| SMILES,Ki | |
| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12,0.1549019599857432 | |
| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1n1cnc2cnc3[nH]ccc3c21,0.3010299956639812 | |
| C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1ncnc2[nH]ccc12,-2.785329835010767 | |
| C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1cnc2cnc3[nH]ccc3c21,-1.0791812460476249 | |
| N#CCC(=O)N1CCC[C@@H](n2cnc3cnc4[nH]ccc4c32)C1,0.3979400086720376 | |
| c1ccc(CN2CC[C@@H](n3cnc4cnc5[nH]ccc5c43)C2)cc1,-1.1760912590556811 | |
| c1ccc(CN2CC(n3cnc4cnc5[nH]ccc5c43)C2)cc1,-1.792391689498254 | |
| c1ccc(CN2CCC(n3cnc4cnc5[nH]ccc5c43)CC2)cc1,-0.380211241711606 | |
| c1cc2c(ncc3ncn(C4CCNCC4)c32)[nH]1,-1.6580113966571124 | |
| c1ncc(CN2CCC(n3cnc4cnc5[nH]ccc5c43)CC2)cn1,-0.3010299956639812 | |
| N#CCC(=O)N1CCC(n2cnc3cnc4[nH]ccc4c32)CC1,-1.2787536009528289 | |
| O=C(c1ccccc1)N1CCC(n2cnc3cnc4[nH]ccc4c32)CC1,-1.255272505103306 | |
| CC(C)CC(=O)N1CCC(n2cnc3cnc4[nH]ccc4c32)CC1,-1.4471580313422192 | |
| O=S(=O)(c1ccccc1)N1CCC(n2cnc3cnc4[nH]ccc4c32)CC1,-0.9822712330395684 | |
| CS(=O)(=O)N1CCC(n2cnc3cnc4[nH]ccc4c32)CC1,-0.0791812460476248 | |
| CCN1CCC(n2cnc3cnc4[nH]ccc4c32)CC1,-1.6989700043360187 | |
| FC(F)(F)CN1CCC(n2cnc3cnc4[nH]ccc4c32)CC1,-0.4623979978989561 | |
| N#CCCN1CCC(n2cnc3cnc4[nH]ccc4c32)CC1,0.2218487496163563 | |
| CN(C)CC(=O)N1CCC(n2cnc3cnc4[nH]ccc4c32)CC1,-1.505149978319906 | |
| CC(C)N1CCC[C@H]1C(=O)N1CCC(n2cnc3cnc4[nH]ccc4c32)CC1,-1.3424226808222062 | |
| CN1CCCC[C@H]1C(=O)N1CCC(n2cnc3cnc4[nH]ccc4c32)CC1,-1.041392685158225 | |
| CC1(n2cnc3cnc4[nH]ccc4c32)CCNCC1,-1.9822712330395684 | |
| CC1(n2cnc3cnc4[nH]ccc4c32)CCN(Cc2cncnc2)CC1,-0.919078092376074 | |
| CC1(n2cnc3cnc4[nH]ccc4c32)CCN(S(C)(=O)=O)CC1,-0.2304489213782739 | |
| CC1(n2cnc3cnc4[nH]ccc4c32)CCN(CC(F)(F)F)CC1,-1.5185139398778875 | |
| CC1(n2cnc3cnc4[nH]ccc4c32)CCN(CCC#N)CC1,-1.6989700043360187 | |
| CC(C)C(=O)N[C@H]1CC[C@H](n2cnc3cnc4[nH]ccc4c32)CC1,-1.041392685158225 | |
| c1cc2c(ncc3ncn([C@H]4CC[C@H](NCC5CC5)CC4)c32)[nH]1,-0.9684829485539352 | |
| N#CCCN[C@H]1CC[C@H](n2cnc3cnc4[nH]ccc4c32)CC1,-0.6532125137753437 | |
| N#Cc1cccc(CN[C@H]2CC[C@H](n3cnc4cnc5[nH]ccc5c43)CC2)c1,-0.7708520116421442 | |
| CS(=O)(=O)N[C@H]1CC[C@H](n2cnc3cnc4[nH]ccc4c32)CC1,-0.4313637641589873 | |
| COC(=O)N[C@H]1CC[C@H](n2cnc3cnc4[nH]ccc4c32)CC1,-0.9777236052888476 | |
| COC(=O)N(C)[C@H]1CC[C@H](n2cnc3cnc4[nH]ccc4c32)CC1,-1.1139433523068367 | |
| COC(=O)N[C@@H]1CC[C@@H](n2cnc3cnc4[nH]ccc4c32)C1,-0.505149978319906 | |
| Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCC[C@H]1O,-1.9542425094393248 | |
| COC(=O)N[C@H]1CC[C@H](n2c(C)nc3cnc4[nH]ccc4c32)CC1,-0.414973347970818 | |
| CC(=O)N[C@H]1CC[C@H](n2c(C)nc3cnc4[nH]ccc4c32)CC1,-0.785329835010767 | |
| Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](NS(C)(=O)=O)CC1,-0.6532125137753437 | |
| Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](NCCC#N)CC1,-0.1760912590556812 | |
| Cc1nc2cnc3[nH]ccc3c2n1C1CCNCC1(F)F,-0.3010299956639812 | |
| Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CCCNC1,-2.1760912590556813 | |
| Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1,-0.4471580313422192 | |
| Cc1nc2cnc3[nH]ccc3c2n1C1CCOCC1,-1.255272505103306 | |
| Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1,-0.1139433523068367 | |
| Cc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1,0.0457574905606751 | |
| Cc1nc2cnc3[nH]ccc3c2n1C1CCN(Cc2ccccc2)CC1,-0.1139433523068367 | |
| Cc1nc2cnc3[nH]ccc3c2n1C1CCNCC1,-1.0 | |
| N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,0.6989700043360187 | |
| CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1C2,0.2218487496163563 | |
| CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1C2,-0.4771212547196624 | |
| CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCCCC1,-0.5185139398778874 | |
| CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCC1,-0.724275869600789 | |
| CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1,-0.3222192947339193 | |
| CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1,-0.414973347970818 | |
| CC(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1,-0.414973347970818 | |
| CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1,-1.0 | |
| CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1O2,-1.4471580313422192 | |
| CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCSC1,-1.0021660617565078 | |
| CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1,-0.6232492903979004 | |
| CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CC(F)(F)F)CC1,-0.6989700043360189 | |
| CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CC(F)(F)F)CC1,-1.0791812460476249 | |
| CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1,-0.2304489213782739 | |
| CC(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1,-0.568201724066995 | |
| CC(C)CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1,-0.7323937598229685 | |
| CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1,-0.8633228601204559 | |
| CCOC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1,-0.9242792860618816 | |
| CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1,-1.2041199826559248 | |
| Cn1ccc(CCc2nc3cnc4[nH]ccc4c3n2C2CCN(CCC#N)CC2)n1,-1.1139433523068367 | |
| N#CCCN1CCC(n2c(CCn3cccn3)nc3cnc4[nH]ccc4c32)CC1,-1.146128035678238 | |
| Cn1ccnc1CCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1,-0.9684829485539352 | |
| N#CCCN1CCC(n2c(CC3CCOCC3)nc3cnc4[nH]ccc4c32)CC1,-1.6334684555795866 | |
| N#CCCN1CCC(n2c(CCC3CCCO3)nc3cnc4[nH]ccc4c32)CC1,-0.9395192526186184 | |
| N#CCCN1CCC(n2c(CC3CCCO3)nc3cnc4[nH]ccc4c32)CC1,-1.380211241711606 | |
| N#CCCN1CCC(n2c(CC3CCCC3)nc3cnc4[nH]ccc4c32)CC1,-1.2041199826559248 | |
| N#CCCN1CCC(n2c(C3CCC3)nc3cnc4[nH]ccc4c32)CC1,-0.6334684555795865 | |
| CC(C)c1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1,-0.9590413923210936 | |
| N#CCCN1CCC(n2c(C3CC3)nc3cnc4[nH]ccc4c32)CC1,-0.4623979978989561 | |
| CCCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1,-0.6627578316815741 | |
| O=C(Nc1ccnc(NC(=O)C2CC2)c1)c1c(Cl)cccc1Cl,-1.9237619608287 | |
| C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1,0.5228787452803376 | |
| C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1,1.0 | |
| C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](NCC(F)F)CC1,-0.041392685158225 | |
| CO[C@H]1CC[C@H](n2c([C@@H](C)O)nc3cnc4[nH]ccc4c32)CC1,-0.6901960800285137 | |
| C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1,-0.4313637641589873 | |
| C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCOCC1,-1.4913616938342726 | |
| C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCN(C(=O)CC(F)(F)F)C1,-1.6334684555795866 | |
| C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCN(C(=O)CC#N)C1,-0.7160033436347992 | |
| CCN1CCC(n2c([C@@H](C)O)nc3cnc4[nH]ccc4c32)C(F)(F)C1,-0.3010299956639812 | |
| C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1,-0.5314789170422551 | |
| C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCN(CC(F)(F)F)CC1,-0.414973347970818 | |
| CC(C)(O)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1,-1.1139433523068367 | |
| OCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1,-0.5440680443502757 | |
| OCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1,-0.041392685158225 | |
| c1ccc(CN2CCC[C@@H](n3nnc4cnc5[nH]ccc5c43)C2)cc1,-1.3979400086720375 | |
| c1cc2c(ncc3nnn(CC4CCNCC4)c32)[nH]1,-2.8721562727482928 | |
| c1cc2c(ncc3nnn(C4CCNCC4)c32)[nH]1,-2.322219294733919 | |
| CC1(n2nnc3cnc4[nH]ccc4c32)CCN(CCC#N)CC1,-2.1931245983544616 | |
| CN1CCC[C@H]1C(=O)N1CCC(n2nnc3cnc4[nH]ccc4c32)CC1,-2.08278537031645 | |
| CC(C)(C)OC(=O)N[C@H]1CC[C@H](n2nnc3cnc4[nH]ccc4c32)CC1,-2.0791812460476247 | |
| N[C@H]1CC[C@H](n2nnc3cnc4[nH]ccc4c32)CC1,-1.3222192947339193 | |
| c1cncc(CN2CCC(n3nnc4cnc5[nH]ccc5c43)CC2)c1,-1.2041199826559248 | |
| COC(=O)N[C@@H]1CC[C@@H](n2nnc3cnc4[nH]ccc4c32)C1,-1.0791812460476249 | |
| COC(=O)N[C@H]1CC[C@H](n2nnc3cnc4[nH]ccc4c32)CC1,-1.0791812460476249 | |
| O[C@H]1CC[C@H](n2nnc3cnc4[nH]ccc4c32)CC1,-1.0791812460476249 | |
| c1ccc(CN2CCC(n3nnc4cnc5[nH]ccc5c43)CC2)cc1,-0.9294189257142929 | |
| CC1(n2nnc3cnc4[nH]ccc4c32)CCN(S(C)(=O)=O)CC1,-0.8976270912904414 | |
| CS(=O)(=O)N1CCC(n2nnc3cnc4[nH]ccc4c32)CC1,-0.7923916894982539 | |
| N#CCCN[C@H]1CC[C@H](n2nnc3cnc4[nH]ccc4c32)CC1,-0.7708520116421442 | |
| CC(C)CC(=O)N[C@H]1CC[C@H](n2nnc3cnc4[nH]ccc4c32)CC1,-0.6720978579357175 | |
| CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](n2nnc3cnc4[nH]ccc4c32)C1,-0.380211241711606 | |
| N#CCCN1CCC(n2nnc3cnc4[nH]ccc4c32)CC1,-0.3222192947339193 | |
| N#CCC(=O)N1CCC[C@@H](n2nnc3cnc4[nH]ccc4c32)C1,-0.1760912590556812 | |
| O=C(Nc1ccncc1)c1ccc(Cl)cc1Cl,-3.662757831681574 | |
| O=C(Nc1ccncc1)c1c(F)cccc1F,-3.4913616938342726 | |
| CC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1,-3.462397997898956 | |
| COC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1,-3.4149733479708178 | |
| CCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1,-3.380211241711606 | |
| O=C(Nc1ccncc1)c1c(Cl)cccc1Cl,-3.342422680822206 | |
| O=C(Nc1ccncc1)c1cc(Cl)ccc1Cl,-3.322219294733919 | |
| O=C(Nc1ccncc1)c1cc(C(F)(F)F)ccc1Cl,-3.3010299956639813 | |
| Nc1cccc(Cl)c1C(=O)Nc1ccncc1,-3.230448921378274 | |
| O=C(Nc1ccncc1)c1c(F)cccc1Cl,-3.230448921378274 | |
| O=C(Nc1ccnc(NC(=O)C2CCC2)c1)c1c(Cl)cccc1Cl,-3.1760912590556813 | |
| O=C(Nc1ccnc2[nH]ccc12)c1c(Cl)cccc1Cl,-3.041392685158225 | |
| O=C(Nc1ccnc(Nc2cccnn2)c1)c1c(Cl)cccc1Cl,-3.0 | |
| O=C(Nc1ccnc(Nc2ccccn2)c1)c1c(Cl)cccc1Cl,-3.0 | |
| O=C(Nc1ccnc(Nc2cnccn2)c1)c1c(Cl)cccc1Cl,-2.690196080028514 | |
| CCNC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1,-2.633468455579586 | |
| CCn1cc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)cn1,-2.5563025007672873 | |
| O=C(Nc1ccnc(Nc2ccncn2)c1)c1c(Cl)cccc1Cl,-2.3010299956639813 | |
| O=C(Nc1ccnc(O)c1)c1c(Cl)cccc1Cl,-2.0 | |
| CN(c1ncnc2c(=O)[nH]ccc12)C1CCCC1,-3.5440680443502757 | |
| CCOC(=O)[C@H]1CCC[C@H]1Nc1ncnc2c(=O)[nH]ccc12,-3.505149978319906 | |
| O=c1[nH]ccc2c(OC3CCCC3)ncnc12,-3.447158031342219 | |
| O=c1[nH]ccc2c(NC3CCCC3CO)ncnc12,-3.0791812460476247 | |
| O=c1[nH]ccc2c(NC3CCOCC3)ncnc12,-2.9508514588885464 | |
| O=c1[nH]ccc2c(NCc3ccccc3)ncnc12,-2.8573324964312685 | |
| CC(C)(C)CNc1ncnc2c(=O)[nH]ccc12,-2.8512583487190755 | |
| O=c1[nH]ccc2c(N[C@@H]3CCCOC3)ncnc12,-2.82020145948564 | |
| O=c1[nH]ccc2c(NCC3CCCC3)ncnc12,-2.808885867359812 | |
| O=c1[nH]ccc2c(Nc3ccc(Cl)cc3)ncnc12,-2.785329835010767 | |
| O=c1[nH]ccc2c(NC3CCCC3O)ncnc12,-2.656098202012832 | |
| N#C[C@H]1CCC[C@H]1Nc1nc(N2CCCCC2)nc2c(=O)[nH]ccc12,-2.643452676486187 | |
| O=c1[nH]ccc2c(NC3(CO)CCCC3)ncnc12,-2.61066016308988 | |
| O=c1[nH]ccc2c(NC3CCCCCC3)ncnc12,-2.5998830720736876 | |
| N#C[C@H]1CCC[C@H]1Nc1nc(N2CCOCC2)nc2c(=O)[nH]ccc12,-2.57978359661681 | |
| O=c1[nH]ccc2c(N[C@@H]3C[C@H]4CC[C@@H]3C4)ncnc12,-2.4955443375464483 | |
| CN(CCO)c1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1,-2.447158031342219 | |
| O=c1[nH]ccc2c(NC3CCCCC3)ncnc12,-2.3710678622717363 | |
| O=c1[nH]ccc2c(NCCC3CCCCC3)ncnc12,-2.1789769472931693 | |
| O=c1[nH]ccc2c(NC3CCC3)ncnc12,-2.0791812460476247 | |
| CC(C)(C)Nc1ncnc2c(=O)[nH]ccc12,-1.9912260756924949 | |
| O=c1[nH]ccc2c(NC3CCCC3)ncnc12,-1.8750612633917 | |
| N#C[C@H]1CCC[C@H]1Nc1nc(-c2ccccc2)nc2c(=O)[nH]ccc12,-1.255272505103306 | |
| CNc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1,-0.6627578316815741 | |
| CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1,-0.4771212547196624 | |
| N#C[C@H]1CCC[C@H]1Nc1nc(-c2cn[nH]c2)nc2c(=O)[nH]ccc12,-0.3010299956639812 | |
| Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(-c2cc(Cl)ccc2C)n1,-0.8692317197309762 | |
| O=C(Nc1c[nH]nc1-n1cc(Cl)ccc1=O)c1cnn2cccnc12,-2.88930170250631 | |
| Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2Cl)n1,-2.041392685158225 | |
| O=C(NC1CCOCC1)c1cnn2ccc(NC3Cc4ccccc4C3)nc12,-1.66838591669 | |
| Cc1ccc(C)c(-c2nn(C)cc2NC(=O)c2cnn3ccc(N)nc23)c1,-0.4623979978989561 | |
| COc1ncc(C#N)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12,-0.6812412373755872 | |
| COc1ccc(Cl)cc1-c1nn(CC(O)(C(F)(F)F)C(F)(F)F)cc1NC(=O)c1cnn2cccnc12,-0.1760912590556812 | |
| CC1CCCCN1c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12,-1.9339931638312424 | |
| Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2cc(Cl)ccc2C)n1,-1.6646419755561257 | |
| COc1ccc(Cl)cc1-c1nn(CC(=O)N2CC=CCC2)cc1NC(=O)c1cnn2cccnc12,0.3010299956639812 | |
| O=C(NC1CCC(O)CC1)c1cnn2ccc(NC3CCc4ccccc43)nc12,-1.4578818967339924 | |
| Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2cc(C#N)ccc2C)n1,-1.6053050461411094 | |
| Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(-c2ccccc2C)n1,-1.4756711883244296 | |
| Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2ccccc2Br)n1,-2.1172712956557644 | |
| COc1ccc(Cl)cc1-c1c(NC(=O)c2c(N)nn3cccnc23)cnn1CC(N)=O,-0.3222192947339193 | |
| COc1ccc(Cl)cc1-c1nc(C)sc1NC(=O)c1cnn2cccnc12,0.1549019599857432 | |
| COc1cnc(C(F)(F)F)cc1-c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12,-1.0791812460476249 | |
| O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1cnn2cccnc12,-3.0791812460476247 | |
| O=C(Nc1ccncc1-c1cccc(F)c1)c1cnn2cccnc12,-2.184691430817599 | |
| COc1ccc(F)cc1-c1nn(CC2(O)CCOCC2)cc1NC(=O)c1cnn2cccnc12,-0.3617278360175928 | |
| COc1ncc(Cl)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12,-0.2041199826559248 | |
| Nc1ccn2ncc(C(=O)Nc3conc3-c3cccc(Cl)c3)c2n1,-1.4533183400470375 | |
| COc1ccc(Cl)cc1-c1c(NC(=O)c2cnn3cccnc23)cnn1CCO,-0.6434526764861874 | |
| Nc1ccn2ncc(C(=O)Nc3ccnn3-c3cc(Cl)ccc3Cl)c2n1,-1.24551266781415 | |
| O=C(Nc1ccnn1-c1ccccc1Cl)c1cnn2cccnc12,-1.92272545799326 | |
| CCOc1ccc(Cl)cc1-c1nn([C@H]2CCCC[C@@H]2O)cc1NC(=O)c1cnn2cccnc12,-0.5797835966168101 | |
| Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3Cl)c2n1,-0.4471580313422192 | |
| Cc1cc(NC(=O)c2cnn3ccc(Nc4cccc(C(F)(F)F)c4)nc23)on1,-1.5563025007672873 | |
| COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCCC2C)cc1NC(=O)c1cnn2cccnc12,0.1549019599857432 | |
| COc1ccc(C#N)cc1-c1nn(Cc2nncn2C)cc1NC(=O)c1cnn2cccnc12,-0.6232492903979004 | |
| Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2cc(Cl)ccc2Cl)n1,-1.545307116465824 | |
| N#CC1CCN(c2n[nH]cc2NC(=O)c2cnn3cccnc23)CC1,-2.24551266781415 | |
| Cc1nc(-c2ccccc2C)c(NC(=O)c2cnn3ccc(N)nc23)s1,-1.1818435879447726 | |
| COc1ccc(C#N)cc1-c1nn(CC2(O)CCCC2)cc1NC(=O)c1cnn2cccnc12,-0.0 | |
| COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1,-2.2355284469075487 | |
| O=C(Nc1cn(C2CCNCC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.2095150145426309 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(C2CCNCC2)nc1-c1cc(Cl)ccc1OC(F)F,0.1426675035687315 | |
| CN1C[C@H]2CN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)C[C@H]2C1,0.1023729087095585 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CNC[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.1804560644581313 | |
| CCN1C[C@H]2CN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)C[C@H]2C1,0.0757207139381183 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.1487416512809247 | |
| CN1C[C@H]2CN(C(=O)Cn3cc(NC(=O)c4cnn5ccc(N)nc45)c(-c4cc(Cl)ccc4OC(F)F)n3)C[C@H]2C1,-0.041392685158225 | |
| Cc1cnc2c(C(=O)Nc3cn(CC(=O)N4C[C@@H]5CN(C)C[C@@H]5C4)nc3-c3cc(Cl)ccc3OC(F)F)cnn2c1,-1.9838066419784153 | |
| CN1CC2CN(C(=O)Cn3cc(NC(=O)c4c(N)nn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2C1,0.1487416512809247 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CC3CNCC3C2)nc1-c1cc(Cl)ccc1OC(F)F,0.1870866433571444 | |
| CCN1CC2CN(C(=O)Cn3cc(NC(=O)c4c(N)nn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2C1,-0.021189299069938 | |
| CC(C)N1C[C@H]2CN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)C[C@H]2C1,-0.1139433523068367 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CN(CCc4ccccc4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.1366771398795441 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CN(CCCO)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.0569048513364725 | |
| O=C(Nc1cn(CC(=O)N2C[C@H]3CN(C(=O)OCCCO)C[C@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.2757241303992109 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CCN(C(=O)OCc5ccccc5)CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.1487416512809247 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CN(CCCN4CCCC4=O)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.2518119729937995 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CN(CCCN4CCOCC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.1426675035687315 | |
| O=C(Nc1cn(CC(=O)N2CC[C@@H]3CNCC[C@@H]32)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.2924298239020636 | |
| O=C(Nc1cn(CC(=O)N2CC[C@H]3CNC[C@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.3279021420642826 | |
| CC(=O)N1CCC(CN2C[C@H]3CN(C(=O)Cn4cc(NC(=O)c5cnn6cccnc56)c(-c5cc(Cl)ccc5OC(F)F)n4)C[C@H]3C2)CC1,0.0268721464003013 | |
| CCOC(=O)N1CCC(CN2C[C@H]3CN(C(=O)Cn4cc(NC(=O)c5cnn6cccnc56)c(-c5cc(Cl)ccc5OC(F)F)n4)C[C@H]3C2)CC1,0.1549019599857432 | |
| CN1C[C@H]2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)C[C@H]2C1,0.1804560644581313 | |
| O=C(Nc1cn(CC(=O)N2CC[C@H]3CN(CC4CCOCC4)C[C@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.1135092748275181 | |
| CS(=O)(=O)CCCN1C[C@H]2CN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)C[C@H]2C1,0.3372421683184259 | |
| CC(C)CN1C[C@H]2CN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)C[C@H]2C1,0.0861861476162833 | |
| CS(=O)(=O)CCN1C[C@H]2CN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)C[C@H]2C1,0.431798275933005 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CN(CCCN4CCOC4=O)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.3372421683184259 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CCC(F)(F)CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.1804560644581313 | |
| CS(=O)(=O)N1CCC(CN2C[C@H]3CN(C(=O)Cn4cc(NC(=O)c5cnn6cccnc56)c(-c5cc(Cl)ccc5OC(F)F)n4)C[C@H]3C2)CC1,0.3279021420642826 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CCN(C(=O)C5CCOCC5)CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.2924298239020636 | |
| CN(C)C(=O)N1CCC(CN2C[C@H]3CN(C(=O)Cn4cc(NC(=O)c5cnn6cccnc56)c(-c5cc(Cl)ccc5OC(F)F)n4)C[C@H]3C2)CC1,0.0757207139381183 | |
| CN1C[C@H]2[C@@H](c3ccccc3)N(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)[C@@H](CO)[C@H]2C1,-0.041392685158225 | |
| COCCCN1C[C@H]2CN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)C[C@H]2C1,0.0555173278498313 | |
| CC1(CN2C[C@H]3CN(C(=O)Cn4cc(NC(=O)c5cnn6cccnc56)c(-c5cc(Cl)ccc5OC(F)F)n4)C[C@H]3C2)COC1,0.2596373105057561 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CCC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.1870866433571444 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CN(CC4(O)CCCCC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.2365720064370627 | |
| N#CC1(CN2C[C@H]3CN(C(=O)Cn4cc(NC(=O)c5cnn6cccnc56)c(-c5cc(Cl)ccc5OC(F)F)n4)C[C@H]3C2)CCCCC1,0.4814860601221125 | |
| CC(C)(O)CCN1C[C@H]2CN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)C[C@H]2C1,0.00436480540245 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CN(CCCOC(=O)N4CCOCC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.0374264979406236 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CCCCC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.1870866433571444 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CN(CCCN4C(=O)Cc5ccccc54)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.1191864077192086 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CN(CCCOC(=O)C4CCC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.0705810742857072 | |
| CN1CCC2CN(C(=O)Cn3cc(NC(=O)c4c(N)nn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CCC21,0.1307682802690238 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F,0.2291479883578558 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2C[C@@H]3CN(CC4CCC(F)(F)CC4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F,0.2218487496163563 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CN(CC(F)(F)F)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.3010299956639812 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CN(CCOCc4ccc(Cl)cc4)C[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.041392685158225 | |
| CN(CCC#N)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.4685210829577448 | |
| CN(C)C1CN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)C1,0.1804560644581313 | |
| CN(C)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)C1,0.2676062401770315 | |
| NC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2365720064370627 | |
| CN(C)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.0506099933550872 | |
| COCCN(C)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1307682802690238 | |
| O=C(Nc1cn(CC(=O)N2CCC(N3CCCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.0655015487564322 | |
| CN(C)CC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1739251972991735 | |
| CN(C)CCOC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1487416512809247 | |
| CN(C)CC1(O)CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.0132282657337551 | |
| CCNC1CCN(C(=O)Cn2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1804560644581313 | |
| CN(C)CC1(c2ccccc2)CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3665315444204134 | |
| NC[C@@H]1CCCN1C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,-0.7283537820212285 | |
| CN(C)C[C@@H]1CCCN(C(=O)Cn2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)C1,-0.0681858617461616 | |
| CNC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.0293837776852096 | |
| O=C(Nc1cn(CC(=O)N2CCC(NC3CCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.0409586076789063 | |
| CN(CCc1ccccc1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.0655015487564322 | |
| CN(CCc1ccccn1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1426675035687315 | |
| N#CCCNC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3979400086720376 | |
| CN(C)C(=O)CCCN(C)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.2355284469075489 | |
| O=C(Nc1cn(CC(=O)N2CCC(NCCc3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.0555173278498313 | |
| CN(CCc1ccc(O)cc1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.0222763947111522 | |
| O=C(Nc1cn(CC(=O)N2CCC(NCCc3ccc(O)cc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.1249387366082999 | |
| O=C(Nc1cn(CC(=O)N2CCC(NCCc3ccc(Cl)cc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.0362121726544447 | |
| O=C(Nc1cn(CC(=O)N2CCC(NCCc3ccc(C(F)(F)F)cc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.1072099696478683 | |
| CN(CCc1ccc(Cl)cc1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.0791812460476248 | |
| COc1ccc(CCN(C)C2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)cc1,0.0969100130080563 | |
| CN(CC1(C)COC1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2006594505464183 | |
| CN(CCc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.0644579892269184 | |
| CN(Cc1ccccc1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1023729087095585 | |
| CN(CC(F)(F)F)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3979400086720376 | |
| CN(CCOc1ccccc1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.0757207139381183 | |
| CN(CCC1CCCCC1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1739251972991735 | |
| CN(CC(F)(F)c1ccccc1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2076083105017461 | |
| O=C(Nc1cn(CC(=O)N2CCC(N(CCc3ccccc3)CC(F)(F)F)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.5998830720736879 | |
| CN(CCOc1ccc(Br)cc1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.0315170514460648 | |
| CN(CCOc1ccccc1Br)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.1613680022349748 | |
| CN(CCOc1ccccc1Cl)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.0374264979406236 | |
| CN(CCOc1ccc(Cl)cc1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.0132282657337551 | |
| CCCCN(CCOc1ccc(C)cc1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.3926969532596657 | |
| C=CCN(CCOc1ccc(C)cc1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.5078558716958309 | |
| Cc1ccc(OCCN(C)C2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)cc1,-0.0170333392987803 | |
| O=C(Nc1cn(CC(=O)N2CCC(CN3CCC(F)(F)CC3)(c3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.4913616938342727 | |
| CN(CC1Oc2ccccc2O1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3467874862246563 | |
| CN(Cc1cccc(Oc2ccccc2)c1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.0755469613925307 | |
| CN(CC1(C#N)CCCCC1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2839966563652008 | |
| CCCCN(CC(F)(F)F)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.1072099696478683 | |
| O=C(Nc1cn(CC(=O)N2CCC(N(Cc3ccccc3)CC(F)(F)F)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.5751878449276611 | |
| CC1(CN(CCC(F)(F)F)C2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)COC1,0.2924298239020636 | |
| O=C(Nc1cn(CC(=O)N2CCC(N(CCC(F)(F)F)Cc3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.4099331233312945 | |
| CN(Cc1ccc(Br)cc1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.08278537031645 | |
| CN(Cc1ccc(C(C)(C)C)cc1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.5228787452803376 | |
| CN(Cc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.619788758288394 | |
| CN(Cc1cccc(Br)c1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.5686362358410126 | |
| CN(CCCc1ccccc1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.3483048630481606 | |
| C[N+](C)(CCCc1ccccc1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.08278537031645 | |
| CC(C)Oc1ccc(CN(C)C2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)cc1,0.2146701649892329 | |
| CN(Cc1ccc(Cl)cc1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2006594505464183 | |
| CCCCOc1ccc(CN(C)C2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)cc1,0.1079053973095195 | |
| CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.0492180226701816 | |
| Cc1ccc(CN(C)C2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)c(C)c1,-0.0569048513364725 | |
| CN(Cc1ccc2ccccc2c1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.041392685158225 | |
| CN(Cc1ccc(F)c(Br)c1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.0293837776852096 | |
| O=C(Nc1cn(CC(=O)N2CCC(NC(c3ccccc3)C(F)(F)F)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.2441251443275086 | |
| CN(C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1)C(Cc1ccccc1)C(F)(F)F,-0.8135809885681919 | |
| CN(CC(C)(F)F)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.4814860601221125 | |
| O=C(Nc1cn(CC(=O)N2CCC(N3Cc4ccc(Cl)cc4C3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.2839966563652008 | |
| CN(C)C1CCN(C(=O)Cn2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)C1,0.1938200260161128 | |
| CN(C)CCOC1CCN(C(=O)Cn2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2757241303992109 | |
| CN(C)C1CN(C(=O)Cn2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)C1,0.2839966563652008 | |
| CN(C)C1CCN(C(=O)Cn2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1079053973095195 | |
| CN(CCO)C1CCN(C(=O)Cn2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3372421683184259 | |
| COCCN(C)C1CCN(C(=O)Cn2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1674910872937636 | |
| CC(=O)NCCCN1CCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.2174839442139062 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(C2CCN(CCCC(=O)N3CCCCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F,0.1191864077192086 | |
| CC(=O)N1CCC(N2CCC(n3cc(NC(=O)c4c(N)nn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1,0.2676062401770315 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(C2CCN(CCCNC(=O)c3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F,0.2441251443275086 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(C2CCN(CCCN3CCCC3=O)CC2)nc1-c1cc(Cl)ccc1OC(F)F,0.3467874862246563 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(C2CCN(CCCC(=O)N3CCOCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F,0.2596373105057561 | |
| CN(C)C(=O)CCCN1CCC(n2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1938200260161128 | |
| CNC(=O)CCCN1CCC(n2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.0915149811213502 | |
| CC(=O)NCCCN1CCC(n2cc(NC(=O)/C(C(=N)N)=C3\N=CC=CN3)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1366771398795441 | |
| CN(CCCN1CCC(n2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1)C(=O)c1ccccc1,-0.3010299956639812 | |
| O=C(CCCN1CCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1)NC1CCOCC1,-0.0334237554869497 | |
| O=C(CCCN1CCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1)NC1COC1,-0.1903316981702915 | |
| CN1CCN(CCCN2CCC(n3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)C1=O,-0.1522883443830564 | |
| O=C(Nc1cn(C2CCN(CCCN3CCCC3=O)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.1931245983544616 | |
| CCNC(=O)CCCN1CCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.1846914308175988 | |
| CNC(=O)CN1CCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.1205739312058499 | |
| O=C(Nc1cn(C2CCN(CCCN3CCOCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.3263358609287514 | |
| O=C(Nc1cn(C2CCN(CCCN3CCSCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.3654879848908996 | |
| CNC(=O)CCN1CCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.4800069429571506 | |
| O=C(Nc1cn(C2CCN(CCCN3CCS(=O)(=O)CC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.0899051114393979 | |
| NC(=O)CCCN1CCC(n2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2291479883578558 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(C2CCN(CCCN3CCNC3=O)CC2)nc1-c1cc(Cl)ccc1OC(F)F,0.1611509092627447 | |
| CN1CCN(CCCN2CCC(n3cc(NC(=O)c4c(N)nn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)C1=O,0.3565473235138126 | |
| NC(=O)CCN1CCC(n2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.4202164033831898 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(C2CCN(CCCN3CCN(Cc4ccccc4)C3=O)CC2)nc1-c1cc(Cl)ccc1OC(F)F,0.0409586076789063 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(C2CCN(CCCC(=O)NCc3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F,0.2757241303992109 | |
| CNC(=O)CCCN1CCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.167317334748176 | |
| O=C(Nc1cn(C2CCN(CCCC(=O)N3CCOCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.0644579892269184 | |
| NC(=O)CCCN1CCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.2227164711475832 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(C2CCCNCC2)nc1-c1cc(Cl)ccc1OC(F)F,0.1426675035687315 | |
| CN1CCCC(n2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.0555173278498313 | |
| CC(=O)N1CCC(CN2CCC(n3cc(NC(=O)c4c(N)nn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1,0.2365720064370627 | |
| CC(C)CN1CCC(n2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1739251972991735 | |
| CCOC(=O)CCCN1CCC(n2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1079053973095195 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(C2CCN(CCCO)CC2)nc1-c1cc(Cl)ccc1OC(F)F,0.1674910872937636 | |
| CS(=O)(=O)CCCN1CCC(n2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3467874862246563 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(C2CCN(Cc3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F,-0.0899051114393979 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(C2CCN(CCCCc3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F,-0.4828735836087537 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(C2CCN(CCOCc3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F,-0.0969100130080564 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(C2CCN(CCCCOCCc3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F,-0.2988530764097066 | |
| CN1CCC(n2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1191864077192086 | |
| CN(CC1(C#N)CCCCC1)C1CCN(C(=O)c2ccc(-n3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)cc2)CC1,-0.8481891169913987 | |
| CN(C)C1CCN(c2nc(-c3cc(Cl)ccc3OC(F)F)c(NC(=O)c3cnn4cccnc34)s2)CC1,-0.1003705451175629 | |
| CN(CCC#N)C1CCN(c2nc(-c3cc(Cl)ccc3OC(F)F)c(NC(=O)c3cnn4cccnc34)s2)CC1,-0.4132997640812518 | |
| CN(C)CC1CCN(c2nc(-c3cc(Cl)ccc3OC(F)F)c(NC(=O)c3cnn4cccnc34)s2)CC1,-0.4297522800024079 | |
| CN(C)CCC1CCN(c2nc(-c3cc(Cl)ccc3OC(F)F)c(NC(=O)c3cnn4cccnc34)s2)CC1,-0.4668676203541094 | |
| CN(CCc1ccccc1)C1CCN(c2nc(-c3cc(Cl)ccc3OC(F)F)c(NC(=O)c3cnn4cccnc34)s2)CC1,-0.6989700043360189 | |
| CN(CCCC(N)=O)C1CCN(c2nc(-c3cc(Cl)ccc3OC(F)F)c(NC(=O)c3cnn4cccnc34)s2)CC1,-0.3483048630481606 | |
| O=C(Nc1sc(N2CCC(N3CC(F)C3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.3579348470004537 | |
| O=C(Nc1sc(N2CC(N3CCCCC3)C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.1335389083702175 | |
| O=C(Nc1sc(N2CCC(N3CC(F)(F)C3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.2405492482825997 | |
| CN(C)C1CCN(C(=O)C2CCN(c3nc(-c4cc(Cl)ccc4OC(F)F)c(NC(=O)c4cnn5cccnc45)s3)CC2)CC1,0.0506099933550872 | |
| CN(CC(F)(F)F)C1CCN(c2nc(-c3cc(Cl)ccc3OC(F)F)c(NC(=O)c3cnn4cccnc34)s2)CC1,-0.4345689040341987 | |
| CCCCN(C)C1CCN(c2nc(-c3cc(Cl)ccc3OC(F)F)c(NC(=O)c3cnn4cccnc34)s2)CC1,-0.0863598306747482 | |
| CN(CC1(C)COC1)C1CCN(c2nc(-c3cc(Cl)ccc3OC(F)F)c(NC(=O)c3cnn4cccnc34)s2)CC1,-0.093421685162235 | |
| CN(Cc1ccccc1)C1CCN(c2nc(-c3cc(Cl)ccc3OC(F)F)c(NC(=O)c3cnn4cccnc34)s2)CC1,-0.7032913781186614 | |
| CN(CC(F)(F)F)C1CCN(C(=O)C2CCN(c3nc(-c4cc(Cl)ccc4OC(F)F)c(NC(=O)c4cnn5cccnc45)s3)CC2)CC1,-0.041392685158225 | |
| CN(CC1(C#N)CCCCC1)C1CCN(c2nc(-c3cc(Cl)ccc3OC(F)F)c(NC(=O)c3cnn4cccnc34)s2)CC1,-0.7387805584843692 | |
| CN(CC1(C#N)CCCCC1)C1CCN(C(=O)C2CCN(c3nc(-c4cc(Cl)ccc4OC(F)F)c(NC(=O)c4cnn5cccnc45)s3)CC2)CC1,-0.3010299956639812 | |
| CN1CCN(c2nc(-c3cc(Cl)ccc3OC(F)F)c(NC(=O)c3cnn4cccnc34)s2)CC1,0.0969100130080563 | |
| O=C(Nc1sc(N2CCN(CCc3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-1.1473671077937864 | |
| O=C(Nc1sc(N2CCN(CC3CC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.0043213737826425 | |
| O=C(Nc1sc(N2CCN(CC(F)(F)F)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.1398790864012364 | |
| CN(C)CC#Cc1nc(-c2cc(Cl)ccc2OC(F)F)c(NC(=O)c2cnn3cccnc23)s1,0.1079053973095195 | |
| CCCCN(C)CC#Cc1nc(-c2cc(Cl)ccc2OC(F)F)c(NC(=O)c2cnn3cccnc23)s1,0.7958800173440752 | |
| CN1CCC2(C1)CN(C(=O)Cn1cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n1)C2,-0.041392685158225 | |
| CN1CCC2(CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)C2)C1,0.0409586076789063 | |
| CN1CCC2(CC1)CN(C(=O)Cn1cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n1)CCO2,-0.173186268412274 | |
| CN1CC2(C1)CN(C(=O)Cn1cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n1)C2,-0.0681858617461616 | |
| CN1CCC2C(C1)OCCN2C(=O)Cn1cc(NC(=O)c2c(N)nn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,-0.1238516409670858 | |
| CN1CCC2(CC1)CN(C(=O)Cn1cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n1)C2,-0.0530784434834196 | |
| O=C(Nc1cn(CC(=O)N2CC3(CCNCC3)C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.0293837776852096 | |
| CN1CC2(CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)C1,-0.0043213737826425 | |
| O=C(Nc1cn(CC(=O)N2CCC3(CNC3)C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.2518119729937995 | |
| O=C(Nc1cn(CC(=O)N2CC3(CCNC3)C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.0863598306747482 | |
| CN1CC2(CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)C2)C1,0.0362121726544447 | |
| CN1CCC2(CC1)CCN(C(=O)Cn1cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n1)C2,0.2676062401770315 | |
| O=C(Nc1cn(CC(=O)N2CCC3(CCNC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.3565473235138126 | |
| CN1CCC2(CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)C1,0.2518119729937995 | |
| CC(C)CN1CCC2(CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)C1,0.4089353929735008 | |
| O=C(Nc1cn(CC(=O)N2CCC3(CCN(CC4CCN(C(=O)OCc5ccccc5)CC4)C3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.3872161432802645 | |
| CN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2596373105057561 | |
| O=C(Nc1cn(CC(=O)N2CCN(CCO)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.3279021420642826 | |
| COCCN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.4202164033831898 | |
| O=C(Nc1cn(CC(=O)N2CCN(CCCO)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.2146701649892329 | |
| O=C(Nc1cn(CC(=O)N2CCN(CCOCCO)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.2676062401770315 | |
| CS(=O)(=O)CCN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1307682802690238 | |
| CCN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1079053973095195 | |
| O=C(Nc1cn(CC(=O)N2CCN(c3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.3872161432802645 | |
| N#Cc1ccc(N2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)cc1,0.494850021680094 | |
| N#Cc1ccc(CN2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)cc1,0.3467874862246563 | |
| CN1CCCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.1903316981702915 | |
| O=C(Nc1cn(CC(=O)N2CCCN(CCO)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.0 | |
| O=C(Nc1cn(CC(=O)N2CCN3CCCCC3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.0604807473813814 | |
| CN1[C@H]2CC[C@@H]1CN(C(=O)Cn1cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n1)C2,0.0222763947111522 | |
| CN1CCN(C(=O)Cn2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3098039199714863 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCN(CCO)CC2)nc1-c1cc(Cl)ccc1OC(F)F,0.3098039199714863 | |
| COCCN1CCN(C(=O)Cn2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.4559319556497244 | |
| CN1CCCN(C(=O)Cn2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.0334237554869497 | |
| CCN1CCN(C(=O)Cn2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2596373105057561 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCN(CC3CC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F,0.2076083105017461 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCNCC2)nc1-c1cc(Cl)ccc1OC(F)F,0.1366771398795441 | |
| C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)C[C@@H](C)N1,0.0809219076239261 | |
| CN(C)C1CCN(C(=O)c2ccc(-c3nc(-c4cc(Cl)ccc4OC(F)F)c(NC(=O)c4cnn5cccnc45)s3)cc2)CC1,0.2518119729937995 | |
| O=C(Nc1sc(-c2ccncc2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.2121876044039577 | |
| CN(C)Cc1ccc(-c2nc(-c3cc(Cl)ccc3OC(F)F)c(NC(=O)c3cnn4cccnc34)s2)cc1,0.2518119729937995 | |
| O=C(Nc1sc(-c2ccc(CN3CC(F)C3)cc2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.1172712956557642 | |
| O=C(Nc1sc(-c2ccc(CN3CC(F)(F)C3)cc2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.4668676203541094 | |
| CN1CCN(c2ccc(-c3nc(-c4cc(Cl)ccc4OC(F)F)c(NC(=O)c4cnn5cccnc45)s3)cc2)CC1,-0.0681858617461616 | |
| CN1CCN(C(=O)c2ccc(-c3nc(-c4cc(Cl)ccc4OC(F)F)c(NC(=O)c4cnn5cccnc45)s3)cc2)CC1,0.0315170514460648 | |
| CN(C)C1CCN(Cc2nc(-c3cc(Cl)ccc3OC(F)F)c(NC(=O)c3cnn4cccnc34)s2)CC1,-0.8887409606828927 | |
| CN(CCc1ccccc1)Cc1nc(-c2cc(Cl)ccc2OC(F)F)c(NC(=O)c2cnn3cccnc23)s1,-1.252853030979893 | |
| CN1C[C@H]2CN(Cc3nc(-c4cc(Cl)ccc4OC(F)F)c(NC(=O)c4cnn5cccnc45)s3)C[C@H]2C1,-0.7664128471123994 | |
| O=C(Nc1sc(CN2CCCCC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.1760912590556812 | |
| CN1C[C@H]2CN(C(=O)c3nc(-c4cc(Cl)ccc4OC(F)F)c(NC(=O)c4cnn5cccnc45)s3)C[C@H]2C1,-0.4297522800024079 | |
| CN(C)C1CCN(C(=O)c2nc(-c3cc(Cl)ccc3OC(F)F)c(NC(=O)c3cnn4cccnc34)s2)CC1,-0.5599066250361124 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(CO)CC2)nc1-c1cc(Cl)ccc1OC(F)F,0.619788758288394 | |
| O=C(Nc1cn(CC(=O)N2CCC[C@H]2C(O)CO)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.1804560644581313 | |
| O=C(Nc1cn(CC(=O)N2CCC[C@H]2CO)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.3098039199714863 | |
| CC1(O)CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)C1,0.4814860601221125 | |
| O=C(Nc1cn(CC(=O)N2CCC(O)(CO)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.4814860601221125 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCOC(CO)C2)nc1-c1cc(Cl)ccc1OC(F)F,0.3098039199714863 | |
| O=C(Nc1cn(CC(=O)N2CCC(CO)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.4685210829577448 | |
| O=C(Nc1cn(CC(=O)N2CCC(OCCO)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.5086383061657274 | |
| O=C(Nc1cn(CC(=O)N2CCC(O)(c3ccncc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.638272163982407 | |
| O=C(Nc1cn(CC(=O)N2CCOC(CO)C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.2924298239020636 | |
| O=C(Nc1cn(CC(=O)N2CCC(O)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.619788758288394 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(O)(Cc3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F,0.4089353929735008 | |
| CC1(O)CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.4089353929735008 | |
| N#CC1(c2ccccc2)CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3187587626244128 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(F)(F)C2)nc1-c1cc(Cl)ccc1OC(F)F,0.7695510786217261 | |
| N#CC1(c2ccccc2)CCN(C(=O)Cn2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2596373105057561 | |
| O=C(Nc1cn(CC(=O)N2CC=CCC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.8239087409443188 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(Oc3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F,0.2146701649892329 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(O)(c3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F,0.2676062401770315 | |
| O=C(Nc1cn(CC(=O)N2CCC(F)(F)C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.4559319556497244 | |
| O=C(Nc1cn(CC(=O)N2CCOCC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.2365720064370627 | |
| O=C(Nc1cn(CC(=O)N2CCC(O)(c3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.5228787452803376 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCOCC2)nc1-c1cc(Cl)ccc1OC(F)F,0.619788758288394 | |
| O=C(Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1)NCC1(CO)CC1,0.2676062401770315 | |
| O=C(Nc1cn(CC2(O)CCCC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.4089353929735008 | |
| CN(C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1)C1(CO)CC1,0.5376020021010439 | |
| COCCNCCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,0.0506099933550872 | |
| NCCn1cc(NC(=O)c2c(N)nn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,0.3098039199714863 | |
| CN[C@@H]1CCC[C@H](n2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)C1,0.585026652029182 | |
| Nc1nn2cccnc2c1C(=O)Nc1cn([C@H]2C[C@@H](N)C2)nc1-c1cc(Cl)ccc1OC(F)F,0.494850021680094 | |
| CN[C@H]1C[C@@H](n2cc(NC(=O)c3c(N)nn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)C1,0.2839966563652008 | |
| CCN(Cc1ccnc(C)c1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,0.4202164033831898 | |
| CCN(Cc1ccnc(Cl)c1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,0.5528419686577808 | |
| CCN(Cc1cccnc1)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,0.4814860601221125 | |
| CN(C)C1CCN(C(=O)c2ccc(-n3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)cc2)CC1,0.2218487496163563 | |
| CN(CC(F)(F)F)C1CCN(C(=O)c2ccc(-n3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)cc2)CC1,-0.2787536009528289 | |
| N=C(N)CCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,0.1079053973095195 | |
| N=C(N)CCCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,0.2146701649892329 | |
| CCOC(=O)CNCCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,-0.0606978403536116 | |
| O=C(CNCCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1)OC1CCCC1,-0.1613680022349748 | |
| O=C(Nc1cn(CC(=O)N2CCCCC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.619788758288394 | |
| CCOC(=O)[C@@H](N)CCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,-0.1271047983648076 | |
| O=C(O)CN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2839966563652008 | |
| O=C(O)CNC1CCN(CCn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.0969100130080564 | |
| CSCCNCCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,0.3979400086720376 | |
| O=C(Nc1cn(CCNCc2ccccc2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.6777807052660807 | |
| O=C(Nc1cn(CCNCc2ccccn2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.2076083105017461 | |
| O=C(Nc1cn(CCNCc2ccncc2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.1426675035687315 | |
| CC(c1ccccc1)N1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3187587626244128 | |
| CC(C)CN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1938200260161128 | |
| CC1(CN2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)COC1,0.2518119729937995 | |
| CCCN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3010299956639812 | |
| O=C(Nc1cn(CC(=O)N2CCN(Cc3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.5086383061657274 | |
| O=C(Nc1cn(CC(=O)N2CCN(CCN3CCOCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.3979400086720376 | |
| COC(=O)CN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.5086383061657274 | |
| O=C1CCC(Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)O1,0.1674910872937636 | |
| O=C(Nc1cn(CC(=O)N2CCNCC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.0222763947111522 | |
| CN(C)C(=O)CN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3872161432802645 | |
| O=C(Nc1cn(CCNCc2ccccc2O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.6777807052660807 | |
| O=C(Nc1cn(CCNCc2cccc(O)c2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.6020599913279624 | |
| O=C(Nc1cn(CCNCc2ccc(O)cc2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.6777807052660807 | |
| COC(=O)CNC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.5228787452803376 | |
| O=C(Nc1cn(CC(=O)N2CCC(N3CCC(O)CC3=O)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.4089353929735008 | |
| COC(=O)CCN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.4089353929735008 | |
| CCOC(=O)CCN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3098039199714863 | |
| COC(=O)C1CCN(CCN2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1,0.1611509092627447 | |
| CCOC(=O)C1CCN(CCN2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1,0.1611509092627447 | |
| COC(=O)C1(C)CCN(CCN2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1,0.0757207139381183 | |
| O=C(Nc1cn(CC(=O)N2CCC(C(=O)OCCN3CCOCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.3098039199714863 | |
| CCOC(=O)C1(C)CCN(CCN2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1,0.0809219076239261 | |
| CN(C)CCOC(=O)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.4436974992327127 | |
| CC1(C(=O)OCCN2CCOCC2)CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3872161432802645 | |
| CN(C)CCOC(=O)C1(C)CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3565473235138126 | |
| O=C(Nc1cn(CC(=O)N2CCC(C(=O)OCC3CCNCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.2757241303992109 | |
| O=C(Nc1cn(CC(=O)N2CCC(C(=O)O)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.721246399047171 | |
| CN(CC1CCC(=O)O1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1549019599857432 | |
| COC(=O)CCN(C)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2291479883578558 | |
| CSc1ccc(CNCCn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)cc1,0.431798275933005 | |
| O=C1CC(N2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CCO1,0.4089353929735008 | |
| O=C(Nc1cn(CC(=O)N2CCC(CN3CCOCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.3979400086720376 | |
| CN1CCN(C2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1,0.2596373105057561 | |
| CN1CCN(CC2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1,0.3665315444204134 | |
| O=C1C=C(CN2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CO1,0.3372421683184259 | |
| CN(CC1=CC(=O)OC1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.4814860601221125 | |
| O=C(O)CCN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.494850021680094 | |
| CCOC(=O)CN(CCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1)Cc1cccnc1,-0.7024305364455253 | |
| O=C(O)CN(CCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1)Cc1cccnc1,-0.6180480967120927 | |
| CCOC(=O)CNC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1135092748275181 | |
| O=C(O)CNC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3872161432802645 | |
| CCOC(=O)CN1CCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.0293837776852096 | |
| O=C(Nc1cn(CCNCc2ncco2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.0809219076239261 | |
| O=C(Nc1cn(CCNCc2cccnc2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.1426675035687315 | |
| CN[C@@H](C)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,-0.0530784434834196 | |
| C[C@@H](Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1)N(C)C,-0.1367205671564068 | |
| CCN[C@@H](C)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,-0.0569048513364725 | |
| CSCCN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.6020599913279624 | |
| CC(C)N1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1549019599857432 | |
| O=C(Nc1cn(CC(=O)N2CCN(CC3CC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.3467874862246563 | |
| CC1CN(C)CCN1C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,0.1249387366082999 | |
| CC1CN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CCN1C,0.1804560644581313 | |
| CN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)C(C)(C)C1,0.2518119729937995 | |
| CN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1(C)C,0.0315170514460648 | |
| CN(C)CCN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.0655015487564322 | |
| O=C(Nc1cn(CC(=O)N2CCN(Cc3ncco3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.5228787452803376 | |
| O=C1CCC(CNCCn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)O1,-0.0293837776852096 | |
| O=C1CCC(CN2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)O1,0.4685210829577448 | |
| CNC(=O)CN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.4089353929735008 | |
| COC(=O)CNCCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,-0.0253058652647702 | |
| COC(=O)[C@@H](N)CCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,-0.093421685162235 | |
| CN1CCC(COC(=O)C2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1,0.2924298239020636 | |
| CN1CCC(COC(=O)C2(C)CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1,0.3979400086720376 | |
| CN(CCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1)CC1CCC(=O)O1,-0.1072099696478683 | |
| CCOC(=O)CCN(C)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.0409586076789063 | |
| O=C1CC(N2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CO1,0.3979400086720376 | |
| O=C(Nc1cn(CC(=O)N2CCN(N3CCOCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.4202164033831898 | |
| O=C(Nc1cn(C/C=C/CN2CCOCC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.0604807473813814 | |
| CN1CCN(C/C=C/Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.1105897102992489 | |
| CSCCOC(=O)CNCCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,-0.5171958979499743 | |
| CCOC(=O)CN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.5528419686577808 | |
| CN1CCN(C(=O)C2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1,0.3010299956639812 | |
| CN(C)C(=O)CN(C)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2365720064370627 | |
| CN(C)C(=O)CNC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1249387366082999 | |
| O=C(Nc1cn(CC(O)CN2CCOCC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.1643528557844371 | |
| CN(C)CC(O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,-0.2253092817258628 | |
| O=C(Nc1cn(CC(O)CN2CCCCC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.2380461031287954 | |
| N#CCCN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3372421683184259 | |
| O=C1CN(C2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CCN1,0.4436974992327127 | |
| O=C(Nc1cn(CC(=O)N2CCC(C(=O)N3CCNCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.2291479883578558 | |
| N#CC1CCN(C2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)C1,0.4436974992327127 | |
| CC1(N2CCOCC2)CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2218487496163563 | |
| CN(C)CC(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,-0.2304489213782739 | |
| O=C(CN1CCOCC1)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,-0.2304489213782739 | |
| CC(C#N)CN(C)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.6020599913279624 | |
| N#C[C@H]1CCCN(C2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)C1,0.5228787452803376 | |
| CN1CCC(=CCn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.4756711883244297 | |
| CN1CCN(C2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1=O,0.3872161432802645 | |
| O=C(Nc1cn(CCN2CCNCC2=O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,-0.4638929889859073 | |
| O=C(CN1CCCCC1)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2OC(F)F)n1,-0.3856062735983122 | |
| CC(C#N)CNC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3872161432802645 | |
| CN(CCC#N)C1CCC(=CCn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2441251443275086 | |
| N#CCCNC1CCC(=CCn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1870866433571444 | |
| NC1CCC(=CCn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.0506099933550872 | |
| CN(C)C(=O)[C@@H]1CCCN1CC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.1366771398795441 | |
| CN(C)C(=O)[C@@H]1CCCN1C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,-0.0492180226701816 | |
| CNC(=O)[C@@H]1CCCN1CC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2218487496163563 | |
| CNC(=O)[C@@H]1CCCN1C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2757241303992109 | |
| CN(C)C(=O)CN1CCN(CC2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1,0.3767507096020995 | |
| CN(C)C(=O)CN1CCC(CN2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1,0.1023729087095585 | |
| O=C(Nc1cn(CC(=O)N2CCN(C3CCOCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.3187587626244128 | |
| CN1CCC2CN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC21,0.2924298239020636 | |
| CN(C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1)C1(C#N)CC1,0.5376020021010439 | |
| CN(CC1OCCO1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3767507096020995 | |
| O=C(Nc1cn(CC(=O)N2CCC(N3CCSCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.5086383061657274 | |
| CN(CC1(CC#N)CC1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.4685210829577448 | |
| N#CC1(NC2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1,0.6020599913279624 | |
| O=C(Nc1cn(CC(=O)N2CCN(C3CCOC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.4202164033831898 | |
| CN(CC1(C)OCCO1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.2291479883578558 | |
| O=C(Nc1cn(CC(=O)N2CC3CCCNC3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.1487416512809247 | |
| CN1CCCC2CN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC21,0.3372421683184259 | |
| O=C(Nc1cn(CC(=O)N2CCC(N3CCCOCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.2839966563652008 | |
| O=C(Nc1cn(CC(=O)N2CCC(N3CC[S+](O)CC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.638272163982407 | |
| O=C(Nc1cn(CC(=O)N2C[C@@H]3CCN[C@@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.1191864077192086 | |
| O=C(Nc1cn(CC(=O)N2CCC(N3CCNCC3=O)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.4559319556497244 | |
| N#CC1CN(C2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)C1,0.3467874862246563 | |
| O=C(Nc1cn(CC(=O)N2CCC(N3C[C@@H]4C[C@H]3CO4)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.3098039199714863 | |
| CN1CCN(C2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)C(=O)C1,0.4436974992327127 | |
| O=C(Nc1cn(CC(=O)N2CCC(N3CC4CC(C3)O4)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.431798275933005 | |
| O=C(Nc1cn(Cc2cn(C3CCNCC3)nn2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.1487416512809247 | |
| O=C(Nc1cn(CC(=O)N2CCC(OCC(=O)N3CCOCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.3872161432802645 | |
| CN1CCC(n2cc(Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)nn2)CC1,0.3979400086720376 | |
| O=C(Nc1cn(Cc2cn(C3CCN(C4CCOC4)CC3)nn2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.5228787452803376 | |
| N#CCCCNC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3098039199714863 | |
| O=C(Nc1cn(Cc2cn(C3CCN(C4CCOCC4)CC3)nn2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.3467874862246563 | |
| O=C(Nc1cn(CC(=O)N2CCN(CC3CCOCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.3279021420642826 | |
| CN(C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1)C1COC1,0.5228787452803376 | |
| O=C(Nc1cn(CC(=O)N2CCN(CCN3CCSCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12,0.4089353929735008 | |
| N#CCCCN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3979400086720376 | |
| N#CC1CCN(C2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1,0.4202164033831898 | |
| CC(F)(F)CNC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.5086383061657274 | |
| CN(CCCC#N)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.3098039199714863 | |
| CN(CC(C)(C)C#N)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.619788758288394 | |
| CC(C)(C#N)CNC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.5686362358410126 | |
| CN(CC1(C#N)CC1)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1,0.619788758288394 | |
| N#CC1(CNC2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1,0.4436974992327127 | |
| Cc1cc(Nc2nccc3nc(-c4c(Cl)cc(C#N)cc4Cl)[nH]c23)ncn1,-1.380211241711606 | |
| Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1,-2.0211892990699383 | |