Compound Name

SMILES String

Brc1cc(Br)cc(CNc2nccc(n2)-c2ccc3OCOc3c2)c1

Brc1ccc(CNc2nccc(n2)-c2ccc3OCOc3c2)cc1Br

C(Cc1ccco1)Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1

C(Cc1cnc[nH]1)Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1

C(Nc1ccnc(n1)-c1ccc2[nH]ncc2c1)c1cccnc1

C(Nc1ccnc(n1)-c1ccc2cn[nH]c2c1)c1cccnc1

C(Nc1nccc(n1)-c1ccc2OCOc2c1)c1cccnc1

C(Nc1nccc(n1)-c1ccc2[nH]ncc2c1)c1cccnc1

C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)C1CCCC1

C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)C1CCCO1

C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)C1CCCOC1

C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)C1CCOC1

C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ccco1

C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1cccs1

C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ccoc1

C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1ncc[nH]1

C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)c1nccs1

C(Nc1ncncc1-c1ccc2OCOc2c1)c1cccnc1

C(c1ccccc1)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1

C1C2CC3CC1CC(C2)(C3)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1 |TLB:0:1:9:6.5.4,0:5:8.1.2:9,4:3:8:6.0.5,THB:4:5:8:2.3.9|

C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)|

C1CCC(CC1)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1

C1Oc2ccc(Nc3nccc(n3)-c3ccc4OCOc4c3)cc2O1

CC(=C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1

CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C3CCOCC3)c12 |r,wU:9.9,wD:12.16,(27.06,-3.5,;25.74,-2.71,;25.76,-1.17,;24.39,-3.45,;23.06,-2.65,;21.72,-3.41,;21.7,-4.95,;23.02,-5.74,;24.37,-5,;20.37,-5.7,;20.37,-7.25,;19.05,-8.02,;17.71,-7.24,;17.7,-5.71,;19.05,-4.92,;16.38,-8.02,;16.38,-9.56,;17.72,-10.32,;17.72,-11.87,;16.39,-12.64,;15.05,-11.87,;13.59,-12.35,;12.68,-11.11,;13.58,-9.86,;13.09,-8.4,;14.13,-7.25,;13.65,-5.8,;12.15,-5.47,;11.12,-6.62,;11.6,-8.09,;15.05,-10.33,)|

CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)c1

CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1

CC(=O)c1c(C)c([nH]c1-c1ccncc1)-c1ccncc1

CC(C)(C#N)c1cc(Cl)cc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(N)=O)c1

CC(C)(C#N)c1cc(Cl)cc(CNCCCCOCCOc2nc3cc(ccc3c3cnccc23)C(O)=O)c1

CC(C)(C)CNc1ncnc2ccc(cc12)-c1ccc2OCOc2c1

CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cc[nH]n1

CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1

CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]n1

CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cnn(CCN2CCOCC2)c1

CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cnsc1

CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1nn[nH]n1

CC(C)(C)c1ccc(cn1)C(=O)Nc1cn2cc(ccc2n1)-c1cn[nH]c1

CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1

CC(C)(COCCCCNCc1ccc(OC(F)(F)F)c(Cl)c1)Nc1nc2cc(ccc2c2cnccc12)C(N)=O

CC(C)(COCCCCNCc1ccc(OC(F)(F)F)c(Cl)c1)Nc1nc2cc(ccc2c2cnccc12)C(O)=O

CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F |r|

CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC3(CC3)C(F)(F)F)c2)c1)C(F)(F)F |r|

CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)c1)C(F)(F)F |r|

CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(c2)C2CCC2)c1)C(F)(F)F |r|

CC(C)CC(=O)Nc1cncc(c1)-c1ccc2[nH]nc(-c3nc4cncc(-c5cccc(F)c5)c4[nH]3)c2c1

CC(C)Cc1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1

CC(C)Oc1ccc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(N)=O)cc1CO

CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1 |r|

CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:15.18,wD:12.11,(14.13,-7.25,;13.09,-8.4,;11.6,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.7,-5.71,;21.7,-4.95,;21.72,-3.41,;23.07,-2.65,;24.39,-3.45,;24.37,-5,;23.02,-5.74,;25.74,-2.71,;27.06,-3.5,;25.76,-1.17,;15.05,-10.33,)|

CC(C)c1cnn2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:28.30,wD:25.26,(51.12,-22.52,;52.63,-22.18,;53.65,-23.33,;53.1,-20.71,;52.18,-19.48,;53.09,-18.23,;54.56,-18.7,;55.89,-17.92,;55.89,-16.38,;54.55,-15.61,;54.55,-14.07,;55.88,-13.31,;55.88,-11.77,;54.54,-10.99,;53.2,-11.78,;53.21,-13.32,;54.53,-9.46,;55.87,-8.69,;55.86,-7.15,;54.52,-6.38,;53.18,-7.17,;53.2,-8.71,;57.23,-18.68,;57.24,-20.23,;58.57,-21.01,;59.9,-20.23,;61.23,-21.01,;62.56,-20.24,;62.56,-18.7,;63.9,-17.93,;61.23,-17.93,;59.89,-18.69,;55.9,-21.01,;54.56,-20.24,)|

CC(C)n1cnc2c(Nc3cc(Cl)cc(NC(C)=O)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 |r|

CC(C)n1cnc2c(Nc3cc(Cl)cc(NC(C)=O)c3)nc(N[C@H]3CCCC[C@H]3N)nc12 |r|

CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 |r|

CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCC[C@H]3N)nc12 |r|

CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCNC3)nc12 |r|

CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCNC3)nc12 |r|

CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc12 |r|

CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCC[C@H]3N)nc12 |r|

CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc12 |r|

CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCNC3)nc12 |r|

CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 |r|

CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@H]3N)nc12 |r|

CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc12 |r|

CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@H]3N)nc12 |r|

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|

CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12

CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12

CC1(CC1)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1

CC1N=CC(=N1)c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 |c:2,4|

CCCCCOc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1 |t:11|

CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1

CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1 |w:7.7,t:4|

CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:7.7,t:4|

CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1c1ccccc1 |w:7.7,t:4|

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

CCCSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1 |t:4|

CCCSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1C |t:4|

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1

CCN(Cc1cccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1

CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |w:13.15|

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

CCN1\C(Sc2ccc(OC)cc12)=C/C(C)=O

CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O

CCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1 |w:6.6,t:3|

CCNCc1ccc(o1)-c1ccc2ncnc(NCC(C)(C)C)c2c1

CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:5|

CCOC(=O)Nc1ccc2ncc(-c3cccc(Cl)c3)n2n1

CCOC(=O)Nc1ccc2ncc(-c3cccnc3)n2n1

CCOC(=O)c1c(C(C=N)C#N)c2ccc(Cl)c(Cl)c2n1C

CCOC(=O)c1ccc(o1)-c1ccc2ncnc(NCc3ccc(C)o3)c2c1

CCOC(=O)c1ccc(o1)-c1ccc2ncnc(NCc3cccs3)c2c1

CCOC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|

CCOc1cc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(N)=O)cc(CC#N)c1

CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

CCOc1ccc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(N)=O)cc1CO

CCOc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O

CCSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1 |t:3|

CCSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1C |t:3|

CC[C@@H](CO)N(C(C)=O)c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|

CC[C@@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(Cl)nn12 |r|

CC[C@@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|

CC[C@@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@H](CC)CO)nn12 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3cc(Cl)ccc3N)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3cc4ccccc4[nH]3)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C(F)(F)F)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(Cl)c3)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(N)c3)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(SC)c3)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\O)c3)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\[C@@H](CC)CO)c3)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(O)=O)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)S(C)(=O)=O)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(N)n3)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(SC)n3)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(n3)S(C)(=O)=O)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(n3)[S+](C)[O-])n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 |r|

CC[C@@H](CO)Nc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1 |r|

CC[C@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(Cl)nn12 |r|

CC[C@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|

CC[C@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@H](CC)CO)nn12 |r|

CC[C@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\[C@H](CC)CO)c3)n2n1 |r|

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

CCc1cc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(N)=O)cc(CC#N)c1

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CC[C@H](C1)C(C)(C)O |r|

CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12

CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@H]3N)nc12

CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc12 |r|

CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

CN(C)c1nccc(n1)-c1cnn2ncccc12

CN(C1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1)c1ccccc1 |t:2|

CN(Cc1ccco1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1

CN(Cc1cccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1

CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1

CN(Cc1nc(C)cs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1

CN(Cc1ncc[nH]1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1

CN(Cc1nccs1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1

CN(Cc1nnc(C)o1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1

CN(Cc1sccc1C)c1ncnc2ccc(cc12)-c1ccc(CO)o1

CN(Cc1sccc1C)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1

CN(Cc1sccc1C)c1ncnc2ccc(cc12)-c1ccoc1

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

CN1C(N)=NC(=Cc2ccc3OCOc3c2)C1=O |w:6.6,c:3|

CN1C(N)=N\C(=C\c2ccc3OCOc3c2)C1=O |c:3|

CN1C(Nc2ccccc2)=NC(=Cc2ccc3OCOc3c2)C1=O |w:12.13,c:10|

CN1CCC(CC1)c1cccc(c1)-c1coc2ccc(nc12)-c1cnn(C)c1

CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl

CN1CCN(CC1)C(=O)C(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1ccncc1

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

CN1CCN(CC1)c1ccc(NC2=N\C(=C/C3=COc4ccccc4O3)C(=O)N2)cc1 |t:13,17|

CN1CCN(CC1)c1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1 |t:13|

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

CNC(=O)c1cc(OC)c(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)cc1F

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1

CNC(=O)c1ccc(Nc2nc(NC3CCCC3)c3c(c[nH]c3n2)-c2ccc(O)cc2)c(OC)c1

CNC(=O)c1ccc(Nc2nc(NC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1

CNC(=O)c1ccc(Nc2nc(OC)c3c(c[nH]c3n2)-c2ccc(OC)nc2)c(OC)c1

CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc(O)cc2)c(OC)c1

CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc(O)cc2)c(c1)C(C)C

CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(Cl)c1

CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1

CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc(O)cc2)c(OC)c1

CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(C)c1

CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(Cl)c1

CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(c1)C#N

CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(c1)C(F)(F)F

CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(c[nH]c3n2)-c2cnn(C)c2)c(Cl)c1

CNC(=O)c1ccc(Nc2nc(O[C@H]3CCOC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(Cl)c1 |r|

CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3Cl)C(=O)NC)nc(OC3CCOCC3)c12

CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC)nc(OC3CCCC3)c12

CNC(=O)c1ccc(cc1)-c1c[nH]c2nc(Nc3ccc(cc3OC)C(=O)NC3CN(C)C3)nc(OC3CC[C@@](C)(O)CC3)c12 |r,wU:39.43,wD:39.42,(6.47,11.4,;6.08,9.92,;4.59,9.52,;3.5,10.61,;4.19,8.03,;5.28,6.94,;4.88,5.45,;3.39,5.06,;2.3,6.15,;2.7,7.63,;2.99,3.57,;3.9,2.32,;2.99,1.08,;1.53,1.55,;.19,.78,;-1.14,1.55,;-2.47,.78,;-2.47,-.76,;-1.14,-1.53,;-1.14,-3.07,;-2.47,-3.84,;-3.81,-3.07,;-3.81,-1.53,;-5.14,-.76,;-6.47,-1.53,;-2.47,-5.38,;-1.14,-6.15,;-3.81,-6.15,;-3.81,-7.69,;-4.9,-8.78,;-3.81,-9.86,;-3.81,-11.4,;-2.72,-8.78,;-1.14,3.09,;.19,3.86,;.19,5.4,;-1.14,6.17,;-2.47,5.4,;-3.81,6.17,;-3.81,7.71,;-3.81,9.25,;-5.14,6.94,;-2.47,8.48,;-1.14,7.71,;1.53,3.09,)|

CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1

CNC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1 |t:2|

CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

CNc1nc(NCc2ncccn2)c2c(c[nH]c2n1)-c1ccc2ncccc2c1

COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1

COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1

COC(=O)C1=C(Nc2ccccc2Cl)O\C(=C/c2c[nH]c3ncccc23)C1=O |c:4|

COC(=O)CCNC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21

COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(CC#N)nc12 |r,wU:13.17,wD:10.10,(21.97,-21.58,;21.98,-20.04,;20.66,-19.26,;20.68,-17.72,;19.32,-20.02,;19.31,-21.56,;17.97,-22.32,;16.64,-21.54,;16.65,-19.99,;17.99,-19.23,;15.3,-22.29,;13.96,-21.52,;12.62,-22.28,;12.62,-23.82,;13.95,-24.6,;15.29,-23.83,;11.28,-24.59,;11.28,-26.13,;12.62,-26.91,;12.62,-28.45,;13.95,-29.22,;15.28,-28.46,;15.43,-26.92,;16.94,-26.61,;17.7,-27.94,;19.24,-27.93,;16.67,-29.08,;11.28,-29.22,;9.95,-28.45,;8.63,-29.24,;7.29,-28.48,;7.27,-26.93,;5.93,-26.19,;5.91,-24.65,;5.88,-23.11,;8.6,-26.15,;9.94,-26.91,)|

COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:13.17,wD:10.10,(55.44,-8.62,;55.46,-7.09,;54.13,-6.3,;54.15,-4.76,;52.79,-7.06,;52.77,-8.6,;51.44,-9.36,;50.12,-8.58,;50.12,-7.04,;51.46,-6.28,;48.78,-9.33,;47.44,-8.56,;46.1,-9.32,;46.11,-10.85,;47.43,-11.64,;48.77,-10.87,;44.77,-11.63,;44.77,-13.17,;46.1,-13.94,;46.1,-15.48,;44.77,-16.25,;43.44,-15.48,;42.12,-16.26,;40.78,-15.51,;40.76,-13.96,;42.09,-13.18,;43.43,-13.94,;39.43,-13.22,;38.09,-12.47,)|

COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1

COC1CN(C1)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

COCc1cc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(N)=O)cc(CC#N)c1

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|

COc1cc(CNCCCCOC2CN(C2)c2nc3cc(ccc3c3cnccc23)C(O)=O)ccc1OC(F)(F)F

COc1cc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(N)=O)cc(CC#N)c1

COc1cc(CNCCCCOCCOc2nc3cc(ccc3c3cnccc23)C(O)=O)ccc1OC(F)(F)F

COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl

COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

COc1cc(\C=C2/N=C(Nc3ccc(cc3)N3CCCCC3)NC2=O)ccc1O |t:7|

COc1cc(\C=C2/N=C(Nc3ccc(cc3)N3CCN(C)CC3)NC2=O)ccc1O |t:7|

COc1cc(\C=C2/N=C(Nc3ccc(cc3)N3CCNCC3)NC2=O)ccc1O |t:7|

COc1cc(\C=C2/N=C(Nc3ccccc3)NC2=O)ccc1O |t:7|

COc1cc(cc(OC)c1OC)-c1cnc2c(snc2c1)N1CCOCC1

COc1cc(ccc1Nc1nc(OC2CCC2)c2c(c[nH]c2n1)-c1ccc2nc(C)oc2c1)C(=O)NC1COC1

COc1cc(ccc1Nc1nc(OC2CCCC2)c2c(c[nH]c2n1)-c1ccc2nc(C)oc2c1)C(=O)NCCO

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

COc1ccc(CNC(=O)c2cnc3ccc(cn23)-c2ccc3ncccc3c2)cc1

COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1

COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N

COc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cncc(CN3CCCCC3)c2)cn1

COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7|

COc1ccc(\C=C2/N=C(Nc3ccccc3)NC2=O)cc1 |t:8|

COc1ccc(cc1)-c1ccnc(NCc2ccc(Cl)c(Cl)c2)n1

COc1ccc(cc1)-c1ccnc(NCc2ccc(Cl)cc2)n1

COc1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1

COc1ccc2[nH]c3c(c(C#N)c([nH]c3=O)-c3cccnc3)c2c1

COc1ccc2[nH]c3c(c(cc4cnccc34)C#N)c2c1

COc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1

COc1ccc2c(c1)[nH]c1c(C)nccc21

COc1ccc2c(c1)[nH]c1c2c(CN)cc2cnccc12

COc1ccc2c(c1)[nH]c1c2c(CNC(C)=O)cc2cnccc12

COc1ccc2c(c1)[nH]c1c2c(cc2cncc(OC)c12)C#N

COc1ccc2c(c1)[nH]c1c2c(cc2cnccc12)C#N

COc1ccc2c(c[nH]c2n1)-c1ccncc1

COc1ccc2c(c[nH]c2n1)C(=C\c1cccnc1)\C#N

COc1ccc2c(n1)[nH]c1c2c(cc2cnccc12)C#N

COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O

COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O

COc1ccc2c3[nH]c4c(F)cccc4c3c(nc2c1)C(O)=O

COc1ccc2c3[nH]c4c(I)cccc4c3c(nc2c1)C(O)=O

COc1ccc2ncc(-c3ccc(cc3)C(F)(F)F)n2n1

COc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1

COc1ccc2ncc(-c3cccc(\C=N\O)c3)n2n1

COc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1

COc1ccc2ncc(-c3ccnc(N)n3)n2n1

COc1ccc2ncc(-c3ccnc(SC)n3)n2n1

COc1ccc2ncc(-c3ccnc(n3)[S+](C)[O-])n2n1

COc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1

COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cc(F)cc(F)c1

COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cccc(F)c1

COc1ccc2sc(cc2c1)C(=O)NC(=O)c1cc(Cl)ccc1OC

COc1ccc2sc(cc2c1)C(=O)NC(=O)c1cc(F)ccc1OC

COc1ccc2sc(cc2c1)C(=O)NC(=O)c1ccc(Br)cc1OC

COc1ccc2sc(cc2c1)C(=O)NC(=O)c1ccc(F)cc1OC

COc1ccc2sc(cc2c1)C(=O)NC(=O)c1cccc(F)n1

COc1cccc(\C=C2/N=C(Nc3ccccc3)NC2=O)c1 |t:9|

COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1

COc1cccc(c1)-c1ccnc(NCc2ccc(Cl)c(Cl)c2)n1

COc1cccc(c1)-c1ccnc(NCc2ccc(Cl)cc2)n1

COc1cccc2[nH]c3c(c(cc4cnccc34)C#N)c12

COc1cccc2c1[nH]c1c2c(cc2cnccc12)C#N

COc1cccc2c1[nH]c1c2c(cc2cnccc12)C(N)=O

COc1ccccc1C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O |c:9|

COc1ccccc1C1=C(Nc2cccc(c2)C#N)C(=O)NC1=O |c:9|

COc1nc(Nc2ccc(cc2C)C(=O)N(C)C)nc2[nH]cc(-c3ccncc3)c12

COc1ncnn2ccc(-c3cnc4nc(C)n(Cc5nnc(o5)[C@@H](C)F)c4c3)c12 |r|

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

CSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1 |t:2|

CSc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)cc1 |t:7|

CSc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1

CSc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1

CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|

CSc1nc2ccc3nc(NC(=O)c4ccc(cc4)S(=O)(=O)N4CCOCC4)sc3c2s1

CSc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1

C[C@@H](C#N)c1cc(Cl)cc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(N)=O)c1 |r|

C[C@@H](COCCCCNCc1ccc(OC(F)(F)F)c(Cl)c1)Nc1nc2cc(ccc2c2cnccc12)C(N)=O |r|

C[C@@H](COCCCCNCc1ccc(OC(F)(F)F)c(Cl)c1)Nc1nc2cc(ccc2c2cnccc12)C(O)=O |r|

C[C@@H](COCCCCNCc1ccc(OC(F)(F)F)c(Cl)c1)Oc1nc2cc(ccc2c2cnccc12)C(N)=O |r|

C[C@@H](COCCCCNCc1ccc(OC(F)(F)F)c(Cl)c1)Oc1nc2cc(ccc2c2cnccc12)C(O)=O |r|

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

C[C@@H](Oc1cc(ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(=O)N(C)C)C(F)(F)F |r,wU:17.19,14.14,1.0,(59.2,-50.35,;60.54,-51.12,;61.87,-50.34,;61.86,-48.8,;60.53,-48.04,;60.52,-46.49,;61.86,-45.72,;63.19,-46.49,;63.18,-48.03,;64.52,-48.8,;65.85,-48.03,;65.85,-46.49,;67.18,-45.72,;67.18,-44.18,;65.84,-43.41,;64.51,-44.19,;63.18,-43.42,;63.17,-41.87,;62.4,-40.53,;61.63,-41.87,;64.51,-41.11,;65.84,-41.87,;68.52,-46.48,;69.98,-46,;70.45,-44.53,;70.89,-47.24,;70,-48.49,;68.53,-48.02,;67.18,-48.8,;59.19,-45.72,;59.19,-44.18,;57.86,-46.49,;56.52,-45.72,;57.86,-48.03,;60.54,-52.66,;59.21,-53.43,;61.88,-53.42,;60.53,-54.19,)|

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccc2ocnc2c1 |r|

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

C[C@@H]1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C |r|

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

C[C@@H]1[C@@H](O)CN1c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F |r|

C[C@@H]1[C@H](O)CCN1c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F |r|

C[C@H](C#N)c1cc(Cl)cc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(N)=O)c1 |r|

C[C@H](COCCCCNCc1cc(F)c(OC(F)(F)F)c(F)c1)Nc1nc2cc(ccc2c2cnccc12)C(O)=O |r|

C[C@H](COCCCCNCc1cc(F)c(OC(F)(F)F)c(F)c1)Oc1nc2cc(ccc2c2cnccc12)C(O)=O |r|

C[C@H](COCCCCNCc1ccc(OC(F)(F)F)c(Cl)c1)Nc1nc2cc(ccc2c2cnccc12)C(N)=O |r|

C[C@H](COCCCCNCc1ccc(OC(F)(F)F)c(Cl)c1)Nc1nc2cc(ccc2c2cnccc12)C(O)=O

C[C@H](COCCCCNCc1ccc(OC(F)(F)F)c(Cl)c1)Oc1nc2cc(ccc2c2cnccc12)C(N)=O |r|

C[C@H](COCCCCNCc1ccc(OC(F)(F)F)c(Cl)c1)Oc1nc2cc(ccc2c2cnccc12)C(O)=O |r|

C[C@H](COCCCCNCc1ccc(OC(F)(F)F)c(F)c1)Nc1nc2cc(ccc2c2cnccc12)C(O)=O |r|

C[C@H](COCCCCNCc1ccc(OC(F)(F)F)c(F)c1)Oc1nc2cc(ccc2c2cnccc12)C(O)=O |r|

C[C@H]1CN(CCN1C1COC1)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F |r|

C[C@H]1CN(C[C@@H](C)O1)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(C)cn1 |r|

C[C@H]1CN(C[C@@H](C)O1)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F |r|

C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|

C\C(=C1\N=C(Nc2ccccc2)NC1=O)c1ccc2OCOc2c1 |t:3|

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O

Cc1cc(CNCCCCOC2CN(C2)c2nc3cc(ccc3c3cnccc23)C(N)=O)cc(CC#N)c1

Cc1cc(CNCCCCOC2CN(C2)c2nc3cc(ccc3c3cnccc23)C(O)=O)cc(CC#N)c1

Cc1cc(CNCCCCOC2CN(C2)c2nc3cc(ccc3c3cnccc23)C(O)=O)ccc1OC(F)(F)F

Cc1cc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(N)=O)cc(CC#N)c1

Cc1cc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(O)=O)cc(CC#N)c1

Cc1cc(CNCCCCOCCOc2nc3cc(ccc3c3cnccc23)C(N)=O)cc(CC#N)c1

Cc1cc(CNCCCCOCCOc2nc3cc(ccc3c3cnccc23)C(O)=O)cc(CC#N)c1

Cc1cc(CNCCCCOCCOc2nc3cc(ccc3c3cnccc23)C(O)=O)ccc1OC(F)(F)F

Cc1cc(CO)cc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(N)=O)c1

Cc1ccc(C)c(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)c1 |t:8|

Cc1ccc(CNc2ncnc3ccc(cc23)-c2ccc(CO)o2)o1

Cc1ccc(CNc2ncnc3ccc(cc23)-c2ccc(o2)C(O)=O)o1

Cc1ccc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)o1

Cc1ccc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)s1

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

Cc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|

Cc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)c(C)c1 |t:6|

Cc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1C |t:6|

Cc1ccc(c(c1)[N+]([O-])=O)-n1cc(COc2cccc3cnc(Nc4cccc(Cl)c4)nc23)nn1

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

Cc1ccsc1CNc1ncnc2ccc(cc12)-c1ccc2OCOc2c1

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

Cc1nc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cs1

Cc1nc(NC(=O)c2cccc(n2)-c2cnn(C)c2)cc(n1)N1CC[C@H](C1)C(C)(C)O |r|

Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1

Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1

Cc1nc2ccc3sc(NC(=O)c4ccc5ncsc5c4)nc3c2s1

Cc1occc1CNc1ncnc2ccc(cc12)-c1ccc2OCOc2c1

Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|

Clc1cc(Cl)cc(CNc2nccc(n2)-c2ccc3OCOc3c2)c1

Clc1cc(Cl)cc(CNc2ncncc2-c2ccc3OCOc3c2)c1

Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3

Clc1ccc(CNc2ccnc(n2)-c2ccc3[nH]ncc3c2)cc1Cl

Clc1ccc(CNc2nccc(n2)-c2ccc3OCCOc3c2)cc1Cl

Clc1ccc(CNc2nccc(n2)-c2ccc3OCOc3c2)cc1Cl

Clc1ccc(CNc2nccc(n2)-c2ccc3[nH]ncc3c2)cc1Cl

Clc1ccc(CNc2nccc(n2)-c2ccc3cn[nH]c3c2)cc1Cl

Clc1ccc(CNc2ncncc2-c2ccc3OCOc3c2)cc1

Clc1ccc(CNc2ncncc2-c2ccc3OCOc3c2)cc1Cl

Clc1ccc(Nc2nccc(n2)-c2ccc3OCOc3c2)cc1

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

Clc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1

Clc1ccc2ncc(-c3cccc(C=O)c3)n2n1

Clc1ccc2ncc(-c3cccnc3)n2n1

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

Clc1cccc(Nc2nc3cc(ccc3c3cnccc23)C(=O)NCCBr)c1

Clc1cccc(Nc2nc3cc(ccc3c3cnccc23)C(=O)NCCN2CCOCC2)c1

Clc1cccc(Nc2nc3cc(ccc3c3cnccc23)C(=O)OCCI)c1

Clc1cccc(c1)-c1cnc2ccc(Cl)nn12

Clc1cccc(c1)-c1cnc2ccc(nn12)N1CCC(CC1)N1CCCCC1

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

Cn1cc(C2=C(C(=O)NC2=O)c2cccc(NCC(O)CO)c2)c2cc(F)ccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(Cc2ccc3OCOc3c2)nc1N

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

Cn1cc(cn1)-c1ccc2occ(-c3ccc(cc3)C(C)(C)C)c2n1

Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3cc[nH]n3)c2n1

Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1

Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3cn[nH]c3)c2n1

Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)C3CCNCC3)c2n1

Cn1cc(cn1)-c1cccc(C(=O)Nc2cnn(c2)C2CCC2)c1F

Cn1cc(cn1)-c1cccc(c1)-c1coc2ccc(nc12)-c1cnn(C)c1

Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CC[C@H](C1)C(C)(C)O |r|

Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1CC(O)C1

Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1CC2(CC1C2)C(C)(C)O |(6.51,-7.33,;5.17,-6.56,;5.17,-4.99,;3.62,-4.59,;2.8,-5.89,;3.77,-7.1,;3.22,-3.11,;4.3,-2.02,;3.91,-.53,;2.42,-.13,;1.33,-1.22,;1.73,-2.72,;-.15,-.82,;-.55,.66,;-1.24,-1.91,;-2.73,-1.51,;-3.13,-.02,;-4.62,.37,;-5.7,-.72,;-5.3,-2.2,;-3.82,-2.6,;-3.42,-4.09,;-3.02,-5.58,;-4.51,-5.18,;-1.93,-4.49,;-5.02,1.86,;-4.2,3.15,;-5.16,4.36,;-6.51,3.83,;-6.51,2.25,;-5.37,2.95,;-4.76,5.85,;-5.85,6.94,;-3.28,6.24,;-4.37,7.33,)|

Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1CC[C@H](C1)C(C)(C)O |r|

Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cnn(c1)C1CCC1

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|

Cn1cc(cn1)-c1coc2ccc(nc12)-c1cn[nH]c1

Cn1cc(cn1)-c1nc(cs1)C(=O)Nc1cnn(c1)C1CCC1

Cn1cc(cn1)-c1nccc(n1)C(=O)Nc1cnn(c1)C1CCC1

Cn1cc(nn1)-c1ccc2occ(-c3ccc(cc3)C(C)(C)C)c2n1

Cn1ccc(n1)-c1ccc2occ(-c3ccc(cc3)C(C)(C)C)c2n1

Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO

FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1

FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12

FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12

FC(F)(F)Oc1ccc(CNCCCCOC2CN(C2)c2nc3ccccc3c3cnccc23)cc1Cl

FC(F)(F)c1cc(Br)cc(Nc2nccc(n2)-c2ccc3OCOc3c2)c1

FC(F)(F)c1ccc(cc1)-c1cnc2ccc(Cl)nn12

FC(F)(F)c1cccc(Nc2nccc(n2)-c2ccc3OCOc3c2)c1

FC(F)(F)c1cccc(\C=C\c2cnc3ccc(Cl)nn23)c1

FC(F)(F)c1cccc(c1)-c1cnc2ccc(Cl)nn12

FC(F)COC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21

FCCOC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

Fc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1 |t:6|

Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl

Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|

Fc1ccc(\C=C2/N=C(Nc3ccccc3)NC2=O)cc1 |t:7|

Fc1ccc(cc1)N1CCN(CC1)C1=N\C(=C/c2ccc3OCCOc3c2)C(=O)N1 |t:15|

Fc1ccc2[nH]c3c(c(cc4cnccc34)C#N)c2c1

Fc1ccc2ncc(-c3cccc(C=O)c3)n2n1

Fc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1

Fc1cccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)c1 |t:7|

N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|

N#C\C(=C/c1cccnc1)c1c[nH]c2ncccc12

N#Cc1cc2ccncc2c2[nH]c3ccccc3c12

N#Cc1cc2cnccc2c2[nH]c3ncccc3c12

N=C1NC(=O)\C(S1)=C\c1ccc2OCCc2c1

NC(=O)Cc1cc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(N)=O)cc(OC(F)(F)F)c1

NC(=O)Cc1cc(CNCCCCOCCOc2nc3cc(ccc3c3cnccc23)C(N)=O)cc(OC(F)(F)F)c1

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

NC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(CC#N)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(CC#N)cc(c1)C(F)(F)F)c1ccncc21

NC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(CO)cc(c1)C(F)(F)F)c1ccncc21

NC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(Cl)cc(CC#N)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(Cl)cc(CO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(F)cc(CC#N)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(F)cc(CO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1ccc(OC(F)(F)F)c(F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(CC#N)cc(CC3CC3)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(CC#N)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(CC#N)cc(OCC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(CC#N)cc(c1)C(F)(F)F)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(CC#N)cc(c1)C1CC1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(CC#N)ccc1Cl)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(CCO)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(CO)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(CO)cc(c1)C(F)(F)F)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(CO)cc(c1)C1CC1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(CO)ccc1Cl)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(Cc3ccoc3)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(Cc3cn[nH]c3)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(Cc3cnco3)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(Cc3cocn3)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(Cl)cc(CC#N)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(Cl)cc(c1)C1(CC1)C#N)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(Cn3ccnc3)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(F)cc(CC#N)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(F)cc(CO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(OC(F)(F)F)cc(c1)C#N)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(OC(F)(F)F)cc(c1)C(N)=O)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(OCCO)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(C#N)c(c1)C1CC1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(C3CC3)c(CO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(C3CC3)c(Cl)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(C3CC3)c(c1)C#N)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(Cl)c(CC#N)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(Cl)c(CO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(Cl)c(OCCO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC(F)(F)F)c(CO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC(F)(F)F)c(F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC(F)(F)F)c(OCCO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC(F)(F)F)c(c1)C#N)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC3CC3)c(Cl)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC3CCC3)c(CO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC3CCC3)c(Cl)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC3CCC3)c(OCCO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC3CCC3)c(c1)C#N)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC3CCCC3)c(CO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC3CCCC3)c(Cl)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OCC(F)(F)F)c(CO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(c(CO)c1)C(F)(F)F)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(c(Cl)c1)-c1ccccc1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(c(Cl)c1)-c1ccccc1CO)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(c(Cl)c1)C(F)(F)F)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(c(OCCO)c1)C(F)(F)F)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cccc(CC#N)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cccc(CC#N)c1Cl)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cccc(CCO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cccc(CO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cccc(CO)c1Cl)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cccc(Cl)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cccc(OCCO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(CC#N)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(CC#N)cc(c1)C(F)(F)F)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(CCO)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(CO)cc(c1)C(F)(F)F)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(Cc3ccoc3)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(Cc3cn[nH]c3)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(Cc3cnco3)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(Cc3cocn3)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(Cl)cc(CC#N)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(Cl)cc(CO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(Cn3ccnc3)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(F)c(OC(F)(F)F)c(F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(F)cc(CC#N)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(F)cc(CO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(OC(F)(F)F)cc(c1)C#N)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(OC(F)(F)F)cc(c1)C(N)=O)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(OCCO)cc(OC(F)(F)F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1ccc(C3CC3)c(c1)C#N)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1ccc(OC(F)(F)F)c(F)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1ccc(OC3CCC3)c(CO)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1ccc(OC3CCC3)c(Cl)c1)c1ccncc21

NC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cccc(Cl)c1)c1ccncc21

NC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1 |t:1|

NCCNC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21

NCCOCCOCCO

NCCOCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:21.21,t:18|

NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:18.18,t:15|

NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1 |w:18.18,t:15|

NCc1cc(Cl)cc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(N)=O)c1

Nc1ccc(Cl)cc1-c1cnc2ccc(Cl)nn12

Nc1cccc(c1)-c1cnc2ccc(Cl)nn12

Nc1cnc2c(cccn2c1=O)-c1c(F)cccc1F |(-3.92,1.6,;-5.25,2.37,;-5.25,3.91,;-6.59,4.68,;-7.92,3.91,;-9.25,4.68,;-10.59,3.91,;-10.59,2.37,;-9.25,1.6,;-7.92,2.37,;-6.59,1.6,;-6.59,.06,;-9.25,6.22,;-10.59,6.99,;-11.92,6.22,;-10.59,8.53,;-9.25,9.3,;-7.92,8.53,;-7.92,6.99,;-6.59,6.22,)|

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F

Nc1nc2c(nccc2[nH]1)-c1cnc2ccccc2c1

O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

O=C1N=C(NCc2cccs2)S\C1=C/c1ccc2ncccc2c1 |t:2|

O=C1N=C(Nc2ccccc2)S\C1=C/c1ccc2OCOc2c1 |t:2|

O=C1NC(=N\C1=C/c1ccc2OCOc2c1)N1CCC(CC1)N1CCCCC1 |c:3|

O=C1NC(=N\C1=C/c1ccc2OCOc2c1)N1CCCC1 |c:3|

O=C1NC(=N\C1=C/c1ccc2OCOc2c1)N1CCCCC1 |c:3|

O=C1NC(=N\C1=C/c1ccc2OCOc2c1)N1CCOCC1 |c:3|

O=C1NC(NC2CCNCC2)=N\C1=C/c1ccc2OCOc2c1 |c:11|

O=C1NC(Nc2ccc(Oc3ccccc3)cc2)=N\C1=C/c1ccc2OCOc2c1 |c:19|

O=C1NC(Nc2ccc(cc2)-c2ccccc2)=N\C1=C/c1ccc2OCOc2c1 |c:18|

O=C1NC(Nc2ccc(cc2)N2CCCCC2)=N\C1=C/c1ccc2OCOc2c1 |c:18|

O=C1NC(Nc2ccc(cc2)N2CCNCC2)=N\C1=C/c1ccc2OC=COc2c1 |c:18,28|

O=C1NC(Nc2ccc(cc2)N2CCNCC2)=N\C1=C/c1ccc2OCOc2c1 |c:18|

O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|

O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1 |w:13.15,c:11|

O=C1NC(Nc2ccccc2)=NC1Cc1ccc2OCOc2c1 |c:11|

O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCCc2c1 |c:11|

O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCOc2c1 |c:11|

O=C1NC(Nc2ccccc2)=N\C1=C/c1ccc2OCCc2c1 |c:11|

O=C1NC(Nc2ccccn2)=N\C1=C/c1ccc2OCOc2c1 |c:11|

OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

OC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(Br)cc(OC(F)(F)F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(CC#N)cc(OC(F)(F)F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(CC#N)cc(c1)C(F)(F)F)c1ccncc21

OC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(Cl)c(Cl)c(OC(F)(F)F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(Cl)cc(CC#N)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(Cl)cc(OC(F)(F)F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(F)c(OC(F)(F)F)c(F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(F)cc(CC#N)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(F)cc(OC(F)(F)F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(OC(F)(F)F)cc(c1)C1CC1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1ccc(Cl)c(OC(F)(F)F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1ccc(OC(F)(F)F)c(Br)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1ccc(OC(F)(F)F)c(F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1ccc(OC(F)(F)F)c(c1)C1CC1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(CC#N)cc(OC(F)(F)F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(CC#N)cc(c1)C(F)(F)F)c1ccncc21

OC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(Cl)cc(CC#N)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(F)c(OC(F)(F)F)c(F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cc(F)cc(CC#N)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(C3CC3)c(Cl)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(C3CC3)c(c1)C#N)c1ccncc21

OC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC(F)(F)F)c(F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC3CC3)c(Cl)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC3CCC3)c(Cl)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC3CCC3)c(c1)C#N)c1ccncc21

OC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cccc(CC#N)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1cccc(Cl)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(Br)cc(OC(F)(F)F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(CC#N)cc(OC(F)(F)F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(CC#N)cc(c1)C(F)(F)F)c1ccncc21

OC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(Cl)c(Cl)c(OC(F)(F)F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(Cl)cc(CC#N)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(Cl)cc(OC(F)(F)F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(Cl)cc(c1)C1(CC1)C#N)c1ccncc21

OC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(F)c(OC(F)(F)F)c(F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(F)cc(CC#N)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1cc(OC(F)(F)F)cc(c1)C1CC1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1ccc(Cl)c(OC(F)(F)F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1ccc(OC(F)(F)F)c(Br)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1ccc(OC(F)(F)F)c(F)c1)c1ccncc21

OC(=O)c1ccc2c(c1)nc(OCCOCCCCNCc1ccc(OC(F)(F)F)c(c1)C1CC1)c1ccncc21

OC(=O)c1nc2ccc(I)cc2c2[nH]c3c(Br)cccc3c12

OC(=O)c1nc2ccc(I)cc2c2[nH]c3c(Cl)cccc3c12

OC(=O)c1nc2ccc(I)cc2c2[nH]c3c(F)cccc3c12

OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12

OC(=O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12

OC(=O)c1nc2ccccc2c2[nH]c3c(I)cccc3c12

OC(=O)c1nc2cccnc2c2[nH]c3c(Br)cccc3c12

OCCN1CCN(CC1)c1ccc2ncc(-c3cccc(Cl)c3)n2n1

OCCNC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21

OCCOC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21

OCCOc1cccc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(O)=O)c1

OCCc1cccc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(O)=O)c1

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

OCc1cc(CNCCCCOC2CN(C2)c2nc3cc(ccc3c3cnccc23)C(O)=O)cc(c1)C(F)(F)F

OCc1cc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(O)=O)cc(c1)C(F)(F)F

OCc1cc(CNCCCCOCCOc2nc3cc(ccc3c3cnccc23)C(O)=O)cc(c1)C(F)(F)F

OCc1cc(Cl)cc(CNCCCCOC2CN(C2)c2nc3cc(ccc3c3cnccc23)C(O)=O)c1

OCc1cc(Cl)cc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(O)=O)c1

OCc1cc(Cl)cc(CNCCCCOCCOc2nc3cc(ccc3c3cnccc23)C(O)=O)c1

OCc1cc(F)cc(CNCCCCOC2CN(C2)c2nc3cc(ccc3c3cnccc23)C(O)=O)c1

OCc1cc(F)cc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(O)=O)c1

OCc1cc(F)cc(CNCCCCOCCOc2nc3cc(ccc3c3cnccc23)C(O)=O)c1

OCc1cccc(CNCCCCOCCNc2nc3cc(ccc3c3cnccc23)C(O)=O)c1

O\N=C\c1cccc(c1)-c1cnc2ccc(Cl)nn12

Oc1c2cccc3N=Nc(c23)c2ccccc12 |c:7|

Oc1cc(cc(O)c1O)C1CCc2c(O)cc(OC(=O)c3cc(O)c(O)c(O)c3)cc2O1

Oc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|

Oc1ccc(NC2=N\C(=C/c3ccc4OCOc4c3)C(=O)N2)cc1F |t:6|

Oc1ccc(\C=C2/N=C(Nc3ccccc3)NC2=O)cc1O |t:7|

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

[2H]C1([2H])Oc2ccc(\C=C3/N=C(Nc4ccccc4)NC3=O)cc2O1 |t:10|

[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|

[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|

[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|

c1n[nH]cc1-c1ccc2occ(-c3ccc(cc3)-c3ccccc3)c2n1

c1n[nH]cc1-c1ccc2occ(-c3ccc4ccccc4c3)c2n1

c1n[nH]cc1-c1ccc2occ(-c3ccccc3)c2n1