Compound Name

SMILES String

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

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

c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F

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

CCNCCCCNc1ncc2CN(C(=O)N(Cc3cccc(NC(=O)C=C)c3)c2n1)c1c(Cl)c(OC)cc(OC)c1Cl

CCNCCCCNc1ncc2CN(C(=O)N(Cc3cccc(NC(=O)CC)c3)c2n1)c1c(Cl)c(OC)cc(OC)c1Cl

CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O

CN1c2cnc(Nc3ccc4ncccc4c3)nc2N(C2CCCC2)[C@@H]2CCC[C@@H]2C1=O |r|

CN1c2cnc(nc2N([C@@H]3CCC[C@@H]3C1=O)C4CCCC4)Nc5ccc(cc5)C(=O)N

COc1cc(ccc1Nc1ncc2NC(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1

CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4C)C

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1

CCN1c2cnc(Nc3ccc(cn3)N3CCC(O)CC3)nc2N(C)c2ccccc2C1=O

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3cccc4CCN(c34)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1

CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCCC7

OC(=O)c1cccc(c1)-c1n[nH]c2ccccc12

Cc1cccc2[nH]nc(-c3ccc(O)cc3)c12

Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(F)(F)F

OC(=O)c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(F)(F)F

Cc1ccc2[nH]nc(-c3ccc(F)c(CO)c3)c2c1

Cc1ccc2[nH]nc(-c3ccc4OCOc4c3)c2c1

Cc1ccc2[nH]nc(-c3ccc(O)cc3)c2c1

Cc1ccc2[nH]nc(-c3ccc(cc3)C(N)=O)c2c1

Cc1ccc2[nH]nc(-c3ccc(cc3)C(O)=O)c2c1

OC(=O)c1ccc(cc1)-c1n[nH]c2cc(ccc12)C(F)(F)F

Fc1ccc2c(n[nH]c2c1)-c1ccc2OCOc2c1

OC(=O)c1ccc(cc1)-c1n[nH]c2cc(F)ccc12

C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

COCCN1CCC(CNC(=O)c2n[nH]c3ccc(cc23)-c2cccc(F)c2F)CC1

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

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

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|

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

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

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

COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|

CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

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

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

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

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

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

CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl

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

CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl

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

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

COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F

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

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

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C

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

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

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC

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|

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

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO

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

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

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

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

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

CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C

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

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

C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F

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

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

c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4

c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl

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

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

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

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

CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br

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

Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4

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

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

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

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

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

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

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

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

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

CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F

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

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

Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C

CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO

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

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

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

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

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

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

CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F

Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NC[C@@H](CO)O

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCOCC1

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCNCC1

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(CC1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C1CCN(C)CC1

CN1CCN(CC1)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)c(C)c1

CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCCC1

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NCCN(C)C

CCN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc12

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C(C)C)c2n1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3cc(C)ccc3N(C)c2n1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccc(F)cc3N(C)c2n1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3cc(Cl)ccc3N(C)c2n1)N1CCN(C)CC1

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccc(Cl)cc3N(C)c2n1)N1CCN(C)CC1

COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(Cl)cc2n1-c1ccccc1

CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C

CNC(=O)c1ccc2C(C(=Nc3cccc(CN(C)C)c3)c3ccccc3)C(=O)Nc2c1 |w:10.10|

CN(C)Cc1cccc(c1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)C)c1ccccc1 |w:10.10|

CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|

COc1cc2c(ncnc2cn1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1

COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(OC(C)C)cc3)c2cc1OC

CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N

COc1ccc2c(c1)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4N)OC(F)(F)F

COc1ccc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1

COc1ccc2c(nccc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1

Cc1nc(C2CCN(CC2)C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2n1

Cc1ccc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1

COc1ccc2c(ncnc2n1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1

COc1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1

COc1cc2ncnc(N3CCN(CC3)C(=O)c3ccc(OC(F)(F)F)cc3)c2cc1OC

COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccccc3OC(F)(F)F)c2cc1OC

COc1cc2ncnc(C3CCN(Cc4ccc(OC(F)(F)F)cc4)CC3)c2cc1OC

CCOc1ccc(cc1)C(=O)N1CCC(CC1)c1ncnc2cc(OC)c(OC)cc12

COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(cc3)C(F)(F)F)c2cc1OC

COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(F)cc3)c2cc1OC

COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(OCCO)cc3)c2cc1OC

COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(OCCN(C)C)cc3)c2cc1OC

COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(OC(F)(F)F)cn3)c2cc1OC

COc1ccc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)c(N)c1

CN(C)C1CCN(C1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1

FC(F)(F)Oc1ccc(cc1)C(=O)N1CCC(CC1)c1ncnc2cc(cnc12)N1CCOCC1

CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1

COc1ccc2ncnc(C3CCN(CC3)C(=O)c3ccc(OC(F)(F)F)cc3)c2c1

COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(C)cc3)c2cc1OC

CC1(O)CCN(C1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1

CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(c2n1)S(C)(=O)=O)C(=O)N1CCC(CC1)N1CCN(C)CC1

COc1ccc2c(ccnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1

Cc1cccc2c(ncnc12)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1

COc1cc2ncnc(C3=CCN(CC3)C(=O)c3ccc(OC(F)(F)F)cc3)c2cc1OC |t:9|

COc1ccc(cc1)C(=O)N1CCC(CC1)c1ncnc2cc(OC)c(OC)cc12

COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(cc3)C(C)(C)C)c2cc1OC

COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(cc3)S(C)(=O)=O)c2cc1OC

CN1CCN(CC1)c1cnc2c(nc(C)nc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N

COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(cc3)C#N)c2cc1OC

Cc1ccc2ncnc(C3CCN(CC3)C(=O)c3ccc(OC(F)(F)F)cc3)c2c1

COc1cc2ncnc(C3CCN(CC3)C(=O)c3cccc(OC(F)(F)F)c3)c2cc1OC

COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(OC(F)(F)F)nc3)c2cc1OC

COc1cc2c(cc1OC)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4)OC(F)(F)F

COc1cc2ncnc(N3CCCN(CC3)C(=O)c3ccc(OC(F)(F)F)cc3)c2cc1OC

CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1

Clc1cccc(C(=O)c2c[nH]c(c2)C(=O)NCc2ccncc2)c1Cl

Fc1cccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1ccncc1

Clc1ccc(cc1)C(=O)c1c[nH]c(c1)C(=O)NCc1ccncc1

Clc1cccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)NCc1ccncc1

Fc1cccc(F)c1C(=O)c1c[nH]c(c1)C(=O)Nc1ccncc1

Fc1cccc(F)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cccnc1

Fc1cccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cccnc1

Fc1cccc(Br)c1C(=O)c1c[nH]c(c1)C(=O)Nc1ccncc1

c1cc(c(c(c1)Br)C(=O)c2cc([nH]c2)C(=O)Nc3cccnc3)F

O=C(NCc1ccncc1)c1cc(c[nH]1)C(=O)c1ccccc1

Fc1ccccc1C(=O)c1c[nH]c(c1)C(=O)NCc1ccncc1

Fc1cccc(c1)C(=O)c1c[nH]c(c1)C(=O)NCc1ccncc1

Clc1cccc(c1)C(=O)c1c[nH]c(c1)C(=O)NCc1ccncc1

Fc1cccc(C(=O)c2c[nH]c(c2)C(=O)NCc2ccncc2)c1F

Fc1ccc(cc1)C(=O)c1c[nH]c(c1)C(=O)NCc1ccncc1

Clc1ccccc1C(=O)c1c[nH]c(c1)C(=O)NCc1ccncc1

Fc1cccc(F)c1C(=O)c1c[nH]c(c1)C(=O)NCc1ccncc1

Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1

CCC(C)N1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc12

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCC3)c2n1)N1CCN(C)CC1

COc1cc(NS(C)(=O)=O)ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1

COc1cc(ccc1Nc1nc(C)c2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1

CCN1c2cnc(nc2N(c3ccccc3C1=O)C)Nc4ccc(cc4OC)N5CCN(CC5)C

CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4CC(F)(F)F)C

CCN1c2cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc2N(C)c2ccccc2C1=O

Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCNC(=O)COc2cnc3c(ncnc3c2)C2CCN(CC2)C(=O)c2ccc(OC(F)(F)F)cc2)C(C)(C)C)cc1 |r|

CN1c2ccccc2C(=O)N(C)c2cnc(N[C@H]3CC[C@H](O)CC3)cc12 |r,wU:17.17,wD:20.21,(8.15,-8.03,;8.47,-6.53,;9.98,-6.17,;10.87,-7.43,;12.41,-7.3,;13.06,-5.89,;12.17,-4.63,;10.64,-4.77,;9.96,-3.38,;10.91,-2.17,;8.45,-3.05,;8.09,-1.56,;7.24,-4.03,;5.91,-3.27,;4.59,-4.04,;4.59,-5.58,;3.26,-6.35,;3.25,-7.88,;4.59,-8.65,;4.58,-10.19,;3.25,-10.95,;3.24,-12.49,;1.92,-10.18,;1.93,-8.65,;5.92,-6.35,;7.25,-5.57,)|

CCOc1cc(ccc1Nc1cc2N(C)c3ccccc3C(=O)N(C)c2cn1)C(=O)N1CCC(CC1)N1CCCC1

CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(F)ccc(F)c2C1=O |r,wU:7.6,wD:10.10,(68.13,-33.18,;68.49,-34.68,;67.28,-35.65,;65.95,-34.89,;64.63,-35.66,;64.62,-37.2,;63.29,-37.97,;63.29,-39.5,;64.63,-40.27,;64.62,-41.81,;63.28,-42.57,;63.28,-44.11,;61.96,-41.8,;61.96,-40.27,;65.96,-37.97,;67.29,-37.2,;68.51,-38.15,;70.02,-37.79,;70.91,-39.05,;70.26,-40.45,;72.45,-38.92,;73.1,-37.51,;72.21,-36.25,;72.85,-34.86,;70.68,-36.39,;70,-35,;70.95,-33.79,)|

CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2cccc(F)c2C1=O |r,wU:7.6,wD:10.10,(51.72,-32.35,;52.07,-33.85,;50.87,-34.83,;49.54,-34.06,;48.21,-34.83,;48.21,-36.37,;46.88,-37.14,;46.88,-38.67,;48.21,-39.44,;48.21,-40.98,;46.87,-41.74,;46.87,-43.28,;45.55,-40.97,;45.55,-39.44,;49.54,-37.14,;50.88,-36.37,;52.1,-37.32,;53.61,-36.96,;54.5,-38.23,;56.04,-38.09,;56.69,-36.68,;55.8,-35.42,;56.44,-34.03,;54.26,-35.56,;53.59,-34.17,;54.53,-32.96,)|

COc1cccc2c1Oc1cc(N[C@H]3CC[C@H](O)CC3)ncc1N(C)C2=O |r,wU:13.13,wD:16.17,(37.79,-40.16,;39.32,-40.03,;39.96,-38.64,;41.5,-38.5,;42.16,-37.09,;41.27,-35.83,;39.73,-35.97,;39.08,-37.37,;37.57,-37.73,;36.35,-36.78,;35.01,-37.55,;33.68,-36.78,;32.35,-37.55,;32.35,-39.09,;33.68,-39.85,;33.67,-41.39,;32.34,-42.16,;32.33,-43.69,;31.01,-41.38,;31.02,-39.85,;33.68,-35.24,;35.01,-34.47,;36.34,-35.24,;37.54,-34.26,;37.18,-32.76,;39.05,-34.58,;40,-33.37,)|

CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(Cl)cccc2C1=O |r,wU:7.6,wD:10.10,(22.76,-32.3,;23.12,-33.79,;21.92,-34.77,;20.58,-34.01,;19.26,-34.78,;19.26,-36.32,;17.93,-37.08,;17.93,-38.62,;19.26,-39.39,;19.25,-40.93,;17.92,-41.69,;17.91,-43.23,;16.59,-40.91,;16.6,-39.39,;20.59,-37.09,;21.92,-36.31,;23.15,-37.27,;24.66,-36.91,;25.54,-38.17,;24.89,-39.56,;27.08,-38.04,;27.73,-36.63,;26.84,-35.37,;25.31,-35.51,;24.63,-34.12,;25.58,-32.91,)|

CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(F)cccc2C1=O |r,wU:7.6,wD:10.10,(8.39,-31.5,;8.74,-32.99,;7.54,-33.97,;6.21,-33.21,;4.88,-33.97,;4.88,-35.51,;3.55,-36.28,;3.55,-37.82,;4.88,-38.58,;4.87,-40.12,;3.54,-40.89,;3.53,-42.42,;2.22,-40.11,;2.22,-38.58,;6.21,-36.28,;7.55,-35.51,;8.77,-36.47,;10.28,-36.1,;11.17,-37.37,;10.52,-38.76,;12.71,-37.23,;13.36,-35.82,;12.47,-34.56,;10.93,-34.7,;10.26,-33.31,;11.2,-32.1,)|

CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2ccccc2C1=O |r,wU:7.6,wD:10.10,(41.22,-16.18,;41.58,-17.68,;40.37,-18.65,;39.04,-17.89,;37.72,-18.66,;37.71,-20.2,;36.38,-20.97,;36.38,-22.5,;37.72,-23.27,;37.71,-24.81,;36.37,-25.57,;36.37,-27.11,;35.05,-24.8,;35.05,-23.27,;39.04,-20.97,;40.38,-20.2,;41.6,-21.15,;43.11,-20.79,;44,-22.05,;45.54,-21.92,;46.19,-20.51,;45.3,-19.25,;43.77,-19.39,;43.09,-18,;44.03,-16.79,)|

CCO[C@@H]1CCCC[C@@H]1Nc1cc2N(C)c3ccccc3C(=O)N(C)c2cn1 |r|

CCO[C@H]1CC[C@@H](CC1)Nc1cc2N(C)c3ccccc3C(=O)N(C)c2cn1 |r,wU:6.9,wD:3.2,(49.06,-13.98,;49.07,-12.44,;50.4,-11.68,;50.41,-10.14,;51.75,-9.38,;51.75,-7.83,;50.42,-7.07,;49.09,-7.83,;49.08,-9.36,;50.42,-5.53,;51.75,-4.76,;53.09,-5.53,;54.42,-4.76,;55.65,-5.72,;55.32,-7.22,;57.16,-5.35,;58.04,-6.62,;59.59,-6.48,;60.24,-5.07,;59.35,-3.81,;57.81,-3.95,;57.13,-2.56,;58.08,-1.35,;55.62,-2.23,;55.26,-.74,;54.41,-3.21,;53.08,-2.45,;51.76,-3.22,)|

CN1c2ccccc2C(=O)N(C)c2cnc(N[C@@H]3CC[C@H](O)CC3)cc12 |r,wU:17.17,20.21,(39.97,-8.02,;40.3,-6.52,;41.81,-6.15,;42.69,-7.42,;44.23,-7.28,;44.88,-5.87,;43.99,-4.61,;42.46,-4.75,;41.78,-3.36,;42.73,-2.15,;40.27,-3.04,;39.91,-1.55,;39.07,-4.02,;37.74,-3.26,;36.41,-4.02,;36.41,-5.56,;35.08,-6.33,;35.08,-7.87,;33.75,-8.63,;33.74,-10.16,;35.07,-10.94,;35.06,-12.47,;36.4,-10.17,;36.41,-8.63,;37.74,-6.33,;39.08,-5.56,)|

Cc1cc(ccc1Cl)Nc2nc(nn2C(=O)NC(C)C)N

Fc1cccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cncnc1

Cc1ncc(NC(=O)c2cc(c[nH]2)C(=O)c2c(F)cccc2Cl)cn1

COc1ncc(NC(=O)c2cc(c[nH]2)C(=O)c2c(F)cccc2Cl)cn1

CN(C)c1ncc(NC(=O)c2cc(c[nH]2)C(=O)c2c(F)cccc2Cl)cn1

Fc1cccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cnc(nc1)N1CCOCC1

CN1CCN(CC1)c1ncc(NC(=O)c2cc(c[nH]2)C(=O)c2c(F)cccc2Cl)cn1

CN1CCN(CC1)c1ncc(NC(=O)c2cc(c[nH]2)C(=O)c2c(Cl)ccc(Cl)c2F)cn1

Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cnc(nc1)N1CCNCC1

Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1ccc(nc1)N1CCNCC1

CN1CCC(CC1)Nc1ncc(NC(=O)c2cc(c[nH]2)C(=O)c2c(Cl)ccc(Cl)c2F)cn1

Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cnc(CN2CCNCC2)nc1

CN1CCN(Cc2ncc(NC(=O)c3cc(c[nH]3)C(=O)c3c(Cl)ccc(Cl)c3F)cn2)CC1

CN(C1CCN(C)CC1)c1ccc(NC(=O)c2cc(c[nH]2)C(=O)c2c(Cl)ccc(Cl)c2F)cn1

Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1ccc(CN2CCNCC2)nc1

CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]3)C(=O)c3c(Cl)ccc(Cl)c3F)cn2)CC1

CN1CCC(Cc2ccc(NC(=O)c3cc(c[nH]3)C(=O)c3c(Cl)ccc(Cl)c3F)cn2)CC1

CN1CCC(CC1)Oc1ccc(NC(=O)c2cc(c[nH]2)C(=O)c2c(Cl)ccc(Cl)c2F)cn1

Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cn[nH]c1

Cn1cc(cn1)NC(=O)c2cc(c[nH]2)C(=O)c3c(ccc(c3F)Cl)Cl

Cn1ccc(NC(=O)c2cc(c[nH]2)C(=O)c2c(Cl)ccc(Cl)c2F)n1

Cc1cc(NC(=O)c2cc(c[nH]2)C(=O)c2c(Cl)ccc(Cl)c2F)on1

Cn1cnc(NC(=O)c2cc(c[nH]2)C(=O)c2c(Cl)ccc(Cl)c2F)c1

Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cnn(c1)C1CCNCC1

CN1CCC(CC1)n1cc(NC(=O)c2cc(c[nH]2)C(=O)c2c(Cl)ccc(Cl)c2F)cn1

Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cnn(CC2CCNCC2)c1

CN1CCC(Cn2cc(NC(=O)c3cc(c[nH]3)C(=O)c3c(Cl)ccc(Cl)c3F)cn2)CC1

CCC(C)N1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3OC)C(=O)N3CCC(CC3)N3CCN(C)CC3)nc12

CN(C)Cc1cccc(N\C(=C2/C(=O)Nc3cc(ccc23)C(N)=O)c2ccccc2)c1

CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(CCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(cc2)-c2scnc2C)C(C)(C)C)CC1 |r|

COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(CCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(cc2)-c2scnc2C)C(C)(C)C)CC1 |r|

CCOC(=O)CCCCCCN1CCN(CC1)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)c(OC)c1

Nc1cc(OC(F)(F)F)ccc1C(=O)N1CCC(c2c(F)cnc3[nH]c(C4CCOCC4)nc23)CC1

COC12CC(c3nc4c(C5CCN(C(=O)c6ccc(OC(F)(F)F)cc6)CC5)c(F)cnc4[nH]3)(C1)C2

COC12CC(c3nc4c(C5CCN(C(=O)c6ccc(OC(F)(F)F)cc6N)CC5)c(F)cnc4[nH]3)(C1)C2

CO[C@H]1CC[C@H](c2nc3c(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)CC4)c(F)cnc3[nH]2)CC1

COC(C)(C)c1nc2c(C3CCN(C(=O)c4ccc(OC(F)(F)F)cc4N)CC3)c(F)cnc2[nH]1

CO[C@H]1CC[C@H](c2nc3c(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5N)CC4)c(F)cnc3[nH]2)CC1

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CC2CC2C1

Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12

CN1C(=O)c2ccccc2N(C)c2nc(NCCc3cnc[nH]3)ncc21

CN1CCC(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3C)CC1

CC(C)Oc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1

COc1cc(NCCN(C)C)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccc(F)cc1C(=O)N2C

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1cc(C)ccc1C(=O)N2C

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC