Compound Name

SMILES String

NC1CCCN(C1)C1CC(CC1n1nccn1)c1ccc(F)cc1

NC1CCCN(C1)C1CC(CC1n1cc(cn1)C#N)c1ccc(F)cc1

NC1CCCN(C1)C1CC(CC1n1ccc(n1)C#N)c1ccc(F)cc1

NC1CCCN(C1)C1CC(CC1n1ccc(c1)C#N)c1ccc(F)cc1

NC1CCCN(C1)C1CC(CC1n1cc(nn1)C#N)c1ccc(F)cc1

NC1CC(F)CN(C1)C1CC(CC1n1cc(cn1)C#N)c1ccc(F)cc1

NC1CN(CCC1(F)F)C1CC(CC1n1cc(cn1)C#N)c1ccc(F)cc1

NC1CCCN(C1)C1CC(CC1n1cccn1)c1ccc(F)cc1

NC1CC(F)CN(C1)C1CC(CC1n1cccn1)c1ccc(F)cc1

N[C@@H]1C[C@@H](F)CN(C1)[C@@H]1C[C@@H](C[C@H]1n1cncn1)c1ccc(F)cc1

NC1CC(F)CN(C1)C1CC(CC1n1ncnn1)c1ccc(F)cc1

NC1CCCN(C1)C1CC(CC1n1ncnn1)c1ccc(F)cc1

NC1CCCN(C1)C1CC(CC1n1cnc(n1)C#N)c1ccc(F)cc1

NC1CCCN(C1)C1CC(CC1Oc1ccc(cc1)C#N)c1ccc(F)c(O)c1

COc1cc(ccc1F)C1CC(Oc2ccc(cc2)C#N)C(C1)N1CCCC(N)C1

NC1CCCN(C1)C1CC(CC1Oc1ccc(cc1Cl)C#N)c1cccc(F)c1

NC1CN(CCC1(F)F)C1CC(CC1Oc1ccc(cc1)C#N)c1ccc(F)cc1

NC1CN(CC(F)(F)C1)C1CC(CC1Oc1ccc(cc1)C#N)c1ccc(F)cc1

NC1CCCN(C1)C1CC(CC1Oc1ccc(C#N)c(F)c1)c1ccc(F)cc1

NC1CCCN(C1)C1CC(CC1Oc1ccccc1C#N)c1ccccc1

NC1CCCN(C1)C1CC(CC1Oc1ccc(cc1Cl)C#N)c1ccccc1

Cc1cc(nnc1OC1CC(CC1N1CC(N)CC(F)C1)c1ccc(F)cc1)C#N

NC1CCCN(C1)C1CC(CC1Oc1nnccc1Cl)c1ccc(F)cc1

NC1CC(F)CN(C1)C1CC(CC1Oc1ccc(nn1)C#N)c1ccc(F)cc1

NC1CCCN(C1)C1CC(CC1Oc1cc(F)cnn1)c1ccc(F)cc1

N[C@@H]1CCCN(C1)C1CC(CC1Oc1ccc(cn1)C#N)c1ccc(F)cc1

NC1CCCN(C1)C1CC(CC1Oc1ccc(cn1)C#N)c1ccc(F)cc1

NC1CCCN(C1)C1CC(CC1Oc1cccnn1)c1ccc(F)cc1

NC1CC(F)CN(C1)C1CC(CC1Oc1ccncn1)c1ccc(F)cc1

NC1CCCN(C1)C1CC(CC1Oc1ncc(cn1)C#N)c1ccc(F)cc1

NC1CCCN(C1)C1CC(CC1Oc1cnc(cn1)C#N)c1ccc(F)cc1

NC1CCCN(C1)C1CC(CC1Oc1cnc(nc1)C#N)c1ccc(F)cc1

Cc1nn2c(O)cc(nc2c1-c1ccc(F)cc1)C1CCN(CC1)C(=O)OCc1ccccc1

CCOC(=O)N1CCC(CC1)c1cc(O)n2nc(C)c(-c3ccc(F)cc3)c2n1

CCOC(=O)N1CCC(CC1)c1cc(O)n2nc(C)c(-c3ccc(cc3)C(F)(F)F)c2n1

Cc1nn2c(O)cc(nc2c1-c1ccc(Cl)cc1)C1CCN(CC1)C(=O)OCc1ccccc1

OC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r|

[#6]-[#6]-[#8]-[#6](=O)-c1cnn(c1C(F)(F)F)-c1ccc(-[#7]-[#6](=O)-[#6](\Cl)=[#6](/Cl)Cl)cc1

C1CCN(CC1)c1nc2ccccc2[nH]1

c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)CN4CCCC4

Cc1nnsc1C(=O)Nc1ccc(cc1)-n1nc(cc1C(F)(F)F)C(F)(F)F

Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-n1nc(cc1C(F)(F)F)C(F)(F)F

CCCCNc1nc2ccccc2[nH]1

C1C2CC3CC1CC(C2)(C3)Nc1nc2ccccc2[nH]1 |TLB:4:3:0.5.6:8,THB:4:5:8:2.3.9,9:3:0:6.7.8,9:7:0:2.4.3|

CC1CCCCN1c1nc2ccccc2[nH]1

C1CCN(C1)c1nc2ccccc2[nH]1

CC1CCN(CC1)c1nc2ccccc2[nH]1

CC1CCN(CC1)c1nc2cc(Cl)ccc2[nH]1

Fc1cnccc1C(=O)Nc1ccc(cc1)-n1nc(cc1C(F)(F)F)C(F)(F)F

c1ccc2c(c1)C[C@H]([C@@H]2Oc3ccc(cc3Cl)C#N)N4CCC[C@H](C4)N

CCNC(=O)c1cnn(c1C(F)(F)F)-c1ccc(cc1)-n1ccc(Cl)c(Cl)c1=O

NCCN(Cc1ccc2ccccc2c1)c1nc(C(=O)Nc2ccc(O)cc2)cs1

CC1CC(C)CN(C(=O)c2csc(Nc3ccc4c(c3)OCO4)n2)C1

C[C@H]1CCCN([C@H]1C)C(=O)c1nc(Nc2ccc(Cl)cc2F)sc1C |r|

C=C[C@@](C)(O)CC[C@H]1C(=C)C[C@H](OC(=O)NC)[C@H]2C(C)(C)CCC[C@]12C

CC1CCCN(C1C)C(=O)c1nc(Nc2cc3OCOc3cc2F)sc1Cl

COC(c1ccc(F)cc1Cl)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2

O=c1[nH]ncc(N2CCc3c(ncnc3Oc3ccc(F)cc3C(F)(F)F)C2)c1Cl

Cc1sc(Nc2ccc(Cl)cc2F)nc1C(=O)N1CCc2ncccc2C1

CC1N(CCc2ncccc12)C(=O)c1nc(Nc2ccc3OCOc3c2)sc1C

CC1N(CCc2ccccc12)C(=O)c1nc(Nc2ccc3OCOc3c2)sc1C

CC1N(CCc2ccccc12)C(=O)c1csc(Nc2ccc3OCOc3c2)n1

O=C(N1CCc2ccccc2C1)c1csc(Nc2ccc3OCOc3c2)n1

COc1ccc(Nc2nc(cs2)C(=O)N2CCc3ccccc3C2)cc1

C[C@@H]1CCCN([C@@H]1C)C(=O)c1nc(Nc2ccc(Cl)cc2F)sc1C |r|

CC1CCCN(C1C)C(=O)c1nc(Nc2cc3OCOc3cc2F)sc1C

CC1CCCN(C1C)C(=O)c1csc(Nc2ccc3OCOc3c2)n1

CC1CCCN(C1C)C(=O)c1csc(Nc2ccc(C)cc2)n1

Cc1ccc(Nc2nc(cs2)C(=O)N2CCC(CC2)C2CCCCC2)cc1

COc1ccc(Nc2nc(cs2)C(=O)N2CCC(CC2)c2ccccc2)cc1

Cc1ccc(Nc2nc(cs2)C(=O)N2CCCC(C2)c2ccccc2)cc1

Cc1ccc(Nc2nc(cs2)C(=O)N2CCCCC2c2ccccc2)cc1

CC1CCCCN1C(=O)c1csc(Nc2ccc(C)cc2)n1

CC1CCN(CC1)C(=O)c1csc(Nc2ccc3OCOc3c2)n1

CC1CCN(CC1)C(=O)c1csc(Nc2ccc(Cl)cc2F)n1

CC1CCN(CC1)C(=O)c1csc(Nc2ccccc2Cl)n1

COc1ccc(Nc2nc(cs2)C(=O)N2CCC(C)CC2)cc1

CC1CCN(CC1)C(=O)c1csc(Nc2ccc(Cl)cc2)n1

CC1CCN(CC1)C(=O)c1csc(Nc2ccc(C)cc2)n1

COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C

FC(F)(F)c1cccc(c1)-c1nc2cc(Br)ccc2c(C(=O)NC2(CC2)c2ccccc2)c1CN1CCC(CC1)N1CCCCC1