Compound Name

SMILES String

C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccccc1 |c:3|

C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccco1 |c:3|

C1Oc2ccc(cc2O1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:13|

CC(C)C(=O)NCCn1c(C)cc2ccccc12

CCOCCSc1nc2\C(CCc2c(-c2cccs2)c1C#N)=C/c1cccs1

CCOc1ccc2nc3cc(NCc4ccc(OC)cc4)ccc3c(N)c2c1

CCS(=O)(=O)N1N=C(CC1c1ccccc1)c1cccc(NS(C)(=O)=O)c1 |c:6|

CCSc1nnc(o1)-c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N

CN(C)c1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1 |t:10|

CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:12|

COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccccc1)c1ccccc1 |c:15|

COc1ccc(OC)c(c1)-c1nc2cc3ccccc3cc2nc1-c1ccccc1

COc1ccc(cc1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1

COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1 |t:9|

COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1nc(C)cs1 |t:9|

COc1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1 |t:9|

COc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:11|

COc1ccc(cc1OC)C1=NN(C(C1)c1ccccc1)c1nc(C)cs1 |t:11|

COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccccc1 |c:13|

COc1ccc(cc1OC)C1CC(=NN1c1nc(C)c(s1)C(C)=O)c1cccs1 |c:13|

COc1cccc(c1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:11|

COc1ccccc1C1CC(=NN1c1ccccc1)c1ccccc1 |c:11|

COc1ccccc1N1N=C(CC1c1ccccc1)c1ccccc1 |c:10|

COc1ccccc1[N+]1=N[C-](CC1c1ccccc1)c1ccc(cc1)[N+]([O-])=O |t:9|

CS(=O)(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccccc1 |c:5|

CSc1nnc2n(nc(C)c2n1)-c1cccc(C)c1

Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1O

Cc1cc2cc(CNC(=O)c3c(C)onc3-c3ccccc3Cl)ccc2n1C

Cc1cc2ccccc2n1CCNC(=O)COc1ccccc1

Cc1cc2ccccc2n1CCNC(=O)Cc1ccccc1

Cc1cc2ccccc2n1CCNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1

Cc1ccc(cc1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1

Cc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1 |t:8|

Cc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:10|

Cc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|

Cc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|

Cc1ccnc(NC(c2ccccc2)c2ccc3cccnc3c2O)c1

Cc1csc(n1)N1N=C(CC1c1ccc(C)cc1)c1cccs1 |c:8|

Cc1csc(n1)N1N=C(CC1c1ccc(F)cc1)c1cccs1 |c:8|

Cc1csc(n1)N1N=C(CC1c1cccc(C)c1)c1cccs1 |c:8|

Cc1csc(n1)N1N=C(CC1c1ccccc1)c1ccc(C)cc1 |c:8|

Cc1csc(n1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:8|

Cc1csc(n1)N1N=C(CC1c1ccccc1)c1ccccc1C |c:8|

Clc1c2oc3ccccc3nc2c2ccccc2c1=O

Clc1ccc(cc1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1

Clc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1 |t:8|

Clc1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1 |t:8|

Clc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:10|

Clc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|

Clc1cccc(c1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:10|

Clc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|

Cn1c2ccccc2nc(\C=C\c2ccccc2)c1=O

Fc1ccccc1C1CC(=NN1c1ccccc1)c1ccccc1 |c:10|

O=C(Cc1ccccc1)c1ccccn1

O=C(Cc1nc2ccccc2n(-c2ccccc2)c1=O)c1ccccc1

O=C(N1CCOCC1)c1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1

O=C(NC1CC1)Nc1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1

O=C(NC1CC1)c1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1

O=C(NC1CCCCC1)c1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1

O=C(NCc1ccccc1)c1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1

O=C(Nc1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1)N1CCCCC1

O=C(Nc1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1)N1CCOCC1

O=C(Nc1ccc2nc3ccccc3nc2c1)c1ccccc1

O=C1N=C(Nc2nc3ccccc3[nH]2)c2ccccc12 |t:2|

OC(=O)c1ccc(NC(c2ccccc2)c2ccc3cccnc3c2O)cc1

[H]C12CCC([H])(C1)c1c2cc(-c2ccc(F)nc2)c2ccn(C)c12 |TLB:23:7:6:3.2,THB:9:8:6:3.2|

[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1c[nH]c(=O)[nH]c1=O

[O-][N+](=O)c1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1 |t:10|

[O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1 |t:10|

[O-][N+](=O)c1cccc(c1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1

[O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccccc1 |c:13|

c1c(nc2nc(-c3ccccc3)c(nn12)-c1ccccc1)-c1ccccc1

c1c(nn(c1-c1ccccc1)-c1ccccc1)-c1ccccc1

c1ccc(cc1)-c1nc(c(o1)-c1ccccc1)-c1ccccc1