Compound Name

SMILES String

N#CC(C#N)=c1ccc2=NC3(CCCCC3)Nc2c1 |t:8,(7.69,6.11,;6.92,4.78,;6.16,3.44,;4.62,3.43,;3.08,3.43,;6.94,2.11,;8.54,2.11,;9.33,.71,;8.51,-.66,;8.98,-2.13,;7.74,-3.03,;9.07,-3.8,;9.07,-5.34,;7.74,-6.11,;6.4,-5.34,;6.4,-3.8,;6.49,-2.13,;6.97,-.66,;6.14,.71,)|

[O-]N1C2=C(CCC2)[N+](=O)c2cc(N3CCCC3)c(F)cc12 |t:2|

COC(=O)c1ccc2N=C3CCCC(=O)C3Sc2c1 |t:8|

CCOC(=O)N1CCN(Cc2nc(no2)-c2ccc(C)cc2)CC1

Cc1cc2c(N)cccc2nn1

COc1ccc2ccccc2c1C(O)c1nccn1C

Oc1ccc2ccc3cccc[n+]3c2c1

Cc1cc2cc(CNS(=O)(=O)c3ccc4ccccc4c3)ccc2n1C

Cc1cc2cc(CNC(=O)c3ccc(cc3)S(=O)(=O)N3CCOCC3)ccc2n1C

Cc1cc2ccccc2n1CCNS(=O)(=O)c1c(C)cc(C)cc1C

CCCC(Nc1ccc(N)cc1)=C1C(=O)CC(C)(C)C(C(=O)OC)C1=O |w:12.25|

NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)-c3ccccc3)cc2)cc1

Clc1ccc(NC(=O)c2csc(n2)-c2ccccc2)cc1

CN1CCS\C1=C\C=C1\SC(=S)N(Cc2ccccc2)C1=O

COc1ccc(N)c2C(=O)c3ccccc3C(=O)c12

Oc1ccc2ccc3OC(=N)C(C#N)C(c4ccsc4)c3c2c1

O=C(N\N=C\c1cn(CC#C)c2ccccc12)c1cc2ccccc2o1

O=C(COC(=O)c1cc(nc2ccccc12)-c1cccc2ccccc12)NC1CCS(=O)(=O)C1

CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1

CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(17.73,-40.24,;19.06,-41.01,;19.06,-42.55,;20.39,-40.24,;20.4,-38.7,;21.73,-37.93,;23.06,-38.69,;24.39,-37.91,;25.73,-38.69,;27.06,-37.93,;28.39,-38.69,;28.39,-40.23,;27.06,-41,;25.73,-40.23,;24.39,-41.01,;23.06,-40.24,;21.73,-41.01,;29.73,-41,;29.73,-42.54,;31.06,-40.23,)|

C1Cc2ccccc2CN1C1=Nc2cccc3cccc1c23 |t:12|

CCn1c(CSc2nnc(N)[nH]2)nc2cc(ccc12)C(O)=O

Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1O

[O-][N+](=O)c1cccc2C(=O)CC(=O)c12

CCOC(=O)c1ccc(NCC#C)cc1

CC1(OC(=O)c2ccco2)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:15,18,t:13|

Nc1c(SCCC(O)=O)ccc2C(=O)c3ccccc3C(=O)c12

CN1C(=O)NC(C2=C1CCCC2=O)c1ccccc1[N+]([O-])=O |c:6|

CN1CCOc2cc(c(C)cc12)S(=O)(=O)N1CCN(CC1)c1cccc(C)c1C

COc1ccc(CN=Nc2nc(O)c(CC(O)=O)s2)cc1OCc1ccc(Cl)cc1 |w:8.8|

[H][C@]12COc3ccccc3[C@]1([H])N1C(=O)CN(Cc3ccc(C)cc3)C(=O)[C@@]1(C)[C@H]2C(=O)OCC

COc1cc(NCCCC(C)N)c2ncccc2c1

OCCNCCCNc1cccc2C(=O)c3c(NCCCNCCO)cccc3C(=O)c12

CCOC(=O)C1(C)C(=O)CC2N(Cc3cc4ccccc4nc23)C1=O

CCOC(=O)c1[nH]c2cccc3C(=O)C=Cc1c23 |c:14|

C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6

O=C(CSc1nnc(SCc2cccc3ccccc23)s1)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1