Compound Name

SMILES String

Cc1ccc(o1)-c1c2CCCCc2[nH]c(=S)c1C#N

Oc1ccc2C(=O)\C(Oc2c1CN1CCCCC1)=C\c1ccco1

Cn1cc(C(c2cn(C)c3ccccc23)c2ccccn2)c2ccccc12

FC(F)(F)c1cnc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)c(Cl)c1

COc1ccc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)cc1OC |c:9|

Clc1ccc(cc1Cl)-c1c[n+](CC(=O)N2c3ccccc3Sc3ccccc23)c2CCCn12

CCCCCCCCCCCC[N+](C)(C)CC#C

Cc1cccc(C)c1-n1c(SCC(=O)N2CC(=O)Nc3ccccc23)nc2ccccc2c1=O |(7.18,-2.02,;7.18,-3.56,;5.85,-4.33,;5.85,-5.87,;7.18,-6.64,;8.52,-5.87,;9.85,-6.64,;8.52,-4.33,;9.85,-3.56,;9.85,-2.02,;8.52,-1.25,;8.52,.29,;7.18,1.06,;5.85,.29,;7.18,2.6,;8.52,3.37,;8.52,4.91,;9.85,5.68,;7.18,5.68,;5.85,4.91,;4.47,5.74,;3.08,4.94,;3.08,3.34,;4.47,2.55,;5.85,3.37,;11.19,-1.25,;12.52,-2.02,;13.9,-1.19,;15.29,-1.99,;15.29,-3.59,;13.9,-4.38,;12.52,-3.56,;11.19,-4.33,;11.19,-5.87,)|

Cc1ccc(cc1NC(=O)COC(=O)CNC(=O)c1ccccc1)S(=O)(=O)N1CCOCC1

COc1cccc(C2CC(=NN2S(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1OC |c:9|

NC(=O)c1nc(nc2n(-c3ccc(Cl)c(Cl)c3)c(=O)[nH]c12)-c1ccco1

Cc1noc(C)c1C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)C21CC(=NO1)c1ccc(Cl)cc1 |c:31|

CC(C)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)C21CC(=NO1)c1ccccc1 |c:26|

CC(C)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)C21CC(=NO1)c1ccc(Cl)cc1 |c:26|

CCN(CC)c1ccc(C=Cc2cc(-c3ccccc3)c3ccccc3n2)cc1

COc1ccc2nc(C)cc(Sc3nc4ccccc4s3)c2c1

OC(=O)C(N1C(=S)S\C(=C\c2ccc(O)c(O)c2)C1=O)c1ccccc1

COCCn1c(=S)[nH]c2sc3CCCCc3c2c1=O

COc1ccc(CCOC(=O)c2ccc(N)c(c2)[N+]([O-])=O)cc1

Nc1c(Cl)cc(cc1Cl)C1=NCCn2nc3ccccc3c12 |t:10|

Cc1ccc(C)c(c1)C(=O)COC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1

Brc1ccc(CN2C(=O)C(Cc3ccccc3)Nc3ncnc(N4CCN(CC4)c4ccccc4)c23)cc1

COc1ccc(cc1)S(=O)(=O)N(C)C[C@H]1Oc2c(NC(=O)NC3CCCCC3)cccc2C(=O)N(C[C@@H]1C)[C@H](C)CO

COc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1

COc1ccccc1-c1sc2ccccc2c1-c1ccc(OCCN2CCCCC2)cc1

COc1ccc2sc(c(-c3ccc(OCCN4CCOCC4)cc3)c2c1)-c1ccccc1OC

COc1ccc2sc(c(-c3ccc(OCCN(C)C)cc3)c2c1)-c1ccccc1OC

COc1ccc2sc(c(-c3ccc(OCCN4CCCCC4)cc3)c2c1)-c1cc(OC)cc(OC)c1

COc1ccc2sc(c(-c3ccc(OCCN4CCOCC4)cc3)c2c1)-c1cc(OC)cc(OC)c1

COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1C(F)(F)F |c:11|

OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O

CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c1ccc(Br)cc1)C(=O)Nc1ccccc1 |c:5|

Fc1ccc2OC3(CCN(CC3)C(=O)c3ccc4OCOc4c3)C3(CC(=NO3)c3ccccc3)C(=O)c2c1 |c:28|

Fc1ccc2OC3(CCN(CC3)C(=O)\C=C\c3cccs3)C3(CC(=NO3)c3ccccc3)C(=O)c2c1 |c:25|

COc1cccc(c1)-c1sc2ccc(OC)cc2c1-c1ccc(OCCN(C)C)cc1

COc1ccc2sc(c(-c3ccc(OCCN4CCCC4)cc3)c2c1)-c1ccccc1OC