Compound Name

SMILES String

COC(=O)[C@@H](CC(=O)c1cccc(c1)C(=O)C[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)Cc1c[nH]c2ccccc12 |r|

COC(=O)[C@@H](CC(=O)Cc1ccc(\C=C\c2ccc(CC(=O)C[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC)cc2)cc1)Cc1c[nH]c2ccccc12 |r|

O=S(=O)(Nc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1)c1cccc2ccccc12

O=S(=O)(Nc1cccc(NS(=O)(=O)c2cccc3ccccc23)c1)c1cccc2ccccc12

CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F

NCCNS(=O)(=O)c1cccc2c(Cl)cccc12

NCCCCCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12

OC(=O)CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

FC(F)(F)c1ccc2Sc3ccccc3N(CCCN3CCCCC3)c2c1

OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

OC(=O)C1(O)CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

OCCN(CCO)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F

OC(CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1)C(O)=O

OCCOCCOCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

CN1CCN(CCCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

FC(F)(F)c1ccc2Sc3ccccc3N(CCCCN3CCCCC3)c2c1

CS(=O)(=O)NC(=O)CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

CN1CCN(CC(O)CN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

OCCN1CCN(CC(O)CN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

OC(CN1CCN(CC(O)=O)CC1)CN1c2ccccc2Sc2ccc(cc12)C(F)(F)F

OCCN(CCO)CC(O)CN1c2ccccc2Sc2ccc(cc12)C(F)(F)F

OC(CN1CCN(CC(O)C(O)=O)CC1)CN1c2ccccc2Sc2ccc(cc12)C(F)(F)F

OCCOCCOCCN1CCN(CC(O)CN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

OC(=O)COCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

OC(CN1CCN(CCOCC(O)=O)CC1)CN1c2ccccc2Sc2ccc(cc12)C(F)(F)F

OC[C@H]1O[C@H](CCN2CCN(CCCN3c4ccccc4Sc4ccc(cc34)C(F)(F)F)CC2)[C@H](O)[C@@H](O)[C@@H]1O |r|

OC[C@H]1O[C@H](CCN2CCN(CC(O)CN3c4ccccc4Sc4ccc(cc34)C(F)(F)F)CC2)[C@H](O)[C@@H](O)[C@@H]1O |r|

CN(CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F)CCC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|

CN(CCC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(O)CN1c2ccccc2Sc2ccc(cc12)C(F)(F)F |r|

OC[C@H]1OC(CCNCCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O |r|

OC[C@H]1OC(CCNCC(O)CN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O |r|

COCCOCCOCCN1CCN(CC(O)CN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

OCC(O)CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

OCC(O)CN1CCN(CC(O)CN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

OC[C@@H](O)CNC(=O)CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 |r|

OC[C@@H](O)CNC(=O)CN1CCN(CC(O)CN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 |r|

FC(F)(F)c1ccc2Sc3ccccc3N(CCCN3CCC4(CC3)NC(=O)NC4=O)c2c1

FC(F)(F)c1ccc2Sc3ccccc3N(CCCN3C(=O)NC4(CCNCC4)C3=O)c2c1

OC(CN1CCC2(CC1)NC(=O)NC2=O)CN1c2ccccc2Sc2ccc(cc12)C(F)(F)F

OC(CN1C(=O)NC2(CCNCC2)C1=O)CN1c2ccccc2Sc2ccc(cc12)C(F)(F)F

OC(CN1CCC2(CC1)NCNC2=O)CN1c2ccccc2Sc2ccc(cc12)C(F)(F)F

OC(CN1CCC2(CNC(=O)N2)CC1)CN1c2ccccc2Sc2ccc(cc12)C(F)(F)F

NC(=O)[C@H](CO)NC(=O)CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 |r|

NS(=O)(=O)NCC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

NS(=O)(=O)NCC1CCN(CC(O)CN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

NC(=O)NCC1CCN(CC(O)CN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)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

CCCCOc1ccc(cc1OCCCC)[C@@H](C)NCCCNCCC(c1ccccc1)c1ccccc1 |r|

CC(=C)[C@H]1COc2c(C)cc3oc4c(C[C@H](Cl)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1O |r|

CO[C@H]([C@@H]1OC1(C)C)c1ccc(O)c2c1oc1cc(C)c3OC[C@@H]([C@@H](O)c3c1c2=O)C(C)=C |r|

[#6]\[#6](-[#6])=[#6]\[#6]-c1ccc(-[#8])c2c1oc1cc(-[#6])c3-[#8]-[#6]-[#6@@H](-[#6@@H](-[#8])-c3c1c2=O)-[#6](-[#6])=[#6] |r|

CC(=C)[C@H]1COc2c(C)cc3oc4c(C[C@H](O)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1O |r|

CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl

c1ccc(cc1)C2=CC(=O)c3ccccc3O2

Oc1c(oc2ccccc2c1=O)-c1ccccc1

Oc1ccc2oc(cc(=O)c2c1)-c1ccccc1

Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1

c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O

c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O

Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|

COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1

COc1cc(O)cc(CCCc2ccc(O)c(OC)c2)c1

Oc1cccc(CCCc2ccc3OCOc3c2)c1

COc1ccc(CCCc2ccc(O)cc2)cc1

COc1cc(O)cc(c1)C(=O)\C=C\c1ccc(O)c(OC)c1

COc1cc(O)cc(c1)C(=O)\C=C\c1ccc(OC)c(O)c1

COc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1

C(c1ccccc1)c1ccccc1

COc1cc(Cc2ccc(O)c(OC)c2)cc(OC)c1

COc1cc(Cc2cccc(OC)c2O)cc(OC)c1

CCOc1ccc(CCc2cc(O)cc(OC)c2)cc1OC

CCOc1ccc(CCc2cccc(O)c2)cc1OC

COc1ccc(CCc2cc(OC)cc(OC)c2)cc1

Oc1cccc(CCc2ccc3OCOc3c2)c1

COc1cc(CCc2ccc(cc2)N(C)C)cc(OC)c1

COc1cc(O)cc(CCc2ccc(cc2)N(C)C)c1

CCOc1ccc(CCc2cc(OC)cc(OC)c2)cc1OC

COc1cc(O)cc(CCc2ccc3OCOc3c2)c1

COc1ccc(CCc2cc(O)cc(OC)c2)cc1

COc1cc(O)cc(CCc2ccc(O)c(OC)c2)c1