Compound Name

SMILES String

[H][C@@]12CC[C@@]3(C)[C@]4([H])CC=C(C=O)[C@H](C=O)[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O |r,t:9|

OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O

CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1

O=C1NCCc2c(OCCCCN3CCCCC3)cccc12

Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1

Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1

OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1ccccc1

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r|

Cc1cccc(Nc2ccccc2C(O)=O)c1

NC(Cc1ccc(cc1)-c1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O |r|

Nc1ncnc2n(CCCCOP(O)(=O)OP(O)(=O)OC[C@H]3OC(O)[C@H](O)[C@@H]3O)cnc12 |r|

CC(=O)c1cccc(c1)-c1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC(O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c(nc12)-c1ccsc1 |r|

Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c(nc12)-c1ccccc1 |r|

Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c(Br)nc12 |r|

CCCCCc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1

NCCOB(c1ccccc1)c1ccccc1

Cc1cc(Cl)cc2C(=O)NC(Nc12)c1c[nH]nc1-c1cccc2ccccc12

Cc1cc(Br)cc2C(=O)NC(Nc12)c1c[nH]nc1-c1cccc2ccccc12

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

Cc1cc(Br)cc2C(=O)NC(Nc12)c1c[nH]nc1-c1ccccc1

Cc1cc(Cl)cc2C(=O)NC(Nc12)c1c[nH]nc1-c1ccccc1

OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r|

CCOC(=O)Cn1nc(c2CCCCCc12)-c1ccc(cc1)C(F)(F)F

OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1cccc(F)c1

OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1cccc(c1)C(F)(F)F

OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O

CCCCCc1ccc(\C=C\C(=O)Nc2cc(C)ccc2C(O)=O)cc1

CCCCCc1ccc(\C=C\C(=O)Nc2ccc(C)cc2C(O)=O)cc1

OC(=O)c1cc(Br)ccc1NC(=O)\C=C\c1ccc(cc1)-c1ccccc1

CCN(CC)CCn1c2ccccc2n2c(C(=O)c3cc4ccccc4o3)c(C)nc12

CCN(CC)CCn1c2ccccc2n2c(C(=O)c3ccc(cc3)-c3ccccc3)c(C)nc12