Compound Name

SMILES String

CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C

CC\C(\C=C\[C@@H]1OC(=O)C=C[C@@H]1C)=C\C(C)C |r,c:9|

CC\C(\C=C\[C@H]1CC=CC(=O)O1)=C\[C@H](C)C\C=C\C(\C)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C\C(C)=C\C |r,c:7|

[O-][S+](\C=C\CCN=C=S)c1ccccc1

FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1ncn(\C=C/C(=O)NNc2cnccn2)n1

[O-][S@@+](\C=C\CCN=C=S)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|

NC(=O)c1c(NC(NC(=O)c2ccccc2F)(C(F)(F)F)C(F)(F)F)sc2CCCCc12

COc1cc(cc(OC)c1OC)-c1nc(c(o1)N(C)C)S(=O)(=O)c1ccc(Cl)cc1

CCOC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(cc1)[N+]([O-])=O

COc1cc2cnsc2s1

CC(C)CCNC\C=C\[S+]([O-])c1cc(cc(c1)C(F)(F)F)C(F)(F)F

Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C

[H][C@]1(C[C@H](O)[C@H](C)[C@@H](O1)\C=C\C)[C@H](N)\C=C\C=C(/C)C[C@@H](C)\C=C(\C)/C=C/[C@H](O)C[C@H](N)CC(=O)OC |r|

[H][C@]1(C[C@H](O)[C@H](C)[C@@H](O1)\C=C\C)[C@H](N)\C=C\C=C(/C)C[C@@H](C)\C=C(\C)/C=C/[C@H](O)C[C@H](N)CC(O)=O |r|

[H][C@]1(C[C@H](O)[C@H](C)[C@@H](O1)\C=C\C)[C@@H](N)\C=C\C=C(/C)C[C@@H](C)\C=C(\C)/C=C/[C@H](O)C[C@H](N)CC(=O)OC |r|

COc1cc(cc(c1)C(F)(F)F)-c1ncn(\C=C/C(=O)OC(C)C)n1

OC(=O)c1ccc(N2CCN(CC2)c2cc(ccc2C(F)(F)F)C(F)(F)F)c(NC(=O)c2ccc(Cl)cc2)c1

OC(=O)c1ccc(N2CCN(CC2)c2cc(ccc2C(F)(F)F)C(F)(F)F)c(NC(=O)c2ccc(Br)cc2)c1

OC(=O)c1ccc(N2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(NC(=O)c2ccc(Br)cc2)c1

Cc1ccc(c(c1)N2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(cc4)Cl)C(=O)O)C

FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)nc1C(F)(F)F

Cc1nc(Cl)ncc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

O=C(Nc1cc(F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1C(F)(F)F

O=C(Nc1cc(F)cc(F)c1)c1cnc(Cl)nc1C(F)(F)F

FC(F)(F)c1nc(Cl)ncc1C(=O)Nc1ccccc1

O=C(/C=C 1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NC1CC(F)(F)C1

O=C(/C=C 1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1ccccn1

NC(=O)/C(=C 1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)c1cncnc1

COc1cccc2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1 |t:15|

CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3ccccc23)C1=O

CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3ccccc23)C1=O

CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3ccncc23)C1=O

CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3cccc(C(F)(F)F)c23)C1=O

CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3cccc(C4CC4)c23)C1=O

CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3cc(C4CC4)ccc23)C1=O

CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3c(F)cccc23)C1=O

CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3ncccc23)C1=O

CC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(Cl)n2)C1=O

CC1=CC(=O)N(N(C)c2ccc(C(F)(F)F)c(Cl)n2)C1=O

CC1=CC(=O)N(Nc2ccc(C(F)(F)F)cn2)C1=O

CC1=CC(=O)N(Nc2cccc(Cl)n2)C1=O

CC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(C(F)(F)F)n2)C1=O

CC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(C3CC3)n2)C1=O

COc1cccc2nc(-c3cccs3)nc(NN3C(=O)C=CC3=O)c12

O=C1C=CC(=O)N1Nc1ccc(C(F)(F)F)c(Cl)n1

C=CC(=O)NNc1nc(-c2cccs2)nc2cccc(OC)c12

C=CC(=O)NNc1ccc(C(F)(F)F)c(Cl)n1

CCC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(Cl)n2)C1=O

CC(C)C1=CC(=O)N(Nc2ccc(C(F)(F)F)c(Cl)n2)C1=O

O=C1C=C(C2CC2)C(=O)N1Nc1ccc(C(F)(F)F)c(Cl)n1

COC1=CC(=O)N(Nc2ccc(C(F)(F)F)c(Cl)n2)C1=O

O=C1C=C(C(F)(F)F)C(=O)N1Nc1ccc(C(F)(F)F)c(Cl)n1

CN(Nc1ccc(C(F)(F)F)c(Cl)n1)C(=O)CCl

O=C1C=CC(O)N1Nc1ccc(C(F)(F)F)c(Cl)n1

O=C1C=CCN1Nc1ccc(C(F)(F)F)c(Cl)n1

COC1C=CC(=O)N1Nc1ccc(C(F)(F)F)c(Cl)n1

CC(=O)N(c1ccc(C(F)(F)F)c(Cl)n1)N1C(=O)C(C)=C(C)C1=O

CC1=CC(=O)N(Nc2ccc3cccc(Cl)c3n2)C1=O

CC1=C(C)C(=O)N(Nc2ccc3cccc(Cl)c3n2)C1=O

CC1=C(C)C(=O)N(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O

CC1=CC(=O)N(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O

CC(=O)N(c1ccc(C(F)(F)F)c(Cl)n1)N1C(=O)C=C(C)C1=O

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

CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|

[#6]-[#8]-c1ccc2ccc(=O)oc2c1-[#6]\[#6]=[#6](\[#6])-[#6]

[#6]\[#6](-[#6])=[#6]\[#6]-c1cccc2ccc(=O)oc12

c1ccc2c(c1)C=CC(=O)O2

COc1ccc2c(c1)OC(=O)C=C2

[#6]-[#8]-c1ccc2-[#6]-[#6]-[#6](=O)-[#8]-c2c1-[#6]\[#6]=[#6](\[#6])-[#6]