355 SMILES Strings for Isoform 1 of Metabotropic glutamate receptor 5 (5a)

Compound Name
SMILES String
CN1C(=O)C(CC1(C)C)c1ccc(cn1)C#Cc1ccccc1
CN1C(=O)C(CC1(C)C)c1ccc(cn1)C#Cc1cccnc1
CN1C(=O)C(CC1(C)C)c1ccc(cn1)C#Cc1cccc(Cl)c1
CN1C(=O)C(CC1(C)C)c1ccc(cn1)C#Cc1cccc(F)c1
CN1C(=O)C(CC1(C)C)(C(=O)OCc1ccccc1)c1ncc(cn1)C#Cc1ccccc1
CN1C(=O)C(CC1(C)C)c1ncc(cn1)C#Cc1ccccc1
CN1C(=O)C(CC1(C)C)c1ncc(cn1)C#Cc1cccc(F)c1
CN1C(=O)C(CC1(C)C)c1ncc(cn1)C#Cc1ccc(F)cc1
CN1C(=O)C(CC1(C)C)c1ccc(nn1)C#Cc1cccc(F)c1
CN1C(=O)C(CC1(C)C)c1ccc(nn1)C#Cc1ccc(F)cc1
CN1C(=O)C(CC1(C)C)c1ccc(nn1)C#Cc1ccccc1
CN1C(=O)C(CCC1(C)C)c1ccc(cn1)C#Cc1ccccc1
CN1C(=O)C(CCC1(C)C)c1ccc(cn1)C#Cc1cccc(F)c1
CN1C(=O)C(CCC1(C)C)c1ccc(cn1)C#Cc1ccc(F)cc1
CN1C(=O)C(CCC1(C)C)c1ncc(cn1)C#Cc1ccccc1
CN1C(=O)C(CCC1(C)C)c1ncc(cn1)C#Cc1ccc(F)cc1
CN1C(=O)C(CCC1(C)C)c1ncc(cn1)C#Cc1cccc(F)c1
CN1C(=O)C(O)(CC1(C)C)c1ccc(cn1)C#Cc1ccccc1
COC1(CC(C)(C)N(C)C1=O)c1ccc(cn1)C#Cc1ccccc1
CN1C(=O)C(C)(CC1(C)C)c1ccc(cn1)C#Cc1ccccc1
CN1C(=O)C(CC1(C)C)c1ncc(cc1F)C#Cc1cccc(F)c1
CN1CCCCC(c2ccc(cn2)C#Cc2ccccc2)C1=O
CN1CCCCC(c2ccc(cn2)C#Cc2ccc(F)cc2)C1=O
CN1CCCCC(c2ccc(cn2)C#Cc2cccc(F)c2)C1=O
CN1CCCC[C@@H](c2ccc(cn2)C#Cc2ccccc2)C1=O |r|
CN1CCCC[C@H](c2ccc(cn2)C#Cc2ccccc2)C1=O |r|
CN1[C@H]2CCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1ccccc1 |r|
CN1[C@@H]2CCC[C@@H]2[C@H](C1=O)c1ccc(cn1)C#Cc1ccccc1 |r|
CN1[C@H]2CCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1ccc(F)cc1 |r|
CN1[C@H]2CCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r|
CN1[C@@H]2CCC[C@@H]2[C@H](C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r|
CN1[C@H]2CCC[C@H]2[C@@H](C1=O)c1ncc(cn1)C#Cc1ccccc1 |r|
CN1[C@H]2CCCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1ccccc1 |r|
CN1[C@H]2CCCC[C@H]2[C@H](C1=O)c1ccc(cn1)C#Cc1ccccc1 |r|
CN1[C@@H]2CCCC[C@@H]2[C@H](C1=O)c1ccc(cn1)C#Cc1ccccc1 |r|
CN1[C@H]2CCCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r|
CN1[C@H]2CCCC[C@H]2[C@H](C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r|
CN1[C@@H]2CCCC[C@@H]2[C@H](C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r|
CN1[C@H]2CCCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1ccc(F)cc1 |r|
CN1[C@@H]2CCCC[C@@H]2[C@H](C1=O)c1ccc(cn1)C#Cc1ccc(F)cc1 |r|
CN1C(=O)C(CC1(C)C)c1ccc(cn1)C#Cc1ccnc(Cl)c1
CN1C(=O)[C@@H](CC1(C)C)c1ccc(cn1)C#Cc1ccnc(Cl)c1 |r|
CN1C(=O)[C@H](CC1(C)C)c1ccc(cn1)C#Cc1ccnc(Cl)c1 |r|
CC1(C)COC(=O)N(C1)c1ccc(cn1)C#Cc1ccccc1
CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1ccccc1
CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1cccc(F)c1
CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1ccc(F)cc1
CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1cc(F)ccc1F
O=C1O[C@H]2CCC[C@H]2CN1c1ccc(cn1)C#Cc1ccccc1 |r|
O=C1OC[C@H]2CCC[C@H]2N1c1ccc(cn1)C#Cc1ccccc1 |r|
Fc1cccc(c1)C#Cc1ccc(nc1)N1[C@@H]2CCC[C@@H]2COC1=O |r|
Fc1ccc(cc1)C#Cc1ccc(nc1)N1[C@@H]2CCC[C@@H]2COC1=O |r|
Fc1ccc(F)c(c1)C#Cc1ccc(nc1)N1[C@@H]2CCC[C@@H]2COC1=O |r|
CC1(C)CN(CCO1)C(=O)c1ccc(cn1)C#Cc1cccc(F)c1
CC1(C)CCCN(C1)C(=O)c1ncc(cn1)C#Cc1ccccc1
CC1(C)COCCN1C(=O)c1ccc(cn1)C#Cc1cccc(F)c1
Clc1cccc(c1)C#Cc1ccc(nc1)C(=O)N1CCOCC1
CC1(C)COCCN1C(=O)c1ccc(cn1)C#Cc1cccc(Cl)c1
CC1(C)COCCN1C(=O)c1ncc(cn1)C#Cc1cccc(Cl)c1
CC1(C)CN(C(=O)O1)c1ncc(cc1F)C#Cc1ccccc1
COCC1CN(C(=O)O1)c1ccc(cn1)C#Cc1ccccc1
COC[C@H]1CN(C(=O)O1)c1ccc(cn1)C#Cc1ccccc1 |r|
COC[C@@H]1CN(C(=O)O1)c1ccc(cn1)C#Cc1ccccc1 |r|
CC1(C)CN(C(=O)O1)c1ccc(cn1)C#Cc1ccccc1
CC1(C)CN(C(=O)O1)c1ccc(cn1)C#Cc1cccc(F)c1
CC1(C)CN(C(=O)O1)c1ccc(cn1)C#Cc1cccnc1
CC(C)(C)C1CN(C(=O)O1)c1ccc(cn1)C#Cc1ccccc1
O=C1OC2(CC2)CN1c1ccc(cn1)C#Cc1ccccc1
O=C1OC2(CCC2)CN1c1ccc(cn1)C#Cc1ccccc1
O=C1OC2(CCCC2)CN1c1ccc(cn1)C#Cc1ccccc1
O=C1OC2(CN1c1ccc(cn1)C#Cc1ccccc1)CCCCC2
CC1(C)CN(C(=O)C1)c1ccc(cn1)C#Cc1ccccc1
CC1(C)CN(C(=O)C1O)c1ccc(cn1)C#Cc1ccccc1
CC1(C)CN(C(=O)N1)c1ccc(cn1)C#Cc1ccccc1
CN1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1ccccc1
CCN1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1ccccc1
CC(C)N1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1ccccc1
CC(C)(C)C1(C)CN(C(=O)O1)c1ccc(cn1)C#Cc1ccccc1
CC1(C)CN(C(=O)C1)c1ncc(cc1F)C#Cc1ccccc1
O=C1O[C@H]2CCC[C@H]2N1c1ccc(cn1)C#Cc1ccccc1 |r|
O=C1O[C@H]2CCC[C@H]2N1c1ccc(cn1)C#Cc1cccnc1 |r|
Fc1cncc(c1)C#Cc1ccc(nc1)N1[C@@H]2CCC[C@@H]2OC1=O |r|
CC1(C)CNC(=O)N(C1)c1ccc(cn1)C#Cc1ccccc1
CN1CC(C)(C)CN(C1=O)c1ccc(cn1)C#Cc1ccccc1
CC1N(C(=O)OC1(C)C)c1ccc(cn1)C#Cc1ccccc1
CC1(C)OC(=O)N(c2ccc(cn2)C#Cc2ccccc2)C1(C)C
CC1(C)CN(C(=O)O1)c1ccc(cn1)C#Cc1cncc(F)c1
CC1(C)CN(C(=O)O1)c1ccc(cn1)C#Cc1cncnc1
Cn1cc(cn1)C#Cc1ccc(nc1)N1CC(C)(C)OC1=O
CC1(C)CN(C(=O)O1)c1ccc(cn1)C#Cc1ccc(F)cc1
CC1(C)CN(C(=O)O1)c1ccc(cn1)C#Cc1ccc(F)c(F)c1
CC1(C)CN(C(=O)O1)c1ccc(cn1)C#Cc1cc(F)ccc1F
CC1(C)CN(C(=O)O1)c1ccc(cn1)C#Cc1ccc(F)nc1
O=C1OC2(CC2)CN1c1ccc(cn1)C#Cc1cccnc1
CC1(C)CN(C(=O)C1)c1ccc(cn1)C#Cc1cncc(F)c1
CC1(C)CN(C(=O)C1)c1ccc(cn1)C#Cc1cccnc1
CC1(C)CN(C(=O)C1)c1ccc(cn1)C#Cc1cncc(Cl)c1
CC1(C)CN(C(=O)C1)c1ccc(cn1)C#Cc1cccc(F)c1
Cc1cc(cnc1N1CC(C)(C)CC1=O)C#Cc1ccccc1
CC1(C)CCC(=O)N(C1)c1ccc(cn1)C#Cc1ccccc1
CC1(C)CCC(=O)N(C1)c1ccc(cn1)C#Cc1cccc(F)c1
CN1C(=O)N(CC11CCCC1)c1ccc(cn1)C#Cc1ccccc1
CN1C(CN(C1=O)c1ccc(cn1)C#Cc1ccccc1)C1CCCC1
O=C1[C@H]2CCC[C@H]2N1c1ccc(cn1)C#Cc1ccccc1 |r|
O=C1O[C@H]2CCCC[C@H]2N1c1ccc(cn1)C#Cc1ccccc1 |r|
CN1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1cccnc1
CN1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1cncc(F)c1
CN1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1cnn(C)c1
CN1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1cncc(Cl)c1
CN1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1ccnnc1
CN1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1cccc(F)c1
CN1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1cccc(Cl)c1
CN1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1cncnc1
CN1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1cccc(C)c1
CN1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1ccc(F)cc1
O=C1N2CCCCC2CN1c1ccc(cn1)C#Cc1ccccc1
O=C1CC2(CCCC2)CN1c1ccc(cn1)C#Cc1ccccc1
COC1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1ccccc1
CO[C@H]1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1ccccc1 |r|
CO[C@@H]1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1ccccc1 |r|
COC1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1cncc(Cl)c1
COC1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1cccc(C)c1
COC1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1cccc(F)c1
COC1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1ccc(F)cc1
CN1C(=O)N(CCC1(C)C)c1ccc(cn1)C#Cc1ccccc1
CN1C(=O)N(CCC1(C)C)c1ccc(cn1)C#Cc1cc(F)ccc1F
CN1C(=O)N(CCC1(C)C)c1ccc(cn1)C#Cc1ccc(F)cc1
O=C1N2CCCCC2CN1c1ccc(cn1)C#Cc1cccnc1
Fc1cccc(c1)C#Cc1ccc(nc1)N1CC2CCCCN2C1=O
CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1cccnc1
CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1cncc(F)c1
CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1cncc(Cl)c1
CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1cccc(Cl)c1
Cc1cccc(c1)C#Cc1ccc(nc1)N1CCC(C)(C)OC1=O
CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1ccc(F)c(F)c1
O=C1CC2(COC2)CN1c1ccc(cn1)C#Cc1ccccc1
CN1C(CN(C1=O)c1ccc(cn1)C#Cc1ccccc1)C1CC1
CN1C2CCCCC2N(C1=O)c1ccc(cn1)C#Cc1ccccc1
CN1C2CCCCC2N(C1=O)c1ccc(cn1)C#Cc1cccnc1
CN1C2CCCCC2N(C1=O)c1ccc(cn1)C#Cc1cncc(F)c1
CC1(C)CCN(C(=O)C1)c1ccc(cn1)C#Cc1ccccc1
CC1(C)CCN(C(=O)C1)c1ccc(cn1)C#Cc1cccc(F)c1
CC1(C)CCN(C(=O)C1)c1ccc(cn1)C#Cc1cccc(Cl)c1
CC1(C)CCN(C(=O)C1)c1ccc(cn1)C#Cc1cncc(Cl)c1
CC1(C)CCN(C(=O)C1)c1ccc(cn1)C#Cc1ccc(F)cc1
CC1(C)CCN(C(=O)C1)c1ccc(cn1)C#Cc1cc(F)ccc1F
CC1(C)CCCN(c2ccc(cn2)C#Cc2ccccc2)C(=O)O1
O=C1OC2COCCC2N1c1ccc(cn1)C#Cc1ccccc1
CC1(C)OC(=O)N(CC1O)c1ccc(cn1)C#Cc1ccccc1
CN1C(=O)N(CC11CC1)c1ccc(cn1)C#Cc1ccccc1
CC1(C)CN(C1=O)c1ccc(cn1)C#Cc1ccccc1
O=C1[C@H]2CCC[C@H]2N1c1ccc(cn1)C#Cc1cccnc1 |r|
CCN1C2CCCCC2N(C1=O)c1ccc(cn1)C#Cc1ccccc1
CCN1C2CCCCC2N(C1=O)c1ccc(cn1)C#Cc1cccnc1
CC(C)N1C2CCCCC2N(C1=O)c1ccc(cn1)C#Cc1ccccc1
O=C1O[C@H]2CCC[C@@H]2CN1c1ccc(cn1)C#Cc1ccccc1 |r|
CC1CN(C(=O)OC1(C)C)c1ccc(cn1)C#Cc1ccccc1
COCC1CCN(C(=O)O1)c1ccc(cn1)C#Cc1ccccc1
CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1ccccc1 |r|
CN1C(CN(C1=O)c1ccc(cn1)C#Cc1ccccc1)C(C)(C)C
CN1C(=O)N(CC1(C)C)c1ncc(cc1C)C#Cc1cccc(F)c1
CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r|
CN1C(=O)N(CC1(C)C)c1ncc(cc1F)C#Cc1ccc(F)cc1
CN1C(=O)N(CC1(C)C)c1ncc(cc1F)C#Cc1cccc(F)c1
CN1C(=O)N(CC11CC1)c1ccc(cn1)C#Cc1ccc(F)cc1
CN1C(=O)N(CC11CC1)c1ccc(cn1)C#Cc1cccc(F)c1
COC1CN(C(=O)OC1(C)C)c1ccc(cn1)C#Cc1ccccc1
CC1(C)CN(C(=O)C1)c1ncc(cn1)C#Cc1ccccc1
CC1(C)CCC(=O)N(C1)c1ncc(cn1)C#Cc1ccccc1
O=C1CC2(CCCC2)CN1c1ncc(cn1)C#Cc1ccccc1
CC1(C)CN(C(=O)C1)c1ncc(cn1)C#Cc1cccc(F)c1
CC1(C)CN(C(=O)C1)c1ncc(cn1)C#Cc1cccc(Cl)c1
CC1(C)CN(C(=O)C1)c1ncc(cn1)C#Cc1ccc(F)cc1
CC1(C)CN(C(=O)C1)c1ncc(cn1)C#Cc1cc(F)ccc1F
CN1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1ccccc1
CN1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1cccc(F)c1
CN1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1cc(F)ccc1F
CN1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1ccc(F)cc1
CN1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1ccc(F)c(F)c1
COC1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1ccccc1
CO[C@H]1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1ccccc1 |r|
CO[C@@H]1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1ccccc1 |r|
CO[C@H]1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1cccc(F)c1 |r|
CO[C@@H]1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1cccc(F)c1 |r|
CO[C@H]1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1cc(F)ccc1F |r|
CC1(C)CCN(C(=O)C1)c1ncc(cn1)C#Cc1ccccc1
CC1(C)CCN(C(=O)C1)c1ncc(cn1)C#Cc1cccc(F)c1
CC1(C)CCN(C(=O)C1)c1ncc(cn1)C#Cc1cc(F)ccc1F
CN1C(=O)N(CCC1(C)C)c1ncc(cn1)C#Cc1ccccc1
CN1C(=O)N(CCC1(C)C)c1ncc(cn1)C#Cc1cccc(F)c1
CN1C(=O)N(CCC1(C)C)c1ncc(cn1)C#Cc1cc(F)ccc1F
CC(C)N1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1ccccc1
CC(C)N1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1cccc(F)c1
CC(C)N1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1ccc(F)cc1
CCN1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1ccc(F)cc1
CCN1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1cccc(F)c1
CC1CN(C(=O)OC1(C)C)c1ncc(cn1)C#Cc1ccccc1
CC1CN(C(=O)OC1(C)C)c1ncc(cn1)C#Cc1cc(F)ccc1F
CN1C(=O)N(CC11CC1)c1ncc(cn1)C#Cc1ccccc1
CC1CN(C(=O)OC1(C)C)c1ncc(cn1)C#Cc1cccc(F)c1
CC1CN(C(=O)OC1(C)C)c1ncc(cn1)C#Cc1ccc(F)cc1
CC1(C)CN(C(=O)C1)c1ccc(nn1)C#Cc1ccccc1
CC1(C)CCN(C(=O)C1)c1ccc(nn1)C#Cc1ccccc1
CC1(C)CN(C(=O)O1)c1ccc(nn1)C#Cc1ccccc1
CC1(C)CCN(C(=O)O1)c1ccc(nn1)C#Cc1ccccc1
CN1C(=O)N(CC1(C)C)c1ccc(nn1)C#Cc1cccc(C)c1
CN1C(=O)N(CC1(C)C)c1ccc(nn1)C#Cc1cccc(Cl)c1
CN1C(=O)N(CC1(C)C)c1cnc(cn1)C#Cc1ccccc1
CN1C(=O)N(CC1(C)C)c1cnc(cn1)C#Cc1cccnc1
CN1C(=O)N(CC1(C)C)c1cnc(cn1)C#Cc1cccc(F)c1
CN1C(=O)N(CC1(C)C)c1cnc(cn1)C#Cc1ccc(F)cc1
CC1(C)CN(C(=O)C1)c1cnc(cn1)C#Cc1cccc(F)c1
CC1(C)CCN(C(=O)C1)c1cnc(cn1)C#Cc1cccc(F)c1
CC1(C)CCN(C(=O)C1)c1cnc(cn1)C#Cc1cccnc1
CC1(C)CCN(C(=O)C1)c1cnc(cn1)C#Cc1ccccc1
CC1(C)CCN(C(=O)N1)c1cnc(cn1)C#Cc1ccccc1
CN1C(=O)N(CCC1(C)C)c1cnc(cn1)C#Cc1ccccc1
CC1(C)CCN(C(=O)N1)c1cnc(cn1)C#Cc1cccc(F)c1
CN1C(=O)N(CCC1(C)C)c1cnc(cn1)C#Cc1cccc(F)c1
CC1(C)CCN(C(=O)O1)c1cnc(cn1)C#Cc1ccccc1
COC1CN(C(=O)OC1(C)C)c1ccc(cn1)C#Cc1cccc(F)c1
CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(nn1)C#Cc1ccccc1 |r|
CC1CN(C(=O)CO1)c1ccc(cn1)C#Cc1ccccc1
CC1(C)CN(C(=O)CO1)c1ccc(cn1)C#Cc1ccccc1
O=C1CS(=O)(=O)CCN1c1ccc(cn1)C#Cc1ccccc1
CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(nn1)C#Cc1cccc(F)c1 |r|
CN(C(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)C
CN(C(=O)c1ccc(cn1)C#Cc1cncc(Cl)c1)C(C)(C)C
CC(C)(NC(=O)c1ccc(cn1)C#Cc1ccnc(Cl)c1)C(F)(F)F
CN(C(=O)c1ccc(cn1)C#Cc1ccnc(Cl)c1)C(C)(C)C
CN(C(=O)c1ccc(cn1)C#Cc1cccc(Cl)c1)C(C)(C)C
CN(C(=O)c1ncc(cn1)C#Cc1cccc(F)c1)C(C)(C)C
CCN(C(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)C
CCN(C(=O)c1ccc(cn1)C#Cc1cccc(Cl)c1)C(C)(C)C
CCN(C(=O)c1ncc(cn1)C#Cc1cccc(F)c1)C(C)(C)C
CCN(C(=O)c1ncc(cn1)C#Cc1cccc(Cl)c1)C(C)(C)C
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCC1 |r|
CCSCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
CCCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CC1 |r|
CC(C)CCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
CCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
C[C@H](O)CCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
CC(O)CCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
CC(C)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCOCC1 |r|
CCCC(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCCCC1 |r|
OC(C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)C1CCC1 |r|
CCC(C)(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
COCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
OCCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
CCC(O)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
CCCC(C)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCOc1ccccc1 |r|
CC(C)C(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Cc1ccn(CC#Cc2cncc(c2)[C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)n1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCn1cc(Cl)cn1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CC1(F)F |r|
OC(C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)C1CCCCC1 |r|
Cc1ccnn1CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
CCC(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCn1ccnc1 |r|
CC(C)(C)OCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCCC#N |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCN1CCOCC1 |r|
COCC(O)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCOC1CCCCO1 |r|
OC1(CCCC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
CC(C)(O)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCN1CCCCC1 |r|
CC(O)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCc1ccccc1 |r|
CN(C)CCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
CC(=O)NCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
OC1(CC#Cc2cncc(c2)[C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)CCC1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCN1CCCC1=O |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCNC(=O)C(F)(F)F |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCN1N=CC2C=CC=CC12 |r,c:26,29,31|
CC(C)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
CCCCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCOCC(F)(F)F |r|
CCOCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
CC1CN(CC#Cc2cncc(c2)[C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)N=C1 |r,c:29|
CCOCCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
CCCCC(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
OC(C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)C1CC1 |r|
COCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
CC(C)(C)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCn1cccn1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCCO1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCOC1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCCOCC(F)(F)F |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1COC1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCO1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCN1CC(F)(F)C1 |r|
Cc1cn(CC#Cc2cncc(c2)[C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)cn1 |r|
OC(CC1CC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
OC(CC1CCC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
CC1CC1C(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
OC(C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)C1CC1(F)F |r|
CC1(C)CC1C(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
CN(C)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
COc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cccc(c1)C#CC1CC1 |r|
Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCCC1 |r|
Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC12CCC(CC1)CC2 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCCC1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC12CCC(CC1)CC2 |r|
OC1(CCCCC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCC1 |r|
CC1(CCCCC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCC1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC12CC1CCCC2 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1(F)CCCCC1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCC(F)(F)CC1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCOCC1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCOC1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCO1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1COC1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
F[C@H]1C[C@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,3.5,1.0,wD:18.21,(-7.08,-3.45,;-5.75,-4.22,;-4.26,-3.82,;-3.86,-5.31,;-5.35,-5.71,;-2.53,-6.08,;-1.2,-6.85,;.14,-7.62,;.14,-9.16,;1.47,-9.93,;2.8,-9.16,;2.8,-7.62,;1.47,-6.85,;4.14,-6.85,;4.14,-5.31,;5.6,-4.83,;6.37,-3.5,;6.51,-6.08,;5.6,-7.33,;6,-8.81,;7.49,-9.21,;7.89,-10.7,;6.8,-11.79,;5.31,-11.39,;4.22,-12.48,;4.91,-9.9,)|
F[C@H]1C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,1.0,wD:18.21,3.5,(-7.08,-3.45,;-5.75,-4.22,;-4.26,-3.82,;-3.86,-5.31,;-5.35,-5.71,;-2.53,-6.08,;-1.2,-6.85,;.14,-7.62,;.14,-9.16,;1.47,-9.93,;2.8,-9.16,;2.8,-7.62,;1.47,-6.85,;4.14,-6.85,;4.14,-5.31,;5.6,-4.83,;6.37,-3.5,;6.51,-6.08,;5.6,-7.33,;6,-8.81,;7.49,-9.21,;7.89,-10.7,;6.8,-11.79,;5.31,-11.39,;4.22,-12.48,;4.91,-9.9,)|
Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCOCC1 |r|
COC1(CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)OC |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(=O)C1 |r|
O[C@H]1C[C@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,3.5,1.0,wD:18.21,(-7.49,4.51,;-6.15,3.74,;-4.66,4.14,;-4.27,2.65,;-5.75,2.26,;-2.93,1.88,;-1.6,1.11,;-.26,.34,;-.26,-1.2,;1.07,-1.97,;2.4,-1.2,;2.4,.34,;1.07,1.11,;3.74,1.11,;3.74,2.65,;5.2,3.13,;5.97,4.46,;6.11,1.88,;5.2,.64,;5.6,-.85,;7.09,-1.25,;7.49,-2.73,;6.4,-3.82,;4.91,-3.42,;3.82,-4.51,;4.51,-1.94,)|
O[C@H]1C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,3.5,wD:18.21,1.0,(-7.49,4.51,;-6.15,3.74,;-5.75,2.26,;-4.27,2.65,;-4.66,4.14,;-2.93,1.88,;-1.6,1.11,;-.26,.34,;-.26,-1.2,;1.07,-1.97,;2.4,-1.2,;2.4,.34,;1.07,1.11,;3.74,1.11,;3.74,2.65,;5.2,3.13,;5.97,4.46,;6.11,1.88,;5.2,.64,;5.6,-.85,;7.09,-1.25,;7.49,-2.73,;6.4,-3.82,;4.91,-3.42,;3.82,-4.51,;4.51,-1.94,)|
C[C@@]1(O)C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:14.15,4.6,1.1,wD:19.22,1.0,(-7.16,-3.91,;-5.68,-3.51,;-6.08,-2.02,;-5.28,-5,;-3.79,-4.6,;-4.19,-3.11,;-2.46,-5.37,;-1.12,-6.14,;.21,-6.91,;.21,-8.45,;1.54,-9.22,;2.88,-8.45,;2.88,-6.91,;1.54,-6.14,;4.21,-6.14,;4.21,-4.6,;5.68,-4.12,;6.45,-2.79,;6.58,-5.37,;5.68,-6.61,;6.07,-8.1,;7.56,-8.5,;7.96,-9.99,;6.87,-11.08,;5.38,-10.68,;4.3,-11.77,;4.99,-9.19,)|
C[C@]1(O)C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:14.15,4.6,1.0,wD:19.22,1.1,(-7.16,-3.91,;-5.68,-3.51,;-6.08,-2.02,;-5.28,-5,;-3.79,-4.6,;-4.19,-3.11,;-2.46,-5.37,;-1.12,-6.14,;.21,-6.91,;.21,-8.45,;1.54,-9.22,;2.88,-8.45,;2.88,-6.91,;1.54,-6.14,;4.21,-6.14,;4.21,-4.6,;5.68,-4.12,;6.45,-2.79,;6.58,-5.37,;5.68,-6.61,;6.07,-8.1,;7.56,-8.5,;7.96,-9.99,;6.87,-11.08,;5.38,-10.68,;4.3,-11.77,;4.99,-9.19,)|
FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(c1)[N+]#[C-] |r|
FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(Cl)c1 |r|
Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
COc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cc(cnc1F)C#CC1CC(F)(F)C1 |r|
FC1(F)CC(C1)C#Cc1ccnc(c1)[C@H]1NC(=O)O[C@@H]1c1ccccc1 |r|
FC1(F)CC(C1)C#Cc1cccc(n1)[C@H]1NC(=O)O[C@@H]1c1ccccc1 |r|
FC1(F)CC(C1)C#Cc1cc(ccn1)[C@H]1NC(=O)O[C@@H]1c1ccccc1 |r|
Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
COc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cccc(c1)C#CC1CC(F)(F)C1 |r|
Fc1cc(F)cc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
Fc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#CC2CC(F)(F)C2)c(F)c1F |r|
Fc1ccc(cc1F)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
Fc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#CC2CC(F)(F)C2)c(F)c1 |r|
FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1ccc(Cl)cc1 |r|
Fc1cc(F)c(cc1F)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
Fc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#CC2CC(F)(F)C2)c(Cl)c1 |r|
FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(Cl)c1Cl |r|
Clc1cccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#CC2CC2)c1Cl |r|
CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(F)c1 |c:7|
CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1ccccc1 |c:7|
CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(Cl)c1 |c:7|
CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1cccc(Cl)c1 |c:7|
CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1ccccc1 |c:7|
CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1cccc(F)c1 |c:7|