1116 SMILES Strings for Kinesin-like protein KIF11

Compound Name
SMILES String
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
N[C@@H](CSC(c1ccccc1)c1ccccc1)C(O)=O |r|
CC(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
CCC(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
CCCCC(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
CC(C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
N[C@@H](CSC(C1CCCCC1)(c1ccccc1)c1ccccc1)C(O)=O |r|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1cccc2ccccc12)C(O)=O |r|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(O)=O |r|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2OCOc2c1)C(O)=O |r|
ClC(c1ccccc1)(c1ccccc1)c1ccccc1
BrC(c1ccccc1)(c1ccccc1)c1ccccc1
OC(c1ccccc1)(c1ccccc1)c1ccccc1
COC(c1ccccc1)(c1ccccc1)c1ccccc1
NC(c1ccccc1)(c1ccccc1)c1ccccc1
CC(c1ccccc1)(c1ccccc1)c1ccccc1
CCC(c1ccccc1)(c1ccccc1)c1ccccc1
CC(C)(O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
Nc1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
SC(c1ccccc1)(c1ccccc1)c1ccccc1
CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
C(SC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
CC(=O)SC(c1ccccc1)(c1ccccc1)c1ccccc1
ClCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
CC(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
OCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
Cc1ccccc1SC(c1ccccc1)(c1ccccc1)c1ccccc1
CC(C)(SC(c1ccccc1)(c1ccccc1)c1ccccc1)C(N)C(O)=O
COC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
COC(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
NCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
NCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
N[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
OC(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
OC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)\N=C\c1cccs1
CC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
OC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
OC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1
CC(C)(C)OC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
COC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC(c1ccccc1)c1ccccc1 |r|
COC(=O)[C@@H](NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C |r|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(O)=O |r|
CC(NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(F)cc1)C(O)=O |r|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(O)=O |r|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Br)cc1)C(O)=O |r|
Cc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
COc1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(CO)cc1)C(O)=O |r|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(O)cc1)C(O)=O |r|
N[C@@H](CSC(c1ccccc1)(c1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1)C(O)=O |r|
COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccc(OC)cc1 |r|
Cc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccc(C)cc1 |r|
N[C@@H](CSC(c1ccccc1)(c1ccc(CO)cc1)c1ccc(CO)cc1)C(O)=O |r|
Cc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccc(C)cc1)c1ccc(C)cc1 |r|
N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1ccccc1)C(O)=O |r|
Cc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2-c2ccccc12 |r|
N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1ccc(F)cc1)C(O)=O |r|
N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1ccc(Cl)cc1)C(O)=O |r|
CC(=O)N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1ccccc1)C(O)=O |r|
N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1cccc2ccccc12)C(O)=O |r|
Cc1ccc2C(CNCc2c1C)c1ccccc1
CN1CC(c2ccccc2)c2ccc(C)c(C)c2C1
CCN1CC(c2ccccc2)c2ccc(C)c(C)c2C1
CC(C)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
Cc1ccc2C(CN(CCc3ccccc3)Cc2c1C)c1ccccc1
Cc1ccc2C(CN(CCN)Cc2c1C)c1ccccc1
Cc1ccc2C(CN(CCCN)Cc2c1C)c1ccccc1
Cc1ccc2C(CN(CCCCN)Cc2c1C)c1ccccc1
Cc1ccc2C(CN(CCn3cccc3)Cc2c1C)c1ccccc1
CN(C)CCCN1CC(c2ccccc2)c2ccc(C)c(C)c2C1
CN(C)CCCCN1CC(c2ccccc2)c2ccc(C)c(C)c2C1
CC(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
Cc1ccc2C(CN(Cc2c1C)C(=O)c1ccccc1)c1ccccc1
Cc1ccc2C(CN(Cc2c1C)S(C)(=O)=O)c1ccccc1
COC(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
CCOC(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
Cc1ccc2C(CN(Cc2c1C)C(N)=O)c1ccccc1
CNC(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
CN(C)C(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
Cc1ccc2C(CN(Cc2c1C)C(=O)N1CCOCC1)c1ccccc1
Cc1ccc2C(CN(Cc2c1C)C(=O)N1CCCCC1)c1ccccc1
CN(C)CCCN(C)C(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
CN(C)C(=O)N1C[C@H](c2cccc(O)c2)c2ccc(C)c(C)c2C1 |r|
Cc1ccc2c(c1C)CN(C[C@@H]2c3cccc(c3)O)C(=O)N(C)C
CN(C)C(=O)N1CC(c2ccc(O)cc2)c2ccc(C)c(C)c2C1
CN(C)C(=O)N1CC(c2cccc(c2)C(F)(F)F)c2ccc(C)c(C)c2C1
CN(C)C(=O)N1CC(c2cccc(Cl)c2)c2ccc(C)c(C)c2C1
CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccccc2C1
CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(F)cc2C1
CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(Cl)cc2C1
CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(Br)cc2C1
CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(I)cc2C1
CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(C)cc2C1
COc1ccc2C(CN(Cc2c1)C(=O)N(C)C)c1cccc(O)c1
CN(C)C(=O)N1CC(c2cccc(O)c2)c2cccc(F)c2C1
CN(C)C(=O)N1CC(c2cccc(O)c2)c2cccc(Cl)c2C1
CN(C)C(=O)N1CC(c2cccc(O)c2)c2cccc(Br)c2C1
CN(C)C(=O)N1CC(c2cccc(O)c2)c2cccc(C)c2C1
CCc1cccc2C(CN(Cc12)C(=O)N(C)C)c1cccc(O)c1
COc1cccc2C(CN(Cc12)C(=O)N(C)C)c1cccc(O)c1
COc1ccc2C(CN(Cc2c1OC)C(=O)N(C)C)c1cccc(O)c1
CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(Cl)c(Cl)c2C1
CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc3ccccc3c2C1
CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc3CCOc3c2C1
CCN(CC)C(=O)c1ccsc1NC(=O)c1cccs1
CCN(CC)C(=O)c1c(C)c(C)sc1NC(=O)c1cccs1
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCc12
CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCCC2
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCCc12
CCN(CC)C(=O)c1c(NC(=O)c2ccsc2)sc2CCCCc12
CCN(CC)C(=O)c1c(NC(=O)c2cncs2)sc2CCCCc12
CCN(CC)C(=O)c1c(NC(=O)c2scnc2C)sc2CCCCc12
CCN(CC)C(=O)c1c(NC(=O)c2ccco2)sc2CCCCc12
CCN(CC)C(=O)c1c(NC(=O)c2ccccc2)sc2CCCCc12
CCN(CC)C(=O)c1c(NC(=O)Cc2cccs2)sc2CCCCc12
CCOC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
OC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
NC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
CN(C)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
O=C(Nc1sc2CCCCc2c1C(=O)N1CCCC1)c1cccs1
O=C(Nc1sc2CCCCc2c1C(=O)N1CCCCC1)c1cccs1
O=C(Nc1sc2CCCCc2c1C(=O)N1CCOCC1)c1cccs1
CN(C)CCNC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
CN(C)CCN(C)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCC(C)c12
CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CC[C@H](C2)C
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)CCc12
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)c12
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)Cc12
CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCC(C2)(C)C
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)(C)CCc12
CCC1CCc2sc(NC(=O)c3cccs3)c(C(=O)N(CC)CC)c2C1
CCC1CCc2c(C1)sc(NC(=O)c1cccs1)c2C(=O)N(CC)CC
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2COCCc12
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CSCCc12
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CNCCc12
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2ccccc12
CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
[H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |t:39|
CCOC(=O)C1[C@@H](NC(=S)N=C1C)c1cccc(O)c1 |r,c:10|
Oc1cccc(c1)C1NC(=S)Nc2ccc(Cl)cc12
Oc1cccc(c1)C1NC(=S)Nc2cccc(F)c12
Oc1cccc(c1)C1NC(=S)Nc2ccccc12
Oc1cccc(c1)C1NC(=S)Nc2cc(F)ccc12
Oc1cccc(c1)C1NC(=S)Nc2cc(F)c(F)cc12
Cc1ccc2NC(=S)NC(c3cccc(O)c3)c2c1
Oc1cccc(c1)C1NC(=S)Nc2ccc(Br)cc12
Oc1cccc(c1)C1NC(=S)Nc2ccc(F)cc12
Cc1ccc2C(NC(=S)Nc2c1)c1cccc(O)c1
COC(C)(C)[C@@H](N(CC[C@H](N)CF)C(=O)[C@@H]1CCCO1)c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F |r|
COC(C)(C)[C@@H](N(CC[C@H](N)CF)C(=O)[C@H](C)O)c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F |r|
CCN1C[C@H](F)[C@H](CN([C@@H](c2nc(nn2Cc2cccc(F)c2)-c2cc(F)ccc2F)C(C)(C)OC)C(=O)[C@@H]2CCCO2)C1 |r|
COC(C)(C)[C@@H](N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@@H]1CCCO1)c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F |r|
COC(C)(C)[C@@H](N(CC[C@H](N)CF)C(=O)[C@@H]1CCCO1)c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F |r|
COC(C)(C)[C@@H](N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@H](C)O)c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F |r|
COC(C)(C)[C@@H](N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@@H]1CCCO1)c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F |r|
COC(C)(C)[C@@H](N(CC[C@H](N)CF)C(=O)[C@H](C)O)c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CSc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1
CS(=O)(=O)c1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1
OC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(OCc4ccccc4)cc3)nc2c1
COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2OC)C(O)=O)cc1
NC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2OC(F)(F)F)C(O)=O)cc1
CC(C)(C)[C@@H](N(C[C@@H]1CNC[C@@H]1F)C(=O)C1CCCO1)c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F |r|
C[C@H]1CN(C[C@@H](C)O1)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C |r|
C[C@H]1CN(C[C@@H](C)O1)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F)C(C)(C)C |r|
C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C |r|
CC(C)(C)[C@@H](N(C[C@@H]1CNC[C@@H]1F)C(=O)C1CCCO1)c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F |r|
C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F)C(C)(C)C |r|
C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(sc1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C |r|
CC(C)(C)[C@@H](N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@@H]1CCCO1)c1nc(sc1Cc1ccccc1)-c1cc(F)ccc1F |r|
C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@@H](c1nc(sc1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C |r|
C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(oc1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C |r|
C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@@H](c1nc(oc1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C |r|
C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@H](c1nc(oc1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C |r|
C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@H](c1nc(oc1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C |r|
C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@H](c1nc(sc1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C |r|
CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCNC(=O)CN1C(=O)CC(SC[C@H](N)C(O)=O)C1=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCNC(=O)CNC(=O)CC(SC[C@H](N)C(O)=O)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)N[C@H](CNC(=O)CNC(=O)CC(SC[C@H](N)C(O)=O)C(O)=O)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCOCCN1C(=O)CC(SC[C@H](N)C(O)=O)C1=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCOCCNC(=O)CC(SC[C@H](N)C(O)=O)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CCCN)C(=O)CSCCC(=O)NCCNC(=O)CNC(=O)CC(SCC[C@H](N)C(O)=O)C(O)=O)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCNC(=O)CSC[C@H](N)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CCCN)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CCCN)C(=O)CSC[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCNC(=O)CC(SC[C@H](N)C(O)=O)C(O)=O)C(O)=O)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CCCN)C(=O)CSC[C@H](N)C(O)=O)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CCCN)C(=O)CSC[C@H](NC(=O)CCC(O)=O)C(O)=O)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](c2cc(c1cc(F)ccc1F)cn2Cc3ccccc3)N(CC[C@H](N)C(=O)NCCNC(=O)CNC(=O)CC(SC[C@H](N)C(=O)O)C(=O)O)C(=O)CO
CC(C)(C)[C@@H](c2cc(c1cc(F)ccc1F)cn2Cc3ccccc3)N(CC[C@H](N)C(=O)NCCNC(=O)CNC(=O)CC(SC[C@@H](N)C(=O)O)C(=O)O)C(=O)CO
CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCNC(=O)CNC(=O)C(CC(O)=O)SC[C@H](N)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@H](c2cc(c1cc(F)ccc1F)cn2Cc3ccccc3)N(CC[C@H](N)C(=O)NCCNC(=O)CNC(=O)C(CC(=O)O)SC[C@@H](N)C(=O)O)C(=O)CO
CC(C)(C)[C@@H](N(CC[C@H](N)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCNC(=O)CC[C@H](N)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCC(=O)NCCCC[C@H](N)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CCCN)C(=O)CSC[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CNC(=O)CC(SC[C@H](N)C(O)=O)C(O)=O)C(O)=O)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CCCN)C(=O)CSC[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CNC(=O)C(CC(O)=O)SC[C@H](N)C(O)=O)C(O)=O)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@H](c2cc(c1cc(F)ccc1F)cn2Cc3ccccc3)N(CCCN)C(=O)CSC[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CNC(=O)CC(SC[C@@H](N)C(=O)O)C(=O)O)C(=O)O
CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)N[C@H](CCC(O)=O)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCNC(=O)CNC(=O)C[C@H](SC[C@H](N)C(O)=O)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](c2cc(c1cc(F)ccc1F)cn2Cc3ccccc3)N(CC[C@H](N)C(=O)NCCNC(=O)CNC(=O)C(CC(=O)O)SC[C@H](N)C(=O)O)C(=O)CO
CC(=O)NC(CCCCNC(=O)CCC(N)C(O)=O)C(=O)NCCNC(=O)C(N)CCN([C@@H](c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C)C(=O)CO |r|
CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCNC(=O)[C@@H](CCC(O)=O)NC(=O)CNC(=O)C[C@@H](SC[C@H](N)C(O)=O)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCNC(=O)[C@@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)SC[C@H](N)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r|
CN(OCCOCCOCCOCCOCCOC/C=C/C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1
CN(C/C=C/C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1)CCOCCOCCOCCOCCON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1
CN(C/C=C/C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1)CCOCCOCCOCCOCCOCCOCCON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1
CN(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC/C=C/C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1
CN(C/C=C/C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1)CCOCCOCCOCCOCCOCCOCCOCCOCCON(C)C(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN)c1ccccc1
Clc1ccc(cc1)-c1[nH]ncc1C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1
O=C(Nc1cccc(c1)S(=O)(=O)C1CCCC1)c1cccnc1N1CCCCC1
CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(NS(C)(=O)=O)nc2N2CCC3(CC3)CC2)n1
CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1cccc(F)c1 |r|
CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccccc1 |r|
C1CO[C@H]2[C@@H](C1)[C@@H](Nc1ccccc21)c1ccccc1 |r|
CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1cccc(Cl)c1 |r|
FC(F)(F)c1ccc2c(c1)[nH]c1ccccc21
FC(F)(F)c1ccc2c(c1)[nH]c1cnccc21
FC(F)(F)c1ccc2c(c1)[nH]c1ccncc21
FC(F)(F)c1cccc(Nc2cccnc2)c1
FC(F)(F)c1cccc(Nc2ccncc2)c1
Nc1ccc2c(c1)[nH]c1cc(ccc21)C(F)(F)F
CC(=O)Nc1ccc2c(c1)[nH]c1cc(ccc21)C(F)(F)F
[O-][N+](=O)c1ccc2[nH]c3cc(ccc3c2c1)C(F)(F)F
Nc1ccc2[nH]c3cc(ccc3c2c1)C(F)(F)F
NC(=O)Nc1ccc2[nH]c3cc(ccc3c2c1)C(F)(F)F
[O-][N+](=O)c1cccc(Nc2cccc(c2)C(F)(F)F)c1
Nc1cccc(Nc2cccc(c2)C(F)(F)F)c1
NC(=O)Nc1cccc(Nc2cccc(c2)C(F)(F)F)c1
[O-][N+](=O)c1ccc(Nc2cccc(c2)C(F)(F)F)cc1
Nc1ccc(Nc2cccc(c2)C(F)(F)F)cc1
NC(=O)Nc1ccc(Nc2cccc(c2)C(F)(F)F)cc1
FC(F)(F)c1cccc(Nc2ccc3NC(=O)CCc3c2)c1
FC(F)(F)c1cccc(Oc2ccc3NC(=O)CCc3c2)c1
FC(F)(F)c1cccc(Sc2ccc3NC(=O)CCc3c2)c1
FC(F)(F)c1ccc(Nc2ccc3NC(=O)CCc3c2)cc1
FC(F)(F)c1ccc(Oc2ccc3NC(=O)CCc3c2)cc1
FC(F)(F)c1ccc(Sc2ccc3NC(=O)CCc3c2)cc1
FC(F)(F)c1ccccc1Nc1ccc2NC(=O)CCc2c1
O=C1CCc2cc(Nc3ccccc3)ccc2N1
CCc1cccc(Nc2ccc3NC(=O)CCc3c2)c1
CC(C)c1cccc(Nc2ccc3NC(=O)CCc3c2)c1
CC(C)(C)c1cccc(Nc2ccc3NC(=O)CCc3c2)c1
FC(F)(F)c1cc(Nc2ccc3NC(=O)CCc3c2)cc(c1)C(F)(F)F
O=C1CCc2cc(Nc3cccc(c3)-c3ccccc3)ccc2N1
O=C1CCc2cc(Nc3cccc(Oc4ccccc4)c3)ccc2N1
COc1cccc(Nc2ccc3NC(=O)CCc3c2)c1
FC(F)(F)Oc1cccc(Nc2ccc3NC(=O)CCc3c2)c1
Oc1cccc(Nc2ccc3NC(=O)CCc3c2)c1
[O-][N+](=O)c1cccc(Nc2ccc3NC(=O)CCc3c2)c1
Nc1cccc(Nc2ccc3NC(=O)CCc3c2)c1
COC(=O)c1cccc(Nc2ccc3NC(=O)CCc3c2)c1
OC(=O)c1cccc(Nc2ccc3NC(=O)CCc3c2)c1
FC(F)(F)c1ccnc(Nc2ccc3NC(=O)CCc3c2)c1
FC(F)(F)c1cccc(Nc2ccc3CCC(=O)Nc3c2)c1
FC(F)(F)c1cccc(Nc2ccc3OCC(=O)Nc3c2)c1
FC(F)(F)c1cccc(Nc2ccc3ccc(=O)[nH]c3c2)c1
FC(F)(F)c1cccc(Nc2cccc3NC(=O)CCc23)c1
FC(F)(F)c1cccc(Nc2ccc3NC(=O)Cc3c2)c1
FC(F)(F)c1cccc(Nc2ccc3[nH]c(=O)oc3c2)c1
FC(F)(F)c1cccc(Nc2ccc3[nH]c(=O)sc3c2)c1
FC(F)(F)c1cccc(Nc2ccc3NC(=O)COc3c2)c1
FC(F)(F)c1cccc(Nc2ccc3NC(=O)CSc3c2)c1
CN1C(=O)CCc2cc(Nc3cccc(c3)C(F)(F)F)ccc12
FC(F)(F)c1cccc(Nc2ccc3NC(=S)CCc3c2)c1
FC(F)(F)c1cccc(Nc2ccc3NC(=O)CCCc3c2)c1
Fc1cc(Nc2cccc(c2)C(F)(F)F)cc2CCC(=O)Nc12
Fc1cc2NC(=O)CCc2cc1Nc1cccc(c1)C(F)(F)F
FC(F)(F)c1ccnc(Nc2ccc3NC(=O)CSc3c2)c1
FC(F)(F)c1ccnc(Nc2ccc3NC(=O)CCCc3c2)c1
CCCCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(O)c3)n2c1=O
CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1ccccc1 |t:4|
CC(C)CC(=O)NC1=NN(C(=O)CC(C)C)C(C)(S1)c1ccccc1 |t:7|
CC(C)(C)C(=O)NC1=NN(C(=O)C(C)(C)C)C(CNS(C)(=O)=O)(S1)c1ccccc1 |t:7|
CC(C)(C)C(=O)NC1=NN(C(=O)C(C)(C)C)C(CCNS(C)(=O)=O)(S1)c1ccccc1 |t:7|
CCC(=O)N1N=C(NC(=O)C(C)(C)C)SC1(CCNS(C)(=O)=O)c1ccccc1 |t:5|
CC(C)C(=O)N1N=C(NC(=O)C(C)(C)C)SC1(CCNS(C)(=O)=O)c1ccccc1 |t:6|
COc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2C=Cc2ccccc12 |r,c:24|
N[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2C=Cc2ccccc12)C(O)=O |r,c:23|
Cc1ccccc1C1(SC[C@H](N)C(O)=O)c2ccccc2CCc2ccccc12 |r|
N[C@@H](CSC1(c2cccc(Cl)c2)c2ccccc2CCc2ccccc12)C(O)=O |r|
N[C@@H](CSC1(c2cccc(c2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(O)=O |r|
CC(C)(C)c1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2CCc2ccccc12 |r|
N[C@@H](CSC1(c2ccc(Oc3ccccc3)cc2)c2ccccc2CCc2ccccc12)C(O)=O |r|
N[C@@H](CSC1(c2ccc(cc2)-c2ccccc2)c2ccccc2CCc2ccccc12)C(O)=O |r|
N[C@@H](CSC1(c2ccc(Cl)cc2)c2ccccc2CCc2ccccc12)C(O)=O |r|
Cc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2CCc2ccccc12 |r|
COc1ccc(cc1)C2(c3ccccc3CCc4c2cccc4)SC[C@@H](C(=O)O)N
N[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(O)=O |r|
N[C@@H](CSC1(c2ccccc2)c2ccccc2CCc2ccccc12)C(O)=O |r|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(cc1)C(F)(F)F)C(O)=O
Cc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2C=Cc2ccccc12 |r,c:23|
N[C@@H](CSC1(c2ccc(Cl)cc2)c2ccccc2C=Cc2ccccc12)C(O)=O |r,c:20|
N[C@@H](CSC1(c2ccc(cc2)-c2ccccc2)c2ccccc2C=Cc2ccccc12)C(O)=O |r,c:26|
N[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2Oc2ccccc12)C(O)=O |r|
N[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2COc2ccccc12)C(O)=O |r|
N[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2Sc2ccccc12)C(O)=O |r|
N[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CSc2ccccc12)C(O)=O |r|
N[C@@H](CSC1(c2ccccc2)c2ccccc2CCSc2ccccc12)C(O)=O |r|
Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=Nc3cc(ccc3C(=O)N2Cc4ccccc4)Cl)C(C)C
CN(C(=O)N1[C@](SC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3)OC
CC(=O)N1N=C(CC1c1ccccc1)c1ccc(Cl)cc1Cl |c:4|
CC(C)C(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:6|
CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1C(F)(F)F |c:4|
CC(=S)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:4|
CN1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:2|
CCC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:5|
CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |r,c:4|
COc1ccccc1C1=NN(C(C1)c1ccccc1)C(C)=O |t:9|
CC(=O)N1N=C(CC1c1cccs1)c1cc(F)ccc1F |c:4|
CNC(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:5|
CC(=O)N1N=C(CC1c1cccc(O)c1)c1cc(F)ccc1F |c:4|
CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1C |c:4|
CC(=O)N1[C@@H](CC(=N1)c2ccccc2Cl)c3cccc(c3)O
CC(=O)N1N=C(CC1c1ccccc1)c1cccc(Cl)c1 |c:4|
CC(=O)N1N=C(CC1c1ccccc1)c1c(F)cccc1F |c:4|
CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1F |c:4|
COC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:5|
CS(=O)(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:5|
CC(=O)N1N=C(CC1c1ccccc1)c1cccc(F)c1F |c:4|
CC(=O)N1N=C(CC1c1ccccc1)c1ccc(Cl)cc1 |c:4|
CC(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:4|
CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1Cl |c:4|
CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:4|
CC(=O)N1N=C(CC1c1ccccc1)c1cc(F)cc(F)c1 |c:4|
CN(C)C(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:6|
NCCCC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:7|
Oc1cccc(c1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1Cl |c:10|
CC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1 |c:4|
CC(C)(C)C(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:7|
CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1Br |c:4|
CCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:5|
CC(=O)N1N=C(SC11CCN(C(C)=O)c2ccccc12)c1cc(F)ccc1F |c:4|
CN1CCC2(SC(=NN2C(C)=O)c2cc(F)ccc2F)c2ccccc12 |c:6|
CC(=O)N1N=C(SC11CCNc2ccccc12)c1cc(F)ccc1F |c:4|
CC(=O)N1N=C(SC11CCSc2ccccc12)c1cc(F)ccc1F |c:4|
CC(=O)N1N=C(SC11CCCOc2ccccc12)c1cc(F)ccc1F |c:4|
CC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:4|
CC(=O)N1N=C(SC11COc2ccccc12)c1cc(F)ccc1F |c:4|
CC(C)C(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:6|
CC(C)(C)C(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:7|
OCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:5|
COCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:6|
NCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:5|
NCCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:6|
NCCCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:7|
CNCCCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:8|
CN(C)CCCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:9|
CC(=O)N1N=C(SC11C(CCN)COc2ccccc12)c1cc(F)ccc1F |c:4|
CC(=O)N1N=C(S[C@@]11[C@H](CCN)COc2ccccc12)c1cc(F)ccc1F |r,c:4|
CC(=O)N1N=C(S[C@@]11[C@@H](CCN)COc2ccccc12)c1cc(F)ccc1F |r,c:4|
CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2ccccc12)c1cc(F)ccc1F |r,c:4|
CC(=O)N1N=C(S[C@]11[C@@H](CCN)COc2ccccc12)c1cc(F)ccc1F |r,c:4|
CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2ccc(F)cc12)c1cc(F)ccc1F |r,c:4|
CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2ccc(Cl)cc12)c1cc(F)ccc1F |r,c:4|
CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2c(F)cccc12)c1cc(F)ccc1F |r,c:4|
CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2c(F)cc(F)cc12)c1cc(F)ccc1F |r,c:4|
CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2cc(F)c(F)cc12)c1cc(F)ccc1F |r,c:4|
CN(C1CCNCC1)C(=O)N1CC(=CC1c1cccc(O)c1)c1cc(F)ccc1F |c:13|
CN(C)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:7|
N[C@@H](C1CC1)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:10|
CC(C)(C)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:8|
CN(CCO)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:9|
CC(C)(C)[C@H](O)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:10|
CC(C)[C@H](N)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:9|
O[C@@H](C1CC1)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:10|
C[C@]12CC[C@H]3[C@@](C)(CC[C@@H]4[C@]3(C)CC[C@@H]3O[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]43C)[C@@H]1Cc1c2c(OS([O-])(=O)=O)ccc1OS([O-])(=O)=O
CN1C(=S)N[C@@H](C(C(=O)c2ccccc2)=C1C)c1cccc(O)c1 |r,c:15|
CN1C(=S)N[C@H](C(C(=O)c2ccccc2)=C1C)c1cccc(O)c1 |r,c:15|
CCNCCC[C@]1(C=C(CN1C(=O)N(C)C)c1cc(F)ccc1F)c1ccccc1 |c:7|
CN(C)C(=O)N1CC(=C[C@@]1(CCCNCC(F)F)c1ccccc1)c1cc(F)ccc1F |c:7|
CN(C)C(=O)N1CC(=C[C@@]1(CC[C@H](N)C(F)F)c1ccccc1)c1cc(F)ccc1F |c:7|
CN(C)C(=O)N1CC(=C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |c:7|
CN(C)C(=O)N1CC(=C[C@@]1(CCCNCC(F)(F)F)c1ccccc1)c1cc(F)ccc1F |c:7|
CN(C)C(=O)N1N=C(C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |r,c:6|
CN(C)C(=O)N1CC(=C[C@@]1(CCCNCCF)c1ccccc1)c1cc(F)ccc1F |c:7|
COC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1
COc1ccc(CSC[C@H](N)C(O)=O)cc1
CC(C)(C)SC[C@H](N)C(O)=O
N[C@@H](CSCC1c2ccccc2-c2ccccc12)C(O)=O |r|
N[C@@H](CSCc1ccccc1)C(O)=O
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(N)=O
COc1ccc(cc1OC)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1
COC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)NC(C)=O
OC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12
CSC[C@@H](C(=O)O)N
NCCSC[C@H](N)C(O)=O
C([C@@H](C(=O)O)N)SCC(=O)O
C([C@@H](C(=O)O)N)S
CCOC(=O)C1C(NC(=[Se])N=C1C)c1cccc(O)c1 |w:6.13,c:10|
CCOC(=O)C1=C(C)NC(=S)N(C1c1cccc(OC(C)=O)c1)C(C)=O |w:12.13,c:5|
CC1=NC(=S)NC(C1C(=O)OCCOCCS)c1cccc(O)c1 |w:6.17,t:1|
CC(=O)SCCOCCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:13.20,c:17|
CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10|
Oc1cccc(c1)C1NC(=S)N=C2CCCC(=O)C12 |w:7.7,t:12|
CCOC(=O)C1=C(C)NC(=S)N(C1c1cccc(O)c1)C(C)=O |w:12.13,c:5|
CC1=NC(=S)NC(C1C(=O)OCCOCCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1)c1cccc(O)c1 |w:6.36,c:25,t:1|
CC1=NC(=S)NC(C1C(=O)NCCOCCOCCN=[N+]=[N-])c1cccc(O)c1 |w:6.22,t:1|
CC1=NC(=S)NC(C1C(=O)c1ccco1)c1cccc(O)c1 |w:6.16,t:1|
CC1=NC(=S)NC(C1C(=O)OCCOCCOCCOCCO)c1cccc(O)c1 |w:6.23,t:1|
CC1=NC(=S)NC(C1C(=O)NCCOCCOCCN)c1cccc(O)c1 |w:6.20,t:1|
CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(OC(C)=O)c1 |c:10|
CC1=NC(=S)NC(C1C(=O)OCCOCCO)c1cccc(O)c1 |w:6.17,t:1|
CCNC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10|
CC1=NC(=S)NC(C1C(O)=O)c1cccc(O)c1 |w:6.11,t:1|
CC1(C)CC(=O)C2C(NC(=S)N=C2C1)c1cccc(O)c1 |w:7.15,c:11|
NS(=O)(=O)Nc1ccc(cc1)-c1ccc(c(c1)[N+]([O-])=O)C(F)(F)F
CS(=O)(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1
Nc1cc(ccc1C(F)(F)F)-c1ccc(NS(N)(=O)=O)cc1
CNc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
CCS(=O)(=O)c1ccc(cc1)-c1ccc(NC(N)=O)c(F)c1
CN(c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)S(N)(=O)=O
CN(C)C(=O)Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
[#7]\[#6](-[#7])=[#7]\c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
CNS(=O)(=O)Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
NS(=O)(=O)Nc1ccc(cc1)-c1ccc2OC(F)(F)OC(F)(F)c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1ccc(CC(F)(F)F)cc1
NS(=O)(=O)Nc1ccc(cc1Cl)-c1ccc(cc1)C(F)(F)F
NS(=O)(=O)Nc1ccc(c(F)c1)-c1ccc(cc1)C(F)(F)F
NS(=O)(=O)Oc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Cc1ccc(cc1)-c1ccc(NC(N)=O)cc1
NS(=O)(=O)Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
NS(=O)(=O)Nc1ccc(cc1F)-c1ccc(cc1)C(F)(F)F
NC(=O)Nc1ccc(cc1)-c1ccc(cc1)C(=O)C(F)(F)F
NS(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
CS(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(F)(F)F
NC(=O)Nc1ccc(cc1F)-c1ccc(cc1)C(F)(F)F
CS(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)C(F)(F)F
NC(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
NC(=O)Oc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
CNC(=O)Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
NS(=O)(=O)Nc1ccc(cc1C#N)-c1ccc(cc1)C(F)(F)F
NC(=S)Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
NC(=O)Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
CN(C)S(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
FC(F)(F)c1ccc(cc1)-c1ccccc1
NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
CC(C)c1ccc(cc1)-c1ccc(NC(N)=O)cc1
NS(=O)(=O)Nc1ccc(cc1)-c1ccc2OC(F)(F)C(F)(F)Oc2c1
NS(=O)(=O)Nc1ccc(cc1O)-c1ccc(cc1)C(F)(F)F
Cc1cc(ccc1NS(N)(=O)=O)-c1ccc(cc1)C(F)(F)F
CN(c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)S(C)(=O)=O
NC(=O)Nc1ccc(cc1)-c1cccc(c1)C(F)(F)F
CS(=O)(=O)Nc1ccc(cc1)-c1ccc(OC(F)(F)F)cc1
Nc1cc(ccc1NS(N)(=O)=O)-c1ccc(cc1)C(F)(F)F
NS(=O)(=O)Nc1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
NC(=O)Nc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(F)(F)F
NC(NC#N)=Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F |w:5.5|
Oc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
CCS(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
CNc1cc(ccc1NS(N)(=O)=O)-c1ccc(cc1)C(F)(F)F
NS(=O)(=O)Nc1ccc(cc1)-c1ccc2OCOc2c1
NC(=O)Nc1ccc(cc1)-c1ccc(SC(F)(F)F)cc1
NS(=O)(=O)Nc1c(F)cc(cc1F)-c1ccc(cc1)C(F)(F)F
CC(C)(C)c1ccc(cc1)-c1ccc(NC(N)=O)cc1
CC1(C)Oc2ccc(cc2O1)-c1ccc(NS(N)(=O)=O)cc1
NC(=O)Nc1ccc(cc1)-c1ccccc1
CS(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
NS(=O)(=O)Nc1ccc(cc1)-c1ccc2OC(F)(F)Oc2c1
OC(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
NS(=O)(=O)Nc1ccc(cc1)-c1ccc2OCCOc2c1
COc1cc(ccc1NS(N)(=O)=O)-c1ccc(cc1)C(F)(F)F
NC(=O)Nc1ccc(cc1F)-c1ccc(Br)c(F)c1
CC(=O)N1N=C(C[C@@]1(CCCN1CCCC1)c1ccccc1)c1cc(F)ccc1F |c:4|
CC(=O)N1N=C(C[C@@]1(CCCN1CC(F)C1)c1ccccc1)c1cc(F)ccc1F |c:4|
CC(=O)N1N=C(C[C@@]1(CCCN1CCOCC1)c1ccccc1)c1cc(F)ccc1F |c:4|
CC(=O)N1N=C(C[C@@]1(CCCN1CCN(CC1)C(C)=O)c1ccccc1)c1cc(F)ccc1F |c:4|
CC(=O)N1N=C(C[C@@]1(CCCN1CCC(F)(F)C1)c1ccccc1)c1cc(F)ccc1F |c:4|
CN(C)CCC[C@]1(CC(=NN1C(C)=O)c1cc(F)ccc1F)c1ccccc1 |c:8|
COCCN(C)CCC[C@]1(CC(=NN1C(C)=O)c1cc(F)ccc1F)c1ccccc1 |c:11|
CC(=O)N1N=C(C[C@@]1(C[C@H](F)CN)c1ccccc1)c1cc(F)ccc1F |c:4|
CC(=O)N1N=C(C[C@@]1(CCCN1CC[C@H](F)C1)c1ccccc1)c1cc(F)ccc1F |c:4|
CC(=O)N1N=C(C[C@@]1(CCCN1C[C@H]2C[C@@H]1CO2)c1ccccc1)c1cc(F)ccc1F |c:4|
CC(=O)N1N=C(C[C@@]1(CCCN1CC2CCC1C2)c1ccccc1)c1cc(F)ccc1F |c:4,TLB:10:11:17:14.15|
CC(=O)N1N=C(C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |c:4|
CN(C)C(=O)N1CC(=C[C@@]1(CC[C@@H](N)C(F)F)c1ccccc1)c1cc(F)ccc1F |r,c:7|
CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN)c1ccccc1 |t:3|
CC(=O)C1=NN2[C@@H](COc3ccc(Cl)cc23)C1(CCCN1CCOCC1)c1ccccc1 |t:3|
CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCO)c1ccccc1 |t:3|
CN(C)CCC[C@]1([C@@H]2COc3ccc(F)cc3N2N=C1C(C)=O)c1ccccc1 |c:20|
CC(=O)C1=NN2[C@@H](COc3ccccc23)[C@H]1c1ccccc1 |t:3|
CN1CCN(CCC[C@]2([C@@H]3COc4ccc(F)cc4N3N=C2C(C)=O)c2ccccc2)CCC1=O |c:22|
CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@H]1c1ccccc1 |t:3|
CC(=O)N1CCN(CCC[C@]2([C@@H]3COc4ccc(Cl)cc4N3N=C2C(C)=O)c2ccccc2)CC1 |c:24|
CC(=O)C1=NN2[C@@H](COc3ccc(C)cc23)[C@@]1(CCCN1CCOCC1)c1ccccc1 |t:3|
CC(=O)N1CCN(CCC[C@]2(CN(N=C2C(C)=O)c2cc(F)ccc2F)c2ccccc2)CC1 |c:13|
CC(=O)N1CCN(CCC[C@]2([C@@H]3COc4ccc(F)cc4N3N=C2C(C)=O)c2ccccc2)CC1 |r,c:24|
CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN1CCNC(=O)CC1)c1ccccc1 |t:3|
CN(C)CCC[C@]1([C@@H]2COc3ccc(C)cc3N2N=C1C(C)=O)c1ccccc1 |c:20|
CN(C)CCC[C@]1([C@@H]2COc3ccc(Cl)cc3N2N=C1C(C)=O)c1ccccc1 |c:20|
CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN1CCNCC1)c1ccccc1 |t:3|
CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN1CCOCC1)c1ccccc1 |t:3|
FC(F)(F)c1ccc(cc1)-c1ccc(cc1)C#N
Fc1cc(ccc1C(F)(F)F)-c1ccc(cc1)C#N
Oc1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
Nc1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
OCc1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
NCc1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
Fc1cc(ccc1C(F)(F)F)-c1ccc(C=O)cc1
CC(=O)c1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
COC(=O)c1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
c1cc(ccc1c2ccc(c(c2)F)C(F)(F)F)S(=O)(=O)N
CC(C)(C)c1ccc(cc1)-c1ccncc1
CC(C)(C)c1cccc(c1)-c1ccncc1
CC(C)(C)c1ccccc1-c1ccncc1
CC(C)(C)c1ccc(cc1)-c1cccnc1
CC(C)(C)c1ccc(cc1)-c1ccccn1
CC(C)(C)c1ccc(cc1)-c1ccc(cc1)C#N
CNS(=O)(=O)c1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
CN(C)S(=O)(=O)c1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
CS(=O)c1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
CS(=O)(=O)c1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
CCS(=O)(=O)c1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
CS(=O)(=O)Nc1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
NS(=O)(=O)NCc1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
NS(=O)(=O)Nc1ccc(cn1)-c1ccc(c(F)c1)C(F)(F)F
NS(=O)(=O)Nc1ccc(cc1)-c1ccc(cn1)C(F)(F)F
CC(c1ccccc1C(F)(F)F)n1c(Nc2ccc(cc2)S(N)(=O)=O)nc2cc(ccc12)C(N)=O
NC(=O)c1ccc2n(c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1)C1(CC1)c1ccccc1
NC(=O)c1ccc2n(Cc3ccccn3)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
COc1ccccc1Cn1c(Nc2ccc(cc2)S(N)(=O)=O)nc2cc(ccc12)C(N)=O
COc1cccc(Cn2c(Nc3ccc(cc3)S(N)(=O)=O)nc3cc(ccc23)C(N)=O)c1OC
NC(=O)c1ccc2n(Cc3nc4ccccc4s3)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
NC(=O)c1ccc2n(Cc3csc4ccc(Cl)cc34)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
NC(=O)c1ccc2n(Cc3csc4ccccc34)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1
COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1F
NS(=O)(=O)c1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
CS(=O)(=O)c1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1F
CSc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
COC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
COC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(OC)cc3)nc2c1
COC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(SC)cc3)nc2c1
CNC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(OC)cc3)nc2c1
CNC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
CN(C)C(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
NS(=O)(=O)c1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(=O)N2CCCC2)cc1
COc1ccccc1NC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1
COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(=O)Nc2ccccc2OC)cc1
NC1CCN(C1)c1nc2cc(ccc2n1Cc1ccccc1C(F)(F)F)C(O)=O
Cc1ccc(CNc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
COc1ccc(CNc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
CS(=O)(=O)c1ccc(CNc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
NS(=O)(=O)c1ccc(CNc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
OC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(NCCN3CCOCC3)nc2c1
NC(=O)c1ccc2nc(Nc3ccc(cc3)S(N)(=O)=O)n(Cc3ccccc3C(F)(F)F)c2c1
NC(=O)c1cc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(cc3)S(N)(=O)=O)nc2cc1F
NC(=O)c1cc2nc(Nc3ccc(cc3)S(N)(=O)=O)n(Cc3ccccc3C(F)(F)F)c2cc1F
COc1ccc(Cc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
CSc1ccc(Cc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1
FC(F)(F)c1ccc(cc1)-c1cn2ccc[n+]2[n-]1
FC(F)(F)c1ccc(cc1)-c1ccc(cc1)-c1cn2ccc[n+]2[n-]1
NCCC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(O)c1
NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccnc(N)c1
NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1C1CCCCC1
Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCN)c1cccc(F)c1
CC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(O)c1
NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(=O)[nH]c1
Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCN)c1ccc2oc(=O)[nH]c2c1
Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCN)c1cccc(NS(C)(=O)=O)c1
COc1cccc(c1)C1N(CCc2c1[nH]c1ccc(C)cc21)C(=O)CCN
Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCN)c1ccccc1
CC(C)[C@@H](N)C(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1 |r|
CC(C)[C@H](N)C(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1 |r|
CS(=O)(=O)NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1
Oc1cccc(c1)C1N(CCc2c1[nH]c1ccc(Cl)cc21)C(=O)CC1CCNCC1
CN1CCCC(C1)C(=O)N1CCc2c([nH]c3ccc(C)cc23)C1c1cccc(O)c1
Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCN1CCCCC1)c1cccc(O)c1
NCCS(=O)(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1
Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCCN)c1cccc(O)c1
Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CN)c1cccc(O)c1
CCC(=O)N1CCc2c([nH]c3ccc(C)cc23)C1c1cccc(O)c1
NCCC(=O)N1CCc2c([nH]c3ccc(OC(F)(F)F)cc23)C1c1cccc(O)c1
NCCC(=O)N1CCc2c([nH]c3ccc(O)cc23)C1c1cccc(O)c1
NCCC(=O)N1CCc2c([nH]c3ccc(Br)cc23)C1c1cccc(O)c1
NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1
NCCC(=O)N1CCc2c([nH]c3ccc(cc23)-c2ccccc2)C1c1cccc(O)c1
CC(C)c1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCN)c1cccc(O)c1
CCc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCN)c1cccc(O)c1
Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCN)c1cccc(O)c1
NCCC(=O)N1CCc2c([nH]c3ccc(F)cc23)C1c1cccc(O)c1
CC(=O)N1CCc2c([nH]c3ccc(C)cc23)C1c1cccc(O)c1
[H][C@]12Cc3c([nH]c4ccccc34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@H](CC(=O)[C@@]3(C)[C@]1([H])CC2)C(C)(C)O |r|
CC(C)(O)[C@@H]1C[C@@H](O)[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@]32C)O1 |r|
NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1c[nH]c2ccccc12
CCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1c[nH]c2ccccc12
CC(C)C(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1c[nH]c2ccccc12
CC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1c[nH]c2ccccc12
CC(C)C(=O)N1CCc2c([nH]c3ccc(C)cc23)C1c1c[nH]c2ccccc12
CC(=O)N1CCc2c([nH]c3ccc(C)cc23)C1c1c[nH]c2ccccc12
CC[C@@H](N(CCCN(C)C)C(=O)c1ccc(Br)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
NCCCCN1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1
NCCCN1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1
NCCN1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1
Cc1ccc2[nH]c3C(N(CCCCN)CCc3c2c1)c1cccc(O)c1
Cc1ccc2[nH]c3C(N(CCCN)CCc3c2c1)c1cccc(O)c1
Cc1ccc2[nH]c3C(N(CCN)CCc3c2c1)c1cccc(O)c1
Cc1ccc2[nH]c3C(N(Cc4ccccc4)CCc3c2c1)c1cccc(O)c1
CN1CCc2c([nH]c3ccc(C)cc23)C1c1cccc(O)c1
Oc1cccc(c1)C1N(Cc2ccccc2)CCc2c1[nH]c1ccc(Cl)cc21
CCCN1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1
CN1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1
Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)c1ccc(N)cc1)c1cccc(O)c1
Nc1ccc(cc1)C(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1
NCCC(=O)N1CCc2c([nH]c3c(Cl)cccc23)C1c1cccc(O)c1
CC(N)C(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1
NCCNC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c1cccc(O)c1
OCCNC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c1cccc(O)c1
CCCC(=O)N1C(Cc2c([nH]c3ccccc23)C1c1cccc(O)c1)C(O)=O
CCC(=O)N1C(Cc2c([nH]c3ccccc23)C1c1cccc(O)c1)C(O)=O
CCOC(=O)C1Cc2c([nH]c3ccccc23)C(N1C(=O)C(C)C)c1cccc(O)c1
CCCC(=O)N1C(Cc2c([nH]c3ccccc23)C1c1cccc(O)c1)C(=O)OCC
CCOC(=O)C1Cc2c([nH]c3ccccc23)C(N1C(=O)CC)c1cccc(O)c1
CCOC(=O)C1Cc2c([nH]c3ccccc23)C(N1C(C)=O)c1cccc(O)c1
Cc1ccc2[nH]c3ccc(cc3c2c1)C(F)(F)F
Cc1ccc2c(c1)[nH]c1ccc(cc21)C(F)(F)F
FC(F)(F)c1ccc2[nH]c3ccccc3c2c1
CC(=O)c1ccc2[nH]c3cc(C)ccc3c2c1
Cc1ccc2c(c1)[nH]c1ccc(F)cc21
COC(=O)c1ccc2[nH]c3cc(ccc3c2c1)C(C)(C)C
CC(C)(C)c1ccc2c(c1)[nH]c1ccccc21
Cc1ccc2c(c1)[nH]c1ccccc21
CCc1ccc2c(c1)[nH]c1ccccc21
CC(C)c1ccc2c(c1)[nH]c1ccccc21
FC(F)c1ccc2c(c1)[nH]c1ccccc21
FC(F)(F)Oc1ccc2c(c1)[nH]c1ccccc21
CC(C)(C)Oc1ccc2c(c1)[nH]c1ccccc21
COC(=O)c1ccc2c(c1)[nH]c1ccccc21
O=Cc1ccc2c(c1)[nH]c1ccccc21
CC(C)(C)c1ccc2c(c1)[nH]c1ccc(cc21)C(O)=O
CC(C)(C)c1ccc2c(c1)[nH]c1cc(ccc21)C(F)(F)F
CC(C)(C)c1ccc2[nH]c3ccccc3c2c1
O=Cc1ccc2[nH]c3ccccc3c2c1
Cc1cccc2c1[nH]c1ccccc21
CC(C)(C)c1cccc2c1[nH]c1ccccc21
FC(F)(F)c1cccc2c1[nH]c1ccccc21
Cn1c2ccccc2c2ccc(cc12)C(F)(F)F
C1CCc2cc3c(cc2C1)[nH]c1ccccc31
C1CCc2c(C1)ccc1c2[nH]c2ccccc12
c1ccc2c(c1)[nH]c1c2ccc2ccccc12
Oc1cccc(c1)[C@@H]1NC(=S)N=C2CCCC(=O)C12 |r,t:12|
CC1(C)CC(=O)C2[C@@H](NC(=S)N=C2C1)c1cccc(O)c1 |r,c:11|
CCOC(=O)C1[C@H](NC(=S)N=C1C)c1cccc(O)c1 |r,c:10|
COc1ccc(NC(=O)C2C(c3ccco3)c3cn[nH]c3N=C2C)cc1 |c:23|
COc1ccc(NC(=O)C2C(c3cccs3)c3cn[nH]c3N=C2C)cc1 |c:23|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)cc1)c1ccccc1 |t:1|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 |t:1|
CC1=C(C(C2C(=O)CC(C)(C)CC2=N1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 |c:13,t:1|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1 |t:1|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1cccs1 |t:1|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccccc1 |t:1|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 |t:1|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1cccs1 |t:1|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1cccs1 |t:1|
CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 |t:1|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccco1 |t:1|
COc1ccc(NC(=O)C2C(c3ccco3)n3c(nc4ccccc34)N=C2C)cc1 |c:28|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |t:1|
COc1ccc(NC(=O)C2C(c3cn[nH]c3N=C2C)c2ccccc2)cc1 |c:17|
CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccco1 |t:1|
CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(F)cc1)c1ccco1 |t:1|
CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)cc1)c1ccco1 |t:1|
CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |t:1|
CN(C)c1ccc(cc1)-c1nc2ncc(Cl)cc2[nH]1
N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(cc1)C1CCCCC1)C(O)=O |r|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(cc1)-c1ccccc1)C(O)=O |r|
CC(C)(C)c1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
CCCCc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
CC(C)c1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
CCCc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
CCc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
CSc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(I)cc1)C(O)=O |r|
NC(CSC(c1ccccc1)(c1ccccc1)c1ccc(cc1)C(O)=O)C(O)=O
CCC(C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
CCC(CC)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
N[C@@H](CSC(c1cccs1)(c1ccccc1)c1ccccc1)C(O)=O |r|
FC(F)(F)c1ccc(cc1)-c1ccncc1
FC(F)(F)c1ccc2c(c1)[nH]c1ncccc21
FC(F)(F)c1ccc2c(c1)[nH]c1cccnc21
FC(F)(F)c1ccc2c(c1)[nH]c1c3CCC(=O)Nc3ccc21
FC(F)(F)c1ccc2c(c1)[nH]c1cc3NC(=O)CCc3cc21
FC(F)(F)c1ccc2c(c1)[nH]c1cc3CCC(=O)Nc3cc21
FC(F)(F)c1ccc2c(c1)[nH]c1ccc3NC(=O)CCc3c21
NC(=O)Nc1ccc2c(c1)[nH]c1cc(ccc21)C(F)(F)F
FC(F)(F)c1ccc2c(c1)[nH]c1cc3NC(=O)Cc3cc21
FC(F)(F)c1ccc2c(c1)[nH]c1cc3NC(=O)CCCc3cc21
FC(F)(F)c1ccc2c(c1)[nH]c1c3CCCC(=O)Nc3ccc21
FC(F)(F)c1ccc2c(c1)[nH]c1cc3[nH]ccc3cc21
COc1ccc(cc1)C(SC[C@@H](N)CO)(c1ccccc1)c1ccccc1 |r|
COc1ccc(cc1)C(SCCN)(c1ccccc1)c1ccccc1
COc1ccc(cc1)C(SC[C@@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
N[C@H](CO)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
COc1ccc(cc1)C(SC[C@H](N)CO)(c1ccccc1)c1ccccc1 |r|
CN1CCN(CC1)c1ccc2nc(c(C)c(O)c2c1)-c1ccccc1
CN1CCN(CC1)c1ccc2nc(c(C)c(O)c2c1)-c1cccc(O)c1
CN1CCN(CC1)c1ccc2nc(c(C)c(O)c2c1)-c1ccc(O)cc1
Cc1c(O)c2cc(ccc2nc1-c1ccccc1)N1CCCCC1
Cc1c(O)c2cc(ccc2nc1-c1cccc(O)c1)N1CCCCC1
Cc1c(O)c2cc(ccc2nc1-c1ccc(O)cc1)N1CCCCC1
Cc1c(O)c2cc(ccc2nc1-c1ccccc1)N1CCOCC1
Cc1c(O)c2cc(ccc2nc1-c1cccc(O)c1)N1CCOCC1
CN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(Cc3ccccc3)c(O)c2c1
CN1CCN(CC1)c1ccc2nc(-c3cccc(O)c3)c(Cc3ccccc3)c(O)c2c1
CN1CCN(CC1)c1ccc2nc(-c3ccc(O)cc3)c(Cc3ccccc3)c(O)c2c1
Oc1c(Cc2ccccc2)c(nc2ccc(cc12)N1CCCCC1)-c1ccccc1
Oc1cccc(c1)-c1nc2ccc(cc2c(O)c1Cc1ccccc1)N1CCCCC1
Oc1ccc(cc1)-c1nc2ccc(cc2c(O)c1Cc1ccccc1)N1CCCCC1
Oc1c(Cc2ccccc2)c(nc2ccc(cc12)N1CCOCC1)-c1ccccc1
Oc1cccc(c1)-c1nc2ccc(cc2c(O)c1Cc1ccccc1)N1CCOCC1
CC1Nc2ccc(cc2C(=O)N1c1cccc(O)c1)N1CCCCC1
CC1Nc2ccc(cc2C(=O)N1c1ccc(O)cc1)N1CCCCC1
CC1Nc2ccc(cc2C(=O)N1c1ccccc1)N1CCOCC1
CC1Nc2ccc(cc2C(=O)N1c1ccc(O)cc1)N1CCOCC1
CC1Nc2ccc(cc2C(=O)N1c1ccccc1)N1CCCC1
CC1Nc2ccc(cc2C(=O)N1c1cccc(O)c1)N1CCCC1
CC1Nc2ccc(cc2C(=O)N1c1ccc(O)cc1)N1CCCC1
O=C1N(C(Cc2ccccc2)Nc2ccc(cc12)N1CCCCC1)c1ccccc1
Oc1cccc(c1)N1C(Cc2ccccc2)Nc2ccc(cc2C1=O)N1CCCCC1
Oc1ccc(cc1)N1C(Cc2ccccc2)Nc2ccc(cc2C1=O)N1CCCCC1
O=C1N(C(Cc2ccccc2)Nc2ccc(cc12)N1CCOCC1)c1ccccc1
Oc1cccc(c1)N1C(Cc2ccccc2)Nc2ccc(cc2C1=O)N1CCOCC1
Oc1ccc(cc1)N1C(Cc2ccccc2)Nc2ccc(cc2C1=O)N1CCOCC1
O=C1N(C(Cc2ccccc2)Nc2ccc(cc12)N1CCCC1)c1ccccc1
Oc1cccc(c1)N1C(Cc2ccccc2)Nc2ccc(cc2C1=O)N1CCCC1
Oc1ccc(cc1)N1C(Cc2ccccc2)Nc2ccc(cc2C1=O)N1CCCC1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1cccc(F)c1
CCC(N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccn(C)c2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(Br)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc2ccccc2c1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1cc2ccccc2s1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(Cl)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sc(Cl)cc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1cccc(C)c1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(CC)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccc(C)cc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1F
CCC(N(CCCN)C(=O)c1ccc(F)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sc(Br)cc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(Cl)cc1Cl)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc2OCOc2c1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccc(OC)cc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sc(Cl)c(Br)c2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccccc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccc(Cl)cc1
CCC(N(CCCN)C(=O)c1ccc(cc1)C(F)(F)F)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(OC)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CC1CNCCO1)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1cccc(c1)C(F)(F)F)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ncccc2c(=O)n1Cc1ccccc1
CCC(N(CCCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1sccc1C)c1nc2ccsc2c(=O)n1Cc1ccccc1
CC(C)C(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccco1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccccc1Cl)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1cc(C)on1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1CC1CC1
CCC(N(CCCN)C(=O)c1ccc(cc1)C(C)C)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)nc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccccc1C)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(C1CCNCC1)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccno1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CC1CCNCC1)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sccc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)C1COc2ccccc2O1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(OC(F)(F)F)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(cc1)C#N)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCNC(C)=O)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc2nccnc2c1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccn1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1cccnc1
CCC(N(CCCN)C(=O)C1CCCC1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)CC(C)C)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccncc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2nccnc2c(=O)n1Cc1ccccc1
CCCCC(=O)N(CCCN)C(CC)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(cc1)C(=O)OC)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCNS(C)(=O)=O)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)C1CC1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)[nH]1
CCC(N(CCCN)C(=O)C1CCC(CC1)OC)c1nc2ccsc2c(=O)n1Cc1ccccc1 |(38.06,-13.97,;38.06,-15.51,;36.73,-16.28,;36.73,-17.82,;38.06,-18.59,;39.39,-17.82,;40.72,-18.6,;42.05,-17.84,;35.39,-18.59,;34.06,-17.82,;35.39,-20.13,;34.05,-20.88,;34.05,-22.42,;35.38,-23.2,;36.71,-22.43,;36.72,-20.89,;35.37,-24.74,;34.03,-25.5,;35.39,-15.51,;34.07,-16.27,;32.74,-15.51,;31.26,-15.99,;30.35,-14.73,;31.26,-13.48,;32.74,-13.96,;34.07,-13.19,;34.07,-11.65,;35.39,-13.97,;36.73,-13.2,;36.74,-11.66,;38.07,-10.9,;38.08,-9.36,;36.75,-8.59,;35.4,-9.36,;35.41,-10.9,)|
CCC(NC(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1cscn1
CCC(N(CCCNC(=O)OC(C)(C)C)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2c(C)nsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2onc(C)c2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccoc2c(=O)n1Cc1ccccc1
OC(CNCCc1ccccc1)CN1c2ccccc2Sc2ccc(Cl)cc12
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nn2cccc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nn2ccc(Cl)c2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nn2c(Cl)cc(Cl)c2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(Cl)cc1)c1nn2c(Cl)ccc2c(=O)n1Cc1ccccc1
CCC(N(CC(C)(C)N)C(=O)c1ccc(Cl)cc1)c1nn2cccc2c(=O)n1Cc1ccccc1
Cc1ccc(cc1)C(=O)N(CCCN)[C@H](C2CC2)C3=Nn4ccc(c4C(=O)N3Cc5ccccc5)Cl
Cc1ccc(cc1)C(=O)N(CCCN)C(C=C)c1nn2ccc(Cl)c2c(=O)n1Cc1ccccc1
CCC(N(CCCO)C(=O)c1ccc(C)cc1)c1nn2cccc2c(=O)n1Cc1ccccc1
NCCCN(Cc1nn2ccc(Cl)c2c(=O)n1Cc1ccccc1)C(=O)c1ccc(Cl)cc1
CCC(N(CCCN)C(=O)c1ccc(Cl)cc1)c1nn2ccc(Cl)c2c(=O)n1Cc1ccccc1
CCC(N(CCC(C)(C)N)C(=O)c1ccc(Cl)cc1)c1nn2cccc2c(=O)n1Cc1ccccc1
Cc1ccc(cc1)C(=O)N(CCC(N)=O)C(C1CC1)c1nn2c(Cl)ccc2c(=O)n1Cc1ccccc1
CCC(N(CC1CCNCC1)C(=O)c1ccc(C)cc1)c1nn2cccc2c(=O)n1Cc1ccccc1
Cc1ccc(cc1)C(=O)N(CCCN)C(C1CC1)c1nn2c(Cl)ccc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nn2c(Cl)ccc2c(=O)n1Cc1ccccc1
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nn2cc(Cl)cc2c(=O)n1Cc1ccccc1
CCNCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
CC(C)(O)C1C[C@@H](O)[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@]32C)O1 |w:4.3|
[H][C@]1(C=C(CN1C(=O)C(C)(C)CN)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
[H][C@]1(C=C(CN1C(=O)[C@@H](O)C1CC1)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
OC(=O)c1cc2C3C(C4C(c2cc1S(O)(=O)=O)C1(Cl)C(Cl)=C(Cl)C4(Cl)C1(Cl)Cl)C1(Cl)C(Cl)=C(Cl)C3(Cl)C1(Cl)Cl |t:22,35|
[H][C@]1(C=C(CN1C(=O)N(C)C1CCN(CC1)C(C)=O)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
Cc1ccc(cc1)C(=O)N(CCCN)Cc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Oc1cccc2ccc(SSc3ccc4cccc(O)c4n3)nc12
N[C@@H](C1CC1)C(=O)N1CC(=C[C@H]1c1ccccc1)c1cc(F)ccc1F |c:10|
CN1C[C@H](c2ccccc2)c2ccc3OCCc3c2C1
CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
[H][C@]1(C=C(CN1C(=O)[C@@H](NC(=O)OCCO)C(C)(C)C)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
OC1CC2CCC(C1)[NH+]2CCCN1c2ccccc2Sc2ccc(Cl)cc12 |w:8.10,6.6,3.2,1.0,TEB:9:8:7.1.2:4.5,0:1:8:4.5,(-.11,-20.47,;-1.45,-19.7,;-1.45,-18.16,;-2.78,-17.39,;-2.02,-18.71,;-2.57,-19.7,;-4.11,-19.7,;-2.78,-20.47,;-4.11,-18.16,;-5.45,-17.4,;-5.46,-15.86,;-6.79,-15.09,;-6.8,-13.55,;-8.14,-12.79,;-9.48,-13.57,;-10.81,-12.8,;-10.81,-11.25,;-9.48,-10.48,;-8.14,-11.24,;-6.81,-10.46,;-5.47,-11.23,;-4.14,-10.45,;-2.8,-11.21,;-2.78,-12.76,;-1.45,-13.53,;-4.12,-13.54,;-5.46,-12.78,)|
CC(=O)N1N=C(C[C@H]1c1ccccc1)c1cc(F)ccc1F |c:4|
[H][C@]1(C=C(CN1C(=O)N(C)CCCN)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
NCCCCCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(O)c3)n2c1=O
Oc1cccc(C(C(c2cc(Cl)c(O)c(Cl)c2)c2cc(Cl)c(O)c(Cl)c2)c2cc(Cl)c(O)c(Cl)c2)c1Cl |w:6.27|
Cc1cc(C)c2[C@H]3OCCC[C@H]3[C@@H](Nc2c1)c1ccccc1 |r|
CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1cccc(O)c1 |r|
CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccc(O)cc1 |r|
CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccc(O)c(O)c1 |r|
CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccc(O)c(F)c1 |r|
COc1ccc(cc1F)[C@@H]1Nc2ccc(cc2[C@H]2OCCC[C@@H]12)C(C)(C)C |r|
CC(=O)Nc1ccc(cc1)[C@@H]1Nc2ccc(cc2[C@H]2OCCC[C@@H]12)C(C)(C)C |r|
CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1cccc(N)c1 |r|
CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccc(cc1)C(O)=O |r|
CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccccc1F |r|
CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccc(F)cc1 |r|
CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1cccs1 |r|
CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccsc1 |r|
CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccc(Cl)s1 |r|
CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ncc[nH]1 |r|
CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1nccs1 |r|
CC(C)(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1cccnc1 |r|
CC(C)(C)c1ccc2N[C@@H](C3CCCCC3)[C@@H]3CCCO[C@@H]3c2c1 |r|
CC(C)(C)c1ccc2N[C@@H](CCCCO)[C@@H]3CCCO[C@@H]3c2c1 |r|
NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c1ccccc1 |r|
OCCCNC(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c1ccccc1 |r|
CN(C)CCNC(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c4ccccc4
CN(C)CCOC(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c1ccccc1 |r|
CNCCS(=O)(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c1ccccc1 |r|
CN(C[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c1ccccc1)S(=O)(=O)CCCN |r|
NCCN(C[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c1ccccc1)c1ccccc1 |r|
Cc1ccc(cc1)C(=O)N(CCN)C[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c1ccccc1 |r|
FC(F)(F)c1ccc2N[C@H]([C@@H]3CC[C@H](Cn4cncn4)O[C@@H]3c2c1)c1ccccc1 |r|
CNC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c1ccc(O)cc1 |r|
Cc1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccccc1 |r|
CCc1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccccc1 |r|
CCCc1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccccc1 |r|
CC(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccccc1 |r|
FC(F)(F)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccccc1 |r|
FS(F)(F)(F)(F)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccccc1 |r|
Clc1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccccc1 |r|
N#Cc1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccccc1 |r|
N#CCc1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccccc1 |r|
FC(F)(F)Oc1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccccc1 |r|
OC(=O)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccccc1 |r|
CN(C)c1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccccc1 |r|
OCCc1ccc2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccccc1 |r|
CC(C)(C)c1ccc2[C@H]3OCCC[C@H]3[C@@H](Nc2c1)c1ccccc1 |r|
Fc1cc(cc2[C@H]3OCCC[C@H]3[C@@H](Nc12)c1ccccc1)C(F)(F)F |r|
Fc1c(Cl)ccc2[C@H]3OCCC[C@H]3[C@@H](Nc12)c1ccccc1 |r|
Cc1cc2N[C@H]([C@@H]3CCCO[C@@H]3c2cc1C)c1ccccc1 |r|
Cc1cc(C)c2N[C@H]([C@@H]3CCCO[C@@H]3c2c1)c1ccccc1 |r|
CNC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c1ccc(F)cc1 |r|
CNC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(C)(C)C)c1ccccc1 |r|
CCN(CCO)C[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(C)(C)C)c1ccccc1 |r|
CNC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(C)(C)C)c1cccs1 |r|
CNC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C1CC1)c1ccccc1 |r|
CC(C)c1ccc2N[C@H]([C@@H]3CC[C@H](CNS(=O)(=O)CCCN(C)C)O[C@@H]3c2c1)c1ccccc1 |r|
CNC[C@H]1CC[C@H]2[C@@H](Nc3c(F)cc(Br)cc3[C@H]2O1)c1ccccc1 |r|
CC(=O)NCCNC[C@H]1CC[C@H]2[C@@H](Nc3c(F)cc(Br)cc3[C@H]2O1)c1ccccc1 |r|
CN(C)CCCC(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3c(F)cc(Br)cc3[C@H]2O1)c1ccccc1 |r|
OCCNC[C@H]1CC[C@H]2[C@@H](Nc3c(F)cc(Cl)cc3[C@H]2O1)c1ccccc1 |r|
CN(C)CCS(=O)(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3c(F)cc(Cl)cc3[C@H]2O1)c1ccccc1 |r|
NCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
Cc1cccc(c1)C(CC[C@@H](C(=O)O)N)(c2ccccc2)c3ccccc3
COc1cccc(c1)C(SCCN)(c1ccccc1)c1ccccc1
NCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
N[C@@H](CNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
NC(CCC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O
N[C@@H](CCC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
N[C@H](CCC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1Cl)C(O)=O |r|
NCCSC(c1ccccc1)(c1ccccc1)c1cccc(F)c1
Cc1ccc(cc1)C(CCCN)(c1ccccc1)c1ccccc1
CS(=O)(=O)c1ccc(cc1)C(SCCN)(c1ccccc1)c1ccccc1
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1O)C(O)=O |r|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1cccc(O)c1)C(O)=O |r|
NCCSC(c1ccccc1)(c1ccccc1)c1cccc(O)c1
NCCSC(c1ccccc1)(c1ccccc1)c1cccc(c1)C#N
NCCSC(c1ccccc1)(c1ccccc1)c1cccc(CN)c1
CC(=O)NCc1cccc(c1)C(SCCN)(c1ccccc1)c1ccccc1
NCCSC(c1ccccc1)(c1ccccc1)c1cccc(c1)C(O)=O
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1cccc(c1)C(N)=O)C(O)=O |r|
NCCSC(c1ccccc1)(c1ccccc1)c1cccc(c1)C(N)=O
CNC(=O)c1cccc(c1)C(SCCN)(c1ccccc1)c1ccccc1
CN(C)C(=O)c1cccc(c1)C(SCCN)(c1ccccc1)c1ccccc1
CS(=O)(=O)c1cccc(c1)C(SCCN)(c1ccccc1)c1ccccc1
NCCSC(c1ccccc1)(c1ccccc1)c1ccc(cc1)C#N
NCCSC(c1ccccc1)(c1ccccc1)c1ccc(CO)cc1
NCCSC(c1ccccc1)(c1ccccc1)c1ccc(CN)cc1
CC(=O)NCc1ccc(cc1)C(SCCN)(c1ccccc1)c1ccccc1
NCCSC(c1ccccc1)(c1ccccc1)c1ccc(cc1)C(N)=O
CNC(=O)c1ccc(cc1)C(SCCN)(c1ccccc1)c1ccccc1
CN(C)C(=O)c1ccc(cc1)C(SCCN)(c1ccccc1)c1ccccc1
Cc1cccc(c1)C(CC[C@H](C(=O)O)N)(c2ccccc2)c3ccccc3
Cc1cccc(c1)C(CCCN)(c1ccccc1)c1ccccc1
NCCCC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1
Cc1ccc(cc1)C(CCC(N)C(O)=O)(c1ccccc1)c1ccccc1
Cc1ccc(cc1)C(CC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Cc1ccc(cc1)C(CC[C@@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1cccc(Cl)c1)C(O)=O |r|
NCCSC(c1ccccc1)(c1ccccc1)c1cccc(Cl)c1
NCCSC(c1ccccc1)(c1ccccc1)c1cccc(Br)c1
Cc1cccc(c1)C(SCCN)(c1ccccc1)c1ccccc1
CCc1cccc(c1)C(SCCN)(c1ccccc1)c1ccccc1
CC(C)c1cccc(c1)C(SCCN)(c1ccccc1)c1ccccc1
CCCc1cccc(c1)C(SCCN)(c1ccccc1)c1ccccc1
NCCSC(c1ccccc1)(c1ccccc1)c1cccc(c1)C(F)(F)F
CSc1cccc(c1)C(SCCN)(c1ccccc1)c1ccccc1
NCCSC(c1ccccc1)(c1ccccc1)c1cccc(OC(F)(F)F)c1
CC(=O)c1cccc(c1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
CC(=O)c1cccc(c1)C(c2ccccc2)(c3ccccc3)SCCN
CC(=O)c1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
CC(=O)c1ccc(cc1)C(SCCN)(c1ccccc1)c1ccccc1
NCCCC(c1ccccc1)(c1ccccc1)c1cccc(Cl)c1
COc1ccc(cc1)-n1c(O)c(CC(=O)Nc2ccccc2)n(CCc2cccs2)c1=S
COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(cc1)C(O)=O)c1ccccc21
Cc1cc2-c3cc(C)ccc3NC(c3ccccc3F)n2n1
Cc1ccsc1CCn1c(CC(=O)Nc2ccc(F)cc2)c(O)n(-c2ccc(F)cc2)c1=S
COc1ccc(NC(=O)Cc2c(O)n(-c3ccccc3)c(=S)n2CCc2sccc2C)cc1
Cc1ccc(cc1C)-n1c2nc(nc(C(N)=O)c2[nH]c1=O)-c1ccc(F)cc1F
NCCSC(Cc1ccccc1)(c1ccccc1)c1cccc(O)c1
NCCSC(Cc1ccccc1)(c1ccccc1)c1cccc(Cl)c1
NCCSC(Cc1ccccc1)(c1ccccc1)c1ccccc1F
N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1ccc(Cl)c(Cl)c1)C(O)=O |r|
N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1ccc(O)cc1)C(O)=O |r|
Cc1ccc(cc1)C(Cc1ccccc1)(SC[C@H](N)C(O)=O)c1ccccc1 |r|
N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(O)=O |r|
N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1ccc(F)cc1)C(O)=O |r|
N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1cccc(O)c1)C(O)=O |r|
N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1cccc(Cl)c1)C(O)=O |r|
N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1ccccc1F)C(O)=O |r|
NCCSC(C(=O)c1ccccc1)(c1ccccc1)c1ccccc1
NCCSC(c1ccccc1)(c1ccccc1)c1ccncc1
N[C@@H](CSC(Cc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccccc1)C(O)=O |r|
N[C@@H](CSC(Cc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
N[C@@H](CSC(Cc1cccc(Cl)c1)(c1ccccc1)c1ccccc1)C(O)=O |r|
N[C@@H](CSC(C(=O)c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
N[C@@H](CSC(CCc1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
NCCSC(Cc1ccccc1)(c1ccccc1)c1ccccc1
N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccncc1)C(O)=O |r|
Cc1ccc(cc1)C(Cc1ccccc1)(SCCN)c1ccc(C)cc1
NCCSC(Cc1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
NCCSC(Cc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
NCCSC(Cc1ccccc1)(c1ccc(Cl)cc1)c1cccc(Cl)c1
Cc1ccc(cc1)C(Cc1ccccc1)(SC[C@H](N)C(O)=O)c1ccc(C)cc1 |r|
N[C@@H](CSC(Cc1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(O)=O |r|
N[C@@H](CSC(Cc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(O)=O |r|
N[C@@H](CSC(Cc1ccccc1)(c1ccc(Cl)cc1)c1cccc(Cl)c1)C(O)=O |r|
NCCSC(Cc1ccccc1)(c1ccccc1)c1ccc(Cl)c(Cl)c1
NCCSC(Cc1ccccc1)(c1ccccc1)c1ccc(O)cc1
Cc1ccc(cc1)C(Cc1ccccc1)(SCCN)c1ccccc1
NCCSC(Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1
NCCSC(Cc1ccccc1)(c1ccccc1)c1ccc(F)cc1
CC(=O)Nc1ncnc(N2CCCC(C2)NC(=O)COc2cccc(Cl)c2)c1-c1ccccc1
CC(=O)Nc1ncnc(N2CCCC(C2)NC(=O)Cc2cccc(F)c2)c1-c1ccccc1
CC(=O)Nc1ncnc(N2CCCC(C2)NC(=O)c2cccc(c2)C(F)(F)F)c1-c1ccccc1
Cc1ccc(cc1)C(SCCN)(c1ccccc1)c1ccccc1
CCc1ccc(cc1)C(SCCN)(c1ccccc1)c1ccccc1
CCOc1ccc(cc1)C(SCCN)(c1ccccc1)c1ccccc1
NCCSC(c1ccccc1)(c1ccccc1)c1ccc(OC(F)(F)F)cc1
CCc1cccc(c1)C(CCCN)(c1ccccc1)c1ccccc1
CC(C)c1cccc(c1)C(CCCN)(c1ccccc1)c1ccccc1
CCc1ccc(cc1)C(CCCN)(c1ccccc1)c1ccccc1
COc1ccc(cc1)C(CCC(N)C(O)=O)(c1ccccc1)c1ccccc1
COc1ccc(cc1)C(CCCN)(c1ccccc1)c1ccccc1
NC(CCC(c1ccccc1)(c1ccccc1)c1ccc(O)cc1)C(O)=O
Cc1cccc(c1F)C(SCCN)(c1ccccc1)c1ccccc1
Cc1ccc(c(F)c1)C(SCCN)(c1ccccc1)c1ccccc1
COc1ccc(c(F)c1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
COc1ccc(c(F)c1)C(SCCN)(c1ccccc1)c1ccccc1
COc1ccc(cc1F)C(SCCN)(c1ccccc1)c1ccccc1
NCCSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)c(Cl)c1
Cc1ccc(cc1C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Cc1ccc(cc1C)C(SCCN)(c1ccccc1)c1ccccc1
CCc1cc(ccc1C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
CCc1cc(ccc1C)C(SCCN)(c1ccccc1)c1ccccc1
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2CCCCc2c1)C(O)=O |r|
NCCSC(c1ccccc1)(c1ccccc1)c1ccc2CCCCc2c1
COc1ccc(c(F)c1)C(CCCN)(c1ccccc1)c1ccccc1
NCCCC(c1ccccc1)(c1ccccc1)c1ccc(Cl)c(Cl)c1
Cc1ccc(cc1C)C(CCC(N)C(O)=O)(c1ccccc1)c1ccccc1
Cc1ccc(cc1)C(SCCN)(c1ccccc1)c1ccc(C)cc1
NCCSC(c1ccccc1)(c1cccc(O)c1)c1cccc(Cl)c1
CCc1cccc(c1)C(SCCN)(c1ccccc1)c1cccc(O)c1
Cc1ccc(cc1)C(SCCN)(c1ccccc1)c1cccc(O)c1
Cc1ccc(cc1)C(SCCN)(c1ccccc1)c1cccc(c1)C#N
Cc1ccc(cc1)C(SCCN)(c1ccccc1)c1cccc(c1)C(N)=O
Cc1ccc(cc1)C(CCC(N)C(O)=O)(c1ccccc1)c1cccc(O)c1
Cc1ccc(cc1)C(CCCN)(c1ccccc1)c1cccc(O)c1
COc1ccc(cc1)C(CC(F)CN)(c1ccccc1)c1ccc(C)cc1
COc1ccc(cc1)C(CC(F)(F)CN)(c1ccccc1)c1ccc(C)cc1
COc1ccc(cc1)C(CCC(N)C(F)(F)F)(c1ccccc1)c1ccc(C)cc1
Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)c3ccc(cc3O2)Cl)Cc4ccccc4)C(C)C
Oc1c2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(O)c3)n2c(=O)n1Cc1ccccc1 |r|
Oc1ccc(Br)c(c1)[C@@H]1NC(=S)N=C2CCCC(=O)C12 |r,t:13|
Cc1ccc(cc1)C(=O)N1CCc2cc3OCOc3cc2C1c1cccc(O)c1
Oc1ccc(cc1)C(=O)N1CCc2cc3OCOc3cc2C1c1cccc(O)c1
NCCC(=O)N1CCc2cc3OCOc3cc2C1c1cccc(O)c1
Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=Nc3cc(ccc3C(=O)N2Cc4ccccc4)Cl)C(C)C
CCC(N(CCCN(C)C)C(=O)c1ccc(Br)cc1)c1nc2ccccc2n1Cc1ccccc1
Oc1cc(Oc2c(cc(c(Cl)c2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)cc2OC(CC(=O)c12)c1ccc(Oc2c(cc(c(Cl)c2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)cc1
Oc1cc(Oc2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)cc2OC(CC(=O)c12)c1ccc(Oc2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)cc1
Oc1c\c(cc2occ(c([O-])c12)-c1ccc(Oc2c(cc(c(Cl)c2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)cc1)=[O+]/c1c(cc(c(Cl)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
Oc1c\c(cc2occ(-c3ccc(Oc4c(cc(cc4C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O)cc3)c([O-])c12)=[O+]/c1c(cc(cc1C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O
Oc1c\c(cc2occ(-c3ccc(Oc4c(cc(cc4[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)cc3)c([O-])c12)=[O+]/c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
[O-]c1c(coc2c\c(ccc12)=[O+]\c1c(cc(c(Cl)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)-c1ccc(Oc2c(cc(c(Cl)c2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)cc1
Oc1ccc(cc1)-c1coc2cc(Oc3c(cc(cc3C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O)ccc2c1=O
COc1ccc(cc1)-c1coc2c\c(ccc2c1[O-])=[O+]\c1c(cc(c(Cl)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
COc1ccc(cc1)-c1coc2c\c(ccc2c1[O-])=[O+]\c1c(cc(cc1C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O
COc1ccc(cc1)-c1coc2c\c(ccc2c1[O-])=[O+]\c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
Oc1c(O)c2c(cc1Oc1c(cc(cc1C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O)oc(cc2=O)-c1ccccc1
Oc1c(Oc2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)\c(cc2oc(cc([O-])c12)-c1ccccc1)=[O+]\c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
Oc1c\c(cc2oc(cc([O-])c12)-c1ccc(Oc2c(cc(c(Cl)c2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)cc1)=[O+]/c1c(cc(c(Cl)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
Oc1cc(Oc2c(cc(cc2C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccc(Oc2c(cc(cc2C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O)cc1
Oc1ccc(cc1)-c1cc([O-])c2c(O)c\c(cc2o1)=[O+]/c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
Oc1c\c(cc2oc(cc([O-])c12)-c1ccccc1)=[O+]/c1c(cc(c(Cl)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
Oc1cc(Oc2c(cc(cc2C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
Oc1c\c(cc2oc(cc([O-])c12)-c1ccccc1)=[O+]/c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
COc1ccc(\C=C2/SC(NC3=NN(C(C)=O)C(C)(S3)c3ccccc3)=NC2=O)cc1OC |c:27,t:11|
CC(=O)N1N=C(NC2=NC(=O)\C(S2)=C\C=C\c2ccccc2)SC1(C)c1ccccc1 |t:4,7|
CC(=O)N1N=C(NC2=NC(=O)\C(S2)=C\c2ccccn2)SC1(C)c1ccccc1 |t:4,7|
CC(=O)N1N=C(NC2=NC(=O)\C(S2)=C\c2ccccc2)SC1(C)c1ccccc1 |t:4,7|
CC(C)OC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:6,t:9|
CN(C)CCC[C@@]1(CN(N=C1C(C)=O)c1cc(C)ccc1F)c1ccccc1 |r,c:9|
COc1ccc(\C=C\C=C2/SC(NC3=NN(C(C)=O)C(C)(S3)c3ccccc3)=NC2=O)cc1 |c:29,t:13|
COc1cccc(\C=C2/SC(NC3=NN(C(C)=O)C(C)(S3)c3ccccc3)=NC2=O)c1 |c:28,t:12|
CC(=O)N1N=C(NC2=NC(=O)\C(S2)=C\c2ccccc2F)SC1(C)c1ccccc1 |t:4,7|
CC(=O)N1N=C(NC2=NC(=O)\C(S2)=C\c2ccco2)SC1(C)c1ccccc1 |t:4,7|
CN(C)c1ccc(\C=C\C=C2/SC(NC3=NN(C(C)=O)C(C)(S3)c3ccccc3)=NC2=O)cc1 |c:30,t:14|
CC(=O)N1N=C(NC2=NC(=O)\C(S2)=C\c2cccc(c2)[N+]([O-])=O)SC1(C)c1ccccc1 |t:4,7|
CC(=O)N1N=C(NC2=NC(=O)\C(S2)=C\c2ccc(cc2)[N+]([O-])=O)SC1(C)c1ccccc1 |t:4,7|
CC(=O)N1N=C(NC2=NC(=O)\C(S2)=C\c2ccc(C)cc2)SC1(C)c1ccccc1 |t:4,7|
CC(=O)N1N=C(NC2=NC(=O)\C(S2)=C\c2ccc(Br)cc2)SC1(C)c1ccccc1 |t:4,7|
COc1cccc(\C=C2/SC(NC3=NN(C(C)=O)C(C)(S3)c3ccccc3)=NC2=O)c1OC |c:28,t:12|
CC(=O)N1N=C(NC2=NC(=O)\C(S2)=C\c2ccc(Cl)cc2)SC1(C)c1ccccc1 |t:4,7|
CC(=O)N1N=C(NC2=NC(=O)\C(S2)=C\c2ccccc2Cl)SC1(C)c1ccccc1 |t:4,7|
CC(=O)N1N=C(NC2=NC(=O)\C(S2)=C\c2cccc(Cl)c2)SC1(C)c1ccccc1 |t:4,7|
CCNCCS(=O)(=O)NC[C@]1(SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C)c1ccccc1 |r,c:19|
CC(=O)N1N=C(NC2=NC(=O)\C(S2)=C\c2cccs2)SC1(C)c1ccccc1 |t:4,7|
CN(C)c1ccc(\C=C2/SC(NC3=NN(C(C)=O)C(C)(S3)c3ccccc3)=NC2=O)cc1 |c:28,t:12|
CC(=O)N1N=C(NC2=NC(=O)\C(S2)=C\c2ccc(OCc3ccccc3)cc2)SC1(C)c1ccccc1 |t:4,7|
COc1ccc(\C=C2/SC(NC3=NN(C(C)=O)C(C)(S3)c3ccccc3)=NC2=O)cc1 |c:27,t:11|
CCOC(=O)C1=C(C)NC(=O)NC1c1cccc(O)c1 |c:5|
CC(=O)NC1=NN(C(S1)c1cc(F)ccc1F)C(C)=O |t:4|
CCC1(SC(NC(C)=O)=NN1C(C)=O)c1ccccc1 |c:8|
CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1ccsc1 |t:4|
CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1cc(F)ccc1F |t:4|
CC(=O)NC1=NN(C(S1)c1ccccc1)C(C)=O |t:4|
CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1ccco1 |t:4|
CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1ccccn1 |t:4|
CC(=O)NC1=NN(C(C)=O)[C@@](C)(S1)c1ccccc1 |r,t:4|
CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1ccncc1 |t:4|
CC(=O)NC1=NN(C(C)=O)C(C)(S1)C1CCCCC1 |t:4|
CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1cccs1 |t:4|
CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1ccc(Cl)s1 |t:4|
CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1cccnc1 |t:4|
CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1cnccn1 |t:4|
CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1ccc(OC(C)=O)cc1 |t:4|
CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1cccc2ccccc12 |t:4|
CC(=O)NC1=NN(C(S1)c1cccc2ccccc12)C(C)=O |t:4|
CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1ccc2ccccc2c1 |t:4|
[H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)N(CCCC)C2=O)c1cccc(O)c1 |r|
CC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)C(=O)c3ccccc3
NC(CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(=O)NCc1ccccc1
NC(CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(=O)NCCO
CN(C)CCNC(=O)C(N)CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12
NC(CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(=O)NCCN1CCCCC1
NCCOCCOCCNC(=O)C(N)CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12
N[C@@H](CCC(=O)C[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(O)=O)C(O)=O |r|
Oc1cccc(c1)-c1nc(cc2c3ccccc3[nH]c12)C(=O)NNC(=S)Nc1ccc(Br)cc1
CSc1nnc(o1)-c1cc2c3ccccc3[nH]c2c(n1)-c1cccc(O)c1
Cc1ccc(cc1)-n1c(n[nH]c1=S)-c1cc2c3ccccc3[nH]c2c(n1)-c1cccc(O)c1
CCCc1cc(sc1C)C(=O)N[C@H](Cc1ccc(nc1)-c1cccc(OC(F)(F)F)c1)C(=O)N[C@@H]1CCNC1 |r|
CCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(C)c2)nc1C
CCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(c2)-c2noc(C)n2)nc1C
CCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(c2)-c2nnn(C)n2)nc1C
CCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(c2)-c2noc(C)n2)cc1C
CCCOC(=O)c1sc(NC(=O)CCNC(=O)c2cccc(c2)-c2noc(C)n2)nc1C
CCCOC(=O)c1sc(NC(=O)C[C@H](CCCNC)NC(=O)c2cccc(c2)-c2noc(C)n2)nc1C |r|
CCCOC(=O)c1sc(NC(=O)C[C@H](CCCN(C)C)NC(=O)c2cccc(c2)-c2noc(C)n2)nc1C |r|
CCNC(=S)NNC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccc(O)c2)n1
Cc1ccc(NC(=S)NNC(=O)c2cc3c([nH]c4ccccc43)c(-c3cccc(O)c3)n2)cc1