493 SMILES Strings for Phenylethanolamine N-methyltransferase
Compound Name
SMILES String
BrC1=CC2CNCCC2S1 |w:8.9,3.3,t:1|
Brc1ccc2CCCNCc2c1
Brc1ccc2CCNCc2c1
Brc1cccc2c3CNCCc3ccc12
C(c1ccccc1)c1ccc2CCNCc2c1
C1C2CCN[C@H]1c1ccccc21 |TLB:7:6:0:4.3.2,10:11:0:4.3.2|
C1CCc2ccccc2CNC1
C1CNCc2ccccc2C1
C1CNc2ccccc2CN1
C1COc2ccccc2CN1
C1CSc2ccccc2CN1
C1C[C@H]2NC1Cc1ccccc21 |TLB:7:6:3:1.0,THB:10:11:3:1.0|
C1C[C@H]2NC1c1ccccc21 |TLB:6:5:3:0.1,9:10:3:0.1|
C1C[C@H]2NCC1c1ccccc21 |TLB:10:11:3.4:1.0,7:6:3.4:1.0|
C1Cc2ccc3snnc3c2CN1
C1Cc2cccc3CCC[C@@H]1c23
C1Cc2ccccc2CN1
C1Cc2sccc2CN1
C1NCc2ccccc12
C1N[C@@H]2CC1c1ccccc21 |THB:6:5:3:1.0,9:10:3:1.0|
C=CCS(=O)(=O)c1ccc2CCNCc2c1
CC(=O)Nc1ccc2CCNCc2c1
CC(=O)c1cc2CNCCc2s1
CC(=O)c1ccc2CCNCc2c1
CC(C)C1Cc2ccc(Br)cc2CN1
CC(C)C1Cc2ccc(cc2CN1)[N+]([O-])=O
CC(C)CC(O)CN
CC(C)CC(O[Si](C)(C)C)C#N
CC(C)CC=O
CC(C)NS(=O)(=O)c1ccc2CC(CF)NCc2c1
CC(N)CC1CCC=CC1 |c:7|
CC(N)CC1CCCCC1
CC(N)CC1CCCCCCC1
CC(N)Cc1ccc(Cl)c(Cl)c1
CC(N)Cc1ccc(Cl)cc1
CC(N)Cc1ccc(cc1)-c1ccccc1
CC(N)Cc1cccc(Cl)c1
CC(N)Cc1cccc(c1)-c1ccccc1
CC(N)Cc1ccccc1
CC(N)c1ccc(cc1)-c1ccccc1
CC(N)c1ccc-2c(Cc3ccccc-23)c1
CC(N)c1cccc(Cl)c1Cl
CC(N)c1cccc(c1)-c1ccccc1
CC(N)c1cccc-2c1Cc1ccccc-21
CC(N)c1ccccc1
CC1CC2SC=CC2CN1 |w:3.3,7.8,1.0,c:5|
CC1CNCc2ccccc12
CC1Cc2ccc(Br)cc2CN1
CC1Cc2ccc(cc2CN1)[N+]([O-])=O
CC1Cc2ccccc2CN1
CC1Cc2sc(Br)cc2CN1 |w:1.0|
CC1Cc2sc3ccccc3c2CN1
CC1NCCc2ccccc12
CCC(C)C(C)C(O)CN
CCC(C)C(C)C(O[Si](C)(C)C)C#N
CCC(C)C(C)C=O
CCC(CC)C(O)CN
CCC(CC)C(O[Si](C)(C)C)C#N
CCC(CC)C=O
CCC(N)Cc1ccccc1
CCC1Cc2ccc(Br)cc2CN1
CCC1Cc2ccc(cc2CN1)[N+]([O-])=O
CCC1Cc2ccccc2CN1
CCCC(N)Cc1ccccc1
CCCC(N)c1ccccc1
CCCCC(O)CN
CCCCC(O[Si](C)(C)C)C#N
CCCCC=O
CCCCCC(C)(O)CN
CCCCCC(C)(O[Si](C)(C)C)C#N
CCCCCC(C)=O
CCCCCC(O)CN
CCCCCC(O[Si](C)(C)C)C#N
CCCCCC=O
CCCCCCC(C)(O)CN
CCCCCCC(C)(O[Si](C)(C)C)C#N
CCCCCCC(C)=O
CCCCCCC(O)CN
CCCCCCC(O[Si](C)(C)C)C#N
CCCCCCC=O
CCCCCCCC(O)CN
CCCCCCCC(O[Si](C)(C)C)C#N
CCCCCCCC=O
CCCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
CCCCNS(=O)(=O)c1ccc2CC(NCc2c1)C(F)F
CCCCS(=O)(=O)c1ccc2CC(CF)NCc2c1
CCCN1CCc2ccc(Cl)c(Cl)c2C1
CCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
CCCNS(=O)(=O)c1ccc2CC(CO)NCc2c1
CCCNS(=O)(=O)c1ccc2CC(NCc2c1)C(F)F
CCCNS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1
CCCS(=O)(=O)c1ccc2CC(CF)NCc2c1
CCN1CCc2ccc(Cl)c(Cl)c2C1
CCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
CCNS(=O)(=O)c1ccc2CC(CO)NCc2c1
CCNS(=O)(=O)c1ccc2CC(NCc2c1)C(F)(F)F
CCNS(=O)(=O)c1ccc2CC(NCc2c1)C(F)F
CCNS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1
CCOCCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
CCOCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
CCS(=O)(=O)c1ccc2CC(CF)NCc2c1
CN1CCCCc2ccccc2C1
CN1CCc2ccccc2C1
CNS(=O)(=O)c1ccc2CC(CF)NCc2c1
CNS(=O)(=O)c1ccc2CCNCc2c1
COC(=O)C1Cc2ccccc2CN1
COC(=O)Nc1ccc2CCNCc2c1
COC(=O)c1ccc2CCNCc2c1
COCC1Cc2ccccc2CN1
COCCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
COCCCNS(=O)(=O)c1ccc2CC(NCc2c1)C(F)(F)F
COCCCNS(=O)(=O)c1ccc2CC(NCc2c1)C(F)F
COCCCNS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1
COCCCS(=O)(=O)c1ccc2CC(CF)NCc2c1
COCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
COc1ccc(OC)c2CNCCc12
COc1ccc2C3CC(C[C@H]3N)c2c1 |TLB:4:5:7:10.9,13:12:7:10.9,11:10:5.12:7|
COc1ccc2C3CC(N)C(C3)c2c1 |TLB:13:12:11:8.7,THB:4:5:11:8.7,9:8:12.5:11|
COc1ccc2C3CCC(N)(C3)Cc2c1 |TLB:4:5:11:7.8,THB:14:13:11:7.8|
COc1ccc2C3CCC([C@H]3N)c2c1 |TLB:13:12:10:8.7,11:10:12.5:8.7|
COc1ccc2C3C[C@@H](N)C(C3)c2c1 |TLB:9:8:12.5:11,THB:4:5:11:8.7,13:12:11:8.7|
COc1ccc2CC(N)CCc2c1
COc1ccc2CC3(N)CCC(C3)c2c1 |TLB:14:13:12:10.9,THB:4:5:12:10.9|
COc1ccc2CCC(N)Cc2c1
COc1ccc2CCNCc2c1
COc1ccc2CNCCc2c1
COc1ccc2c(CN)cccc2c1
COc1ccc2c3CCN=Cc3[nH]c2c1 |c:9|
COc1ccc2c3CNCCc3ccc2c1
COc1cccc2C3CC(CC3N)c12 |TLB:2:13:8:11.10,THB:12:11:6.13:8,5:6:8:11.10|
COc1cccc2C3CC(C[C@H]3N)c12 |TLB:2:13:8:11.10,12:11:6.13:8,5:6:8:11.10|
COc1cccc2C3CC(N)C(C3)c12 |TLB:2:13:12:9.8,THB:10:9:12:13.6,5:6:12:9.8|
COc1cccc2C3CCC([C@H]3N)c12 |TLB:2:13:11:9.8,12:11:6.13:9.8|
COc1cccc2C3C[C@@H](N)C(C3)c12 |TLB:10:9:12:13.6,THB:2:13:12:9.8,5:6:12:9.8|
COc1cccc2CC(N)CCc12
COc1cccc2CC3(N)CCC(C3)c12 |TLB:2:14:13:11.10,THB:5:6:13:11.10|
COc1cccc2CCC(N)Cc12
COc1cccc2CCNCc12
COc1cccc2CNCCc12
COc1cccc2c3CNCCc3ccc12
CS(=O)(=O)N(c1ccc2CCNCc2c1)S(C)(=O)=O
CS(=O)(=O)NCc1ccc2CCNCc2c1
CS(=O)(=O)Nc1ccc2CCNCc2c1
CS(=O)(=O)c1ccc2CC(CF)NCc2c1
CS(=O)(=O)c1ccc2CC(CO)NCc2c1
CS(=O)(=O)c1ccc2CC(NCc2c1)C(F)(F)F
CS(=O)(=O)c1ccc2CC(NCc2c1)C(F)F
CS(=O)(=O)c1ccc2CCCNCc2c1
CS(=O)(=O)c1ccc2CCNCc2c1
CS(=O)c1ccc2CCNCc2c1
CSc1ccc2CCCNCc2c1
CSc1ccc2CCNCc2c1
C[C@@H](N)C1CCCCC1
C[C@@H](N)CC1CCCCC1
C[C@@H](N)CC1CCCCCCC1
C[C@@H](N)Cc1ccccc1 |r|
C[C@@H](N)[C@@H](O)c1ccccc1
C[C@@H](N)[C@H](O)c1ccccc1
C[C@@H](N)c1ccc(Cl)c(Cl)c1
C[C@@H](N)c1ccccc1 |r|
C[C@@H]1CCc2ccc(Cl)c(Cl)c2CN1
C[C@@H]1Cc2ccc(Cl)c(Cl)c2CN1
C[C@@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
C[C@@H]1Cc2ccccc2CN1
C[C@@H]1Cc2sc(cc2CN1)C#N
C[C@@H]1Cc2sc(cc2CN1)[N+]([O-])=O
C[C@H](N)C1CCCCC1
C[C@H](N)CC1CCCCC1
C[C@H](N)CC1CCCCCCC1
C[C@H](N)Cc1ccccc1 |r|
C[C@H](N)[C@@H](O)c1ccccc1
C[C@H](N)c1ccc(Cl)c(Cl)c1
C[C@H](N)c1ccccc1 |r|
C[C@H]1CCc2ccc(Cl)c(Cl)c2CN1
C[C@H]1Cc2ccc(Cl)c(Cl)c2CN1
C[C@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
C[C@H]1Cc2ccccc2CN1
C[C@H]1Cc2sc(cc2CN1)C#N
C[C@H]1Cc2sc(cc2CN1)[N+]([O-])=O
C[C@H]1Cc2sc3ccccc3c2CN1
C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
C[Si](C)(C)OC(C#N)C12CC3CC(CC(C3)C1)C2 |TLB:15:10:17:16.14.13,15:14:17:9.10.11,THB:13:12:9:16.14.15,13:14:9:17.12.11|
C[Si](C)(C)OC(C#N)C1CCC1
C[Si](C)(C)OC(C#N)C1CCCC1
C[Si](C)(C)OC(C#N)C1CCCCCC1
C[Si](C)(C)OC(C#N)C1CCCCCCCC1
C[Si](C)(C)OC(C#N)C1CCCCCCCCCC1
C[Si](C)(C)OC1(CCCC1)C#N
C[Si](C)(C)OC1(CCCCC1)C#N
C[Si](C)(C)OC1(CCCCCC1)C#N
C[Si](C)(C)OC1(CCCCCCC1)C#N
C[Si](C)(C)OC1(CCCCCCCC1)C#N
C[Si](C)(C)OC1(CCCCCCCCCC1)C#N
Cc1cc2CNCCc2s1
Cc1ccc2CCNCc2c1
ClC(Cl)(Cl)S(=O)(=O)c1ccc2CCNCc2c1
ClCC1Cc2ccccc2CN1
ClC[C@@H]1Cc2ccccc2CN1
ClC[C@H]1Cc2ccccc2CN1
Clc1c(Cl)c(Cl)c2CNCCc2c1Cl
Clc1cc(Cl)c2CCNCc2c1Cl
Clc1cc2CCNCc2c(Cl)c1Cl
Clc1ccc(NS(=O)(=O)c2ccc3CCNCc3c2)cc1
Clc1ccc2CCCNCc2c1Cl
Clc1ccc2CCN(CCCCCCBr)Cc2c1Cl
Clc1ccc2CCN(CCCCCCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
Clc1ccc2CCN(CCCCCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
Clc1ccc2CCN(CCCCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
Clc1ccc2CCN(CCCCCCc3ccccc3)Cc2c1Cl
Clc1ccc2CCN(CCCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
Clc1ccc2CCN(CCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
Clc1ccc2CCN(CCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
Clc1ccc2CCN(CCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
Clc1ccc2CCN(Cc3ccccc3)Cc2c1Cl
Clc1ccc2CCNCc2c1
Clc1ccc2CCNCc2c1Cl
Clc1cccc2CCNCc12
FC(F)(F)C(=O)c1ccc2CCNCc2c1
FC(F)(F)C1CC2SC=CC2CN1 |w:6.5,10.11,4.3,c:8|
FC(F)(F)C1Cc2ccc(Br)cc2CN1
FC(F)(F)C1Cc2ccc(Cl)cc2CN1
FC(F)(F)C1Cc2ccc(I)cc2CN1
FC(F)(F)C1Cc2ccc(cc2CN1)C#N
FC(F)(F)C1Cc2ccc(cc2CN1)C(F)(F)F
FC(F)(F)C1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
FC(F)(F)C1Cc2ccccc2CN1
FC(F)(F)C1Cc2sc(Br)cc2CN1 |w:4.3|
FC(F)(F)C1Cc2sc3ccccc3c2CN1 |w:4.3|
FC(F)(F)CNS(=O)(=O)c1ccc2CC(NCc2c1)C(F)(F)F
FC(F)(F)[C@@H]1Cc2ccc(Cl)cc2CN1
FC(F)(F)[C@@H]1Cc2ccc(I)cc2CN1
FC(F)(F)[C@@H]1Cc2ccc(cc2CN1)C(F)(F)F
FC(F)(F)[C@H]1Cc2ccc(Cl)cc2CN1
FC(F)(F)[C@H]1Cc2ccc(I)cc2CN1
FC(F)(F)[C@H]1Cc2ccc(cc2CN1)C(F)(F)F
FC(F)(F)c1ccc2CCNCc2c1
FC(F)C1Cc2ccc(Br)cc2CN1
FC(F)C1Cc2ccc(I)cc2CN1
FC(F)C1Cc2ccc(cc2CN1)C#N
FC(F)C1Cc2ccc(cc2CN1)C(F)(F)F
FC(F)C1Cc2ccc(cc2CN1)S(=O)(=O)NCC(F)(F)F
FC(F)C1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
FC(F)C1Cc2ccccc2CN1
FC1CNCc2cc(Br)ccc2C1
FC1CNCc2cc(ccc2C1)C#N
FC1CNCc2ccccc2C1
FCC1Cc2ccc(Br)cc2CN1
FCC1Cc2ccc(I)cc2CN1
FCC1Cc2ccc(cc2CN1)C#N
FCC1Cc2ccc(cc2CN1)C(F)(F)F
FCC1Cc2ccc(cc2CN1)N=C=S
FCC1Cc2ccc(cc2CN1)N=[N+]=[N-]
FCC1Cc2ccc(cc2CN1)S(=O)(=O)CC(F)(F)F
FCC1Cc2ccc(cc2CN1)S(=O)(=O)CCC(F)(F)F
FCC1Cc2ccc(cc2CN1)S(=O)(=O)CCCC(F)(F)F
FCC1Cc2ccc(cc2CN1)S(=O)(=O)Cc1ccc(Cl)cc1
FCC1Cc2ccc(cc2CN1)S(=O)(=O)N1CCCCC1
FCC1Cc2ccc(cc2CN1)S(=O)(=O)N1CCOCC1
FCC1Cc2ccc(cc2CN1)S(=O)(=O)N1CCSCC1
FCC1Cc2ccc(cc2CN1)S(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:18.17.19,23:18:25:22.24.21,THB:21:20:17:22.24.23,21:22:17:20.25.19|
FCC1Cc2ccc(cc2CN1)S(=O)(=O)NC1CCc2ccccc2C1
FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCC(F)(F)F
FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCC(F)(F)F
FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCCC(F)(F)F
FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCCCc1ccccc1
FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCc1ccccc1
FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCc1ccccc1
FCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Br)cc1
FCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
FCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(F)cc1
FCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc2ccccc2c1
FCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1cccc(Cl)c1
FCC1Cc2ccccc2CN1
FC[C@@H]1Cc2ccc(Br)cc2CN1
FC[C@@H]1Cc2ccc(cc2CN1)C#N
FC[C@@H]1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
FC[C@@H]1Cc2ccccc2CN1
FC[C@H]1Cc2ccc(Br)cc2CN1
FC[C@H]1Cc2ccc(cc2CN1)C#N
FC[C@H]1Cc2ccc(cc2CN1)S(=O)(=O)N1CCSCC1
FC[C@H]1Cc2ccc(cc2CN1)S(=O)(=O)NCC(F)(F)F
FC[C@H]1Cc2ccc(cc2CN1)S(=O)(=O)NCCC(F)(F)F
FC[C@H]1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
FC[C@H]1Cc2ccccc2CN1
Ic1ccc2CCNCc2c1
N#Cc1cc2CNCCc2s1
N#Cc1ccc2CCNCc2c1
N#Cc1cccc2c3CNCCc3ccc12
NC(=O)C1Cc2ccccc2CN1
NC(=O)c1cc2CNCCc2s1
NC(=O)c1ccc2CCNCc2c1
NC(CC1CCCCC1)c1ccccc1
NC(CCSCC1CC(C(O)C1O)n1cnc2c(N)nccc12)C(O)=O
NC(CCSCC1CC(C(O)C1O)n1cnc2c(N)ncnc12)C(O)=O
NC(CO)CC1CCCCC1
NC(CO)Cc1ccccc1
NC(CO)c1ccccc1
NC(Cc1ccccc1)Cc1ccccc1
NC12CCC(C1)c1c(O)cccc1C2 |TLB:7:6:5:3.2,THB:11:12:5:3.2|
NC12CCC(C1)c1cc(O)ccc1C2 |TLB:7:6:5:3.2,THB:11:12:5:3.2|
NC12CCC(C1)c1ccc(O)cc1C2 |TLB:7:6:5:3.2,THB:11:12:5:3.2|
NC12CCC(C1)c1ccccc1C2 |TLB:7:6:5:3.2,THB:10:11:5:3.2|
NC12CCC(CC1)(CC2)C1CCCCC1
NC12CCC(CC1)(CC2)c1ccccc1
NC1C2CCC1c1c2cccc1C(F)(F)F |TLB:0:1:6.7:4.3,8:7:1:4.3,THB:11:6:1:4.3|
NC1C2CCC1c1cc(ccc21)C(F)(F)F |TLB:7:6:1:4.3,0:1:6.11:4.3|
NC1C2CC[C@H]1c1ccccc21 |TLB:0:1:6.11:3.4,7:6:1:3.4,10:11:1:3.4|
NC1CC2CC1c1ccc(O)cc21 |TLB:7:6:4:1.2,THB:11:12:4:1.2,0:1:6.12:4|
NC1CC2CC1c1cccc(O)c21 |TLB:7:6:4:1.2,THB:10:12:4:1.2,0:1:6.12:4|
NC1CC2CC1c1ccccc21 |TLB:0:1:6.11:4,THB:10:11:4:1.2|
NC1CC2C[C@@H]1c1ccccc21 |TLB:0:1:6.11:4,THB:7:6:4:1.2,10:11:4:1.2|
NC1CCc2c(O)cccc2C1
NC1CCc2cc(O)ccc2C1
NC1CCc2ccc(O)cc2C1
NC1CCc2cccc(O)c2C1
NC1CCc2ccccc2C1
NCC(O)/C1=C/C=C\C=C/C=C\1 |c:6,8,10,t:4|
NCC(O)/C1=C/CCCC/C=C\1 |c:10,t:4|
NCC(O)C12CC3CC(CC(C3)C1)C2 |TLB:7:8:12:5.6.11,THB:7:6:12:13.8.9,9:8:5:12.10.11,9:10:5:13.8.7|
NCC(O)C12CCC(C1)C=C2 |c:10|
NCC(O)C12CCC(CC1)C2
NCC(O)C1=C/CCCCCC\1 |t:4|
NCC(O)C1=C/CC\C=C/CC\1 |c:8,t:4|
NCC(O)C1CC2CC1C=C2 |c:10,TLB:2:4:9.10:7|
NCC(O)C1CC2CCC1C2 |THB:2:4:10:8.7|
NCC(O)C1CCC1
NCC(O)C1CCC=CC1 |c:7|
NCC(O)C1CCCC1
NCC(O)C1CCCCC1
NCC(O)C1CCCCCC1
NCC(O)C1CCCCCCC1
NCC(O)C1CCCCCCCC1
NCC(O)C1CCCCCCCCCC1
NCC(O)[C@@]12CC3C[C@@H](C[C@H](C3)C1)C2 |r,TLB:7:8:11.6.5:12,THB:7:6:13.8.9:12|
NCC(O)c1ccc(Cl)c(Cl)c1
NCC(O)c1cccc(c1)C(F)(F)F
NCC1(O)CCCC1
NCC1(O)CCCCC1
NCC1(O)CCCCCC1
NCC1(O)CCCCCCC1
NCC1(O)CCCCCCCC1
NCC1(O)CCCCCCCCCC1
NCCC1CCCCC1
NCCN1CCc2ccc(Cl)c(Cl)c2C1
NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
NCCc1ccc(Cl)c(Cl)c1
NCCc1ccc(O)cc1
NCCc1cccc(O)c1
NCCc1ccccc1
NCCc1cccs1
NC[C@@]1(O)CCC2CCCCC2C1 |r|
NC[C@]1(O)CCC2CCCCC2C1 |r|
NCc1ccc-2c(Cc3ccccc-23)c1
NCc1ccc2CCNCc2c1
NCc1cccc(Cl)c1
NCc1cccc(Cl)c1Cl
NCc1cccc-2c1Cc1ccccc-21
NCc1cccc2cc(O)ccc12
NCc1cccc2ccccc12
NCc1ccccc1
NCc1ccccc1Cl
NCc1cccs1
NCc1ccsc1
NS(=O)(=O)c1ccc2CC(CF)NCc2c1
NS(=O)(=O)c1ccc2CC(CO)NCc2c1
NS(=O)(=O)c1ccc2CC(NCc2c1)C(F)(F)F
NS(=O)(=O)c1ccc2CC(NCc2c1)C(F)F
NS(=O)(=O)c1ccc2CCCNCc2c1
NS(=O)(=O)c1ccc2CCNCc2c1
NS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1
NS(=O)(=O)c1ccc2C[C@H](NCc2c1)C(F)(F)F
NS(=O)(=O)c1cccc2c3CNCCc3ccc12
N[C@@H](CCN(CC#Cc1cccc(c1)C(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
N[C@@H](CO)CC1CCCCC1 |r|
N[C@@H](CO)Cc1ccccc1 |r|
N[C@@H](CO)c1ccccc1 |r|
N[C@@H]1C2CCC1c1c(C2)cccc1C(F)(F)F |TLB:12:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
N[C@@H]1C2CCC1c1c2cccc1O |TLB:11:6:1:4.3,0:1:7.6:4.3,8:7:1:4.3|
N[C@@H]1C2CCC1c1cc(O)ccc21 |TLB:11:12:1:4.3,7:6:1:4.3,0:1:6.12:4.3|
N[C@@H]1C2CCC1c1cc(ccc1C2)C(F)(F)F |TLB:0:1:6.11.12:4.3,7:6:1:4.3,THB:10:11:1:4.3|
N[C@@H]1C2CCC1c1ccccc1C2 |TLB:0:1:6.11.12:4.3,7:6:1:4.3,THB:10:11:1:4.3|
N[C@@H]1CC2CC1c1c2cccc1C(F)(F)F |TLB:0:1:6.7:4,THB:11:6:4:1.2,8:7:4:1.2|
N[C@@H]1CC2CC1c1c2cccc1O |TLB:0:1:4:6.7,THB:11:6:4:1.2,8:7:4:1.2|
N[C@@H]1CC2CC1c1cc(O)c(O)cc21 |TLB:0:1:6.13:4,THB:7:6:4:1.2,12:13:4:1.2|
N[C@@H]1CC2CC1c1cc(O)ccc21 |TLB:0:1:6.12:4,THB:11:12:4:1.2,7:6:4:1.2|
N[C@@H]1CC2CC1c1cc(ccc21)C(F)(F)F |TLB:0:1:6.11:4,THB:7:6:4:1.2,10:11:4:1.2|
N[C@@H]1CC2CC1c1ccc(O)cc21 |TLB:0:1:6.12:4,THB:7:6:4:1.2,11:12:4:1.2|
N[C@@H]1CC2CC1c1cccc(O)c21 |TLB:0:1:6.12:4,THB:10:12:4:1.2,7:6:4:1.2|
N[C@@H]1CC2CCC1c1ccccc21 |TLB:0:1:7.12:5.4,THB:8:7:1.2:5.4,11:12:1.2:5.4|
N[C@@H]1CC2C[C@@H]1c1ccccc21 |TLB:0:1:6.11:4,THB:7:6:4:1.2,10:11:4:1.2|
N[C@@H]1CCc2ccccc2C1 |r|
N[C@@H]1CCc2ccccc2[C@@H]1O |r|
N[C@H](CO)CC1CCCCC1 |r|
N[C@H](CO)Cc1ccccc1 |r|
N[C@H]1C2CCC1c1c(C2)cccc1C(F)(F)F |TLB:12:6:1:4.3,THB:0:1:6.7.8:4.3,9:7:1:4.3|
N[C@H]1C2CCC1c1c2cccc1C(F)(F)F |THB:11:6:1:4.3,8:7:1:4.3|
N[C@H]1C2CCC1c1c2cccc1O |TLB:0:1:7.6:4.3,THB:11:6:1:4.3|
N[C@H]1C2CCC1c1cc(O)ccc21 |TLB:0:1:6.12:4.3,THB:7:6:1:4.3|
N[C@H]1C2CCC1c1cc(ccc1C2)C(F)(F)F |TLB:7:6:1:4.3,THB:0:1:6.11.12:4.3,10:11:1:4.3|
N[C@H]1C2CCC1c1ccc(cc1C2)C(F)(F)F |TLB:7:6:1:4.3,THB:0:1:11.6.12:4.3,10:11:1:4.3|
N[C@H]1C2CCC1c1cccc(c1C2)C(F)(F)F |TLB:7:6:1:4.3,THB:10:11:1:4.3,0:1:11.6.12:4.3|
N[C@H]1C2CCC1c1ccccc1C2 |TLB:7:6:1:4.3,THB:0:1:6.11.12:4.3,10:11:1:4.3|
N[C@H]1CCc2ccccc2C1 |r|
N[C@H]1CCc2ccccc2[C@@H]1O
Nc1ccc2CCCNCc2c1
Nc1ccc2CCNCc2c1
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)C2Cc3ccc(cc3CN2)[N+]([O-])=O)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)C2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNCC2CNCc3ccccc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNCC2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNCC2Cc3ccc(cc3CN2)[N+]([O-])=O)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNC(=O)C2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNC(=O)C2Cc3ccc(cc3CN2)[N+]([O-])=O)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNC(=O)C2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNCC2CNCc3ccccc23)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNCC2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNCC2Cc3ccc(cc3CN2)[N+]([O-])=O)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|
O=C(c1ccccc1)c1ccc2CCNCc2c1
O=C1CCCC1
O=C1CCCCC1
O=C1CCCCCC1
O=C1CCCCCCC1
O=C1CCCCCCCC1
O=CC12CC3CC(CC(C3)C1)C2 |TLB:1:2:4.5.9:7,THB:3:2:4.5.9:7,3:4:2.11.10:7,10:2:5:8.9.7,10:8:2.11.3:5|
O=CC1CCC1
O=CC1CCCC1
O=CC1CCCCCC1
O=CC1CCCCCCCC1
O=CC1CCCCCCCCCC1
O=S(=O)(c1ccccc1)c1ccc2CCNCc2c1
OC(=O)C1Cc2ccccc2CN1
OC(=O)c1ccc2CCNCc2c1
OC1CNCc2cc(ccc2C1)[N+]([O-])=O
OC1CNCc2ccccc12
OCC1Cc2ccc(Br)cc2CN1
OCC1Cc2ccc(Cl)c(Cl)c2CN1
OCC1Cc2ccc(cc2CN1)S(=O)(=O)N1CCSCC1
OCC1Cc2ccc(cc2CN1)S(=O)(=O)NCC(F)(F)F
OCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCC(F)(F)F
OCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
OCC1Cc2ccc(cc2CN1)[N+]([O-])=O
OCC1Cc2ccccc2CN1
OCCC1Cc2ccc(Br)cc2CN1
OCCC1Cc2ccc(cc2CN1)[N+]([O-])=O
OCCCC1Cc2ccc(Br)cc2CN1
OCCCC1Cc2ccc(cc2CN1)[N+]([O-])=O
OCCCCCCN1CCc2ccc(Cl)c(Cl)c2C1
OC[C@@H]1Cc2ccc(Br)cc2CN1
OC[C@@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
OC[C@@H]1Cc2ccccc2CN1
OC[C@H]1Cc2ccc(Br)cc2CN1
OC[C@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
OC[C@H]1Cc2ccccc2CN1
OCc1ccc2CCNCc2c1
Oc1cc2CCNCc2cc1O
Oc1ccc(NS(=O)(=O)c2ccc3CC(CF)NCc3c2)cc1
Oc1ccc2CCNCc2c1
Oc1ccc2CNCCc2c1
Oc1ccc2c3CNCCc3ccc2c1
Oc1cccc2CCNCc12
Oc1cccc2CNCCc12
Oc1cccc2c3CNCCc3ccc12
S=C=Nc1ccc2CCNCc2c1
[NH3+]Cc1ccc2CCNCc2c1
[O-]C(=O)c1ccc2CCNCc2c1
[O-][N+](=O)C1=CC2CNCCC2S1 |w:10.9,5.5,t:3|
[O-][N+](=O)c1cc2CNCCCc2c(c1)[N+]([O-])=O
[O-][N+](=O)c1cc2CNCCc2c(c1)[N+]([O-])=O
[O-][N+](=O)c1ccc(NS(=O)(=O)c2ccc3CC(CF)NCc3c2)cc1
[O-][N+](=O)c1ccc(NS(=O)(=O)c2ccc3CC(NCc3c2)C(F)(F)F)cc1
[O-][N+](=O)c1ccc(NS(=O)(=O)c2ccc3CC(NCc3c2)C(F)F)cc1
[O-][N+](=O)c1ccc2C(CF)CNCc2c1
[O-][N+](=O)c1ccc2CC(CF)NCc2c1
[O-][N+](=O)c1ccc2CC(F)CNCc2c1
[O-][N+](=O)c1ccc2CC(NCc2c1)C(F)(F)F
[O-][N+](=O)c1ccc2CC(NCc2c1)C(F)F
[O-][N+](=O)c1ccc2CCCCNCc2c1
[O-][N+](=O)c1ccc2CCCNCc2c1
[O-][N+](=O)c1ccc2CCNCc2c1
[O-][N+](=O)c1ccc2C[C@@H](CCl)NCc2c1
[O-][N+](=O)c1ccc2C[C@@H](CF)NCc2c1
[O-][N+](=O)c1ccc2C[C@@H](NCc2c1)C(F)(F)F
[O-][N+](=O)c1ccc2C[C@H](CCl)NCc2c1
[O-][N+](=O)c1ccc2C[C@H](CF)NCc2c1
[O-][N+](=O)c1ccc2C[C@H](NCc2c1)C(F)(F)F
[O-][N+](=O)c1cccc(NS(=O)(=O)c2ccc3CC(CF)NCc3c2)c1
[O-][N+](=O)c1cccc2c3CNCCc3ccc12