260 SMILES Strings for Cocaine esterase

Compound Name
SMILES String
OC(C(=O)c1cccs1)c1cccs1
Brc1csc(c1)C(=O)C(=O)c1cc(Br)cs1
OC(C(=O)c1ccco1)c1ccco1
O=C(C(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1
O=C(C(=O)c1ccccn1)c1ccccn1
O=C(C(=O)c1ccccc1)c1ccccc1
OC(C(=O)c1ccccc1)c1ccccc1
O=C(C(=O)c1ccco1)c1ccco1
O=C(C(=O)c1ccsc1)c1ccsc1
O=C(C(=O)c1cccs1)c1cccs1
Brc1ccc(s1)C(=O)C(=O)c1ccc(Br)s1
CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
CCCC(CCC)C(=O)O
Fc1cc(F)cc(c1)C(=O)C(=O)c1cc(F)cc(F)c1
OC(C(=O)c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F
Fc1ccc(cc1)C(=O)C(=O)c1ccc(F)cc1
OC(C(=O)c1ccccc1F)c1ccccc1F
OC(C(=O)c1cccc(F)c1F)c1cccc(F)c1F
FC(F)(F)c1cccc(c1)C(=O)C(=O)c1cccc(c1)C(F)(F)F
OC(C(=O)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1
Fc1cc(F)c(F)c(c1)C(=O)C(=O)c1c(F)ccc(F)c1F
OC(C(=O)c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1
FC(F)(F)c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)C(F)(F)F
Fc1ccc(C(=O)C(=O)c2ccc(F)c(F)c2F)c(F)c1F
OC(C(=O)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
Fc1cccc(c1)C(=O)C(=O)c1cccc(F)c1
Fc1ccc(C(=O)C(=O)c2ccc(F)cc2F)c(F)c1
Fc1ccccc1C(=O)C(=O)c1ccccc1F
Fc1cccc(C(=O)C(=O)c2cccc(F)c2F)c1F
Fc1ccc(cc1F)C(=O)C(=O)c1ccc(F)c(F)c1
Fc1cc(cc(F)c1F)C(=O)C(=O)c1cc(F)c(F)c(F)c1
OC(C(=O)c1ccc(F)c(F)c1F)c1ccc(F)c(F)c1F
OC(C(=O)c1cc(F)ccc1F)c1cc(F)ccc1F
FC(F)(F)c1ccc(c(c1)C(=O)C(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F)C(F)(F)F
Fc1ccc(F)c(c1)C(=O)C(=O)c1cc(F)ccc1F
Fc1cc(F)c(F)c(c1)C(=O)C(=O)c1cc(F)cc(F)c1F
OC(C(=O)c1ccc(F)cc1F)c1ccc(F)cc1F
FC(F)(F)c1ccc(C(=O)C(=O)c2ccc(cc2C(F)(F)F)C(F)(F)F)c(c1)C(F)(F)F
OC(C(=O)c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
OC(C(=O)c1cc(F)cc(F)c1F)c1cc(F)cc(F)c1F
Fc1cccc(F)c1C(=O)C(=O)c1c(F)cccc1F
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
OC(C(=O)c1c(F)cccc1F)c1c(F)cccc1F
OC(C(=O)c1ccc(F)cc1)c1ccc(F)cc1
OC(C(=O)c1cccc(F)c1)c1cccc(F)c1
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)OCC)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(CCC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@H](O)C(C)=C)[C@@]1(C)CCC(=O)C2(C)C |r,t:10|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(C=C[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r,c:13,t:11|
[H][C@@]1(CC[C@@]2(C)C1=CC=C1[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@]21C)[C@H](C)CC[C@H](O)C(C)(C)O |r,t:7,9|
[H][C@]12C[C@@]3(C)C(C=C[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)CC(=O)[C@H](O2)C(C)(C)O |r,c:6,27|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)[C@@]1(C)CC(=O)C=C2C |r,c:36,t:11|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(C=CC4=C(C(C)=O)C(=O)C[C@]34C)[C@@]1(C)CCC(=O)C2(C)C |r,c:8,10|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@H](OC(C)=O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(C=CC4=C([C@H](C)C[C@H](O)[C@H](O)C(C)(C)O)C(=O)C[C@]34C)[C@@]1(C)CCC(=O)C2(C)C |r,c:8,10|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(CCC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r,t:10|
[H][C@]12CCC3C(C)(C)C(=O)CC[C@]3(C)[C@]1([H])[C@@H](O)CC1=C(CC[C@]21C)[C@H](C)C[C@](O)(CC(O)=O)C1OC1(C)C |r,t:21|
[H][C@]12C[C@@]3(C)C(C[C@H](O)[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@H](OC(C)=O)[C@H](O2)C(C)(C)O |r,c:28|
[H][C@]12C[C@@]3(C)C(C=C[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@]([H])(O2)[C@@H](O)C(C)(C)O |r,c:6,27|
[H][C@]12C[C@@]3(C)C(C=C[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@]([H])(O2)[C@@H](OC(C)=O)C(C)(C)O |r,c:6,27|
[H][C@]12C[C@@]3(C)C(C[C@H](O)[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@]([H])(O2)[C@@H](O)C(C)=C |r,c:28|
[H][C@@]12CC3=C(CC[C@]3(C)[C@@]3(C)CC[C@@]([H])(C(C)(C)C(O)=O)[C@](C)(CC(=O)O1)[C@]23[H])[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O |r,t:3|
c1cc(ccc1[N+](=O)[O-])OP(=O)(O)Oc2ccc(cc2)[N+](=O)[O-]
[H][C@@]1(OC1(C)C)[C@@H](O)C[C@](C)(O)C1=C2C[C@H](O)[C@@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@]3(C)[C@@]2(C)CC1=O |r,c:13|
[H][C@@]12CC(=O)[C@@]3(C)[C@@]([H])(C=CC4=C([C@H](C)C[C@H](O)[C@H](O)C(C)(C)O)C(=O)C[C@]34C)[C@@]1(C)CCC(=O)C2(C)C |r,c:9,11|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(C=CC4=C([C@H](C)C[C@H](OC(C)=O)[C@H](O)C(C)(C)O)C(=O)C[C@]34C)[C@@]1(C)CCC(=O)C2(C)C |r,c:8,10|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(C=CC4=C([C@H](C)C[C@H](O)[C@H](O)C(C)=C)C(=O)C[C@]34C)[C@@]1(C)CCC(=O)C2(C)C |r,c:8,10|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(C=CC4=C([C@H](C)CC(=O)[C@H](O)C(C)(C)O)C(=O)C[C@]34C)[C@@]1(C)CCC(=O)C2(C)C |r,c:8,10|
[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC |r,t:15|
[#6]-[#8]-c1cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2cc1-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8])cc1
[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC |r,t:15|
[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC |r,t:15|
[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCN(C)C |r,t:15|
[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C#N |r,t:15|
[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(N)=O |r,t:15|
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:18|
[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(N)=O |r,t:15|
[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCCN(C)C |r,t:15|
[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC |r,t:15|
[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15|
[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
CC1(C)[C@@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O |r,t:11|
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:18|
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
O=C(Nc1ccccc1)C(=O)Nc1ccccc1
O=C(Sc1ccccc1)C(=O)Sc1ccccc1
O=C(Oc1ccccc1)C(=O)Oc1ccccc1
O=C(Cc1ccccc1)C(=O)Cc1ccccc1
BrC(C(=O)C(=O)C(Br)c1ccccc1)c1ccccc1
BrC(C(=O)C(=O)Cc1ccccc1)c1ccccc1
CCCCC(=O)C(=O)CCCC
CCCCCC(=O)C(=O)CCCCC
CCCCCCC(=O)C(=O)CCCCCC
CCCCCCCC(=O)C(=O)CCCCCCC
CCCCCCCCC(=O)C(=O)CCCCCCCC
CCC(=O)C(=O)c1ccccc1
CCCC(=O)C(=O)c1ccccc1
CCCCC(=O)C(=O)c1ccccc1
CCCCCC(=O)C(=O)c1ccccc1
CCCCCCC(=O)C(=O)c1ccccc1
CC(=O)C(=O)C
CCC(=O)C(=O)CC
CCCC(=O)C(=O)CCC
O=C(C1CCCCC1)C(=O)C1CCCCC1
CC(=O)C(=O)c1ccccc1
Cc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6|
Ic1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6|
O=C1C=C(Oc2ccccc2)c2ccccc2C1=O |t:2|
COc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1 |t:7|
Fc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6|
Clc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6|
Brc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6|
CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(Br)cc1 |t:2|
CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(I)cc1 |t:2|
CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O |c:5|
CCCCCCCCCCC(=O)C(F)(F)F
CCCCCCCCS(=O)(=O)CC(=O)C(F)(F)F
CCCCCCCCSCC(=O)C(F)(F)F
CCCCCCCCS(=O)CC(=O)C(F)(F)F
Oc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1 |r|
CCCCCCCC(F)(F)C(=O)C(F)(F)F
CCCCCC[Se](=O)(=O)CC(=O)C(F)(F)F
CCCCCCCCC(=O)C(F)F
CCCCCC[Se]CC(=O)C(F)(F)F
CCCCCCOCC(C)=O
CCCCCC[Se](=O)CC(C)=O
CCCCCCS(=O)(=O)CC(C)=O
CCCCCCCCC(=O)CF
CCCCCCOCC(=O)C(F)(F)F
CCCCCCC#CC(=O)C(F)(F)F
CCCCCCCCC(C)=O
CCCCCC[Se](=O)(=O)CC(C)=O
CCCCCC[Se](=O)CC(=O)C(F)(F)F
CCCCCCS(=O)(=O)CC(=O)C(F)(F)F
CCCCCCSCC(C)=O
CCCCCCC=CC(=O)C(F)(F)F |w:6.5|
CCCCCCNCC(=O)C(F)(F)F
CCCCCCSCC(=O)C(F)(F)F
CCCCCCS(=O)CC(=O)C(F)(F)F
CCCCCC[Se]CC(C)=O
CCCCCCCCC(=O)C(F)(F)F
CCCCCCCCC(=O)c1cccc(O)c1-c1cc2c(cccc2o1)C(=O)CCCCCCCC
CCCCCCCC[C@@H]1OC(=O)c2c1cccc2O |r|
CN(C)C(=O)C(CCN1CCC(CC1)(c2ccc(cc2)Cl)O)(c3ccccc3)c4ccccc4
Cc1c2c(oc1S([O-])(=O)=O)-c1ccc3c(CCCC3(C)C)c1C(=O)C2=O
CCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O |t:3|
Cc1cccc2c1ccc3c2C(=O)C(=O)C4=C3OC[C@@H]4C
Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12
Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21
Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
O=C1N(c2ccccc2C1=O)c1ccccc1
O=C1C(=O)c2ccccc2-c2ccccc12
O=c1c2cccc3cccc(c23)c1=O
FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C(=O)OCc2ccccc2)cc1 |r,wU:16.19,wD:13.12,(30.34,-3.34,;30.34,-4.74,;31.59,-3.72,;29.09,-3.72,;30.34,-6.28,;31.68,-7.05,;31.67,-8.59,;33.01,-9.36,;34.35,-8.59,;35.68,-9.36,;37.01,-8.59,;37.01,-7.05,;38.35,-9.35,;39.68,-8.58,;41.01,-9.36,;42.34,-8.59,;42.34,-7.05,;41.01,-6.28,;39.67,-7.05,;43.68,-6.28,;45.01,-7.06,;45,-8.6,;46.33,-9.37,;47.67,-8.6,;47.67,-7.05,;46.34,-6.29,;49,-9.37,;49,-10.91,;50.34,-8.6,;51.67,-9.38,;53,-8.61,;54.33,-9.38,;55.67,-8.61,;55.67,-7.07,;54.33,-6.3,;53,-7.07,;34.34,-7.04,;33.01,-6.28,)|
Oc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:6.5,wD:9.12,(74.54,-31.49,;73.21,-30.71,;71.87,-31.48,;70.54,-30.71,;70.55,-29.17,;69.22,-28.4,;67.88,-29.16,;67.88,-30.7,;66.55,-31.47,;65.22,-30.69,;65.21,-29.16,;66.55,-28.39,;63.89,-31.47,;62.55,-30.7,;62.55,-29.16,;61.22,-31.47,;59.89,-30.7,;58.55,-31.47,;57.22,-30.7,;57.22,-29.16,;55.88,-28.39,;55.88,-26.85,;55.88,-25.45,;57.13,-25.83,;54.63,-25.83,;58.55,-28.39,;59.88,-29.15,;71.88,-28.4,;73.21,-29.17,)|
c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F
COc1ccc2c(C(=O)O[C@]2(C)c2nccc3cc(OC)c(OC)cc23)c1OC |r|
COc1ccc2c(C(=O)O[C@@]2(C)c2nccc3cc(OC)c(OC)cc23)c1OC |r|
COc1ccc([C@H](C)c2nccc3cc(OC)c(OC)cc23)c(O)c1OC |r|
COc1ccc([C@@H](C)c2nccc3cc(OC)c(OC)cc23)c(O)c1OC |r|
COc1cc2CCN=C([C@@H](C)c3ccc(OC)c(OC)c3O)c2cc1OC |r,t:7|
COc1cc2CCN=C([C@H](C)c3ccc(OC)c(OC)c3O)c2cc1OC |r,t:7|
COc1ccc(c(O)c1OC)[C@@](C)(OC)C1=NCCc2cc(OC)c(OC)cc12 |r,t:16|
COc1ccc(c(O)c1OC)[C@](C)(OC)C1=NCCc2cc(OC)c(OC)cc12 |r,t:16|
COc1ccc2c(C[n+]3ccc4cc(OC)c(OC)cc4c3[C@@]2(C)O)c1OC
COc1ccc2c(C[n+]3ccc4cc(OC)c(OC)cc4c3[C@]2(C)O)c1OC
CN(C1CCCCC1)C(=O)n1cnc(c1)-c1ccc[n+]([O-])c1
O=C(N\N=C\c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1
O=C(N\N=C\c1ccc2[nH]ccc2c1)c1nc2ccccc2[nH]1
Fc1cccc(COc2ccc(\C=N\NC(=O)c3nc4ccccc4[nH]3)cc2)c1
[H][C@]12CCC(=C[C@@]1([H])[C@H](CC[C@@H]2C)C(=C)CO)C(O)=O |r,c:4|
[H][C@]12CCC(=C[C@]1([H])[C@H](CC[C@@H]2C)C(C)=C)C(O)=O |r,c:4|
[H][C@@]12C[C@@]([H])(C(=O)C[C@H]1C(OC)OC)C2(C)C |r|
[H][C@@]12C[C@@]([H])(C(=O)C[C@@H]1COC(=O)c1ccccc1)[C@@]2(C)CO |r|
CC(C)(O)[C@H]1CCC(COC(=O)c2ccccc2)=CC1 |r,c:18|
CC(C)(O)[C@H]1CCC(CO)=CC1 |r,c:9|
CC(C)(O)[C@H]1CCC(=CC1)C(O)=O |r,c:7|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@]4([H])OC(C)(C)OC[C@@]4(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r|
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 |r|
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:11|
[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)[C@]1(C)COC(C)(C)O2 |r,t:16|
C[C@@]1(CO)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(=C)CC[C@@]3(CC[C@@]12C)C(O)=O |r,t:19|
[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(=C)CC[C@@]5(CC[C@@]43C)C(O)=O)[C@]1(C)COC(C)(C)O2 |r,t:16|
Oc1ccc(\C=C2/Cc3ccc(O)cc3C2=O)cc1
COc1ccc(\C=C2/Cc3ccc(O)cc3C2=O)cc1
CCOc1ccc(\C=C2/Cc3ccc(O)cc3C2=O)cc1
COc1ccc(\C=C2/Cc3ccc(O)cc3C2=O)c(OC)c1OC
COc1cc(O)ccc1\C=C1/Cc2ccc(O)cc2C1=O
Oc1ccc2C\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
COc1cc(\C=C2/Cc3ccc(O)cc3C2=O)ccc1O
COc1cc(\C=C2/Cc3ccccc3C2=O)ccc1O
COc1cc(\C=C2/Cc3ccc(N)cc3C2=O)ccc1O
COc1ccc2C\C(=C/c3ccc(O)c(OC)c3)C(=O)c2c1
CCCOc1ccc2C\C(=C/c3ccc(O)c(OC)c3)C(=O)c2c1
COc1cc(\C=C2/Cc3ccc(OC(C)C)cc3C2=O)ccc1O
COc1cc(\C=C2/Cc3ccc(cc3C2=O)N2CCCCC2)ccc1O
COc1cc(\C=C2/Cc3ccc(cc3C2=O)N2CCCC2)ccc1O
COc1cc(\C=C2/Cc3ccc(cc3C2=O)N2CCCCCC2)ccc1O
CCN(CC)c1ccc2C\C(=C/c3ccc(O)c(OC)c3)C(=O)c2c1
COc1cc(\C=C2/Cc3ccc(NC(C)=O)cc3C2=O)ccc1O
CCOC(=O)C(=N/Nc1ccccc1)\C(=O)C(F)(F)F
CCOC(=O)C(=N/Nc1ccc(C)cc1)\C(=O)C(F)(F)F
CCOC(=O)C(=N/Nc1cccc(C)c1)\C(=O)C(F)(F)F
CCOC(=O)C(=N/Nc1ccc(OC)cc1)\C(=O)C(F)(F)F
CCOC(=O)C(=N/Nc1ccccc1[N+]([O-])=O)\C(=O)C(F)(F)F
CCOC(=O)C(=N/Nc1ccc(F)cc1)\C(=O)C(F)(F)F
CCOC(=O)C(=N/Nc1ccc(Br)cc1)\C(=O)C(F)(F)F
COC(=O)C(=N/Nc1ccccc1)\C(=O)C(F)(F)F
COC(=O)C(=N/Nc1ccc(C)cc1)\C(=O)C(F)(F)F
COC(=O)C(=N/Nc1ccc(OC)cc1)\C(=O)C(F)(F)F
COC(=O)C(=N/Nc1ccccc1[N+]([O-])=O)\C(=O)C(F)(F)F
CCOC(=O)C(=N/Nc1ccc(C)cc1)\C(=O)C(F)(F)C(F)(F)F
COC(=O)C(=N/Nc1ccc(OC)cc1)\C(=O)C(F)(F)C(F)(F)C(F)(F)F
O=C1C(Cc2ccccc2)C(=NN1c1ccccc1)c1ccccc1 |c:11|
Cc1ccc(CC2C(=O)N(N=C2c2ccccc2)c2ccccc2)cc1 |c:10|
Cc1cccc(CC2C(=O)N(N=C2c2ccccc2)c2ccccc2)c1 |c:11|
Cc1ccccc1CC1C(=O)N(N=C1c1ccccc1)c1ccccc1 |c:13|
COc1ccc(CC2C(=O)N(N=C2c2ccccc2)c2ccccc2)cc1 |c:11|
Fc1ccc(CC2C(=O)N(N=C2c2ccccc2)c2ccccc2)cc1 |c:10|
Brc1ccc(CC2C(=O)N(N=C2c2ccccc2)c2ccccc2)cc1 |c:10|
Clc1ccccc1CC1C(=O)N(N=C1c1ccccc1)c1ccccc1 |c:13|
FC(F)(F)c1ccc(CC2C(=O)N(N=C2c2ccccc2)c2ccccc2)cc1 |c:13|
FC(F)(F)c1cc(CC2C(=O)N(N=C2c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F |c:12|
[O-][N+](=O)c1ccccc1CC1C(=O)N(N=C1c1ccccc1)c1ccccc1 |c:15|
O=C1C(Cc2cccc3ccccc23)C(=NN1c1ccccc1)c1ccccc1 |c:16|
CCC1C(=O)N(N=C1c1ccccc1)c1ccccc1 |c:6|
C=CCC1C(=O)N(N=C1c1ccccc1)c1ccccc1 |c:7|
COc1ccc(cc1)C1=NN(C(=O)C1Cc1ccccc1)c1ccccc1 |t:9|
Brc1ccc(cc1)C1=NN(C(=O)C1Cc1ccccc1)c1ccccc1 |t:8|
Fc1ccccc1CC1=NN(C(=O)C1Cc1ccccc1)c1ccccc1 |t:9|
Cc1ccc(cc1)C1=NN(C(=O)C1Cc1ccccc1)c1ccccc1 |t:8|
Cc1cccc(c1)C1=NN(C(=O)C1Cc1ccccc1)c1ccccc1 |t:8|
O=C1C(Cc2ccccc2)C(=NN1c1ccccc1)c1cccs1 |c:11|
CC1=NN(C(=O)C1Cc1ccccc1)c1ccccc1 |t:1|
CC1=NN(C(=O)C1Cc1ccccc1C)c1ccccc1 |t:1|
CC1=NN(C(=O)C1Cc1ccccc1Cl)c1ccccc1 |t:1|
CCC1=NN(C(=O)C1Cc1ccccc1)c1ccccc1 |t:2|
CN1N=C(C(Cc2ccccc2)C1=O)c1ccccc1 |c:2|
O=C1C(Cc2ccccc2)C(=NN1C1CCCCC1)c1ccccc1 |c:11|
Cc1ccc(CC2C(=O)N(N=C2c2ccc(C)cc2)C2CCCCC2)cc1 |c:10|
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COP(O)(O)=O
COc1ccc(CCNC(=O)CCCCn2c(=O)c3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc1OC
COc1ccc(-c2nc(-c3nnn(Cc4cccc(F)c4)c3C)no2)cc1OC
COc1ccc(-c2nc(-c3nnn(Cc4cccc(F)c4)c3C)no2)cc1
CCn1cc(-c2nc(C)c(C(=O)N3CCCCCC3)s2)c2cccnc21
O=C(CSc1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccc(F)cc1F
COc1cc2c(cc1OC)C(C)N(C(=O)c1cc3c(s1)-c1ccccc1S(=O)(=O)C3)CC2
Cc1ccc(Nc2nc(C(=O)NCc3ccccc3)cc3occc23)cc1
COc1ccc2c(C)c(C(=O)N3CCCCC3)sc2c1
CCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCC4(CC3)OCCO4)c2c1
Cc1ccccc1-c1nc(CN(C)C(=O)Nc2cccc(C)c2C)c(C)o1
Cc1cc(Nc2ccc(C(=O)N3CCCCC3)cc2)n2nc(-c3cccnc3)nc2n1
Cc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(-c2ccc(F)cc2)n1
Cc1ccc(CN2Cc3cc4ccc(C)c(C)c4nc3OC2=O)o1
COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC(C)CC3)c2c1
COc1cccc(CN2CC=CCC(C3CCN(c4nc(C)cc(C)n4)CC3)C2=O)c1
CC(C)c1ccccc1OC(=O)NCCc1ccc2ccccc2c1
CC(C)CN1C(=O)CCc2cc(NC(=O)Cc3cccc(F)c3)ccc21