formula
stringlengths 2
21
| smiles
stringlengths 4
474
| label
int64 0
1
|
|---|---|---|
C19H23NO5
|
CN[C@@H]1CSS[C@@H]2CSS[C@H](CNC3CCCC3)[C@@H]3C[C@@H]4[C@H]5C[C@H]1[C@@H](O)[C@@]1(CC[C@H]6C[C@@H]7CC[C@@H]8C2C2=CC(O)=CC=C2[C@@]61[C@H]78)[C@@H]5O[C@H]1[C@H](C(=O)OC2=C(CO)NC5=CC=C6C=C7C=CC=CC7=CC6=C25)O[C@@](O)([C@H]3O)[C@@]41O
| 0
|
C18H27NO5
|
O=C(O)C1=C/C(=C\C=[N+]2\C3=CC(O)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3C[C@@H]2C(=O)[O-])C[C@@H](C(=O)O)N1
| 0
|
C36H51NO6
|
C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](OC(C)=O)C4C(C)(C)CC[C@H]5OC(C)=O)[C@]3(C2)[C@@H]1O
| 0
|
C56H108O6
|
CC(C)C1=NC2=C(C(=O)CC(C)(C)C2)C2=C1NC1=CC=CC=C12
| 0
|
C12H14O4
|
CCCC1=CC2=C(COC2=O)C(O)=C1CO
| 1
|
C61H116O6
|
CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@H]4CC(=O)[C@]23C)C1
| 0
|
C29H35N3O5
|
CCCOC1=CC=C(C2CN3C(=O)CN(CCCOC)C(=O)[C@]3(C)C3=C2C2=CC=CC=C2N3)C=C1OC
| 1
|
C30H33N5O4
|
CC(O)C(O)/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12
| 0
|
C26H31ClO6
|
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
| 0
|
C19H20N2O
|
CC1=NC(C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2CO)=CC2=C1NC1=CC=CC=C12
| 0
|
C38H38O16
|
CC(=O)OC[C@]12OC3=C(C4=CC=C(O)C5=C4O[C@@]4(COC(C)=O)C(=C5O)C(=O)C[C@@H](C)[C@H]4OC(C)=O)C=CC(O)=C3C(O)=C1C(=O)C[C@@H](C)[C@H]2OC(C)=O
| 1
|
C14H18N4O2
|
COC1=CC=C(CNC[C@H]2CN3C=CN=C3CO2)C=N1
| 1
|
C20H28O7
|
CC1=C(Br)C=C([C@]2(C)CC[C@@H]3C[C@@]32C)C(O)=C1C1=C(C)C(Br)=CC([C@@]2(C)CC[C@H]3C[C@]32C)=C1O
| 0
|
C44H84O6
|
O=C1C2=CC=CC=C2C(=O)C1C1=CC=CC=C1
| 0
|
C25H22O7
|
CC1(C)CC=C[C@]2(C)OC3=C(O)C=C4OC5=C(OC6=CC(O)=CC(O)=C6C5=O)C4=C3C[C@@H]12
| 1
|
C17H26O2
|
CC(C)C[C@@H](C)[C@@H](O)[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)[C@@H](O)[C@@H](O)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)[C@@H](C)O)[C@@H](C)CC(N)=O
| 0
|
C21H19NO8
|
O=C(NCC1=NOC([C@@H]2CCC(=O)N2CC2=CC=CC=C2)=N1)C1=CN=CN=C1
| 0
|
C15H22O5
|
CC1=C2CC[C@](C)(O)[C@H](O)[C@H]2O[C@]12OC(C)(C)CC2=O
| 1
|
C20H30O4
|
CC[C@H](O)CC(=O)[C@H](C)[C@@H](O)[C@@H](C)C1=CC=C(C)C=C1/C=C/CO
| 1
|
C22H23NO4
|
COC1=CC=C(C2=CC3=CC=C(O)C(CN4CCCCC4)=C3OC2=O)C=C1
| 1
|
C10H15NO2
|
CNCCC1=CC=C(O)C(OC)=C1
| 1
|
C16H17NO5
|
C[C@@H](NCC1=C(O)C=CC2=C1OC(=O)C1=C2CCC1)C(=O)O
| 1
|
C6H11NO4
|
N[C@H](CCCC(=O)O)C(=O)O
| 1
|
C32H46O8
|
C[C@]12CC[C@H](OC(=O)CCCCCCC(=O)O)C[C@@]1(O)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=COC(=O)C=C3)CC[C@]12O
| 1
|
C29H42O4
|
C=C(CC[C@@H](C)[C@H]1CCC2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)C1CC3)C(C)C(=O)O
| 1
|
C6H12O6S6
|
O=S(=O)(O)C[C@H]1CSSC[C@H](CS(=O)(=O)O)SS1
| 1
|
C20H24N4O
|
CC1=CC=CC=C1CN1CCN2C(=O)N(CC3=CC=CC=N3)C[C@H]2C1
| 1
|
C16H21N3O4S
|
CC(=O)OC[C@H]1O[C@@H](OCCC2=CC=C(OC(C)=O)C(OC(C)=O)=C2)[C@H](OC(C)=O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H]1OC(=O)/C=C/C1=CC=C(OC(C)=O)C(OC(C)=O)=C1
| 0
|
C16H17N5O3S
|
COC1=CC=C(C)C=C1NC(=O)CSC1=NC2=C(N=CNC2=O)N1C
| 1
|
C59H114O6
|
CNC(=N)N[C@@H](O)[C@H]1CC[C@@H]([C@@]2(C)C[C@@H]3/C(=C/CO)C[C@@]4(CC[C@@H](CC[C@@]5(O)CCC[C@H](O)C5)C4)[C@@H]4O[C@]4(C)CC[C@H]32)C1
| 0
|
C33H59N7O11
|
CCCCCCCCCCCCC(=O)N[C@@H](CCCN(O)C=O)C(=O)N[C@@H](CO)C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C=O)NC1=O
| 1
|
C30H34O16
|
O=C(/C=C/C1=CC=C(O)C(O)=C1)OC[C@H]1O[C@@H](OC2=CC=C(/C=C/C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
| 1
|
C21H34O3
|
CC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C
| 0
|
C24H39NO7
|
CC1=C(C)C2=CC=C(OCC(=O)NCC3=NN=C4C=CC=CN34)C=C2OC1=O
| 0
|
C15H17NO4
|
O=C(O)[C@H]1O[C@@H](OC2=CC3=C(C(O)=C2O)C(=O)C2=C(O3)C3=CC=C(O)C=C3CC2)[C@H](O)C(O)(O)[C@@H]1O
| 0
|
C8H17NO3
|
O=C(C[C@@H]1C(C(=O)OCCC2=CC=C(O)C=C2)=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C1=C\CO)OCCC1=CC=C(O)C(O)=C1
| 0
|
C24H28N4O3
|
O=C(C[C@@H]1CCNC[C@@H]1CC1=NOC(COC2=CC=CC=C2)=C1)NCC1=CC=CN=C1
| 1
|
C17H19N3O5
|
CC(=O)O[C@@H]1[C@@H](O)[C@@H](OC(C)=O)[C@H](O[C@H]2[C@@H](O)[C@]3(C)CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@]54C)[C@@H]3C[C@]2(C)CO)O[C@H]1C
| 0
|
C29H44O5
|
CC(=O)O[C@H]1CC[C@]2(C)C(=O)C([C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC=O)=C[C@@H]3O[C@@]32C1
| 1
|
C27H38O3
|
CC(C)=CCC[C@](C)(O)/C=C/C/C(C)=C/CC[C@@]1(C)C=CC2=CC(O)=CC(C)=C2O1
| 1
|
C22H30O8
|
COC1=C(O)C(OC)=CC(C[C@H](CO)[C@@H](CO)CC2=CC(OC)=C(O)C(OC)=C2)=C1
| 1
|
C45H74O18
|
C[C@@H](CC[C@@]1(O)OC2CC3C4C[C@H](O[C@H]5O[C@H](C)[C@H](O)[C@@H](O[C@@H]6O[C@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5CC(=O)CC[C@]5(C)C4CC[C@]3(C)C2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O
| 1
|
C10H20O3
|
C[C@@H]1CC[C@@H]([C@](C)(O)CO)C[C@@H]1O
| 1
|
C19H24O6
|
C=C(C)C(=O)O[C@H]1CC(CO)=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21
| 1
|
C53H63N7O14
|
NC1=CC(CCO[C@@H]2[C@H]3OC4=C(C=C5C(=O)C6=CC=C(CO)C=C6C(=O)C5=C4OC[C@H](O)CC=O)[C@H](C4=CC=CC=C4N4CN[C@H]5C(=O)N[C@H](N)N[C@@H]54)[C@H](CCCO)COC4(CCCC4)[C@H](O3)[C@H](O)[C@H]2O)=CC=N1
| 1
|
C25H32N2O6
|
CC1(C)CCC2=C(C=C(OCC(=O)N3CCN(CCO)CC3)C3=C2OC(=O)C2=C3CCC2)O1
| 1
|
C17H18O4
|
COC1=CC(C(C)C)=C2C=C(C)C(OC)=C3OC(=O)C1=C32
| 1
|
C35H68O5
|
COC1=CC=C2C(=C1O)N1C(=O)CC=C3[C@H]4C[C@@H]5N(CC[C@]25[C@@H]31)C/C4=C\CO
| 0
|
C86H143O9P
|
COC(=O)C1=CC=CC(C(=O)N2C[C@@H]3C[C@@H](O)CN3C3(C2)CN(C2CCCCC2)C3)=C1
| 0
|
C20H30O2
|
CC(C)=C1C(=O)C[C@]2(C)C/C=C(\C)CC[C@@H]3O[C@@]3(C)CC[C@@H]12
| 1
|
C30H42N2O3S
|
COC1=CC(OC)=C2C(O)=C3C(=O)C=C(C)OC3=C(C3=C(OC)C=C(OC)C4=C(O)C5=C(C=C34)O[C@](C)(O)CC5=O)C2=C1
| 0
|
C19H19NO4
|
C=CC[C@H]1N(C2=CC=CC=C2C)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3
| 1
|
C19H23N3O3
|
C=CC(C)(C)[C@@]12NC3=CC=CC=C3[C@]1(O)C[C@H]1C(=O)N[C@@H](C)C(=O)N12
| 1
|
C20H20O4
|
CC1=C(C)C2=CC(Cl)=C(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C=C2OC1=O
| 0
|
C43H66O15
|
C=C(CC/C=C(/C)CO)[C@@H]1CC[C@@](C)(O)[C@H]1C
| 0
|
C24H28N2O2
|
OC[C@H]1O[C@@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
| 0
|
C82H101N5O8
|
CCCNCC1=CC2=CC(=C1)CCNCC1=CC=CC(=C1)C1=CC=C(O)C=C1C1=C3C(=O)O/C(=C\[C@H](CC)CC4=CC=CC=C4)[C@@]34CC[C@@H]1[C@@H]1CCC3=C(C(=O)O/C3=C\C[C@]3([C@@H]5CCN[C@H](NC)C5)C[C@@H]5C[C@@H](C6(O)CCCCC6)C#C[C@@H](CC=O)[C@](C)(O)CN[C@H]2[C@H]5C3)[C@@H]14
| 1
|
C22H30N4O4
|
O=C(N1CCOCC1)N1CCN2[C@H](C1)C(=O)N(CC1=CC=CC=C1)C21CCOCC1
| 1
|
C53H90O21
|
CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C
| 0
|
C22H33NO5
|
CCN1C[C@]2(C)CC[C@H](OC)[C@]34C1[C@H]([C@@H](O)C23)[C@@]1(O)CC[C@H]2C[C@@H]4C1C(=O)O2
| 1
|
C51H98O6
|
CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCC
| 0
|
C57H94O26
|
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C1CC[C@]2(C)[C@@H]1[C@H](O)CC1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)C3CC[C@]12C
| 1
|
C22H26O6
|
COC1=CC=C(C[C@@H](CC2=CC=C3OCOC3=C2)NC(=O)NCC2=CC=CC(OC)=C2)C=C1
| 0
|
C27H23NO4
|
COC1=CC=CC(N2C(C3=CC=CC(OC)=C3CO)=C3C(=O)C=CC4=CC(C)=CC2=C43)=C1
| 1
|
C18H22O5
|
COC1=CC=C(C(=O)O)C=C1C[C@@H]1C(C)(C)C(=O)C=C[C@@]1(C)O
| 1
|
C35H46O12
|
CC[C@@H](C)C(=O)O[C@H]1OC[C@]23[C@@H]4C(=O)C[C@]5(C)[C@H](C6=COC=C6)C(=O)C[C@@H]5[C@@]4(C)[C@H](O)C[C@H]2[C@@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3O
| 1
|
C17H19N3O5S
|
CO[C@@]12C3=C(C)C=C(O)C4=C3C3=C(O[C@](C)(O)C[C@H]3OC4=O)[C@@H]1[C@]13COC(=O)C4=C(O)C=C(C)C(=C41)C(=O)[C@H]2[C@@H]3OC(C)=O
| 0
|
C58H112O6
|
COC1=CC(C[C@@H]2[C@@H]([C@@H](O)C3=CC=C(O)C(OC)=C3)CO[C@H]2O)=CC=C1O
| 0
|
C19H13BrO7
|
CC(=O)OC1=CC(OC(C)=O)=C2C(=O)C(OC3=CC=C(Br)C=C3)=COC2=C1
| 1
|
C20H26O5
|
C=C1C(=O)O[C@H]2C(=O)C(C)=CCC[C@](C)(O)/C=C/C[C@@]3(C)O[C@@H]3C[C@@H]12
| 1
|
C46H88O6
|
CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
| 1
|
C15H17N5O3
|
CO[C@@H]1[C@H](O)[C@@H](C)O[C@@H](OC[C@H]2/C=C/CCC(=O)[C@H](C)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@](O)([C@H](C)O)[C@H]3O)[C@@H](C)/C=C/C(=O)O[C@@H]2C)[C@@H]1OC
| 0
|
C61H77N7O6
|
C[C@]12C[C@H](N[C@@H](N)C1)C1(CCCC1)C1=CC=CC(=C1)[C@H]1C3=C4C(=CC3)[C@H]3CC[C@H]5C6=C(C=CN6)[C@@H]([C@H](O)[C@]35C[C@@H]4[C@]34C=C[C@@H]5CN6[C@@H]([C@@H](N7C=CN=C7)C[C@H]7OCCC[C@@H]76)[C@H](CC3)[C@]5(O)[C@H]14)[C@@](O)(CC(=O)O)CN2
| 1
|
C22H27ClN2O6
|
COC1=CC=CC=C1C1=CC=NC(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NS(=O)(=O)C2=CC=C3C=CC=CC3=C2)=N1
| 0
|
C24H35N5O2
|
CCNC(=O)N[C@H]1C[C@@H](CC2=NOC(CN3CCN(C4=CC=CC=C4)CC3)=C2)C1(C)C
| 1
|
C23H29N3O5S
|
CC[C@H](/C=C1\OC(=O)C2=C(C3=CC=CC(O)=C3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/CCC1CCCC1)OC2=O)CCC(C)C
| 0
|
C30H26O12
|
O=C(/C=C/C1=CC=C(O)C=C1)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)C=C3O2)C=C1
| 1
|
C33H45NO
|
CCN[C@H]1CC[C@H](C2=CC(O)=CC(C[C@@H]3CCC[C@@H]([C@@]4(C)C=CC[C@H](C)C4)C3)=C2)C2=CC=CC=C21
| 1
|
C44H42N2O10
|
COC1=CC2=C3C(O)=C(C(=O)CN4CC5=C(C=CC=C5C4=O)CC#CO[C@@H]4[C@@H](O)[C@@H](O2)O[C@H](COCC2=CNC5=CC=CC=C25)[C@H]4O)C(C2CCCC2)=CC3=C1
| 1
|
C22H28N2O3
|
C/C=C1\CN2CC[C@@]34C5=CC(OC)=CC=C5N(C)[C@@]23CC[C@H]1[C@H]4C(=O)OC
| 1
|
C25H27N3O8
|
COCCC1=NOC(CCN/C(C)=C2\C(=O)C=C3OC4=C(C(C)=O)C(O)=C(C)C(O)=C4[C@@]3(C)C2=O)=N1
| 1
|
C19H18O6
|
CCCC[N+]1=C(N)C(C(=O)NCCC2=CC=C(OC)C=C2)=CC2=C1N=C1C=CC=CN1C2=O
| 0
|
C55H106O6
|
CC(O)(CC(=O)O)CC(=O)OC[C@@H]1O[C@@H](C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)C(O)C(O)[C@@H]1O
| 0
|
C16H28O2
|
CC1(C)CC23C[C@@H]1CCC2(C)CC[C@H](O)[C@@]3(C)O
| 1
|
C15H24
|
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3
| 0
|
C65H72N4O11
|
C=C(C)CC1=C(OCC(C)=O)C=CC2=C1C1=CC=NC3=C1N2C(=O)C1=CC=CC=C13
| 0
|
C30H39ClN2O9
|
CC(C)[C@]12C=C[C@](C)(OO1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2O
| 0
|
C9H9NO2S
|
CSC(=O)C1=CC=CC(C(C)=O)=N1
| 1
|
C21H22O4
|
COC1=C([C@H]2COC3=CC(O)=CC=C3C2)C=CC2=C1C=CC(C)(C)O2
| 1
|
C17H11ClO4
|
C/C1=C\CC/C(C)=C/[C@@H]2[C@H](CC/C(C)=C/CC1)C2(C)C
| 0
|
C21H24N2O2
|
COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@@]5(C6=CC=CC=C6N[C@]15[C@H]2C)[C@@H]43
| 1
|
C18H16Br4N2O5
|
C[C@H](CO)[C@@]12CC[C@@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1C2
| 0
|
C30H46O4
|
C/C(=C/CC[C@@H](C)[C@@H]1CC[C@@]2(C)C3=C(C[C@H]2[C@@]1(C)O)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(=O)O
| 1
|
C25H24O5
|
CC1(C)C=CC2=C(O1)C1=C(OC(C)(C)C=C1)C1=C2O[C@H](C2=CC=CC=C2)[C@H](O)C1=O
| 1
|
C26H21NO6
|
CC(=O)CC1=CC(O)=CC2=C1C(=O)C=C(CN1C(C)=CC3=CC(=O)C=C4OC(C)=CC1=C34)O2
| 1
|
C43H58N8O11
|
CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
| 0
|
C30H48O2
|
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@@]6(C)CC[C@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@H]5C[C@H](O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H]4C2(C)C)OC[C@H]1O
| 0
|
C20H23N
|
C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)/C(C)=C/C)C=C(C)[C@]13O[C@H]1[C@H]1O[C@@]1(C)[C@H]23
| 0
|
C40H78O5
|
CC(C)CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCCCCCCC(C)C
| 1
|
C46H88O6
|
CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC
| 1
|
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