formula
stringlengths 2
21
| smiles
stringlengths 4
474
| label
int64 0
1
|
|---|---|---|
C30H48O2
|
CC(C)C1=C2C=C[C@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@]2(C)CC1
| 1
|
C12H9ClO
|
OC1=CC=C(C2=CC=CC=C2)C=C1Cl
| 1
|
C16H20N4O2
|
CN1C(=O)[C@@H](O)[C@H]2CN(CC3=NC4=CC=CC=C4N3C)C[C@H]21
| 1
|
C23H29ClN2O3
|
COC1=CC=C([C@@H](CNC(=O)C2=CC=C(OC)C(Cl)=C2)N2CCCCCC2)C=C1
| 1
|
C31H32O16
|
C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C
| 0
|
C27H35NO5
|
CCCCCCC[C@H]1O[C@@H]1C(=O)N[C@H]1C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC2=CNC3=CC=C(O)C=C23)C(=O)N[C@@H](C2=CC=C(O)C=C2)C(=O)O[C@H]1C
| 0
|
C13H25NO9S3
|
CSCCCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O
| 1
|
C21H32O4
|
C=C(C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)CCCC(=C)[C@@H]2C1
| 0
|
C23H37N3O3
|
CN(C(=O)C[C@@H]1CN(C2CCCC2)[C@@H]2CO[C@@H](CC(=O)N(C)C3CC3)[C@H]12)C1CC1
| 1
|
C20H28O5
|
C/C=C(\C)C(=O)O[C@@H]1CC(CO)=CCC/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]21
| 1
|
C47H74O18
|
CC1(C)CC[C@]2(C(=O)O)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]2C1
| 1
|
C20H27N3O3
|
C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H]1N(CCN2CCCC[C@@H]2C)C(=O)[C@@H]2[C@H](C(=O)NC3=CC=C(Cl)C=C3)[C@@H]3C=C[C@]21O3
| 0
|
C19H20ClN3O3S2
|
NC(=O)[C@@H]1C[C@@H](O)[C@H](O)[C@H]2[C@@H]1N(C1=CC=C(Cl)C=C1)C(=S)N2CC1=CC=CS1
| 1
|
C12H16O3
|
CCCCOC1=CC=CC(CC(=O)O)=C1
| 1
|
C42H68O13
|
COC1=CC=C([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(N)=O)C(OC)=C1
| 0
|
C20H24O10
|
CC(=O)C1=CC2=C(OC3=CC(O)=C(O)C(C(=O)O)=C3C2=O)C(C(C)=O)=C1[C@@H]1COC2=CC(O)=C(O)C(C(=O)O)=C2C1=O
| 0
|
C34H40O10
|
COC1=CC(OC(C)=O)=C2C(=O)C3=C(C(=O)C2=C1)[C@@H](OC(C)=O)[C@](C)(O)[C@H](OC(C)=O)[C@H]3OC(C)=O
| 0
|
C28H36N2O12
|
CC(=O)O[C@H]1[C@@H](O)[C@H](CO)O[C@H](O[C@@H](/C=N\CC2=CC=CC=C2O)[C@@H](CO)O[C@H](O)/C=N/CC2=CC=CC=C2O)[C@@H]1O
| 1
|
C22H18N2O5
|
COC1=CC=C2C(=C1OC)C(=O)N1C3=CC=CC=C3C(=O)N(CC3=CC=CO3)[C@@H]21
| 1
|
C27H27N3O3
|
COC(=O)[C@@]1(O)C(=O)C=C(C)[C@@]12OC(=O)C1=C(O)C=C(OC)C=C12
| 0
|
C49H94O5
|
COC(=O)C1=C2NC3=CC(OC)=CC=C3[C@]23CCN2CCC[C@]([C@@H](C)OC(=O)C4=CC(OC)=C(OC)C(OC)=C4)(C1)[C@@H]23
| 0
|
C17H16Br3NO3
|
C[C@H]1C=C(C=O)C(C=O)=C[C@]2(O)CC(C)(C)C[C@H]12
| 0
|
C18H18O5
|
O=C1OC[C@H](CC2=CC=C(O)C(O)=C2)[C@H]1CC1=CC=CC(O)=C1
| 1
|
C30H42O7
|
CCOC(=O)/C=C1\[C@H]2CC[C@H](C2)C1(C)C
| 0
|
C11H13NO4S
|
O=C(O)[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1
| 1
|
C10H16O4
|
CCCCCC#C[C@@H](O)[C@@H](O)C(=O)O
| 1
|
C16H12O6
|
COC1=CC=C(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1
| 1
|
C19H22O7
|
C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)C(C)C)C[C@]1(C)OC(=CC1=O)C(=C)[C@@H]2O
| 1
|
C16H12O6
|
CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)C(=O)N[C@H](C=O)CCCN=C(N)N
| 0
|
C20H26O6
|
COC1=CC=CC(NC(=O)N[C@H]2CCN(C(=O)C=C(C)C)[C@@H]2C(=O)N[C@@H](CC2=CC=CS2)C(N)=O)=C1
| 0
|
C20H18BrN3O
|
CC(=O)OC1=CC(OC(C)=O)=CC(OC2=C(OC(C)=O)C=C(OC(C)=O)C3=C2OC2=C(C=C(OC(C)=O)C(C4=C(OC(C)=O)C=C(OC(C)=O)C=C4OC4=C(OC(C)=O)C=C(OC(C)=O)C5=C4OC4=C(OC(C)=O)C=C(OC(C)=O)C=C4O5)=C2OC(C)=O)O3)=C1
| 0
|
C55H94O24
|
CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2[C@@H](O[C@@H]3O[C@H](C)[C@@H](OC(=O)[C@H](C)CC)[C@H](O)[C@H]3O)[C@H](C)O[C@@H](O[C@H]3[C@H](O[C@H]4[C@H](O1)O[C@H](C)[C@@H](O)[C@@H]4O)O[C@H](COC(=O)[C@H](C)[C@H](C)O)[C@@H](O)[C@@H]3O)[C@@H]2OC(=O)[C@H](C)[C@H](C)O
| 1
|
C21H28O2
|
C/C=C\C1=CC2=C[C@@H]3[C@@H](C(=O)CCCCCCC)C(=O)O[C@@]3(C)C(=O)C2=CO1
| 0
|
C28H28O13
|
COC1=CC=C(/C=C\C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@H]3O)=C2)C=C1O
| 1
|
C41H62O13
|
COC(=O)C[C@@H]1C2=C(C[C@@H]3[C@](C)(CO)[C@H](O)CC[C@]31C)SC(NS(=O)(=O)C1=CC=C(C)C=C1)=N2
| 0
|
C48H74O14
|
CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2
| 1
|
C12H15NO2
|
CC1(C)CN[C@H](C(=O)O)C2=CC=CC=C21
| 1
|
C19H19NO7S
|
C[C@@]12CC[C@@H](O)[C@@H]3COC(=C31)C(=O)C1=CC3=C(OCCO)C=CC=C3C=C12
| 0
|
C15H26O2
|
CO[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]5CC[C@@H](C(C)C)[C@]5(C)CC[C@@]4(C)[C@H]3CC[C@@H]2C1(C)C
| 0
|
C8H14O2
|
C=C1C(=O)[C@@]23[C@H](OC(C)=O)C[C@@H]4C(C)(C)CCC[C@@]4(COC(C)=O)[C@@H]2C(=O)C[C@H]1[C@@H]3OC(C)=O
| 0
|
C57H102O6
|
CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
| 1
|
C24H18O12
|
CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)[O-])CC[C@@H]1C)[C@H]1OC2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C.[Na+]
| 0
|
C22H19NO7
|
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C\C)C[C@@]1(C)CCC=C(C)[C@H]21
| 0
|
C30H49NO2
|
C=C(C)[C@@H]1CC[C@]2(/C=N/O)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
| 1
|
C29H30N4O6
|
NC1=CC=C([C@@H]2CC[C@@]3(O)CC4=C(C=C5OC([C@H](O)C6=CC(O)=CC(O)=C6)=CC(=O)C5=C4O)O[C@@]3(CO)C2)C=C1
| 0
|
C65H122O6
|
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
| 1
|
C20H30O2
|
C=C1CCC[C@@]23CO[C@@H](C2)C2=C(C(C)C)CC[C@]2(C)C[C@]13O
| 1
|
C16H16O5
|
COC1=CC2=C(C=CC(C)(C)O2)C2=C1C(=O)C=C(CO)O2
| 1
|
C51H75N3O9
|
CC1=CC[C@@H]2C(C)(C)CC(=O)C[C@]2(C)[C@@H]1CC/C(C)=C/CO
| 0
|
C41H30O27
|
COC(=O)[C@H]1[C@@H]2C[C@@H]3C4=C(CCN3C[C@H]2CC[C@@H]1O)C1=CC=CC=C1N4
| 0
|
C51H98O6
|
CCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C
| 1
|
C22H22ClNO4
|
COC(=O)[C@]12CC[C@](C)(C(=O)O)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
| 0
|
C16H20O11
|
CC(C)=CCC/C(C)=C\C[C@]12C[C@@H](CC=C(C)C)[C@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C(=O)C(C(=O)C3=CC=C(O)C(O)=C3)=C1O)C2=O
| 0
|
C41H40O8
|
CNC1=CC=CC=C1C(=O)O[C@@H](C)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@H]4C[C@H](OC)[C@H](O[C@H]5C[C@H](OC)[C@H](O[C@H]6C[C@@H](OC)[C@H](O[C@@H]7O[C@H](C)[C@@H](O)[C@H](OC)[C@H]7O)[C@@H](C)O6)[C@@H](C)O5)[C@@H](C)O4)CC3=CC[C@]12O
| 0
|
C27H32N2O6S
|
CCCCC/C=C/C=C/C(=O)OC1[C@H](C)OC(C2=CC=C3C(=O)C4=C5C(O)=CC(C)=CC5=CC=C4C(=O)C3=C2O)C[C@@H]1O
| 0
|
C30H52S
|
CC[C@@]1(C)CC[C@]2(S1)[C@H](C)CC[C@H]1[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]12C
| 1
|
C46H88O6
|
CCC(C)CCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C
| 1
|
C25H24ClNO6
|
COC1=CC2=C(C=C1OC)CN(CC1=CC(=O)C(OCC(=O)C3=CC=C(Cl)C=C3)=CO1)CC2
| 1
|
C36H46N4O10S2
|
C[C@@]1(O)CCC[C@@H]2C3=C(O[C@@H]21)C1=C2OC(=C(CC4=CC=C(NO)C=C4)C(=O)C2=C3OC2CCCC2)[C@@H](O)C[C@](CO)(N=C(N)N)CSS[C@H]1C(O)O
| 1
|
C51H84N4O18P2
|
C=C(CCC(=O)OC)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
| 0
|
C25H29N3O3
|
COC1=CC=CC=C1CNC(=O)C[C@@H]1CCNC[C@@H]1CC1=NOC(C2=CC=CC=C2)=C1
| 1
|
C55H88O26
|
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
| 1
|
C23H30O7
|
CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@]2(O)CC1=O
| 0
|
C42H77O10P
|
CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4C3=C[C@H](O)[C@@]2(O)C1
| 0
|
C67H122O6
|
COC1=CC=C(NC(=O)[C@H]2CC(=O)O[C@@]23CCOC(C)(C)C3)C=C1
| 0
|
C28H48O
|
CNCC1=C(N)N=C2C3=C1C#C[C@H](CCC1=CC=C(O)C(CC4=CC=CC(O)=C4)=C1)CCC[C@@H](C[C@H](O)CCC1=CC=C(O)C(=C1)OCC1=CC([C@@]45CCOC[C@H]4CCC4=CC=CC=C45)=CC4=CN2C=C14)OC3
| 0
|
C38H72NO8P
|
CCOC1=CC=C(N2C(=O)[C@H]3[C@@H](C4=CC=CC=C4)OC4(C(=O)C5=CC=CC=C5C4=O)[C@@H]3C2=O)C=C1
| 0
|
C7H12N2O5
|
CC(C)C(=O)O[C@@H]1C2=C(C=C(O)C3=C2C(=O)C2=CC=CC(O)=C23)C(=O)[C@H](C)[C@H]1O
| 0
|
C16H24O4
|
COC1=CC=C(CCN2COC3=CC=C4C5=C(CCC5)C(=O)OC4=C3C2)C=C1
| 0
|
C17H24O5
|
CCCCCCC=CCCCCCCCCC=COC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
| 0
|
C19H22N2O3
|
CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](CN3CCN(C4=CC=CC=C4)CC3)[C@H]1[C@@H]2O
| 0
|
C22H34O3
|
CC(=O)OC[C@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(COC(C)=O)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
| 0
|
C16H14O6
|
COC1=CC(O)=C2C(=O)[C@@H](O)[C@@H](C3=CC=C(O)C=C3)OC2=C1
| 1
|
C19H27BrO6
|
COC1=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C(O)C2=C1[C@H](O)CC1=CC3=C(C(=O)O[C@H](C)C3)C(O)=C12
| 0
|
C21H15N3O3
|
C/C=C/C(=O)OCC1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)[C@@H](O)[C@@H]1O
| 0
|
C12H10O3
|
COC1=CC=C2C=C(C(=O)O)C=CC2=C1
| 1
|
C50H94O6
|
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC
| 1
|
C29H44O6
|
C=C[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C
| 1
|
C37H34N4O4
|
COC1=CC=CC(C2C3=C(C[C@H]4C(=O)N(C5=CC=CC=C5C(=O)NC(C)CCC5=CC=CC=C5)C(=O)N24)C2=CC=CC=C2N3)=C1
| 1
|
C20H26O5
|
CC1=CC2=C(C=C1C)C(C[P@](=O)(O)CCC1=CC=CC=C1)=CC(=O)O2
| 0
|
C30H38O5
|
CCCCCC1=CC2=CC(O)=CC(OC3=C(O)C=C(OC)C=C3CCCCC)=C2C(=O)O1
| 0
|
C61H118O5
|
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
| 1
|
C21H24O6
|
C=C(C)C1=C(O)C2=C(C(O)=C1OC)[C@@]1(C)CCC(=O)C(C)(C)C1=C(O)C2=O
| 1
|
C62H120O6
|
CCC(C)CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)C
| 1
|
C35H54O14
|
CC[C@@H]1C[C@H]2CN3CC[C@@]4(NC5=CC=C(OC)C=C5C4=O)[C@@](C(=O)OC)(C2)[C@H]13
| 0
|
C43H48O23
|
COC1=CC(C2=[O+]C3=CC(O)=CC(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)=C3C=C2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](OC(=O)C=CC4=CC=C(O)C=C4)[C@H](O)C3O)[C@@H](O)C(O)C2O)=CC(O)=C1O
| 1
|
C54H78O19
|
CC(=O)O[C@@H]1[C@@H](O[C@H]2C[C@@H]3[C@H]4CC=C5C[C@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@]2(O)[C@@H](C)C(=O)CCC(C)C)OC[C@H](O)[C@H]1O[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/C1=CC=CC=C1
| 1
|
C27H40N2O6
|
NCCCCCNC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21
| 0
|
C45H73NO16
|
C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
| 1
|
C22H24O12
|
COC1=CC(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)=CC2=C1C(=O)[C@H](O)[C@H](C1=CC=C(O)C(O)=C1)O2
| 1
|
C15H20
|
C=C1CC[C@@H](C(C)C)C2=CC(C)=CC=C12
| 1
|
C36H36O19
|
O=C(/C=C/C1=CC=C(O)C(O)=C1)OC1[C@@H](O)[C@H](O)C(CO)O[C@H]1C1=C(O)C=C2OC(C3=CC=C(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)C(O)=C3)=CC(=O)C2=C1O
| 1
|
C34H28O22
|
O=C(OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@](O)(COC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1
| 1
|
C45H69ClN8O14
|
CCCC(=O)N[C@@H](C)C(=O)NC(C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]2CC[C@@H](O)N(C2=O)[C@@H](C(C)O)C(=O)N(C)[C@@H](CC2=CC=C(O)C(Cl)=C2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)C(C)O
| 1
|
C15H24N4O4
|
C[C@@H]1CC[C@H]2[C@@H](C=C[C@](C)(O)[C@@]2(C)C(=O)/C=C/C2=CO[C@@]3(C)C=C[C@@H]4C[C@@H](C)CC[C@H]4[C@]3(C)C2=O)C1
| 0
|
C25H26O4
|
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCC
| 0
|
C28H48O2
|
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC
| 0
|
C39H54O6
|
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(C(=O)OC4)[C@H](O)C[C@]13C)[C@H]2O
| 0
|
C31H52O6
|
CC1(C)CC2=C3CO[C@@H](O)[C@@H]3C[C@H](O)[C@]2(C)[C@@H](O)C1
| 0
|
C48H92NO7P
|
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
| 1
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.