formula
stringlengths 2
21
| smiles
stringlengths 4
474
| label
int64 0
1
|
|---|---|---|
C29H46O2
|
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
| 0
|
C20H33N5O3
|
CC(C)CN1C[C@@H](N2C=C(NC(=O)C3CC3)C=N2)C[C@H]1COCC(=O)N(C)C
| 1
|
C24H33NO2
|
COC1=CC=C(CNCC[C@]2(C3=CC=C(C)C=C3)CCOC(C)(C)C2)C=C1
| 1
|
C20H15ClO6
|
CC1(C)CC[C@]2(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5CC[C@]43C)[C@@H]2C1
| 0
|
C101H176N4O47
|
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](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]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCC
| 1
|
C29H42O11
|
C=C1C[C@@H]2[C@](C)([C@H](O)CC(=O)OC)[C@@H](C(C)(C)O)C[C@@H](OC(C)=O)[C@@]2(C)[C@@H]2C(=O)O[C@@](C)(C(=O)OC)C(=O)[C@]12C
| 1
|
C15H23BrO
|
C[C@@H]1C(=O)C2=C(C=C(CO)C(CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2CO)[C@H]1O
| 0
|
C9H15N3O2S
|
O=C(NC1=CC=CC=C1)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCC(O)CC3)N2C1
| 0
|
C22H29ClO7
|
CC(=O)O[C@H]1CC/C(C)=C(/Cl)[C@H]2OC(=O)[C@H](C)[C@@]2(O)[C@@H](O)[C@H]2[C@@H](C)C(=O)C=C[C@@]21C
| 1
|
C28H36O5
|
CC[C@H](C)NC(=O)/C=C/C=C/C[C@H]1CCC2=CC3=C(C=C2O1)OCO3
| 0
|
C20H19N3O4
|
COC1=CC=C(OC)C(NC(=O)C2=CC=C3C(=O)N4CCCC4=NC3=C2)=C1
| 1
|
C31H35NO5
|
CC1=CC(OC(C)C(=O)N2CCC3(O)CCCCC3[C@@H]2C2=CC=CC=C2)=C2C3=C(CCC3)C(=O)OC2=C1
| 1
|
C60H82O8
|
CCC1=CC(=O)OC2=CC(C)=CC(OC(=O)[C@@H](NC(=O)OCC3=CC=CC=C3)C(C)C)=C12
| 0
|
C20H30O
|
CC(C)=CCC[C@](C)(O)[C@@H]1[C@H]2[C@H](O)C[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]2(C)C[C@@H]1O
| 0
|
C33H22O10
|
CCC[C@@H]([C@@H]1C[C@@H](CC2=CC=NC(N)=C2)C[C@H]2C#C[C@H](C3=CC=CC=C3)C3=CC(O)=C(OC)C=C3CCC(=O)[C@H](O)C(=O)[C@H]2C1)[C@H](O)CC1=CC(C(C)C)=CN1
| 0
|
C17H24O3
|
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C(=O)O
| 1
|
C20H27NO2
|
C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C#N)CC(=O)CC[C@]34C)[C@@H]1CCC2=O
| 1
|
C24H32N2O3S
|
COC1=CC=C(CN2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2C2=CC=CS2)C=C1
| 1
|
C59H96O26
|
N#CC1=C[C@@H](C2=CC=CC=C2)[C@H]2OC(=O)N[C@H]2O1
| 0
|
C20H34O3
|
C=C[C@@](C)(O)CC/C=C(\C)C[C@@H](C=C(C)C)OC(=O)[C@H](C)CC
| 1
|
C35H47N3O8
|
C=C1[C@H]2[C@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3OC(=O)/C=C/C3=CC=C(O)C=C3)OC=C(C(=O)O)[C@@H]2C[C@@H]1O
| 0
|
C26H22O4
|
O=C1OC2=CC(OCC3=CC=CC=C3)=CC(OCC3=CC=CC=C3)=C2C2=C1CCC2
| 1
|
C37H60O8
|
C=C(C)COC1=NC(N2CCCC2)=C2COC(C)(C)CC2=C1C#N
| 0
|
C14H19N5O7
|
COC1=CC2=C(C=C(C(=O)C3=CC=C(O)C=C3)O2)C=C1O
| 0
|
C18H25N3O4
|
CC(C)=C[C@@H]1N2C(=O)[C@@H](C)NC(=O)[C@@]2(O)C[C@]12NC1=CC=CC=C1C2=O
| 0
|
C32H48O5
|
CCCCCCC/C=C/C=C/C(=O)O[C@H]1C(C)=C[C@]23C[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C
| 1
|
C18H22O2
|
CC(=O)C1=CC2=C(OC(C)(C)C=C2)C(CC=C(C)C)=C1
| 1
|
C11H11BrN2O2
|
CC(=O)C(=NNC1=CC=C(Br)C=C1)C(C)=O
| 1
|
C37H54O13
|
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CCC4=C(C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(O)=C4C)[C@]3(C)C(=O)C[C@]12C
| 1
|
C46H73N9O12
|
COC1=CC(CCC(=O)C[C@H](OC(C)=O)[C@@H]2C[C@]3(C=CC=C[C@@H]3C)CC[C@H]2C2=CCN=C2)=CC=C1O
| 0
|
C13H26O3
|
COC(=O)CCCCCCCCCCCO
| 1
|
C32H46N2O3
|
C[C@H](CCC(=O)NC1=CC=CC2=C1C=CN2)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
| 1
|
C56H108O6
|
COC1=CC(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O
| 0
|
C39H68O5
|
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
| 0
|
C29H38O5
|
OC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCCC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
| 0
|
C6H13N
|
C=C(C)C(=O)O[C@@H]1C[C@@](C)(O)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2
| 0
|
C26H28O6
|
O=C(O)C[C@@H]1C(=O)O[C@@H]2C3COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)O[C@@H]2C(OC(=O)C2=CC(O)=C(O)C4=C2[C@H]1[C@H](O)C(=O)O4)[C@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)O3
| 0
|
C23H25NO5
|
COC1=CC2=C(C=C1OC)C1=CC(C3=CC(OC)=C(OC)C(OC)=C3)=CN1CC2
| 1
|
C27H31NO6
|
COC1=C[C@@H]2C3=C([C@@H]2C1=O)[C@@H](NC(C)=O)CCC1=CC(O)=C(OC)C(OC)=C31
| 0
|
C17H24O4
|
CC(=O)O[C@H]1C=C2C(=O)OC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12
| 1
|
C20H30O6
|
CC(C)[C@H]1C(=O)N(C2=CC=CC=C2)[C@@H]1C1=CC=CC=C1
| 0
|
C40H58O5
|
COC1=CC(/C=C/C(=O)O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]4(C)CC5=CC[C@H]6C(C)(C)[C@@H](O)CC[C@]6(C)[C@H]5CC[C@H]43)C2(C)C)=CC=C1O
| 1
|
C61H104O6
|
CC(C)OC1=CC=C([C@H](CCN[C@H](C)C2=CC=C(Cl)C=C2)C2=CC=CC=C2)C=C1
| 0
|
C52H88O22
|
C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C
| 1
|
C22H28N2O3
|
CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H]1C
| 0
|
C19H22N2O4
|
O=C(O)C1CC=CCC1C(=O)N1C[C@@H]2C[C@@H](C1)C1=CC=CC(=O)N1C2
| 1
|
C33H44O17
|
C=C[C@@](C)(O)CC/C=C(\CO)C(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@](C)(C=C)CC/C=C(\CO)C(=O)O[C@H]2C[C@]3(C(=O)O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)C[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO[C@H]8OC[C@@H](O)[C@@H](O)[C@@H]8O)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]3CC2(C)C)O[C@@H]1C
| 0
|
C67H98O6
|
O=C1C=C(C2=CC=C(O)C(O)=C2)OC2=CC(O[C@H]3OC[C@H](O)[C@H](O)[C@@H]3O)=C(O)C(O)=C12
| 0
|
C28H32O15
|
O=C1C=CC2=CC3=C(C=C2O1)OC=C3C1=CC=C2C=CC=CC2=C1
| 0
|
C67H118O6
|
O=C1C2=C(NC(=S)N[C@H]2C2=CC=C(Cl)C=C2)C2=CC=CC=C12
| 0
|
C28H42O9
|
CCOC(=O)CC1=CC(O)=CC(O)=C1C(=O)CCCCCCCOC(=O)CC/C=C/C[C@H](O)C[C@@H](C)O
| 1
|
C10H9NO4
|
CC(=O)C1=CC=C(C(C)=O)C([N+](=O)[O-])=C1
| 1
|
C29H34N2O5
|
COC1=CC(C)=CC2=C1C(C)=C(CC(=O)N[C@@H](CSC)C(=O)O)C(=O)O2
| 0
|
C32H35NO11
|
CC(=O)OC[C@]12C(=O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@H](C)C[C@H](OC(=O)C1=CC=CN=C1)[C@@H]2O
| 1
|
C57H108O6
|
COC1=CC=CC(CNC(=O)C2=CC3=C4C(=N2)C2=CC=C(OC)C(OC)=C2C(=O)N4C2=CC=CC=C32)=C1
| 0
|
C22H34N2O
|
[C-]#[N+][C@@H]1[C@@H]2[C@@H]([C@H](C)CCC=C(C)C)CC[C@](C)([N+]#[C-])[C@H]2CC[C@@]1(C)O
| 1
|
C42H72N2O6
|
C=C(/C=C/C=C(/[C@H](O)CCCCC)[C@@H]1CC[C@]2([C@@H]1O)[C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)CC/C=C(\C)CN[C@H](C)CCOC
| 1
|
C45H64O2
|
CC(=O)CCCCCC(C)(C)C(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C/C=C(C)/C=C(\C)[C@H]1C(C)=CCCC1(C)C
| 1
|
C15H18O5
|
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C
| 0
|
C14H23N5O4
|
CC[C@H](CO)NC[C@@H](O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C
| 1
|
C39H43N3O12S
|
COC1=CC=C(N2CC(C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)C(C)C)CC2=O)C=C1
| 0
|
C33H38N2O8
|
COC(=O)[C@H]1[C@H]2C[C@@H]3C4=C(CCN3C[C@H]2C[C@@H](OC(=O)/C=C/C2=CC=C(O)C(OC)=C2)[C@@H]1OC)C1=CC=C(OC)C=C1N4
| 1
|
C46H88O6
|
COC1=CC=C(CCN2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@@]4(C(=O)NC5=C4C=CC(Cl)=C5C)[C@@H]3C2=O)C=C1OC
| 0
|
C17H25N3O4
|
CC(C)(C)CC(=O)N[C@@H]1CO[C@H](CNC(=O)C2=CC=NC=C2)[C@H]1O
| 1
|
C16H16O2
|
COC1=CC=C2C(=C1)C1=C3C2=NC=CC3=CC=[N+]1[O-]
| 0
|
C20H18O6
|
O=C(/C=C/C=C/C1=CC=CC=C1)C[C@]1(O)C(=O)NC2=CC=C(Br)C=C21
| 0
|
C4H9I
|
COC(=O)C1=C(C)C=C(OC2=C(C)C(=O)[C@H](O)[C@](C)(OC)[C@@H]2O)C(C)=C1O
| 0
|
C20H20N2O2
|
OCCC1=C([C@@H](CO)C2=CNC3=CC=CC=C23)NC2=CC=CC=C12
| 1
|
C21H22N6O
|
C=CC1=C(CO)[C@@H]2O[C@@H](O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1
| 0
|
C32H41N3O4
|
CCCCCCCCCCCCCC1=C(O)C(=O)C=C(NCCCC(=O)O)C1=O
| 0
|
C7H13NO2
|
CC(C)=CCC[C@H](C)[C@H]1CC/C(C)=C/C/C=C2/C(=O)OC[C@@H]21
| 0
|
C21H28O3
|
CC(=O)[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)CC(=O)[C@@]4(C)[C@@H]3CC[C@]12C
| 1
|
C26H24O14
|
CC(=O)OC1[C@H](OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(O)C3=O)OC[C@@H](OC(C)=O)[C@@H]1OC(C)=O
| 1
|
C26H35ClO6
|
COC1=CC(NC(=O)CCNC(=O)N2CCC3=C(C2)NC2=CC=CC=C32)=CC(OC)=C1OC
| 0
|
C27H26O18
|
COC(=O)[C@H](OC(C)=O)[C@@H]1C(C)(C)[C@H](OC(C)=O)[C@H]2CC3=C4CC(=O)O[C@@H](C5=COC=C5)[C@]4(C)CC[C@H]3[C@]1(C)C2=O
| 0
|
C20H34O2
|
COC(=O)[C@H](CC1=CC=C(O)C([N+](=O)[O-])=C1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1
| 0
|
C15H22O2
|
COC1=CC=C(N2C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)O)C3=CC=CC=C3)CC2=O)C=C1
| 0
|
C21H22O6
|
CC1=C(C(=O)O)C(C)(C)CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
| 0
|
C27H30O13
|
C[C@@H]1O[C@@H](C2=C(O)C([C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]3O)=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)[C@H](O)[C@H](O)[C@H]1O
| 1
|
C59H108O5
|
CC[C@@]1(O)CCC2=C(O)C3=C(C(=O)C4=C(O)C=CC(O)=C4C3=O)C(O)=C2[C@@H]1O[C@H]1C[C@@H](N(C)C)[C@H](O[C@H]2C[C@@H](O)[C@H](O[C@@H]3CC[C@@H](O)[C@H](C)O3)[C@@H](C)O2)[C@@H](C)O1
| 0
|
C40H78O5
|
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCCCCCC(C)C
| 1
|
C32H48O5
|
CC(=O)O[C@H](C(=O)C=C(C)C)[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]12C
| 1
|
C48H80O18
|
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](C=C[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@]3(O)[C@H](C)O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@@H](OC)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](C)O4)[C@@H](C)O3)C2)[C@@H]1O
| 1
|
C29H40O10
|
C[C@@H]1C[C@@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@](O)(C6=CC(=O)OC6)CC[C@]54O)C[C@H]3O[C@@H]2O1
| 1
|
C29H27NO3
|
CCCCCOC1=CC=C(N2C(=O)[C@@H]3[C@H]4C5=CC=CC=C5[C@H](C5=CC=CC=C54)[C@H]3C2=O)C=C1
| 1
|
C22H23BrN2O
|
CC1=CC=C2C(=C1)C(C)(C)[C@]1(/C=C/C3=CC=CC(Br)=C3)NC(=O)CCN21
| 1
|
C67H112O6
|
C=C[C@](C)(CC/C=C(\C)CCC[C@@H](C)CO)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1OC(C)=O
| 0
|
C21H30O4
|
COC1=C(C(C)C)C(=O)C(O)=C2C1=C[C@@H](O)[C@H]1C(C)(C)CCC[C@]21C
| 1
|
C43H72O5
|
CC(=O)O[C@H]1[C@@H](O)[C@@H](O[C@@H](C/[NH+]=C/C2=CC=CC=C2O)[C@@H](CO)O[C@H](O)C/[NH+]=C/C2=CC=CC=C2O)O[C@@H](CO)[C@H]1O
| 0
|
C25H28O9
|
CCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC
| 0
|
C59H86N2O19
|
COC1=CC(CC2=NC=CC3=CC(OC)=C(OC)C=C23)=C(NC(=O)COC2=CC=C(Cl)C=C2)C=C1OC
| 0
|
C11H14N4O4
|
NC1=NC=NC2=C1C=CN2[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O
| 1
|
C23H32N2O8
|
CC(/C=C/C(=O)NO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)=C\[C@@H](C)C(=O)C1=CC=C(N(C)C)C=C1
| 1
|
C59H102O6
|
COC1=CC(O)=C([C@@H]2CC(=O)C3=C(O)C=C(OC)C(CC=C(C)C)=C3O2)C(O)=C1
| 0
|
C22H21NO4
|
C[C@@H]1OC2=CC=CC=C2C=C1/C=C1\OC2=C(C=CC(O)=C2CN(C)C)C1=O
| 1
|
C43H69N3O8
|
COC1=CC=C(OC2=CN=C(N)N=C2C2=CC=C(OCC3=CC=CC(Cl)=C3)C=C2O)C=C1
| 0
|
C16H18O6
|
C[C@@H]1C(=O)O[C@@H]2C[C@@](C)(O)[C@@H]3CC[C@@](C)(O)[C@@H]3C[C@H]12
| 0
|
C26H32O13
|
COC1=CC([C@H]2O[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]3[C@@H]2[C@H](O)O[C@@H]3C2=CC=C(O)C(OC)=C2)=CC=C1O
| 1
|
C32H34ClN3O8S
|
CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C
| 0
|
C29H46O6
|
CC(C)[C@@]1(O)C[C@]2(O[C@H]3C[C@H]4[C@@H]5C(=O)C[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)O[C@@]1(C)O
| 1
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.