formula
stringlengths 2
21
| smiles
stringlengths 4
474
| label
int64 0
1
|
|---|---|---|
C20H24N2OS
|
COC1=CC(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@]2(O)CO)=C2C(O)=C(C(C)=O)C(C3CCCC3)=CC2=C1
| 0
|
C56H46O8
|
OC1=CC=C2C(=C1)CCC1=CC=C(C=C1)OC1=CC(=CC=C1O)CCC1=CC(O)=C2C=C1OC1=CC=C2C(=C1)CCC1=CC=C(C=C1)OC1=CC(=CC=C1O)CCC1=CC=C2C(O)=C1
| 1
|
C21H34O4
|
C=C(C(=O)OC)[C@H]1CC/C(C)=C/CC/C(C)=C/CC[C@](C)(O)[C@H](O)C1
| 1
|
C17H26N2O2
|
C#C[C@H]1C[N@]2CC[C@H]1C[C@@H]2COC(=O)NC1CCCCC1
| 1
|
C27H36N2O5
|
COC1=CC=C(C2=CC(=O)OC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)C=C1
| 0
|
C14H21N3O
|
CC(C)NC(=O)N1CCC[C@@H](O)[C@H](NC(=O)C2=CC=C(OCCN3CCOCC3)C=C2)C1
| 0
|
C23H29N5O3
|
NC(=O)C1=NC2=CC=CC=C2C=C1O
| 0
|
C23H32N4O
|
CC1=NN(C2=CC=C(C(C)C)C=C2)C(C)=C1[C@@H]1C=C[C@@H](NC(=O)NC(C)C)C1
| 1
|
C4H9NO2
|
CCCC(=O)N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C
| 0
|
C28H28O10
|
CCCCCCC(=O)O[C@H]1O[C@@H](CO)[C@@H](O)[C@H]2OC[C@H](C(=O)O)CO[C@@H]12
| 0
|
C18H17NO4
|
COC(=O)[C@H]1C2=C(O)C3=C(C(=O)[C@@H]4C(O)=CC=C[C@H]4C3=O)C(O)=C2[C@H](O)C[C@@]1(O)CC(C)=O
| 0
|
C38H58O10
|
CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H]6O[C@H](CO)OC[C@@]6(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1
| 1
|
C16H10N2O5
|
CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1
| 0
|
C20H18O7
|
CC[C@@]1(O)C[C@H](O)C2=CC3=C(C(=O)C4=CC=CC(O)=C4C3=O)C(O)=C2[C@H]1O
| 1
|
C27H42O4
|
COC1=CC=CC=C1CNC(=O)C1=CC=C2N=C(C3=CC=C(OC)C(OC)=C3)C(C3=CC=C(OC)C(OC)=C3)=NC2=C1
| 0
|
C16H18O6
|
C=C1[C@H]2[C@H](O[C@@H]3O[C@H](COC(=O)/C=C/C4=CC=C(O)C(O)=C4)[C@@H](O)[C@H](O)[C@H]3OC(=O)C3=CC=C(O)C=C3)OC=C(C(=O)O)[C@H]2C[C@@H]1O
| 0
|
C26H32N2O2
|
[C-]#[N+][C@@]12C[C@@H](O)C(C)(C)C3=C4C5=C(C=CC=C5N3)C(C)(C)[C@@H](CC[C@]1(C)C=C)[C@@]42O
| 1
|
C31H37NO7
|
CNC1=CC=CC=C1C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CC=O)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
| 1
|
C57H96O6
|
C=C(C)C#C[C@@]12O[C@@H]1[C@@H](O)C=C[C@@H]2O
| 0
|
C20H22O7
|
CC1=CC(O)=CC2=C1OC1=C(CO[C@@H](C)[C@H](C)O)C(O)=CC(C)=C1C(=O)O2
| 1
|
C20H19N3O2
|
O=C1O[C@@H]2[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C1C=C(O)C(O)=C3O)[C@H](O)O[C@@H]1COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C4OC(=O)C5=C(C(O)=C(O)C6=C5C4=C3C(=O)O6)C3=C(C=C(O)C(O)=C3O)C(=O)O[C@@H]21
| 0
|
C19H27N3O5.ClH
|
CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C
| 0
|
C25H40N2O3
|
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCN(C2CCCCC2)CC1
| 1
|
C23H36O8
|
CC(C)[C@@]1(O)CC[C@@]2(C)C[C@](O)(C3CCC4[C@]3(C)CC[C@H]3OC(C)(C)[C@H](O)C(=O)[C@@H](O)[C@]43C)CCC21
| 0
|
C32H44N2O9
|
CCN1C[C@@]2(OC(=O)C3=CC=CC=C3NC(C)=O)CC[C@H](OC)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@]5(O)[C@H]6OC)[C@@](O)(C[C@@H]23)[C@@H]14
| 1
|
C65H102O6
|
O=C(OC1=CC=C(Br)C=C1)[C@H]1/C(=C\CO)O[C@@H]2CC(=O)N21
| 0
|
C15H24O2
|
C=CCOC1=CC=C(CC2(CN3C[C@H]4C[C@H](C3)C3=CC=CC(=O)N3C4)C(=O)N(C)C(=O)N(C)C2=O)C=C1
| 0
|
C27H43NO3
|
C=C[C@@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)C3=CC=CC4=C3[C@@]3(O)C(=N4)C(C)(C)[C@@H]4O[C@@H]4[C@@]1(N=C)[C@@]23O
| 0
|
C14H17NO6
|
CC[C@H](C)[C@H](NC(=O)[C@H](O)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCO)C(=O)N[C@@H]1C(=O)N[C@@H](CCO)C(=O)N[C@H]2CC[C@H](O)N(C2=O)[C@@H](CC2=CC=CC=C2)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
|
C25H39NO6
|
CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@@H](OC(C)=O)[C@H]23)[C@@H]14
| 1
|
C21H30O5
|
CO[C@@H]1C=C(CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C(=O)O)=CCC[C@H]23)C(=O)O1
| 1
|
C20H28O6
|
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(=O)C3=CC=CN=C3)[C@@H]3[C@@H](OC(=O)C4=CC=CO4)[C@@]14O[C@@]3(C)COC(=O)C1=CC=CN=C1C(C)C(C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
| 0
|
C15H10O5S
|
COC1=CC=CC=C1C(=O)OC1=CC=C2SC(=O)OC2=C1
| 1
|
C15H21N6O10P
|
CC1=CC(C2CCOCC2)=CC([C@H]2CC[C@H]3C#C[C@H]4CC(=O)[C@@](C)(C5CCCC5)[C@@H]5CC[C@@]6(C)[C@H]([C@H](O)[C@@H](CN7C3=C2C2=C7C=CN2)C2=C([C@H](C)C[C@@H](O)[C@H]3OC3(C)C)C(=O)C[C@@]26C)[C@@]54C)=C1
| 0
|
C16H20O6
|
COC1=CC(O)=C2C(=O)[C@H]3C[C@H](O)[C@@](C)(O)C[C@@H]3[C@H](O)C2=C1
| 1
|
C18H18N2O4
|
C=C(C)CN1C(=O)C(=O)C2=CC=CC=C21
| 0
|
C30H53BrO6
|
CC(C)=CCC[C@@](C)(O)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1
| 1
|
C14H27N3O7S
|
C[C@]12C3=CC=CC=C3[C@H](C3=CC=CC=C31)[C@@H]1C(=O)N(C3=CC=CC=C3Cl)C(=O)[C@H]12
| 0
|
C50H86O20
|
CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@H](O[C@H]3[C@H](O1)O[C@H](C)[C@H](O)[C@@H]3O)O[C@@H](C)[C@H](O[C@@H]1O[C@@H](C)[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](O)[C@H]1OC(=O)[C@@H](C)CC)[C@H]2O
| 1
|
C9H13NO2
|
COC1=CC=C([C@@H](O)CN)C=C1
| 1
|
C22H22O6
|
CC1=C(C(=O)CCC2=CC=CC=C2)C(O)=C2C(O[C@@H]3O[C@H](CO)[C@]4(C[C@@H]5C6=C(CC=C6[C@]6(CCO)COCC[C@H]6[C@H]5C)CO4)[C@H](O)[C@H]3O)=CC(C(=O)O)=CC2=C1O
| 0
|
C35H42O10
|
COC1=CC(O)=C(Cl)C2=C1[C@@H](/C=C/C1=CC=CC=C1)[C@@H]1[C@@H](C3=CC=CC=C3)OC3=CC(O)=CC(OC)=C3[C@@H]1O2
| 0
|
C30H38O6
|
CCCC[C@@]12CN3C[C@@](C)(C[N@](C1)[C@H]3C1=CN(CC)C3=CC=CC=C13)C2=O
| 0
|
C19H27IO6
|
CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC
| 0
|
C21H25N3O5
|
CC(=O)O[C@@]12C[C@H]3C(=O)N[C@H](CC(C)C)C(=O)N3[C@H]1N(C(C)=O)C1=CC=CC=C12
| 1
|
C35H48O16
|
CC1=NC(C2=COC3=C4OCCOC4=CC=C3C2=O)=CS1
| 0
|
C55H54O9
|
COCCC1=C(CO)C2=CC=C3OC4(C)CC#CCC5=CC6=CC=C5[C@@H]5C=C[C@@H](C7=CC=CC(CC8=CC=CC=C8)=C7)C[C@H]5CC(=O)O[C@H](C3=C2OC1=O)[C@@H]4OC(=O)C(=C(C)C)CC6
| 1
|
C20H18O10
|
COC1=CC=CC=C1C(=O)NC1=CC=C(N2CCN(C3=CC=CC=C3OC)CC2)C=C1C(=O)O
| 0
|
C18H16O10
|
O=C(O[C@H](C(=O)O)[C@](O)(CC1=CC=C(O)C(O)=C1)C(=O)O)C1=CC=C(O)C=C1
| 1
|
C19H28O13
|
COC1=CC=C2C=C1/C=C\NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H]1[C@H](CCN1C(=O)[C@@H](N)CC(C)C)O2
| 0
|
C15H26O2
|
C=C(C)[C@H](O)CCC(=C)[C@H]1CC[C@@](C)(O)[C@H]1C
| 1
|
C47H61N3O7S2
|
CC[C@]12C#C[C@H]3C=C4CCC5=CC(O)=C(O[C@H]6C[C@@H](CC7=CC=CN7)C7=CC=NC(N)=C7CSSC[C@H](CO)[C@@H]6O)C=C5[C@@H]4C[C@@H](O)[C@@H]3[C@@H](OCCO)[C@H](CCC1)CC2
| 1
|
C21H20O7
|
COC1=C(C2=CC=C(O)C(O)=C2CC=C(C)C)OC2=CC(O)=CC(O)=C2C1=O
| 1
|
C57H110O6
|
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC
| 1
|
C17H25N5O4
|
CC(C)(O)C[C@H]1[C@@H](CNC2=CC(=O)CCC2)C1(C)C
| 0
|
C56H90O29
|
C[C@@H]1CO[C@]2(C[C@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)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]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O)[C@H](O)[C@@H]6O)[C@@H](O)C[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@H]1[C@@H]2C
| 1
|
C14H27N3O10
|
NC(CC(O)C(N)CC(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O)C(=O)O
| 1
|
C59H94O6
|
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
| 1
|
C12H20O3
|
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC
| 0
|
C19H12O6
|
CCCCCC1=C[C@]2(O)[C@H](OC3=CC4=C(C(=O)CC(C5=CC=C(OCC[C+]6C=CC(N)=N6)C=C5)=[O+]4)C(O)=C3OCC3=CC(O)=CC(CC)=C3)O[C@H](C(=O)O)[C@](O)([C@H]1C1=NC=NC1)[C@H]2O
| 0
|
C25H48N2O5
|
COC[C@@]1(O)[C@H](CO)[C@@H]2C[C@H]3CCC[C@]2(C)[C@]31C
| 0
|
C47H79N9O8
|
CC[C@@H](C)[C@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CCCCN)NC1=O
| 1
|
C27H24N2O6
|
CC1=COC2=C1C(C)=CC1=C2C(C)=C(CC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)O)C(=O)O1
| 1
|
C15H16N2O4
|
COC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)C2=CC=CC=C21
| 1
|
C26H38O2
|
C=C1CC[C@@H]([C@@H](C)CC/C=C(\C)C(=O)OC)[C@@H]2[C@@H]3[C@@H]4C(=CCC[C@]34C)CC[C@H]12
| 1
|
C28H36O6
|
CCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC
| 0
|
C77H148O17P2
|
COC1=CC(CC[C@H](C[C@@H](OC(C)=O)[C@H]2CCCCC[C@@H](CC(C)C)C2)OC(C)=O)=C(C2=CC=NC(N)=C2)C=C1O
| 0
|
C30H40O8
|
O=C1NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
| 0
|
C70H84N6O16
|
CC1=C[C@]23[C@H](COC(=O)[C@]2(O)CO)C(C(=O)O)=C[C@@H]3[C@@H]1C
| 0
|
C28H24O8
|
O=C1C=C[C@H](O)[C@H]([C@H](O)[C@@H](C2=CC=CC=C2)C2=C(O)C=C3O[C@H](C4=CC=CC=C4)CC(=O)C3=C2O)O1
| 1
|
C29H37NO4
|
COC1=CC=C(CC(=O)C(=O)O)C=C1
| 0
|
C25H40N2O
|
O=C(OCC1=C[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@H]2[C@@H]1O)C1=CC=C(O)C=C1
| 0
|
C28H32O11
|
COC1=CC=C(C2=C(O)C(OC)=C(C3=CC=C(OC)C=C3)C(O[C@@H]3O[C@H](CO)[C@@H](O)C(O)[C@H]3O)=C2OC)C=C1
| 1
|
C27H34O6
|
CCCC(=O)C1=C(O)C(C)(C)C(O)=C(CC2=C(O)C(CC3=C(O)C(C)=C(OC)C(C(=O)CCC)=C3O)=C(O)C(C(=O)CCC)=C2O)C1=O
| 0
|
C17H22N2O5
|
COC1=CC=CC2=C1OC(=O)C(C1=CC=C(OCC(=O)N3C[C@@H]4C[C@H](C3)C3=CC=C([N+](=O)[O-])C(=O)N3C4)C=C1)=C2
| 0
|
C19H18ClN3O5
|
CCCCC/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
| 0
|
C24H30O11
|
C[C@@H](O)[C@@](O)(CC1=CC=C(O)C=C1)C(=O)OCC1=CC=C(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C=C1
| 1
|
C22H18N2O5
|
CC[C@@]1(OC(C)=O)C(=O)OCC2=C1C=C1C3=NC4=CC=CC=C4C=C3CN1C2=O
| 1
|
C22H34O5
|
C=C1C2=CC[C@@H](C)C/C=C/C(=C)[C@@H]3CC[C@@](C)([C@H]13)[C@@H](O)[C@@H]2O
| 0
|
C17H20O6
|
CN(C)C(=O)CN1[C@@H]2CN(CC3=NC=CN3C)C[C@@H]2OCCS1(=O)=O
| 0
|
C69H120N12O20
|
NC(N)C1=CC2=C3C=C1CSSCC14CC5CC[C@]1(O)C[C@@](/C=C\C(=O)CCC1=CC(=C(O)C=C1)OCCC1=CC(=C(O)C=C1)[C@@H]3CC(=O)C1C=CN=C1CC#C2)(C4)[C@H]5CCC[C@H](O)CO
| 0
|
C54H76N2O7
|
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C
| 0
|
C13H7ClO
|
COC(=O)[C@@]12OC3=CC=C(C4=CC=C5O[C@@](C(=O)OC)([C@H]6OC(=O)C[C@@H]6C)CC(=O)C5=C4O)C(O)=C3C(=O)C1=C(O)C[C@H](C)[C@H]2O
| 0
|
C13H24O2
|
OC[C@H]1O[C@H](OC2=CC=CC3=NC4=C(O)C=CC=C4N=C23)[C@@H](O)[C@@H]1O
| 0
|
C27H30O14
|
C[C@@H]1O[C@@H](C2=C(O)C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)[C@H](O)[C@@H](O)[C@H]1O
| 1
|
C19H23ClO
|
C[C@@]12CCCC[C@@H]1C[C@](O)(C#CC1=CC=CC=C1Cl)CC2
| 1
|
C19H27O10P
|
CC1=CC2=NC(C3=CC=C(I)C([N+](=O)[O-])=C3)=CN2C=C1
| 0
|
C32H48O4
|
CCC[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)O
| 0
|
C33H54O9
|
C[C@@H]1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
| 1
|
C17H22N4O
|
CN1C2=NC=CC=C2CN(CC2=CC=CN=C2)CC[C@H]1CO
| 1
|
C14H18O6
|
COC(=O)C[C@H](O)[C@H]1O[C@@H](C2=CC=CC=C2)[C@@H](O)[C@H]1O
| 1
|
C24H28ClN3O6
|
COC1=CC(OC)=C2C(=O)[C@@]3(OC2=C1Cl)C(=O)C=C(NCCCC1=NC(C(C)C)=NO1)C[C@H]3C
| 1
|
C11H15NO3
|
COC1=CC=CC(/C=C2\OC3=CC(OCC(=O)N[C@@H](CO)C(=O)O)=CC=C3C2=O)=C1
| 0
|
C25H35N5O7
|
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCC
| 0
|
C26H33ClO11
|
C[C@@H]1C[C@H]2[C@@H](C=C[C@@H]3[C@H]4C/C=C\C(=O)NCC[C@H](O)[C@@H]5NC(=O)/C(=C(\O)C=C[C@@H]4C[C@@H]32)C5=O)[C@@H]1C(=O)CO
| 0
|
C38H74O5
|
CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCCCCCCCCC
| 1
|
C93H99NO5
|
COC1=CC2=C(C=C1OC(C)=O)OC(=O)CC2
| 0
|
C14H18O5
|
COC1=CC=C([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3O)C=C1OC
| 1
|
C18H25ClN4O3S
|
CN(C)CCNC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N/C(=N\C3=CC=C(Cl)C=C3)S[C@@H]21
| 1
|
C15H20O2
|
CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
| 0
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.