formula
stringlengths 2
21
| smiles
stringlengths 4
474
| label
int64 0
1
|
|---|---|---|
C17H15N3OS
|
N#C[C@@H]1C(=S)N[C@@]2(C(=O)NC3=CC=CC=C32)C2=C1CCCC2
| 1
|
C20H26O7
|
C=C1C(=O)O[C@@H]2C3[C@@]4(C)C=C[C@@]3(OO4)[C@](C)(OC(=O)CC(C)C)[C@H](O)C[C@@H]12
| 1
|
C25H35NO4
|
COC1=CC=C([C@@H](CN(C)C)OC)C=C1OC
| 0
|
C22H28O8
|
COC1=CC=C2C3=C(OC2=C1O)C1=CC=C(O)C(O)=C1OC3
| 0
|
C35H62O13S.Na
|
COC[C@H]1O[C@H](OCC[C@@H](CC[C@@H](C)[C@H]2[C@@H](O)[C@H](O)C3[C@]4(O)C[C@H](O)C5C[C@@H](O)CC[C@]5(C)C4CC[C@@]32C)C(C)C)[C@@H](OS(=O)(=O)[O-])[C@@H]1O.[Na+]
| 1
|
C15H18O6
|
COC1=CC(O)=C2C(=O)C[C@@]3(O)C[C@](C)(OC)O[C@H]3C2=C1
| 1
|
C28H44O6
|
COC(=O)C1=CC=C[C@H]2[C@@]13CC[C@@H](C)[C@@]2(CCC1=COC=C1)C(=O)OC3
| 0
|
C22H30O8
|
CC(=O)OC[C@]1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](C[C@@H](O)[C@H]3[C@]23CO[C@@H](O)[C@H]13)[C@@H](C)C4=O
| 1
|
C19H20N4O4S
|
C1=CC=C(CO[C@H]2CO[C@@H]3[C@@H]2OC[C@@H]3N2N=NN=C2SCC2=CC=CO2)C=C1
| 1
|
C34H32N2O5
|
COC1=CC2=C3C4=C1OC1=CC5=C(C=C1O4)[C@H](CC1=CC=C(O)C(=C1)OC1=CC=C(C=C1)C[C@H]3N(C)CC2)NCC5
| 1
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C23H34O17
|
O=C(NC1=NC=CS1)C1=CC=CC(CN2C(=O)N(CC3=CC=CC(C(=O)NC4=NC=CS4)=C3)[C@H](CC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@H]2CC2=CC=CC=C2)=C1
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C20H22O2
|
CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
| 0
|
C23H28N2O7
|
CC(=O)N1CC2(CN(CC3=CC=CC=C3)C[C@@H]3C[C@@H](O)CN32)C1
| 0
|
C55H90O6
|
COC(=O)[C@@](O)(C1=CC2=C(C(=O)C3=C(C=CC([C@H]4C[C@](C)(N)[C@@H](O[C@@H]5C[C@@H](OC)[C@H](O)[C@@H](C)O5)[C@H](C)O4)=C3O)C2=O)C2=C1C(=O)C=C([C@]1(C)O[C@H]1C)O2)[C@@H]1O[C@@H](C)[C@H](O)[C@H](OC)[C@H]1O
| 0
|
C59H108O5
|
COC1=CC=C([C@@H]2CC(=O)C3=C(O)C(C)=C(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@](O)(CO)[C@@H]5O)[C@@H](O)[C@H](O)[C@@H]4O)C(C)=C3O2)C=C1
| 0
|
C30H50O4
|
CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)[C@@](C)(CO)[C@@H]4CC[C@]23C)O1
| 1
|
C23H30O9
|
C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/C(=O)OC)[C@@H](OC(C)=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12
| 1
|
C15H24O
|
C=C(C)[C@H]1CC[C@]2(C)CCCC(=C)[C@]2(O)C1
| 1
|
C4H5NS
|
N#CC[C@H]1CS1
| 1
|
C16H26N2O2
|
CO[C@@H]1CCN2C[C@H]3C[C@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1
| 1
|
C36H54O12
|
CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H]6OC(=O)[C@](CO)([C@@H]5CC[C@]43C)[C@H]6O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2C1
| 1
|
C17H19NO5
|
CO[C@@H]1C=C[C@@]23C4=CC5=C(C=C4[C@@H](O)N(C[C@H]2O)[C@@H]3C1)OCO5
| 1
|
C65H112O6
|
COC1=CC=C2C(C)=C(CC(=O)NC3=CC=C4NC=CC4=C3)C(=O)OC2=C1
| 0
|
C13H12O4
|
CC(=O)OC1=CC=C2OC(C)=C(C(C)=O)C2=C1
| 1
|
C20H16O6
|
O=C1C[C@@H](O)[C@H]2C3=CC=C(O)C4=C3[C@@](O)(CCC4=O)C3=C2C1=C(O)C=C3
| 1
|
C30H48O4
|
C=C1CCC(=O)[C@@H](C)CC[C@@H]2[C@H]1C[C@]2(C)O
| 0
|
C52H44N6O6S2
|
COC1=CC=C(C(C2=C(O)N(C3=CC=CC=C3)C(=S)N(C3=CC=CC=C3)C2=O)C2=C(O)N(C3=CC=CC=C3)C(=S)N(C3=CC=CC=C3)C2=O)C=C1CN1C[C@@H]2C[C@H](C1)C1=CC=CC(=O)N1C2
| 1
|
C34H43NO8
|
COC(=O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C1=CC=CC=C1
| 1
|
C37H60N6O6
|
COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](OC)[C@H](O)[C@H]2O)C=C2OC(C3=CC=C(O)C=C3)=CC(=O)C2=C1O
| 0
|
C61H98O29
|
CC(=O)OC1O[C@@H](O[C@@H]2C(CO)O[C@@H](OCC3O[C@@H](OC(=O)[C@]45CCC(C)(C)CC4C4=CCC6[C@@]7(C)CC[C@H](O[C@@H]8OC(CO)[C@@H](O)C(O)[C@@H]8O[C@@H]8OC(CO)[C@@H](O)C(O)[C@@H]8O)C(C)(C)C7CC[C@@]6(C)[C@]4(C)CC5)[C@@H](O)C(O)[C@@H]3O)[C@@H](O)C2O)[C@@H](O)C(O)[C@H]1O
| 1
|
C20H36O3
|
C[C@@H](CC[C@H]1[C@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)O)CC(=O)O
| 1
|
C14H27NO10S3
|
COC1=CC=C(C2=NOC([C@H](C)O)=C2C(=O)NCCN2CCOCC2)C=C1
| 0
|
CH4O2
|
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)O)(C2=CC=CC=C2)CC1
| 0
|
C29H42O10
|
CC[C@H](C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1CC[C@@H](O)[C@]21CO1)C1=CC(=O)OC1
| 1
|
C24H27NO4
|
CCOC(=O)C1=C(C2=CC=CC=C2)OC2=CC=C(O)C(CN3CCCC[C@@H]3C)=C12
| 1
|
C20H26O4
|
OC1=CC=C2C(=C1)O[C@@H]1C3=CC=C(O)C(O)=C3CO[C@H]1[C@H]2C1=CC2=C(C=C1O)O[C@@H](C1=CC=C(O)C(O)=C1)[C@@H](O)C2
| 0
|
C15H22O2
|
COC1=CC2=C(C3=C1C(=O)CC(C1=CC=C(O)C=C1)O3)[C@@H]1C[C@H](CCC3=CC=C(O)C=C3)O[C@@H]1O2
| 0
|
C52H67NO9
|
CN[C@@H]1CC2=C(C#CCC[C@]34CC[C@H]5[C@@](O)(C[C@H]6C[C@H]7[C@H](C=CC[C@@H]7C7CCCC7)C[C@H]7[C@@H](O)CC[C@@]5(C=O)[C@]67O)[C@@]3(O)C[C@@H]3C[C@@H]1[C@H]1OC(=O)C=C1[C@@]34CO)C=CC=C2CO
| 1
|
C22H22O9
|
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C=C1)C(=O)OC1=CC=C2C=CC(=O)OC2=C1
| 0
|
C14H12O
|
CC(=O)O[C@@H]1CC2C(C)(C)C(=O)C=C[C@]2(C)C2CC[C@@]3(C)[C@H](C4=COC=C4)OC(=O)C4OC43[C@@]21C
| 0
|
C17H22N2O2
|
CC(/C=C/C(N)=O)=C\[C@@H](C)C(=O)C1=CC=C(N(C)C)C=C1
| 1
|
C15H24O
|
C[C@@H]1O[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3[C@H](C)O[C@@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)C[C@@H]3O)C[C@@H]2O)C[C@H](O)[C@@H]1O
| 0
|
C24H18ClNO3
|
CC1=CC=C(C(=O)C2=C(C)C3=CC(NC(=O)C4=CC=CC=C4Cl)=CC=C3O2)C=C1
| 1
|
C28H33N3O2
|
O[C@@H]1CN2CC/C=C\C/C=C\C/C=C\CCC3=CC4CN5CCCC/C=C\CCC(C2)(C41)C35
| 0
|
C14H16N2O6
|
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
| 0
|
C21H21ClN2O8.ClH
|
CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=CC(Cl)=C4[C@@H](O)[C@H]3C[C@@H]12.Cl
| 1
|
C48H84NO8P
|
CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
| 1
|
C34H42O18
|
CC(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(C)=O)[C@@H]3[C@@]3(CO)O[C@@H]23)[C@@H]1OC(=O)/C=C/C1=CC=C(O)C=C1
| 1
|
C10H14O2
|
CC1(C)[C@@H]2C[C@H]1C(=O)C=C2CO
| 1
|
C37H42O10
|
C=C1C[C@H]2O[C@@H]2[C@]2(CC[C@@H]3C([C@@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]13)CO2
| 0
|
C22H21NO8
|
CC1=C(CC(=O)N(CC(=O)O)CC(=O)O)C(=O)OC2=CC3=C(C=C12)C1=C(CCCC1)O3
| 1
|
C29H30O8
|
COC1=CC([C@H]2OC3=C(C=CC4=C3C[C@@H](CCO)C3=CC(O)=CC(OC)=C43)[C@@H]2COC(C)=O)=CC=C1O
| 1
|
C21H20O10
|
COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)[C@]4(C)CO)[C@]3(C)CC[C@]12C
| 0
|
C15H26O2
|
CC1=C[C@@H](C)[C@]2(CO[C@H](C(C)C)OC2)[C@@H](C)C1
| 1
|
C25H26O13
|
O=C1C=C(C2=CC=C(O)C=C2)OC2=C([C@@H]3OC[C@H](O)[C@H](O)C3O)C(O)=C([C@@H]3OC[C@@H](O)[C@H](O)C3O)C(O)=C12
| 1
|
C52H73N5O8S2
|
COC1=CC=C(N2COC3=CC=C4C(C)=CC(=O)OC4=C3C2)C=C1
| 0
|
C70H90N4O6
|
CNCC[C@]1(C)C(=O)[C@H]2C3=C(NC=C3)[C@H]3CC[C@@]2(C3)[C@]2(C)[C@H]1CC[C@]13CC#CC[C@H]4CC5=CNC6=C5N(C=C6CC5=CC(C6CCCCC6)=CC(C6CCOCC6)=C5)C[C@@H](C5=C(C(=O)C[C@@]51C)[C@]4(C)C[C@@H](O)[C@H]1OC1(C)C)[C@@H](O)[C@@H]32
| 1
|
C21H27NO6
|
CC(=O)OC1=CC(CO)=C2C(=O)C3=C(O)C(CC4=CC=CC(C(N)N)=C4C=O)=C(O[C@H]4O[C@@H](C)[C@@H](O)C(O)(O)[C@H]4O)C=C3C(=O)C2=C1/C=C\C1=CC=CC=C1
| 0
|
C11H16O5
|
CO[C@@]12C[C@]3(C)O[C@H]4O[C@]3(O)C[C@@H]1C4CO2
| 1
|
C17H14ClNO3
|
CC1=C(N)N=C([C@@H](CC(N)=O)NC[C@H](N)C(N)=O)N=C1C(=O)N[C@@H](C(=O)N[C@H](C)[C@H](O)CC(=O)N[C@H](C(=O)N[C@H](O[C@@H]1O[C@H](C)[C@@H](N)[C@@H](O)[C@H]1O)[C@H](O)C1=NC(C2=NC(C(=O)NCCC[C@H](N)CC(=O)NCCCNCCCCN)=CS2)=CS1)[C@H](C)O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@H]1O)C1=CN=CN1
| 0
|
C45H52O15
|
CCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]34CO[C@@](C)([C@@H](OC(=O)C5=CC=CC=C5)[C@@]2(OC(C)=O)C[C@@]1(C)OC(=O)C1=CC=CC=C1)[C@@H]3[C@@H](C(C)(C)OC(C)=O)C=C[C@H]4OC(C)=O
| 1
|
C39H76O5
|
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCCCCC
| 1
|
C16H29N3O6S
|
COC1=CC2=C(C=C1O)CCC1=CC(OC)=C(OC)C(O)=C12
| 0
|
C12H18N2O5
|
COC1=CC(C2=C(OC)C(=O)C3=C(O)C(OC)=CC=C3O2)=CC=C1O
| 0
|
C24H19NO6
|
COC1=CC=CC2=C1OC(=O)C(C1=CC=C(OCC(=O)NC3=CC=CC(O)=C3)C=C1)=C2
| 1
|
C9H7I4NO3
|
N[C@@H](CC1=C(I)C(I)=C(O)C(I)=C1I)C(=O)O
| 1
|
C19H25N3O3
|
C=C1C2=CC(OC)=C(OC)C=C2C[C@@H]2N1C(=O)[C@@H](C)N1C(=O)C3=CC=CC=C3[C@]21O
| 0
|
C26H44O9
|
CC1(C)C(OC2OC(C(=O)[O-])C(O)C(O)C2OC2OC(C(=O)[O-])C(O)C(O)C2O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C.[K+].[Li+].[Li+]
| 0
|
C24H28N4O4S
|
C=C[C@@](C)(CC/C=C(/C)CCC[C@H](C)[C@@H](O)C(=O)C=C(C)C)OC1=CC=C(O)C=C1CC(=O)OC
| 0
|
C15H12N2O2
|
CC1=CC=CC=C1NC1=NC2=CC=CC=C2C(=O)O1
| 1
|
C47H47N7O7S2
|
CC(=O)O[C@H]1C[C@@H](C)[C@](C)([C@@H]2C[C@H]3C=CO[C@@H]3O2)[C@H]2CCC[C@]3(CO3)[C@]12COC(=O)C[C@H](C)OC(=O)C[C@H](C)OC(=O)C[C@H](C)O
| 0
|
C29H22O14
|
O=C(OC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)=C3)OC2=C1)C1=CC(O)=C(O)C(O)=C1
| 1
|
C54H74O7
|
CC(=O)O[C@@H]1C[C@]2(C)C=C[C@](O)(CC[C@H](C)CCCC3=CC=CC=C3)[C@]3([C@@H]1[C@](C)(C1CCC4(CC1)CC[C@H](CCC1=CC=CC=C1)C4)CC[C@@H]3O)[C@@]2(O)CCC1=CC(=O)OC1
| 1
|
C28H33NO8
|
CC1=NN(CNC2=CC=C(C(=O)O)C=C2)C(C)=C1
| 0
|
C15H20O9
|
CC(C)[C@H]1CC[C@](C)(O)[C@H]2CC[C@@](C)(O)C[C@H]12
| 0
|
C11H19N3O2
|
CCOC1=CC=C(C2=CC3=CC(Br)=CC=C3OC2=O)C=C1OCC
| 0
|
C17H22O4
|
C=C(C)CCC[C@]1(C)OC(=O)[C@]23CC=C4C(CCC5C(C)(C)[C@@H](O[C@@H]6OC[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]7OC[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]2(C)CC(=O)C31
| 0
|
C17H19NO3
|
CO/C=C(C(=O)OC)\C(C)=C/C=C/C1=CC=C2OC[C@@]3(OC2=C1)O[C@@H](C=C(C)C)OC3(C)C
| 0
|
C20H28O9
|
CO[C@@H]1[C@@H]2OC(=O)[C@@H]([C@@H]2C(C)(C)O)[C@]2(O)[C@H]3O[C@H]3[C@]3(C[C@@H]([C@@H](C)O)C(=O)O3)[C@]12C
| 1
|
C29H50O3
|
CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
| 1
|
C49H55N3O7
|
COCNC1=CC2=C3CO[C@@H](CCC[C@@H](C)C#C2)C[C@H](O)CCC2=C(CO)C=C(O)C(=C2)OCC2=CC([C@@]45CCOC[C@H]4CCC4=CC=CC=C45)=CC4=CN(C=C24)C3=N1
| 1
|
C24H29ClN4O2S
|
C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)C(C)CC)[C@]2(CO)[C@H](O)[C@H](O)[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](O[C@@H]7OC[C@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C
| 0
|
C8H14N4O5
|
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C
| 0
|
C17H24O10
|
C/C=C1\COC(=O)C[C@@H]1/C(=C\O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)OC
| 1
|
C59H114O6
|
C[C@H]1C(=O)C[C@H]2C[C@@H]1C2(C)C
| 0
|
C60H116O6
|
OC1=CC2=C(C=C1C1=C(C3=CC=C4OCOC4=C3)OC3=CC4=C(C=C13)OCO4)OCO2
| 0
|
C23H37N5O2
|
COC(=O)[C@@H]1[C@H]2C[C@H]3C4=C(CCN3C=C2C(C)=O)C2=CC=CC=C2N41
| 0
|
C17H19N3O4S
|
CC(C)CNC(=O)CC1=CSC(NC(=O)C2=CC=C3OCOC3=C2)=N1
| 1
|
C21H27N5O4
|
CNCC1=CC(O)=CC([C@@H](CC2=CC=C(O)C(OCNC[C@H](C)O)=C2)C(=O)C[C@@H](O)[C@H](CC2=CN=CC2)CC2=CC=C(O)C(OC)=C2CC2=CC=CC3=CC=CC(CCO)=C23)=C1
| 0
|
C15H23NO8
|
C[C@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)O
| 1
|
C15H24O4
|
CCCC1(O)C(O[C@H]2CC[C@H](O[C@H]3CC[C@@](O)(C(C)=O)C(C)O3)C(C)O2)C(O)C(O[C@H]2C[C@@H](O)[C@@H](O)C(C)O2)C2CC3=CC4=C(OC)C(OC)=C(C5=C(OC)C(=O)C6=C(O)C7=C(C(=O)C8(O)C9C7OC8(CCC)C(O[C@H]7CC[C@H](O[C@@H]8CC[C@H](O)C(C)O8)C(C)O7)C(O)C9O[C@H]7C[C@@H](O)[C@@H](O)C(C)O7)C(O)=C6C5=O)C(O)=C4C(O)=C3C(=O)C21O
| 0
|
C15H18O4
|
O=C(O)[C@@H]1CS[C@H](C2=CC=CC(Br)=C2)N1
| 0
|
C36H56O13
|
C[C@@H]1CC[C@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](CO)(C(=O)O)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O
| 1
|
C19H16NO4
|
C1=C[C@@H]2OCO[C@@H]2C2=C[N+]3=C(C=C12)C1=CC2=C(C=C1CC3)OCO2
| 1
|
C16H17NO2
|
CCC1=CC=C(NC(=O)C2=CC=C(OC)C=C2)C=C1
| 1
|
C30H26O12
|
OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)[C@H]2C1=C(O)C=C2O[C@H](C3=CC=C(O)C(O)=C3)[C@@H](O)CC2=C1O
| 1
|
C44H43N3O13
|
CC(=O)O[C@H]1[C@@H]2C3=C(C=CC4=C3O[C@@H](C3=CC=CC=C3)CC4=O)O[C@@H]2OC1(C)C
| 0
|
C21H39NO3
|
CC(C)=CCC1=C(O)C(=O)C2=CC=CC=C2C1=O
| 0
|
C6H5N3O
|
CC[C@H](C)[C@@H]1NC(=O)/C(=C/C2=CC=CC=C2Cl)NC1=O
| 0
|
C10H12ClNO
|
CCOC(=O)[C@H](NC1CC1)C1=CC=C(Cl)C=C1
| 0
|
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