formula
stringlengths 1
25
| smiles
stringlengths 1
660
|
|---|---|
C23H27N3O3S
|
CCCCOC(=O)C1=CC=C(NC(=S)N2C[C@@H]3C[C@H](C2)C2=CC=CC(=O)N2C3)C=C1
|
C72H101N5O6S2
|
CNC[C@@H]1CC[C@@]2(CC[C@@]3(C[C@@H]4CC[C@H]3CSS[C@@]3(CCCC35CCCC5)N/C(N)=N/C[C@@H]3CC[C@@H](C5=CC=CC=C5)[C@]35CC(=O)N(CC3=C(O)C6=C(C(=C3)CC[C@]3(OC(C)=O)CC[C@@H]4[C@H](O)C3)[C@H]3C=C[C@@]4(CCC[C@@H]4C3)O6)C5)C23CCCC3)C1
|
C22H22N6O
|
CNC1=CC=C(C2=NOC([C@@H]3CCCN3CC3=CN=C4C=CC=CC4=C3)=N2)C=N1
|
C36H28Cl2N6O4
|
CC[C@H](C)[C@@H]1NC(=O)[C@@H](N)CC2=CC3=C(C=C2)O[C@H]2NC4=CC5=CC=C4[C@@]32C2=C(N=C1O2)C1=NC(Cl)=C(O1)C1=C(Cl)NC2=C1C5=CC=C2
|
C21H30N2O5S
|
O=C(O)C[C@@H]1CCN(C(=O)CC2=CC=CS2)C[C@@H]1CCN1CCC(C(=O)O)CC1
|
C52H85N9O16
|
CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]([C@@H](O)[C@H](O)CO)OC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC1=O
|
C28H21ClN4O3
|
O=C1[C@@H]2C(CC3=CNC4=CC=CC=C34)NC3(C(=O)NC4=C(Cl)C=CC=C43)[C@@H]2C(=O)N1C1=CC=CC=C1
|
C37H38O6
|
CCC/C=C1\OC(=O)C2=C(C3=CC(O)=CC=C3C3=CC=CC=C3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C[C@H](C)CO)OC2=O
|
C25H30ClN3O2
|
CC1(C)CN(C(=O)C2=CC=C(Cl)C=C2)C[C@@H]2CN(C(=O)CCC3=CC=CC=C3)CCN21
|
C28H50O
|
CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
C32H34O7
|
COC1=CC([C@@H]2CC(=O)C[C@H](O)[C@H](CC3=CC=C(O)C(O)=C3)CC#C[C@@H]2CC2=CC=CC=C2)=C(CO)C=C1O
|
C38H38O10
|
C=C(C)[C@@]12O[C@@]3(C4=CC=CC=C4)O[C@@H]1[C@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/C1=CC=CC=C1
|
C49H71NO10
|
CCC1=CNC=C1CC[C@]12[C@@H]3CC[C@@H]4C=C5[C@@]67C=CC[C@@](C)(C[C@@H](COC)[C@]6(C(=O)O)CC[C@@]5(C)[C@](C)(CC[C@H]1C(C)(C)[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C3)[C@H]42)C7
|
C6H7ClN2
|
CC1=CC=C(N)C(Cl)=N1
|
C45H58ClN7O10
|
CC[C@@H](C)C1NC(=O)[C@H](NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)CCCCNC(=O)[C@H](CCC2=CC=C(O)C(Cl)=C2)NC(=O)CN(C)C(=O)[C@H](CCC2=CC=C(O)C=C2)NC1=O
|
C47H74N2O11
|
CC(=O)O[C@@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1(CC2=CC=C(O)C3=C2C[C@H](C2(CO)CCCC2)CO3)CCNCC1)[C@@H](CC[C@H](O)CCCO)CC[C@H](C)O
|
C32H41N5O4
|
CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N1C(=O)[C@@H](NC(=O)[C@@H]1C=C2C3=CC=CC4=C3C(=CN4)C[C@H]2N(C)C1)C(C)C
|
C12H9BrN4
|
NC1=NC=CC(C2=CC3=CC(Br)=CC=C3N2)=N1
|
C44H77O10P
|
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@@H](O)CO
|
C37H57N5O5S2
|
C=C1C[C@@H](O)[C@@H](C)[C@H]2C[C@H](CSSC[C@@H](N3C=CN=C3)CC1(C)C)[C@@]1(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@@H](CN=C(N)N)C[C@]21C
|
C16H13N3OS
|
N#CC1=C2CCC[C@H]2[C@@]2(NC1=S)C(=O)NC1=CC=CC=C12
|
C27H38O4
|
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C
|
C23H34N2O6
|
CC(CNC(=O)C12CC[C@](C)(C(=O)O1)C2(C)C)NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C
|
C18H35NO7
|
O=C(CCCO)CCCC[C@H](O)CCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
|
C70H136O6
|
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCCC(C)C
|
C25H25N3O2S
|
CSC1=CC=C(C2=C3[C@@H]4C[C@@H](CN(C(=O)NC5=CC=CC=C5)C4)CN3C(=O)C=C2)C=C1
|
C11H17NO.HI
|
C[N+](C)(C)CCC1=CC=C(O)C=C1.[I-]
|
C41H46O9
|
COCCC[C@H]1OC2=CC=C(OC)C=C2[C@H](O)[C@@H]1[C@H]1COC2=C(CC3=CC(O)=CC=C3C3=CC=CC(O)=C3)C=C(OC3CCCC3)C=C2[C@H]1O
|
C26H27ClN2O7
|
COC1=CC=C2C(C)=C(CC(=O)N[C@@H](CC3=CC=C(Cl)C=C3)C(=O)NCCC(=O)O)C(=O)OC2=C1C
|
C17H22N2O6S2
|
CC1(C)SCCN(S(=O)(=O)C2=CC=C(OCC#CCO)C=C2)[C@H]1C(=O)NO
|
C27H22ClN3O7
|
COC1=CC(OC)=C2C(=O)[C@@]3(OC2=C1Cl)C(=O)C1=C(C[C@H]3C)NC2=C(C(=O)NC(=O)N2)C1C1=CC=CC=C1
|
C22H22N4O4S
|
CC1=CC=C(S(=O)(=O)CC2=NOC([C@@H]3C[C@@H](O)CN3CC3=CC=CC(C#N)=C3)=N2)C=C1
|
C24H24N2O7S
|
COC1=CC=C(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NS(=O)(=O)C2=CC=C3C=CC=CC3=C2)C=C1
|
C20H23N5O4S
|
C=C(C)[C@@H](NC1=C(/N=C2\C=CC=C(C(=O)N(C)C)C2=O)N[S+]([O-])N1)C1=CC(C)=CO1
|
C18H23ClN2O
|
CC[C@]12CN3C[C@](CC)(C[N@@](C1)[C@@H]3C1=CC=C(Cl)C=C1)C2=O
|
C14H21BrN2O2S
|
CC(C)C1=C(C(=O)N[C@H]2CCOC(C)(C)C2)N=C(Br)S1
|
C55H71N9O5
|
CCN[C@@H]1C=C2C=CC[C@@H]3CCCC[C@](C)(CC4=CC=C(N)N=C4)CC4=CC=CC5=C4C(=O)[C@]4(O[C@@]4(C/C=C(\C)C[C@]4(C6=CC=NC(NCNC)=C6)CCCN=C(NC)N4)C5=O)C(=O)OC[C@@H]1C[C@H]23
|
C40H45N3O8S
|
NC(N)=N[C@@]1(CCCO)OC2=CC=C(C=C2)CC[C@@H](S(=O)(=O)O)[C@H]2C=C3C[C@@H](CC4OC3C3=CC=C(O)C=C3C#CC[C@@H]4CO)[C@H]2C2=CC=C1C=C2
|
C38H36O10
|
[2H]C([2H])([2H])OC1=CC=C(C2=C3C=C(OC)C(OC([2H])([2H])[2H])=C(OC)C3=C3C=C4C=C(OC([2H])([2H])[2H])C(=O)C=C4OC3=C2CC2=CC=C(OC)C=C2OC)C=C1OC([2H])([2H])[2H]
|
C58H102O21
|
CCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@@H](OC(=O)CCCCCCC)[C@H](O[C@@H]3[C@@H](O)[C@H]4OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H]3C)O[C@H]2C)O[C@H]1C
|
C24H34N8O2
|
CN1[C@@H](CCC(=O)N2CCN(C3=CC=CC=N3)CC2)CNC(=O)[C@@H]2[C@H]1CCN2CC1=NC=CN1
|
C43H51N6O11
|
CCC1=[N+](C2=C3O[C@](CCNC)(CC[C@@H]4CNC(=O)C4)[C@H](OOC[C@H](O)[C@](O)(C[N+]4=CC=C5N=CC=C54)[C@H](O)[C@H](O)CO)CC3=CC3=C2OC(C)=CC3=O)C=C2N=CC=C21
|
C38H48Cl2N2O15
|
CO[C@@H]1[C@H](O[C@@H]2CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)CO[C@H]3N3C(=O)/C(=C(O)/C=C/C=C/C=C/C=C/C=C(Cl)/C=C/C=C(/C)Cl)C(=O)[C@@H]3CC(N)=O)[C@@H](O)[C@@H]2O)O[C@H](C)[C@H]1O
|
C24H15N3O5
|
CC1=C(O)C=CC2=C1OC1=C(C3=CC=C(C4=CC=CC(C(=O)O)=C4)O3)C3=C(N=C12)NN=C3
|
C15H24N2OS
|
S=C(N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)N1CCOCC1
|
C22H28N4O4S2
|
O=C(NC1CCCCC1)N1C[C@@H]2C[C@H](C1)C1=C(NS(=O)(=O)C3=CC=CS3)C=CC(=O)N1C2
|
C12H15N2O7P
|
O=P(O)(O)OC[C@H]1O[C@H](N2C=NC3=CC=CC=C32)[C@H](O)[C@@H]1O
|
C23H18O12
|
COC1=CC(C(=O)OC2=C(O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C(=O)[C@@H]3O)C=C2O)=CC(O)=C1O
|
C25H50O7
|
CCCCCCC(C)CCCCCCCCCOC[C@H](O)COC1[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
|
C26H45NO9S2
|
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](S(=O)(=O)O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
|
C20H29N3O4.ClH
|
C[C@@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)CC1.Cl
|
C22H22O4S
|
CCCC1=CC2=C(C=C1OC)OC(C)=C(C1=CC=C3OCCOC3=C1)C2=S
|
C37H37ClN4O11
|
COC1=CC(OC)=C2C(=O)[C@@]3(OC2=C1Cl)C(O)=C(C(CC(=O)NCCC1=NC(C2=CC=CC=N2)=NO1)C1=CC(OC)=C(OC)C(OC)=C1)C(=O)C[C@H]3C
|
C37H53NO8S
|
C=C(C(=O)N[C@H](C(=O)O)C1=CC=C(OC)C=C1)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C
|
C21H13ClN2O2
|
C=C(Cl)COC1=CC=C2C(=C1)C1=CC=NC3=C1N2C(=O)C1=CC=CC=C13
|
C52H50O8
|
CC(C)=C1CCC2=CC=C3C(=C2)CC#CCC2(C)OC4=CC=C5C(CO)=CC(=O)OC5=C4[C@@H](OC(=O)C[C@H]4C[C@@H](C5=CC=CC(CC6=CC=CC=C6)=C5)CC[C@H]34)[C@@H]2OC1=O
|
C33H45N3O3
|
C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@]12C[C@H]3C(=O)N(C)[C@@H](C(C)C)C(=O)N3[C@@H]1N(C=O)C1=CC=CC=C12
|
C49H65N3O5
|
CCC/C=C/C(=O)CCC1=CC(OC2CCCC2)=C(O)C2=C1C#CC[C@H](N=C(N)N)C[C@H]1C=C3[C@@H](C[C@H](C)C[C@@H]3C3=CC=CC(O)=C3)[C@H]2[C@H]1COC1CCCCC1
|
C3H8AsNO4S
|
N[C@@H](CS[As](O)O)C(=O)O
|
C65H86N4O7
|
CCCCC[C@H]1C=C[C@H](CCCC[C@@H]2CC[C@H](C3=CC(C4=CC=CC=C4)=C(C4=CC(O)=CC(O)=C4CC4=CC=CC=C4)N3)[C@@H]3C[C@@H](CC4=CC=NC(N)=C4)C[C@]3(O)[C@H](CNC3CCCCC3)C[C@@H](O)[C@@H]2C(=O)O)[C@@H](O)C1
|
C21H32O5
|
C[C@H](C=C[C@H](CO)C(C)(C)O)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@]12C
|
C26H26O13S
|
CC(=O)OC[C@H]1O[C@@H](SC2=C(OC(C)=O)C(=O)C3=CC=CC=C3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
|
C32H34N2O4
|
CCCCC/C=C/C(=O)[C@H](CC1=CC=C(O)C(OC)=C1)C1=CC(C2=CC=C(N)N=C2)=C2C=CC(O)=CC2=C1
|
C22H28N2O8
|
CC[C@H](C)[C@H](NC(=O)/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O
|
C61H83N3O6
|
CNCC[C@]1(C)C(=O)CC[C@@]2(C)[C@H]3[C@@]4(O)C=CC[C@@]5(CC(=O)C6=C5[C@@H]4CN4C=C(CC5=CC(C7CCCCC7)=CC(C7CCOCC7)=C5)C5=C4C(=CN5)CC[C@@]6(C)C[C@@H](O)[C@H]4OC4(C)C)[C@@]3(C)CC[C@H]21
|
C41H55N3O9
|
COC1=CC(CC[C@H]2C[C@H](O)C[C@@H](C3=CC(OC)=C(O)C(OC[C@H]4N[C@@H](C)CC[C@]4(CC4=CC=[NH+]C(N)=C4)C4(C(=O)[O-])CCCCC4)=C3)O2)=CC=C1O
|
C14H22NO2
|
CCC[N+](C)(C)CCOC(=O)C1=CC=CC=C1
|
C40H81NO5
|
CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCC
|
C73H112N2O32
|
CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)[C@@H](OC(=O)C7=CC=CC=C7N)C[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[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]7O)[C@@H](O)[C@H]6O)[C@H](O)C[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
|
C53H77N9O11
|
CC[C@@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O
|
C46H61N7O12
|
COC1=CC=C(C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CC(N)C(C)CC=CC2=CC=CC=C2)C(C)O)C(=O)NCC(=O)NCC(C)C(=O)N[C@H](CC2=CC=C(O)C=C2)C(=O)O)C=C1
|
C25H35Cl4NO6S
|
CCC(Cl)C/C=C/C(O)[C@H]1O[C@@H]1C(Cl)C(Cl)C(Cl)C[C@H]1OCO[C@@H](C(OC)C2=NC(C(C)=O)=CS2)[C@@H]1C
|
C45H62O7
|
CCCCC[C@H](C)CCC[C@H]1CC2=CC(O)=C(CC(C)C)C=C2C2=C(OC)C=C3O[C@@H](C4=CC=C(O)C(O[C@H]5CCC[C@H](CO)C5)=C4)[C@H](O)CC3=C21
|
C36H37N3O6
|
COC1=CC=C(CN2C(=O)[C@H]3[C@@H](C(=O)NC4=CC=C(OC5=CC=CC=C5)C=C4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)C=C1
|
C19H25ClN2O
|
CC1=C([C@H]2[C@H](CCNC(=O)CCl)C2(C)C)C2=CC=CC=C2N1C
|
C17H31ClN2O5S
|
CCC[C@H]1CN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2OC(SC)[C@H](O)[C@H](O)C2O)C1
|
C73H91N3O7
|
CC1(C)O[C@@H]1[C@H](O)C[C@@]1(C)C2=C3[C@@H]4CN5C=C([C@H](C=O)C6=CC(C7CCCCC7)=CC(C7CCOCC7)=C6)C6=C5C(=CN6)C[C@H]1CC#CC[C@@]1(CC[C@@H]5[C@](C)([C@H]1[C@@H]4O)[C@@]14CC[C@@H](C1)C1=C(C=CN1)[C@@H]4C(=O)[C@@]5(C)C1CCCC1)[C@@]3(C)CC2=O
|
C21H19ClN4O2
|
O=C(CCC1=NC2=CC=CC=C2NC1=O)NCCC1=CNC2=CC=C(Cl)C=C12
|
C38H42N2O6
|
COC1=CC2=C3C(O)=C1OCC1=CC=C(C=C1)C[C@@H]1C4=C(C=C(OC)C(OC)=C4OC4=CC=C(C=C4)C[C@H]3N(C)CC2)CCN1C
|
C25H40O10
|
CC1=CC(=O)CC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2CC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
|
C21H31N3O2S2
|
O=C(CCCCC1CCSS1)NCCN1C[C@H]2C[C@@H](C1)C1=CC=CC(=O)N1C2
|
C26H22N2O8
|
CC(=O)C1=C(O)C(C)=C(O)C2=C1OC1=CC(=O)/C(=C(/C)NC3=CC=C4NC(=O)COC4=C3)C(=O)[C@@]12C
|
C34H44N4O4
|
COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCCCCN1C(=O)C2=CC=CC=C2N2C(=O)C3=CC=CC=C3C12
|
C101H162O48
|
C=C[C@@](C)(O)CC/C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@](C)(C=C)CCCC(C)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)CC[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]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
|
C20H31N5O3S
|
CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)NCC3=CC=CO3)CN12
|
C27H21N3O8
|
COC1=CC(C2=C(C3=C(O)C(=O)C=C(C)O3)NC(C3=CC4=CC5=C(C=C4NC3=O)OCCO5)=N2)=CC=C1O
|
C20H23NO8
|
COC(=O)C1=CC(OC)=C(OC)C=C1NC(=O)C1=CC(OC)=C(OC)C(OC)=C1
|
C37H35NO10
|
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](CO)[C@H]4O)C2=C(C=C[C@H]4CCC[C@@H]24)C3=C1
|
C24H37N3O4
|
COCCNC(=O)CC[C@@]12CC[C@@](C)(O)C[C@H]1C(C)(C)C[C@@H]2NC(=O)C1=CC=CN=C1
|
C40H80NO8P
|
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
|
C64H79NO3
|
C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@H]3C[C@H]4[C@]5(CCC[C@@]46C[C@@]4(CC[C@@H](C[C@H](CC7=CC=CC=C7)C7=CC=C8C=C9C=CC=C(CCC%10=CC=CC=C%10)C9=CC8=C7)C4)[C@H](O)C[C@@H]6[C@@H](O)C5)[C@@H]3CC[C@@H]1[C@]2(C)O
|
C13H19N5O2S2
|
CC1=NN=C(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)S1
|
C48H60O10
|
CC1(C)CC2C3=CCC4[C@@]5(C)CCC(OC(=O)/C=C/C6=CC=C(O)C(O)=C6)C(C)(C)C5CC[C@@]4(C)[C@]3(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)CCC2[C@H](C(=O)O)C1
|
C10H8S8
|
C1CSC2=C(S1)SC(=C1SC3=C(SCCS3)S1)S2
|
C13H24O10S
|
CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
|
C28H47NO4S
|
C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)C(C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
|
C30H47NO7
|
CC(=O)O[C@H](CCC1=CC(CN2CCCC2=O)=C(O)C(OC2CCCC2)=C1)C[C@@H](O)CCCCCCCO
|
C41H60O10
|
C=C(CCCC)C(=O)/C(C)=C/C=C\[C@H]1OC(=O)C[C@@H]2O[C@H](C[C@H]2C)[C@H](O)[C@H](O)C(=C)/C=C(\C)[C@@H](C)[C@@H](O)CC(=O)[C@@H](C)CC(=O)C[C@H]2CC[C@H]1O2
|
C31H34O4
|
CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3C=C4C(=O)O/C(=C\[C@H](CC)CC5=CC=CC=C5)[C@]4(CC3)[C@@H]21
|
C32H60N6O12
|
C=C(CCC(=O)NCCCCCN(O)C(C)=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
|
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