formula
stringlengths 1
25
| smiles
stringlengths 1
660
|
|---|---|
C21H21N5O7S
|
CC1=CC=C(S(=O)(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3N2N=NN=C2OC2=CC=C3OCOC3=C2)C=C1
|
C75H118O41
|
C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[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]7O)[C@@](C)(C=O)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)O[C@H](C)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O
|
C35H64O
|
C/C(=C/CO)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
|
C28H41NO2
|
CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2C=CC3=CN(C)C=C3[C@@]12C
|
C34H59NO14
|
CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O
|
C29H34Cl2N6O3S2
|
O=C(NC1=NC(C2=CC(Cl)=CS2)=C(N2CCN(C3CCCCC3)CC2)S1)C1=CN=C(N2CCC(C(=O)O)CC2)C(Cl)=C1
|
C139H219N37O41S6
|
CC[C@@H](C)[C@@H]1/N=C(/O)C(C(C)C)/N=C(/O)C/N=C(/O)C(CC(=O)O)/N=C(/O)C(CCCNC(=N)N)/N=C(/O)C(CC2=CC=C(O)C=C2)/N=C(/O)[C@@H]2CSSC[C@@H]3/N=C(/O)C4CCCN4C(=O)[C@H]([C@@H](C)CC)/N=C(/O)C(CC4=CC=CC=C4)/N=C(/O)C(C(C)C)/N=C(/O)C4CSSC[C@H](/N=C(/O)[C@H](CO)/N=C(/O)C(CSSCC(/N=C(/O)C5CCCN5C1=O)/C(O)=N\C/C(O)=N\[C@@H](CCC(=O)O)/C(O)=N\[C@@H](CO)/C(O)=N\4)/N=C(/O)C/N=C(/O)C(CC(C)C)/N=C(/O)C(C(C)C)/N=C(/O)C(CO)/N=C(/O)C(CO)/N=C(/O)[C@H]([C@H](C)CC)/N=C\3O)/C(O)=N\C(CCCCN)/C(O)=N\C(CC(N)=O)/C(O)=N\C(CCCCN)/C(O)=N\C(C(C)C)/C(O)=N\2
|
C32H51N11O13S
|
CC(N)C(=O)NC(C)C(=O)NC(C)C(=O)N[C@@H](CCCNC(=N)N)[C@H](O)CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@](NC=O)(NC(=O)CCC[C@H](N)C(=O)O)C2SC1
|
C12H4Br6O4
|
OC1=C(Br)C=C(OC2=C(O)C(Br)=C(Br)C(O)=C2Br)C(Br)=C1Br
|
C59H73N3O17
|
CNCC1=C[C@@]2(N)CO[C@@H]3O[C@H](COC(=O)[C@H](C(=O)O)C#C[C@H]1[C@@H]2NC)[C@@H](OCCCO)[C@H](O)[C@]31CC[C@H](C2=CC(O)=CC(CC3CCCC3)=C2)C2=CC3=C(C=C2OO1)[C@H]1OC2=C(C=C4O[C@@H](CO)OC4=C2CC(C)C)[C@H]1CO3
|
C22H21Cl3N4O
|
CC1=C(C2=CC=C(Cl)C=C2)N(C2=CC=C(Cl)C=C2Cl)N=C1C(=O)NN1CCCCC1
|
C28H52N6O10
|
NCCCCCN(O)C(=O)CCC(=O)NCCCCCNC(=O)CCN(O)C(=O)CCCCCN(O)C(=O)CCCC(=O)O
|
C18H18ClN3
|
ClC1=CC=CC(CN2CC[C@H](C3=NC4=CC=CC=C4N3)C2)=C1
|
BH3O3
|
OB(O)O
|
C20H19NO2
|
COC1=CC2=C(C=C1OC)C1=CC(C3=CC=CC=C3)=CN1CC2
|
C10H11N6O9P
|
NC1=NC2=C(N=C([N+](=O)[O-])N2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]3[C@H]2O)C(=O)N1
|
C29H43N8O17P3S
|
CNC1=CC=CC=C1C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O
|
C35H43N3O9
|
C[C@H]1CCCC(=O)CCC/C=C/C2=CC(O)=C(C(CC(=O)NC3CCN(CC(N)=O)CC3)C3=CC=C4OCOC4=C3)C(O)=C2C(=O)O1
|
C17H13IO4
|
COC1=CC(C2=CC(=O)C3=CC=CC=C3O2)=CC(I)=C1OC
|
C44H56O12
|
CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4C[C@@H](OC(=O)/C=C/C5=CC=CC=C5)[C@@]5(C)[C@](O)(CC[C@@]5(O)[C@H](C)OC(=O)C5=CC=CC=C5)[C@]4(O)C=C[C@@]3(O)C2)O[C@H](C)[C@H]1O
|
C26H27N3O2
|
C[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1CC2=CC=CC=C2CN1)C1=CC=CC=C1)C1=CC=CC=C1
|
C52H78O21S2
|
C=C/C=C/[C@@](C)(O)[C@H]1O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H]5O[C@@H]6C[C@@H]7O[C@@H]8C[C@@H]9O[C@@H]%10C[C@@H]%11O[C@](C)(CCOS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C[C@H]%11O[C@H]%10C[C@H]9O[C@H]8CC[C@@]7(C)O[C@@]6(C)CC[C@H](C)[C@H]5O[C@H]4[C@@H](O)[C@@]3(C)O[C@H]2CC1=C
|
C77H101N17O26
|
CCCCCC1=CC=C(/C(C)=C/C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]2C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)C3=CC=CC=C3N)C(=O)O[C@@H]2C)C=C1
|
C5H4ClNO2
|
O=C1C=C(O)C(Cl)=CN1
|
C20H34N2O6
|
COC(C)(C)[C@@H](O)CC/C(C)=C/CC[C@](C)(O)[C@H](O)CC1=CNC([N+](=O)[O-])=C1
|
C20H23NO4S
|
CS(=O)(=O)C1=CC=C(CN2C[C@@H](CO)[C@@H]3COC4=CC=CC=C4[C@@H]32)C=C1
|
C12H16N2O2S2
|
O=C(NCCS)C1=CC=CC(C(=O)NCCS)=C1
|
C38H37NO7
|
C=CCOC(=O)[C@@H](CCC(=O)OCC1=CC=C(OCC2=CC=C(C)C=C2)C=C1)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21
|
C26H32ClN3O4
|
CC[C@H](C)N1C(=O)[C@H]2[C@H](C(=O)NC3=CC=CC(Cl)=C3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1
|
C43H61N7O13
|
CC(C)CCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)C1/C(O)=N/[C@@H](C)/C(O)=N/C(C(=O)O)CC2=CC([N+](=O)[O-])=C(O)C(=C2)C2=C(O)C=CC1=C2
|
C31H22O8
|
CO[C@]1(C2=CC=C3C(=O)C4=CC(C)=CC(O)=C4C(=O)C3=C2O)C2=CC=CC(O)=C2C(=O)C2=C(O)C=C(C)C=C21
|
C19H15ClN4OS
|
CC1=CC=C(N2C(SCC3=CC=CC(Cl)=C3)=NC3=C2N=CNC3=O)C=C1
|
C36H57N5O5
|
C#CCCC[C@H](C)C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(N)=O)C(C)C)C(C)C)C(C)C
|
C58H84N2O4
|
CC(=O)O[C@@H]1C[C@H]2[C@]3(C)CCCC(C)(C)[C@H]3CC[C@@]2(C)[C@@H]2C=CC3=CN(CCCCN4C=C5C=C[C@H]6[C@@]7(C)CC[C@@H]8C(C)(C)CCC[C@@]8(C)[C@H]7C[C@@H](OC(C)=O)[C@@]6(C)C5=C4)C=C3[C@@]12C
|
C7H8N2O2S2
|
CC(=O)N[C@H]1C(=O)NC2=CSS[C@@H]21
|
C26H29N3O4S2
|
O=C1C(C2=CC=CC=C2CN2CCOCC2)=CC=C2[C@@H]3C[C@@H](CN(S(=O)(=O)C4=CC=CS4)C3)CN21
|
C41H62O14
|
C=C1CC[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)CCC(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@]43C)[C@H]2C1
|
C6H6N4O4
|
NC1=CC(N)=C([N+](=O)[O-])C=C1[N+](=O)[O-]
|
C37H62N14O14S
|
C[C@H](C(=O)N[C@@H](CCCNC(=N)N)[C@H](O)NC(=O)C[C@H](C)N)C(=O)N[C@H](CCCNC(=N)N)[C@H](O)CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@](NC=O)(NC(=O)CCC[C@H](N)C(=O)O)[C@H]2SC1
|
C59H79NO4
|
C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@H]3C[C@H]4[C@@H](C[C@H](O)[C@H]5C[C@@H](O)[C@]6(CC[C@H](CCC7=CC=C8C=C9C=CC=C(CCCCCCC%10=CC=CC(O)=C%10)C9=CC8=C7)C6)C[C@@]54C)[C@@H]3CC[C@@H]1[C@]2(C)O
|
C24H44O11
|
C[C@H](CC[C@H]1[C@H](C)C[C@H](O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
|
C51H65N9O19
|
COC1=CC(O)=CC=C1C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)NC(=O)O)[C@@H](O)C(=O)O)COC(=O)CNC(=O)[C@H](CC(C)C)NC1=O
|
C27H52O7
|
C[C@H](CCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
|
C40H51N3O5
|
CCC1=CC(O)=CC2=CC=C(COC3=CC(CCC(=O)C[C@@H](O)CCCCCCCC4=CC=CC(NC(=N)NC)=C4)=CC=C3OC)C=C12
|
C27H36ClN5OS
|
COC1=CC=CC=C1N1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=S)NC2=CC=CC(Cl)=C2)CC1
|
C22H22N2O6S2
|
CC1=CC=C(OC(=O)[C@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)C2=CSC=C2)C=C1
|
C14H20Cl4N2OS
|
C[C@@H](CC(=O)N(C)[C@H](C[C@H](C)C(Cl)Cl)C1=NC=CS1)C(Cl)Cl
|
C25H51NO9Si4
|
CC(=O)N[C@H]1[C@H]([C@H](O[Si](C)(C)C)[C@@H](COC(C)=O)O[Si](C)(C)C)OC(C(=O)O[Si](C)(C)C)=C[C@@H]1O[Si](C)(C)C
|
C61H80N12O18
|
CC1=C2OC3=C(C)C=CC(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@H](C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)[C@@H](O)C[C@@H]5C)=C3N=C2C2=C(NC[C@H]3OC(=O)[C@H](C)N(C)C(=O)CN(C)C(=O)[C@@H]4CC(=O)CN4C(=O)[C@@H](C(C)C)NC(=O)[C@H]3NC2=O)C1=O
|
C52H100NO7P
|
CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
|
C21H32N4S
|
S=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCCCC1)NC1=CC=CC=C1
|
C19H20N
|
CC1=C2C[N+](C)(C)CC2=CC2=CC=C3C=CC=CC3=C12
|
C25H23N3O7
|
CC1=CC=C2NC(=O)[C@]3(N[C@@H](CCC(=O)O)[C@H]4C(=O)N(CC5=CC=C6OCOC6=C5)C(=O)[C@H]43)C2=C1
|
C27H23ClO5
|
CCC1=CC2=C(C=C1OCC1=CC=C(Cl)C=C1)OC(C)=C(C1=CC=C3OCCOC3=C1)C2=O
|
C20H11Cl2N3O
|
O=C1NCC2=C1C1=C(NC3=C(Cl)C=CC=C31)C1=C2C2=CC=CC(Cl)=C2N1
|
C19H10N2O2S2
|
N#CC1=CC=C2N=C(C3=CC=C(C4=CC=C(C(=O)O)C=C4)S3)SC2=C1
|
C10H7BrO
|
OC1=CC=C2C=C(Br)C=CC2=C1
|
C9H9BrN2O
|
O=C1CCN(C2=CC=C(Br)C=C2)N1
|
C22H20N4O6
|
O=C(NC1=CC=CC([N+](=O)[O-])=C1)[C@@H]1[C@@H](C(=O)NC2=CC=CC([N+](=O)[O-])=C2)[C@H]2C=C[C@@H]1CC2
|
C20H32N10O31P8
|
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
|
C22H20O10
|
COC1=CC(=O)OC([C@H]2C3(O)[C@H](O)C4C[C@]2(O)[C@](O)(C(=O)O4)[C@H]3C(=O)C2=CC=CC=C2)=C1
|
C28H38N2O5S
|
COC1=CC=C(OCC2=NC3=C(C[C@]4(C)CC[C@@H]([C@H](C)C(=O)N5CCOCC5)[C@H](O)[C@H]4[C@@H]3C)S2)C=C1
|
C42H59N7O10
|
C/C=C(\NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)O
|
C56H75N3O8
|
CCC[C@@H]([C@@H]1C[C@@H](CC2=CC=NC(N)=C2)C[C@H]2C#C[C@H](C3=CC=CC=C3CCC(C)C)C3=CC(O)=C(OC)C=C3CCC(=O)[C@H](O)C(=O)[C@H]2C1)[C@H](O)CC1=CC([C@H](C)CC[C@H](O)[C@H](C)O)=CN1
|
C22H19ClN6O3
|
COC1=CC=C(NC(=O)N2CC3=C(C[C@H]2C2=NC(C4=CC=C(Cl)C=C4)=NO2)NC=N3)C=C1
|
C29H35Cl3O5
|
C=CC1(C=C)CC[C@H](Cl)C(C)(C)[C@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)C1=C(C=C(O)C(C)=C1O)C2=O
|
C44H50O12
|
CC1=CC2=CC(C(=O)O)=CC(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)=C2C(O)=C1C(=O)CCC1=CC=CC=C1
|
C14H25N3O
|
CC/C(=N\NC(N)=O)[C@H]1C[C@@]2(C)CC[C@@H]1C2(C)C
|
C50H80N2O16
|
CC(=O)N[C@H]1[C@H](O[C@@H]2CO[C@@H](O[C@H]3CC[C@]4(C)C5=C(CC[C@H]4C3(C)C)[C@@H]3CC[C@H]([C@H](C)CC(=O)C=C(C)C)[C@@]3(C)CC5)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
|
C51H56N2O14
|
COC1=CC=C(NC2=C3NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@]4(C)OC5=C(C)C(OC(=O)C6=CC=CC=C6)=C(C3=O)C(=C5C4=O)C2=O)C=C1
|
C24H30N2O3
|
C=CCC1=CC(C)=CC=C1OCC(O)CN1C[C@H]2C[C@H](C1)C1=CC=CC(=O)N1C2
|
C40H79NO8
|
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC
|
C43H60O19S
|
CCC/C=C/C=C/[C@H](O)C/C=C/C=C/C(=O)O[C@@H]1[C@@H](O)[C@H](C2=C(O)C=C(O)C=C2COS(=O)(=O)O)O[C@H](CO)[C@H]1O[C@@H]1O[C@@H]([C@H](O)COC(=O)/C=C/C=C\CCCCC)[C@H](O)[C@H]1O
|
C37H45N3O7
|
CC[C@@H](C)[C@H](NC1=CC=C2C(=CC1=O)[C@@H](NC(C)=O)CCC1=CC(OC)=C(OC)C(OC)=C12)C(=O)N1CCOC(C2=CC=CC=C2)C1
|
C12H22O11.5Fe.2Na.4H2O.8O
|
O.O.O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Na+].[Na+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-]
|
C12H22N4S4
|
CN1CCN(C(=S)SSC(=S)N2CCN(C)CC2)CC1
|
C12H8O
|
C1=CC=C2C(=C1)C=CC1=C2OC=C1
|
C10H11Cl
|
CC1=CC(C)=C2C(=C1)C[C@@H]2Cl
|
C26H39NO7
|
CCCCCCC(C)/C=C(C)/C=C/C(=O)N[C@H]1CC2(O[C@H]1O)[C@@H]1O[C@@H]1C(O)(CC(C)=O)[C@@H]1O[C@@H]12
|
C36H55NO5
|
CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@H]4C[C@@](C)(C(=O)N5CCOCC5)CC[C@]4(C)CC[C@@]23C)C1(C)C
|
C8H13Br2ClO
|
CC(=O)[C@H](Br)C[C@@H](Br)C(C)(C)Cl
|
C8H8BrNO4
|
O=C1C[C@]2(O)C=C(Br)C(=O)[C@@](O)(C2)N1
|
C23H20ClN7O5
|
CN1C(=O)NC(=O)C2=C1N=C(N/N=C1/C(=O)NC3=CC=CC=C13)N2C[C@H](O)COC1=CC=C(Cl)C=C1
|
C24H16O5
|
COC1=CC=CC2=C1OC(C1=CC(=O)OC3=CC(C4=CC=CC=C4)=C(O)C=C13)=C2
|
C64H99N17O16S
|
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN)NC(=O)[C@H](CCCCNC(=O)[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC([C@@H](N)C(C)C)=N2)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H](CC2=CC=CC=C2)NC1=O
|
C32H60N8O11
|
CC(C)C[C@@H](C)[C@@H](O)[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)[C@@H](O)[C@@H](O)C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C)O)[C@@H](C)[C@@H](C)C(N)=O
|
C15H3Cl6N9O3
|
ClC1=NC(Cl)=NC(OC2=CC(OC3=NC(Cl)=NC(Cl)=N3)=CC(OC3=NC(Cl)=NC(Cl)=N3)=C2)=N1
|
C41H68N6O11
|
CCCCCCCCC[C@H](O)CCCC(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](C(=O)O)C(C)C)[C@H](C)O
|
C18H22N3S
|
CCN(CC)C1=CC=C2N=C3C=CC(=[N+](C)C)C=C3SC2=C1
|
C7H8
|
C1=CC=CCC=C1
|
C38H47NOS2
|
C[C@H]1CC=C[C@]2(C1)C[C@H]1CC#CC3=C(O)C=C4C=C3C[C@H]3CC(CSSC[C@@H](C)NCC5=CC=CC=C5C4)C[C@H]2[C@H]3C1
|
C24H35N3O
|
COC1=CC=C2N=C(C[C@@H]3C[C@@H](C(C)C)[C@H](CNCC4CC4)C=C3C)NC2=C1
|
C23H24N2O9
|
COC(=O)C1=CC=CC=C1NC(=O)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=CC=CC=C2N1
|
C35H33NO6
|
COC1=CC2=CC=C3C4=C(C=C(C5=CC(=O)OC6=CC7=C(C=C56)CCC7)N(C)CC4)C(OC)=C(OC)C3=C2C=C1OC
|
C12H13Br3N2
|
CN(C)CC1=C(Br)N(C)C2=CC(Br)=C(Br)C=C12
|
C35H68NO7P
|
CCCCC=CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC=CCCCCCCCCCCCCCC
|
C22H24O13
|
O=C1C=CC2=CC3=C(OC=C3)C(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=C2O1
|
C16H20ClN5O
|
CCCNC1=[N+](C)C2=C(N)C(Cl)=C(N)C3=NC(COC)=CC1=C23
|
C22H16O14
|
COC1=C(O)C=C2C(=O)[O+]=C3C(OC)=C(O[C@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C4C(=O)[O+]=C1C2=C34
|
C25H23N5O4
|
N#CC1=CC=CC(C2=CC=NC(N[C@H]3CO[C@H]4[C@H]3OC[C@@H]4OC(=O)NCC3=CC=CC=C3)=N2)=C1
|
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