formula
stringlengths 1
25
| smiles
stringlengths 1
660
|
|---|---|
C36H49N3O7 | COC1=CC2=C(C3=CC=C(NCCCCCC(=O)N4CCC5(O)CCCCC5C4)C(=O)C=C3[C@@H](NC(C)=O)CC2)C(OC)=C1OC |
C21H36O7 | CCCCCCC[C@@H]1C[C@H](O)[C@H](O)/C=C\[C@@H](OC(=O)[C@@H](C)[C@H](C)O)CC(=O)O1 |
C36H44N4O9S2 | CC(C)(O)[C@@H]1CC2=C(O1)C1=C3OC4=C(C(=O)C3=C2OC2CCCC2)[C@H](C2=CC=C(NO)C=C2)C=C[C@@]4(O)C[C@](CO)(N=C(N)N)CSS[C@@H]1CO |
C35H63NO4 | CC(CC(O)C(O)C(O)C(O)CN)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12 |
C13H20N2O6 | C[C@H](N)C(=O)N[C@H]1[C@@H]2C(=C(O)C[C@@H](O)[C@H]2O)C(=O)O[C@H]1C |
C17H16Cl2O6 | COC1=CC(=O)C[C@@H](C)[C@]12OC1=C(Cl)C(OC)=C(Cl)C(OC)=C1C2=O |
C47H52N4O15 | CCC1=CC(O)=CC(C2(OC3=C(O)C4=C(C=C3O[C@@H]3O[C@H](C(=O)O)[C@]5(O)[C@H]([C@@H]6CNCN6)C=C[C@@]3(O)[C@@H]5O)OC(C3=CC=C(O[C@H](CO)[C@H](O)C5=CC=C(N)N5)C=C3)=CC4=O)CCCC2)=C1 |
C52H56N6O13 | CCC1=CC(O)=CC(C2(OC3=C(O)C4=C(C=C3O[C@@H]3O[C@H](C(=O)O)[C@]5(O)[C@@H]([C@H]6CNCN6)C(CC6=CC=NC(N)=C6)=C[C@@]3(O)[C@@H]5O)OC(C3=CC=C(OCCC5=CC=C(N)N5)C=C3)=CC4=O)CCCC2)=C1 |
C17H20NO4 | COC1=C2C[C@H](C(C)C)OC2=[N+](C)C2=C3OCOC3=CC=C12 |
C43H58O17 | CC[C@H](C)C(=O)O[C@@H]1C[C@@]2(C)[C@H](C3=COC=C3)OC(=O)C[C@]23O[C@]2(C)OC14C3(O2)[C@H](OC(=O)C(C)C)[C@@]1(O)[C@@H](OC(=O)[C@@](C)(O)CC)[C@]2(C)C[C@@]1(O)[C@@]4(C)[C@H]2CC(=O)OC |
C23H18ClN3O2 | NC1=NC=C(C2=CC=CC=C2)C(C2=CC=C(OCC3=CC=C(Cl)C=C3)C=C2O)=N1 |
C23H25N3O10 | NC(N)=NCC1=CC2=C(C(=O)C3=CC(CO)=CC=C3C2=O)C(O)=C1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O |
C50H55N3O7 | CNC(=N)NC1=CC=CC(CCCC[C@H]2C=CC(O)=C[C@@H]2C[C@H]2CC(=O)CCC3=CC=C(OC)C(=C3)OCC3=C4C=C[C@H](C)C5=C4C(=C(CC#CO2)C(O)=C5)C=C3CO)=C1 |
C78H79NO5 | CCOC1=CC2=C(C=C1O)[C@H]1C=CC[N@@+]3(C)[C@H](O)CC4=C(C2=C(OC[C@H]2[C@H](CC5=CC=C([C@@]67CC[C@@H](CC8=CC=CC=C8)[C@@H]6CCC6=CC=CC=C67)C=C5)C[C@H]5CC6=CC(=CC=C6)CC6=CC(=CC=C6)CC6=CC(=CC=C6)C[C@@H]52)C(OC)=C4)[C@H]13 |
C24H20BrN3O4 | COC1=CC=C(OC2=CN=C(N)N=C2C2=CC=C(OCC3=CC=C(Br)C=C3)C=C2O)C=C1 |
C15H14O4 | OC1=CC=C([C@@H]2OC3=CC=CC=C3[C@@H](O)[C@H]2O)C=C1 |
C11H18S | CCCCC1=CC=C(C(C)C)S1 |
C56H90O7 | C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](/C=C/C=C/CCCCCCCCC)(O[C@@H]1[C@@H]3C=C(COC(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2 |
C35H51NO5 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1 |
C38H46O16 | COC1=CC(/C=C/C(=O)OC[C@H]2O[C@@H](OC3=C(OC)C=C4C[C@@H](CO)[C@H](CO)[C@@H](C5=CC(OC)=C(O)C(OC)=C5)C4=C3OC)[C@H](O)[C@@H](O)[C@@H]2O)=CC=C1O |
C39H69NO13 | CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C(C)C)[C@H]3O)[C@@]3(C)CC(C)=C(O3)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CCO)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O |
C51H72N2O8 | C=C(/C=C/C=C(/COCCO)[C@@H]1CC[C@@]23[C@H]4/C(=C(/C)C=O)[C@H](C=C[C@@]4(CCO)C=C[C@@]12O)C[C@]3(O)CCNC)[C@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)CC2=CC=CC(=C2)C1 |
C17H21NO7S | CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](SC2=CC=CC=N2)O[C@@H](C)[C@H]1OC(C)=O |
C15H7N3O4 | O=C1C2=CC=CC=C2N2C1=NC1=CC=C([N+](=O)[O-])C=C1C2=O |
C33H58O18 | CO[C@H]1C[C@H](O)O[C@H](C)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@@H](OC)[C@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 |
C45H50O18 | CC(/C=C/C=C(\C)C(=O)OC[C@@H]1O[C@H](C2=CC=C3OC4=CC(O)=C(O)C=C4C(=O)C3=C2O)[C@@H](O)[C@H](O)[C@H]1O)=C\C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
C20H32O11 | COC1=CC(OC(CO)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(OC)C=C1CCCO |
C4H12N | C[N+](C)(C)C |
C20H29N10O22P5 | 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)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O |
C42H30O11 | O=C(CC1=CC=CC=C1)OC1=C(C2=CC=C(O)C(O)=C2)C(OC(=O)CC2=CC=CC=C2)=C2OC3=CC(O)=C(O)C=C3C2=C1OC(=O)CC1=CC=CC=C1 |
C15H8O2 | C=CC#CC#CC#CC#CC#CCOC(C)=O |
C12H14N6 | CC1=CC=C2N=C(N(C)C)N=C2C2=C1N=C(N)N2 |
C81H92N4O10 | COC1=CC2=C(C=C1O)[C@H]1C#C[C@H]3C[C@H]4C[C@@H](C[C@H]3C(=O)[C@H](O)C(=O)CC2)[C@@H](CCC2CCCC2)[C@H](O)CC2=CC(=CN2)[C@H](C)CNC[C@H](O)CC2=C(O)C3=CC(=CC=C3C=C2)NC2=NC=CC(=C2)[C@@H]4CC#C[C@H]2C[C@@H](C[C@H](CO)[C@H]2CC2=CC=CC(O)=C2)C2=CC=CC=C21 |
C26H17N3O4 | O=C(O)CCC1=NC2=CC(N3C4=C(C(=O)C5=CC=CC=C54)C4=CC=CC=C4C3=O)=CC=C2N1 |
C16H14ClN3O3 | CC(=O)NNC(=O)N1CC2=CC=CC=C2OC2=CC=C(Cl)C=C21 |
C68H97N13O28 | CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)CNC(=O)/C=C\C=C\CCC(C)C)[C@@H](C)OC(=O)CN(C)C(=O)[C@H](C[C@@H](O)C(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC1=O |
C15H13ClN4O | CNC1=NC2=CC=C(Cl)C=C2C(C2=CC=C(O)C=C2)=NN1 |
C32H55NO3 | CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N(C1CCCCC1)C1CCCCC1 |
C27H36N2O2S2 | C=CCN(C)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC3=C(N=C(CSC4=CC=CC=C4)S3)[C@@H](C)[C@@H]2[C@H]1O |
C8H11NO3S | C[C@@]12CCC(=O)N1[C@@H](C(=O)O)CS2 |
C37H41N5O18 | NC(N)=NCCC[C@]1(OC(=O)[C@H]2O[C@H](OC3=CC4=C(C(O)=C3CC3=CC=C(N)N=C3)C(=O)C=C(C3=CC=C(O)C(O)=C3)O4)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O |
C52H57ClN2O14 | 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=C(C)C(Cl)=C6)=C(C3=O)C(=C5C4=O)C2=O)C=C1 |
C18H23NO3S | CC1=CC(=O)OC2=CC(OCCSCCN3CCCC3)=CC=C12 |
C20H25NO2S2 | CC1=C(C(=CCCN2CCC[C@@H](C(=O)O)C2)C2=C(C)C=CS2)SC=C1 |
C69H114O34 | C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC[C@@H]6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O[C@@H]2OC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O |
C34H33N2O7S2 | O=C(CC1=CC=CC=C1)O[C@H]1C=COC=C2C[C@@]34SS[N@+]5(C3=O)[C@H]3[C@@H](CCC[C@@H]3OC(=O)CC3=CC=CC=C3)C[C@H]5C(=O)N4[C@@H]21 |
C47H67NO9S2 | CC(C)[C@@H](C)[C@H]1O[C@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)C6=CC(=CC(O)=C6)CC[C@]12CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O)C5 |
C8H12OS | CC(C)SCC1=CC=CO1 |
C15H30O9 | CO[C@H]1O[C@H](C)[C@@](O)([C@@H](C[C@H](O)[C@H](O)[C@@H](C)O)OC)[C@@H](OC)[C@H]1O |
C14H20N2O9 | COC1=CC(=O)N(C)[C@@H](O)[C@]1(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
C30H22O4 | COC1=CC=C(C(=O)C2=CC=C(C(=O)C3=CC=C(OC)C4=CC=CC=C34)C=C2)C2=CC=CC=C12 |
C26H28O6S.Na | O=S(=O)([O-])[C@@H](C/C=C/[C@@H](O)C1=CC=C(O)C=C1)CCC1=CC=C(OCC2=CC=CC=C2)C=C1.[Na+] |
C34H26O22 | O=C(OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)O[C@H]2[C@@H]1O)C1=CC(O)=C(O)C(O)=C1 |
C39H59N9O13 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(C)C)C(=O)O |
C33H38N4O7S | COC1=CC2=C(C3=CC=C(N[C@@H](CCSC)C(=O)NC4=CC=C(C(N)=O)C=C4)C(=O)C=C3[C@@H](NC(C)=O)CC2)C(OC)=C1OC |
C22H23N7O2 | CC1=NN(C2=NC3=CC=CC=C3N2)C([C@H]2CC[C@@H](O)[C@H](NC(=O)C3=CC=CN=C3)C2)=N1 |
C70H89NO9 | CN[C@@H]1CC2=C(C#CC3(CCCC3)C[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)[C@]8(CC[C@@H]9C[C@@H](C%10=CC=CC=C%10)CC[C@@H]98)C[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 |
C28H37NO | CC(C)[C@@]12CC[C@@]3(C)[C@H](C)CC[C@H](O)[C@]3(CC1)C1=C2CC2=C(C1)C1=CC=CC=C1N2 |
C19H21N3O3S2 | NC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@H]2[C@@H]1S/C(=N\C1=CC=CC=C1)N2CC1=CC=CS1 |
C15H14O8 | O=C(O)C[C@@H]1OC(=O)C=C1[C@H]1OC2=CC(O)=CC(O)=C2C[C@@H]1O |
C20H20ClN3 | ClC1=CC=C(C2(C3=CC=C(C4=CNN=C4)C=C3)CCNCC2)C=C1 |
C4H10N2S | CC(C)NC(N)=S |
C19H18N2O4 | COC1=CC=C(C2=C(C(=O)NCC3=CC=CC(OC)=C3)N=CO2)C=C1 |
C23H21N3O3 | CC(=O)N1N=C(C2=C(O)N(C)C3=CC=CC=C3C2=O)C[C@H]1/C=C/C1=CC=CC=C1 |
C39H75NO10 | CCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC |
C29H33N3O7 | COC1=CC2=C(C3=CC=C(N[C@@H](C)C(=O)NCC4=CC=CO4)C(=O)C=C3[C@@H](NC(C)=O)CC2)C(OC)=C1OC |
C22H22N2O6S2.Na | 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.[Na+] |
C43H57N5O9 | CC(C)[C@@H](NC(=O)CC1=CC=CC=C1)C(=O)N[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CC(=O)O)C(C)C |
C19H23N5O2 | O=C(O)C[C@@H]1CCN(CC2=CN=CN2)C[C@@H]1CC1=NC2=CC=CC=C2N1 |
C55H65NO11 | COC1=CC=C2C=C1OCC1=C3C=C[C@@H](C)C4=C3C(=C(CC#CO[C@@H](C[C@H]3C=C(O)C(CCCO)=C[C@@H]3C[C@H](CO)CCC3=CC=CC(NC[C@H](C)O)=C3)CC(=O)CC2)C(O)=C4)C=C1C(O)O |
C22H23ClN4O2S | CSC1=CC=CC(NC(=O)CN2CCC3(CC2)N=C(C2=CC=CC(Cl)=C2)C(=O)N3)=C1 |
C37H54N4O13 | C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(C)C)OC=C(C(=O)OC2CCCCC2)[C@H]1/C=C/C1=C[N+](CCO)=CC(C(=O)O)=C1NC(=N)NCCCO |
C17H32N4O2S | COCCNC(=S)NC[C@H]1C[C@@H]2CC[N@@]1C[C@@H]2CN1CCOCC1 |
C20H11N3O4 | O=C1C=C2N=C3C(=C2CC1)C1=C(C=NC1=O)C1=C3NC2=C(O)CC(=O)C=C21 |
C32H45N3O6S2 | CC(C)CCC1=C2OC3=C(CSSC[C@H](N=C(N)N)C[C@H]2O)C2=C(C(OC4CCCC4)=C3C1=O)[C@H]1CCC[C@@](C)(O)[C@H]1O2 |
C36H56O28 | OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O[C@@H]2O[C@@H]3CO[C@H]([C@@H]2O)[C@@H]3O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H]4CO[C@@H]([C@@H]3O)[C@@H]4O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H]5CO[C@@H]([C@@H]4O)[C@@H]5O)[C@H]3O)[C@H]2O)[C@H]1O |
C48H79NO22S2.2Na | CO[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@H]4C[C@@H]5C(=CC[C@]6(C)[C@@H]([C@H](C)/C=C/[C@@H](C)[C@@H](C)C([O-])=NCCS(=O)(=O)[O-])CC[C@@H]56)[C@@]5(C)CC[C@H](OS(=O)(=O)O)C[C@H]45)O[C@H](CO)[C@H]3O)OC[C@@H](O)[C@@H]2O)O[C@H](C)[C@H]1O.[Na+].[Na+] |
C14H18N4O3S | CC1=NOC([C@@H]2C[C@H](NS(=O)(=O)C3=CC=CC=C3)CN2C)=N1 |
C9H15N3O5 | C/C(=N\O)C1=NC=C([C@@H](O)[C@H](O)[C@H](O)CO)N1 |
C30H52OS | CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](SC(=O)CC)CC[C@]4(C)[C@@H]3CC[C@]12C |
C25H27NO7.ClH | CCOC(=O)CCC1=C(C)C2=CC(CNC3=CC=C(C(=O)OC)C=C3)=C(O)C(C)=C2OC1=O.Cl |
C15H17N5O | NC1=CC=C2[C@@H]3C[C@@H](CN(C4=NC=CC=N4)C3)CN2C1=O |
C31H34N2O6 | CC1(C)CCC2=C(C=C(OCC(=O)N3C[C@H]4C[C@@H](C3)C3=CC=CC(=O)N3C4)C3=C2OC(=O)C2=C3CCCC2)O1 |
C38H61N5O9 | CCCCCCC[C@@H]1C/C(O)=N/[C@H](CC(C)C)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H]([C@@H](C)O)/C(O)=N/[C@H](CC2=CC=CC=C2)/C(O)=N/[C@@H]([C@@H](C)CC)C(=O)O1 |
C7H7NO2.ClH | C[N+]1=CC=CC(C(=O)[O-])=C1.Cl |
C29H30N6O | O=C(NCC1=CC=CN=C1)[C@H]1C[N@@]2CC[C@@H]1C[C@@H]2CN1C=C(C2=CC=C(C3=CC=CC=C3)C=C2)N=N1 |
C28H41N5O6 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)CNC)C(C)C)OC2=CC=C(OC)C(=C2)/C=C\NC1=O |
C23H23BrO7 | CCOC(=O)[C@@H](OC1=CC2=C(C=C1Br)OC(C)=C2C(=O)OCCOC)C1=CC=CC=C1 |
C22H15N3O3S | O=C(CCN1C2=C(C(=O)C3=CC=CC=C32)C2=CC=CC=C2C1=O)NC1=NC=CS1 |
C59H70N4O8S2 | CCC1=CC2=C(C#CCC3=C(CNCCCCOC)C(O)=C4O[C@@H]5CSSC[C@@H]6CCC[C@@H](C6)N[C@H]5C=CC4=C3[C@H]3OC4=C(C=CC5=C4[C@@]4(CC[C@H](C2)C4)CC2=CC(O)=CC(OC)=C25)[C@@H]3COC(C)=O)N=C1N |
C44H59N3O5S4 | C[C@]12CCSSC[C@]34C[C@@H](CSS[C@@](CO)(CC5=CC=CC=C5)C5=CC=C(CO)C(=C5)C[C@@H]3CNC(N)=[NH+]4)CC3=C4CC1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O |
C50H63N3O6 | 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)CC(=O)[C@@H]2C1)[C@H](O)CC1=CC([C@H](C)CCCCO)=CN1 |
C22H32N2O2 | O=C1C=CC(C2CCCCC2)=C2[C@@H]3C[C@@H](CN(C4CCOCC4)C3)CN21 |
C30H36N4O2 | CCCC(=O)N1CC[C@]23C4=CC=CC=C4N[C@H]4N(C)C5=CC=CC6=C5[C@@]42CC[N@]([C@H]6[C@H]2OC2(C)C)[C@@H]13 |
C11H22O2S | CCCCCCC[C@@H](O)CC(=O)SC |
C70H72N4O9 | COC1=CC([C@@H]2CC(=O)C[C@H](OC(C)=O)CC[C@@]3(C=CC=C[C@@H]3C)CC3=CNC=C3C[C@@H](C3=CC=CC(O)=C3)C3=CC(=NC=C3)N(CCC(=O)C3CCCC3)C3=CC=CC4=CN2C=C34)=CC(O)=C1OC1=CC(O)=CC(CC2=CC=CC=C2)=C1 |
C11H22N2O3S | COC(=O)[C@H](CCSC)NC(=O)NCC(C)C |
C28H43NO5S | C/C(=C\C1=CSC(C)=N1)[C@@H]1C/C=C\CCCCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 |
C35H48N2O9 | CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@@H](O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](C3=C(CCCCCC[C@@H]4CNCN4)OC=C3)OC(=O)[C@H]3O[C@@]312 |
C27H40N4O3S | CN(C)CCNC(=O)C[C@@H]1C2=C(C[C@@H]3[C@](C)(CO)[C@H](O)CC[C@]31C)SC(NCC1=CC=CC=C1)=N2 |
Subsets and Splits