formula
stringlengths 1
25
| smiles
stringlengths 1
660
|
|---|---|
C25H18N2O3
|
CC1=C(C2=CC=CC=C2)OC2=C(C(=O)NC3=CC=C4NC=CC4=C3)C=CC=C2C1=O
|
C27H22Cl2N2O3
|
CN1C(O)=C(C(=O)/C=C/C[C@@H](NC2=CC(Cl)=CC=C2Cl)C2=CC=CC=C2)C(=O)C2=CC=CC=C21
|
C16H17N2O
|
CC1=[N+](CC(=O)C2=CC=CC=C2)CCN2C=CC=C12
|
C49H73N3O7
|
C=C(/C=C/C=C(/CO)[C@@H]1CC[C@]2([C@@H]1O)[C@@H]1/C(=C(/C)C=O)[C@@H](C=C[C@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)[C@@H](O)N[C@@](CCNC)(CCOC)CC2=CC=CC(=C2)C1
|
C18H23BrN2O5
|
CCN1C(=O)N[C@@H](C2=CC(Br)=C(O)C(OC)=C2)C(C(=O)OC(C)C)=C1C
|
C29H38N8O8.2ClH
|
CN(C)[C@@H]1C(O)=C(C(=O)NCN2CCN(C(=N)NC(=N)N)CC2)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]12.Cl.Cl
|
C53H74N4O7S2
|
CC[C@@H]1C#C[C@H]2C=C3[C@H](CC)CC4=CC(O)=C(O[C@H]5C[C@@H](CC6=CC=CN6)C6=CC=NC(N)=C6CSSC[C@H](CO)[C@@H]5O)C=C4[C@@H]3C[C@@H](O)[C@H]2[C@@H](O)CC[C@@H](NC[C@H](O)C2CCCCC2)C1
|
C45H78N6O6.ClH
|
CC[C@H]1C=CCC[C@@]2(CC3CCC4=C(C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CC(O)CCN)C(CCCC(C)O)=NC(=[N+]43)N2)O1.[Cl-]
|
C26H30N4O2.ClH
|
Cl.O=C(N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NC1CCCC1)[C@@H]1CC2=CC=CC=C2CN1
|
C36H34O7
|
COC1=CC2=C(C=C(OC3=C4C(=CC(=O)C4(C)C)C4=CC(OC)=C(C)C=C4C3=O)C3=CC(C)=C(OC)C=C23)C(C)(C)C1=O
|
C22H38N4O12
|
CC(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@@H](/C=N\N2CCOCC2)[C@@H](CO)O[C@H](O)/C=N/N2CCOCC2)O[C@@H](CO)[C@H]1O
|
C22H19BrClNO3
|
O=C(C1=CC=C(Cl)C=C1)C1=C(NC(=O)C2CCCCC2)C2=CC(Br)=CC=C2O1
|
C65H81N5O8
|
COC1=CC([C@H]2OC3=C(C[C@@]2(CNCNC[C@@](C)(O)CC(C)C)OCNC2CCCCC2)C2=C(C4=CC=C(O)C5=C4[C@H](C2)[C@@H](C2=CC=C4NC=CC4=C2)C(CNCCCC2=CC=CC=C2)=C5)C2=C3CC[C@H](CO)O2)=CC=C1O
|
C30H38N8O9S
|
CSCC[C@H](NC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O)C(=O)N[C@@H](C(=O)N/C=C1/C[C@@H](O)[C@H](N2C=CC(=O)NC2=O)O1)[C@H](C)N
|
C21H20ClN3O
|
O=C(CCN1C=CC2=C(Cl)C=CC=C21)NCCC1=CNC2=CC=CC=C12
|
C23H18O3
|
CC1=C2O[C@H](C3=CC=CC=C3)CCC2=CC2=C1OC(=O)C1=CC=CC=C12
|
C7H14NOS2
|
C[S@H+]([O-])CCCCCN=C=S
|
C26H21N5O3
|
O=C(O)C1=CC=C(CN2CC3=C(C[C@H]2C2=NC(C4=CC=C5C=CC=CC5=C4)=NO2)N=CN3)C=C1
|
C41H53NO13
|
C=C1[C@@H](OC(=O)[C@H](OC(C)=O)[C@@H](C2=CC=CC=C2)N(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)=C(C(=O)[C@@H]2OC(C)=O)C1(C)C
|
C29H27N3O8
|
COC1=CC=C(C2=NOC(CCN/C(C)=C3\C(=O)C=C4OC5=C(C(C)=O)C(O)=C(C)C(O)=C5[C@@]4(C)C3=O)=N2)C=C1
|
C56H84O22S2.2Na
|
C=CC[C@H](/C=C/[C@@](C)(O)[C@H]1C[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)C(=O)O.[Na+].[Na+]
|
C6H3ClN2OS
|
O=CC1=C(Cl)N=C2SC=CN12
|
C90H144O44
|
C=C[C@](C)(CC/C=C(\C)C(=O)O[C@H]1C[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H](O)[C@H]3O)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C)O[C@@H]1OC[C@H](OC(=O)[C@H](C)CC)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
|
C33H29NO8
|
CN1C2=C(O[C@H]3C4=C5OC(=O)C=CC5=CC=C4OC(C)(C)[C@H]3O)C=CC=C2C(=O)C2=C(O)C=C3OC(C)(C)C=CC3=C21
|
C7H9ClO3
|
C[C@H](O)[C@]1(O)C=C(Cl)C(=O)C1
|
C48H68O15
|
CC(=O)O[C@H]1[C@H](O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]2(O)O[C@H](C)C(=O)CCC(C)C)OC[C@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/C1=CC=CC=C1
|
C29H29NO5
|
COC1=CC=C(OC)C(C(=O)C2=C(C)C3=CC=C(NC(=O)C4=CC=C(C(C)(C)C)C=C4)C=C3O2)=C1
|
C23H17BrClNO6
|
CCOC(=O)C1=C(NC(=O)CCl)OC2=C(C(=O)OC3=CC=CC=C23)[C@@H]1C1=CC=C(Br)C=C1
|
C9H9Cl2N3
|
ClC1=CC=CC(Cl)=C1N=C1NCCN1
|
C45H57N9O11
|
CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)C(NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC(=O)N2)N2C=C(C[C@@H](C(=O)O)NC1=O)C1=CC=CC=C12
|
C36H28O19
|
O=C(/C=C/C1=CC=CC=C1)O[C@@H]1O[C@@H]2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)O[C@@H]2[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H]1O
|
C20H24N2O5S
|
CCOCCN1C(=O)COC[C@@H]1[C@H](O)C1=CC=C(NC(=O)C2=CC=CS2)C=C1
|
C56H104O4
|
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC1=CC=C(O)C(OC)=C1
|
C21H15NO5
|
COC1=CC=CC(C2=C(NC(=O)C3=CC=CO3)OC3=CC=CC=C3C2=O)=C1
|
C86H95NO5
|
CCOC1=CC2=C(C=C1O)C[C@H]1C3=C(C=C(OC)C(OC[C@H]4[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)C6(CCCCC6)C6=CC(=CC=C6)C6(CCCCC6)C6=CC(=CC=C6)C[C@@H]54)=C23)C[C@@H](O)[N+]1(C)C
|
C24H24N2O4.ClH
|
COCCNCC1=CN=C(C)C2=C1C=C(C1=CC(=O)OC3=CC4=C(C=C13)CCC4)O2.Cl
|
C42H34O20
|
O=C(/C=C/C1=CC=C(O)C(O)=C1)O[C@H]([C@H](OC(=O)/C=C/C1=CC=C(O)C(O)=C1)[C@H](OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O)[C@H](OC(=O)/C=C/C1=CC=C(O)C(O)=C1)C(=O)O
|
C19H25N5O3S
|
CC(C)CNC(=S)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC1=NC=CC(C2=CC=CO2)=N1
|
C22H36N2O2
|
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN(C)C4CCN(C)CC4)[C@H]3C=C12
|
C81H100N8O6
|
COC1=CC2=C(C=C1O)CC1=CN=C(N)C=C1[C@@H](CC1=CC=CC(CCC3=CC=CC=C3)=C1)CC#CN/C(N)=N/C[C@H]1C[C@H](C3=CC=CC=C3)C=C[C@H]3C[C@]4(C[C@H]13)[C@@H](NC[C@H](C)O)C[C@@]1(C[C@@H]3[C@@H]5CCNC[C@@H]5C[C@@H]5C=CCN[C@@H]35)CC(CC[C@@H]14)CC(=O)CC(=O)C=C2CO
|
C42H42N4O8
|
COC1=CC=C(C2=C(CC(=O)NCCCC3=NC4=CC=CC=C4N3)C3=C(O2)C(=O)C=C2C(=C3)C3=C(C=C(OC)C(OC)=C3OC)CC[C@@H]2NC(C)=O)C=C1
|
C28H21NO9
|
COC1=CC2=C(C=C1O)C(=O)C1=C(O)C3=C4C(O)=C5C(=O)N6CCO[C@]6(C)CC5=CC4=CC=C3C(O)=C1O2
|
C59H67N3O8S2
|
NC(N)C1=CC2=C3C=C1CSSC[C@]14CC[C@H](C[C@H](CCC5=CC=CC=C5)C[C@H](O)CO)[C@](/C=C/C(=O)CCC5=CC(=C(O)C=C5)OCCC5=CC(=C(O)C=C5)[C@@H]3CC(=O)C3=C(CC#C2)NC=C3)(C[C@@H]1O)C4
|
C38H48N4O6S
|
COC1=CC2=C(C3=CC=C(N[C@@H](CCSC)C(=O)NC4CCN(CC5=CC=CC=C5)CC4)C(=O)C=C3[C@@H](NC(C)=O)CC2)C(OC)=C1OC
|
C40H30O25
|
O=C(OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]1OC(=O)[C@H]1CC(=O)C2=C1C1=C(O)C(O)=C(O)C=C1C(=O)O2)C1=CC(O)=C(O)C(O)=C1
|
C22H41N5O4
|
CC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)N(CC)C(=O)NCCCN(C)C
|
C56H91N5O22
|
CCCCCCCC/C=C/CCCCCC[C@@H](CC(=O)O[C@H]1CN(C)[C@H]([C@H](O[C@H]2O[C@H](CN)[C@H](O)[C@@H]2O)[C@H]2O[C@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)C(=O)N(C)[C@@H]1C(=O)O)OC(=O)C[C@H](C)CC(=O)O[C@H]1O[C@H](C)[C@H](OC)[C@H](OC)[C@@H]1OC
|
C25H25BrN2O5
|
COC1=C2C=C(C(=O)C3=CC=CC(NC(=O)C4CCC4)=C3)N(C)CCC2=C(Br)C2=C1OCO2
|
C31H37N3O2
|
O=C1C(C2=CC=CC=C2CN2CCOCC2)=CC=C2[C@@H]3C[C@@H](CN(CCCC4=CC=CC=C4)C3)CN21
|
C39H51NO6
|
COC1=CC2=C(C=C1O)[C@H]([C@H](CCO)CCC1=CC=CC=C1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2
|
C39H62N2O10
|
COC1=CC(CC2([C@@H](C[C@H](OC(C)=O)[C@@H](CC[C@H](O)CCCO)CC[C@H](C)O)OC(=O)[C@]34CCCC[C@H]3CCC(=O)N4)CCNCC2)=CC=C1O
|
C4H8Cl2N2O2
|
O=C(O)CCC(NCl)NCl
|
C20H18ClN3O3S
|
O=C1O[C@@H]2[C@@H]3[C@@H]([C@@H]1C[C@H]2O)N(C1=CC=C(Cl)C=C1)C(=S)N3CC1=CC=CC=N1
|
C54H92O24
|
C[C@H](CC[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](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C
|
C51H72O6
|
C[C@H](CCCC1=CC=CC=C1)CCC[C@]12[C@@H](O)CC[C@@](C)([C@H]3CCC4(CCCC4)C3)[C@@H]1[C@H]1C[C@](C)(C#CCC3(CCCCC3)C(=O)O1)[C@]2(O)CCC1=CC(=O)OC1
|
C36H62N6O3
|
C=C1C[C@@]2(CC[C@@H](CC[C@@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H](C(NC(=N)NC)NC(=N)NC)C1
|
C31H52N2O2
|
C/C(=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C=O)CC[C@@H]32)C1)C(C)C
|
C20H16N2O3
|
O=C(CCC1=CNC2=CC=CC=C12)NC1=CC=C2OC(=O)C=CC2=C1
|
C12H15N2O.HI
|
C[N+]1=C2[C@H](O)CCN2CC2=CC=CC=C21.[I-]
|
C27H30N2O12
|
COC1=CC=C(C2=CC(=O)C3=C(O)C(OC)=C(O[C@@H]4O[C@H](C(=O)O)[C@](O)(C[C@H]5CNCN5)[C@@H](O)[C@H]4O)C=C3O2)C=C1
|
C71H103NO23
|
CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@]3(C)[C@]4(O)CC[C@@]3(O)[C@H](C)OC(=O)C3=CC=CN=C3)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@H]2C[C@@H](OC)[C@H](O[C@H]3C[C@@H](OC)[C@H](O[C@H]4C[C@@H](OC)[C@@H](O)[C@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1
|
C40H59NO9
|
COCCCNCC1=C[C@H]2C[C@@]3(O)[C@]4(CCCC[C@@]15OC(=O)C=C5[C@@H]24)CC[C@H]1[C@@]3(O)[C@H](O)[C@H]2C[C@H](C(C)C)CC[C@H]3[C@@H](O)CC[C@@]1(C=O)[C@]23O
|
C84H97NO9
|
CN[C@H]1CC2=C(C#CC3(CCCC3)C[C@]34C[C@H]5C#CC[C@@H]6[C@@H](C7=CC=CC=C7)CC[C@@]78CC[C@H]9[C@@H](C[C@H]67)[C@@]86C[C@]7(C=O)[C@@H]5[C@@](O)([C@@H](O)[C@H]5C[C@H]8[C@@H]%10C=CC[C@@H]8C8CC[C@@H](CC%11=CC=CC(=C%11)C[C@H]9O[C@@H]6[C@H](C%10)[C@@]57O)C8)[C@@]3(O)C[C@@H]3C[C@@H]1[C@H]1OC(=O)C=C1[C@@H]34)C=CC=C2CO
|
C77H150O6
|
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
|
C30H35NO6
|
CC(=O)O[C@@H]1/C=C\[C@@](C)(O)C(=O)[C@@H](C)C/C=C\[C@H]2C=C(C=O)[C@@H](C)[C@H]3[C@H](CC4=CC=CC=C4)NC(=O)[C@]321
|
C25H16Br4O6
|
COC1=C(Br)C=C([C@H](O)C2=C(C3=CC=C(O)C(Br)=C3)/C(=C/C3=CC=C(O)C(Br)=C3)OC2=O)C=C1Br
|
C22H19BrN2O3
|
CC1=CC=C2NC(C)=C(CCNC(=O)C3=CC4=CC(Br)=CC=C4OC3=O)C2=C1
|
C30H28N4O3
|
CC(C)C1=CC=C(NC(=O)C2=CC=C(N3C(=O)N4CCC5=C(NC6=CC=CC=C56)[C@@]4(C)C3=O)C=C2)C=C1
|
C81H145N3O31
|
CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3NC(C)=O)C(OC3(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@@H](O)[C@@H](O)CO)O3)C2O)C(O)C1O)C(O)/C=C/CCCCCCCCCCCCC
|
C23H16ClN3O2
|
COC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C2=NC3=CC(Cl)=CC=C3O2)C=C1
|
C11H6N2O3S
|
N#CC1=NC(C(=O)O)=C(O)C=C1C1=CC=CS1
|
C31H52O3
|
CC(=O)OC1=C(C)C(C)=C2O[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC2=C1C
|
C27H26N2O8
|
COC1=CC=C(NC(=O)CN/C(C)=C2\C(=O)C=C3OC4=C(C(C)=O)C(O)=C(C)C(O)=C4[C@@]3(C)C2=O)C=C1
|
C19H30N6O5
|
CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(C3=NC=CC=N3)CC2)[C@H](O)[C@@H]1O
|
C18H21NO5S
|
COC1=CC=C(S(=O)(=O)N2CCOC[C@H](OC3=CC=CC=C3)C2)C=C1
|
C37H49N7O9S
|
CSCC[C@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
|
C35H34ClN7O4S2
|
C[C@H](N)C(=O)N[C@@H](C)C(=O)OCCOC1=CC=C(C2=C(C#N)C(SCC3=CSC(C4=CC=C(Cl)C=C4)=N3)=NC(N3CCCC3)=C2C#N)C=C1
|
C21H22ClN5O4S
|
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C3=NC(C4=CC=C(Cl)C=C4)=NO3)N(C)C2)C=C1
|
C8H12OS2
|
CCCSSC1=C(C)OC=C1
|
C43H61N7O6
|
CNC[C@H](O)[C@H]1C[C@@H](/C(=C\C(=O)O)[C@H](C[C@H]2CCC3=CC4=CC=C(CC=O)C=C4C=C3[C@@H]2CCC[C@H](N)CC[C@H](C=O)CCCO)NC2=NC=CC2)N=C(N)N1
|
C19H34O6
|
CCCC(C=O)CCCCC[C@]1(OC)C[C@H](C)[C@H](CC(=O)OC)OO1
|
C36H58N4O11S
|
C=C1/N=C(\O)C(C)C(CCC(C)C(=O)/C=C/C(C)=C/CC(C)CCCCCCC)OC(=O)[C@H](CC(OS(=O)(=O)O)C(N)=O)/N=C(\O)[C@@H](C)C/N=C/1O
|
C60H102O25S
|
C=CCC[C@@H](O)/C=C/C=C/[C@H](O)[C@@H](O)C/C=C/C[C@@H](O)[C@H]1O[C@@H]([C@@H](O)[C@@H](O)C(=C)CC[C@@H](O)[C@H]2C[C@@H](O)[C@H](O)[C@@H]([C@@H](O)[C@@H](O)/C=C(\C)CC[C@@H](O)C[C@@H](O)[C@@H](O)[C@H](C)[C@H](O)[C@H](O)C/C=C/C[C@@H](O)/C=C/CCCCCOS(=O)(=O)O)O2)C[C@@H](O)[C@@H]1O
|
C103H161NO48
|
C=C[C@@](C)(O)CC/C=C(\C)C(=O)O[C@H]1[C@H](O[C@](C)(C=C)CC/C=C(\C)C(=O)OC[C@H]2O[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](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]7NC(C)=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@@H]2O)OC[C@@H](O)[C@@H]1O
|
C18H26N2O6S
|
CC1=CC=C(S(=O)(=O)NC[C@H]2O[C@@H](CC(=O)N3CCCC3)[C@H](O)[C@@H]2O)C=C1
|
C52H96N4
|
NCCCCCCCCCCCCCCCC[N+]1=CC=CC(CCCCCCCCCCCCC2=CC=C[N+](CCCCCCCCCCCCCCN)=C2)=C1
|
C16H23NO11S
|
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(O)=N[C@@H](S(=O)(=O)O)C[C@H]21
|
C18H16N2O10
|
O=C(O)C1=C/C(=C/C=N/[C@@H](CC2=CC(=O)OC(C(=O)O)=C2)C(=O)O)C[C@@H](C(=O)O)N1
|
C13H19N6O8PS
|
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OC(=O)[C@@H](N)CS)[C@H]1O
|
C54H88O18
|
CC[C@@H]1[C@@H](C)O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]3(O)C[C@@H](O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](CC)[C@@H](C)O3)OC(=O)/C=C/C=C[C@@H]2C)C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1
|
C11H16O2S
|
CC1=CC(SC(=O)CC(C)C)=C(C)O1
|
C26H34N4O2
|
CC#CCN1C=C2C[C@@H](C(=O)N3CCN(C(C)=O)CC3)N[C@@H](CC(C)C)C3=C2C1=CC=C3
|
C15H22ClN3O3
|
O[C@@H]1[C@@H](N2C=C(Cl)C=N2)[C@@H]2OCC(O2)[C@H]1NCC1CCCC1
|
C17H15N5O
|
CCN(C(C)=O)C1=CC=CC(C2=CC=NC3=C(C#N)C=NN23)=C1
|
C19H21N5O2
|
O[C@H]1CO[C@H](CN2C=C(C3=CC=CC=C3)N=N2)[C@@H]1NCC1=CC=NC=C1
|
C51H92O2
|
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]4(C)CC[C@H]32)C1
|
C12H10O6.Na
|
CC1=CC(=O)OC2=CC(OCC(=O)[O-])=C(O)C=C12.[Na+]
|
C60H85N15O14
|
CC(C)=CC[C@@]12C[C@H]3/C(O)=N\[C@@H](C(C)C)C(=O)N4CCC[C@H]4/C(O)=N/[C@@H](CC(N)=O)/C(O)=N/[C@@H](CCC(=O)O)/C(O)=N/[C@@H](CCCNC(=N)N)/C(O)=N/C/C(O)=N/[C@@H](CC4=CC=C(O)C=C4)/C(O)=N/C/C(O)=N\[C@@H](CC(C)C)C(=O)N3[C@@H]1NC1=CC=CC=C12
|
C24H28ClN3O6
|
COC1=CC=C(CNC(=O)C[C@@H]2C[C@H]3O[C@H](CNC(=O)NC4=CC=CC(Cl)=C4)[C@@H](O)[C@H]3O2)C=C1
|
C22H33NO6
|
CC(=O)NC(C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OCC3(O)[C@@]12C)C(C)C
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.