formula
stringlengths 2
21
| smiles
stringlengths 4
474
| label
int64 0
1
|
|---|---|---|
C19H26O5 | C=C1C[C@@H](O)[C@@H]2C(C)=C(O)C(=O)C[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O | 1 |
C30H18O12 | COC1=CC2=C(CCC(C)(C)O2)C2=C1C(C)=C(CCC(=O)N[C@@H]1C=CS(=O)(=O)C1)C(=O)O2 | 0 |
C20H18O6 | O=C1C[C@H]2O[C@@]3(O)CC[C@@H](O)[C@@H]1[C@H]3C21OC2=CC=CC3=CC=CC(=C23)O1 | 1 |
C13H20N2 | CN(C)C[C@@H]1C2=CC=CC=C2CCN1C | 1 |
C28H38O3 | CC(C)=CCC[C@]1(C)CC[C@]2(O)C3=CC=C4C(=CC(=O)C(O)=C4C)[C@]3(C)CC[C@@]2(C)C1 | 1 |
C53H68N6O6 | CC(C)OC1=CC=C(C(=O)OCCN2C=NC3=CC=CC=C3C2=O)C=C1 | 0 |
C55H104O6 | COC1=CC=C(C2=CC(=O)OC3=CC(OC(=O)CNC(=O)OCC4=CC=CC=C4)=CC=C23)C=C1 | 0 |
C16H15NO4 | CO[C@@H]1CC[C@@H](O[C@@H]2C[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)/C=C(\C)C(=O)[C@H](C)C[C@H](C)C(=O)O)O4)O3)O[C@]3(O[C@@H]([C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)C[C@@H]3C)[C@@H]2C)O[C@H]1C | 0 |
C28H27NO3 | CC1=C(CC2=CC=CC=C2)C(=O)OC2=C3CN(C[C@H](C)C4=CC=CC=C4)COC3=CC=C12 | 1 |
C29H24O8 | CCN1C(=O)[C@]2(NC(=O)C3=CC=CC=C3N2)C2=CC=CC=C21 | 0 |
C13H16O5 | C=C(C)[C@H](O)CC1=CC(C(=O)OC)=CC(O)=C1O | 1 |
C16H24N4O2 | C[C@H]1CCCCC[C@@H](O)[C@H](O)/C=C\C(=O)O1 | 0 |
C22H32N4O2S | CC(=O)C1=CC=C(NC(=O)NC[C@H]2C[C@@H]3CC[N@@]2C[C@@H]3CN2CCSCC2)C=C1 | 1 |
C25H27N3O4 | COC1=CC([C@@H]2C3=CC4=C(C=C3[C@@H](NC(=O)C3=CC=CC=C3Cl)[C@H]3COC(=O)[C@H]23)OCO4)=CC(OC)=C1OC | 0 |
C25H36O5 | CC(=O)C[C@@H]1C(=O)[C@@H]2COC(C)(C)[C@H]3CC[C@@](C)(C[C@H]23)[C@H]1/C=C/OC(=O)C=C(C)C | 1 |
C16H18N6O5 | OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=C(O)C=N4)N=CN=C32)[C@H](O)[C@H]1O | 1 |
C21H20O10 | CC(C)[C@]12C=C3C(=O)C[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@]3(CC1)OO2 | 0 |
C28H43N5O7 | COC1=CC2=CC3=C(C(=O)O[C@H](C)C3)C(O)=C2C2=C1[C@@H]1C34NC(=O)[C@]5(CCCN5C3=O)C[C@H]4C(C)(C)C3=[N+]([O-])C4=C(C=CC5=C4C=CC(C)(C)O5)[C@]31O2 | 0 |
C28H40N2O4 | C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)C/C(=C/O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 | 0 |
C20H36N4O9 | CC(=O)N(O)CCCCCNC(=O)CC(O)(CC(=O)NCCCCCN(O)C(C)=O)C(=O)O | 1 |
C28H48N2O24S | CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)OC(O)[C@@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O | 1 |
C38H52O13 | CC(C)(O)[C@H](O)C[C@](C)(O)C[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C | 0 |
C28H40O4 | CC1(C)[C@H]2CC=C3C(=O)OC[C@]3(O)[C@@]2(C)CC[C@@H]1O | 0 |
C23H22O12 | CC(=O)OCC1O[C@@H](C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(O)[C@@H](O)[C@@H]1O | 1 |
C26H25N3O4 | CC1=CC=CC(C2=CC=C3NC(=O)[C@@H]4C[C@@H](NC(=O)C5=CC=CO5)CCN4C(=O)C3=C2)=C1C | 1 |
C21H30N4O4S | COC1=CC=CC=C1CNC(=O)C1=CC=C2N=C(C3=CC(OC)=C(OC)C(OC)=C3)C(C3=CC(OC)=C(OC)C(OC)=C3)=NC2=C1 | 0 |
C29H41NO6 | CCC(C)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCC(C)C | 0 |
C24H18N2O3 | CC1OC(OC2CC[C@]3(/C=N/CC4=CC=CN=C4)[C@H]4CC[C@]5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O)C1O | 0 |
C60H106O6 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC | 1 |
C25H30N4O3 | CCCCCCCC1=CC(OC)=CC(O)=C1C(=O)OC1=CC(CCCCCCC)=C(C(=O)O)C(OC)=C1 | 0 |
C26H24O18 | CO[C@@H]1C=C2[C@@H]3CC[C@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)[C@@]3(C)CC[C@]2(O)[C@@]2(C)CC[C@H](O)C[C@]12O | 0 |
C14H10N2O4 | CC(=O)NC1=CC2=NC3=C(O)C=CC=C3OC2=CC1=O | 1 |
C40H73O10P | CCC=CCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO | 1 |
C24H32O7 | CN1CCN(C2=CC=C3N=C(C4=CC=C5NC(C6=CC=C(O)C=C6)=NC5=C4)NC3=C2)CC1.Cl.Cl.Cl | 0 |
C37H30O15 | O=C(O[C@H]1CC2=C(O)C=C(O)C([C@H]3C4=CC=C(O)C=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H]3O)=C2O[C@@H]1C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1 | 1 |
C44H70O16 | C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@@H]2C | 1 |
C39H44N2O8 | COC1=CC2=C(C=C1O)[C@H](CC1=CC(OC)=C(OC)C=C1OC1=CC3=C(C=C1OC)C1=C(O)C(OC)=CC4=C1[C@H](C3)N(C)CC4)N(C)CC2 | 1 |
C16H18O5 | CO[C@H]1C[C@]2(CC[C@@]3(O2)[C@]2(CO2)C[C@@H](OC(C)=O)[C@H]2[C@@H]4CCC[C@@]23COC4=O)CO1 | 0 |
C28H42O2 | CC(/C=C/C(C)C(C)C)=C1\[C@H](O)CC2=C3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C | 1 |
C28H25NO6 | CCC(C)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)C(C(C)C)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC1=O | 0 |
C12H15NO2 | CCN1CC2=CC=CC=C2C[C@@H]1C(=O)O | 1 |
C15H20O4 | C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@@](C)(O)C=C[C@]12O | 1 |
C24H24N2O4S | OC1=CC=C([C@@H]2CCC3=C(O[C@H]4OC[C@H](O)[C@@H](O)[C@@H]4O)C=C(O)C=C3O2)C=C1 | 0 |
C65H90O7 | CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC(C)C | 0 |
C25H24Cl2O14 | CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C | 0 |
C23H34O5 | CC1=CC=C(NC(=O)[C@H]2[C@@H]3C=C[C@]4(O3)[C@@H]2C(=O)N(C2CCCCC2)[C@H]4C(=O)NC2CCCCC2)C=C1Cl | 0 |
C25H32N2O3 | CC1C[C@H]1[C@H](C)CC[C@@H](C)C1[C@H](O)CC2C3CC[C@H]4CC(O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C | 0 |
C30H48O5 | CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O | 1 |
C20H30O4 | CC[C@H]1OC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H](CC)OC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H](CC)OC(=O)[C@H](CC2=CC=CC=C2)N(C)C1=O | 0 |
C27H37N3O4 | C[C@@H]1[C@@H]2[C@@H](O)[C@H]([C@H](C)C(=O)N3CCOCC3)CC[C@]2(C)CC[C@@H]1NC(=O)C1=CC=C(C#N)C=C1 | 1 |
C15H26O | CC1(C)CN(S(=O)(=O)C2=CC=CC=C2)C[C@@H]2CN(C3CCCCC3)CCN21 | 0 |
C15H26O2 | C/C(=C/CC[C@@]1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1O)CO | 1 |
C22H29NO3 | C=C(CC1=CC2=CC=CC=C2N1)[C@]12CC#C[C@@H](N/C(=N\CCCO)NC)C[C@]3(O)[C@@H](O)C[C@@H]([C@@H]3C1)[C@@](O)(C1CCCCC1)CC2 | 0 |
C24H40O10S2 | C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](OS(=O)(=O)O)C[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C | 1 |
C18H19N3O4S | C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2[C@@H](O)C[C@@H]1C3 | 0 |
C33H56O2 | CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[C@@H](C)CC)CC[C@]4(C)[C@H]3CC[C@]12C | 1 |
C16H27NO | CC(C)(O)C#CCN1C[C@]2(C)C[C@H]1CC(C)(C)C2 | 1 |
C46H58N6O14 | COC1=CC=C(C[C@H]2C(=O)N[C@@H](C)C(=O)N(C)[C@H]3CC4=CC=C(C(O)=C4)C4=CC(=CC=C4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@@H](C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)N(C)C3=O)C=C1 | 1 |
C19H24O5 | C=C(C)C(=O)O[C@@H]1[C@@H]2C(=C)C(=O)O[C@@H]2CC(C)=C2CC[C@H](O)[C@]21C | 1 |
C48H69NO12S2 | COC(=O)[C@]1(C)C[C@H]2C3=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)C[C@H]3O[C@@H]1C[C@]32C | 0 |
C33H52O7 | CCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=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 | 0 |
C46H88O6 | CC(C)CCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C | 1 |
C17H26O11 | C=C(C)[C@@H]1CC[C@]2(C)[C@@H](C1)C(=C)CC[C@H]2[C@@H]1C=C(C2=CC=CC=C2)OC2=C(OC)C(OC)=CC(OC)=C21 | 0 |
C29H29NO6S | C[C@H]1OC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OC2=CC=C(C(=O)O)C=C2)[C@@H](O)[C@@H]1O | 0 |
C10H16 | CCCCCCCCCCC=CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC | 0 |
C24H28N2O4 | COC1=CC(O)=C2C(=O)C3=CC(O)=C(C)C=C3C(=O)C2=C1O | 0 |
C25H42O2 | C=C(C[C@@H](O)CC(C)C)[C@@H]1CC[C@]2(C)C[C@@H]3C(C)=CC[C@@H]3[C@](C)(O)CC[C@@H]12 | 1 |
C20H28O3 | C/C1=C/C=C(C(C)C)CCC2=CCC[C@](C)(OC2=O)C(=O)CC1 | 1 |
C18H16O5 | C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC1=C(C)C=CO1 | 0 |
C24H22N2O5 | CC1=NC=C(CN2CCCCC2)C2=C1OC(C1=CC(=O)OC3=CC4=C(C=C13)OCO4)=C2 | 1 |
C23H22ClN3O4 | CC[C@@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H]([C@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)OS(=O)(=O)O)[C@@H](C)OC1=O | 0 |
C26H42N2O4S | CCN(CC)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC3=C(N=C(COC(=O)C(C)(C)C)S3)[C@@H](C)[C@@H]2[C@H]1O | 1 |
C59H89ClO19 | C=C(Cl)/C=C/C(O)CC(=C)C[C@H]1O[C@@H]2[C@H](C)[C@@H](OC(=O)C[C@@H]3C[C@@H](O)CC4(C[C@](C)(O)C[C@@H](C=C5CO[C@@H]([C@H](C)C(=O)C[C@H]6C[C@@H](OC)CC7(C[C@H](O)C[C@@H](/C=C\CCC[C@@H]8O[C@@](O)(C[C@@H](O)[C@@H]8C)[C@H]2O)O7)O6)[C@H]5C)O4)O3)[C@@H]1O | 1 |
C85H158O17P2 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC | 1 |
C34H58O6 | COC1=C(C)C(O)=C(C(=O)O)C2=C1C(=O)O[C@H]2O | 0 |
C28H48O2 | CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | 1 |
C40H57N2O5 | CCCCC1=[O+]C(CCC2=CC=C(O)C(OCC3([C+]4C=C5C(=N4)CC[C@H]4CCC[C@@H]4[C@@H]5CNC[C@H](C)O)CCCCC3)=C2)=CC1CO | 1 |
C52H100O6 | CCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C | 1 |
C47H90O6 | CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@@H](C)[C@@H](C)O)=C3C2=CN1CC=C(C)C | 0 |
C40H58N4O11 | CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]2CC[C@]4(O)C[C@@H](OC(=O)CCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC[C@]4(C)[C@H]2CC[C@]3(C)[C@@H]1C1=COC(=O)C=C1 | 1 |
C15H20N2O3S | C=C1[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@]2(C)[C@H]1[C@H](OC(=O)C1=CC=CC=C1)[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(=O)C1=CC=CC=C1)[C@@H]2OC(C)=O | 0 |
C42H48O14 | C=C1[C@H](OC(C)=O)[C@@H](OC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)C(C)(C)[C@@H]2O[C@@H]2[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O | 1 |
C13H10N4O5 | C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 | 0 |
C31H42N4O4 | CC1=CC(C)=CC(NC(=O)[C@H]2[C@@H]3C=C[C@]4(O3)[C@@H]2C(=O)N(CCN2CCCCC2)[C@H]4C(=O)NC2CCCCC2)=C1 | 1 |
C41H78O6 | CC(C)=CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C | 0 |
C31H30Br6N4O10 | COC1=CC=C([C@@H]2CC(=O)OC3=CC4=C(C(=O)O[C@H](C)CCCC(=O)CCCC=C4)C(O)=C32)C=C1OC | 0 |
C17H22O5 | C=C1C(=O)O[C@@H]2CC(C)=C3[C@@H](OC(C)=O)C[C@@](C)(O)[C@@H]3C[C@H]12 | 1 |
C20H32O2 | CC1(C)CCC[C@@]2(C)C3=C[C@H]4[C@H](O)C[C@@]3(CC[C@H]12)C[C@@]4(C)O | 1 |
C48H78O19 | CCC(=O)[C@H]1[C@H](CC)C[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C | 0 |
C15H26O3 | C=C(C)[C@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 | 0 |
C30H28ClNO5 | COC1=CC2=C(C=C1OC)C(C[C@H]1CN(S(=O)(=O)C3=CC=C(Cl)C=C3)CC[C@H]1CC(=O)O)=NCC2 | 0 |
C29H46O17 | C=C[C@@](C)(CC/C=C(\C)C(=O)OC)O[C@H]1O[C@@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O | 1 |
C26H54O2 | OCCCCCCCCCCCCCCCCCCCCCCCCCCO | 1 |
C23H21N7O3 | CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC | 0 |
C59H114O6 | CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC | 1 |
C15H21ClO3 | C#C/C=C/C[C@H]1O[C@H]2C[C@@H](O)[C@@H](CC)O[C@H]2C[C@H]1Cl | 1 |
C12H15N5O3 | CCCC1=C(C2=CC=C3OCCCOC3=C2)C(=O)C2=CC(CC)=C(O)C=C2O1 | 0 |
C19H31N5O2 | CC(=O)N[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC4=CNC5=CC=CC=C45)[C@@H]2C(C)=C(C)[C@H](O)[C@@H]3C=CC[C@H](C)/C=C(/C)[C@@H](O)[C@@H]1O | 0 |
C19H14O6 | CN[C@@H](CC(C)C)C(=O)N[C@H]1/C(O)=N/[C@@H](CC(N)=O)/C(O)=N/[C@H]2/C(O)=N/[C@H]3/C(O)=N/[C@H](/C(O)=N/[C@@H](C(=O)O)C4=CC(O)=CC(O)=C4C4=CC3=CC=C4O)[C@H](O)C3=CC=C(OC4=CC2=CC(=C4O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2C[C@@](C)(N)[C@@H](O)[C@@H](C)O2)OC2=CC=C(C=C2Cl)[C@H]1O)C(Cl)=C3 | 0 |
C19H24O5 | O=C(O)C1=CC=CC=C1N1N=CN=C1CC1=CC=C(O)C=C1 | 0 |