CC(O)=O HMDB0000042
[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO HMDB0000044
NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 HMDB0000045
C[N+](C)(C)CCO HMDB0000097
N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O HMDB0000099
NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1 HMDB0000121
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O HMDB0000125
O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O HMDB0000127
OC=O HMDB0000142
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 HMDB0000145
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 HMDB0000151
[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 HMDB0000153
OC1=NC=NC2=C1NC=N2 HMDB0000157
N[C@@H](CC1=CC=CC=C1)C(O)=O HMDB0000159
OC(=O)[C@@H]1CCCN1 HMDB0000162
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O HMDB0000163
C[C@@H](O)[C@H](N)C(O)=O HMDB0000167
CC[C@H](C)[C@H](N)C(O)=O HMDB0000172
N[C@@H](CC1=CN=CN1)C(O)=O HMDB0000177
NCCCC[C@H](N)C(O)=O HMDB0000182
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1NC=NC2=O HMDB0000195
OC(=O)CC1=CNC2=C1C=CC=C2 HMDB0000197
CC(C)(CO)C(O)C(=O)NCCC(O)=O HMDB0000210
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O HMDB0000215
CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N HMDB0000235
CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 HMDB0000244
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 HMDB0000258
O=C1NC2=C(N1)C(=O)NC(=O)N2 HMDB0000289
O=C1NC2=C(NC=N2)C(=O)N1 HMDB0000292
C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C HMDB0000305
[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(CC[C@]12C)OS(O)(=O)=O HMDB0000416
OC(=O)CCCCC(O)=O HMDB0000448
CC[C@H](N)C(O)=O HMDB0000452
[Ca++] HMDB0000464
[Cl-] HMDB0000492
OC(=O)C1=CC=C(O)C=C1 HMDB0000500
N[C@@H](CCCNC(N)=N)C(O)=O HMDB0000517
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C HMDB0000546
[Mg++] HMDB0000547
N[C@@H](CS)C(O)=O HMDB0000574
[Na+] HMDB0000588
[S--] HMDB0000598
[Cr+3] HMDB0000599
OC[C@H]1O[C@@H]([C@H](O)[C@@H]1OP(O)(=O)O[C@]([H])(C)CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@@]2([H])N([Co]C#N)\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(C)[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]3CCC(=O)N)/C(C)(C)[C@@H]1CCC(=O)N)N1C=NC2=CC(C)=C(C)C=C12 HMDB0000607
[F-] HMDB0000662
CCCCC\C=C/C\C=C/CCCCCCCC(O)=O HMDB0000673
II HMDB0000675
CC(C)C[C@H](N)C(O)=O HMDB0000687
OC(=O)CC(O)=O HMDB0000691
[Fe++] HMDB0000692
CSCC[C@H](N)C(O)=O HMDB0000696
OC(=O)CNC(=O)C1=CC=CC=C1 HMDB0000714
OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O HMDB0000740
NC(CCS)C(O)=O HMDB0000742
OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O HMDB0000757
OC(=O)CCC1=CC=CC=C1 HMDB0000764
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(CC[C@]12C)OS(O)(=O)=O HMDB0000774
O=C1NC(=O)C2=CNNC2=N1 HMDB0000786
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C HMDB0000852
CC(C)CCC[C@@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C HMDB0000876
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C HMDB0000900
CCCC(CCC)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O HMDB0000901
C[N+](C)(C)[O-] HMDB0000925
N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O HMDB0000929
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@@H](CC)C(C)C HMDB0000937
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O HMDB0000939
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O HMDB0000946
CC=O HMDB0000990
CN1CCCC1C1=CC=C[N+](C)=C1 HMDB0001009
C[N+]1=CCCC1C1=CC=CN=C1 HMDB0001010
CN1C(CCC1=O)C1=C[N+](=CC=C1)C1OC(C(O)C(O)C1O)C([O-])=O HMDB0001013
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O HMDB0001032
CN1C(CCC1=O)C1=CN=CC=C1 HMDB0001046
C1CNC(C1)C1=CC=CN=C1 HMDB0001126
C[N+](C)(C)CCCC(O)=O HMDB0001161
[H][C@@]1(O[C@@H]2CC(N(C)C2=O)C2=CC=CN=C2)O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O HMDB0001204
O=C1OC2=CC=CC=C2C=C1 HMDB0001218
CC(=O)NCCC1=CNC2=C1C=C(O)C=C2 HMDB0001238
[Al+3] HMDB0001247
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O HMDB0001262
CN1CCC[C@H]1C1=C[N+](=CC=C1)[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O HMDB0001272
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O HMDB0001296
O=C1CCC(N1)C1=CN=CC=C1 HMDB0001297
[Zn++] HMDB0001303
P HMDB0001315
[Se++] HMDB0001349
N#N HMDB0001371
CC(C)CCON=O HMDB0001382
CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O HMDB0001388
CN1[C@@H](CC(O)C1=O)C1=CN=CC=C1 HMDB0001390
CN1C(CNC2=CC=C(C=C2)C(=O)N[C@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)NC(N)=N2 HMDB0001396
CN1[C@@H](CCC1=O)C1=C[N+]([O-])=CC=C1 HMDB0001411
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OS(O)(=O)=O)=C4)[C@@H]1CCC2=O HMDB0001425
C=O HMDB0001426
[O-]P([O-])([O-])=O HMDB0001429
OC(=O)C1=CN=CC=C1 HMDB0001488
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=CC(O)=C(C)C(C)=C2O1 HMDB0001492
C[N+]1([O-])CCCC1C1=CN=CC=C1 HMDB0001497
CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC=C1 HMDB0001510
N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O HMDB0001514
N1C=CN=C1 HMDB0001525
NCCC1=C(O)C=C(O)C(O)=C1 HMDB0001537
NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)C=N2)C(N)=N1 HMDB0001833
NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)N2)N1 HMDB0001846
CN1C=NC2=C1C(=O)N(C)C(=O)N2C HMDB0001847
CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12 HMDB0001848
CC(C)NCC(O)COC1=CC=CC2=CC=CC=C12 HMDB0001849
COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1 HMDB0001850
CN1C2=C(NC(=O)N2)C(=O)N(C)C1=O HMDB0001857
CC(=O)NC1=CC=C(O)C=C1 HMDB0001859
CN1C=NC2=C1C(=O)N(C)C(=O)N2 HMDB0001860
CO HMDB0001875
CNC[C@H](O)C1=CC(O)=C(OS(O)(=O)=O)C=C1 HMDB0001876
CCCC(CCC)C(O)=O HMDB0001877
CC(C)C1=C(O)C=C(C)C=C1 HMDB0001878
CC(=O)OC1=CC=CC=C1C(O)=O HMDB0001879
CC(O)CO HMDB0001881
CN1C2=C(NC=N2)C(=O)NC1=O HMDB0001886
CN1C2=C(NC=N2)C(=O)N(C)C1=O HMDB0001889
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C HMDB0001893
OC(=O)C1=CC=CC=C1O HMDB0001895
NCCCCCC(O)=O HMDB0001901
COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1C HMDB0001913
CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@H]([C@@H]2O)N(C)C)[C@@](C)(O)C[C@H](C)CN(C)[C@@H](C)[C@@H](O)[C@]1(C)O HMDB0001916
[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 HMDB0001917
NC(N)=NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1 HMDB0001919
[H][C@@]12CCCC[C@@]11CCN(C)[C@@H]2CC2=C1C=C(OC)C=C2 HMDB0001920
CN(C)C(=N)NC(N)=N HMDB0001921
ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0001922
COC1=CC2=C(C=C1)C=C(C=C2)[C@H](C)C(O)=O HMDB0001923
CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1 HMDB0001924
CC(C)CC1=CC=C(C=C1)C(C)C(O)=O HMDB0001925
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 HMDB0001926
CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0001927
NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1 HMDB0001928
C[C@H]1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1 HMDB0001929
CN\C(NCCSCC1=CC=C(CN(C)C)O1)=C/[N+]([O-])=O HMDB0001930
COCCC1=CC=C(OCC(O)CNC(C)C)C=C1 HMDB0001932
NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O HMDB0001933
CN1CCC[C@H]1C1=CN=CC=C1 HMDB0001934
CC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2 HMDB0001935
CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1 HMDB0001936
CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1 HMDB0001937
NCCCC[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O HMDB0001938
[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C HMDB0001939
NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1 HMDB0001940
CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1 HMDB0001941
C[C@@H](N)[C@@H](O)C1=CC=CC=C1 HMDB0001942
CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 HMDB0001943
CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1 HMDB0001944
O=C=O HMDB0001967
CN1C2=C(NC(=O)N2)C(=O)NC1=O HMDB0001970
NC1=CC=CC(C(O)=O)=C1O HMDB0001972
CN1C(=O)NC2=C1NC(=O)NC2=O HMDB0001973
NC(=O)C1=CNC(=O)C=N1 HMDB0001978
CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O HMDB0001979
CN1C(=O)NC2=C1C(=O)NC(=O)N2C HMDB0001982
[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C HMDB0001984
CN1C=NC2=C1C(=O)NC(=O)N2 HMDB0001991
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O HMDB0001999
CN1C(=O)NC2=C1NC(=O)N(C)C2=O HMDB0002026
N[C@@H](CC1=CC(OS(O)(=O)=O)=C(O)C=C1)C(O)=O HMDB0002028
NC[C@H](O)C1=CC(O)=C(OS(O)(=O)=O)C=C1 HMDB0002062
CC(C)CC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O HMDB0002091
O HMDB0002111
CCOC(=O)C1=CC=CC=C1C(O)=O HMDB0002120
CC(C)C1=CC2=C(C(O)=C1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O HMDB0002121
CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2C HMDB0002123
OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1 HMDB0002124
NC1=CC(=O)N=C(N)N1 HMDB0002128
CS(C)=O HMDB0002151
[Co+3].CC(CNC(=O)CCC1(C)C(CC(N)=O)C2[N-]\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=NC2(C)C(C)(CC(N)=O)C4CCC(N)=O)\C(C)(CC(N)=O)C3CCC(N)=O)/C(C)(C)C1CCC(N)=O)OP([O-])(=O)OC1C(CO)OC(C1O)N1C=NC2=C1C=C(C)C(C)=C2 HMDB0002174
CNC[C@H](O)C1=CC(O)=CC=C1 HMDB0002182
[Bi+3] HMDB0002196
OC(=O)CCC1=CC=C(O)C=C1 HMDB0002199
OC(=O)CCOC1=CC=CC=C1 HMDB0002229
CSC HMDB0002303
OC(=O)C(O)=O HMDB0002329
CC(C)C1=CC2=C(C(O)=C1O)[C@]1(CCCC(C)(C)C1CC2)C(O)=O HMDB0002358
OC(=O)C#CC1=CC=CC=C1 HMDB0002359
NCCC(N)C(O)=O HMDB0002362
C\C(\C=C\C=C(/C)C(=O)OC1OC(CO)C(O)C(O)C1O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(=O)OC1O[C@@H](COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O HMDB0002376
[B+3] HMDB0002386
CC1=C(O)C(=CC=C1)C(O)=O HMDB0002390
C\C(\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[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]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O HMDB0002398
[Br-] HMDB0002500
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)O[C@]1([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)CCC(O)=O HMDB0002577
C HMDB0002714
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] HMDB0002720
N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(OS(O)(=O)=O)C(I)=C2)C(I)=C1)C(O)=O HMDB0002728
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O HMDB0002759
CN1C=NC2=C1C(=O)NC(=O)N2C HMDB0002825
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O HMDB0002829
[H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C HMDB0002833
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3 HMDB0002835
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O HMDB0002886
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[H][C@@]12C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@](C)(O)[C@@]5([H])CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@]3([H])[C@@]3(C)C(=O)C=C[C@H](O)C13O2 HMDB0003218
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[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C HMDB0003422
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CC(=C)C1CCC(=CC1)C(O)=O HMDB0004586
[H][C@@]12CC[C@@](O)(CC)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H] HMDB0004626
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[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(Cl)C(=O)C=C[C@]12C HMDB0004634
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CN(C)C(=O)CC1=C(N=C2C=CC(C)=CN12)C1=CC=C(C)C=C1 HMDB0005023
COCCCOC1=C(C)C(CS(=O)C2=NC3=CC=CC=C3N2)=NC=C1 HMDB0005026
CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0005030
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[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2 HMDB0005034
CN1C2=C(C3=CC=CC=C13)C(=O)C(CN1C=CN=C1C)CC2 HMDB0005035
CNS(=O)(=O)CC1=CC2=C(NC=C2CCN(C)C)C=C1 HMDB0005037
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CCCC1=NN(C)C2=C1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(C)CC1 HMDB0005039
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COC1=CC(\C=C\C)=CC=C1O HMDB0005802
COC1=C(O)C=CC(CC=C)=C1 HMDB0005809
OC1=CC2=C(C(=O)C[C@H](O2)C2=CC(O)=C(O)C=C2)C(O)=C1 HMDB0005810
[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C HMDB0005814
C[C@@]12CCC3C(CCC4=C3C=CC(O)=C4O)C1CCC2=O HMDB0005895
[H][C@@]12CC[C@@](O)(CC)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] HMDB0006026
[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(O)C(=O)CC[C@]12C HMDB0006027
OC(=O)CNC(=O)C1=CC(O)=CC=C1 HMDB0006116
[H][C@@]12CC[C@H](O[C@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C HMDB0006203
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3 HMDB0006224
CC1=CC(=O)N(N1)C1=CC=CC=C1 HMDB0006240
C\C(\C=C\C1=C(C)C(O)CCC1(C)C)=C/C=C/C(/C)=C/C(O)=O HMDB0006254
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)CC[C@]12C HMDB0006259
NCCC1=CC(OS(O)(=O)=O)=C(O)C=C1 HMDB0006275
[H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C HMDB0006278
C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(O)=O HMDB0006285
CCCCNC(=O)NS(=O)(=O)C1=CC=C(CO)C=C1 HMDB0006408
CC(O)(C(CC(O)=O)C(O)=O)C(O)=O HMDB0006471
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C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@@H]2O HMDB0006766
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C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C(=O)CC[C@]34C)C1CCC2=O HMDB0010315
CC(=O)NC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1 HMDB0010316
C[C@]12CCC3C(CCC4=C3C=CC(O)=C4)C1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O HMDB0010317
CC12CC(=O)C3C(CCC4CCC(CC34C)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C1CCC2(O)C(O)CO HMDB0010320
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)OC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O HMDB0010321
C[C@]12CCC3C(CCC4=C3C=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C4)C1CC[C@@H]2O HMDB0010322
O[C@@H]1[C@@H](O)[C@H](OC(=O)C2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O HMDB0010324
CCO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O HMDB0010325
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NCCC1=CC(O)=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1 HMDB0010329
[H][C@]12C[C@@H](O)[C@H](OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])C3=C(CC[C@]21[H])C=C(O)C=C3 HMDB0010333
CC(C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1 HMDB0010334
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[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@H]1OC([C@@H](O)C(O)[C@H]1O)C(O)=O HMDB0010339
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[H][C@]12CC3=C(C=C(OC4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3)[C@@]3(CCCC[C@]13[H])CCN2C HMDB0010341
C[C@H](\C=C\[C@H](C)C(C)(C)O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])CCC2\C(CCC[C@]12C)=C\C=C1\CC(O)CCC1=C HMDB0010342
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CCC2\C(CCC[C@]12C)=C\C=C1/CC(CCC1=C)O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O HMDB0010344
[H][C@]12CC3(C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3=CC(=O)CC[C@]3(C)C21 HMDB0010345
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O HMDB0010348
[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3 HMDB0010349
[H][C@@]12CCC(=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O HMDB0010351
CC(O)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OC1OC(C(O)C(O)C1O)C(O)=O HMDB0010352
[H][C@@]12C[C@@H](O)[C@H](O[C@@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 HMDB0010354
[H][C@@]12C[C@@H](OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS(O)(=O)=O)C=C3 HMDB0010356
[H][C@@]12CC3(C(O)O1)C(CC[C@@H]3C(=O)CO)C1CCC3CC(CC[C@]3(C)C21)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O HMDB0010357
[H][C@@]12CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS(O)(=O)=O)C=C3 HMDB0010358
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O HMDB0010359
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CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(C[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O HMDB0010364
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@H]1OC([C@@H](O)C(O)[C@H]1O)C(O)=O HMDB0010365
CN1C(=O)NC2=C(NC=N2)C1=O HMDB0010738
CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2 HMDB0011103
CN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O HMDB0011105
CN(CCCC(=O)C1=CC=CN=C1)N=O HMDB0011603
OC(=O)CNCC(O)=O HMDB0011753
C[C@@H](N)CC1=CC=CC=C1 HMDB0012128
NCCC1=CC(=O)C(=O)C=C1 HMDB0012219
CCN(CC)C(=O)C(=C\C1=CC(=C(O)C(O)=C1)[N+]([O-])=O)\C#N HMDB0012226
CC(NC(C)(C)CO)C(=O)C1=CC(Cl)=CC=C1 HMDB0012235
CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 HMDB0012242
C\C(\C=C\C12OC1(C)CCCC2(C)C)=C/C=C/C(/C)=C/C(O)=O HMDB0012451
C[C@]12CCC3C(CCC4=C3C=C(O)C(OS([O-])(=O)=O)=C4)C1CCC2=O HMDB0012622
C[C@@]12CCC3C(CCC4=C3C=CC(OS(O)(=O)=O)=C4O)C1CCC2=O HMDB0012779
NN HMDB0012973
CNC1=C(C)N(C)N(C1=O)C1=CC=CC=C1 HMDB0013839
CN1N(C(=O)C=C1CO)C1=CC=CC=C1 HMDB0013840
OC(=O)C1=C2N(CC3=CC=C(C=C3)C3=CC=CC=C3C3=NNN=N3)C(O)=NC2=CC=C1 HMDB0013842
CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1C1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O HMDB0013843
CCCCC(=O)NC1(CCCC1)C(=O)NCC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1 HMDB0013845
CCCCC1=NC(Cl)=C(C=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1 HMDB0013846
CCCCC1=NC(Cl)=C(CO)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN(N=N1)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O HMDB0013847
CC(O)CCC(=O)N(CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1)[C@@H](C(C)C)C(O)=O HMDB0013848
CC1=CC(NS(=O)(=O)C2=CC=C(NO)C=C2)=NO1 HMDB0013852
CC(O)=NC1=CC=C(C=C1)S(=O)(=O)NC1=NOC(C)=C1 HMDB0013854
CC1=CC(=NO1)N(C1OC(C(O)C(O)C1O)C(O)=O)S(=O)(=O)C1=CC=C(N)C=C1 HMDB0013855
OC1CCOP(=O)(N1)N(CCCl)CCCl HMDB0013856
ClCCNP1(=O)NCCCO1 HMDB0013858
NP1(=O)OCCCN1CCCl HMDB0013859
[H]C(=O)CCl HMDB0013860
OC1CCOP(=O)(NCCCl)N1CCCl HMDB0013861
CC1=C(NC2=NC=CC(=N2)C2=CN=CC=C2)C=C(NC(=O)C2=CC=C(CN3CCNCC3)C=C2)C=C1 HMDB0013862
CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)C(CO)C=C2)CC1 HMDB0013863
CC1=C(NC2=[NH+]C=CC(=N2)C2=C[N-][CH]C=C2)C=C(NC(=O)C2=CC=C(CN3CCN(C)(=O)CC3)C=C2)C=C1 HMDB0013864
CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC=CC(=N3)C3=CN([O-])CC=C3)=C2)CC1 HMDB0013865
CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCNC)C=C1)C1=CC=CC=C1 HMDB0013866
CC\C(=C(\C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC(O)=C1)C1=CC=CC=C1 HMDB0013868
OC1CC(N2C(=O)C3=CC=CC=C3C2=O)C(=O)NC1=O HMDB0013870
OC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1 HMDB0013871
O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC3OC3C=C12 HMDB0013872
[H][C@](CC(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=CC=C(O)C=C2C1=O HMDB0013880
[H][C@](CC(C)=O)(C1=CC=C(O)C=C1)C1=C(O)OC2=CC=CC=C2C1=O HMDB0013881
[H][C@@](CC(C)=O)(C1=CC=C(O)C=C1)C1=C(O)OC2=CC=CC=C2C1=O HMDB0013882
[H][C@@](CC(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=CC=C(O)C=C2C1=O HMDB0013883
[H][C@@](C(O)C(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O HMDB0013884
[H][C@@](CC(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=C(O)C=CC=C2C1=O HMDB0013885
[H][C@@](CC(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=CC(O)=CC=C2C1=O HMDB0013886
CN(C)CC\C=C1/C2=CC=CC=C2CC(O)C2=CC=CC=C12 HMDB0013888
CNCC\C=C1/C2=CC=CC=C2CC(O)C2=CC=CC=C12 HMDB0013889
CNCC(C1=CC=C(OC)C=C1)C1(O)CCCCC1 HMDB0013892
CCC1(NC(=O)N(C)C1=O)C1=CC=C(O)C=C1 HMDB0013894
OC1C=CC(=CC1O)[C@]1(NC(=O)NC1=O)C1=CC=CC=C1 HMDB0013895
OC1=CC(=CC=C1)[C@]1(NC(=O)NC1=O)C1=CC=CC=C1 HMDB0013896
CCCC(CC=C)C(O)=O HMDB0013897
CCCC(CCCO)C(O)=O HMDB0013898
CCCC(C(O)CC)C(O)=O HMDB0013899
CCCC(CC(C)O)C(O)=O HMDB0013900
CCC\C(=C/CC)C(O)=O HMDB0013902
CCCC(\C=C/C)C(O)=O HMDB0013903
CCCC(\C=C\C)C(O)=O HMDB0013904
OCC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1 HMDB0013911
CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC(O)=C1 HMDB0013912
CC1=C2NC(=O)C3=C(N=CC(O)=C3)N(C3CC3)C2=NC=C1 HMDB0013913
CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1O HMDB0013914
O=S(=O)(CCC1=CC2=C(NC=C2C[C@H]2CCCN2)C=C1)C1=CC=CC=C1 HMDB0013919
OC1CN(CC2=CC=CC=C2Cl)CC2=C1SC=C2 HMDB0013921
ClC1=CC2=C(CCN(CC3=CC=CC=C3Cl)C2)S1 HMDB0013922
ClC1=CC=CC=C1CN1CCC2SC(=O)C=C2C1 HMDB0013923
ClC1=CC=CC=C1C[N+]1=CC2=C(CC1)SC=C2 HMDB0013924
[O-][S+]1C=CC2=C1CCN(CC1=CC=CC=C1Cl)C2 HMDB0013925
ClC1=CC=CC=C1CN1CC2=C(SC=C2)C=C1 HMDB0013926
COC(=O)[C@@H](N1CCC2SC(=O)C=C2C1)C1=CC=CC=C1Cl HMDB0013929
OC1=CC2=C(CCN(C2)C(C(=O)C2CC2)C2=CC=CC=C2F)S1 HMDB0013930
CN(C)CCCN1C2=CC=CC=C2S(=O)C2=CC=CC=C12 HMDB0013938
CNCCCN1C2=CC=CC=C2SC2=CC=CC=C12 HMDB0013939
CN1C(=O)NC(=O)C(C)(C2=CC(O)CCC2)C1=O HMDB0013940
CN1C(=O)NC(=O)C(C)(C1=O)C12CCCCC1O2 HMDB0013941
OCC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12 HMDB0013943
COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC(O)=C1N2 HMDB0013946
COC1=CC(O)=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2 HMDB0013947
COC1=CC=C(O)C=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2 HMDB0013948
OC(CNCCOC1=CC=CC=C1O)COC1=CC=CC2=C1C1=CC=CC=C1N2 HMDB0013949
COC1=CC=CC=C1OCCNCC(O)COC1=CC=C(O)C2=C1C1=CC=CC=C1N2 HMDB0013950
COC1=C(O)C=C2CC(CC3CCN(CC4=CC=CC=C4)CC3)C(=O)C2=C1 HMDB0013958
COC1=C(O)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1 HMDB0013959
COC1=C(OC)C=C2C(=O)C(CC3CCNCC3)CC2=C1 HMDB0013960
COC1=C(O)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1 HMDB0013961
CNCCCC(C#N)(C(C)C)C1=CC(OC)=C(OC)C=C1 HMDB0013962
CC(N(O)C(N)=O)C1=CC2=CC=C(O)C=C2S1 HMDB0013968
CC(N(O)C(N)=O)C1=CC2=CC=CC=C2S1=O HMDB0013969
CC(NC(N)=O)C1=CC2=CC=CC=C2S1 HMDB0013970
CC(C)NCC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1 HMDB0013972
CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(CO)=C1)C(C)C HMDB0013973
OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=C(O)C=C1Cl HMDB0013974
OC(=O)CC1=CC=CC=C1NC1=C(Cl)C(O)=CC=C1Cl HMDB0013976
COC1=CC2=C(NC(C)=C2CC(O)=O)C=C1 HMDB0013988
CC(C(O)=O)C1=CC2=C(C=C1)C=C(O)C=C2 HMDB0013989
CN1C(C(=O)NC2=CC=C(O)C=N2)=C(O)C2=C(C=C(Cl)S2)S1(=O)=O HMDB0013991
NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(CO)C=C1)C(F)(F)F HMDB0013995
CS(=O)(=O)C1=CC=C(C=C1)C1=C(N=CC(Cl)=C1)C1=CN=C(CO)C=C1 HMDB0013997
[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN[C@]([H])(C4)[C@]1([H])CCC2=O HMDB0014004
CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC(O)=CC=C2N1 HMDB0014008
CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)(=O)C1=NC2=CC=CC=C2N1 HMDB0014009
COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(CO)C(OC)=C1C HMDB0014010
COC1=C(C)C(CS(=O)C2=NC3=C(N2)C=C(O)C=C3)=NC=C1C HMDB0014011
COC1=CC2=C(C=C1)N=C(N2)S(=O)(=O)CC1=NC=C(C)C(OC)=C1C HMDB0014012
COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1CO HMDB0014013
CNC1(CCC(O)CC1=O)C1=CC=CC=C1Cl HMDB0014016
CNC1(CC(O)CCC1=O)C1=CC=CC=C1Cl HMDB0014017
CC(C)C1=CC(O)=CC(C(C)C)=C1O HMDB0014018
CNCCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 HMDB0014021
OC1=CC=C(C=C1)C(F)(F)F HMDB0014023
CCCNC(=O)NS(=O)(=O)C1=C(O)C=C(Cl)C=C1 HMDB0014024
CCCNC(=O)NS(=O)(=O)C1=CC(O)=C(Cl)C=C1 HMDB0014025
NC(=O)NS(=O)(=O)C1=CC=C(Cl)C=C1 HMDB0014026
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CC(O)CC2C1 HMDB0014027
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCC(O)C2C1 HMDB0014028
OCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1 HMDB0014029
CC(C)N1C(\C=C\[C@H](O)C[C@H](O)CC(O)=O)=C(C2=CC=C(F)C=C2)C2=CC=C(O)C=C12 HMDB0014037
O[C@@H](C[C@@H](O)\C=C\C1=C(C2=CC=CC=C2N1)C1=CC=C(F)C=C1)CC(O)=O HMDB0014038
CC(C)N1C(\C=C\[C@H](O)C[C@H](O)CC(O)=O)=C(C2=CC=C(F)C=C2)C2=CC(O)=CC=C12 HMDB0014039
COC1=CC2=C(C[C@@H]3NCC[C@]22CCCC[C@H]32)C=C1 HMDB0014045
CN1C(C(=O)NC2=NC=C(O)C=C2)=C(O)C2=C(C=CC=C2)S1(=O)=O HMDB0014096
CN1\C(=C(/O)NC2=CC=C(O)C=N2)C(=O)C2=C(C=CS2)S1(=O)=O HMDB0014098
OC(=O)C(F)(F)F HMDB0014118
COC1=C(O)C=CC(=C1)C(CCCN(C)CCC1=CC(OC)=C(OC)C=C1)(C#N)C(C)C HMDB0014246
OC1CC(O)C(\C=C\C(F)(F)COC2=CC=CC=C2)C1C\C=C/CCCC(O)=O HMDB0014256
NCC\C=C1/C2=CC=CC=C2CC(O)C2=CC=CC=C12 HMDB0014257
OC(=O)CC1=C(S)CCN(C1)C(C(=O)C1CC1)C1=CC=CC=C1F HMDB0014258
CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O HMDB0014259
NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O HMDB0014260
CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O HMDB0014261
C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)O)C(=O)N1 HMDB0014262
C\C(\C=C\C=C(/C)\C=C\C1C(C)=CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C HMDB0014284
CCCC(=O)O[C@H](COC(=O)CC)COP(O)(=O)OC[C@H](N)C(O)=O HMDB0014291
OC(=O)CCCC[C@@H]1CCSS1 HMDB0014312
CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C HMDB0014315
COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F HMDB0014322
CCCCC(=O)N(CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)[C@@H](C(C)C)C(O)=O HMDB0014323
[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC HMDB0014324
C[C@@H](CC1=CC(O)=C(O)C=C1)[C@H](C)CC1=CC(O)=C(O)C=C1 HMDB0014325
[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO HMDB0014326
NCC(CC(O)=O)C1=CC=C(Cl)C=C1 HMDB0014327
CC(N)CC1=CC=CC=C1 HMDB0014328
CSCC[C@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)CCNC(=O)OCC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O HMDB0014329
CN1CCCC1C1=CN=CC=C1 HMDB0014330
CC1O[C@@]2(CS1)CN1CCC2CC1 HMDB0014331
OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Cl)=C2 HMDB0014332
COC(=O)CCC1=CC=C(OCC(O)CNC(C)C)C=C1 HMDB0014333
CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CN=CC=N1)B(O)O HMDB0014334
[H]C(Cl)=CC(O)(CC)C#C HMDB0014335
O.C[C@@](CC1=CC(O)=C(O)C=C1)(NN)C(O)=O HMDB0014336
CC(C)(N)CC1=CC=CC=C1 HMDB0014337
CC(C)NCCCC1(C(N)=O)C2=CC=CC=C2C2=CC=CC=C12 HMDB0014338
COC1=CC=CC(=C1)[C@@]1(O)CCCC[C@@H]1CN(C)C HMDB0014339
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O HMDB0014340
CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1 HMDB0014341
OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1 HMDB0014342
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 HMDB0014343
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O HMDB0014344
[H]O[Co+]N1\C2=C(C)/C3=N/C(=C\C4=N\C(=C(C)/C5=N[C@@](C)([C@@]1([H])[C@H](CC(=O)N)[C@@]2(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO)N1C=NC2=CC(C)=C(C)C=C12)[C@@](C)(CC(N)=O)[C@@H]5CCC(=O)N)\[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)/C(C)(C)[C@@H]3CCC(=O)N HMDB0014345
C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C HMDB0014347
CN(CCOC1=CC=C(NS(C)(=O)=O)C=C1)CCC1=CC=C(NS(C)(=O)=O)C=C1 HMDB0014349
CCC1=C(C(N)=NC(N)=N1)C1=CC=C(Cl)C=C1 HMDB0014350
[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 HMDB0014351
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O HMDB0014352
ClC1=CC=CC=C1CN1CCC2=C(C1)C=CS2 HMDB0014353
OC(C(=O)OC1CC2CCC(C1)[N+]21CCCC1)(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0014354
COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2 HMDB0014355
COC1=CC(C(O)CNC(=O)CN)=C(OC)C=C1 HMDB0014356
CC(C)(C)S(=O)(=O)C[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@H](O)C1CC1 HMDB0014357
CC(C)NC(=O)NS(=O)(=O)C1=C(NC2=CC=CC(C)=C2)C=CN=C1 HMDB0014359
CN1CCC[C@@H]1CC1=CNC2=C1C=C(CCS(=O)(=O)C1=CC=CC=C1)C=C2 HMDB0014361
CN\C(NCC1=CC=CC=C1)=N/C HMDB0014362
[H][C@]12CN(C[C@@]1([H])NCCC2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1OC)C(O)=O HMDB0014363
CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1 HMDB0014364
[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CSC1=CC=CC=C1)NC(=O)C1=C(C)C(O)=CC=C1)[C@@H](C2)C(=O)NC(C)(C)C HMDB0014365
CCC(NC(C)C)C(O)C1=CC(O)=C(O)C=C1 HMDB0014366
CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O HMDB0014367
[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C HMDB0014368
CC(C)(C)NC(=O)[C@@H]1CN(CC2=CN=CC=C2)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12 HMDB0014369
[Gd+3]1234567[N](CC(=[O]1)NC)(CC[N]2(CC(=O)[O-]3)CC[N]4(CC(=[O]5)NC)CC(=O)[O-]6)CC(=O)[O-]7.[H]O[H] HMDB0014370
NC(N)=NCC1COC2(CCCCC2)O1 HMDB0014371
[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC HMDB0014372
FC(F)OC(F)(F)C(F)Cl HMDB0014373
[H][C@]12SCC(CSC3=NN=NN3CCN(C)C)=C(N1C(=O)[C@H]2NC(=O)CC1=CSC(N)=N1)C(O)=O HMDB0014374
CC(C)C[C@H](CN)CC(O)=O HMDB0014375
CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1 HMDB0014376
CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O HMDB0014377
NC1=CC(O)=C(C=C1)C(O)=O HMDB0014378
[H][C@]1(CNCCO1)[C@@H](OC1=CC=CC=C1OCC)C1=CC=CC=C1 HMDB0014379
CC1=C(C=C(C#N)C(=O)N1)C1=CC=NC=C1 HMDB0014380
BrCCC(=O)N1CCN(CC1)C(=O)CCBr HMDB0014381
CCC(C)C1(CC)C(=O)NC(=O)NC1=O HMDB0014382
CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1 HMDB0014383
ClC1=CC(Cl)=C(CO\N=C(\CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 HMDB0014384
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C HMDB0014385
CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O HMDB0014386
NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1 HMDB0014387
COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1 HMDB0014388
NC1=CC(C(O)=O)=C(O)C=C1 HMDB0014389
[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(C1=CC=CC=C1)C1=CC=CC=C1)N2C HMDB0014390
ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1 HMDB0014391
[H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)NC(CC)CO HMDB0014392
[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC HMDB0014393
OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(I)C(=O)NC1=O HMDB0014394
NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1 HMDB0014395
CC(C)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1 HMDB0014396
O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0014397
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C HMDB0014398
[H][C@@]12[C@@H](C)C3=C(C(O)=CC=C3)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])[C@H]2O HMDB0014399
CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 HMDB0014400
[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C(O)[C@H]2N(C)C HMDB0014401
NC1=CC=C(C=C1)S(N)(=O)=O HMDB0014404
N[C@@H]1CONC1=O HMDB0014405
ClC1=CC=C2N=C3NC(=O)CN3CC2=C1Cl HMDB0014406
ClCCNC(=O)N(CCCl)N=O HMDB0014407
CC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C HMDB0014408
CCN(C(=O)C=CC)C1=CC=CC=C1C HMDB0014410
OC1=C(CC2=C(O)C3=C(OC2=O)C=CC=C3)C(=O)OC2=C1C=CC=C2 HMDB0014411
[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O HMDB0014412
CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1 HMDB0014413
COC1=CC=C(C=C1)C(Cl)=C(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1 HMDB0014414
COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C HMDB0014415
CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I HMDB0014416
NCCC1=CC=NN1 HMDB0014417
[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSCC#N)OC)C(O)=O HMDB0014419
CCCC1=NC(=C(N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1)C(O)=O)C(C)(C)O HMDB0014420
COC1=C(NC2=C3C=CC=CC3=NC3=CC=CC=C23)C=CC(NS(C)(=O)=O)=C1 HMDB0014421
C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C1=CC=CC2=C1NC[C@H](C)C2 HMDB0014423
CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=NC=CC=C1)C(C)C HMDB0014425
CCN(CC)CC(=O)NC1=C(C)C=CC=C1C HMDB0014426
NCCC(O)(P(O)(O)=O)P(O)(O)=O HMDB0014427
CN1CCC[C@@H]1CCO[C@](C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1 HMDB0014428
C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O HMDB0014429
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COC1=CC=CC(=C1)C(F)(F)F HMDB0014432
[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC1(CCCC1)O2)C(=O)COC(C)=O HMDB0014433
CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1 HMDB0014434
C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)C1=C(C)C(N)=NC(=N1)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@H](OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CN=CN1)C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCC[S+](C)C HMDB0014435
OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl HMDB0014436
CCOC(=O)C1=CN=CN1[C@H](C)C1=CC=CC=C1 HMDB0014437
CN(CC1=CC2=C(NC(C)=NC2=O)C=C1)C1=CC=C(S1)C(=O)N[C@@H](CCC(O)=O)C(O)=O HMDB0014438
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] HMDB0014439
[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O HMDB0014440
CCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C HMDB0014441
CCCCN1CCCCC1C(=O)NC1=C(C)C=CC=C1C HMDB0014442
CC1=CC=CC=C1N1CCN(CCC2=NN=C3CCCCN23)CC1 HMDB0014443
NC1=NC(=O)C2=C(N1)N(CCC(CO)CO)C=N2 HMDB0014444
C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(O)(O)=O HMDB0014445
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(F)C=CC=C1Cl)C(O)=O HMDB0014446
NC[C@H]1CC[C@@H](CC1)C(O)=O HMDB0014447
[H][C@]12[C@@H](C)C(S[C@]3([H])CN[C@@]([H])(C3)C(=O)NC3=CC=CC(=C3)C(O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O HMDB0014448
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H] HMDB0014449
CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(C)C1=O HMDB0014450
CCC(C)C1(CC=C)C(=O)N(C)C(=O)N(C)C1=O HMDB0014451
CC1=CC2=C(C=C1C(=C)C1=CC=C(C=C1)C(O)=O)C(C)(C)CCC2(C)C HMDB0014452
CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1 HMDB0014453
[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(N)=O)[C@]1(C[C@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC HMDB0014454
NS(=O)(=O)C1=C(Cl)C=CC(=C1)C1(O)NC(=O)C2=CC=CC=C12 HMDB0014455
CCOC1=CC2=C(C=C1)N=C(S2)S(N)(=O)=O HMDB0014456
CCCC(C)C1(CC)C(=O)NC(=O)NC1=O HMDB0014457
[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O.[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O HMDB0014459
CN(C)CCC1=CNC2=CC=C(C[C@H]3COC(=O)N3)C=C12 HMDB0014460
COC1=C(OCCCN2CCOCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1 HMDB0014462
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=CC=C1)C(O)=O HMDB0014464
[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O HMDB0014465
CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 HMDB0014466
OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(F)C(=O)NC1=O HMDB0014467
CC1=CC=C(C=C1)C(=O)C1=CC(=C(O)C(O)=C1)[N+]([O-])=O HMDB0014468
[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C HMDB0014469
O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N HMDB0014470
[Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O HMDB0014471
[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O HMDB0014472
COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O HMDB0014473
CC[C@@H](CO)NCCN[C@@H](CC)CO HMDB0014474
[Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)C1=CC=CC=C1)[N@+]2(C)C(C)C HMDB0014476
CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0014477
NC(=O)N\N=C\C1=CC=C(O1)[N+]([O-])=O HMDB0014480
[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@H]([C@@H](C)[C@@H](O)CC(=O)[C@H](CC)\C=C(C)/C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@H](Cl)[C@@H](C1)OC HMDB0014481
NC(=O)C1=NC=CN=C1 HMDB0014483
CN1CCCC(CC2C3=CC=CC=C3SC3=CC=CC=C23)C1 HMDB0014484
CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0014486
COC1=CC=C(C=C1)[C@@H]1SC2=CC=CC=C2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O HMDB0014487
CNCCCC1C2=CC=CC=C2C=CC2=CC=CC=C12 HMDB0014488
COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N(C)CCCNC(=O)C1CCCO1 HMDB0014490
CN1C(=O)OC(C)(C)C1=O HMDB0014491
[O-][N+](=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1C(=O)CCCC1=O HMDB0014492
CN1C2=C(C=C(Cl)C=C2)N(C2=CC=CC=C2)C(=O)CC1=O HMDB0014493
NC1=CC(=NC(N)=[N+]1[O-])N1CCCCC1 HMDB0014494
[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C HMDB0014495
NC1=NC(=S)C2=C(N1)N=CN2 HMDB0014496
[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N[C@@H](CC)CO HMDB0014497
CC(C)(C)C1=CC=C(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1 HMDB0014498
C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(=O)O)\C2=CSC([NH3+])=N2)C(=O)N1S([O-])(=O)=O HMDB0014499
ClC1=CC2=C(OC(=O)N2)C=C1 HMDB0014500
CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1 HMDB0014501
OC(C1CCCCN1)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F HMDB0014502
NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=N1 HMDB0014503
[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@@]2(O)C(=O)OC)[C@@]13[H])[C@]1(C[C@@]2([H])CN(CC(CC)=C2)CC2=C1NC1=CC=CC=C21)C(=O)OC HMDB0014505
[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@@H](C)O)NC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1)[C@@H](C)O HMDB0014506
CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12 HMDB0014507
O[Al](O)OS(=O)(=O)OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)O[Al](O)O)O[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]2OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O HMDB0014508
CC1CN(CCN1)C1=C(F)C(C)=C2C(=O)C(=CN(C3CC3)C2=C1)C(O)=O HMDB0014509
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] HMDB0014511
NC1=NC(=O)N(C[C@@H](CO)OCP(O)(O)=O)C=C1 HMDB0014513
CN1CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1 HMDB0014514
CCCC(C)(COC(N)=O)COC(N)=O HMDB0014515
CCSC1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1 HMDB0014516
CC(C)(C)NCC(O)COC1=NSN=C1N1CCOCC1 HMDB0014517
[H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC1=C(C2)C(OCC(O)=O)=CC=C1 HMDB0014518
ClCC1CO1.NCCNCCNCCNCCN HMDB0014519
OC(CCN1CCCCC1)(C1CCCCC1)C1=CC=CC=C1 HMDB0014520
[H][C@@]12CCCC3=C1C(=CC=C3)C(=O)N(C2)[C@@H]1CN2CCC1CC2 HMDB0014521
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@@]12C HMDB0014522
CC(N)COC1=C(C)C=CC=C1C HMDB0014523
C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1 HMDB0014524
NC1=C2CCCCC2=NC2=CC=CC=C12 HMDB0014526
CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1 HMDB0014527
CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](OC2CC(NC(=O)C(F)(F)F)C(O)C(C)O2)C2=C(C1)C(O)=C1C(=O)C3=C(C(=O)C1=C2O)C(OC)=CC=C3 HMDB0014529
OC(CCN1CCCC1)(C1CCCCC1)C1=CC=CC=C1 HMDB0014531
CCOC(=O)N1C=CN(C)C1=S HMDB0014533
CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O HMDB0014535
CCN(CC)C(C)CN1C2=CC=CC=C2SC2=CC=CC=C12 HMDB0014536
COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C HMDB0014537
[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C HMDB0014538
CCCC(C)(COC(N)=O)COC(=O)NC(C)C HMDB0014539
CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1 HMDB0014542
OC(CN1C=CN=C1)(P(O)(O)=O)P(O)(O)=O HMDB0014543
COC1=CC(OC)=C(Cl)C2=C1C(=O)[C@]1(O2)[C@H](C)CC(=O)C=C1OC HMDB0014544
COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C HMDB0014545
CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1 HMDB0014546
[H][C@](NC(=O)[C@H](CC1=CC=C(OS(O)(=O)=O)C=C1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O HMDB0014547
CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12 HMDB0014548
CN(C)CC[C@@H](C1=CC=C(Br)C=C1)C1=CC=CC=N1 HMDB0014549
CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C HMDB0014550
CC(=O)NC1C(O)OC(COS(O)(=O)=O)C(OC2OC(C(OC3OC(CO)C(OC4OC(C(O)C(O)C4OS(O)(=O)=O)C(O)=O)C(OS(O)(=O)=O)C3NS(O)(=O)=O)C(O)C2OS(O)(=O)=O)C(O)=O)C1O HMDB0014551
CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2 HMDB0014552
CCN1CCC[C@H]1CNC(=O)C1=C(OC)C=CC(Br)=C1OC HMDB0014553
C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O HMDB0014554
[Cl-].C[N+](C)(C)CCOC(N)=O HMDB0014555
CCCN[C@H]1CCC2=C(C1)SC(N)=N2 HMDB0014557
CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1 HMDB0014558
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O HMDB0014559
[I-].[I-].[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3 HMDB0014560
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC1=CC=CC=C1)C(O)=O HMDB0014561
CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O HMDB0014562
CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO HMDB0014563
CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12 HMDB0014564
[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O HMDB0014565
COC(=O)C(C1CCCCN1)C1=CC=CC=C1 HMDB0014566
COC1=CC=CC=C1OCC(O)COC(N)=O HMDB0014567
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1 HMDB0014568
CC(=O)OCC(CCN1C=NC2=CN=C(N)N=C12)COC(C)=O HMDB0014570
CC1=CC=C(C=C1)C(=C/CN1CCCC1)\C1=CC=CC=N1 HMDB0014571
CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O HMDB0014572
OCC([NH3+])(CO)CO.CCCCC[C@@](O)(C)\C=C\[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)[O-] HMDB0014573
[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](NC(=O)C1=C(O)C=C(C)N=C1)C1=CC=C(O)C=C1)C(O)=O HMDB0014574
Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl HMDB0014575
OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(C(=O)NC1=O)C(F)(F)F HMDB0014576
CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1 HMDB0014577
CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12 HMDB0014578
NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F HMDB0014580
O=C1N=CN=C2NNC=C12 HMDB0014581
[O-]C(=O)C1=C(CS[C@]2([H])[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\C3=CSC(N)=N3)C(=O)N12)C[N+]1=CC=CC=C1 HMDB0014582
COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC HMDB0014583
NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F HMDB0014584
NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](CO)C1=C HMDB0014585
[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C HMDB0014586
[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@H]2O[C@@H]1O[C@]2([H])COC(O[C@@]2([H])[C@H](O)[C@H]1O)C1=CC=CS1 HMDB0014587
COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O HMDB0014588
OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O HMDB0014589
N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)C1=CC=CC=C1 HMDB0014590
CNCC(O)C1=CC(OC(=O)C(C)(C)C)=C(OC(=O)C(C)(C)C)C=C1 HMDB0014592
FC1=CC=C(C=C1)C(=O)CCCN1CCC(=CC1)N1C(=O)NC2=CC=CC=C12 HMDB0014593
[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(=O)NCO)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC(Cl)=C1[C@@]3(C)O HMDB0014596
CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1 HMDB0014597
[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CS1)C(O)=O HMDB0014599
COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1 HMDB0014600
COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1 HMDB0014602
COC(=O)CCC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CCC(O)=O)=C5C)C(C=C)=C4C)C2=CC=C([C@@H](C(=O)OC)[C@@]32C)C(=O)OC)=C1C HMDB0014603
COC1=CC2=C(C=C1)C=C(CCC(C)=O)C=C2 HMDB0014604
[Br-].[H][C@]12C[C@@H](C[C@@]([H])(C3OC13)[N+]2(C)C)OC(=O)[C@H](CO)C1=CC=CC=C1 HMDB0014605
CCC1(CC)C(=O)NC(=O)N(C)C1=O HMDB0014606
[Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O HMDB0014607
OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1 HMDB0014608
[H][C@@]12OC(=O)[C@@]34OC3C[C@@](O)(C3[C@@H](C1OC3=O)C(C)=C)[C@@]24C.[H][C@@]12C[C@@]3(O)C4[C@@H](C(OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C)C(C)(C)O HMDB0014609
CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N=C12)N1CCNCC1 HMDB0014610
[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C1=CC=NC2=CC=C(OC)C=C12 HMDB0014611
CN1\C(=C(/O)NC2=CC=CC=N2)C(=O)C2=C(C=CS2)S1(=O)=O HMDB0014612
[H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)OC1=C2C(O)=CC(CCCCC)=C1 HMDB0014613
OC(=O)CC1(CC1)CS[C@H](CCC1=CC=CC=C1C(O)(C)C)C1=CC=CC(\C=C\C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1 HMDB0014614
CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1 HMDB0014615
CC(CNC1CCCCC1)OC(=O)C1=CC=CC=C1 HMDB0014616
CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O HMDB0014617
CNC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=N(=O)C1 HMDB0014618
CNCC[C@H](OC1=CC=CC2=CC=CC=C12)C1=CC=CS1 HMDB0014619
CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2 HMDB0014620
CC(N)C12CC3CC(CC(C3)C1)C2 HMDB0014621
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O HMDB0014622
NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O HMDB0014623
OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2 HMDB0014624
[I-].[I-].[I-].CC[N+](CC)(CC)CCOC1=CC=CC(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC HMDB0014626
BrC1=C(NC2=NCCN2)C=CC2=NC=CN=C12 HMDB0014627
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(Cl)C=CC=C1Cl)C(O)=O HMDB0014628
[H][C@@]12CC(=O)CC[C@@]1([H])C(C)(C)OC1=CC(=CC(O)=C21)C(C)(C)CCCCCC HMDB0014629
CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCN(C)CC1 HMDB0014630
CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C HMDB0014631
CC(C)NCC(O)C1=CC=C(NS(C)(=O)=O)C=C1 HMDB0014632
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=NC=CC=N1 HMDB0014633
OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO HMDB0014634
CCC(=O)OC(OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N1C[C@@H](C[C@H]1C(O)=O)C1CCCCC1)C(C)C HMDB0014635
[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O HMDB0014636
CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O HMDB0014638
NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3)C=C2)C1)(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0014639
[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CCC2=O HMDB0014640
O=C1C(C(=O)C2=CC=CC=C12)C1=CC=CC=C1 HMDB0014641
CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F HMDB0014642
CN1C(CC(O)=O)=CC=C1C(=O)C1=CC=C(C)C=C1 HMDB0014643
C\N=C(\NCCSCC1=C(C)NC=N1)NC#N HMDB0014644
OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 HMDB0014645
CC(C)[C@H](NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CN=CS1)CC1=CC=CC=C1 HMDB0014646
[H][C@@]12CCCC[C@@]11CCN(CC=C)[C@@H]2CC2=C1C=C(O)C=C2 HMDB0014647
CC[N+](CC)(CC)CCC(O)(C1CCCCC1)C1=CC=CC=C1 HMDB0014648
CC(=O)OC1=CC=CC=C1C(=O)NC1=NC=C(S1)[N+]([O-])=O HMDB0014649
CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F HMDB0014650
N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O HMDB0014651
[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1 HMDB0014652
CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)C2=CC=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]4C[C@](C)(N)[C@H](O)[C@H](C)O4)C4=CC(=C3)[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H]1C3=CC(=C(O)C=C3)C3=C(O)C=C(O)C=C3[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C1=CC(Cl)=C(O4)C=C1)C(O)=O)C(Cl)=C2 HMDB0014653
N[Pt](N)(Cl)Cl HMDB0014656
O.O.O.O.[Al].[Al].O=[Si]=O HMDB0014657
[Br-].CCCC(CCC)C(=O)O[C@H]1CC2CCC(C1)[N+]2(C)C HMDB0014658
CCCSC1=CC2=C(C=C1)N=C(NC(=O)OC)N2 HMDB0014659
[H][C@@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O HMDB0014660
CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@H](O)CCN HMDB0014661
CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(=O)N2 HMDB0014662
OC(=O)C1=CC=C(NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)C2=CC=CC=C2)C=C1 HMDB0014663
CC1NC2=CC(Cl)=C(C=C2C(=O)N1C1=CC=CC=C1C)S(N)(=O)=O HMDB0014665
O=C1O[Pt]2(N[C@@H]3CCCC[C@H]3N2)OC1=O HMDB0014667
CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC HMDB0014668
COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)(C)CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0014669
OC(=O)P(O)(O)=O HMDB0014670
COCCOC1=C(OCCOC)C=C2C(NC3=CC=CC(=C3)C#C)=NC=NC2=C1 HMDB0014671
ClCCN(CCCl)P1(=O)NCCCO1 HMDB0014672
CCC1(NC(=O)N(C)C1=O)C1=CC=CC=C1 HMDB0014673
COC(CNC(N)=O)C[Hg]Cl HMDB0014674
[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/O)\C1=CSC(N)=N1)C(O)=O HMDB0014675
OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O HMDB0014677
[Gd+3].COCCNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NCCOC)CC([O-])=O)CC([O-])=O HMDB0014678
CN(C)CCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1 HMDB0014679
CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 HMDB0014680
[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C=O)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC HMDB0014681
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCC2=CC=CC=C2N(CC(O)=O)C1=O HMDB0014682
ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1 HMDB0014683
FC1=CNC(=O)NC1=O HMDB0014684
CN(C)C(=O)OC1=C[N+](C)=CC=C1 HMDB0014685
CN(C)CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12 HMDB0014686
[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C HMDB0014687
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CCCCCCCCCCCCCCCCCCCCCCO HMDB0014770
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CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12 HMDB0014821
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O HMDB0014822
[H][C@@]12CN(C[C@]1([H])C2N)C1=C(F)C=C2C(=O)C(=CN(C3=C(F)C=C(F)C=C3)C2=N1)C(O)=O HMDB0014823
O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O HMDB0014824
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C HMDB0014825
COC1=C(C\C=C(/C)CCC(=O)OCCN2CCOCC2)C(O)=C2C(=O)OCC2=C1C HMDB0014826
[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O HMDB0014827
CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F HMDB0014828
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC(OC)=C(OC)C=C2C[C@H]1C(O)=O HMDB0014829
CC1=CC=C(C=C1)N(CC1=NCCN1)C1=CC(O)=CC=C1 HMDB0014830
OC1=CC2=C(C=C1)C1(OC(=O)C3=CC=CC=C13)C1=C(O2)C=C(O)C=C1 HMDB0014831
COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(C)=O)C(O)=C1C2=O HMDB0014832
[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O HMDB0014834
ClC1=C(NC2=NCCN2)C2=NSN=C2C=C1 HMDB0014835
[O-][N+](=O)C1=CC=C(O1)\C=N/N1CC(=O)NC1=O HMDB0014836
[H][C@@]12CC3=CN(C)C4=CC=CC(=C34)[C@]1(C[C@@H](COC(=O)C1=CC(Br)=CN=C1)CN2C)OC HMDB0014837
[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)C[C@H]1O[C@@]11[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)C(=O)OC HMDB0014838
CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1 HMDB0014839
CN1N=C(S\C1=N/C(C)=O)S(N)(=O)=O HMDB0014841
[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=O HMDB0014842
CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=C(N1)C=CC(NS(C)(=O)=O)=C2 HMDB0014843
CCOC1=CC=CC=C1OCCN[C@H](C)CC1=CC(=C(OC)C=C1)S(N)(=O)=O HMDB0014844
CCC(=O)N(C1=CC=CC=C1)C1(COC)CCN(CCC2=CC=CS2)CC1 HMDB0014846
NC1=NC(=O)N(C=C1)[C@@H]1CS[C@H](CO)O1 HMDB0014847
CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O HMDB0014848
CCN(CC)C(=O)N1CCN(C)CC1 HMDB0014849
CC(C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1 HMDB0014850
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1)C(O)=O HMDB0014851
[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C23 HMDB0014852
FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1 HMDB0014853
CCCC1=C2N(CC)C(=CC(=O)C2=CC2=C1OC(=CC2=O)C(O)=O)C(O)=O HMDB0014854
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] HMDB0014855
CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N)N=CN=C12)OCOC(=O)C(C)(C)C HMDB0014856
CN1CCC(CC1)=C1C2=CC=CC=C2CCC2=C1N=CC=C2 HMDB0014857
OP(O)(=O)C(Cl)(Cl)P(O)(O)=O HMDB0014858
CCN(CC)CCOC(=O)C1=CC=C(N)C=C1 HMDB0014859
COC1=CC(C(O)C(C)N)=C(OC)C=C1 HMDB0014861
CC(C)CN1C=NC2=C1C1=CC=CC=C1N=C2N HMDB0014862
[Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)C1=CC=CC=C1 HMDB0014863
CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12 HMDB0014864
[O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O HMDB0014865
[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1 HMDB0014866
COS([O-])(=O)=O.C[N+]1(C)CCC(CC1)=C(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0014867
N1C2=CC=CC=C2N=C1C1=CSC=N1 HMDB0014868
CC(C)C1CC[C@@H](CC1)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O HMDB0014869
COC1=C(OC)C=C(CC2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3C2CC2=CC(OC)=C(OC)C=C2)C=C1 HMDB0014870
C[N+]1=C(\C=N\O)C=CC=C1 HMDB0014871
CN(CC=CC1=CC=CC=C1)CC1=CC=CC2=CC=CC=C12 HMDB0014873
COC1=CC2=C(NC(=N2)[S@@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1 HMDB0014874
CC1=CC(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=CC=C1 HMDB0014875
NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1 HMDB0014876
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N1C(=O)[C@H](NC1(C)C)C1=CC=CC=C1)C(O)=O HMDB0014877
NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2 HMDB0014878
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C HMDB0014879
[Gd+3].CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)CN(CCN(CCN(CC(O)=O)C(COCC1=CC=CC=C1)C([O-])=O)CC([O-])=O)CC([O-])=O HMDB0014881
CC(N(O)C(N)=O)C1=CC2=CC=CC=C2S1 HMDB0014882
NC(=O)CS(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0014883
CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN HMDB0014884
CN(C)CCOC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1 HMDB0014886
CCC1=C2NC3=C(CCOC3(CC)CC(O)=O)C2=CC=C1 HMDB0014887
CCCNC(C)C(=O)NC1=CC=CC=C1C HMDB0014888
NC1=NCC2N1C1=CC=CC=C1CC1=CC=CC=C21 HMDB0014889
N[C@@H]1CC1C1=CC=CC=C1 HMDB0014890
FC(F)OC(Cl)C(F)(F)F HMDB0014891
CCN1C(=O)NC(C1=O)C1=CC=CC=C1 HMDB0014892
OC1=C(CC2=C(O)C(Cl)=CC(Cl)=C2Cl)C(Cl)=C(Cl)C=C1Cl HMDB0014894
[H][C@]12CC(CC3CC(C1)C(=O)CN23)OC(=O)C1=CNC2=CC=CC=C12 HMDB0014895
[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O HMDB0014897
[H][C@]1([C@@H](C)O)C(=O)N2C(C(O)=O)=C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)[C@H](C)[C@]12[H] HMDB0014898
CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=C1C=C(OC(=O)N1CCC(CC1)N1CCCCC1)C=C2 HMDB0014900
CN1C=CNC1=S HMDB0014901
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C HMDB0014902
C[C@](N)(CC1=CC=C(O)C=C1)C(O)=O HMDB0014903
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)\C(O2)=C\CO HMDB0014904
CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O HMDB0014905
CN(C)CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2 HMDB0014906
[H][C@@]12CC[C@](O)(C(=O)COC(=O)CN(CC)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C HMDB0014907
C[N@@+]12CC[C@@H](CC1)C(C2)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0014909
CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC HMDB0014910
[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@H]2O[C@@H]1O[C@]2([H])CO[C@@H](C)O[C@@]2([H])[C@H](O)[C@H]1O HMDB0014911
NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F HMDB0014912
CCCCS(=O)(=O)N[C@@H](CC1=CC=C(OCCCCC2CCNCC2)C=C1)C(O)=O HMDB0014913
NC(=O)N1C2=CC=CC=C2CC(=O)C2=CC=CC=C12 HMDB0014914
CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CC(C)N(C)C)C=C1 HMDB0014915
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O HMDB0014916
CCN1C=C(C(O)=O)C(=O)C2=C1N=C(C)C=C2 HMDB0014917
NNCCC1=CC=CC=C1 HMDB0014918
CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCN)NC1=O)C(C)O HMDB0014919
CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12)C(C)C HMDB0014920
CC1=C(C)C(NC2=CC=CC=C2C(O)=O)=CC=C1 HMDB0014922
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C HMDB0014924
NC1=NC(=O)C2=C(N1)N(COCCO)C=N2 HMDB0014925
[Gd+3].CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O HMDB0014927
[H][C@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O HMDB0014928
ClCCN(CCCl)C1=CNC(=O)NC1=O HMDB0014929
CN(C)CCN(CC1=CC=CC=C1)C1=CC=CC=N1 HMDB0014930
ClC1=CC(Cl)=C(Cl)C=C1OCC#CI HMDB0014931
CCC1(C(=O)NCNC1=O)C1=CC=CC=C1 HMDB0014932
OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1 HMDB0014933
CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1 HMDB0014934
C(C1=NCCN1)C1=CC=CC=C1 HMDB0014935
CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1 HMDB0014936
CCOC(=O)C1=CN=C(C=C1)C#CC1=CC2=C(SCCC2(C)C)C=C1 HMDB0014937
OC1=CC=C(C=C1)C1CNCCC2=C(Cl)C(O)=C(O)C=C12 HMDB0014938
FC(F)(F)CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1 HMDB0014939
CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)C2=CC=CC=C2)C1=O HMDB0014940
[H][C@]1(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCNC1=O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCC(C)CC)[C@@H](C)O)[C@@H](C)O HMDB0014941
CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1 HMDB0014942
CC1=CC(=NN=C1NCCN1CCOCC1)C1=CC=CC=C1 HMDB0014943
CN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C HMDB0014944
CCCOC1=C(N)C=C(C=C1)C(=O)OCCN(CC)CC HMDB0014945
CC1CC2=CC=CC=C2N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O HMDB0014946
CCN(CC1=CC=NC=C1)C(=O)C(CO)C1=CC=CC=C1 HMDB0014947
OC(CCN1CCCCC1)(C1CC2CC1C=C2)C1=CC=CC=C1 HMDB0014948
NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O HMDB0014949
CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1 HMDB0014950
CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1 HMDB0014951
CN1C(C(=O)NC2=NC=C(C)S2)=C(O)C2=C(C=CC=C2)S1(=O)=O HMDB0014952
CC(C)NCC(O)C1=CC(O)=CC(O)=C1 HMDB0014954
CCN1C=C(C(O)=O)C(=O)C2=C1C=C(C=C2)C1=CC=NC=C1 HMDB0014955
CC(C)C1=CC=CC(C(C)C)=C1O HMDB0014956
CC(=O)NC1=NN=C(S1)S(N)(=O)=O HMDB0014957
[H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](N1C(=O)CN(C)C2=O)C1=CC2=C(OCO2)C=C1 HMDB0014958
CC(C(O)=O)C1=CC2=C(C=C1)C1=C(N2)C=CC(Cl)=C1 HMDB0014959
CCN(CC)C(=S)SSC(=S)N(CC)CC HMDB0014960
[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](OC(C)=O)C=C3CC[C@@]21[H] HMDB0014961
CCCN1C2=C(NC=N2)C(=O)NC1=O HMDB0014962
C[C@H]1OC(O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)C[C@H]3O[C@@H]3\C=C\C(=O)O[C@H](C)C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O HMDB0014964
CCN1N=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12 HMDB0014965
C[C@@H]1O[C@@H]1P(O)(O)=O HMDB0014966
CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1 HMDB0014967
CC1NCCOC1C1=CC=CC=C1 HMDB0014968
CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1 HMDB0014969
CN1C(=O)CC(C1=O)C1=CC=CC=C1 HMDB0014970
[H][C@]12SCC(Cl)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O HMDB0014971
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] HMDB0014972
NC(=O)CCCN\C(C1=CC=C(Cl)C=C1)=C1/C=C(F)C=CC1=O HMDB0014975
[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C HMDB0014976
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1 HMDB0014977
CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1 HMDB0014979
OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2 HMDB0014980
O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5 HMDB0014982
CC(C)N=C1C=C2N(C3=CC=C(Cl)C=C3)C3=C(C=CC=C3)N=C2C=C1NC1=CC=C(Cl)C=C1 HMDB0014983
[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO HMDB0014984
C1CN2C[C@@H](N=C2S1)C1=CC=CC=C1 HMDB0014986
CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1 HMDB0014987
OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1 HMDB0014988
CN(C)N=NC1=C(N=CN1)C(N)=O HMDB0014989
CN1N=NC2=C(N=CN2C1=O)C(N)=O HMDB0014991
[H][C@@]12CCCC[C@@]11CCN(C)[C@@H]2CC2=C1C=C(O)C=C2 HMDB0014992
OCC(O)COC1=CC=C(Cl)C=C1 HMDB0014994
CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=CC=CC=C12 HMDB0014995
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)[C@H](C)C[C@]12C HMDB0014996
CC(C)(S)C(N)C(O)=O HMDB0014997
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C HMDB0014998
OC(=O)C1=C(O)C=CC(=C1)C1=C(F)C=C(F)C=C1 HMDB0014999
CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(CC)CC1 HMDB0015000
[H]\C(=C(\C)[C@@]1([H])OC(=O)[C@]2([H])CCCCN2C(=O)C(=O)[C@]2(O)O[C@@]([H])([C@]([H])(C[C@@]2([H])C)OC)[C@]([H])(C[C@@]([H])(C)C\C(C)=C([H])\[C@@]([H])(CC=C)C(=O)C[C@]([H])(O)[C@@]1([H])C)OC)[C@]1([H])CC[C@@]([H])(O)[C@@]([H])(C1)OC HMDB0015002
C[C@@H](CC1=CC=CC=C1)N(C)CC1=CC=CC=C1 HMDB0015003
CC(C)NCC(O)COC1=CC=CC=C1CC=C HMDB0015004
C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1 HMDB0015005
CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC HMDB0015006
CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O HMDB0015007
CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=CS1 HMDB0015008
CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1 HMDB0015009
CC1=NC2=C(CCN(C(=O)C3=CC=C(NC(=O)C4=CC=CC=C4C4=CC=CC=C4)C=C3)C3=CC=CC=C23)N1 HMDB0015010
[H][C@@]12CC[C@](O)(C(=O)OCCl)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C HMDB0015011
[H]C(CCN1CCN(CCO)CC1)=C1C2C=C(C=CC2SC2=C1C=CC=C2)C(F)(F)F HMDB0015013
CCCCC1=NC=C(\C=C(/CC2=CC=CS2)C(O)=O)N1CC1=CC=C(C=C1)C(O)=O HMDB0015014
[H][C@@]1(C[C@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](O)[C@@H](C1)OC HMDB0015015
ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1 HMDB0015016
NC1=NC(=O)N(C=C1F)[C@@H]1CS[C@H](CO)O1 HMDB0015017
NS(=O)(=O)C1=C(Cl)C=C2NC=NS(=O)(=O)C2=C1 HMDB0015018
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(O)=O HMDB0015019
CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1 HMDB0015020
[H][C@]12OC[C@H](O[N+]([O-])=O)[C@@]1([H])OC[C@H]2O[N+]([O-])=O HMDB0015021
OC(CC1=CN=CC=C1)(P(O)(O)=O)P(O)(O)=O HMDB0015022
CC1=CC=CN2C(=O)C(=CN=C12)C1=NNN=N1 HMDB0015023
CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O HMDB0015024
CN(CCCl)CCCl HMDB0015025
CN1N=C(C(=O)NC2CC3CCCC(C2)N3C)C2=CC=CC=C12 HMDB0015026
CC=C(C(=CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 HMDB0015027
NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1 HMDB0015028
CCCCOC1=C(N)C=CC(=C1)C(=O)OCCN(CC)CC HMDB0015029
[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H] HMDB0015031
 HMDB0015032
CCC(=O)[C@@]1(C)[C@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@]12C HMDB0015033
CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N12 HMDB0015034
CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC(=O)OC)CC1)C(=O)OC HMDB0015036
OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1NC=NC2=O HMDB0015037
CN1CCC(CN2C3=CC=CC=C3SC3=CC=CC=C23)C1 HMDB0015038
CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1 HMDB0015039
CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCC1=CC=CC=C1 HMDB0015041
CC1=C(SC=C1)C(=CCCN1CCC[C@H](C1)C(O)=O)C1=C(C)C=CS1 HMDB0015042
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C HMDB0015043
[H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1 HMDB0015044
NS(=O)(=O)CC1=NOC2=CC=CC=C12 HMDB0015045
[H]C1CC[C@]2(C)[C@]([H])(CC[C@@]2([H])\C1=C\C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)\C=C\[C@H](C)C(O)(C)C HMDB0015046
CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O HMDB0015047
CCOC1=C(C=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=C1)C(O)=O HMDB0015048
CCOC(=O)C1(CCN(CCC2=CC=C(N)C=C2)CC1)C1=CC=CC=C1 HMDB0015049
NC(=N)NC(=N)NCCC1=CC=CC=C1 HMDB0015050
NC12CC3CC(CC(C3)C1)C2 HMDB0015051
CC1=NC=C(N1CCO)[N+]([O-])=O HMDB0015052
CN(C)CCC1=CNC2=C1C=C(CS(=O)(=O)N1CCCC1)C=C2 HMDB0015054
[H][C@@]12O[C@H](C)CC(=O)[C@]1(O)O[C@]1([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]1([H])O2 HMDB0015055
CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12 HMDB0015056
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4 HMDB0015057
C[C@@H]1CC(=O)NN=C1C1=CC=C(NN=C(C#N)C#N)C=C1 HMDB0015058
[H][C@]12SCC(CSC3=NN=NN3CC(O)=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1CN)C(O)=O HMDB0015059
CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12 HMDB0015060
CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1 HMDB0015061
NC1=NC(=O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O HMDB0015063
CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC HMDB0015064
CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)C4=C(C(O)=CC=C4)C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)C1=O HMDB0015066
CCC[C@@]1(CCC2=CC=CC=C2)CC(=O)C([C@H](CC)C2=CC(NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)=CC=C2)=C(O)O1 HMDB0015067
CN1CCCCC1CCN1C2=CC=CC=C2SC2=C1C=C(C=C2)S(C)=O HMDB0015068
CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21 HMDB0015069
CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C HMDB0015070
CCN(CC)C(C)C(=O)C1=CC=CC=C1 HMDB0015072
OCC1=C(O)C=CC(=C1)C(O)CNCCCCCCOCCCCC1=CC=CC=C1 HMDB0015073
CC1=C(Cl)C(NC2=CC=CC=C2C(O)=O)=C(Cl)C=C1 HMDB0015074
CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12 HMDB0015075
CC.C[N+](C)(CCCCCC[N+](C)(C)C1C2=C(C=CC=C2)C2=C1C=CC=C2)C1C2=C(C=CC=C2)C2=C1C=CC=C2 HMDB0015076
OC(CCN1CCCCC1)(C1CCCC1)C1=CC=CC=C1 HMDB0015077
NC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](CO)O1 HMDB0015078
CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C HMDB0015079
CCC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2 HMDB0015081
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])C2[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC2=CC(O)=CC=C12 HMDB0015082
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)C1=CC=CC=C1)C(O)=O HMDB0015083
NC(=O)OCC(COC(N)=O)C1=CC=CC=C1 HMDB0015084
NNC(=O)C1=CC=NC=C1 HMDB0015086
CNS(=O)(=O)CCC1=CC2=C(NC=C2C2CCN(C)CC2)C=C1 HMDB0015087
CN(C)CCC1=CNC2=C1C=C(CN1C=NC=N1)C=C2 HMDB0015088
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@@H]([C@@H]2C)[C@]1(C)O HMDB0015089
CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@H](O)[C@@H](NC)[C@@]1(C)O HMDB0015090
[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O HMDB0015091
[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O HMDB0015092
N.N.O=C1O[Pt]OC(=O)C11CCC1 HMDB0015093
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C HMDB0015094
CC(C)NCC(O)COC1=CC=CC2=C1C=CN2 HMDB0015095
CN1CCCCC1C(=O)NC1=C(C)C=CC=C1C HMDB0015096
CCN(C(C)=O)C1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C#N HMDB0015097
NC1=C(CC(O)=O)C=CC=C1C(=O)C1=CC=C(Br)C=C1 HMDB0015098
NC1=CC(Cl)=C(NC2=NCCN2)C(Cl)=C1 HMDB0015099
CCCC1=NC2=C(C=C(C=C2C)C2=NC3=CC=CC=C3N2C)N1CC1=CC=C(C=C1)C1=CC=CC=C1C(O)=O HMDB0015101
ClC1=CC2=C(C=C1)C(=C1CCNCC1)C1=C(CC2)C=CC=N1 HMDB0015102
CN1C2=C(C3=CC=CC=C13)C(=O)N(CC1=C(C)NC=N1)CC2 HMDB0015104
[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C HMDB0015105
S=[Se] HMDB0015106
CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O HMDB0015107
O[C@@H](CC[C@@H]1[C@H](N(C1=O)C1=CC=C(F)C=C1)C1=CC=C(O)C=C1)C1=CC=C(F)C=C1 HMDB0015108
OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O HMDB0015109
OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1 HMDB0015110
CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCN3C=NC(=C3)C3=CC=CN=C3)C(=O)O[C@@]12C)OC HMDB0015111
CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N3CCNC(C)C3)C(F)=C12 HMDB0015113
CN(C)CCOC(=O)C(C1=CC=CC=C1)C1(O)CCCC1 HMDB0015114
CCC(=O)NCC[C@@H]1CCC2=C1C1=C(OCC1)C=C2 HMDB0015115
[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC)=C1)N2C HMDB0015116
COC1=CC=C(CC(C)NCC(O)C2=CC(NC=O)=C(O)C=C2)C=C1 HMDB0015118
[H][C@@]12CC[C@H](OC(=O)CCC3=CC=CC=C3)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] HMDB0015119
CN1C2=C([N-]C(Cl)=N2)C(=O)N(C)C1=O.C[NH+](C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0015120
C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1 HMDB0015121
NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O HMDB0015122
CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C HMDB0015124
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)C=C[C@]12C HMDB0015125
OC(=O)CCC1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1 HMDB0015126
COC(=O)CCC(=O)CN HMDB0015127
CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O HMDB0015128
NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O HMDB0015129
CC[P+](CC)(CC)[Au-]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O HMDB0015130
COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O HMDB0015132
CN[C@@H]1CCC2=C(C1)C1=C(N2)C=CC(=C1)C(N)=O HMDB0015133
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1(N)CCCCC1)C(O)=O HMDB0015135
CCCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C HMDB0015137
OC(COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O)COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O HMDB0015138
NC1=NC2=C(N=CN2COC(CO)CO)C(=O)N1 HMDB0015139
NC(=O)NO HMDB0015140
N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N HMDB0015141
ClC1=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=CS1 HMDB0015142
CS(=O)(=O)OCCCCOS(C)(=O)=O HMDB0015143
CC(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1 HMDB0015144
CC[N+](C)(C)C1=CC(O)=CC=C1 HMDB0015145
CC(C)(C(=O)C1=CN=CC=C1)C1=CN=CC=C1 HMDB0015146
C[C@@H](NCCCC1=CC(=CC=C1)C(F)(F)F)C1=CC=CC2=CC=CC=C12 HMDB0015147
[H][C@@]12C[C@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C HMDB0015148
OC(=O)CCNC(=O)C1=CC=C(C=C1)\N=N\C1=CC=C(O)C(=C1)C(O)=O HMDB0015149
CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1 HMDB0015150
COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1 HMDB0015151
[H][C@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2 HMDB0015152
NC(=N)NC(=O)CC1=C(Cl)C=CC=C1Cl HMDB0015153
CC(C[N+](C)(C)C)OC(N)=O HMDB0015154
[H][C@]12OC[C@@H](O[N+]([O-])=O)[C@@]1([H])OC[C@@H]2O HMDB0015155
NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl HMDB0015156
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O HMDB0015157
CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC HMDB0015158
COC1=C(C\C=C(/C)CCC(O)=O)C(O)=C2C(=O)OCC2=C1C HMDB0015159
CC(C)C1=CC2=C(OC3=NC(N)=C(C=C3C2=O)C(O)=O)C=C1 HMDB0015160
COC(F)(F)C(Cl)Cl HMDB0015162
CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1 HMDB0015163
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(O)=C4CN(C)C)N=C13)C2=O HMDB0015164
NC(=O)OC1(CCCCC1)C#C HMDB0015165
CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O HMDB0015166
S=C1N=CNC2=C1NC=N2 HMDB0015167
CC=CCC=CCCC(=O)[C@H]1O[C@H]1C(N)=O HMDB0015168
CCN(CC)CCNC(=O)C1=CC=C(N)C=C1 HMDB0015169
CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C HMDB0015170
CC(CC1=CC=CC=C1)N(C)CC#C HMDB0015171
CCC(=O)C1=CC2=C(SC3=C(C=CC=C3)N2CCN2CCN(CCO)CC2)C=C1 HMDB0015172
CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 HMDB0015173
OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(N)=C1C=CC(=C\C=C2\C=CC(=CC2=O)C(N)=N)C=C1 HMDB0015174
O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12 HMDB0015175
N[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)C(O)=O HMDB0015176
CC12CC3CC(C)(C1)CC(N)(C3)C2 HMDB0015177
COC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N1CCNC(C)C1)C1CC1 HMDB0015178
[H]C(=NN1CCN(C)CC1)C1=C(O)C2=C3C(O)=C(C)C4=C2C(=O)[C@](C)(O4)O\C([H])=C([H])/[C@]([H])(OC)[C@@]([H])(C)[C@@]([H])(OC(C)=O)[C@]([H])(C)[C@]([H])(O)[C@]([H])(C)[C@@]([H])(O)[C@@]([H])(C)C([H])=C([H])\C([H])=C(C)/C(O)=NC1=C3O HMDB0015179
[H][C@@]12CC(=O)[C@@H](CCCCCCC(O)=O)[C@@]1([H])CC[C@@](O)(O2)C(F)(F)CCCC HMDB0015180
[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(C)=O HMDB0015181
NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N1 HMDB0015182
CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C HMDB0015183
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](OC2=C(C)C3=C(C=C2)C(O)=C(NC(=O)C2=CC=C(O)C(CC=C(C)C)=C2)C(=O)O3)OC1(C)C HMDB0015185
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O HMDB0015186
CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC HMDB0015187
N[C@@H](CN1C=CC(=O)C(O)=C1)C(O)=O HMDB0015188
CC(N)C(=O)NC1=C(C)C=CC=C1C HMDB0015189
CCOP(=O)(OCC)SCC[N+](C)(C)C HMDB0015190
O=C(C1CCCCC1)N1CC2N(CCC3=CC=CC=C23)C(=O)C1 HMDB0015191
CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCNCC1 HMDB0015192
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O HMDB0015193
[H][C@](NC(=O)N1CCNC1=O)(C(=O)N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])C1=CC=CC=C1 HMDB0015194
CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1 HMDB0015195
CC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1 HMDB0015196
CC(C)NCC(O)C1=CC(O)=C(O)C=C1 HMDB0015197
[H][C@]12SCC(\C=C/C3=C(C)N=CS3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O HMDB0015199
CC1=CN=C(C=N1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1 HMDB0015200
[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1 HMDB0015201
CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C HMDB0015202
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CC[C@@H]1C HMDB0015203
C(C1CN2CCC1CC2)N1C2=CC=CC=C2SC2=CC=CC=C12 HMDB0015204
COC(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC1=CC=C(C=C1)C1=CC=CC=N1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C HMDB0015205
NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]3O)C2=NC(F)=N1 HMDB0015206
C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1 HMDB0015207
CC(O)(P(O)(O)=O)P(O)(O)=O HMDB0015210
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1 HMDB0015211
NC(CCC(O)=O)C=C HMDB0015212
CCOC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1 HMDB0015213
CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)C=O HMDB0015214
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O HMDB0015215
CCOCCN1C(=NC2=CC=CC=C12)N1CCCN(C)CC1 HMDB0015216
CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O HMDB0015217
COC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1 HMDB0015219
CC#CCC(C)C(O)\C=C\C1C(O)CC2C\C(CC12)=C\CCCC(=O)OCC(=O)C1=CC=CC=C1 HMDB0015220
[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2 HMDB0015221
C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1 HMDB0015222
CN(CC1=CC=C(C=C1)C(C)(C)C)CC1=CC=CC2=CC=CC=C12 HMDB0015223
[H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O HMDB0015224
CC(C)N1C(\C=C\[C@H](O)C[C@H](O)CC(O)=O)=C(C2=CC=C(F)C=C2)C2=CC=CC=C12 HMDB0015227
CC(C)NCC1CCC2=CC(CO)=C(C=C2N1)[N+]([O-])=O HMDB0015228
CC1=C(C=NO1)C(=O)NC1=CC=C(C=C1)C(F)(F)F HMDB0015229
CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(C)(=O)=O HMDB0015230
NC1=C(F)C=NC(=O)N1 HMDB0015231
FC1=CC=C(C=C1)C(CCCN1CCC(CC1)N1C(=O)NC2=CC=CC=C12)C1=CC=C(F)C=C1 HMDB0015232
CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O HMDB0015233
O[C@@H](CNCCCCC1=CC=C(O)C=C1)C1=CC(O)=C(O)C=C1 HMDB0015234
CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2 HMDB0015235
CC(C)CC(N(C)C)C1(CCC1)C1=CC=C(Cl)C=C1 HMDB0015237
C[C@@H]1CN(CC[C@]1(C(O)=O)C1=CC=CC=C1)C1CCC(CC1)(C#N)C1=CC=C(F)C=C1 HMDB0015238
CCC1(CC)C(=O)NCC(C)C1=O HMDB0015239
[H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C#N)=C2O HMDB0015240
ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 HMDB0015242
CCC(C)CCCCC(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC(C(C)O)C(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC1CCNC(=O)C(NC(=O)C(CCNCS([O-])(=O)=O)NC(=O)C(CCNCS([O-])(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCNCS([O-])(=O)=O)NC1=O)C(C)O HMDB0015243
[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CC=CO1)C(O)=O HMDB0015244
COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1 HMDB0015245
COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC HMDB0015247
O=C1N(CC2=CC=CC=C2)C2C[S+]3CCCC3C2N1CC1=CC=CC=C1 HMDB0015248
OC1=C([C@H]2CC[C@@H](CC2)C2=CC=C(Cl)C=C2)C(=O)C2=CC=CC=C2C1=O HMDB0015249
CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=CC=CC=C2O1 HMDB0015250
CC1=NS(=O)(=O)C2=C(N1)C=CC(Cl)=C2 HMDB0015251
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1 HMDB0015252
NC(=O)NC(=O)CC1=CC=CC=C1 HMDB0015253
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC1=CC=CC=C1Cl HMDB0015254
NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1 HMDB0015255
CCCCNC(=O)NS(=O)(=O)C1=CC=C(C)C=C1 HMDB0015256
COC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O HMDB0015257
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])NC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F HMDB0015258
ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 HMDB0015259
CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F HMDB0015260
CCOC(=O)OC1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)C(=O)COC(=O)CC HMDB0015262
CC(C)\N=C(/N)N=C(N)NC1=CC=C(Cl)C=C1 HMDB0015263
CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1 HMDB0015264
OP(O)(=O)C(SC1=CC=C(Cl)C=C1)P(O)(O)=O HMDB0015265
COC1=CC(CC2C3=C(CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCC4=C(C2CC2=CC(OC)=C(OC)C(OC)=C2)C(OC)=C(OC)C(OC)=C4)C=C(OC)C(OC)=C3OC)=CC(OC)=C1OC HMDB0015266
COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2 HMDB0015267
O=C1C(CCS(=O)C2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1 HMDB0015269
[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSC1=CC=NC=C1)C(O)=O HMDB0015270
[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O HMDB0015271
CCCCCOC1=CC=C(C=C1)C1=CC(=NO1)C1=CC=C(C=C1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC(OS(O)(=O)=O)=C(O)C=C1)[C@H](O)CC(N)=O HMDB0015272
[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12 HMDB0015273
NCCCNCCSP(O)(O)=O HMDB0015274
NS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O HMDB0015275
OS(=O)CNC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NCS(O)=O)C=C1 HMDB0015276
CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0015277
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1Cl)C(O)=O HMDB0015278
CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1=CC=CC=C1 HMDB0015279
CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1 HMDB0015280
[H][C@]12SCC(C=CC)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O HMDB0015281
CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12 HMDB0015282
CC(CC(C)C1OC(=O)CC(=O)CCCC(=O)CC(O)CC(O)CC(O)CC2(O)CC(O)C(C(CC(OC3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C/C=C\C=C/C=C\C=C/C=C\C=C/C1C)O2)C(O)=O)C(O)CC(=O)C1=CC=C(N)C=C1 HMDB0015283
ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=CSC2=C1C=CC=C2Cl HMDB0015284
CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O HMDB0015285
CO\N=C1/CN(CC1CN)C1=NC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O HMDB0015286
COC1=CC(NCC2=C(C)C3=C(C=C2)N=C(N)N=C3N)=CC(OC)=C1OC HMDB0015288
CC[N+](C)(C)CC1=CC=CC=C1Br HMDB0015289
FC(F)(F)C(Cl)Br HMDB0015290
OCC(N)(CO)CO.CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O HMDB0015291
CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1 HMDB0015292
COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1CCCO1 HMDB0015293
[H]C(=N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])N1CCCCCC1 HMDB0015294
CC1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1 HMDB0015296
O=C1CCC2=C(N1)C=CC(OCCCCC1=NN=NN1C1CCCCC1)=C2 HMDB0015297
CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1 HMDB0015298
CNNCC1=CC=C(C=C1)C(=O)NC(C)C HMDB0015299
O1[As]2O[As]1O2 HMDB0015300
NC(N)=NCCN1CCCCCCC1 HMDB0015301
ClC1=CC=C(C=C1)C(=O)NCCN1CCOCC1 HMDB0015302
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O HMDB0015303
CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C HMDB0015304
CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1 HMDB0015305
CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0015307
C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O HMDB0015308
CN1C(C2=CC=C(Cl)C=C2)S(=O)(=O)CCC1=O HMDB0015309
[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(OC)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@@H]2O HMDB0015310
[H][C@]12C[C@@H](OC(=O)C=CC3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2 HMDB0015311
ClCCNP1(=O)OCCCN1CCCl HMDB0015312
CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1 HMDB0015313
[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC=C)[C@]([H])(C4)[C@]1(O)CCC2=O HMDB0015314
ClC1=CC2=C(C=C1)N(C1CCN(CCCN3C(=O)NC4=CC=CC=C34)CC1)C(=O)N2 HMDB0015315
[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C HMDB0015316
[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC HMDB0015317
CCOC(=O)CCCCCCCCC(C)C1=CC=CC=C1I HMDB0015318
CC1=CC(=O)N(O)C(=C1)C1CCCCC1 HMDB0015319
FC(F)OC(F)C(F)(F)F HMDB0015320
CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O HMDB0015321
CCN[C@@H](C)CC1=CC=CC(=C1)C(F)(F)F HMDB0015322
[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CCC2=O HMDB0015323
CCCC(=O)NC1=CC(C(C)=O)=C(OCC(O)CNC(C)C)C=C1 HMDB0015324
CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O HMDB0015325
FC(F)(F)COC1=CC(C(=O)NCC2CCCCN2)=C(OCC(F)(F)F)C=C1 HMDB0015326
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H] HMDB0015327
C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O HMDB0015328
CN1CCN(CC1)C(=O)OC1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1 HMDB0015329
[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CCN1C)C2=C6)=C(O)C=C5)=CC(OC)=C4O)C=C3 HMDB0015330
[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C HMDB0015331
[H]\C(=N/N1CCN(CC1)C1CCCC1)C1=C(O)C2=C3C(O)=C(C)C4=C2C(=O)[C@](C)(O4)O\C([H])=C([H])/[C@]([H])(OC)[C@@]([H])(C)[C@@]([H])(OC(C)=O)[C@]([H])(C)[C@]([H])(O)[C@]([H])(C)[C@@]([H])(O)[C@@]([H])(C)C([H])=C([H])\C([H])=C(C)/C(O)=NC1=C3O HMDB0015332
CC[C@@H](N1CCCC1=O)C(N)=O HMDB0015333
CC(C)(C)NCC(O)COC1=CC=CC2=C1C[C@H](O)[C@H](O)C2 HMDB0015334
OCCNCCNC1=C2C(=O)C3=C(O)C=CC(O)=C3C(=O)C2=C(NCCNCCO)C=C1 HMDB0015335
CCOC(=O)C1=C2CN(C)C(=O)C3=C(C=CC(F)=C3)N2C=N1 HMDB0015336
ClCCN(N=O)C(=O)NC1CCCCC1 HMDB0015337
OC(=O)CCCCO\N=C(\C1=CN=CC=C1)C1=CC(=CC=C1)C(F)(F)F HMDB0015338
C[C@H]1CN(C[C@@H](C)N1)C1=C(F)C(N)=C2C(=O)C(=CN(C3CC3)C2=C1F)C(O)=O HMDB0015339
[H][C@@]12CC3=CC=C(O)C=C3[C@@](C)(CCCCC1)[C@H]2N HMDB0015340
CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CCCC2=O HMDB0015341
[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC HMDB0015342
[H][C@]12SCC(CSC3=NC(=O)C(=O)NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O HMDB0015343
CC1=CNN=C1 HMDB0015344
CC(C)NCC(O)COC1=C(C)C(C)=C(OC(C)=O)C(C)=C1 HMDB0015345
ClC1=CC2=C(C=C1)N1C=NN=C1CN=C2C1=CC=CC=C1 HMDB0015346
CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N HMDB0015348
CCCCN(CCCC)CCC(O)C1=C2C=CC(=CC2=C2C=C(Cl)C=C(Cl)C2=C1)C(F)(F)F HMDB0015349
[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)C=NN1CC(=O)NC1=O HMDB0015350
[H]\C1=C([H])\[C@]([H])(OC)[C@@]([H])(C)[C@@]([H])(OC(C)=O)[C@]([H])(C)[C@]([H])(O)[C@]([H])(C)[C@@]([H])(O)[C@@]([H])(C)\C([H])=C(\[H])/C(/[H])=C(C)\C(O)=NC2=C(O)C3=C(C4=C2N2C=CC(C)=CC2=N4)C2=C(O[C@](C)(O1)C2=O)C(C)=C3O HMDB0015351
CNC1(CCCCC1=O)C1=CC=CC=C1Cl HMDB0015352
[H][C@@]12C[C@H]3OC(CCC)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C HMDB0015353
NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.CN1C2=C(NC=N2)C(=O)N(C)C1=O HMDB0015354
CC(=O)NC1C(O)OC(COS(O)(=O)=O)C(OC2OC(C(OC3OC(CO)C(OC4OC(C(O)C(O)C4OS(O)(=O)=O)C(O)=O)C(OS(O)(=O)=O)C3NS(O)(=O)=O)C(O)C2OS(O)(=O)=O)C(O)=O)C1O HMDB0015356
COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC HMDB0015357
CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0015358
COC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1CCC1CCCCN1C HMDB0015359
[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C HMDB0015360
OC(CCCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0015361
CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC2=CC=CC=C2C=C1 HMDB0015362
CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC HMDB0015363
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C HMDB0015364
FCOC(C(F)(F)F)C(F)(F)F HMDB0015366
CN(C)CCOC(C1=CC=CC=C1)C1=CC=C(Br)C=C1 HMDB0015367
[H]C(CCN(C)C)=C1C2=CC(Cl)=CC=C2SC2=C1C=CC=C2 HMDB0015369
CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1 HMDB0015371
CN(C)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2 HMDB0015372
OC1=C(Cl)C=C(Cl)C2=C1N=CC=C2 HMDB0015373
CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1 HMDB0015374
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C HMDB0015375
CC(CN(C)C)CN1C2=CC=CC=C2SC2=CC=CC=C12 HMDB0015376
CC1=CC(=NO1)C(=O)NNCC1=CC=CC=C1 HMDB0015377
[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1 HMDB0015378
CC(=O)N(CC(O)CN(C(C)=O)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I HMDB0015379
OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(O)C(=C1)C(O)=O HMDB0015380
COC1=CC2=C(C=C1)C(C)(C)C(=O)N(CCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1)C2=O HMDB0015381
OC(=O)C(CC(=O)N1CC2CCCCC2C1)CC1=CC=CC=C1 HMDB0015382
[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N[C@@H](C)CO HMDB0015383
CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 HMDB0015384
C[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CCCCN HMDB0015385
C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CSC1C[C@@H]2CC[C@H](C1)N2C HMDB0015386
COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1 HMDB0015387
CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1 HMDB0015388
[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO HMDB0015389
N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC1=CC(F)=C(F)C=C1F HMDB0015390
NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1 HMDB0015391
CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OCC2CO[C@](CN3C=NC=N3)(C2)C2=C(F)C=C(F)C=C2)C=C1 HMDB0015392
[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1 HMDB0015393
CC1=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)NC1=O HMDB0015394
CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1 HMDB0015396
CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C HMDB0015397
[H][C@]12C[C@]([H])(CNC1)C1=CC3=NC=CN=C3C=C21 HMDB0015398
COC1=CC=C(C[C@@H](C)NC[C@H](O)C2=CC(NC=O)=C(O)C=C2)C=C1 HMDB0015399
NNC1=NN=CC2=CC=CC=C12 HMDB0015400
COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O HMDB0015401
[H][C@]1(NC(=O)[C@H](CC2=CC=C(OC)C=C2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC HMDB0015402
CC1=CC=C(NC2=C(Cl)C=CC=C2F)C(CC(O)=O)=C1 HMDB0015403
CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@@H]3CC4C5=C6C(C[C@@]4([H])N(C)C3)=CNC6=CC=C5)O[C@@]21O HMDB0015404
CC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O)=C1 HMDB0015405
CC1=CC(=NO1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1 HMDB0015406
CC(C)(C)NCC(O)C1=NC(CO)=C(O)C=C1 HMDB0015407
O[Bi]1OC(=O)C2=CC=CC=C2O1 HMDB0015408
COC1=C(OC)C=C(CCNCC(O)COC2=CC=CC(C)=C2)C=C1 HMDB0015409
CC(C)NCC(O)COC1=CC=C(NC(C)=O)C=C1 HMDB0015411
CCN1C=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC1=O HMDB0015412
COC1=NC=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1OC HMDB0015413
[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCCC1)=C(O)[C@H]2N(C)C HMDB0015414
C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O HMDB0015415
CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1 HMDB0015416
OP(O)(=O)OCN1C(=O)NC(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0015417
CO[C@H]1[C@H](OC(=O)C)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)CC(C)C)[C@](C)(O)C2)[C@H](N(C)C)[C@H]1O HMDB0015418
CN1C(CSCC(F)(F)F)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O HMDB0015419
CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O HMDB0015420
[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O HMDB0015421
[H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)CN1C=NN=N1)C(O)=O HMDB0015422
[H][C@]12SCC(CSC3=NN=NN3CS(O)(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O HMDB0015423
[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=C(O)C=C1)C(O)=O HMDB0015424
[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC)C(O)=O HMDB0015425
[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@]2(NC(=O)CC1=CC=CS1)OC)C(O)=O HMDB0015426
[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O HMDB0015427
[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O HMDB0015428
[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3 HMDB0015429
[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1 HMDB0015430
[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1 HMDB0015431
[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1 HMDB0015432
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O HMDB0015433
CCCCC1=NN(CC2=CN=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(CCCC)=N1 HMDB0015434
 HMDB0015435
CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C HMDB0015436
CCC1=NC(C2CC2)=C(N1CC1=CC2=C(OC(=C2Br)C2=CC=CC=C2NS(=O)(=O)C(F)(F)F)C=C1)C(N)=O HMDB0015437
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 HMDB0015438
CC1=NC(C)=C2CCC(=O)N(CC3=CC=C(C=C3)C3=CC=CC=C3C3=NNN=N3)C2=N1 HMDB0015439
CCC1(CCC(C)C)C(=O)NC(=O)NC1=O HMDB0015440
CC(C)C1(CC=C)C(=O)NC(=O)NC1=O HMDB0015441
CCCCC1(CC)C(=O)NC(=O)NC1=O HMDB0015442
CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1 HMDB0015443
CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1 HMDB0015444
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3 HMDB0015446
CC(C)(C)NC[C@H](O)COC1=CC=CC=C1C1CCCC1 HMDB0015447
CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O HMDB0015448
CC(=O)N(CC(O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I HMDB0015449
CN[C@@H](C)[C@H](O)C1=CC=CC=C1 HMDB0015451
CNC(C)(C)CC1=CC=CC=C1 HMDB0015452
CC[C@H](NC(C)C)[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1 HMDB0015453
C#CCN[C@@H]1CCC2=CC=CC=C12 HMDB0015454
CC[C@H]1NC(=O)[C@@H](NC(=O)C2=NC=CC=C2O)[C@@H](C)OC(=O)[C@@H](NC(=O)C2CC(=O)C(CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](CC2=CC=C(C=C2)N(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O)C1=CC=CC=C1 HMDB0015455
[Al] HMDB0015456
O.O.NCC(=O)O[Al] HMDB0015457
O.[Mg] HMDB0015458
[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C HMDB0015459
COCCOC1=CN=C(NS(=O)(=O)C2=CC=CC=C2)N=C1 HMDB0015461
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@]([H])(F)C2=CC(=O)C=C[C@]12C HMDB0015462
[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2 HMDB0015464
CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O HMDB0015465
COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1C(CC2)NC(C)=O HMDB0015466
[H][C@@]12C[C@]1([H])[C@@]1([H])[C@]3([H])[C@]4([H])C[C@]4([H])[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@]1([H])[C@@]1(C)CCC(=O)C=C21 HMDB0015467
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 HMDB0015468
[Mg++].OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O HMDB0015469
[Na+].OC1=CC=CC=C1C([O-])=O HMDB0015470
OC(=O)C1=CC=CC=C1OC(=O)C1=CC=CC=C1O HMDB0015471
CN(C)C(=O)OC1=CC(=CC=C1)[N+](C)(C)C HMDB0015472
[Mg++].C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O HMDB0015473
COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1 HMDB0015474
CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(Cl)=C1 HMDB0015477
CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C HMDB0015478
C[N+]1(C)[C@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1 HMDB0015479
[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(O2)C1CCCCC1)C(=O)COC(=O)C(C)C HMDB0015480
O=C(NC1=CC2=C(C=C1)C(=O)C=C(O2)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1 HMDB0015481
CO\N=C(/C(=O)N[C@@H]1C(=O)N2[C@]1([H])SCC(C[N+]1(C)CCCC1)=C2C([O-])=O)C1=CSC(N)=N1 HMDB0015483
[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CC#N)C(O)=O HMDB0015484
[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=C/CC(O)=O)\C1=CSC(N)=N1)C(O)=O HMDB0015485
[H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O HMDB0015486
CC(=O)CC(C1=CC=C(C=C1)[N+]([O-])=O)C1=C(O)C2=CC=CC=C2OC1=O HMDB0015487
FC(F)(F)C1=CC(=CC=C1)N1CCN(CCOC(=O)C2=CC=CC=C2NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)CC1 HMDB0015488
[H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C HMDB0015489
NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O HMDB0015490
OC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O HMDB0015491
CC(SC(=O)C1=CC=CS1)C(=O)NCC(O)=O HMDB0015492
CN(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1 HMDB0015493
COC1=CC2=NNN=C2C=C1C(=O)NCC1CCCN1CC=C HMDB0015494
CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)C5=CC=CC=C5[C@]44C[C@@H](C2[C@H]4O)N3[C@@H]1O HMDB0015495
NC1=CC(=CNC1=O)C1=CC=NC=C1 HMDB0015496
COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1 HMDB0015497
CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C1=CC=CC=C1 HMDB0015498
FC1=CC=C(C=C1)C(N1CCN(CC1)C1=NC(NCC=C)=NC(NCC=C)=N1)C1=CC=C(F)C=C1 HMDB0015499
[H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H] HMDB0015500
CCC(OC(C)=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0015502
CN1N(C(=O)C=C1C)C1=CC=CC=C1 HMDB0015503
CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C HMDB0015504
CCC1(CCC(=O)NC1=O)C1=CC=CC=C1 HMDB0015505
NC1=NC(N)=C(C=C1)\N=N\C1=CC=CC=C1 HMDB0015506
OCCCC([O-])=O HMDB0015507
CCNC1C2CCC(C2)C1C1=CC=CC=C1 HMDB0015508
[H][C@@]12OC3=C(OCC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O HMDB0015509
CN1C2=C(C=C(C=C2)[N+]([O-])=O)C(=NCC1=O)C1=CC=CC=C1F HMDB0015510
BrC1=CC2=C(NC(=O)CN=C2C2=CC=CC=N2)C=C1 HMDB0015511
CCC1=CC2=C(S1)N(C)C(=O)CN=C2C1=CC=CC=C1Cl HMDB0015512
CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F HMDB0015513
C[C@H](N)CC1=CC=CC=C1 HMDB0015516
CN[C@@H](C)CC1=CC=CC=C1 HMDB0015517
CN(C(C)=O)C1=C(I)C(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)=C(I)C(NC(C)=O)=C1I HMDB0015518
CC1C(OCCN1C)C1=CC=CC=C1 HMDB0015519
CC(C)NCC(O)COC1=CC=CC=C1OCC=C HMDB0015520
CC1=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC=C1 HMDB0015521
CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1 HMDB0015522
[Na+].[Na+].N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C([O-])=O.N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C([O-])=O HMDB0015523
CN1C2=C(C=C(Cl)C=C2)C2(OC(C)=CC(=O)N2CC1=O)C1=CC=CC=C1 HMDB0015526
ClC1=CC2=C(C=C1)N(CC1CC1)C(=O)CN=C2C1=CC=CC=C1 HMDB0015527
FC1=CC=CC=C1C1=NCC(=S)N(CC(F)(F)F)C2=C1C=C(Cl)C=C2 HMDB0015528
CO[C@@H]1C[C@H](C[C@H](C)C2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@@H](C)C[C@@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@H]3CC[C@H](C)[C@](O)(O3)C(=O)C(=O)N3CCCC[C@@H]3C(=O)O2)OC)CC[C@H]1OCCO HMDB0015529
OC(=O)CCC(O)=O.O=C(O[C@H]1CN2CCC1CC2)N1CCC2=CC=CC=C2[C@@H]1C1=CC=CC=C1 HMDB0015530
[Fe] HMDB0015531
[Zn] HMDB0015532
OC1N=C(C2=CC=CC=C2F)C2=C(C=CC(Cl)=C2)N(CCC#N)C1=O HMDB0015533
[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2)C=C1 HMDB0015534
N[C@@H](CSCCCC\C=C(/NC(=O)[C@H]1CC1(C)C)C(=O)O)C(=O)O HMDB0015535
[H][C@]12CC(SCC\N=C\N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O HMDB0015536
CC(C)(SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C HMDB0015537
CC(C(O)=O)C1=CC=C(S1)C(=O)C1=CC=CC=C1 HMDB0015538
CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)CC1=CC=CC=C1 HMDB0015539
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OC(C)OC(=O)OCC HMDB0015540
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(OC)C=CC=C1OC)C(O)=O HMDB0015541
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OCOC(=O)C(C)(C)C HMDB0015542
[H]C(=N[C@@H]1C(=O)N2[C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S[C@]12[H])N1CCCCCC1 HMDB0015543
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CN1C=CN=N1)S2(=O)=O HMDB0015544
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](C(O)=O)C1=CSC=C1)C(O)=O HMDB0015545
OC1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C#N)CC1 HMDB0015546
OC(=O)C1=CC=C(C=C1)N1N=C(N=C1C1=CC=CC=C1O)C1=CC=CC=C1O HMDB0015547
CC(C)[C@H](N)C(=O)OCC(CO)OCN1C=NC2=C1NC(N)=NC2=O HMDB0015548
CCN(CCO)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1 HMDB0015549
CCCCCON=O HMDB0015550
[O-][N+](=O)OC[C@@H](O[N+]([O-])=O)[C@H](CO[N+]([O-])=O)O[N+]([O-])=O HMDB0015551
CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O HMDB0015552
CC(CN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O)N(C)C HMDB0015553
CCN(CCCC1=CC=CC=C1)CCCC1=CC=CC=C1 HMDB0015554
CCC1=C(C)NC2=C1C(=O)C(CN1CCOCC1)CC2 HMDB0015555
CN1CCC2=C(C1)C(C1=CC=CC=C21)C1=CC=CC=C1 HMDB0015556
CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=N1 HMDB0015557
CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCC(CCO)CC2)C=C1 HMDB0015558
CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1 HMDB0015559
CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3\C2=C\CCN2CCN(C)CC2)C=C1 HMDB0015560
OCCN1CCN(CC\C=C2\C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1 HMDB0015561
CC(C)[N+](C)(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C HMDB0015562
CN(CC#C)CC1=CC=CC=C1 HMDB0015563
[H][C@@]1(O[C@]([H])([C@H](NC(=O)C2C[C@@H](CCC)CN2C)[C@@H](C)O)[C@H](O)[C@H](O)[C@H]1O)SC HMDB0015564
CC1=NC=C(C=C1)C1=C(C=C(Cl)C=N1)C1=CC=C(C=C1)S(C)(=O)=O HMDB0015565
CCN(CC)CCS(=O)(=O)[C@]1([H])CCN2C(=O)C3=COC(=N3)CC(=O)C[C@H](O)\C=C(\C)/C=C\CNC(=O)\C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)C12 HMDB0015566
O[C@H](\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C1CC1 HMDB0015567
ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1 HMDB0015568
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O HMDB0015569
O[C@@H]1CC[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@@]2([H])[C@H](O)C[C@@]2([H])\C([C@@H](OC(=O)C)C[C@]32C)=C(/CCC=C(C)C)C(O)=O)[C@@H]1C HMDB0015570
N[C@@H](CC1=CNC2=C1C=C(O)C=C2)C(O)=O HMDB0015571
OC(=O)C1=C(NC2=CC=CC(=C2)C(F)(F)F)N=CC=C1 HMDB0015573
[H][C@]12OCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C(C(O)=O)C1=CC=C(O)C=C1)OC)C(O)=O HMDB0015574
CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1 HMDB0015575
S=P(N1CC1)(N1CC1)N1CC1 HMDB0015576
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC1CCCC1)C=C3 HMDB0015579
OC(=O)C1=C(I)C(NC(=O)CCCCC(=O)NC2=C(I)C=C(I)C(C(O)=O)=C2I)=C(I)C=C1I HMDB0015581
CC1=C(NC(=O)C2=CC(NC(=O)NC3=CC=CC(=C3)C(=O)NC3=C(C)C=CC(=C3)C(=O)NC3=C4C(C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)=C(C=C3)S(O)(=O)=O)=CC=C2)C=C(C=C1)C(=O)NC1=C2C(C=C(C=C2S(O)(=O)=O)S(O)(=O)=O)=C(C=C1)S(O)(=O)=O HMDB0015582
C1=CN(C=N1)C(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1 HMDB0015583
[H][C@]12CC[C@]([H])(CC(C1)N1C(C)=NN=C1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)C1=CC=CC=C1 HMDB0015584
CN(C)CCC(O)(C1=CC=CC=C1)C1=CC=CC=C1Cl HMDB0015585
CC1CC(CC(C)(C)C1)OC(=O)C(O)C1=CC=CC=C1 HMDB0015586
[H][C@@]12C[C@]1([H])[C@@]1(C)C(=CC2=O)C(Cl)=C[C@@]2([H])[C@]3([H])CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@]12[H] HMDB0015587
FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1 HMDB0015589
FC1=CC=C(C=C1)C(CCCN1CCC2(CC1)N(CNC2=O)C1=CC=CC=C1)C1=CC=C(F)C=C1 HMDB0015590
C[N+]1(C)CCCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0015591
COC1=C(OC)C=C2C3CC(=O)C(CC(C)C)CN3CCC2=C1 HMDB0015592
C[C@H]1CCC[C@@]2(C)O[C@@]2([H])C[C@H](NC(=O)C[C@@H](O)C(C)(C)C(=O)[C@@H](C)[C@H]1O)C(\C)=C\C1=CSC(C)=N1 HMDB0015593
OC(CNCC(O)C1CCC2=C(O1)C=CC(F)=C2)C1CCC2=C(O1)C=CC(F)=C2 HMDB0015594
CC1=CN(C=N1)C1=CC(=CC(NC(=O)C2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)=C1)C(F)(F)F HMDB0015595
OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N HMDB0015596
[H][C@@]12C[C@H](CC)[C@]3([H])N(C1)CCC1=C(NC4=CC(=C(OC)C=C14)[C@@]1([H])C[C@]4([H])C(C(=O)OC)[C@@]([H])(CC5=C1NC1=CC=CC=C51)N(C)C\C4=C\C)[C@@]3(C2)C(=O)OC HMDB0015597
OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O HMDB0015598
CSC1=CC=C(C=C1)C(=O)C1=C(C)NC(=O)N1 HMDB0015599
OC(=O)CCCN1CCC(CC1)OC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1 HMDB0015600
CC(C)C1NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CSSCC(NC1=O)C(=O)NC(CC1=CC2=CC=CC=C2N1)C(N)=O)NC(=O)C(N)CC1=CC=CC=C1 HMDB0015601
CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)C1=CC=CC=C1 HMDB0015602
CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCC1=CC=C(C=C1)C(\N)=N\O)C1CCCCC1 HMDB0015603
CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1 HMDB0015604
CC1(C)CCC(C)(C)C2=C1C=CC(NC(=O)C1=CC=C(C=C1)C(O)=O)=C2 HMDB0015605
CC(OC1=C(Cl)C=CC=C1Cl)C1=NCCN1 HMDB0015606
CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1 HMDB0015607
CCC1=C(CC)C=C2CC(CC2=C1)NC[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1 HMDB0015608
[H][C@@]12[C@@H]3SC[C@]4(NCCC5=C4C=C(OC)C(O)=C5)C(=O)OC[C@H](N1[C@@H](O)[C@@H]1CC4=CC(C)=C(OC)C(O)=C4[C@H]2N1C)C1=C2OCOC2=C(C)C(OC(C)=O)=C31 HMDB0015609
[Ag+].NC1=CC=C(C=C1)S(=O)(=O)[N-]C1=NC=CC=N1 HMDB0015610
CN1C(=O)CC(C)(C1=O)C1=CC=CC=C1 HMDB0015611
[Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O HMDB0015612
[H][C@@]12CCC3=CC(C(C)C)=C(C=C3[C@@]1(C)CCC[C@@]2(C)C(O)=O)S(O)(=O)=O HMDB0015613
CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C HMDB0015614
CCCN(CCC1=CC=CS1)C1CCC2=C(C1)C=CC=C2O HMDB0015615
[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=NC=CN=C1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC1 HMDB0015616
O.O.O.O.O.O.O.O.O.O.[OH-].[OH-].[Na+].[Na+].[Na+].[Sb+3].[SbH+4].[H][C@@](O)(CO)[C@@]([H])([O-])[C@]([H])([O-])[C@@]([H])([O-])C([O-])=O.[H][C@@](O)(CO)[C@@]([H])([O-])[C@]([H])([O-])[C@@]([H])([O-])C([O-])=O HMDB0015617
FC1=CC=C(C=C1)N1C=C(C2CCN(CCN3CCNC3=O)CC2)C2=C1C=CC(Cl)=C2 HMDB0015618
NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1 HMDB0015619
CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21 HMDB0015620
COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1 HMDB0015621
CC1=C(N(N=C1C(=O)NN1CCCCC1)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(Cl)C=C1 HMDB0015623
[H][C@]12CC(N(C(=O)C3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CS3)NC(=O)CNC(=O)C3C[C@@H](O)CN3C(=O)C3CCCN3C(=O)C(CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O HMDB0015624
CC(=O)OC1=CC2=C(CCN(C2)C(C(=O)C2CC2)C2=CC=CC=C2F)S1 HMDB0015625
N[C@H]([C@@H](O)C1=CC(O)=C(O)C=C1)C(O)=O HMDB0015627
CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCC1CCCN1C)C1=NC(=O)C2=C(N1)C(CCC)=NN2C HMDB0015628
CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)CC2=CC3=C(OCO3)C=C2C)=C1Cl HMDB0015629
C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(=O)NCC(O)=O)CC[C@@]1(C)C1=CC(O)=CC=C1 HMDB0015631
OCC(C)(CO)C(=O)O[C@@H]1CC[C@@H](C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](OC)C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)C[C@H]1OC HMDB0015632
CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC HMDB0015633
N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 HMDB0015634
COC1=CC2=C(C=CC=C2CCNC(C)=O)C=C1 HMDB0015636
NC(=O)C1=CC2=C(O1)C=CC(=C2)N1CCN(CCCCC2=CNC3=C2C=C(C=C3)C#N)CC1 HMDB0015637
NCCO.CCCCCCCC\C=C/CCCCCCCC(O)=O HMDB0015638
COC1=CC=C(CN(CCN(C)C)C2=NC=CC=C2)C=C1 HMDB0015639
CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C HMDB0015640
CCCCCCOC(=O)N=C(N)C1=CC=C(NCC2=NC3=C(C=CC(=C3)C(=O)N(CCC(=O)OCC)C3=CC=CC=N3)N2C)C=C1 HMDB0015641
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O HMDB0015642
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC)[C@@H]2C)O4 HMDB0015643
CNCCC1=CC=CC=N1 HMDB0015644
CC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C(NC(N)=O)C=C1)NC(=O)[C@H](CC1=CC=C(NC(=O)[C@H]2CC(=O)NC(=O)N2)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCCC1C(=O)N[C@H](C)C(N)=O HMDB0015645
CN(C)CC(C1=CC=C(O)C=C1)C1(O)CCCCC1 HMDB0015646
COC(=O)[C@@H]([C@H]1CCCCN1)C1=CC=CC=C1 HMDB0015647
CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1)C(C)C HMDB0015648
[Gd+3].OCC(O)C(CO)N1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1 HMDB0015649
O.[Na+].[Na+].[Na+].[Gd+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC(COP([O-])(=O)OC1CCC(CC1)(C1=CC=CC=C1)C1=CC=CC=C1)N(CC([O-])=O)CC([O-])=O HMDB0015650
CNC(C)CCC=C(C)C HMDB0015651
C[C@H](N)[C@H](O)C1=CC(O)=C(O)C=C1 HMDB0015652
CCCCN(CCCC)CC(O)C1=C2C(=CC(Cl)=C1)\C(=C/C1=CC=C(Cl)C=C1)C1=C2C=CC(Cl)=C1 HMDB0015653
CC(C[N+](C)(C)C)OC(C)=O HMDB0015654
[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C HMDB0015655
C(C1=NCCN1)C1=CC=CC2=CC=CC=C12 HMDB0015656
COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N HMDB0015657
CCC12CCC3C(CCC4=CC(CCC34)=NO)C1CCC2(O)C#C HMDB0015658
CNC(C)CC1CCCCC1 HMDB0015659
[Na+].[Na+].CC(C)C1=CC=CC(C(C)C)=C1OCOP([O-])([O-])=O HMDB0015661
C[C@@H](O[C@H]1OCCN(CC2=NC(=O)N(N2)P(O)(O)=O)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F HMDB0015662
CN1\C(=C(\O)NC2=CC=CC=N2)C(=O)C2=C(C=C(Cl)S2)S1(=O)=O HMDB0015666
NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=NN1C1=CC=CC=C1 HMDB0015667
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C HMDB0015668
CCOC1=C(OCC)C=C(\C=C2/NCCC3=CC(OCC)=C(OCC)C=C23)C=C1 HMDB0015669
CN1CCC(CC1)=C1C2=NC=C(C=O)N2CCC2=CC=CC=C12 HMDB0015670
[NH4+].CC(O)C([O-])=O HMDB0015671
[H][C@@](O)([C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1)C(=O)O[C@@]1([H])C[C@@]2(O)[C@@]([H])(OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@]4([H])C[C@]([H])(OC)[C@@]3(C)C(=O)[C@]([H])(OC)C(=C1C)C2(C)C)OC(C)=O HMDB0015672
NC(=O)N[C@@H](CCC(O)=O)C(O)=O HMDB0015673
[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C HMDB0015676
OCC(S)CS HMDB0015677
NC(=O)CC1=CC=CC(C(=O)C2=CC=CC=C2)=C1N HMDB0015678
OC1=C(C=C(Cl)C=C1)C(=O)NC1=C(Cl)C=C(C=C1)[N+]([O-])=O HMDB0015679
CCCCCCCCCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1 HMDB0015680
C(N1CCCNCCNCCCNCC1)C1=CC=C(CN2CCCNCCNCCCNCC2)C=C1 HMDB0015681
CO[C@@H]([C@@H]1CC2=CC3=CC(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)=C(C)C(O)=C3C(O)=C2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1)C(=O)[C@@H](O)[C@@H](C)O HMDB0015682
CN(C(=O)C(Cl)Cl)C1=CC=C(OC(=O)C2=CC=CO2)C=C1 HMDB0015684
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N=[N+]=[N-])C1=CC=CC=C1)C(O)=O HMDB0015685
O=C(OCCOCCN1CCCCC1)N1C2=CC=CC=C2SC2=C1N=CC=C2 HMDB0015686
NC(=O)C1=CC=CC=C1O HMDB0015687
CC1=C(C)N=C(NS(=O)(=O)C2=CC=C(N)C=C2)O1 HMDB0015688
C(N(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NCCN1 HMDB0015689
CN(C)CCN(CC1=CC=C(Cl)C=C1)C1=CC=CC=N1 HMDB0015690
CC(C1=C(CCN(C)C)CC2=CC=CC=C12)C1=CC=CC=N1 HMDB0015691
CC(CN1C2=CC=CC=C2SC2=C1N=CC=C2)N(C)C HMDB0015692
CC(C)C1=C(OCC2=NCCN2)C=C(C)C=C1 HMDB0015693
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C HMDB0015694
CC(=O)OCC(=O)NCCCOC1=CC=CC(CN2CCCCC2)=C1 HMDB0015695
CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C1=CC=CC=C1 HMDB0015696
CC1=CC(OCC(O)CNC(C)(C)C)=C(Cl)C=C1 HMDB0015697
CCOC1=CC(N)=C(C=C1C(=O)NC1CCN(CC2CCC=CC2)CC1)[N+]([O-])=O HMDB0015698
CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1 HMDB0015699
CCCSC1=NC2=C(N=NN2[C@@H]2C[C@H](OCCO)[C@@H](O)[C@H]2O)C(N[C@@H]2C[C@H]2C2=CC(F)=C(F)C=C2)=N1 HMDB0015702
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(F)(F)COC1=CC=CC=C1 HMDB0015704
CC(C)(C)C1=CC(=C(O)C=C1NC(=O)C1=CNC2=CC=CC=C2C1=O)C(C)(C)C HMDB0015705
COC1=C(OC)C=C(CC2N(C)CCC3=CC(OC)=C(OC)C=C23)C=C1 HMDB0030213
CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132
NCCN HMDB0031225
CC1=C(OS(O)(=O)=O)C2=CC=CC=C2C(OS(O)(=O)=O)=C1 HMDB0032723
CC(=O)OC1=CC(C)=C(OC(C)=O)C2=CC=CC=C12 HMDB0032725
CCCC(=O)OC1=CC(C)=C(OC(=O)CCC)C2=CC=CC=C12 HMDB0032726
NC(=N)NCCCC(N=C(O)CCC(O)=O)C(O)=O HMDB0032764
OCC1=CC(=O)C(O)=CO1 HMDB0032923
O1C=CC2=C1C=CC=C2 HMDB0032929
CC1=C(CCO)SC=N1 HMDB0032985
C[C@@H](O)[C@@H](C)O HMDB0033007
OC(=O)C1=CC=CC(=N1)C(O)=O HMDB0033161
OC1=CC=C(C=C1)C1=C(O)C(=O)O\C(=C\C2=CC(O)=C(O)C=C2)C1=O HMDB0033240
CC(=O)C1=CC=CC=C1 HMDB0033910
COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5(C)=O HMDB0033948
OC[C@H]1O[C@@H](OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O HMDB0033991
CNC1CC(N)C(O)C(OC2OC(CO)C(O)C3OC4(OC23)OC(C(N)CO)C(O)C(O)C4O)C1O HMDB0034229
C\C=C/C=O HMDB0034233
CCCOC(C)=O HMDB0034237
C1=CC=C2C=NC=CC2=C1 HMDB0034244
COC1=CC(=O)C(OC)=CC1=O HMDB0034335
COC(=O)CC\C=C/CC\C=C/C HMDB0034708
CC(C)(CC#N)OC1OC(CO)C(O)C(O)C1O HMDB0034777
NS(O)(=O)=O HMDB0034830
COC1=CC2=C(C=C1)N(O)C(=O)C(O)O2 HMDB0034864
OC(C(O)=O)C(O)=O HMDB0035227
CN1C=NC2=C1N=C(NCCO)N=C2NCC1=CC=CC=C1 HMDB0035233
OCC1NCC(O)C(O)C1O HMDB0035359
[O-][N+]#N HMDB0035807
NC1(CC1)C(O)=O HMDB0036458
CCCCCCCCCCCC(=O)OCCOCC(OCCO)C1OCC(OCCO)C1OCCO HMDB0037182
CCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](OCCO)[C@H]1OCCO HMDB0037183
OCC1=C(N2C(SC1)C(NC(=O)CSC1=CC=NC=C1)C2=O)C(O)=O HMDB0037269
OC1=CC=C(\C=C\C(=O)C2=CC=C(O)C=C2O)C=C1 HMDB0037316
COC1=CC(O)=C2C(=O)[C@@H](O)[C@H](OC2=C1)C1=CC=C(O)C=C1 HMDB0037507
[Al+3].OC(=O)C1=NN(C(O)=C1\N=N\C1=CC=C(C=C1)S(O)(=O)=O)C1=CC=C(C=C1)S(O)(=O)=O HMDB0037722
CC(N)C(=O)CCCCCC(O)=O HMDB0037790
CC1OC(OC2=C([O+]=C3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3=C2)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O HMDB0038002
CC(CC\C=C(/C)C(O)=O)C1CC(O)C2(C)C3CCC4C5(CC35C(O)CC12C)CCC(O)C4(C)C HMDB0038116
COC1C(=O)CCC2(CO2)C1(O)C1(C)OC1CC=C(C)C HMDB0038120
CC(C)C(=O)[C@]1(CC[C@@H](C)C(=O)C1)[C@@H](C)CC(O)=O HMDB0038165
CCC1=C(C)C2=[N]3C1=CC1=C(C)C4=C5N1[Mg]31N3C(=CC6=[N]1C(C(CCC(=O)OC\C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C6C)=C5C(C(=O)OC)C4=O)C(C)=C(C=C)C3=C2 HMDB0038578
OC1C2CCC(O)(N2)C(O)C1O HMDB0038594
OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)COC(O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O HMDB0038854
OCC1NCC(O)C1O HMDB0039499
CC1OC(CC2=CC=CC=C2)OC1C HMDB0039841
O=COCC1=CC=CC=C1 HMDB0041485
[H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OS(O)(=O)=O)C=C3CC[C@@]21[H] HMDB0041620
CC=C1N(C)C(C)CC1(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0041803
CN(CCCC(O)C1=CN=CC=C1)N=O HMDB0041809
CC(O)=NNC(=O)C1=CC=NC=C1 HMDB0041821
C=CC=O HMDB0041822
CNN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCN(C)CC1 HMDB0041826
NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CS2)C(=C1)C1=NNN=N1 HMDB0041831
O[C@@H]1[C@@H](O)[C@@H](OC2=C(O)C(O)=C3C(=O)C=C(OC3=C2)C2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O HMDB0041832
OC1=NC(=O)N=C(O)C1 HMDB0041833
CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=CC=CC=C2O1 HMDB0041834
[H][C@@]1(CC2CCC([C@@H]1C(O)=O)N2C)OC(=O)C1=CC=CC=C1 HMDB0041836
[Cl-].COC1=C(OC)C2=C[N+]3=C(C=C2C=C1)C1=CC2=C(OCO2)C=C1CC3 HMDB0041837
CCOC(O)=NNC1=NN=C(C=C1)N(CC)CC(C)O HMDB0041845
[H][C@]12SCC(CSC3=NC(C)=C(CC(O)=O)S3)=C(N1C(=O)[C@@]2([H])N=C(O)C(=N/OC)\C1=CSC(=N)N1)C(O)=O HMDB0041850
[H][C@](N=C(O)C1=C(NC=N1)C(O)=O)(C(O)=N[C@]1([H])C(=O)N2C(C(O)=O)=C(C[N+]3=CC=C(CCS([O-])(=O)=O)C=C3)CS[C@]12[H])C1=CC=CC=C1 HMDB0041851
[H][C@]12SCC(C[N+]3=CC=CC4=C3CCC4)=C(N1C(=O)[C@@]2([H])N=C(O)C(=N/OC)\C1=CSC(=N)N1)C([O-])=O HMDB0041852
CC(CC1=CC=CC=C1)NCC1=CC=CC=C1Cl HMDB0041858
CCOC(=O)C1C2CCC(CC1OC(=O)C1=CC=CC=C1)N2C HMDB0041860
CCCCCC1=CC(O)=C2C3C=C(C)CCC3C(C)(C)OC2=C1 HMDB0041865
OC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=N(=O)C1 HMDB0041867
[H][C@]12SCC(CO)=C(N1C(=O)[C@@]2([H])N=C(O)C(=N/OC)\C1=CSC(=N)N1)C(O)=O HMDB0041868
CCNCCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1 HMDB0041870
CC1=C(C)C(CC2=CN=CN2)=CC=C1 HMDB0041872
[H][C@@](C)(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1 HMDB0041873
CC(CC1=CC=CC=C1)N(C)C HMDB0041880
OC1=C(O)C=C(CCNCCCCCCNCCC2=CC=CC=C2)C=C1 HMDB0041882
[H][C@]12[C@@H](C)C(S[C@]3([H])CN[C@H](CNS(N)(=O)=O)C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O HMDB0041883
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C3=C1O)[C@@H](O)CO)C2=O HMDB0041884
NC(=N)NC1=NC(CSCCN=CNS(=O)(=O)C2=CC=C(Br)C=C2)=CS1 HMDB0041885
CCN(CC)CCN1C=NC2=C1C(=O)N(C)C(=O)N2C HMDB0041889
CCC1=CC2=C(S1)N1C(C)=NN=C1CN=C2C1=CC=CC=C1Cl HMDB0041890
CC(C)C1=C(CN(C)C(C)CC2=CC=CC=C2)N(C)N(C1=O)C1=CC=CC=C1 HMDB0041891
[H][C@]12SC([C@H]3CCCO3)=C(N1C(=O)[C@@H]2[C@@H](C)O)C(O)=O HMDB0041892
[Fe+3].OC1=NCCCCCN([O-])C(=O)CCC(O)=NCCCCCN([O-])C(=O)CCC(O)=NCCCCCN([O-])C(=O)CC1 HMDB0041894
CC1CCC2=CC(F)=CC3=C2N1C=C(C(O)=O)C3=O HMDB0041895
[Gd] HMDB0041899
CC(O)=NCCCCCCN=C(C)O HMDB0041901
CNCCC1=CC(OC(=O)C(C)C)=C(OC(=O)C(C)C)C=C1 HMDB0041906
[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(=O)OCC)C(=O)N1C(=O)N(C)C[C@@]1([H])C(O)=O HMDB0041907
COCC(O)CN(C(C)=O)C1=C(I)C(C(O)=NCC(O)CO)=C(I)C(C(O)=NCC(O)CO)=C1I HMDB0041909
COCC(O)=NC1=C(I)C(C(O)=NCC(O)CO)=C(I)C(C(=O)N(C)CC(O)CO)=C1I HMDB0041910
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2N=C(O)[C@@H](O)CN)OC[C@]1(C)O HMDB0041911
OC(=O)CNC(=O)C1=CC=NC=C1 HMDB0041912
CCC(=O)C1(CCN(C)CC1)C1=CC(O)=CC=C1 HMDB0041913
CC(=O)CCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1 HMDB0041914
CCN=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](CC(C)C)N=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@H](CO)N=C(O)[C@H](CC1=CNC2=CC=CC=C12)N=C(O)[C@H](CC1=CN=CN1)N=C(O)[C@@H]1CCC(O)=N1 HMDB0041916
O[C@@H]1[C@@H](O)[C@H](OC2N=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N=C2O)O[C@@H]([C@H]1O)C(O)=O HMDB0041917
CC(C)N1CCC(CC1)N(C(=O)CC1=CC=CC=C1)C1=CC=C(Cl)C=C1 HMDB0041918
CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1Cl HMDB0041919
CC(C(O)=O)C1=CC=C(CC2CCCC2=O)C=C1 HMDB0041920
Cl.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1.CC1=CC=CC=C1N1C(C)=NC2=CC=CC=C2C1=O HMDB0041921
CNC(C)C(=O)C1=CC=C(C)C=C1 HMDB0041923
[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C HMDB0041925
CNC(C)C(=O)C1=CC=CC=C1 HMDB0041927
[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)C=C(C)[C@]4(C)[C@@]3([H])CC[C@]12C HMDB0041928
CNC(C)CC1=CC=CC=C1OC HMDB0041930
CC(N)CC1=CC2=C(OCO2)C=C1 HMDB0041931
CC(C(O)C1=CC=CC=C1)N(C)C HMDB0041932
[H][C@@]12C[C@@H]([C@H](CC)CN1CCC1=C2NC2=C1C(OC)=CC=C2)C(=C/OC)\C(=O)OC HMDB0041933
NC(=O)C1=C(O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O HMDB0041934
COC1=CC=CC=C1OCC(O)CNC(C)C HMDB0041935
[H][C@@]12CC3=C4C(O[C@H]5[C@@H](O)C=C[C@@H]1[C@@]45CCN2C)=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3 HMDB0041936
CN1CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@@H]2C=C[C@@H]4O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)=C35 HMDB0041937
COC1=NC(C)=NC(Cl)=C1NC1=NCCN1 HMDB0041938
COC(=O)C1C2CCC(CC1C(=O)OC1=CC=CC=C1)N2 HMDB0041955
[H][C@@]12CC3=C4C(OC5[C@@H](O)CCC1[C@@]45CCN2)=C(OC)C=C3 HMDB0041956
OC1C=CC2C3CC4=C5C(OC1C25CCN3)=C(O)C=C4 HMDB0041959
[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN[C@]([H])(C4)[C@]1(O)CCC2=O HMDB0041960
O[C@@H]1[C@@H](O)[C@H](OC2N=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N=C2O)O[C@@H]([C@H]1O)C(O)=O HMDB0041969
CC1=C(CSCCN=C2NC=C(CC3=CC4=C(OCO4)C=C3)C(O)=N2)NC=N1 HMDB0041970
[H][C@@]12OC3=C(OCCN4CCOCC4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O HMDB0041984
[H]\C(CNC1=C(N)C(=O)C1=O)=C(/[H])COC1=NC=CC(CN2CCCCC2)=C1 HMDB0041986
ClC1=CC2=C(C=C1)N(CC#C)C(=O)CN=C2C1=CC=CC=C1 HMDB0041988
CCN1C=C(C(O)=O)C(=O)C2=CN=C(N=C12)N1CCNCC1 HMDB0041989
OC(=N)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)N1CCCCC1 HMDB0041990
O[C@H](C[C@H](O)\C=C\C1=C(C2=CC=C(F)C=C2)C2=CC=CC=C2N=C1C1CC1)CC(O)=O HMDB0041991
CC(C(O)=O)C1=CC2=C(OC3=C(C2)C=CC=N3)C=C1 HMDB0041996
CCCC(CC1=CC=CC=C1)N1CCCC1 HMDB0041998
CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0041999
COC1=CC=C2NC3=C(C=CC(Cl)=C3)C(N=C3C=C(CN4CCCC4)C(=O)C(CN4CCCC4)=C3)=C2N1 HMDB0042003
CC1=NC2=CC=CC=C2C=C1 HMDB0042004
OC(=O)C(C1CCCCN1)C1=CC=CC=C1 HMDB0042008
CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN3CCSC1=C23)C(O)=O HMDB0042009
O=C1N2CCC3=C(NC4=CC=CC=C34)C2=NC2=CC=CC=C12 HMDB0042010
CC(C)=CCOC1=CC=C(\C=C\C(=O)C2=C(OCC(O)=O)C=C(OCC=C(C)C)C=C2)C=C1 HMDB0042013
CN1CCCCC1CCN1C2=CC=CC=C2SC2=C1C=C(C=C2)S(C)(=O)=O HMDB0042015
CCCCC1(COC(=O)CCC(O)=O)C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1 HMDB0042019
CC(C)(C)NCC(O)COC1=CC=C(NC(O)=NC2CCCCC2)C=C1 HMDB0042020
Cl.[H][C@@](C)(CC1=CC(=C(OC)C=C1)S(N)(=O)=O)NCCOC1=CC=CC=C1OCC HMDB0042022
[H][C@@]12C[C@H](O)[C@]3(C)C([C@H](OC(=O)C4=CC=CC=C4)[C@]4(O)C[C@H](OC(=O)[C@H](O)[C@@H](N=C(O)OC(C)(C)C)C5=CC=CC=C5)C(C)=C([C@@H](O)C3=O)C4(C)C)[C@@]1(CO2)OC(C)=O HMDB0042023
Cl.CC(CC(C1=CC=CC=C1)C1=CC=CC=C1)NC(C)(C)C HMDB0042025
CC(C)(C)NCC(O)COC1=CC=CC2=C1SCCC2 HMDB0042026
CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CCCCC1 HMDB0042029
CN1C2=CC=CC=C2C(NCCCCCCC(O)=O)C2=C(C=C(Cl)C=C2)S1(=O)=O HMDB0042038
CCN(CC)CCN=C(O)C1=C(OC)C=CC(=C1)S(C)(=O)=O HMDB0042039
[H]C12CC[C@@](SC)(SCC)C1(C)CC([H])(O)[C@@]1(F)C2([H])CCC2=CC(=O)C=CC12C HMDB0042040
Cl.CCOC(O)=NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN(C)C)C=C1 HMDB0042041
CCCN(CCC)C(=O)C(CC1=CC=C(OCCN(CC)CC)C=C1)N=C(O)C1=CC=CC=C1 HMDB0042042
CC1=C(Cl)C=CC=C1NC1=CC=CC=C1C(O)=O HMDB0042043
CN1C(CC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=CC=C1C(=O)C1=CC=C(C)C=C1 HMDB0042044
CS(=O)(=O)OCC(O)C(O)COS(C)(=O)=O HMDB0042046
[H]C12CC[C@]([H])(C1)[C@]1([H])CN(C[C@]21[H])N=C(O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O HMDB0042054
[Cl-].[H][C@]12CC[C@]([H])(CC([H])(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1)[N+]21CCCC1 HMDB0042055
Cl.CC(C)(C)NCC(O)C1=CC=CC=C1Cl HMDB0042056
OC1CCCC2=C1C(=N)C1=CC=CC=C1N2 HMDB0042058
COC1=C(OC)C=C(C=C1)C(=O)N1CCN(CC1)C1=CC=C2NC(=O)CCC2=C1 HMDB0042059
OC(=O)C1=CN=CC=N1 HMDB0059734
CC(=O)NC1=CC=C(OS(O)(=O)=O)C=C1 HMDB0059911
OCC(COC(O)=N)C1=CC=CC=C1 HMDB0060351
OC(=N)OCC(C=O)C1=CC=CC=C1 HMDB0060366
OC(=N)OCC(C(O)=O)C1=CC=CC=C1 HMDB0060367
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O HMDB0060382
NC(CCC(O)=NC(CSC1CCOP(=O)(N1)N(CCCl)CCCl)C(O)=NCC(O)=O)C(O)=O HMDB0060387
OC1N=C(O)OCC1C1=CC=CC=C1 HMDB0060389
O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(F)C(O)=NC1=O HMDB0060394
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(F)C(=O)NC1=O HMDB0060396
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(F)C(O)=NC1=O HMDB0060397
OC1=NC(=O)OCC1C1=CC=CC=C1 HMDB0060400
OC1=NCC(F)C(O)=N1 HMDB0060402
C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(F)C(=N)N=C1O HMDB0060405
C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(F)C(O)=NC1=O HMDB0060406
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2S HMDB0060411
CSC1=NC=NC2=C1N=CN2 HMDB0060412
CSC1=NC(=N)NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O HMDB0060413
CSC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O HMDB0060414
NC1=NC(=S)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O HMDB0060415
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2S HMDB0060416
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(O)N=C2S HMDB0060418
CC(O)=NN HMDB0060428
NP(=O)(OCCCO)N(CCCl)CCCl HMDB0060432
NP(=O)(OCCC=O)N(CCCl)CCCl HMDB0060433
OC(=N)NCC(F)C(O)=O HMDB0060435
FC1=CC=C(C=C1)C1(CCC=O)OCC2=C1C=CC(=C2)C#N HMDB0060462
OC(=O)CCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 HMDB0060463
[H][C@]12C=C[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@H]3OC4=C5C(C[C@H]1N(C)CC[C@@]235)=CC=C4OC HMDB0060464
NCCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 HMDB0060472
COC1=C(C)C2=C(C(=O)OC2)C(O)=C1C\C=C(/C)CCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O HMDB0060491
CC(O)=NN=C(C)O HMDB0060496
CCC1=C2C=C(OC(=O)N3CCC(N)CC3)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O HMDB0060499
CCC1=C2C=C(O)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O HMDB0060510
CCC1=C2C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O HMDB0060511
CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCC[N+](C)(C)[O-])C=C1)C1=CC=CC=C1 HMDB0060513
CCCCC1=C(C(=O)C2=CC(I)=C(OCCNCC)C(I)=C2)C2=CC=CC=C2O1 HMDB0060528
NC1=CC=C(C=C1)S(=O)(=O)NC1=NOC(CO)=C1 HMDB0060529
CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 HMDB0060530
NCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12 HMDB0060531
CN(C)CC(C1=CC=C(O)C=C1)C1(O)CCCCC1 HMDB0060532
CCC1(NC(=O)NC1=O)C1=CC=CC=C1 HMDB0060533
ClC1=CC=C(CC2=NN(C3CCCNCC3)C(=O)C3=CC=CC=C23)C=C1 HMDB0060534
CNCCOC(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0060535
ClC1=CC=C2NC3=CC=CC=C3C(=NC2=C1)N1CCNCC1 HMDB0060536
CCC1(C(=O)NC(=O)NC1=O)C1=CC=C(O)C=C1 HMDB0060537
ClC1=CC=C2NC(=O)CN=C(C3=CC=CC=C3)C2=C1 HMDB0060538
COC1=C(OC)C=C(CCNCCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1 HMDB0060540
ClC1=CN=C(C=C1)N1C(OC(=O)N2CCNCC2)C2=NC=CN=C2C1=O HMDB0060541
OC(=O)CC1=CC(O)=CC=C1NC1=C(Cl)C=CC=C1Cl HMDB0060542
CCC1=C2NC3=C(CCOC3(CC)CC(O)=O)C2=CC(O)=C1 HMDB0060543
CCC1=C2NC3=C(CCOC3(CC)CC(O)=O)C2=CC=C1O HMDB0060544
CC1=C(CC(O)=O)C2=C(C=CC(O)=C2)N1C(=O)C1=CC=C(Cl)C=C1 HMDB0060545
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1)=C(O)C=C4 HMDB0060546
CO.CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4 HMDB0060547
[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2O HMDB0060548
NC1(CCCCC1=O)C1=CC=CC=C1Cl HMDB0060549
CNC1(CCCC(O)C1=O)C1=CC=CC=C1Cl HMDB0060550
NCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1 HMDB0060551
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC1=C3C=C(O)C=C1 HMDB0060552
CCCCC1=NC(Cl)=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)C(O)=O HMDB0060553
CC1=NN=C2C(O)N=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12 HMDB0060554
OC1=CC(Cl)=C(NC2=NCCN2)C(Cl)=C1 HMDB0060555
COC1=CC=CC=C1OCC(O)C(O)=O HMDB0060557
COC1=CC(C(O)CN)=C(OC)C=C1 HMDB0060558
CC(O)=NC1=CC=C(SC[C@H](N)C(O)=O)C=C1 HMDB0060559
CCCS(=O)C1=CC2=C(C=C1)N=C(N2)N=C(O)OC HMDB0060560
CCCS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)N=C(O)OC HMDB0060561
C[C@H](CSSC[C@H](N)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O HMDB0060562
CC(CC1=CC=C(C=C1)C(C)C(O)=O)C(O)=O HMDB0060564
CC(C)C(O)C1=CC=C(C=C1)C(C)C(O)=O HMDB0060565
OC(=N)N1C2=CC=CC=C2C=CC2=CC(=O)C(=O)C=C12 HMDB0060566
O[C@@H]1[C@@H](O)C2=CC=CC=C2N(C(O)=N)C2=CC=CC=C12 HMDB0060568
C[C@@H]1C=C[C@@H]2[C@@H](C)C(=O)O[C@H]3O[C@](C)(O)CC[C@@H]1C23 HMDB0060569
C[C@@H]1CC[C@H]2[C@@H](C)C(O)O[C@@H]3OC4(C)CC[C@@H]1[C@@]23O4 HMDB0060570
NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(C=C1)C(O)=O)C(F)(F)F HMDB0060571
CN(C)(=O)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2 HMDB0060573
CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(O)=O HMDB0060574
CC(=O)\C=C(/C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O HMDB0060575
CNCCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 HMDB0060576
CN(C)(=O)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2 HMDB0060577
COC1=C(OC)C=C2C3CC(O)C(CC(C)C)CN3CCC2=C1 HMDB0060578
C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O HMDB0060579
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C HMDB0060580
CCO\N=C(/C(O)=N[C@H]1[C@H]2SCC(SC3=NC(=CS3)C3=CC=[N+](C)C=C3)=C(N2C1=O)C(O)=O)C1=NC(SN1)=NP(O)(O)=O HMDB0060581
OC(=O)CN1C2=CC=CC=C2CC[C@H](N[C@@H](CCC2=CC=CC=C2)C(O)=O)C1=O HMDB0060582
C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(O)=O HMDB0060583
C[C@]12CC[C@H]3[C@@H](CC=C4CC(CC[C@]34C)OS(O)(=O)=O)[C@@H]1CC=C2C1=CN=CC=C1 HMDB0060584
CC(O)C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)\C1=CC=CC=C1 HMDB0060585
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(N=C(O)C(F)(F)F)C(O)C(C)O4)C3=C1O)C(O)CO)C2=O HMDB0060586
NCCOCC([O-])=O HMDB0060587
ClCCNP(=O)(NCCCl)OCCC=O HMDB0060588
NC1=CC=C(O1)C=NN1CC(O)=NC1=O HMDB0060589
[O-][N+]1=CC(Cl)=C(NC(=O)C2=CC(OCC3CC3)=C(OC(F)F)C=C2)C(Cl)=C1 HMDB0060590
C[C@@H](N)[C@@H](O)C1=CC=C(O)C=C1 HMDB0060592
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3OC4(C)CC[C@@H]1[C@@]23OO4 HMDB0060593
C[N+](C)([O-])CC\C=C1/C2=C(COC3=C1C=CC=C3)C=CC=C2 HMDB0060594
C[N+](C)([O-])CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2 HMDB0060595
C[N+]1(CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=C1C=CC=C2)C1OC(C(O)C(O)C1O)C([O-])=O HMDB0060596
OC1=CC=CC=C1C(=O)NC1=NC=C(S1)[N+]([O-])=O HMDB0060597
OC1=NC(C(O)=N1)(C1=CC=CC=C1)C1=CC=C(O)C=C1 HMDB0060598
NC1=NC(=O)N(C=C1)[C@H]1CS(=O)[C@@H](CO)O1 HMDB0060599
OC(=O)C1=C\C(C=CC1=O)=N\NC1=CC(C(O)=O)=C(OS(O)(=O)=O)C=C1 HMDB0060600
OC1=NC2=C(N1)N=C(O)N=C2S HMDB0060601
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CC(C)(C(O)C1=CN=CC=C1)C1=CN=CC=C1 HMDB0060605
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CC(O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1 HMDB0060610
CC[C@H]([C@@H](C)CNC)C1=CC(O)=CC=C1 HMDB0060611
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CCC1=NC=CC(=C1)C(N)=S=O HMDB0060624
CCCNCCC1=CC=CC2=C1CC(=O)N2 HMDB0060625
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CNCCOC(C1=CC=CC=C1)C1=CC=CC=C1C HMDB0060632
CO\N=C1/CN(CC1NC(C)=O)C1=NC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O HMDB0060633
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COP(=S)(OC)SC(CC(O)=O)C(O)=O HMDB0060636
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O[C@H]1CCC(CC1)[C@@H](CC1CCCCN1)C1CCCCC1 HMDB0060644
O=C1CC2=CC=CC=C2C(C2=C1SC=C2)=C1CCNCC1 HMDB0060646
OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=C(O)C=C1 HMDB0060647
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OCCN1CCOCC1 HMDB0060650
NC(=O)N1C2=CC=CC=C2C=CC2=CC(O)=CC=C12 HMDB0060651
OC1=CC=C2NC3=CC=CC=C3C=CC2=C1 HMDB0060652
NC(=O)N1C2=CC=CC=C2C=CC2=CC=C(O)C=C12 HMDB0060653
CN(C)(=O)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 HMDB0060654
CCN(CC)CC(=O)NC1=C(C)C=CC(O)=C1C HMDB0060655
CCNCC(=O)NC1=C(C)C=CC=C1C HMDB0060656
[H][C@]12C=C[C@H](O)[C@@H]3OC4=C5C(C[C@H]1NCC[C@@]235)=CC=C4OC HMDB0060657
NC(=O)N1C2=CC=CC=C2C2OC2C2=CC=CC=C12 HMDB0060658
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C\C(=N/NC(=O)C1=CC=NC=C1)C(O)=O HMDB0060664
OC(=O)C1=CC=NC=C1 HMDB0060665
CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCNC)C=C1)C1=CC=CC=C1 HMDB0060666
CNCCOC1=CC=C(C=C1)C(=C(\C(C)O)C1=CC=CC=C1)\C1=CC=CC=C1 HMDB0060668
NC(=O)OCC(COC(N)=O)C1=CC=C(O)C=C1 HMDB0060669
NC(=O)OCC(O)(COC(N)=O)C1=CC=CC=C1 HMDB0060670
C=C(C=O)C1=CC=CC=C1 HMDB0060671
CCC1=NC(C)CC1(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0060672
NC(=O)N1C2=CC=CC=C2C=CC2=CC(O)=C(O)C=C12 HMDB0060673
O=C1C=CC2=NC3=CC=CC=C3C=CC2=C1 HMDB0060675
NC(=O)N1C2=CC=CC=C2CC(O)C2=CC=CC=C12 HMDB0060676
CC1=CC=CC(C)=C1N HMDB0060677
CCNCC(=O)NC1=C(C)C=CC(O)=C1C HMDB0060678
CC1=CC=CC(C)=C1NC(=O)CN HMDB0060679
CC1=C(N)C(=CC=C1)C(O)=O HMDB0060680
CC1=CC(O)=CC(C)=C1N HMDB0060681
CCC\C(=C/C=C)C(O)=O HMDB0060682
CCCC(CC(C)=O)C(O)=O HMDB0060683
CCCC(CCC(O)=O)C(O)=O HMDB0060684
CCCC(C(O)=O)C(=O)CC HMDB0060685
ClCCN(CCCl)P1(=O)NC(=O)CCO1 HMDB0060686
NP(=O)(OCCC(O)=O)N(CCCl)CCCl HMDB0060687
ClCCNCCCl HMDB0060688
NP(O)(=O)N(CCCl)CCCl HMDB0060689
ClCCNP1(=O)OCCC(=O)N1CCCl HMDB0060690
OP(=O)(NCCCl)NCCCl HMDB0060691
OC(=O)CCOP(=O)(NCCCl)NCCCl HMDB0060692
OCCCOP(=O)(NCCCl)NCCCl HMDB0060693
CNCC\C=C1/C2=C(COC3=C1C=C(O)C=C3)C=CC=C2 HMDB0060699
CN(C)CC\C=C1/C2=C(COC3=C1C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C3)C=CC=C2 HMDB0060700
NC(=O)N1C2=CC=CC=C2C[C@@H](O)C2=C1C=CC=C2 HMDB0060701
NC(=O)N1C2=CC=CC=C2C[C@H](O)C2=C1C=CC=C2 HMDB0060702
CC12CC3CC(N)(C1)CC(CO)(C3)C2 HMDB0060703
CC1(O)CNCCC2=CC=C(Cl)C=C12 HMDB0060704
CC1=C2N=C(OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C3=C(N=CC=C3)N(C3CC3O)C2=NC=C1 HMDB0060705
[H][C@]12O[C@](O)([C@H](C)C[C@@H]1O)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CC=C)\C=C(C)/C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC HMDB0060706
CC[C@]12CC(=C)C3[C@@H](CCC4=CC(O)CC[C@H]34)C1CCC2(O)C#C HMDB0060707
CC(=O)O[C@@]1(CC(O)[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C5CC5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O HMDB0060708
[Br-].C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@H](C[C@]34C)N3CCOCC3)[C@@H]1C[C@@H]([C@@H]2O)[N+]1(CC=C)CCCC1 HMDB0060709
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](CO)C[C@]34C)[C@@H]1CCC2(O)C#C HMDB0060710
N=C1NC2=C(N1)C=C(C=C2)C(=O)C1=CC=CC=C1 HMDB0060711
ClC1=C(Cl)C2=C(NC(=N)NC2)C=C1 HMDB0060712
NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC(Cl)=N1 HMDB0060713
CCC\C(=C/CC)C(=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]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12 HMDB0060714
OC(=O)C1=C(O)C=C(C=C1)C(F)(F)F HMDB0060715
CNCCCN1C2=CC=CC=C2CCC2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=CC=C12 HMDB0060716
CN(C)CCCN1C2=CC=CC=C2CCC2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=CC=C12 HMDB0060717
CN(C)CCCN1C2=CC=CC=C2CCC2=CC(O)=C(Cl)C=C12 HMDB0060718
CC[C@]12CC(=C)C3[C@@H](CCC4=CCC(O)C[C@H]34)C1CCC2(O)C#C HMDB0060719
CC1=CC(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=NC2=C1N=C(O)C1=C(N=CC=C1)N2C1CC1 HMDB0060720
COC1=CC2=C(NC(=O)C2CCNC(C)=O)C=C1 HMDB0060721
OC(=O)CC1=CC=CC=N1 HMDB0060722
CC[CH]C(\C=C\C)C(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12 HMDB0060723
COC1=C(OC)C=C2C(=N)NC(=N)NC2=C1 HMDB0060724
CC1=CC=CC(C)=C1N=C(O)C1CCCCN1 HMDB0060725
OC(=O)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F HMDB0060726
OC[C@@H]1O[C@H](N2C=CC(O)=NC2=O)C(F)(F)[C@@H]1O HMDB0060727
NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)OP(O)(O)=O)O1 HMDB0060728
CC(C)C1CCC2C3C=CC4=CC(=C)CCC4(C)C3CCC12C HMDB0060729
C[C@@]12[C@H](CC[C@]1(O)C1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1C[C@H]2O)[C@@H]1COC(=O)C1 HMDB0060730
C[C@@]12[C@H](CC[C@]1(O)C1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1C[C@H]2O)C1=CC(=O)OC1 HMDB0060731
CO[C@H]1\C=C/O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(N=C(O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H]1C)C(C=NN1CCN(C)CC1)=C2O HMDB0060732
CC(O)(CC1=CC(O)=CC=C1)C(O)=O HMDB0060733
CC(CC1=CC(O)=CC=C1)C(O)=O HMDB0060734
CC(CC1=CC(O)=C(O)C=C1)C(O)=O HMDB0060735
COC1=C(O)C=CC(CC(C)(O)C(O)=O)=C1 HMDB0060736
COC1=C(O)C=CC(CC(C)C(O)=O)=C1 HMDB0060737
CC12CC3(C)CC(N)(C1)CC(O)(C2)C3 HMDB0060738
NN1CCOC1=O HMDB0060739
CCCC(\C=C\C)C(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12 HMDB0060740
OC1=CNC=CC1=N HMDB0060741
COC1=CC2=C(NCC2(O)CCN=C(C)O)C=C1 HMDB0060742
CC1=C2N=C(OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1O HMDB0060743
CCCC(C(O)CC)C(=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]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12 HMDB0060744
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\C(O)=O)C(=O)CC=C(C)C HMDB0060745
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3CC(=O)CC[C@]3(C)[C@H]1C[C@H]2O)C1=CC(=O)OC1 HMDB0060746
COC1=C(O)C=CC(C[C@H](N)C(O)=O)=C1 HMDB0060747
COC1=C(O)C=CC(CC(C)N)=C1 HMDB0060748
CCCC(C(=O)CC)C(=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]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12 HMDB0060749
CC1=CN(C2CC(N)C(CO)O2)C(=O)N=C1O HMDB0060750
CC1=CN(C2CC(N)C(CO[C@@H]3[C@@H](O)C(O)O[C@@H]([C@H]3O)C(O)=O)O2)C(=O)N=C1O HMDB0060751
CC1=CN(C2CC(N=[N+]=[N-])[C@@H](COC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)O2)C(=O)N=C1O HMDB0060752
CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](N=C(O)C1=CC=CC=C1)C1=CC=C(O)C=C1 HMDB0060753
CO[C@H]1\C=C/O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(=O)C(N=C(O)\C(C)=C/C=C\[C@H](CO)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC3(CCN(CC(C)C)CC3)N=C21 HMDB0060754
CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C HMDB0060755
CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C HMDB0060756
NC1=CC=C(C=C1)C(=O)NCCC(O)=O HMDB0060757
OC(=O)CCC(O)=NC1=CC=CC=C1 HMDB0060758
OC(=O)C1=CC=NC2=C1NC(=O)C1=CC=CN=C1N2C1CC1 HMDB0060759
OC(=O)C1=CNN=C1 HMDB0060760
NC1=CC(Cl)=C(C=C1C(O)=O)S(N)(=O)=O HMDB0060761
CCCC(CC=C)C(=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]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12 HMDB0060762
CNCC[C@H](OC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C2=CC=CC=C12)C1=CC=CS1 HMDB0060763
OC1N=C(C2=CC=CC=C2)C2=C(C=CC(Cl)=C2)N2C=NN=C12 HMDB0060764
CC(N)CC1=CC=C(O)C=C1 HMDB0060765
CNCC[C@@H](OC1=CC=C(O)C=C1C)C1=CC=CC=C1 HMDB0060766
CNC(C)CC1=CC=C(O)C=C1 HMDB0060767
OCC1=CNN=C1 HMDB0060768
O[C@@H]1[C@@H](O)C(OC2=CC=C(C=C2)C2(NC(=O)NC2=O)C2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O HMDB0060769
CC1=CC(CC(O)=O)=C(NC2=C(F)C(C(O)=O)=C(O)C=C2Cl)C=C1 HMDB0060770
CN1C2=C(C=C(Cl)C=C2)N(C2=CC=C(O)C=C2)C(=O)CC1=O HMDB0060771
CC(C(O)=O)C1=CC(OC2=CC=C(O[C@@H]3[C@@H](O)C(O)O[C@@H]([C@H]3O)C(O)=O)C=C2)=CC=C1 HMDB0060772
COC1=CC(O)=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2 HMDB0060773
OC[C@H]1O[C@@H](C[C@@H]1O)N1C=C(C(O)=O)C(O)=NC1=O HMDB0060774
CC1=CC(CC(O)=O)=C(NC2=C(Cl)C=CC(C(O)=O)=C2F)C=C1 HMDB0060775
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CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=CS1=O HMDB0060924
CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC2OC2S1 HMDB0060925
CC1=N(=O)C=C(C=C1)C1=C(C=C(Cl)C=N1)C1=CC=C(C=C1)S(C)(=O)=O HMDB0060926
CC1=CC(CC(O)=O)=C(NC2=C(Cl)C=C(O)C=C2F)C=C1 HMDB0060927
[H][C@]12CC3=C4C(O[C@@H]5[C@@]4(CCN1CC1CC1)[C@@]21CC[C@@]5(OC)[C@H](C1)[C@@](C)(O)C(C)(C)C)=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3 HMDB0060928
[H][C@@]12CC3=C4C(O[C@H]5[C@H]([O-])CC[C@@H]1[C@@]45CCN2C)=C([O-])C=C3 HMDB0060929
[H][C@]12CC3=C4C(O[C@@H]5C(=O)CC[C@H]1[C@]45CCN2C)=C(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3 HMDB0060930
CCC1=[N+](C)C(C)CC1(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0060931
CCCC1=NN(C)C2=C1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCNCC1 HMDB0060932
CC(C)C1=CC=CC(C(C)C)=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O HMDB0060933
CC1=CN=C(C=N1)C(O)=NCCC1=CC=C(C=C1)S(=O)(=O)NC(O)=N[C@H]1CCC[C@@H](O)C1 HMDB0060934
CC1=CN=C(C=N1)C(O)=NCCC1=CC=C(C=C1)S(=O)(=O)NC(O)=N[C@H]1CC[C@H](O)CC1 HMDB0060935
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COC1=C(C=C(Cl)C=C1)C(O)=NCCC1=CC=C(C=C1)S(=O)(=O)NC(O)=N[C@@H]1CC[C@H](O)CC1 HMDB0060937
COC1=C(C=C(Cl)C=C1)C(O)=NCCC1=CC=C(C=C1)S(=O)(=O)NC(O)=N[C@H]1CC[C@H](O)CC1 HMDB0060938
COC1=C(C=C(Cl)C=C1)C(O)=NCCC1=CC=C(C=C1)S(=O)(=O)NC(O)=N[C@@H]1CCC[C@@H](O)C1 HMDB0060939
COC1=C(C=C(Cl)C=C1)C(O)=NCCC1=CC=C(C=C1)S(=O)(=O)NC(O)=N[C@@H]1CCC[C@H](O)C1 HMDB0060940
CC(C)C1=C(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)C(=NC(=N1)N(C)S(C)(=O)=O)C1=CC=C(F)C=C1 HMDB0060941
CC(C)C1=C(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)C(=NC(NS(C)(=O)=O)=N1)C1=CC=C(F)C=C1 HMDB0060942
O=C1C(CCSC2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1 HMDB0060943
O=C1C(CCS(=O)(=O)C2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1 HMDB0060944
C\C(O)=C(\C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F HMDB0060945
CC(=O)N=C1C=CC(=O)C=C1 HMDB0060946
CNCCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2 HMDB0060947
CNCCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12 HMDB0060948
CC(C)(O)C(O)=NC1=CC(=C(C=C1)N(=O)=O)C(F)(F)F HMDB0060949
NCCO\N=C(/CCCC(O)=O)C1=CC=C(C=C1)C(F)(F)F HMDB0060950
OC(=O)CCC(=O)C1=CC(F)=C(F)C=C1 HMDB0060951
CN(C)CCCN1C2=CC=CC=C2CCC2=CC(O)=CC=C12 HMDB0060952
CC(N)COC1=C(C)C=CC=C1CO HMDB0060953
CC(N)COC1=C(C)C=C(O)C=C1C HMDB0060954
CN1(=O)CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1 HMDB0060955
C1CN2C(CN1)C1=CC=CC=C1CC1=C2N=CC=C1 HMDB0060956
CN1CCN2C(C1)C1=CC=CC=C1CC1=CC(O)=CN=C21 HMDB0060957
CN1CCN(CC1)C1=NC2=C(NC3=C1C=C(C)S3)C=CC(O)=C2 HMDB0060958
CC1=CC2=C(NC3=CC=CC=C3N=C2N2CCNCC2)S1 HMDB0060959
NCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1 HMDB0060960
NCC(O)COC1=CC=CC2=CC=CC=C12 HMDB0060961
CCCN1CCCC[C@@H]1C(O)=NC1=C(C)C=CC(O)=C1C HMDB0060962
OC1CCCC2=C1C(=N)C1=CC=CC=C1N2 HMDB0060963
ClC1=C(NC2=NCCN2)C2=NSN=C2C=C1 HMDB0060964
NCCC1=CNC2=C1C=C(C[C@@H]1COC(O)=N1)C=C2 HMDB0060966
CC[C@]1(N=C(O)N=C1O)C1=CC=CC=C1 HMDB0060967
CCC1(NC(=O)N(C)C1=O)C1=CC=C(O)C=C1 HMDB0060968
NCC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12 HMDB0060969
OC1=NC2=C(C=C(Cl)C=C2)N(C2=CC=CC=C2)C(=O)C1 HMDB0060970
CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC(O)=CC=C2N1 HMDB0060971
OC1=NC(C(O)=N1)(C1=CC=CC=C1)C1=CC=C(O)C=C1 HMDB0060972
CC(=O)[C@@H]1CCC2C3C[C@H](O)C4=CC(=O)CC[C@@]4(C)C3CC[C@@]12C HMDB0060973
CC1(C)NC(=N)NC(=N)N1C1=CC=C(Cl)C=C1 HMDB0060974
OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2 HMDB0060975
CCNCC1=C(O)C=CC(NC2=C3C=CC(Cl)=CC3=NC=C2)=C1 HMDB0060977
CCOC1=C(C=CC(CC(O)=NC(CC(C)C)C2=CC=CC=C2N2CCCC(O)C2)=C1)C(O)=O HMDB0060979
OC1=NC(=O)SC1CC1=CC=C(OCCNC2=CC=CC=N2)C=C1 HMDB0060980
CN(CCOC1=CC=C(CC2SC(=O)N=C2O)C=C1)C1=NC=C(O)C=C1 HMDB0060981
CC(C)N=C(O)NS(=O)(=O)C1=CNC=CC1=NC1=CC=CC(CO)=C1 HMDB0060982
CN1(=O)CCN(CC1)C(=O)OC1N(C(=O)C2=C1N=CC=N2)C1=NC=C(Cl)C=C1 HMDB0060983
NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NO)C=C1 HMDB0060984
CC1=CC(NS(=O)(=O)C2=CC=C(NO)C=C2)=NO1 HMDB0060985
COC1=C(CC2=CN(CO)C3=C2C=C(NC(=O)OC2CCCC2)C=C3)C=CC(=C1)C(=O)NS(=O)(=O)C1=CC=CC=C1C HMDB0060986
CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(CO)S2 HMDB0060987
CCCNCC(O)COC1=C(C=C(O)C=C1)C(=O)CCC1=CC=CC=C1 HMDB0060988
CC(C)NCC(O)COC1=CC=C(O)C2=CC=CC=C12 HMDB0060989
CC(C)(C)NCC(O)COC1=C2CCC(O)=NC2=C(O)C=C1 HMDB0060990
CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=C(O)C=C2 HMDB0060991
CNCCCN1C2=CC=CC=C2CCC2=CC(O)=CC=C12 HMDB0060992
NCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21 HMDB0060993
COCC(O)C1=CC=C(OCC(O)CNC(C)C)C=C1 HMDB0060994
COC12C[C@@H](CO)CN(C)C1CC1=CNC3=CC=CC2=C13 HMDB0060995
CCN(CC)CCN=C(O)C1=CC(O)=C(C=C1)N=C(C)O HMDB0060996
CN(C)CC1CCCCC1(O)C1=CC(O)=CC=C1 HMDB0060997
OC1=NC2=C(O1)C=C(O)C(Cl)=C2 HMDB0060998
CC12CCC3C(CCC4=C3C=CC(O)=C4O)C1CCC2O HMDB0060999
FC1=CC=C(C=C1)C(=O)CCCN1C=CC(C=C1)=C1C=CC(=[Cl+])C=C1 HMDB0061000
NC1CCC(C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12 HMDB0061002
CSN1C2=CC=CC=C2N=C1C1=NC=CC(OCC(F)(F)F)=C1C HMDB0061003
CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C HMDB0061004
CCOC1=C(C=CC(CC(O)=NC(CC(C)C)C2=CC=CC=C2N)=C1)C(O)=O HMDB0061005
CCC(=O)N(C1CCNCC1)C1=CC=CC=C1 HMDB0061006
CNCC1CCCCC1(O)C1=CC(OC)=CC=C1 HMDB0061007
ClC1=CC(=CC=C1)N1CCNCC1 HMDB0061008
CC1=C(N)C(C)=C(C(=C1N(=O)=O)C(C)(C)C)N(=O)=O HMDB0061009
CCC(=O)N(C1=CC=CC=C1)C1(COC)CCNCC1 HMDB0061010
CNCCC1=CNC2=C1C=C(CS(=O)(=O)N1CCCC1)C=C2 HMDB0061011
C[C@@H](O[C@H]1OCCN[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F HMDB0061012
OC1=CC=C(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2=CC=C(F)C=C2)C=C1 HMDB0061013
CC(C)C1=C(C(=O)NC2=CC=C(O)C=C2)C(=C(N1CCC(O)CC(O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 HMDB0061014
CC(C)C1=C(C(O)=NC2=CC=CC=C2O)C(=C(N1CCC(O)CC(O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1 HMDB0061015
C[C@@]12C[C@@H](O)C3C(CCC4=CC(=O)C=C[C@@]34C)C1C[C@H](O)[C@@]2(O)C(=O)CO HMDB0061016
C1CN(CCN1)C1=NC=CC=N1 HMDB0061017
CO[C@H]1CNCC[C@H]1N=C(O)C1=C(OC)C=C(N)C(Cl)=C1 HMDB0061018
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]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@H](OC(=O)[C@@H]2C)C(C)O)OC)O[C@@H](C)[C@@H]1O HMDB0061019
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)C(C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](NC)[C@@H]2O)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC HMDB0061020
CS(=O)(=O)NC1=CC=C2NC(=CC2=C1)C(=O)N1CCN(CC1)C1=C(N)C=CC=N1 HMDB0061021
C[C@@H]1CC2C3C[C@@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO HMDB0061022
CNCCN1C2=CC=CC=C2SC([C@@H](OC(C)=O)C1=O)C1=CC=C(OC)C=C1 HMDB0061023
CC(C)NCCC(C(O)=N)(C1=CC=CC=C1)C1=CC=CC=N1 HMDB0061024
OC1=NC2=C(C=CC(Cl)=C2)N1C1CCNCC1 HMDB0061025
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](N)[C@@H]2O)[C@@](C)(O)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@@]1(C)O HMDB0061026
CC12CCC3C(CCC4=CC(O)=C(O)C=C34)C1CC[C@@]2(O)C#C HMDB0061027
COC1=CC(=CC(O)=C1O)[C@@H]1C2C(COC2=O)[C@@H](OC2OC3CO[C@@H](C)OC3[C@H](O)[C@H]2O)C2=CC3=C(OCO3)C=C12 HMDB0061028
CCOC(=O)C1=C(C)N=C(C)C(C(=O)OC)=C1C1=C(Cl)C(Cl)=CC=C1 HMDB0061029
CC(C)(O)N=C(O)C1CCC2C3CCC4N=C(O)C=CC4(C)C3CCC12C HMDB0061030
COC1=C(C=C(Cl)C=C1)C(O)=NCCC1=CC=C(C=C1)S(=O)(=O)NC(O)=N[C@H]1CC[C@H](O)CC1 HMDB0061031
CCCCNCCC(O)C1=C2C=CC(=CC2=C2C=C(Cl)C=C(Cl)C2=C1)C(F)(F)F HMDB0061032
C[C@]12C[C@H](O)C3C(C[C@@H](O)C4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO HMDB0061033
CC(C)(C)N=C(O)[C@H]1CNCCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(O)=N[C@H]1[C@@H](O)CC2=CC=CC=C12 HMDB0061034
CC(O)C(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OCC2COC(CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1 HMDB0061035
CCC(OC(C)=O)C(CC(C)NC)(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0061036
OC(C1=CC=C(C=C1)C#N)C1=CC=C(C=C1)C#N HMDB0061037
OC(=O)CS(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0061039
CC(O)C1=NN(CCCN2CCN(CC2)C2=CC=CC(Cl)=C2)C(=O)N1CCOC1=CC=CC=C1 HMDB0061040
COC(=O)C1=C(C2=CC=CC=C2N(=O)=O)C(C(=O)OC)=C(C)N=C1C HMDB0061041
CCNCC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1 HMDB0061042
CC(C)CN1CCC2(CC1)NC1=C3N=C(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](O)\C=C/O[C@@]4(C)OC5=C(C4=O)C(C1=N2)=C(C(O)=C5C)C3=O HMDB0061043
CC(C)[C@H](NC(=O)N(C)CC1=CSC(=N1)C(C)(C)O)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CN=CS1)CC1=CC=CC=C1 HMDB0061044
OCC1=C(O)C=CC(=C1)C(O)CNCCCCCCOCCCC(O)C1=CC=CC=C1 HMDB0061045
CN=C(O)C(O)C1=CC2=C(C=CN2C2CCN(CCC3=CC=CC=C3F)CC2)C(O)=C1 HMDB0061046
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12 HMDB0061047
[H][C@@]12CC[C@@H](C)C(O)(O1)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CC(=O)[C@@H](C)\C=C(C)/[C@@H](O)[C@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C/C=C\C=C(C)/[C@H](C2)OC)[C@H](C)C[C@H]1CC[C@H](O)[C@@H](O)C1 HMDB0061048
[H][C@]12OC(O)(C(C)CC1OC)C(=O)C(=O)N1CCCCC1C(=O)OC(C(C)C(O)CC(=O)C(CC=C)\C=C(C)/CC(C)C[C@@H]2OC)C(\C)=C\C1CC[C@H](O)C(O)C1 HMDB0061049
CNCCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1 HMDB0061051
CC1=NN=C2C(O)N=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N12 HMDB0061052
OCC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N12 HMDB0061053
[H][C@]12CN(C[C@](O)(CC)C1)CCC1=C(NC3=CC=CC=C13)[C@@](C2)(C(=O)OC)C1=C(OC)C=C2N(C)[C@@H]3C4(CCN5CC=C[C@](CC)([C@@H]45)[C@@H](O)[C@]3(O)C(=O)OC)C2=C1 HMDB0061054
CCNC1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C#N HMDB0061055
C1CN(CCN1)C1=NSC2=C1C=CC=C2 HMDB0061056
[H][C@]12CN(C[C@](O)(CC)C1)CCC1=C(NC3=CC=CC=C13)[C@@](C2)(C(=O)OC)C1=C(OC)C=C2N(C)[C@@H]3C4(CCN5CC=C[C@](CC)([C@@H]45)[C@@H](O)[C@]3(O)C(=O)OC)C2=C1 HMDB0061057
OC(=O)CCN1N=C2C=CC=CN2C1=O HMDB0061058
ClC1=CC(=CC=C1)N1CCN(CCCN2N=C3C4OC4C=CN3C2=O)CC1 HMDB0061059
OC1=C(Cl)C=C(C=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1 HMDB0061060
[H][C@]12CCC[C@]([H])(C[C@@H](C1)NC(=O)C1=NNC3=CC=CC=C13)N2C HMDB0061061
[H][C@]12CCC[C@@]([H])(CC(C1)N=C(O)C1=NN(C)C3=C1C=CC=C3O)N2C HMDB0061062
CC(=O)[C@@]1(O)CCC2C3C[C@@](C)(O)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C HMDB0061063
C[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)C[C@H](O)C(=O)C=C12 HMDB0061064
C[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)[C@H](O)CC(=O)C=C12 HMDB0061065
OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N1[CH]NC2=C1NC(=N)N=C2O HMDB0061067
CN1C=NC(=C1[S+](C)C1=NC=NC2=C1N=CN2)N(=O)=O HMDB0061068
NC1=C2N=CN([C@H]3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3F)C2=NC(Cl)=N1 HMDB0061069
[H][C@]12CC3=C4C(O[C@@H]5C(=O)CC[C@H]1[C@]45CCN2)=C(OC)C=C3 HMDB0061070
CCCOC1=C(C=C(C=C1)S(N)(=O)=O)C1=NC2=C(N(C)N=C2CCC)C(=O)N1 HMDB0061071
CN1(=O)CCN(CC1)C(=O)OC1N(C(=O)C2=C1N=CC=N2)C1=NC=C(Cl)C=C1 HMDB0061072
[H][C@@]12CC3=C4C(O[C@H]5C(=O)CC[C@]1(O)[C@@]45CCN2)=C(O)C=C3 HMDB0061073
[H][C@@]12CC3=C4C(O[C@H]5[C@@H](O)CC[C@]1(O)[C@@]45CCN2)=C(OC)C=C3 HMDB0061074
[H]C12CC3=C4C(O[C@H]5[C@H](O)CC[C@]1(O)[C@@]45CCN2)=C(OC)C=C3 HMDB0061075
[H][C@@]12CC3=C4C(O[C@H]5[C@H](O)CC[C@]1(O)[C@@]45CCN2C)=C(O)C=C3 HMDB0061076
[H]C12CC3=C4C(O[C@H]5[C@@H](O)CC[C@]1(O)[C@@]45CCN2C)=C(OC)C=C3 HMDB0061077
[H]C12CC3=C4C(O[C@H]5[C@H](O)CC[C@]1(O)[C@@]45CCN2C)=C(OC)C=C3 HMDB0061078
C[C@@H]1O[C@@]2(CS1)CN1CCC2CC1 HMDB0061079
C[C@H]1O[C@@]2(CS1)CN1CCC2CC1 HMDB0061080
C[C@@H]1O[C@@]2(CS1)CN1CCC2CC1 HMDB0061081
CCC1(C)OC(=O)N=C1O HMDB0061082
CCCCNCC(O)C1=CC(Cl)=CC2=C1C1=C(C=C(Cl)C=C1)\C2=C\C1=CC=C(Cl)C=C1 HMDB0061083
CNCCOC1=CC=C(C=C1)C(=C(\[C@@H](C)O)C1=CC=CC=C1)\C1=CC=CC=C1 HMDB0061085
CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN)C=C1)C1=CC=CC=C1 HMDB0061086
CC\C(=C(\C1=CC=C(OCCN(C)C)C=C1)C1=CC(O)=C(O)C=C1)C1=CC=CC=C1 HMDB0061087
C[C@H]1CCC2[C@H](C)[C@H](O)O[C@H]3OC4(C)CC[C@H]1[C@]23OO4 HMDB0061088
OCC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12 HMDB0061089
CC1=NC=C2C(O)N=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12 HMDB0061090
COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(CO)C(OC)=C1C HMDB0061091
C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(O)=O HMDB0061092
CC1(C)OC(=O)N=C1O HMDB0061093
C\C(\C=C\C1=C(CO)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O HMDB0061095
NC(=N)N=C(O)CC1=C(Cl)C(O)=CC(O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)=C1Cl HMDB0061096
C[C@@]12CCC3C(CCC4=CC(O)=CC=C34)C1CC[C@]2(O)C#C HMDB0061097
COC1=C(OC)C=C2C3C[C@@H](O)[C@@H](CC(C)C)CN3CCC2=C1 HMDB0061098
[H]C12CC3(O)CC(O)(C1)CC(C2)(C3)[C@H](N)C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C#N HMDB0061099
CC(=O)OCC(CCN1C=NC2=C1NC(=N)N=C2O)COC(C)=O HMDB0061100
BrC1=C(NC2=NCCN2)C=CC2=C1N=CC(=O)N2 HMDB0061101
OC1=NC2=C(NC1)C=CC(NC1=NCCN1)=C2Br HMDB0061102
O[C@@H]1[C@@H](O)[C@@H](C[C@@H]([C@H]1O)C(O)=O)N1N=C(C(=[NH2+])[N-]C1=[NH2+])C1=C(Cl)C(Cl)=CC=C1 HMDB0061103
CN(CC1=NC2=C(N)NC(=N)NC2=NC1=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O HMDB0061104
CN(CCOC1=CC=C(CC2SC(=O)N=C2O)C=C1)C1=C(O)C=CC=N1 HMDB0061105
CCCC1OC2CC3C4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)C4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO HMDB0061106
O=C1CC2(CCCC2)CC(=O)N1CCCCN1(=O)CCN(CC1)C1=NC=CC=N1 HMDB0061107
OC1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)C1=NC=CC=N1)C(=O)C2 HMDB0061108
OC1=CN=C(N=C1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1 HMDB0061109
OC1C(=O)N(CCCCN2CCN(CC2)C2=NC=CC=N2)C(=O)CC11CCCC1 HMDB0061110
NC1=C(OS(O)(=O)=O)C=NC=C1 HMDB0061120
OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2 HMDB0061121
CC(C)NCC(O)COC1=CC=C(O)C=C1CC=C HMDB0061122
CC\C(=C(/C1=CC=C(OCCN(C)C)C=C1)C1=CC=C(OS(O)(=O)=O)C=C1)C1=CC=CC=C1 HMDB0061123
CC\C(=C(\C1=CC=C(O)C=C1)C1=CC=C(OCCNOC2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)C=C1)C1=CC=CC=C1 HMDB0061124
CC\C(=C(/C1=CC=C(OCCN(C)C)C=C1)C1=CC=C(OC2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)C=C1)C1=CC=CC=C1 HMDB0061125
C[C@]12CCC3C([C@H]4C[C@H]4C4CC(CC[C@]34C)S(O)(=O)=O)C1[C@@H]1C[C@@H]1C21CCC(=O)O1 HMDB0061126
[H][C@]12CCN(CC1)CC2OC(=O)N1C[C@H](O)C2=C(C=CC=C2)[C@@H]1C1=CC=CC=C1 HMDB0061127
[H]C(CCNC)(OC1=C2C=CC(OC)=C(OS(O)(=O)=O)C2=CC=C1)C1=CC=CO1 HMDB0061128
COC1=CC(C)=C(Cl)C2=C1C(=O)[C@]1(O2)[C@H](C)CC(=O)C=C1OC HMDB0061129
CC1=CC=NC2=C1NC(=O)C1=C(N=CC(O[C@H]3O[C@H]([C@H](O)[C@@H](O)[C@@H]3O)C(O)=O)=C1)N2C1CC1 HMDB0061130
CCCCNCC(O)COC1=C(Cl)C=CC(=C1)C(O)=O HMDB0061131
NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(OC2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)C=C1)C(F)(F)F HMDB0061132
CC(COC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)\N=C1/C=C2N(C3=CC=C(Cl)C=C3)C3=C(C=CC=C3)N=C2C=C1NC1=CC=C(Cl)C=C1 HMDB0061133
NCCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2 HMDB0061134
CNCCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2 HMDB0061135
COC1=C(O)C2=C(NC=C2CCNC(C)=O)C=C1O HMDB0061136
[H][C@@]12CC3=C4C(O[C@H]5[C@@H](CC[C@]1([H])[C@@]45CCN2C)O[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O)=C(O)C=C3 HMDB0061137
CCC(OC(C)=O)C(CC(C)N)(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0061138
C[N+](C)(CC\C=C1/C2=C(COC3=C1C=CC=C3)C=CC=C2)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O HMDB0061139
CC\C(=C(\C1=CC=C(OCCNC)C=C1)C1=CC=C(OS(O)(=O)=O)C=C1)C1=CC=CC=C1 HMDB0061140
CC(C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC=CC(OC2=CC=CC=C2)=C1 HMDB0061142
C\C(=N/NC1=NN=CC2=CC=CC=C12)C(O)=O HMDB0061143
[H][C@@]12CC3=C4C(O[C@H]5C(=O)CC[C@]1([H])[C@@]45CCN2C)=C(OC1OC(CO)C(O)C(O)C1O)C=C3 HMDB0061144
COC[C@@H](NCC(O)=O)C(=O)NCC1=CC=C(O)C=C1 HMDB0061146
CN(C)CCCN1C2=C(CCC3=C1C=CC=C3O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=CC(Cl)=C2 HMDB0061147
NCC(=O)OCCO HMDB0061148
[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C HMDB0061149
CNC1CCC2NC3=C(O)C=C(C=C3C2C1)C(N)=O HMDB0061150
CC(=O)NC1CCC2NC3=C(O)C=C(C=C3C2C1)C(N)=O HMDB0061151
CCC1=C(CC)C=C2CC(CC2=C1)NCC(O)C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C2=C1C=CC(=O)N2 HMDB0061152
CC1CN(CCC2=C1C=C(Cl)C=C2)S(O)(=O)=O HMDB0061153
[H][C@]1(O[C@H]1CC1CC[C@@H](C\C(C)=C\C(O)=O)[C@H](O)[C@@H]1O)[C@@H](C)C(C)O HMDB0061154
OC1CCC(CC1)C(CC1CCCCN1)C1CCCCC1 HMDB0061155
OC(=O)CN1CCOCC1 HMDB0061156
OCCON1CCOCC1 HMDB0061157
CC(=O)NC1CCC2NC3=CC=C(C=C3C2C1)C(N)=O HMDB0061158
C[C@H]1[C@H](C)C(OC(=O)N2CCC3=C(C=C(Cl)C=C3)C(C)C2)O[C@H]([C@@H]1C)C(O)=O HMDB0061159
NCCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2 HMDB0061160
FC1=CC=CC=C1C1=NCC(=O)NC2=C1C=C(Cl)C=C2 HMDB0061161
O=NC1CCNCC1 HMDB0061162
OC1CCN(C1)N=O HMDB0061163
[H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1OC)C3=O)C(=O)CO)O[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O1 HMDB0061164
CC1=C(C=CC=C1)C(OCCN)C1=CC=CC=C1 HMDB0061165
COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1 HMDB0061166
CNCC(C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C1(O)CCCCC1 HMDB0061167
CNCC1=NC(CSCCN\C(NC)=C\[N+]([O-])=O)=CS1 HMDB0061168
CCC(OC(C)=O)C(CC(C)NC)(C1=CC=CC=C1)C1=CC=CC=C1 HMDB0061169
O[C@@H]1[C@@H](O)C(ONCCC(OC2=CC=C(C=C2)C(F)(F)F)C2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O HMDB0061170
NCC(C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C1(O)CCCCC1 HMDB0061172
NS(=O)(=O)C1=CC=C(Cl)C=C1 HMDB0061173
CCN1C(=O)NC(C1=O)C1=CC=C(O)C=C1 HMDB0061174
OC1=CC=C(C=C1)C1=NCC(=O)NC2=CC=C(Cl)C=C12 HMDB0061175
[Br-].CC(C)[N+]1(C)[C@@H]2CC[C@@H]1CC(C2)OC(=O)C(COC(=O)C1=CC=CC=C1)C1=CC=CC=C1 HMDB0061176
O[C@H]1[C@H](O)[C@@H](O[N+]2=CC=CC=C2)O[C@H]([C@@H]1O)C(O)=O HMDB0061177
[H][C@@]12C[C@]3([H])N(C(=O)[C@H](C)N([C@H](CCC4=CC=CC=C4)C(=O)OCC)C3=O)[C@@]1([H])CCCC2 HMDB0061178