MonarchInit/C3PO huggingface dataset:
Compound: 2,10-dihydroxy-4,6,8-decatriynoic acid
SMILES: OC(CC#CC#CC#CCO)C(O)=O
Compound: CDP-DG(a-13:0/20:3(8Z,11Z,14Z)-2OH(5,6))
SMILES: P(OC[C@H]1O[C@@H](N2C=CC(=NC2=O)N)[C@H](O)[C@@H]1O)(OP(OC[C@H](OC(=O)CCCC(O)C(O)C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC(CC)C)(O)=O)(O)=O
Compound: ps(o-20:0/22:1(11z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COCCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: Sialorphin
SMILES: O=C(N1[C@@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)CCC(O)=O)CC=2NC=NC2)CC(O)=O
Compound: N-[2-(3,5-Dioxopiperazino)propyl]-N-(2-amino-2-oxoethyl)glycine
SMILES: O=C1NC(=O)CN(C(CN(CC(=O)N)CC(O)=O)C)C1
Compound: Lotrafiban
SMILES: O=C(N1CCC(C2CCNCC2)CC1)C3=CC4=C(N[C@H](C(=O)N(C4)C)CC(O)=O)C=C3
Compound: Ethyl methylphosphonofluoridate
SMILES: P(F)(OCC)(=O)C
Compound: (3s)-3-(Benzyloxy)-L-Aspartic Acid
SMILES: O([C@@H]([C@H](N)C(O)=O)C(O)=O)CC1=CC=CC=C1
Compound: 2-[4,7,10-Tris(carboxymethyl)-6-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
SMILES: OC(=O)CN1C(CN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O)CCCCNC(=O)CCN2C(=O)C=CC2=O
Compound: PA(20:4(5Z,8Z,11Z,14Z)/15:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)(O)=O
Compound: (Z)-6-Tetradecene-1,3-diyne-5,8-diol
SMILES: OC(CCCCCC)/C=C\C(O)C#CC#C
Compound: Cfp-aaf-pab
SMILES: OC(=O)C(N[C@H](C(=O)N[C@H](C(=O)NC(=O)[C@@H](NC1=CC=C(C=C1)C(O)=O)CC2=CC=CC=C2)C)C)CCC3=CC=CC=C3
Compound: CDP-DG(20:2(11Z,14Z)/PGF1alpha)
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C\[C@@H](O)CCCCC)CCCCCCC(O[C@@H](COP(O1)(O)=O)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)=O)(O)=O
Compound: 2-Methoxyestriol
SMILES: O[C@@H]1[C@@]2([C@H]([C@H]3[C@H](CC2)C=4C(CC3)=CC(O)=C(OC)C4)C[C@H]1O)C
Compound: AB-Fubinaca
SMILES: FC1=CC=C(CN2N=C(C=3C2=CC=CC3)C(=O)N[C@@H](C(C)C)C(=O)N)C=C1
Compound: (2S)-2-Amino-3-[4-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyphenyl]propanoic acid
SMILES: S(CCC(N)C(OC1=CC=C(CC(N)C(O)=O)C=C1)=O)C
Compound: CDP-DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/20:2(11Z,14Z))
SMILES: P(OC[C@H]1O[C@@H](N2C=CC(=NC2=O)N)[C@H](O)[C@@H]1O)(OP(OC[C@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCC[C@H](O)[C@@H](O)/C=C\C=C/C=C/C=C/[C@H](O)C/C=C\CC)(O)=O)(O)=O
Compound: 17-Ethynyl-16-fluoroestradiol
SMILES: F[C@H]1[C@](O)([C@@]2([C@H]([C@H]3[C@H](CC2)C4=C(CC3)C=C(O)C=C4)C1)C)C#C
Compound: PA(14:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
SMILES: P(OC[C@H](OC(=O)CCC[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(O)(O)=O
Compound: Milacemide
SMILES: O=C(N)CNCCCCC
Compound: Atipamezole
SMILES: N1C(C2(CC=3C(C2)=CC=CC3)CC)=CN=C1
Compound: 3alpha-Hydroxytibolone
SMILES: O[C@@]1([C@@]2([C@H]([C@H]3[C@H](CC2)C4=C(C[C@H]3C)C[C@H](O)CC4)CC1)C)C#C
Compound: Myotoxin A
SMILES: O1C2(C3(C45C(OC2CC3OC(=O)C=CC=CC(OCC(O)C(=CC(OC4)=O)C)C(O)C)C=C(CC5)C)C)C1
Compound: 14-Fluoro-6-thiaheptadecanoic acid
SMILES: S(CCCCCCCC(F)CCC)CCCCC(O)=O
Compound: 6-Methoxyflavanone
SMILES: O1C(CC(=O)C2=C1C=CC(OC)=C2)C3=CC=CC=C3
Compound: Dexanabinol
SMILES: O1C([C@@H]2[C@H](CC(=CC2)CO)C=3C1=CC(C(CCCCCC)(C)C)=CC3O)(C)C
Compound: PA(6 keto-PGF1alpha/14:1(9Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCC(=O)C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)(O)(O)=O
Compound: PI(16:0/PGJ2)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CC=CCCCC(O[C@@H](CO1)COC(=O)CCCCCCCCCCCCCCC)=O)C=CC(=O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: Indole-3-acetic acid sodium salt
SMILES: [Na+].[O-]C(=O)CC=1C=2C(NC1)=CC=CC2
Compound: PG(a-21:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))
SMILES: P(OC[C@H](OC(=O)CCC[C@@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCC(CC)C)(OC[C@@H](O)CO)(O)=O
Compound: 2-PROPYL-3-HYDROXYETHYLENEPYRAN-4-ONE
SMILES: O1C(CCC)=C(C(=O)C=C1)/C=C/O
Compound: PA(17:0/PGJ2)
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C[C@@H]1[C@H](C(=O)C=C1)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCC)(O)(O)=O
Compound: (1R,7S,13S,15S)-2,15-Dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
SMILES: OC1CC2C(C1)C=CCCCC(OC(=O)C=CC2O)C
Compound: Araliasaponin III
SMILES: O(C1C(C2C(C3C(C4(C(C5C(C(O)C4)(CCC(C5)(C)C)C(OC6OC(C(O)C(O)C6O)CO)=O)=CC3)C)(CC2)C)(CC1)C)(C)C)C7OCC(O)C(OC8OC(C(O)C(OC9OC(C(O)C(O)C9O)CO)C8O)CO)C7O
Compound: Pegvaliase
SMILES: O(CCCCCC(=O)NCCCC[C@H](N)C(O)=O)CCOC
Compound: H-Arg(NO2)-Obzl
SMILES: O(C(=O)[C@@H](N)CCC/N=C(/N[N+]([O-])=O)\N)CC1=CC=CC=C1
Compound: Flutroline
SMILES: FC1=CC=2C3=C(N(C2C=C1)C4=CC=C(F)C=C4)CCN(C3)CCCC(O)C5=CC=C(F)C=C5
Compound: 2-Hydroxycampholonic acid
SMILES: OC1(C(C(CC1=O)CC(O)=O)(C)C)C
Compound: (+)-8-Acetoxycarvone
SMILES: O([C@]1(CC(=O)C(=CC1)C)C(C)=C)C(=O)C
Compound: 2,5-Diamino-2-methylpentanoic acid
SMILES: OC(=O)C(N)(CCCN)C
Compound: 3-[2-(6-Methyl-2-pyridinyl)ethynyl]-2-cyclohexene-1-one O-methyloxime
SMILES: O(/N=C\1/CCCC(=C1)C#CC=2N=C(C=CC2)C)C
Compound: Imidazolone A
SMILES: OC(CC1N\C(\NC1=O)=N\CCCC(N)C(O)=O)C(O)CO
Compound: PG(20:3(8Z,11Z,14Z)-O(5,6)/18:2(9Z,11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCC\C=C/C=C\CCCCCC)COC(=O)CCCC1OC1C/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: (Phe2,Orn8)-oxytocin
SMILES: S1SC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@@H](CCC2)C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)C1)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3
Compound: 3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid
SMILES: O[C@@H]1[C@]2([C@H]([C@H]3[C@@H]([C@@]4([C@H](C[C@H]3O)[C@@H](O)[C@@H](O)CC4)C)C1)CC[C@@H]2[C@@H](CCC(O)=O)C)C
Compound: Tomatoside A
SMILES: O1[C@@H]2[C@@H]([C@@]3([C@H]([C@H]4[C@@H]([C@@]5([C@@H](CC4)C[C@@H](O[C@@H]6O[C@@H]([C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)CO)[C@H](O)[C@H]6O)CO)CC5)C)CC3)C2)C)[C@@H]([C@@]1(O)CC[C@@H](CO[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)C)C
Compound: 4-Fluorocyclohexane-1-carboxylic acid
SMILES: FC1CCC(CC1)C(O)=O
Compound: Capsianoside III
SMILES: O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC/C(=C\CC/C(=C/CC\C(=C\CCC(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)CO)(C)C=C)\C)/C)/C)CO)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C
Compound: Cyclo(Arg-Gly-Asp-D-Phe-Val)
SMILES: O=C1N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H]1C(C)C)CC2=CC=CC=C2)CC(O)=O
Compound: Cyclosquamosin D
SMILES: O=C1N2C(CCC2)C(=O)NCC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC1CC3=CC=C(O)C=C3)CC4=CC=C(O)C=C4)CO
Compound: [3-(2-Aminopropyl)-6-methylidenecyclohexa-1,3-dien-1-yl]methanediol
SMILES: OC(O)C1=CC(CC(N)C)=CCC1=C
Compound: PA(20:0/PGJ2)
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C[C@@H]1[C@H](C(=O)C=C1)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: (Z)-5-[(2R,3S,4S)-4-Hydroxy-2-[(E)-3-hydroxyoct-1-enyl]oxan-3-yl]pent-3-enoic acid
SMILES: O1[C@@H]([C@H]([C@@H](O)CC1)C/C=C\CC(O)=O)/C=C/C(O)CCCCC
Compound: 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl acetate
SMILES: OC1(C2(C(C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)CC1)C)C(=O)COC(=O)C
Compound: DG(2:0/PGE2/0:0)
SMILES: O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCC(O[C@H](COC(=O)C)CO)=O)/C=C/[C@@H](O)CCCCC
Compound: (S)-3-(Azetidin-2-ylmethoxy)pyridine
SMILES: O(C[C@H]1NCC1)C=2C=CC=NC2
Compound: Antofloxacin
SMILES: FC1=C(N2CCN(CC2)C)C=3OC[C@@H](N4C3C(=C1N)C(=O)C(=C4)C(O)=O)C
Compound: Aplysiatoxin, 17-debromo-
SMILES: O1C23OC(O)(C(CC2(C)C)C)CC(OC(CC(OC(C3)C(C1C(CCC(OC)C4=CC(O)=CC=C4)C)C)=O)C(O)C)=O
Compound: PE(22:2(13Z,16Z)/18:1(12Z)-2OH(9,10))
SMILES: P(OC[C@H](OC(=O)CCCCCCC[C@H](O)[C@@H](O)C/C=C\CCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: CDP-DG(PGE1/i-20:0)
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@@H](CCCCCCC(OC[C@@H](OC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(O1)(O)=O)=O)C(=O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: 1,5-Dihydro-7-(1-piperidinyl)-imidazo(2,1-b)quinazolin-2(3H)-one
SMILES: O=C1NC=2N(CC=3C=C(N4CCCCC4)C=CC3N2)C1
Compound: 17-Aminogeldanamycin
SMILES: O([C@H]1C[C@@H](CC2=C(N)C(=O)C=C(NC(=O)C(=CC=C[C@H](OC)[C@@H](OC(=O)N)C(=C[C@@H]([C@H]1O)C)C)C)C2=O)C)C
Compound: 12a-HYDROXY-5-DEOXYDEHYDROMUNDUSERONE
SMILES: O1C2(O)C(C=3C(OC2)=CC(OC)=C(OC)C3)=CC4=C1C=C(OC)C=C4
Compound: H-Phe-D-met-arg-phe-NH2
SMILES: S(CC[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)C
Compound: 2-[(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]acetic acid
SMILES: OC(=O)CC1CC=2C(C3C(C4C(CC3)(C(=CC4)C=5C=CC=NC5)C)CC2)(CC1)C
Compound: SM(d16:1/5-iso PGF2VI)
SMILES: P(OC[C@H](NC(=O)C/C=C\C[C@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@H](O)CCCCC)[C@H](O)/C=C/CCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: Monoketocholic acid
SMILES: OC1C2(C(C3C(C4(C(CC3O)CC(O)CC4=O)C)C1)CCC2C(CCC(O)=O)C)C
Compound: PA(20:1(11Z)/20:3(6,8,11)-OH(5))
SMILES: P(OC[C@H](OC(=O)CCCC(O)\C=C\C=C\C\C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: MG(LTE4/0:0/0:0)
SMILES: S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC)C[C@H](N)C(OC[C@@H](O)CO)=O
Compound: PG(6 keto-PGF1alpha/20:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCC(=O)C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Mpomeovt
SMILES: S1SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)CC12CCCCC2)CC3=CC=C(OC)C=C3)[C@H](CC)C)CCC(=O)N)CC(=O)N)C(=O)N4[C@@H](CCC4)C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N
Compound: Desacetyllevonantradol
SMILES: O[C@H]1C[C@@H]2[C@@H](CC1)[C@@H](NC3=C2C(O)=CC(O[C@@H](CCCC4=CC=CC=C4)C)=C3)C
Compound: PS(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCC[C@H](O)\C=C/C=C/C=C/[C@H](O)C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: 4-Hydroxy-3-methyl-2-(2-propynyl)-2-cyclopentene-1-one
SMILES: OC1CC(=O)C(=C1C)CC#C
Compound: PIP(PGE2/22:4(10Z,13Z,16Z,19Z))
SMILES: P1(O[C@@H]2[C@H](OP(O)(O)=O)[C@H](O)[C@H]([C@H](O)CC(=O)[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CC=CCCCC(OC[C@@H](OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)CO1)=O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: Notoginsenoside A
SMILES: O[C@H]1[C@H]2[C@]([C@]3([C@@H]([C@@]4([C@@H](CC3)C([C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)CO)CC4)(C)C)C)C1)C)(CC[C@@H]2[C@@](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)(C/C=C/C(O)(C)C)C)C
Compound: PA(18:0/5-iso PGF2VI)
SMILES: P(OC[C@H](OC(=O)C/C=C\C[C@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: SM(d19:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](NC(=O)CCC[C@@H](O)[C@H](O)/C=C\C=C/C=C/C=C/[C@@H](O)C/C=C\CC)[C@H](O)\C=C\CCCCCCCCCCCCCC)([O-])=O
Compound: 3-Hydroxy-7-oxociguatoxin
SMILES: O1C2C(OC3(OCC(O)C3)C(C2C)C)C(O)C(C4OC5C(OC6C(OC7(C(OC8C(OC9C(OC%10C(OC%11CC%12OC%13C(OC(CC(=O)C%13)CC(O)C(O)CO)C(O)C%12OC%11C=C%10)C=C9)CC=CC8)CC7O)C6)C)CC(C5)C)CC14)C
Compound: PI(PGF2alpha/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)C=C[C@@H](O)CCCCC)CC=CCCCC(OC[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO1)=O)(O)=O
Compound: 1,4-Bis((p-propylphenoxy)acetyl)piperazine
SMILES: O(CC(=O)N1CCN(CC1)C(=O)COC2=CC=C(CCC)C=C2)C3=CC=C(CCC)C=C3
Compound: SM(d18:2(4E,14Z)/5-iso PGF2VI)
SMILES: P(OC[C@H](NC(=O)C/C=C\C[C@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@H](O)CCCCC)[C@H](O)/C=C/CCCCCCCC/C=C\CCC)(OCC[N+](C)(C)C)([O-])=O
Compound: Tetradeca-4,6-diene-8,10,12-triyne-1-ol
SMILES: O1C(C1/C=C/C#CC#CC#CC)CCCO
Compound: Kudzusaponin SA3
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(C(OC6OCC(O)C(O)C6O)C(O)C(C5)(C)C)C)=CC3)C)(CC2)C)(CC1)C)(CO)C)C7OC(C(O)C(O)C7OC8OC(C(O)C(O)C8OC9OC(C(O)C(O)C9O)C)CO)C(O)=O
Compound: PI(6 keto-PGF1alpha/20:2(11Z,14Z))
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CC(=O)CCCCC(OC[C@@H](OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)CO1)=O)(O)=O
Compound: SM(d17:1/PGF2alpha)
SMILES: P(OC[C@H](NC(=O)CCC\C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)[C@H](O)/C=C/CCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: PE(20:1(11Z)/20:3(8Z,11Z,14Z)-2OH(5,6))
SMILES: P(OC[C@H](OC(=O)CCCC(O)C(O)C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OCCN)(O)=O
Compound: PG(20:2(11Z,14Z)/20:3(6,8,11)-OH(5))
SMILES: P(OC[C@H](OC(=O)CCCC(O)\C=C\C=C\C\C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: (3b,6a,12b,17a,20S)-Dammar-24-ene-3,6,12,17,20-pentol 20-[glucosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside] 6-glucoside
SMILES: O(C1C2C(C3C(C4(C(C(O)(CC4)C(OC5OC(C(O)C(O)C5OC6OC(C(O)C(O)C6O)CO)COC7OC(C(O)C(O)C7O)C)(CCC=C(C)C)C)C(O)C3)C)(C1)C)(CCC(O)C2(C)C)C)C8OC(C(O)C(O)C8O)CO
Compound: PA(13:0/PGD1)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H](C(=O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCC)(O)(O)=O
Compound: PG(PGF2alpha/a-21:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC(CC)C)COC(=O)CCC\C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Digitoxigenin bisdigitoxide
SMILES: O[C@@]12C3C([C@@]4([C@H](CC3)C[C@@H](O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@@H](O)C6)C)[C@@H](O)C5)C)CC4)C)CC[C@@]1([C@H](CC2)C=7COC(=O)C7)C
Compound: 6,7-Dihydroxy-2-aminotetralin
SMILES: OC=1C=C2CC(N)CCC2=CC1O
Compound: Ribociclib
SMILES: O=C(N(C)C)C=1N(C2CCCC2)C3=NC(=NC=C3C1)NC4=NC=C(N5CCNCC5)C=C4
Compound: SM(d17:2(4E,8Z)/6 keto-PGF1alpha)
SMILES: P(OC[C@H](NC(=O)CCCCC(=O)C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)[C@H](O)/C=C/CC/C=C\CCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: CL(8:0/8:0/11:0/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCC)(OC[C@@H](O)COP(OC[C@H](OC(=O)CCCCCCC)COC(=O)CCCCCCC)(O)=O)(O)=O
Compound: Ornithylamphotericin methyl ester
SMILES: O1C2C(C(O)CC1(O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(OC(C(C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(OC3OC(C(O)C(NC(=O)C(N)CCCN)C3O)C)C2)C)C)=O)C(OC)=O
Compound: Inosine,2',3'-dideoxy-
SMILES: O1C(N2C=3N=CNC(=O)C3N=C2)CCC1CO
Compound: PG(PGE2/i-14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC(C)C)COC(=O)CCC/C=C\C[C@@H]1[C@H]([C@H](O)CC1=O)/C=C/[C@@H](O)CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: CDP-DG(a-21:0/PGE2)
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@H](C(=O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)C=C[C@@H](O)CCCCC)CC=CCCCC(O[C@@H](COP(O1)(O)=O)COC(=O)CCCCCCCCCCCCCCCCC(CC)C)=O)(O)=O
Compound: CDP-DG(22:3(10Z,13Z,16Z)/PGE2)
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@H](C(=O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C/[C@@H](O)CCCCC)CC=CCCCC(O[C@@H](COP(O1)(O)=O)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC)=O)(O)=O
Compound: Ammonia aspartate
SMILES: O1NOC(=O)CC(N)C1=O
Compound: 3h-Adrenaline
SMILES: OC(C=1CC(O)C(O)=CC1)CNC
Compound: PE(P-16:0/20:3(5Z,8Z,11Z)-O(14R,15S))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CC1OC1CCCCC)CO\C=C\CCCCCCCCCCCCCC)(OCCN)(O)=O
Compound: Trapencaine
SMILES: O([C@H]1[C@H](N2CCCC2)CCCC1)C(=O)NC3=CC(OCCCCC)=CC=C3
Compound: 3a,7a,12a,19-Tetrahydroxy-5b-cholanoic acid
SMILES: O[C@@H]1[C@]2([C@H]([C@H]3[C@@H]([C@@]4([C@H](C[C@H]3O)C[C@H](O)CC4)CO)C1)CC[C@@H]2[C@@H](CCC(O)=O)C)C
Compound: Ile-Ile-Ile-Pro
SMILES: O=C(N1C(CCC1)C(O)=O)C(NC(=O)C(NC(=O)C(N)C(CC)C)C(CC)C)C(CC)C
Compound: (10E,15Z)-9,12,13-Trihydroxyoctadeca-10,15-dienoylcarnitine
SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)CCCCCCCC(O)/C=C/C(O)C(O)C/C=C/CC
Compound: (5Z)-7-[(1S,5E)-5-[(2E)-Oct-2-en-1-ylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoylcarnitine
SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)CCC\C=C\CC1/C(/C(=O)C=C1)=C/C=C/CCCCC
Compound: Beloranib
SMILES: O1[C@]([C@@H]2[C@]3(OC3)CC[C@@H](OC(=O)/C=C/C4=CC=C(OCCN(C)C)C=C4)[C@H]2OC)([C@H]1CC=C(C)C)C
Compound: SM(d19:0/6 keto-PGF1alpha)
SMILES: P(OC[C@H](NC(=O)CCCCC(=O)C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)[C@H](O)CCCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: Triptolide Analog
SMILES: O1[C@H]2[C@@]3(O)C([C@@]4([C@H]([C@](CCC4)(C)C(OC)=O)CC3)C)=CC(=O)[C@@]12C(C)C
Compound: PA(20:3(6,8,11)-OH(5)/14:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCC(O)/C=C/C=C/C\C=C\CCCCCCCC)(O)(O)=O
Compound: DG(8:0/PGJ2/0:0)
SMILES: O=C1[C@@H]([C@@H](C/C=C\CCCC(O[C@H](COC(=O)CCCCCCC)CO)=O)C=C1)/C=C/[C@@H](O)CCCCC
Compound: PI(PGE2/20:3(5Z,8Z,11Z))
SMILES: P1(O[C@@H]2[C@H](O)[C@H](O)[C@H]([C@H](O)CC(=O)[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CC=CCCCC(OC[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)CO1)=O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: Cer(t18:0/LTE4)
SMILES: S(C[C@H](N)C(=O)N[C@H](C(O)C(O)CCCCCCCCCCCCCC)CO)[C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC
Compound: SM(d16:1/6 keto-PGF1alpha)
SMILES: P(OC[C@H](NC(=O)CCCCC(=O)C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)[C@H](O)/C=C/CCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: PI(20:4(5Z,8Z,11Z,14Z)/PGJ2)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CC=CCCCC(O[C@@H](CO1)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)C=CC(=O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: Florbenazine
SMILES: FCCCOC=1C=C2C([C@@H]3N(C[C@H]([C@H](O)C3)CC(C)C)CC2)=CC1OC
Compound: PI(18:3(6Z,9Z,12Z)/PGE2)
SMILES: P1(O[C@@H]2[C@H](O)[C@H](O)[C@H]([C@H](O)CC(=O)[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CC=CCCCC(O[C@@H](CO1)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: PIP(18:3(6Z,9Z,12Z)/PGJ2)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CC=CCCCC(O[C@@H](CO1)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)C=CC(=O)[C@@H]([C@@H](O)[C@H]2OP(O)(O)=O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: Nosantine
SMILES: O[C@@H]([C@@H](N1C=2N=CNC(=O)C2N=C1)CCCCCC)C
Compound: PIP(22:3(10Z,13Z,16Z)/6 keto-PGF1alpha)
SMILES: P1(O[C@@H]2[C@H](OP(O)(O)=O)[C@H](O)[C@H]([C@H](O)C[C@H](O)[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CC(=O)CCCCC(O[C@@H](CO1)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC)=O)/C=C\[C@@H](O)CCCCC)(O)=O
Compound: 1-(3-Hydroxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyrrolidin-2-one
SMILES: O1C(C(O)C(N2CCCC2=O)C3=C1C=CC(=C3)C)(C)C
Compound: Hypromellosum
SMILES: O(C1C(OCC(O)C)C(OCC(O)C)C(OC1COCC(O)C)OC)C2OC(C(OC3OC(C(OC)C(O)C3O)CO)C(OC)C2OC)COC
Compound: PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/PGF2alpha)
SMILES: P(OC[C@H](OC(=O)CCC\C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@@H](O)COP(O)(O)=O)(O)=O
Compound: PI(5-iso PGF2VI/16:0)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@H](O)CCCCC)CC=CCC(OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)CO1)=O)(O)=O
Compound: Acetylsoyasaponin A6
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(C(OC6OCC(O)C(OC7OCC(OC(=O)C)C(OC(=O)C)C7OC(=O)C)C6O)C(O)C(C5)(C)C)C)=CC3)C)(CC2)C)(CC1)C)(CO)C)C8OC(C(O)C(O)C8OC9OCC(O)C(O)C9O)C(O)=O
Compound: PS(LTE4/22:5(4Z,7Z,10Z,13Z,16Z))
SMILES: S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC)C[C@H](N)C(OC[C@@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(OC[C@H](N)C(O)=O)(O)=O)=O
Compound: PE(LTE4/DiMe(11,3))
SMILES: S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC)C[C@H](N)C(OC[C@@H](OC(=O)CCCCCCCCCCC=1OC(=C(C1C)C)CCC)COP(OCCN)(O)=O)=O
Compound: PI(18:0/LTE4)
SMILES: S(C[C@H](N)C(O[C@@H](COP(OC1[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)(O)=O)COC(=O)CCCCCCCCCCCCCCCCC)=O)[C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC
Compound: Notoginsenoside R6
SMILES: O([C@@H]1[C@@H]2[C@@]([C@@H]3[C@]([C@]4([C@@H]([C@H](CC4)[C@@](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)(CCC=C(C)C)C)[C@H](O)C3)C)(C1)C)(CC[C@H](O)C2(C)C)C)[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO
Compound: PIP(20:2(11Z,14Z)/PGF2alpha)
SMILES: P1(O[C@@H]2[C@H](OP(O)(O)=O)[C@H](O)[C@H]([C@H](O)C[C@H](O)[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CC=CCCCC(O[C@@H](CO1)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)=O)C=C[C@@H](O)CCCCC)(O)=O
Compound: PS(22:4(7Z,10Z,13Z,16Z)/18:1(11Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: PI(20:1(11Z)/5-iso PGF2VI)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C\[C@H](O)CCCCC)CC=CCC(O[C@@H](CO1)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)=O)(O)=O
Compound: PI(20:2(11Z,14Z)/PGF2alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CC=CCCCC(O[C@@H](CO1)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)=O)(O)=O
Compound: Matesaponin 3
SMILES: O([C@@H]1C([C@H]2[C@@]([C@@H]3[C@]([C@]4(C([C@H]5[C@@](CC4)(CC[C@H]([C@@H]5C)C)C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)=O)=CC3)C)(CC2)C)(CC1)C)(C)C)[C@@H]8OC[C@H](O)[C@H](O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)[C@H]8O
Compound: Safotibant
SMILES: S(=O)(=O)(N(CCOCC(=O)N(CC1=CC=C(C=2NCCN2)C=C1)C)C)C3=C(C=C(OC)C=C3C)C
Compound: PG(18:1(12Z)-O(9S,10R)/i-20:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCC1OC1C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(PGE2/a-17:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCC(CC)C)COC(=O)CCC/C=C\C[C@@H]1[C@H]([C@H](O)CC1=O)/C=C/[C@@H](O)CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PIP(18:0/TXB2)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)CC(O[C@@H]([C@@H](O)[C@H]2OP(O)(O)=O)/C=C/[C@@H](O)CCCCC)O)CC=CCCCC(O[C@@H](CO1)COC(=O)CCCCCCCCCCCCCCCCC)=O)(O)=O
Compound: 3'-Hydroxyamobarbital
SMILES: OC(CCC1(CC)C(=O)NC(=O)NC1=O)(C)C
Compound: PIP(18:0/PGF1alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2OP(O)(O)=O)/C=C/[C@@H](O)CCCCC)CCCCCCC(O[C@@H](CO1)COC(=O)CCCCCCCCCCCCCCCCC)=O)(O)=O
Compound: PIP(22:3(10Z,13Z,16Z)/PGF1alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2OP(O)(O)=O)C=C[C@@H](O)CCCCC)CCCCCCC(O[C@@H](CO1)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC)=O)(O)=O
Compound: 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol
SMILES: OCC(NC=1N=C2N(C(C)C)C=NC2=C(N1)NCC3=CC=CC=C3)CC
Compound: PI(20:3(5Z,8Z,11Z)/PGE1)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CCCCCCC(O[C@@H](CO1)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)C(=O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: Angiotensin A
SMILES: O=C(N1[C@@H](CCC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N)C(C)C)CC3=CC=C(O)C=C3)[C@H](CC)C)CC=4NC=NC4
Compound: PI(22:2(13Z,16Z)/PGF2alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CC=CCCCC(O[C@@H](CO1)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)(O)=O
Compound: PG(18:3(6Z,9Z,12Z)/20:5(6E,8Z,11Z,14Z,17Z)-OH(5))
SMILES: P(OC[C@H](OC(=O)CCCC(O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PA(24:0/PGE1)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)CC1=O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: SM(d17:1/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](O)CC)[C@H](O)\C=C\CCCCCCCCCCCC)([O-])=O
Compound: PA(22:0/20:4(6E,8Z,11Z,14Z)-OH(5S))
SMILES: P(OC[C@H](OC(=O)CCC[C@@H](O)/C=C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: SM(d19:1/5-iso PGF2VI)
SMILES: P(OC[C@H](NC(=O)C/C=C\C[C@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@H](O)CCCCC)[C@H](O)/C=C/CCCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: 17-Dimethylaminogeldanamycin
SMILES: O(C1CC(CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C1O)C)C)C)C2=O)C)C
Compound: PA(22:1(13Z)/PGF1alpha)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: DG(24:0/0:0/22:5n6)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)C[C@@H](O)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Compound: PA(22:0/PGE1)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)CC1=O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(O)(O)=O
Compound: 28-Norbrassinolide
SMILES: O1C[C@H]2[C@H]3[C@@]([C@H](CC3)[C@@H]([C@@H](O)[C@H](O)CC(C)C)C)(CC[C@@H]2[C@@]4([C@H](C[C@H](O)[C@H](O)C4)C1=O)C)C
Compound: N-Docosahexaenoyl Proline
SMILES: OC(=O)[C@H]1N(CCC1)C(=O)C=CC=CC=CC=CC=CC=CCCCCCCCCC
Compound: PS(6 keto-PGF1alpha/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCC(=O)C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Compound: (1R,3S,5Z)-5-[(2Z)-2-[(1R,3Ar,7aS)-1-[(2S)-1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SMILES: O(CC(C1C2(C(CC1)/C(/CCC2)=C/C=C\3/CC(O)CC(O)C3=C)C)C)C=4C=C(C=CC4)C(O)(C)C
Compound: 7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]heptanoylcarnitine
SMILES: OC1C(C(C(O)C1)CCCCCCC(OC(C[N+](C)(C)C)CC([O-])=O)=O)CCC(O)CCCCC
Compound: 3,4-Dimethyl-5-propyl-2-furanheptanoic acid
SMILES: O1C(CCCCCCC(O)=O)=C(C(=C1CCC)C)C
Compound: N-[2-[5-[[3-(2-Aminoethyl)-1H-indol-5-yl]-methoxymethoxy]-1H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine
SMILES: O(C1=CC=2C(CCN(C(C)C)C(C)C)=CNC2C=C1)C(OC)C3=CC=4C(CCN)=CNC4C=C3
Compound: PG(i-22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))
SMILES: P(OC[C@H](OC(=O)CCC(O)/C=C\C=C/C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(OC[C@@H](O)CO)(O)=O
Compound: DG(10:0/18:2(10E,12Z)+=O(9)/0:0)
SMILES: O([C@H](COC(=O)CCCCCCCCC)CO)C(=O)CCCCCCCC(=O)/C=C/C=C\CCCCC
Compound: PI(PGF1alpha/22:2(13Z,16Z))
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CCCCCCC(OC[C@@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)CO1)=O)(O)=O
Compound: DG(2:0/PGF1alpha/0:0)
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCCCC)CCCCCCC(O[C@H](COC(=O)C)CO)=O
Compound: PA(5-iso PGF2VI/18:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)C/C=C\C[C@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@H](O)CCCCC)(O)(O)=O
Compound: PG(i-24:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](O)CC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(OC[C@@H](O)CO)(O)=O
Compound: PG(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/i-22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCC(O)/C=C\C=C/C/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@@H](O)CO)(O)=O
Compound: PA(24:1(15Z)/18:1(12Z)-2OH(9,10))
SMILES: P(OC[C@H](OC(=O)CCCCCCC[C@H](O)[C@@H](O)C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Compound: (7Z,13Z)-hexadeca-7,13-dienedioylcarnitine
SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)CCCCC/C=C/CCCC/C=C/CC(O)=O
Compound: PG(18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
SMILES: P(OC[C@H](OC(=O)CCC[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: SM(d17:2(4E,8Z)/PGF1alpha)
SMILES: P(OC[C@H](NC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)[C@H](O)/C=C/CC/C=C\CCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: SM(d18:1/5-iso PGF2VI)
SMILES: P(OC[C@H](NC(=O)C/C=C\C[C@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@H](O)CCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: SM(d17:1/6 keto-PGF1alpha)
SMILES: P(OC[C@H](NC(=O)CCCCC(=O)C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)[C@H](O)/C=C/CCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: SM(d20:1/PGE1)
SMILES: P(OC[C@H](NC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)CC1=O)/C=C/[C@@H](O)CCCCC)[C@H](O)/C=C/CCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: Proctolin
SMILES: O=C(N1[C@@H](CCC1)C(=O)N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)CC2=CC=C(O)C=C2)CC(C)C
Compound: [12]-Shogaol
SMILES: O=C(\C=C\CCCCCCCCCCC)CCC1=CC(OC)=C(O)C=C1
Compound: PG(i-22:0/20:4(5Z,8Z,11Z,14Z)-OH(20))
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(OC[C@@H](O)CO)(O)=O
Compound: PG(a-21:0/PGJ2)
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C[C@@H]1[C@H](C(=O)C=C1)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCC(CC)C)(OC[C@@H](O)CO)(O)=O
Compound: O-2545 (hydrochloride)
SMILES: O1C([C@H]2[C@@H](CC(=CC2)C)C=3C1=CC(C(CCCCN4C=CN=C4)(C)C)=CC3O)(C)C
Compound: SM(d20:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](NC(=O)CCC[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCC)[C@H](O)\C=C\CCCCCCCCCCCCCCC)([O-])=O
Compound: PE-NMe(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
SMILES: P(OCC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OCCNC)(O)=O
Compound: PA(a-25:0/PGF2alpha)
SMILES: P(OC[C@H](OC(=O)CCC\C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(CC)C)(O)(O)=O
Compound: trans-Carvyl formate
SMILES: O([C@@H]1C[C@H](CC=C1C)C(C)=C)C=O
Compound: SM(d18:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))
SMILES: P(OC[C@H](NC(=O)CCC(O)\C=C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@H](O)CCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: 8-Azaadenosine
SMILES: Nc1ncnc2n(nnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Compound: (8S,9S,10R,13R,14S,17R)-5,6-Dihydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
SMILES: O(O)C12C(C3C(C4C(C(CC4)C(CCCC(C)C)C)(CC3)C)CC1OO)(CCC(O)C2)C
Compound: PIP(TXB2/22:3(10Z,13Z,16Z))
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)CC(O[C@@H]([C@@H](O)[C@H]2OP(O)(O)=O)/C=C/[C@@H](O)CCCCC)O)CC=CCCCC(OC[C@@H](OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC)CO1)=O)(O)=O
Compound: PI(20:3(5Z,8Z,11Z)/PGF2alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CC=CCCCC(O[C@@H](CO1)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)(O)=O
Compound: PG(18:2(9Z,11Z)/6 keto-PGF1alpha)
SMILES: P(OC[C@H](OC(=O)CCCCC(=O)C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCC/C=C\C=C/CCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Caraganoside A
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(OC6OC(C(O)C(O)C6O)CO)=O)=CC3)C)(CC2)C)(CC1)C)(C)C)C7OCC(O)C(OC8OC(C(O)C(O)C8O)CO)C7OC9OCC(O)C(O)C9O
Compound: 2-(Trifluoromethyl)isonicotinic acid
SMILES: FC(F)(F)C1=NC=CC(=C1)C(O)=O
Compound: DG(19:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCCCCC)C[C@@H](OC(=O)CCC[C@@H](O)[C@H](O)/C=C\C=C/C=C/C=C/[C@@H](O)C/C=C\CC)CO
Compound: DG(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/16:0/0:0)
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCC/C=C\[C@H](O)/C=C/C=C\C/C=C\C=C\[C@H](O)C/C=C\CC)CO
Compound: N-Eicosapentaenoyl Arginine
SMILES: OC(=O)C(NC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC)CCCN=C(N)N
Compound: 9-F1-phytoprostane
SMILES: O[C@@H]1[C@@H]([C@@H]([C@@H](O)C1)/C=C/[C@H](O)CCCCCCCC(O)=O)CC
Compound: 2-Piperidinecarboxamide, 1-butyl-N-(4-hydroxy-2,6-dimethylphenyl)-
SMILES: O=C(NC1=C(C=C(O)C=C1C)C)C2N(CCCC2)CCCC
Compound: (4Z,7Z,10Z,13Z,17Z,19Z)-16-Hydroxydocosa-4,7,10,13,17,19-hexaenoylcarnitine
SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)CC/C=C/C/C=C/C/C=C/C\C=C\CC(O)/C=C/C=C/CC
Compound: SM(d18:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](NC(=O)CCC/C=C\[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CC)[C@H](O)\C=C\CCCCCCCCCCCCC)([O-])=O
Compound: SM(d18:1/PGE2)
SMILES: P(OC[C@H](NC(=O)CCC/C=C\C[C@@H]1[C@H]([C@H](O)CC1=O)/C=C/[C@@H](O)CCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: VIPROSTOL
SMILES: O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCC(OC)=O)/C=C/CC(O)(CCCC)C=C
Compound: PA(PGF2alpha/a-25:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC(CC)C)COC(=O)CCC\C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)(O)(O)=O
Compound: PC(P-18:0/LTE4)
SMILES: S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC)C[C@H](N)C(O[C@@H](COP(OCC[N+](C)(C)C)([O-])=O)CO\C=C\CCCCCCCCCCCCCCCC)=O
Compound: PA(PGF1alpha/a-25:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC(CC)C)COC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)(O)(O)=O
Compound: 21-Fluoro-16-ethyl-19-norprogesterone
SMILES: FCC(=O)[C@@H]1[C@@]2([C@H]([C@H]3[C@H](CC2)[C@@H]4C(CC3)=CC(=O)CC4)CC1CC)C
Compound: PG(PGF2alpha/16:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Basellasaponin B
SMILES: O([C@@H]1[C@@]([C@H]2[C@@]([C@@H]3[C@]([C@]4(C([C@H]5[C@@](CC4)(CCC(C5)(C)C)C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)=O)=CC3)C)(CC2)C)(CC1)C)(C)C=O)[C@@H]7O[C@@H]([C@H]8O[C@](O)([C@H](O[C@@H]8[C@H]7O)OCC(O)=O)C(O)=O)C(O)=O
Compound: Substance P, 7-L-phenylalaninamide-8-de-L-phenylalanine-9-deglycine-10-de-L-leucine-11-de-L-methioninamide-
SMILES: O=C(N1[C@@H](CCC1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)[C@@H](NC(=O)[C@H]3N(CCC3)C(=O)[C@@H](N)CCCN=C(N)N)CCCCN
Compound: Dhesn
SMILES: O1[C@]2(O)N([C@H](C(=O)N3[C@H]2CCC3)CC(C)C)C(=O)[C@@]1(NC(=O)[C@@H]4C[C@H]5[C@H](N(C4)C)CC=6C7=C5C=CC=C7NC6)C
Compound: PA(22:5(7Z,10Z,13Z,16Z,19Z)/PGE1)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)CC1=O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Compound: Phaseoluside A
SMILES: O(C1C(C2C(C3C(C4(C(C5C(CC4)(C(O)CC(C5)(C)C)C)=CC3)C)(CC2)C)(CC1)C)(CO)C)C6OC(C(OC7OC(C(O)C(O)C7O)CO)C(OC8OC(C(O)C(O)C8O)CO)C6O)CO
Compound: 3-Ketopetromyzonol sulfate
SMILES: S(OCCC[C@H]([C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@@]4([C@@H](C[C@H]3O)CC(=O)CC4)C)C[C@@H]2O)CC1)C)C)(O)(=O)=O
Compound: PG(a-25:0/PGF1alpha)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(CC)C)(OC[C@@H](O)CO)(O)=O
Compound: PG(18:3(6Z,9Z,12Z)/20:3(6,8,11)-OH(5))
SMILES: P(OC[C@H](OC(=O)CCCC(O)/C=C/C=C/C\C=C\CCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: PG(20:3(6,8,11)-OH(5)/i-22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCC(O)\C=C\C=C\C\C=C\CCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Saponin E
SMILES: O1C(C2C3(C4(C(C5(C(CC4)C(C(OC6OC(C(O)C(OC7OC(C(O)C(O)C7O)C)C6O)CO)CC5)(C)C)C)CC2)C)CC(OC3)=O)C1(CC(O)C=C(C)C)C
Compound: Cholylthreonine
SMILES: OC1C2(C(C3C(C4(C(CC3O)CC(O)CC4)C)C1)CCC2C(CCC(=O)NC(C(O)C)C(O)=O)C)C
Compound: PG(20:1(11Z)/TXB2)
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C[C@H]1[C@@H](O)CC(O[C@@H]1/C=C/[C@@H](O)CCCCC)O)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: Brincidofovir
SMILES: P(OCCCOCCCCCCCCCCCCCCCC)(O)(=O)CO[C@@H](CN1C=CC(=NC1=O)N)CO
Compound: PI(PGE1/20:0)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CCCCCCC(OC[C@@H](OC(=O)CCCCCCCCCCCCCCCCCCC)CO1)=O)C(=O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: Cyclohexanecarboxamide
SMILES: O=C(N)C1CCCCC1
Compound: DG(8:0/18:1(12Z)-2OH(9,10)/0:0)
SMILES: O[C@@H](CCCCCCCC(O[C@H](COC(=O)CCCCCCC)CO)=O)[C@@H](O)C/C=C\CCCCC
Compound: PG(a-25:0/PGD2)
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C[C@@H]1[C@H](C(=O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(CC)C)(OC[C@@H](O)CO)(O)=O
Compound: 5-(3-Aminopropylphosphanyloxy)-2-(hydroxymethyl)pyran-4-one
SMILES: P(OC=1C(=O)C=C(OC1)CO)CCCN
Compound: Adenosine, 8-(butylamino)-N-cyclopentyl-
SMILES: O1C(N2C3=NC=NC(NC4CCCC4)=C3N=C2NCCCC)C(O)C(O)C1CO
Compound: SM(d18:0/PGE1)
SMILES: P(OC[C@H](NC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)CC1=O)/C=C/[C@@H](O)CCCCC)[C@H](O)CCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: PC(DiMe(11,5)/MonoMe(11,3))
SMILES: P(OCC[N+](C)(C)C)(OCC(OC(=O)CCCCCCCCCCC=1OC(=CC1C)CCC)COC(=O)CCCCCCCCCCC=2OC(=C(C2C)C)CCCCC)(O)=O
Compound: PA(a-25:0/PGE1)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)CC1=O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(CC)C)(O)(O)=O
Compound: PI(PGF2alpha/18:0)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CC=CCCCC(OC[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)CO1)=O)(O)=O
Compound: SM(d18:1/PGF2alpha)
SMILES: P(OC[C@H](NC(=O)CCC\C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: Milbemycin beta2
SMILES: O1C2(OC3CC(OC(=O)C4C(O)(CC(OC)C(=C4)C)C(CO)=CC=CC(CC(=CC3)C)C)C2)CCC(C1CC)C
Compound: DG(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)
SMILES: O(C(=O)CCCCCCCCCCCC)C[C@@H](OC(=O)CCC[C@@H](O)[C@H](O)\C=C/C=C\C=C\C=C\[C@@H](O)C/C=C\CC)CO
Compound: PI(22:3(10Z,13Z,16Z)/PGF1alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CCCCCCC(O[C@@H](CO1)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC)=O)(O)=O
Compound: PIP(22:2(13Z,16Z)/6 keto-PGF1alpha)
SMILES: P1(O[C@@H]2[C@H](OP(O)(O)=O)[C@H](O)[C@H]([C@H](O)C[C@H](O)[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CC(=O)CCCCC(O[C@@H](CO1)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)C=C[C@@H](O)CCCCC)(O)=O
Compound: SM(d18:2(4E,14Z)/TXB2)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](NC(=O)CCC/C=C\C[C@H]1[C@@H](O)CC(O[C@@H]1/C=C/[C@@H](O)CCCCC)O)[C@H](O)/C=C/CCCCCCCC/C=C\CCC)([O-])=O
Compound: DG(18:0/6 keto-PGF1alpha/0:0)
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCCCC)CC(=O)CCCCC(O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)CO)=O
Compound: PI(PGE2/20:4(5Z,8Z,11Z,14Z))
SMILES: P1(O[C@@H]2[C@H](O)[C@H](O)[C@H]([C@H](O)CC(=O)[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CC=CCCCC(OC[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CO1)=O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: Notoginsenoside L
SMILES: O[C@H]1[C@H]2[C@]([C@]3([C@@H]([C@@]4([C@@H](CC3)C([C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CO)CC4)(C)C)C)C1)C)(CC[C@@H]2[C@@](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)(CCC=C(C)C)C)C
Compound: CDP-DG(18:1(12Z)-2OH(9,10)/a-21:0)
SMILES: P(OC[C@H]1O[C@@H](N2C=CC(=NC2=O)N)[C@H](O)[C@@H]1O)(OP(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC(CC)C)COC(=O)CCCCCCC[C@@H](O)[C@H](O)C/C=C\CCCCC)(O)=O)(O)=O
Compound: SM(d18:2(4E,14Z)/PGJ2)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](NC(=O)CCC/C=C\C[C@@H]1[C@H](C(=O)C=C1)/C=C/[C@@H](O)CCCCC)[C@H](O)/C=C/CCCCCCCC/C=C\CCC)([O-])=O
Compound: Ethyl4-ethoxy-6-methylnicotinate
SMILES: O=C(N1C(CCC1)C(O)=O)C2N(CCC2)C(=O)C(NC(=O)C(NC(=O)C3N(CCC3)C(=O)C(NC(=O)C4N(CCC4)C(=O)C(NC(=O)C5NC(=O)CC5)CC=6C=7C(NC6)=CC=CC7)CCCN=C(N)N)CCC(=O)N)C(CC)C
Compound: PIP(22:2(13Z,16Z)/PGF2alpha)
SMILES: P1(O[C@@H]2[C@H](OP(O)(O)=O)[C@H](O)[C@H]([C@H](O)C[C@H](O)[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CC=CCCCC(O[C@@H](CO1)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)C=C[C@@H](O)CCCCC)(O)=O
Compound: CDP-DG(i-20:0/PGF2alpha)
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C\[C@@H](O)CCCCC)CC=CCCCC(O[C@@H](COP(O1)(O)=O)COC(=O)CCCCCCCCCCCCCCCCC(C)C)=O)(O)=O
Compound: PI(20:0/PGF1alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CCCCCCC(O[C@@H](CO1)COC(=O)CCCCCCCCCCCCCCCCCCC)=O)(O)=O
Compound: Azacosterol
SMILES: O[C@@H]1CC=2[C@@]([C@@H]3[C@H]([C@H]4[C@@]([C@@H](N(CCCN(C)C)C)CC4)(CC3)C)CC2)(CC1)C
Compound: SM(d18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
SMILES: P(OC[C@H](NC(=O)CCC[C@@H](O)\C=C/C=C/C=C/[C@@H](O)C/C=C\CCCCC)[C@H](O)CCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: Dmap-ethyl-paf
SMILES: P(OCC(OCC)COCCCCCCCCCCCCCCCC)(OCC[N+]1=CC(=O)C(N(C)C)C=C1)[O-]
Compound: Noroxyhydrastinine
SMILES: O1C=2C=C3CCNC(=O)C3=CC2OC1
Compound: Asi-222
SMILES: OC12C3C(C4(C(CC3)CC(OC5OC(C(N)C(O)C5O)C)CC4)C)CCC1(C(CC2)C=6COC(=O)C6)C
Compound: PI(PGE2/18:0)
SMILES: P1(O[C@@H]2[C@H](O)[C@H](O)[C@H]([C@H](O)CC(=O)[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CC=CCCCC(OC[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)CO1)=O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: CL(10:0/10:0/10:0/11:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCC)COC(=O)CCCCCCCCC)(OC[C@@H](O)COP(OC[C@H](OC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC)(O)=O)(O)=O
Compound: 3,11-Dihydroxydodecanoylcarnitine
SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)CC(O)CCCCCCCC(O)C
Compound: Pulchinenoside A
SMILES: O([C@@H]1[C@]([C@H]2[C@@]([C@@H]3[C@]([C@]4([C@@H]([C@@H]5[C@@](CC4)(CC[C@H]5C(C)=C)C(O)=O)CC3)C)(CC2)C)(CC1)C)(CO)C)[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C
Compound: SM(d20:1/6 keto-PGF1alpha)
SMILES: P(OC[C@H](NC(=O)CCCCC(=O)C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)[C@H](O)/C=C/CCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: Eflucimibe
SMILES: S(CCCCCCCCCCCC)[C@@H](C1=CC=CC=C1)C(=O)NC2=C(C(=C(O)C(=C2)C)C)C
Compound: 18-Hydroperoxyoctadeca-2,4-dienoic acid
SMILES: O(O)CCCCCCCCCCCCC/C=C/C=C/C(O)=O
Compound: PIP(22:2(13Z,16Z)/PGF1alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2OP(O)(O)=O)C=C[C@@H](O)CCCCC)CCCCCCC(O[C@@H](CO1)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)(O)=O
Compound: SM(d20:1/PGF1alpha)
SMILES: P(OC[C@H](NC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)[C@H](O)/C=C/CCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: PI(6 keto-PGF1alpha/22:3(10Z,13Z,16Z))
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CC(=O)CCCCC(OC[C@@H](OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC)CO1)=O)(O)=O
Compound: DG(10:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/0:0)
SMILES: O(C(=O)CCCCCCCCC)C[C@@H](OC(=O)CCC/C=C\[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CC)CO
Compound: CE(6 keto-PGF1alpha)
SMILES: O([C@@H]1CC=2[C@@]([C@@H]3[C@H]([C@H]4[C@@]([C@H](CC4)[C@@H](CCCC(C)C)C)(CC3)C)CC2)(CC1)C)C(=O)CCCCC(=O)C[C@@H]5[C@H]([C@H](O)C[C@@H]5O)/C=C/[C@@H](O)CCCCC
Compound: PG(18:1(12Z)-2OH(9,10)/i-22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCC[C@@H](O)[C@H](O)C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: SM(d19:1/PGE2)
SMILES: P(OC[C@H](NC(=O)CCC/C=C\C[C@@H]1[C@H]([C@H](O)CC1=O)/C=C/[C@@H](O)CCCCC)[C@H](O)/C=C/CCCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: N-Acetyl-D-cysteine
SMILES: SC[C@@H](NC(=O)C)C(O)=O
Compound: Cholyltryptophan
SMILES: OC1C2(C(C3C(C4(C(CC3O)CC(O)CC4)C)C1)CCC2C(CCC(=O)NC(CC=5C=6C(NC5)=CC=CC6)C(O)=O)C)C
Compound: PI(16:1(9Z)/6 keto-PGF1alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CC(=O)CCCCC(O[C@@H](CO1)COC(=O)CCCCCCC/C=C\CCCCCC)=O)(O)=O
Compound: Pseudojujubogenin
SMILES: O1C23OCC(C(O)(C3C4C(C5(C(C6(C(CC5)C(C(O)CC6)(C)C)C)CC4)C)(C2)C1)C)C=C(C)C
Compound: (13Z)-3-Hydroxyicos-13-enoylcarnitine
SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)CC(O)CCCCCCCCC/C=C/CCCCCC
Compound: 5-(12-Heptadecenyl)-1,3-benzenediol
SMILES: OC1=CC(CCCCCCCCCC/C=C/CCCCC)=CC(O)=C1
Compound: 3-Hydroxy-1-methylpyrrolidine-2,5-dione
SMILES: OC1CC(=O)N(C1=O)C
Compound: SM(d18:1/20:3(8Z,11Z,14Z)-2OH(5,6))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](NC(=O)CCCC(O)C(O)C/C=C\C/C=C\C/C=C\CCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC)([O-])=O
Compound: PI(PGJ2/20:3(5Z,8Z,11Z))
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CC=CCCCC(OC[C@@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)CO1)=O)C=CC(=O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)(O)=O
Compound: Trilaciclib
SMILES: O=C1NCC2(N3C1=CC=4C3=NC(=NC4)NC5=NC=C(N6CCN(CC6)C)C=C5)CCCCC2
Compound: Citrusin III
SMILES: O=C1N2C(CCC2)C(=O)NC(CC3=CC=C(O)C=C3)C(=O)NCC(=O)NC(C(=O)N4C(CCC4)C(=O)NC(CC(C)C)C(=O)NC1CC(C)C)CO
Compound: SM(d18:2(4E,14Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](NC(=O)CCC[C@@H](O)\C=C/C=C/C=C/[C@@H](O)C/C=C\CCCCC)[C@H](O)/C=C/CCCCCCCC/C=C\CCC)([O-])=O
Compound: Deoxycholylglutamic acid
SMILES: OC1C2(C(C3C(C4(C(CC3)CC(O)CC4)C)C1)CCC2C(CCC(=O)NC(CCC(O)=O)C(O)=O)C)C
Compound: N-Eicosapentaenoyl Threonine
SMILES: OC(C(NC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC)C(O)=O)C
Compound: PE(PGE1/22:2(13Z,16Z))
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)CC1=O)/C=C/[C@@H](O)CCCCC)(OCCN)(O)=O
Compound: SM(d16:1/20:3(8Z,11Z,14Z)-2OH(5,6))
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](NC(=O)CCCC(O)C(O)C/C=C\C/C=C\C/C=C\CCCCC)[C@H](O)/C=C/CCCCCCCCCCC)([O-])=O
Compound: (1R,4E,5'R,6R,6'R,7S,8S,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,29S)-22-Ethyl-7,11,14,15-tetrahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,29-octamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione
SMILES: O1C2(OC(C(CC2)C)CC(O)C)CC3OC(=O)C=CC(C(O)C(C(=O)C(C(O)C(C(=O)C(O)(C(O)C(CC=CC=CC(CCC1C3C)CC)C)C)C)C)C)C
Compound: 12-Hydroperoxy-icosatetraenoic acid
SMILES: O(O)C(CCCCCCCC)CC/C=C/C=C/C=C/C=C/C(O)=O
Compound: PI(20:3(5Z,8Z,11Z)/PGF1alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CCCCCCC(O[C@@H](CO1)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)(O)=O
Compound: (2E,4E)-Nonadeca-2,4-dienoic acid
SMILES: OC(=O)\C=C\C=C\CCCCCCCCCCCCCC
Compound: (5E,8E,11E)-13-[(2S,3S)-3-Pentylthiiran-2-yl]trideca-5,8,11-trienoic acid
SMILES: S1C(C1C/C=C/C/C=C/C/C=C/CCCC(O)=O)CCCCC
Compound: Becocalcidiol
SMILES: O[C@@H]1C/C(=C\C=C/2\[C@H]3[C@@]([C@H](CC3)[C@H](CC)C)(CCC2)C)/C[C@@H](O)C1=C
Compound: Oplophorus luciferin
SMILES: Oc1ccc(Cc2nc3c(Cc4ccccc4)[nH]c(cn3c2=O)-c2ccc(O)cc2)cc1
Compound: 24-Fluorocalcitriol
SMILES: F[C@H](CC[C@H]([C@@H]1[C@@]2([C@@H](CC1)/C(/CCC2)=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)C)C)C(O)(C)C
Compound: CDP-DG(PGF1alpha/a-21:0)
SMILES: P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C/[C@@H](O)CCCCC)CCCCCCC(OC[C@@H](OC(=O)CCCCCCCCCCCCCCCCC(CC)C)COP(O1)(O)=O)=O)(O)=O
Compound: N-Palmitoyl Lysine
SMILES: O=C(NC(CCCCN)C(O)=O)CCCCCCCCCCCCCCC
Compound: 3,11-Dihydroxytetradecanoylcarnitine
SMILES: O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)CC(O)CCCCCCCC(O)CCC
Compound: 17-Estradiol cyclooctyl acetate
SMILES: O([C@@H]1[C@@]2([C@H]([C@H]3[C@H](CC2)C4=C(CC3)C=C(O)C=C4)CC1)C)C(=O)CC5CCCCCCC5
Compound: SM(d19:0/PGF2alpha)
SMILES: P(OC[C@H](NC(=O)CCC\C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)[C@H](O)CCCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: DG(PGF2alpha/2:0/0:0)
SMILES: O[C@@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)CCCCC)C/C=C/CCCC(OC[C@@H](OC(=O)C)CO)=O
Compound: PI(20:0/PGF2alpha)
SMILES: P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CC=CCCCC(O[C@@H](CO1)COC(=O)CCCCCCCCCCCCCCCCCCC)=O)(O)=O
Compound: 13'-Hydroxy-gamma-tocotrienol
SMILES: O1[C@](CCC=2C1=C(C(=C(O)C2)C)C)(CC/C=C(/CC/C=C(/CC/C=C(/CO)\C)\C)\C)C
Compound: Cer(d18:1/20:4(6E,8Z,11Z,14Z)-OH(5S))
SMILES: O[C@@H]([C@@H](NC(=O)CCC[C@@H](O)/C=C/C=C\C/C=C\C/C=C\CCCCC)CO)\C=C\CCCCCCCCCCCCC
Compound: Isofucosterol 3-O-[6-O-Hexadecanoyl-b-D-glucopyranoside]
SMILES: O(C1CC=2C(C3C(C4C(C(CC4)C(CC/C(/C(C)C)=C\C)C)(CC3)C)CC2)(CC1)C)C5OC(C(O)C(O)C5O)COC(=O)CCCCCCCCCCCCCCC
Compound: Hexa-D-arginine
SMILES: O=C(N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N)[C@H](NC(=O)[C@H](NC(=O)[C@H](N)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N
Compound: solasodine 3-O-beta-D-glucopyranoside
SMILES: O1C2C(C3(C(C4C(CC3)C5(C(=CC4)CC(OC6OC(C(O)C(O)C6O)CO)CC5)C)C2)C)C(C17[NH2+]CC(CC7)C)C
Compound: PG(20:4(6E,8Z,11Z,14Z)+=O(5)/i-19:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Compound: [(2R,3S,5R)-5-(2,4-Dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-fluorophosphinic acid
SMILES: P(F)(OCC1OC(N2C(=O)NC(=O)C=C2)CC1O)(O)=O
Compound: PG(18:1(11Z)/PGF1alpha)
SMILES: P(OC[C@H](OC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC)(OC[C@@H](O)CO)(O)=O
Compound: 2(1H)-Quinolinone, 3-methoxy-
SMILES: O(C1=CC=2C(NC1=O)=CC=CC2)C
Compound: PG(i-19:0/TXB2)
SMILES: P(OC[C@H](OC(=O)CCC/C=C\C[C@H]1[C@@H](O)CC(O[C@@H]1/C=C/[C@@H](O)CCCCC)O)COC(=O)CCCCCCCCCCCCCCCC(C)C)(OC[C@@H](O)CO)(O)=O
Compound: hemicalyculin A
SMILES: P(OC1C([C@]2(OC1C(CC(C(C(C(C)/C=C(\C)/C(/C)=C/C=C/C(/C)=C\C#N)C)C)C)C)OC(C(C(O)C2)C)C/C=C/C=3N=C(OC3)C(CCNC(=O)C(O)C(O)C(N(C)C)COC)C)(C)C)(O)(O)=O
Compound: SM(d18:0/PGJ2)
SMILES: P(OC[C@H](NC(=O)CCC/C=C\C[C@@H]1[C@H](C(=O)C=C1)/C=C/[C@@H](O)CCCCC)[C@H](O)CCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: 2H-1-Benzopyran-2-one, aminomethyl-
SMILES: O1C=2C(C=C(CN)C1=O)=CC=CC2
Compound: PE(24:1(15Z)/LTE4)
SMILES: S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC)C[C@H](N)C(O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(OCCN)(O)=O)=O
Compound: DG(20:0/LTE4/0:0)
SMILES: S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC)C[C@H](N)C(O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)CO)=O
Compound: PC(16:0/PGF2alpha)
SMILES: P(OC[C@H](OC(=O)CCC\C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: N-Linoleoyl Glutamine
SMILES: O=C(NC(CCC(=O)N)C(O)=O)CCCCCCC/C=C/C\C=C\CCCCC
Compound: SM(d19:0/PGF1alpha)
SMILES: P(OC[C@H](NC(=O)CCCCCC[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)[C@H](O)CCCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O
Compound: PG(a-25:0/LTE4)
SMILES: S([C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC)C[C@H](N)C(O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(CC)C)COP(OC[C@@H](O)CO)(O)=O)=O
Compound: PE(22:4(7Z,10Z,13Z,16Z)/22:0)
SMILES: P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Compound: Didemnin C
SMILES: O=C1N2[C@@H](CCC2)C(=O)N([C@@H](CC3=CC=C(OC)C=C3)C(O[C@@H]([C@H](NC(=O)[C@H](N(C(=O)[C@@H](O)C)C)CC(C)C)C(=O)N[C@H]([C@H](CC)C)[C@@H](O)CC(O[C@H](C(=O)[C@@H](C(=O)N[C@H]1CC(C)C)C)C(C)C)=O)C)=O)C
Compound: Methyl-[12]-gingerdiol
SMILES: OC(CCCCCCCCCCC)CC(O)CCC1=CC(OC)=C(OC)C=C1
Compound: 5-Azanonane deriv.
SMILES: O[C@H]([C@@H](NC(=O)[C@@H](NC(OC)=O)C(C)C)CC1=CC=CC=C1)CN(NC(=O)[C@@H](NC(OC)=O)C(C)C)CCC(C)C
Compound: 1-[Ethyl-(6-hydrazinylpyridazin-3-yl)amino]propan-2-ol
SMILES: OC(CN(CC)C1=NN=C(NN)C=C1)C
Compound: N(4)-Oleylcytosine arabinoside
SMILES: O1[C@@H](N2C=CC(=NC2=O)NCCCCCCCC/C=C\CCCCCCCC)[C@@H](O)[C@H](O)[C@H]1CO
Compound: PC(DiMe(11,5)/PGE2)
SMILES: P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C\C[C@@H]1[C@H]([C@H](O)CC1=O)/C=C/[C@@H](O)CCCCC)COC(=O)CCCCCCCCCCC=2OC(=C(C2C)C)CCCCC)([O-])=O
Compound: N-[2-(3,4-Dihydroxyphenyl)ethyl]icosa-5,8,11,14-tetraenamide
SMILES: O=C(NCCC1=CC(O)=C(O)C=C1)CCC/C=C/C/C=C/C\C=C\C\C=C\CCCCC