JAZL/ChemGist-CHON huggingface dataset:
Compound: DEXTRORPHAN
SMILES: Oc1cc2c(C[C@@H]3N(C)CC[C@@]24[C@@H]3CCCC4)cc1
InChIKey: JAQUASYNZVUNQP-PVAVHDDUSA-N
Synonyms: DEXTRORPHAN, 125-73-5, Dextrorphane, Dextrorphanum, d-3-Hydroxy-N-methylmorphinan, Dextro-Dromoran, Ro 1-6794, D-levorphanol, (+)-dextrorphan, 04B7QNO9WS, Ent-17-methylmorphinan-3-ol, (+)-N-Methylmorphinan-3-ol, CHEBI:29133, RO-1-6794, DTXSID301014178, 17-methyl-9alpha,13alpha,14alpha-morphinan-3-ol, Morphinan-3-ol, 17-methyl-, (9alpha,13alpha,14alpha)-, Levorphanol D-, RefChem:132419, DTXCID601436721, 204-754-3, Levorphanol d-form, Dextrorfano, (+)-3-Hydroxy-N-methylmorphinan, (1S,9S,10S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol, Morphinan, 3-hydroxy-N-methyl, (+)-, Destrorfano [DCIT], Destrorfano, Morphinan-3-ol, 17-methyl-, (9.alpha.,13.alpha.,14.alpha.)-, Dextrorphan [INN:BAN], Lemoran (Salt/Mix), Dextrorfano [INN-Spanish], Dextrorphane [INN-French], Dextrorphanum [INN-Latin], Levo-Dromoran (Salt/Mix), (+)-cis-1,3,4,9,10,10a-Hexahydro-11-methyl-2H-10,4a-iminoethanophenanthren-6-ol, 2H-10,4a-(Iminoethano)phenanthren-6-ol, 1,3,4,9,10,10a-hexahydro-11-methyl-, (+)-, EINECS 204-754-3, UNII-04B7QNO9WS, BRN 0088093, Dextromethorphan EP Impurity B, D-morphan, DEXTRORPHAN [INN], DEXTRORPHAN [MART.], DEXTRORPHAN [WHO-DD], 4-21-00-01364 (Beilstein Handbook Reference), DEXTROMETHORPHAN_met001, SCHEMBL115577, GTPL9052, CHEMBL1254766, CHEMBL5837524, LEVORPHANOL D-FORM [MI], SCHEMBL29382611, Dextrorphan, 1mg/ml in Methanol, 9-alpha,13-alpha,14-alpha-Morphinan-3-ol, 17-methyl-, BDBM50001000, PDSP2_001522, DB14682, (1R,9R,10S)-17-Methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol, FD158174, Dextromethorphan EP Impurity B; Dextrorphan, NS00009547, Q659468, DEXTROMETHORPHAN HYDROBROMIDE IMPURITY B [EP IMPURITY], 17-METHYL-9.ALPHA.,13.ALPHA.,14.ALPHA.-MORPHINAN-3-OL, MORPHINAN-3-OL, 17-METHYL-, (9.ALPHA.,13.ALPHA.,14.ALPHA.) -, (4bR,8aS,9R)-11-Methyl-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthren-3-ol, (4bS,8aS,9S)-11-methyl-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthren-3-ol
Theoretical properties:
molecular_formula: C17H23NO
molecular_weight: 257.37 g/mol
exact_mass: 257.177964357 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 19
topological_polar_surface_area: 23.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Dextrorphan is a morphinane alkaloid.
chembl: DEXTRORPHAN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Dextrorphan (DXO) is a psychoactive drug of the morphinan class which acts as an antitussive or cough suppressant and in high doses a dissociative hallucinogen. It is the dextrorotatory enantiomer of racemorphan; the levorotatory enantiomer is levorphanol. Dextrorphan is produced by O-demethylation of dextromethorphan by CYP2D6. Dextrorphan is an NMDA antagonist and contributes to the psychoactive effects of dextromethorphan.
Compound: HYDANTOIN
SMILES: O=C1NC(=O)CN1
InChIKey: WJRBRSLFGCUECM-UHFFFAOYSA-N
Synonyms: HYDANTOIN, imidazolidine-2,4-dione, 461-72-3, 2,4-Imidazolidinedione, Glycolylurea, Imidazole-2,4(3H,5H)-dione, CHEBI:27612, NSC-9226, I6208298TA, DTXSID1052111, RefChem:788599, DTXCID3030680, CHEBI:24628, 207-313-3, MFCD00005259, 2,4(3H,5H)-Imidazoledione, 2,4-imidazolinedione, 2-Imidazolin-4(or 5)-one, 2-hydroxy-, Hydantoins, HYDANTOINE, CCRIS 6532, NSC 9226, EINECS 207-313-3, EPA Pesticide Chemical Code 128826, BRN 0110598, 2,4-(3H,5H)-imidazoledione, UNII-I6208298TA, Hydantoin, 98%, 2,5H)-Imidazoledione, imidazolidine-2,4dione, HYDANTOIN [MI], Imidazole-2,5H)-dione, HYDANTOIN [WHO-DD], SCHEMBL27690, 5-24-05-00188 (Beilstein Handbook Reference), MLS001074863, SCHEMBL197049, SCHEMBL241841, SCHEMBL241842, orb3025473, orb3029406, SCHEMBL3307654, SCHEMBL7285865, SCHEMBL8158769, SCHEMBL8626922, SCHEMBL9391323, SCHEMBL9625497, SCHEMBL27280892, NSC9226, PDK0226, HMS2234P13, HMS3373G13, PXB69761, BBL013200, BDBM50549804, EBC-04366, STL164008, AKOS000119723, CS-W011328, FH02732, MSK000512-100Y, MSK000512-1000Y, NCGC00246990-01, AS-10977, Hydantoin Solution in Ethanol, 100ug/mL, NCI60_042041, SMR000568395, Hydantoin Solution in Ethanol, 1000ug/mL, H0167, NS00019989, EN300-18068, C05146, D70295, F358212, Q418082, Z57131035, F0001-1249, InChI=1/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7, 25280-53-9
Theoretical properties:
molecular_formula: C3H4N2O2
molecular_weight: 100.08 g/mol
exact_mass: 100.027277375 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 7
topological_polar_surface_area: 58.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: >15 [ug/mL] (The mean of the results at pH 7.4)
vapor_pressure: 0.00000747 [mmHg]
Descriptions:
pubchem: Hydantoin is an imidazolidine-2,4-dione.
chembl: HYDANTOIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Hydantoin, or glycolylurea, is a heterocyclic organic compound with the formula CH2C(O)NHC(O)NH.  It is a colorless solid that arises from the reaction of glycolic acid and urea. It is an oxidized derivative of imidazolidine. In a more general sense, hydantoins can refer to groups or a class of compounds with the same ring structure as the parent compound. For example, phenytoin (mentioned below) has two phenyl groups substituted onto the number 5 carbon in a hydantoin molecule.
Compound: SUCCINIMIDE
SMILES: O=C1NC(=O)CC1
InChIKey: KZNICNPSHKQLFF-UHFFFAOYSA-N
Synonyms: SUCCINIMIDE, 123-56-8, pyrrolidine-2,5-dione, 2,5-Pyrrolidinedione, Butanimide, 2,5-Dioxopyrrolidine, Succinic acid imide, 2,5-Diketopyrrolidine, Succinic imide, 3,4-Dihydropyrrole-2,5-dione, Dihydro-3-pyrroline-2,5-dione, NSC-11204, DTXSID8051629, CHEBI:9307, 10X90O3503, DTXCID3030181, RefChem:6266, 204-635-6, 679-911-6, Succinimide-sauba, 3,4-Dihydropyrrolidine, MFCD00005495, NSC 11204, SUCCIMIDE, azolidine-2,5-dione, Mercury, disuccinimido-, WLN: T5VMVTJ, 2, mercury(2+) salt, Succinimide, mercury(2+) salt, EINECS 204-635-6, BRN 0108440, succinimid, cis-succinimide, AI3-08539, UNII-10X90O3503, 2,5dioxopyrrolidine, Lubrizol 6406, pyrroldine-2,5-dione, SUCCINIMIDE [MI], SCHEMBL774, EC 204-635-6, SUCCINIMIDE [MART.], SCHEMBL18634, SUCCINIMIDE [WHO-DD], 5-21-09-00438 (Beilstein Handbook Reference), SCHEMBL867714, BDBM7814, CHEMBL275661, orb3029565, SCHEMBL1466558, SCHEMBL1600526, SCHEMBL3675094, SCHEMBL10203348, SCHEMBL11190350, PDK0050, NSC11204, NSC13114, NSC38417, NSC41221, NSC49152, Tox21_303851, EBC-04371, NSC-13114, NSC-49152, SBB040866, STL163344, AKOS000118776, DB13376, NCGC00357119-01, BP-21153, CAS-123-56-8, HY-41877, CS-0019112, NS00001653, ST50214456, EN300-17963, C07273, D08532, F358203, Q419430, Z57127349, F1908-0169, 1BBF5533-77F1-4B20-96F3-0BB022C36CD3, InChI=1/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7, 25950-42-9
Theoretical properties:
molecular_formula: C4H5NO2
molecular_weight: 99.09 g/mol
exact_mass: 99.032028402 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 7
topological_polar_surface_area: 46.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Succinimide is a dicarboximide that is pyrrolidine which is substituted by oxo groups at positions 2 and 5. It is a dicarboximide and a pyrrolidinone.
chebi: A dicarboximide that is pyrrolidine which is substituted by oxo groups at positions 2 and 5.
chembl: SUCCINIMIDE is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Succinimide is an organic compound with the formula (CH2)2(CO)2NH. This white solid is used in a variety of organic syntheses, as well as in some industrial silver plating processes. The compound is classified as a cyclic imide. It may be prepared by thermal decomposition of ammonium succinate.
Compound: Oxazolidine
SMILES: O1CNCC1
InChIKey: WYNCHZVNFNFDNH-UHFFFAOYSA-N
Synonyms: Oxazolidine, 1,3-Oxazolidine, 504-76-7, 13F52UF6MR, CHEBI:50310, DTXSID50198446, RefChem:168862, CHEBI:38330, DTXCID80120937, 610-533-6, MFCD16251479, Bioban CS-1246, UNII-13F52UF6MR, EPA Pesticide Chemical Code 128909, 1,3-Oxazolidine #, SCHEMBL4980, SCHEMBL22251, SCHEMBL22743, SCHEMBL22779, SCHEMBL23024, SCHEMBL24381, 1,3-Oxazolidine, tech grade, SCHEMBL130963, SCHEMBL454303, SCHEMBL5231985, SCHEMBL6235637, SCHEMBL6241971, SCHEMBL9189522, SCHEMBL9629882, CHEMBL4297314, SCHEMBL11110110, AAA50476, AKOS006351677, SY060692, DB-126743, CS-0214988, A51210, EN300-211422, Q417695
Theoretical properties:
molecular_formula: C3H7NO
molecular_weight: 73.09 g/mol
exact_mass: 73.052763847 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 5
topological_polar_surface_area: 21.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 1,3-oxazolidine is an oxazolidine.
chembl: OXAZOLIDINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Oxazolidine is a five-membered heterocycle ring with the formula (CH2)3(NH)O.The O atom and NH groups are not mutually bonded, in contrast to isoxazolidine. Oxazolidines (emphasis on plural) are derivatives of the parent oxazolidine owing to the presence of substituents on carbon and/or nitrogen. Oxazolines are unsaturated analogues of oxazolidines.
Compound: Pterin
SMILES: O=c1nc([nH]c2c1nccn2)N
InChIKey: HNXQXTQTPAJEJL-UHFFFAOYSA-N
Synonyms: Pterin, 2236-60-4, 2-Amino-4-hydroxypteridine, Pteridoxamine, 4-Oxopterin, 2-Amino-4-pteridone, 2-Amino-4(1H)-pteridinone, 2-amino-3H-pteridin-4-one, 85MA24E1NH, NSC-11540, NSC-18696, NSC-170929, DTXSID40176894, 2-amino-3,4-dihydropteridin-4-one, RefChem:464305, DTXCID3099385, CHEBI:26374, CHEBI:73184, 218-799-1, Pterine, 2-aminopteridin-4-ol, 2-aminopteridin-4(3H)-one, 2-Amino-1H-pteridin-4-one, 2-Amino-4-oxopteridine, 2-Amino-4(3H)-pteridinone, 2-Amino-4-hydroxy-1H-pteridine, 2-AMINO-4-HYDROXY-PTERIDINE, 2-aminopteridin-4(1H)-one, 2-Amino-4-pteridinol, Quinonoid dihydropterin, 2-amino-, MFCD01456481, NSC 11540, NSC 18696, 938-42-1, NSC 170929, CHEMBL278009, 2-amino-4,8-dihydropteridin-4-one, Pterin (VAN), 2-Aminopteridin-4(8H)-one, PE0, EINECS 218-799-1, CID 73000, 2-desaminoaminopterin, Pterine, ~95%, Sepiapterin Impurity 9, 2-Aminopteridin-4-one, 4-Oxo-2-aminopteridine, Sapropterin Impurity pterin, UNII-85MA24E1NH, Oprea1_553855, SCHEMBL64320, SCHEMBL64321, SCHEMBL66137, 2-DESAMINO-AMINOPTERIN, 2-amino-Quinonoid dihydropterin, orb2814598, SCHEMBL4364328, pteridine, 2-amino-4-hydroxy-, 4(3H)-pteridinone, 2-amino-, SCHEMBL27137266, SCHEMBL27150024, SCHEMBL29364680, CHEBI:18265, CHEBI:37105, CHEBI:44992, HMS1619F05, Pterine, >=97.0% (HPLC), NSC11540, NSC18696, BDBM50125772, EBC-66029, MSK159833, NSC170929, STL513120, AKOS001714431, AKOS022636522, FA12181, HY-W037825, MSK159833-1000M, AC-28118, SY074276, TS-00118, DB-045886, CS-0094341, NS00027152, ST50306956, C00715, EN300-248741, Q386702, 2-Amino-4-hydroxypteridine Solution in Methanol, 1000ug/mL, 2-Amino-4-hydroxypteridine, 2-Amino-4-oxodihydropteridine, Pterin, InChI=1/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12
Theoretical properties:
molecular_formula: C6H5N5O
molecular_weight: 163.14 g/mol
exact_mass: 163.04940980 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 0
heavy_atom_count: 12
topological_polar_surface_area: 93.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: 0.175 mg/mL
Descriptions:
pubchem: 2-aminopteridin-4-ol is a 2-amino-4-hydroxypteridine. It is a tautomer of a 2-aminopteridin-4(1H)-one and a 2-aminopteridin-4(3H)-one.
chembl: PTERINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Pterin is a heterocyclic compound composed of a pteridine ring system, with a "keto group" (a lactam) and an amino group on positions 4 and 2 respectively.  It is structurally related to the parent bicyclic heterocycle called pteridine. Pterins, as a group, are compounds related to pterin with additional substituents.  Pterin itself is of no biological significance. 
Pterins were first discovered in the pigments of butterfly wings (hence the origin of their name, from the  Greek pteron (πτερόν), wing) and perform many roles in coloration in the biological world.
Compound: (s)-salmeterol
SMILES: O(CCCCc1ccccc1)CCCCCCNC[C@@H](O)c2cc(c(O)cc2)CO
InChIKey: GIIZNNXWQWCKIB-RUZDIDTESA-N
Synonyms: (s)-salmeterol, 135271-48-6, 2-(hydroxymethyl)-4-[(1S)-1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol, BIDD:GT0813, SCHEMBL4452108, CHEBI:64063, PD069739, Q27132999
Theoretical properties:
molecular_formula: C25H37NO4
molecular_weight: 415.6 g/mol
exact_mass: 415.27225866 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 16
heavy_atom_count: 30
topological_polar_surface_area: 82 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: (S)-salmeterol is 2-(Hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol in which the stereocentre has S configuration. It is an enantiomer of a (R)-salmeterol.
chebi: 2-(Hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol in which the stereocentre has <i>S</i> configuration.
wikipedia: Salmeterol is a long-acting β2 adrenergic receptor agonist (LABA) used in the treatment and prevention of asthma symptoms and control of chronic obstructive pulmonary disease (COPD) symptoms. Symptoms of bronchospasm include shortness of breath, wheezing, coughing and chest tightness. It is also used to prevent breathing difficulties during exercise (exercise-induced bronchoconstriction).
It was patented in 1983 and came into medical use in 1990. It is marketed as Serevent in the US. It is available as a dry-powder inhaler (DPI) that releases a powdered form of the drug. It was previously available as a metered-dose inhaler (MDI) but was discontinued in the US in 2002. It is available as an MDI in other countries as of 2020.
SMILES: O(c1ccc(/C(/c2ccccc2)=C(\c3ccccc3)/CC)cc1)CCN(C)C
InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-N
Theoretical properties:
Physical properties:
Descriptions:
chembl: TAMOXIFEN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
SMILES: O=C1OCC(=C1)C2C3(C(O)(C4C(C5(C(CC(OC6OC(C(O)C(C6OC(=O)C)OC)C)CC5)CC4)C)CC3)CC2)C
InChIKey: UYQMTWMXBKEHJQ-UHFFFAOYSA-N
Theoretical properties:
molecular_formula: C32H48O9
molecular_weight: 576.7 g/mol
exact_mass: 576.32983310 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 9
rotatable_bond_count: 6
heavy_atom_count: 41
topological_polar_surface_area: 121 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chebi: A cardenolide glycoside that is the 2'-acetyl derivative of neriifolin.
Compound: androstenone
SMILES: O=C1C[C@H]2[C@]([C@@H]3[C@H]([C@H]4[C@](C=CC4)(C)CC3)CC2)(C)CC1
InChIKey: HFVMLYAGWXSTQI-QYXZOKGRSA-N
Synonyms: androstenone, 18339-16-7, 5alpha-Androst-16-en-3-one, Androst-16-en-3-one, BWD3D5941J, DTXSID0040965, DTXCID8020965, CHEBI:37894, AEON steroid, RefChem:558034, DTXCID20209694, DTXSID80860220, 242-220-1, 5alpha-Androstenone, Androst-16-en-3-one, (5alpha)-, (5S,8R,9S,10S,13R,14S)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one, 5a-androstenone, 5|A-Androstenone, MFCD00010479, MLS000069748, 5.alpha.-Androstenone, 5.alpha.-Androst-16-en-3-one, NCGC00167559-01, SMR000059223, Androst-16-en-3-one, (5a)-, (5S,8R,9S,10S,13R,14S)-10,13-Dimethyl-4,5,6,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one, 16-(5alpha)Androsten-3-one, 5a-androst-16-en-3-one, UNII-BWD3D5941J, 5-androstenone, 5-alpha-androst-16-en-3-one, 5|_-Androstenone, EINECS 242-220-1, E 282, Androst-16-en-3-one, (5.alpha.)-, Opera_ID_590, ANDROSTENONE [MI], 5?-Androst-16-en-3-one, SCHEMBL219128, 3-Keto-5alpha,16-androstene, orb2283812, CHEMBL1309552, (5alpha)-androst-16-en-3-one, MSK8509, 5 alpha -Androst-16-en-3-one, HMS2232H12, Tox21_112554, 5A-ANDROSTA-16-ENE-3-ONE, Androst-16-en-3-one, (5|A)-, LMST02020079, MSK8509-100A, AKOS015913988, FA31402, DS-13656, PD017692, CAS-18339-16-7, HY-118566, CS-0067485, D94581, Androstenone Solution in Acetonitrile, 100ug/mL, Q416745, 16-(5alpha)Androsten-3-one, 3-Keto-5alpha,16-androstene
Theoretical properties:
molecular_formula: C19H28O
molecular_weight: 272.4 g/mol
exact_mass: 272.214015512 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 20
topological_polar_surface_area: 17.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 371.00 to 372.00 °C. @ 760.00 mm Hg
melting_point: 140 - 141 °C
Descriptions:
pubchem: 5alpha-androst-16-en-3-one is an androstanoid that is 5alpha-androst-16-ene substituted by an oxo group at position 3. It is a steroid pheromone found in high concentrations in the saliva of male pigs,. It has a role as a pheromone and a mammalian metabolite. It is a 3-oxo steroid and an androstanoid. It derives from a hydride of a 5alpha-androst-16-ene.
chebi: An androstanoid that is 5α-androst-16-ene substituted by an oxo group at position 3. It is a steroid pheromone found in high concentrations in the saliva of male pigs,.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Androstenone (5α-androst-16-en-3-one) is a 16-androstene class steroidal pheromone. It is found in boar's saliva, celery cytoplasm, and truffle fungus. Androstenone was the first mammalian pheromone to be identified. It is found in high concentrations in the saliva of male pigs, and, when inhaled by a female pig that is in heat, results in the female assuming the mating stance. Androstenone is the active ingredient in 'Boarmate', a commercial product made by DuPont sold to pig farmers to test sows for timing of artificial insemination.
Compound: 2,2':6',2''-Terpyridine
SMILES: n1c(-c2ncccc2)cccc1-c3ncccc3
InChIKey: DRGAZIDRYFYHIJ-UHFFFAOYSA-N
Synonyms: 2,2':6',2''-Terpyridine, 1148-79-4, Tripyridine, 2,6-Bis(2-pyridyl)pyridine, 2,2',2''-Terpyridyl, 2,2',2''-Terpyridine, 2,2',2''-Tripyridyl, 2,2',2''-Tripyridine, alpha,alpha',alpha''-Tripyridyl, G5E357ISH5, NSC-3905, NSC-36755, 1(2),2(2):2(6),3(2)-terpyridine, DTXSID2061567, CHEBI:245199, RefChem:440360, DTXCID8033352, 214-559-5, Tripyridyl, TERPYRIDINE, terpy, 2,6-dipyridin-2-ylpyridine, Ba 2799, 2,6-Di(2-pyridyl)pyridine, 2,2'2''-Tripyridyl, NSC 3905, MFCD00006213, NSC 36755, NSC3905, TCMDC-123985, [2,2';6',2'']Terpyridine, 2,2'6',2'-terpyridine, MLS000048666, 2,6-Di(pyridin-2-yl)pyridine, alpha,alpha',alpha''-Terpyridine, 2,2''-Terpyridyl, 2,2''-Tripyridyl, 2,2''-Terpyridine, 2,2''-Tripyridine, 2,6-BIS(PYRIDIN-2-YL)PYRIDINE, .alpha.,.alpha.',.alpha.''-Tripyridyl, SMR000060049, .alpha.,.alpha.''-Tripyridyl, 2,2':6',2''-Terpyridine;2,2':6',2''-Terpyridine, pyridine, 2,6-di(2-pyridyl)-, CCRIS 3429, EINECS 214-559-5, UNII-G5E357ISH5, 2,6-bis(2-pyridinyl)pyridine, 2,2/':6/',2/'/'-Terpyridine, a,a',a''-Tripyridyl, 6',2'']Terpyridine, Enamine_000115, NCIMech_000074, 2,6-dipyridin-2-ylpyridin, SCHEMBL57442, cid_70848, CHEMBL89445, 2,2',6',2 -Terpyridine, 2,2':6',2"-Terpyridine, 2,2?:6?,2?-Terpyridine, orb3023393, SCHEMBL4894768, SCHEMBL4895987, SCHEMBL4902779, SCHEMBL4904143, SCHEMBL28451240, SCHEMBL29357603, BDBM38924, GNF-PF-4776, HMS1394F05, HMS2456B12, KUC105324N, NSC36755, CCG-35469, KSC-8-139, MSK001174, SBB008932, STK721799, 2,2\':6\',2\'\'-terpyridine, AKOS001032185, AB92619, CS-W004573, 2,2':6',2''-Terpyridine, 98%, .alpha.,.alpha.',.alpha.''-Terpyridine, CS-13012, NCI60_003699, ST085495, DB-050437, 1~2~,2~2~:2~6~,3~2~-Terpyridine, NS00023721, EN300-152777, F11629, F237056, Q408228, doi:10.14272/DRGAZIDRYFYHIJ-UHFFFAOYSA-N.1, Z56763027, 2,2':6',2''-Terpyridine, for spectrophotometric det. of Ag, Fe, Ru, >=98.5%, InChI=1/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11
Theoretical properties:
molecular_formula: C15H11N3
molecular_weight: 233.27 g/mol
exact_mass: 233.095297364 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 18
topological_polar_surface_area: 38.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 2,2':6',2''-terpyridine is a tridentate heterocyclic ligand that binds metals at three meridional sites giving two adjacent 5-membered MN2C2 chelate rings. It has a role as a chelator.
chebi: A tridentate heterocyclic ligand that binds metals at three meridional sites giving two adjacent 5-membered MN<small><sub>2</sub></small>C<small><sub>2</sub></small> chelate rings.
chembl: TERPYRIDINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Terpyridine (2,2';6',2"-terpyridine, often abbreviated to Terpy or Tpy) is a heterocyclic compound derived from pyridine. It is a white solid that is soluble in most organic solvents.  The compound is mainly used as a ligand in coordination chemistry.
SMILES: O=C(OCC)CCCCCCC/C=C\CCCCCCCC
InChIKey: LVGKNOAMLMIIKO-QXMHVHEDSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of  oleic acid  with the hydroxy group of ethanol.
chembl: ETHYL OLEATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
Compound: SCHEMBL29762738
SMILES: O=C1C(=CC2[C@]1(O)CC(=C[C@@H]3[C@]2(O)C([C@@H](OC(=O)CCCCCCCCCCCCC)[C@@]4([C@H]3C4(C)C)OC(=O)C)C)CO)C
InChIKey: PHEDXBVPIONUQT-AOWVHHMZSA-N
Synonyms: SCHEMBL29762738
Theoretical properties:
molecular_formula: C36H56O8
molecular_weight: 616.8 g/mol
exact_mass: 616.39751874 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 17
heavy_atom_count: 44
topological_polar_surface_area: 130 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chebi: A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of <em>Croton tiglium</em>. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types.
Compound: [(8S,9S,12S,13R,14S,16R)-13-Hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
SMILES: O=C1NC=2C(=O)C(=C(NCC=C)C(C2)=O)C[C@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](C=CC=C1C)OC)OC(=O)N)C)C)C
InChIKey: AYUNIORJHRXIBJ-JDHGPBJTSA-N
Synonyms: [(8S,9S,12S,13R,14S,16R)-13-Hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate, carbamic acid [(3R,5S,6R,7S,10S,11S)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester, KBioGR_000154, KBioSS_000154, SCHEMBL16226295, KBio2_000154, KBio2_002722, KBio2_005290, KBio3_000307, KBio3_000308, Bio2_000154, Bio2_000634, NS00073655, Q27166544
Theoretical properties:
molecular_formula: C31H43N3O8
molecular_weight: 585.7 g/mol
exact_mass: 585.30501534 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 9
rotatable_bond_count: 7
heavy_atom_count: 42
topological_polar_surface_area: 166 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions: