JAZL/ChemGist-CHON huggingface dataset:
Compound: Nigerose
SMILES: O1[C@H](O[C@@H]2[C@@H](O)C(O[C@@H]([C@H]2O)CO)O)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
InChIKey: QIGJYVCQYDKYDW-NSYYTRPSSA-N
Synonyms: Nigerose, 497-48-3, 3-O-alpha-D-glucopyranosyl-D-glucopyranose, CHEBI:7570, DTXSID70331419, alpha-D-glucopyranosyl-(1->3)-D-glucopyranose, RefChem:165833, GlyTouCan:G56660NC, DTXCID70282513, G56660NC, Sakebiose, (3R,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol, alpha-D-Glup-(1->3)-D-Glu, alpha-D-Glup-(1->3)-D-Glup, 3-O-alpha-D-glucopyranosyl-D-glucose, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxane-3,4,5-triol, Glucose Impurity 7, alpha-1,3-glucose disaccharide, SCHEMBL15284954, QIGJYVCQYDKYDW-NSYYTRPSSA-N, Nigerose, >=94.0% (HPLC), D-Glucose, 3-O-a-D-glucopyranosyl-, ON06975, 3-O-a-D-Glucopyranosyl-D-glucopyranose, DA-56180, C01518, G91150, Q3110035, (3R,4S,5R,6R)-6-(hydroxymethyl)-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,5-triol, (3R,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,3,5-triol
Theoretical properties:
molecular_formula: C12H22O11
molecular_weight: 342.30 g/mol
exact_mass: 342.11621151 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 8
hydrogen_bond_acceptor_count: 11
rotatable_bond_count: 4
heavy_atom_count: 23
topological_polar_surface_area: 190 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Nigerose is a glycosylglucose consisting of D-glucose with undefined anomeric stereochemistry and an alpha-D-glucosyl residue attached at the 3-position.
chebi: A glycosylglucose consisting of <small>D</small>-glucose with undefined anomeric stereochemistry and an α-<small>D</small>-glucosyl residue attached at the 3-position.
wikipedia: Nigerose, also known as sakebiose, is an unfermentable sugar obtained by partial hydrolysis of nigeran, a polysaccharide found in black mold, but is also readily extracted from the dextrans found in rice molds and many other fermenting microorganisms, such as L. mesenteroides. It is a disaccharide made of two glucose residues, connected with a 1->3 link. It is a product of the caramelization of glucose.
Compound: 93601-68-4
SMILES: O1C(OC2C(OC(CO)C(C2O)O)O)C(O)C(O)C(C1CO)O
InChIKey: HIWPGCMGAMJNRG-UHFFFAOYSA-N
Synonyms: 93601-68-4, 2-O-Hexopyranosylhexopyranose, DTXSID90404997, RefChem:935530, GlyTouCan:G71047SY, DTXCID10355851, G71047SY, 6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol, 2-O-(a-D-Galactopyranosyl)-D-galactose, 2-O-(a-D-Galactopyranosyl)-D-glucopyranose, 2-O-(alpha-D-Galactopyranosyl)-D-galactose, 7286-57-9, Gal(b1-2)Glc, 2-O-a-D-Glucopyranosyl-D-galactopyranose, SCHEMBL14342375, CHEBI:183869, (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,4,5-triol, (3R,4S,5R,6R)-6-(hydroxymethyl)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,4,5-triol, 28447-37-2, AKOS015919192, OG06519, OG10144, 2-O-(?-D-Galactopyranosyl)-D-glucose, OG158752, DB-045215, 2-Obeta-D-glucopyranosyl-beta-D-glucopyranose, 6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,4,5-triol, alpha-Sophorose, SureCN991658, AC1L9B5M, 20880-64-2, EINECS 248-089-7, D-Glucopyranose, 2-O-beta-D-glucopyranosyl-, 20429-79-2, C08250, (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol, 26887-94-5
Theoretical properties:
molecular_formula: C12H22O11
molecular_weight: 342.30 g/mol
exact_mass: 342.11621151 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 8
hydrogen_bond_acceptor_count: 11
rotatable_bond_count: 4
heavy_atom_count: 23
topological_polar_surface_area: 190 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 2alpha-mannobiose is a glycoside.
wikipedia: The following is a partial list of minor planets, running from minor-planet number 93001 through 94000, inclusive. The primary data for this and other partial lists is based on JPL's "Small-Body Orbital Elements" and data available from the Minor Planet Center. Critical list information is also provided by the MPC, unless otherwise specified from Lowell Observatory. A detailed description of the table's columns and additional sources are given on the main page including a complete list of every page in this series, and a statistical break-up on the dynamical classification of minor planets.
Also see the summary list of all named bodies in numerical and alphabetical order, and the corresponding naming citations for the number range of this particular list. New namings may only be added to this list after official publication, as the preannouncement of names is condemned by the Working Group for Small Bodies Nomenclature of the International Astronomical Union.
Compound: 15548-39-7
SMILES: O1[C@H](O[C@@H]2C(O[C@H](CO)[C@H]([C@@H]2O)O)O)[C@@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
InChIKey: HIWPGCMGAMJNRG-VXSGSMIHSA-N
Synonyms: 15548-39-7, 2-O-alpha-D-Mannopyranosyl-D-mannopyranose, 2alpha-Mannobiose, JSS99DM8F7, DTXSID60455214, RefChem:803413, GlyTouCan:G29313LW, DTXCID50406033, G29313LW, 2+/--Mannobiose, alpha-1,2-Mannobiose, (Man)2, alpha-D-Manp-(1->2)-D-Manp, alpha-Man-(1->2)-Man, alpha-D-Man-(1->2)-D-Man, alpha-D-mannosyl-(1->2)-D-mannose, UNII-JSS99DM8F7, 2-O-(a-D-Mannopyranosyl)-D-mannopyranose, (3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol, CHEBI:59584, D-Mannopyranose, 2-o-alpha-D-mannopyranosyl-, alpha-D-mannopyranosyl-(1->2)-D-mannopyranose, 2|A-Mannobiose, Mannopyranose, 2-o-alpha-D-mannopyranosyl-, D-, alpha-D-Man-[1->2]-D-Man, 2.alpha.-Mannobiose, (3S,4S,5S,6R)-6-(Hydroxymethyl)-3-((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxane-2,4,5-triol, 2a-Mannobiose, 2-Mannobiose, 2-alpha-Mannobios, 2??-Mannobiose, 2-alpha-Mannobiose, 2 alpha -Mannobiose, Man(a1-2)Man, Man-a-1,2-Man, bmse000910, Epitope ID:136104, orb1694009, SCHEMBL4937744, MFCD01310887, 2alpha-Mannobiose, >=93% (HPLC), AKOS025287029, OM05906, PD063973, DB-251619, HY-121735, NS00073996, Q4634020, 2-O-.ALPHA.-D-MANNOPYRANOSYL-D-MANNOPYRANOSE, O_FULL_20000000000000_GS_437_c3, MANNOPYRANOSE, 2-O-.ALPHA.-D-MANNOPYRANOSYL-, D-, (3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,4,5-triol
Theoretical properties:
molecular_formula: C12H22O11
molecular_weight: 342.30 g/mol
exact_mass: 342.11621151 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 8
hydrogen_bond_acceptor_count: 11
rotatable_bond_count: 4
heavy_atom_count: 23
topological_polar_surface_area: 190 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Alpha-D-Manp-(1->2)-D-Manp is a glycosylmannose consisting of D-mannose having an alpha-D-mannosyl residue attached at the 2-position.
chebi: A glycosylmannose consisting of <small>D</small>-mannose having an α-<small>D</small>-mannosyl residue attached at the 2-position.
wikipedia: 2α-Mannobiose is a disaccharide. It is formed by a condensation reaction, when two mannose molecules react together, in the formation of a glycosidic bond.
Compound: 6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol
SMILES: O1C(OC2C(O)C(OC(C2O)CO)O)C(O)C(O)C(C1CO)O
InChIKey: QIGJYVCQYDKYDW-UHFFFAOYSA-N
Synonyms: 6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol, 6-(Hydroxymethyl)-4-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxane-2,3,5-triol, RefChem:935891, GlyTouCan:G94146YV, G94146YV, 40592-72-1, 3-O-(a-D-Galactopyranosyl)-D-glucopyranose, 3-O-(a-D-Mannopyranosyl)-D-mannopyranose, 3a-Mannobiose, Gal(a1-3)-Glc, 3-alpha-Mannobiose, 3 alpha -Mannobiose, 3alpha-Mannobiose, ~95%, SCHEMBL17529377, CHEBI:144332, (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-{[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxane-3,4,5-triol, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxane-3,4,5-triol, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxane-3,4,5-triol, (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-{[(3S,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxane-3,4,5-triol, 28447-38-3, OG10141, OG10142, OG10159, AS-78667, 3-O-(?-D-Galactopyranosyl)-D-glucopyranose, 3-O-(b-D-Galactopyranosyl)-D-mannopyranose, 3-O-(A-D-GALACTOPYRANOSYL)-D-GALACTOPYRANOSE, 4-O-beta-Galactopyranosyl-D-mannopyranose, >=98.0% (HPLC), (3R,5R,6R)-6-(hydroxymethyl)-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,5-triol, 47307-02-8, 6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,3,5-triol
Theoretical properties:
molecular_formula: C12H22O11
molecular_weight: 342.30 g/mol
exact_mass: 342.11621151 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 8
hydrogen_bond_acceptor_count: 11
rotatable_bond_count: 4
heavy_atom_count: 23
topological_polar_surface_area: 190 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 3-alpha-Mannobiose is a glycoside.
wikipedia: Nigerose, also known as sakebiose, is an unfermentable sugar obtained by partial hydrolysis of nigeran, a polysaccharide found in black mold, but is also readily extracted from the dextrans found in rice molds and many other fermenting microorganisms, such as L. mesenteroides. It is a disaccharide made of two glucose residues, connected with a 1->3 link. It is a product of the caramelization of glucose.
Compound: 23745-85-9
SMILES: O1[C@H](O[C@@H]2[C@H](O)C(O[C@@H]([C@H]2O)CO)O)[C@@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
InChIKey: QIGJYVCQYDKYDW-VXSGSMIHSA-N
Synonyms: 23745-85-9, 3-O-alpha-D-Mannopyranosyl-D-mannopyranose, 3alpha-Mannobiose, 5YP9VS8BNU, RefChem:806046, GlyTouCan:G07490EK, G07490EK, alpha-1,3-Mannobiose, UNII-5YP9VS8BNU, 3-O-(a-D-Mannopyranosyl)-D-mannopyranose, 3a-Mannobiose, D-Mannopyranose, 3-o-alpha-D-mannopyranosyl-, alpha-D-Man-(1->3)-D-Man, alpha-D-Manp-(1->3)-D-Manp, alpha-D-mannosyl-(1->3)-D-mannose, M2(3), alpha-D-mannopyranosyl-(1->3)-D-mannopyranose, Mannopyranose, 3-o-alpha-D-mannopyranosyl-, D-, (3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol, 3|A-Mannobiose, (3S,4S,5R,6R)-6-(Hydroxymethyl)-4-(((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl)oxy)oxane-2,3,5-triol, 3-O-?-D-Mannopyranosyl D-Mannose, QIGJYVCQYDKYDW-VXSGSMIHSA-N, (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-{[(3S,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxane-3,4,5-triol, (3S,4S,5R,6R)-6-(hydroxymethyl)-4-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]oxane-2,3,5-triol, Glucose Impurity 8, Man-a-1,3-Man, 3.ALPHA.-MANNOBIOSE, orb2941916, SCHEMBL3500972, CHEBI:53451, DTXSID401283142, MFCD00070173, AT49637, OM00767, HY-137304, 3-O-I+/-lpha-D-Mannopyranosyl-D-mannopyranose, Q4637036, 3-O-.ALPHA.-D-MANNOPYRANOSYL-D-MANNOPYRANOSE, MANNOPYRANOSE, 3-O-.ALPHA.-D-MANNOPYRANOSYL-, D-, (3S,4S,5R,6R)-6-(Hydroxymethyl)-4-(((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,5-triol, (3S,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,3,5-triol
Theoretical properties:
molecular_formula: C12H22O11
molecular_weight: 342.30 g/mol
exact_mass: 342.11621151 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 8
hydrogen_bond_acceptor_count: 11
rotatable_bond_count: 4
heavy_atom_count: 23
topological_polar_surface_area: 190 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Alpha-D-Manp-(1->3)-D-Manp is a glycosylmannose consisting of two D-mannopyranose residues joined via an alpha-(13)-linkage.
chebi: A glycosylmannose consisting of two <small>D</small>-mannopyranose residues joined via an α-(1→3)-linkage.
wikipedia: 3α-Mannobiose is a disaccharide composed of two mannose molecules connected by α(1→3) glycosidic bond.
Compound: Pukateine
SMILES: O1c2c3-c4c(O)cccc4C[C@@H]5c3c(CCN5C)cc2OC1
InChIKey: IKMXUUHNYQWZBC-GFCCVEGCSA-N
Synonyms: Pukateine, 81-67-4, Pukatein, (-)-Pukateine, Pukateine, (-)-, Z9Y5O2QUPA, (R)-11-hydroxy-1,2-methylenedioxyaporphine, 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-12-ol, 6,7,7a,8-tetrahydro-7-methyl-, (7aR)-, DTXSID00331801, (7aR)-6,7,7a,8-Tetrahydro-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-12-ol, (12R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol, (12R)-11-methyl-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol, (7aR)-6,7,7a,8-Tetrahydro-7-methyl-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-12-ol, RefChem:906277, DTXCID10282895, Pukateine [MI], 1,2-METHYLENEDIOXY-11-HYDROXYAPORPHIN, UNII-Z9Y5O2QUPA, SCHEMBL674930, CHEBI:8634, orb1680513, AKOS040763278, FM145657, C09613, (7aR)-7-Methyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-12-ol, 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-12-ol,6,7,7a,8-tetrahydro-7-methyl-,(7ar)-
Theoretical properties:
molecular_formula: C18H17NO3
molecular_weight: 295.3 g/mol
exact_mass: 295.12084340 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 0
heavy_atom_count: 22
topological_polar_surface_area: 41.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Pukateine is an aporphine alkaloid.
wikipedia: Pukateine is an alkaloid found in the bark of the New Zealand tree Laurelia novae-zelandiae ("Pukatea"), as well as some South American plants. An extract from pukatea is used in traditional Māori herbal medicine as an analgesic.
Bernard Cracroft Aston studied the physical and chemical characteristics of the compound, and presented a paper with his findings to the Royal Society of New Zealand  on 11 May 1909.
Compound: Macbecin
SMILES: O=C1NC=2C(=O)C(=CC(C2)=O)C(OC)C(CC(OC)C(OC)C(C=C(C(C(C=CC=C1C)C)OC(=O)N)C)C)C
InChIKey: PLTGBUPHJAKFMA-UHFFFAOYSA-N
Synonyms: Macbecin, Macbecin I; NSC 330499, SCHEMBL2682391
Theoretical properties:
molecular_formula: C30H42N2O8
molecular_weight: 558.7 g/mol
exact_mass: 558.29411630 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 5
heavy_atom_count: 40
topological_polar_surface_area: 143 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Macbecins are a pair of chemical compounds in the ansamycin family of antibiotics.  They are designated macbecin I and macbecin II and they were first isolated from actinomycete bacteria. Macbecin possesses antitumor properties. In vitro studies have shown that macbecins are effective in the eradication of Gram-positive bacteria, fungi, and protozoa including Tetrahymena pyriformis.
Compound: Hoe 175
SMILES: O=C1N(c2ccccc2)c3c(n[nH]c3C)N(C(C1)=O)C
InChIKey: RHZDHINXKVZTEF-UHFFFAOYSA-N
Synonyms: Hoe 175, Hoe-175, Pyrazolo(3,4-b)(1,4)diazepine-5,7(1H,6H)-dione, 4,8-dihydro-3,8-dimethyl-4-phenyl-, RefChem:923020, Razobazam, 78466-98-5, Razobazam [INN], LZ84VWN0U4, 3,8-dimethyl-4-phenyl-2H-pyrazolo[3,4-b][1,4]diazepine-5,7-dione, 4,8-Dihydro-3,8-dimethyl-4-phenylpyrazolo(3,4-b)(1,4)diazepine-5,7(1H,6H)-dione, 3,8-dimethyl-4-phenyl-4,8-dihydropyrazolo[3,4-b][1,4]diazepine-5,7(1H,6H)-dione, Razobazamum [Latin], Razobazamum, 3,8-dimethyl-4-phenyl-5,6,7,8-tetrahydropyrazolo-(3,4-b)(1,5)-diazepine-1H,4H-5,7-dione, UNII-LZ84VWN0U4, orb1701717, SCHEMBL2110421, SCHEMBL2110423, CHEMBL2106934, DTXSID20868482, HR-175, AKOS040747356, SB18802, Pyrazolo[3,4-b][1,4]diazepine-5,7(1H,4H)-dione,6,8-dihydro-3,8-dimethyl-4-phenyl-, CS-0104392, NS00124980, Q7299607
Theoretical properties:
molecular_formula: C14H14N4O2
molecular_weight: 270.29 g/mol
exact_mass: 270.11167570 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 20
topological_polar_surface_area: 69.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: RAZOBAZAM is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Hoe-farming is a primitive form of agriculture defined by the absence of the plough. Tillage in hoe-farming cultures is done by simple manual tools such as digging sticks or hoes.
Hoe-farming is the earliest form of agriculture practiced in the Neolithic Revolution.
Early forms of the plough (ard) were introduced throughout the Near East (Naqada II) and Europe (Linear Pottery culture) by the 5th to 4th millennium BC. 
The invention spread throughout Greater Persia and parts of Central Asia, reaching East Asia in the 2nd millennium BC (Chinese Bronze Age).
The term hoe-farming was introduced (as German: Hackbau, as opposed to Ackerbau) by Eduard Hahn in 1910.
The parts of the world where agriculture was introduced but not the plough (in the case of the New World up to the introduction of plough-farming with European colonization) were named the hoe-cultivation belt (Hackbaugürtel) by Hahn (1914), followed by Werth (1954). 
The hoe-cultivation belt is mostly located in tropical latitudes, including Sub-Saharan Africa (but not the Horn of Africa, where the plough appears to have been introduced via Egypt), Maritime Southeast Asia, and the pre-Columbian Americas.
Hoe-farming often coincides with long fallow systems and shifting cultivation. Split hoes (also known as prong hoes, tined hoes or bent forks) are hoes that have two or more tines at right angles to the shaft. Their use is typically to loosen the soil, prior to planting or sowing. It provides the ability to cultivate effectively at small row distances. Split hoeing is contrasted to permanent plough-based cultivation systems and the intensification of agriculture. Hoe-farming may contain slash and burn clearance techniques, but they are not strictly necessary. It is usually embedded in the logic of subsistence agriculture.
Compound: 868-54-2
SMILES: N#CC(C#N)=C(N)CC#N
InChIKey: BNHGNFYPZNDLAF-UHFFFAOYSA-N
Synonyms: 868-54-2, 2-Amino-1-propene-1,1,3-tricarbonitrile, Malononitrile dimer, 2-Amino-1,1,3-tricyanopropene, TRIAP, 1,1,3-Tricyano-2-amino-1-propene, OC6G895YHN, NSC-77901, DTXSID80235813, RefChem:462912, DTXCID10158304, 212-777-5, 2-aminoprop-1-ene-1,1,3-tricarbonitrile, 2-Amino-1,1,3-propenetricarbonitrile, 2-Amino-1,1,3-tricyano-1-propene, Upjohn 9189, (1-Amino-2-cyanoethylidene)malononitrile, MFCD00001851, 1-PROPENE-1,1,3-TRICARBONITRILE, 2-AMINO-, 1,1,3-Tricyano-2-aminopropene, NSC 77901, U 9189, 2-Amino-1,1,3-prop-1-enecarbonitrile, 2-Amino-1-propene-1,1,3-tricapbonitrile, 1,1,3-Prop-1-enetricarbonitrile, 2-amino-, PROPENE-1,1,3-TRICARBONITRILE, 2-AMINO, MLS000069461, SMR000059097, TCAP (VAN), EINECS 212-777-5, UNII-OC6G895YHN, BRN 1756131, 3-Aminoprop-1-ene-1,1,3-tricarbonitrile, 3-Amino-2-cyano-2-pentenedinitrile, Malononitrile, dimer, 2-amino-1,3,3-tricyano-2-propene, Opera_ID_1596, U-9189, NCIOpen2_000863, WLN: NCYCN&UYZ&1CN, 4-04-00-03109 (Beilstein Handbook Reference), 1,3-Tricyano-2-aminopropene, 2-Amino-1,3-tricyanopropene, SCHEMBL1003872, CHEMBL1341090, 1,3-Tricyano-2-amino-1-propene, HMS2236I08, HMS3371B11, NSC77901, STL283123, 2-Amino-1,3-prop-1-enecarbonitrile, AKOS000286783, 2-Amino-1-propene-1,3-tricarbonitrile, NCGC00246982-01, AS-31110, BP-12593, SY007042, 1,3-Prop-1-enetricarbonitrile, 2-amino-, 1-Propene-1,3-tricarbonitrile, 2-amino-, DB-076751, A1097, CS-0158489, NS00039155, ST50109271, 2-Amino-1,1,3-propenetricarbonitrile, 97%, 2-AMINO-1,1,3-TRICYANOPROPENE [MI], EN300-19618, PROPENE-1,3-TRICARBONITRILE, 2-AMINO, F013912, Q7841324, Z104474478, InChI=1/C6H4N4/c7-2-1-6(10)5(3-8)4-9/h1,10H
Theoretical properties:
molecular_formula: C6H4N4
molecular_weight: 132.12 g/mol
exact_mass: 132.043596145 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 1
heavy_atom_count: 10
topological_polar_surface_area: 97.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: The following highways are numbered 868:
Compound: Benexate
SMILES: O=C(OCc1ccccc1)c2c(OC(=O)C3CCC(CN=C(N)N)CC3)cccc2
InChIKey: IAXUQWSLRKIRFR-UHFFFAOYSA-N
Synonyms: Benexate, 78718-52-2, Benexate [INN], Benexato, Benzyl 2-((trans-4-(guanidinomethyl)cyclohexanecarbonyl)oxy)benzoate, benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate, O3PR2X907M, C23H27N3O4, Benexate (INN), Benzyl salicylate, trans-4-(guanidinomethyl)cyclohexanecarboxylate, Benexatum [Latin], Benexato [Spanish], Benexatum, Benzyl 2-((4-(guanidinomethyl)cyclohexane-1-carbonyl)oxy)benzoate, 345948-48-3, UNII-O3PR2X907M, BENEXATE [WHO-DD], SCHEMBL904389, SCHEMBL904390, SCHEMBL9099564, CHEMBL2104696, DTXSID80868488, CHEBI:177854, Benzoic acid, 2-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)oxy)-, phenylmethyl ester, trans-, DB-056328, NS00122147, D07506, Q4887561, Benzyl 2-({[4-(carbamimidamidomethyl)cyclohexyl]carbonyl}oxy)benzoate, Benzyl 2-{[(1r,4r)-4-{[(diaminomethylidene)amino]methyl}cyclohexane-1-carbonyl]oxy}benzoate
Theoretical properties:
molecular_formula: C23H27N3O4
molecular_weight: 409.5 g/mol
exact_mass: 409.20015635 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 9
heavy_atom_count: 30
topological_polar_surface_area: 117 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Benzyl 2-({[4-(carbamimidamidomethyl)cyclohexyl]carbonyl}oxy)benzoate is a member of salicylates.
wikipedia: Benexate (BEX) is an anti-ulcer agent used in the treatment of acid-related disorders. It is unique in its inability to form salts that are both non-bitter and soluble.
Compound: 1,2-Oxazepine
SMILES: O1N=CC=CC=C1
InChIKey: SFJGCXYXEFWEBK-UHFFFAOYSA-N
Synonyms: 1,2-Oxazepine, DTXSID50549297, 291-79-2, RefChem:216390, DTXCID10500081, SCHEMBL4108, SCHEMBL559639, SCHEMBL1118635, SCHEMBL4104429, SCHEMBL4110008, SCHEMBL4110761, SCHEMBL6182164, SCHEMBL21805848
Theoretical properties:
molecular_formula: C5H5NO
molecular_weight: 95.10 g/mol
exact_mass: 95.037113783 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 7
topological_polar_surface_area: 21.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Oxazepines are a family of unsaturated heterocycles containing seven atoms, with a nitrogen replacing a carbon at one position and with an oxygen replacing a carbon at one position.
SMILES: n1ncc2ccccc2c1N/N=C(/C=C(C)C)\C
InChIKey: DQGFCLJXYFXXIJ-LFIBNONCSA-N
Theoretical properties:
Physical properties:
Descriptions:
chembl: BUDRALAZINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.