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Find the triple-bonded molecules which are carcinogenic.

simple

toxicology

SELECT DISTINCT T2.molecule_id FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.bond_type = '#' AND T2.label = '+'

triple-bonded molecules refers to bond_type = '#'; carcinogenic refers to label = '+'

What is the percentage of carbon in double-bond molecules?

moderate

toxicology

SELECT CAST(COUNT(DISTINCT CASE WHEN T1.element = 'c' THEN T1.atom_id ELSE NULL END) AS REAL) * 100 / COUNT(DISTINCT T1.atom_id) FROM atom AS T1 INNER JOIN bond AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.bond_type = '='

carbon refers to element = 'c'; double-bond molecules refers to bond_type = ' = '; percentage = DIVIDE(SUM(element = 'c'), COUNT(atom_id))

How many triple type bonds are there?

simple

toxicology

SELECT COUNT(T.bond_id) FROM bond AS T WHERE T.bond_type = '#'

triple type bonds refers to bond_type = '#'

In how many atoms is there no bromine?

simple

toxicology

SELECT COUNT(DISTINCT T.atom_id) FROM atom AS T WHERE T.element <> 'br'

atoms with no bromine refers to element ! = 'br'

Of the first 100 molecules in number order, how many are carcinogenic?

simple

toxicology

SELECT COUNT(T.molecule_id) FROM molecule AS T WHERE molecule_id BETWEEN 'TR000' AND 'TR099' AND T.label = '+'

first 100 molecules in number order refers to molecule_id between 'TR000' and 'TR099'; label = '+' means molecules are carcinogenic

Identify by their ID the molecules in which there is silicon.

simple

toxicology

SELECT T.atom_id FROM atom AS T WHERE T.element = 'si'

silicon refers to element = 'si';

What elements are in the TR004_8_9 bond atoms?

challenging

toxicology

SELECT DISTINCT T1.element FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id WHERE T2.bond_id = 'TR004_8_9'

TR004_8_9 bond atoms refers to bond_id = 'TR004_8_9'; element = 'cl' means Chlorine; element = 'c' means Carbon; element = 'h' means Hydrogen; element = 'o' means Oxygen, element = 's' means Sulfur; element = 'n' means Nitrogen, element = 'p' means Phosphorus, element = 'na' means Sodium, element = 'br' means Bromine, element = 'f' means Fluorine; element = 'i' means Iodine; element = 'sn' means Tin; element = 'pb' means Lead; element = 'te' means Tellurium; element = 'ca' means Calcium

What elements are in a double type bond?

challenging

toxicology

SELECT DISTINCT T1.element FROM atom AS T1 INNER JOIN bond AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN connected AS T3 ON T1.atom_id = T3.atom_id WHERE T2.bond_type = '='

double type bond refers to bond_type = ' = '; element = 'cl' means Chlorine; element = 'c' means Carbon; element = 'h' means Hydrogen; element = 'o' means Oxygen, element = 's' means Sulfur; element = 'n' means Nitrogen, element = 'p' means Phosphorus, element = 'na' means Sodium, element = 'br' means Bromine, element = 'f' means Fluorine; element = 'i' means Iodine; element = 'sn' means Tin; element = 'pb' means Lead; element = 'te' means Tellurium; element = 'ca' means Calcium

Which type of label is the most numerous in atoms with hydrogen?

moderate

toxicology

SELECT T.label FROM ( SELECT T2.label, COUNT(T2.molecule_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element = 'h' GROUP BY T2.label ORDER BY COUNT(T2.molecule_id) DESC LIMIT 1 ) t

with hydrogen refers to element = 'h'; label most numerous in atoms refers to MAX(COUNT(label)); label = '+' mean molecules are carcinogenic; label = '-' means molecules are non-carcinogenic

Tellurium is in what type of bond?

simple

toxicology

SELECT DISTINCT T1.bond_type FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id INNER JOIN atom AS T3 ON T2.atom_id = T3.atom_id WHERE T3.element = 'te'

type of bond refers to bond_type; Tellurium refers to element = 'te'

What atoms are connected in single type bonds?

simple

toxicology

SELECT T2.atom_id, T2.atom_id2 FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id WHERE T1.bond_type = '-'

single type bond refers to bond_type = '-';

Indicate which atoms are connected in non-carcinogenic type molecules.

simple

toxicology

SELECT DISTINCT T1.atom_id FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN connected AS T3 ON T1.atom_id = T3.atom_id WHERE T2.label = '-'

label = '-' means molecules are non-carcinogenic

Which element is the least numerous in non-carcinogenic molecules?

challenging

toxicology

SELECT T.element FROM ( SELECT T1.element, COUNT(DISTINCT T1.molecule_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '-' GROUP BY T1.element ORDER BY COUNT(DISTINCT T1.molecule_id) ASC LIMIT 4 ) t

label = '-' means molecules are non-carcinogenic; element = 'cl' means Chlorine; element = 'c' means Carbon; element = 'h' means Hydrogen; element = 'o' means Oxygen, element = 's' means Sulfur; element = 'n' means Nitrogen, element = 'p' means Phosphorus, element = 'na' means Sodium, element = 'br' means Bromine, element = 'f' means Fluorine; element = 'i' means Iodine; element = 'sn' means Tin; element = 'pb' means Lead; element = 'te' means Tellurium; element = 'ca' means Calcium

What type of bond is there between the atoms TR004_8 and TR004_20?

moderate

toxicology

SELECT T1.bond_type FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id WHERE T2.atom_id = 'TR004_8' AND T2.atom_id2 = 'TR004_20' OR T2.atom_id2 = 'TR004_8' AND T2.atom_id = 'TR004_20'

type of bond refers to bond_type; between the atoms TR004_8 and TR004_20 refers to atom_id between atom_id = 'TR004_8' and atom_id = 'TR004_20';

What type of label is not on molecules with atoms with tin?

simple

toxicology

SELECT DISTINCT T2.label FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element != 'sn'

tin refers to element ! = 'sn'; label = '+' mean molecules are carcinogenic; label = '-' means molecules are non-carcinogenic

How many atoms with iodine and sulfur type elements are there in single bond molecules?

challenging

toxicology

SELECT COUNT(DISTINCT CASE WHEN T1.element = 'i' THEN T1.atom_id ELSE NULL END) AS iodine_nums , COUNT(DISTINCT CASE WHEN T1.element = 's' THEN T1.atom_id ELSE NULL END) AS sulfur_nums FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id INNER JOIN bond AS T3 ON T2.bond_id = T3.bond_id WHERE T3.bond_type = '-'

with iodine element refer to element = 'i'; with sulfur element refers to element = 's'; single type bond refers to bond_type = '-';

Identify all connected atoms with a triple bond.

simple

toxicology

SELECT T2.atom_id, T2.atom_id2 FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id WHERE T1.bond_type = '#'

triple bond refers to bond_type = '#';

Identify all the atoms that are connected to the atoms of the TR181 molecule.

simple

toxicology

SELECT T2.atom_id, T2.atom_id2 FROM atom AS T1 INNER JOIN connected AS T2 ON T2.atom_id = T1.atom_id WHERE T1.molecule_id = 'TR181'

TR181 molecule refers to molecule_id = 'TR181'

What percentage of carcinogenic-type molecules does not contain fluorine?

challenging

toxicology

SELECT CAST(COUNT(DISTINCT CASE WHEN T1.element <> 'f' THEN T2.molecule_id ELSE NULL END) AS REAL) * 100 / COUNT(DISTINCT T2.molecule_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+'

label = '+' mean molecules are carcinogenic; contain fluorine refers to element = 'f'; percentage = DIVIDE(SUM(element = 'f'), COUNT(molecule_id)) as percent where label = '+'

What is the percentage of carcinogenic molecules in triple type bonds?

challenging

toxicology

SELECT CAST(COUNT(DISTINCT CASE WHEN T2.label = '+' THEN T2.molecule_id ELSE NULL END) AS REAL) * 100 / COUNT(DISTINCT T2.molecule_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T3.bond_type = '#'

label = '+' mean molecules are carcinogenic; triple bond refers to bond_type = '#'; percentage = DIVIDE(SUM(bond_type = '#'), COUNT(bond_id)) as percent where label = '+'

Please list top three elements of the toxicology of the molecule TR000 in alphabetical order.

challenging

toxicology

SELECT DISTINCT T.element FROM atom AS T WHERE T.molecule_id = 'TR000' ORDER BY T.element LIMIT 3

TR000 is the molecule id; element = 'cl' means Chlorine; element = 'c' means Carbon; element = 'h' means Hydrogen; element = 'o' means Oxygen, element = 's' means Sulfur; element = 'n' means Nitrogen, element = 'p' means Phosphorus, element = 'na' means Sodium, element = 'br' means Bromine, element = 'f' means Fluorine; element = 'i' means Iodine; element = 'sn' means Tin; element = 'pb' means Lead; element = 'te' means Tellurium; element = 'ca' means Calcium

What are the atoms that are bonded in the molecule TR001 with the bond ID of TR001_2_6?

simple

toxicology

SELECT SUBSTR(T.bond_id, 1, 7) AS atom_id1 , T.molecule_id || SUBSTR(T.bond_id, 8, 2) AS atom_id2 FROM bond AS T WHERE T.molecule_id = 'TR001' AND T.bond_id = 'TR001_2_6'

TR001 is the molecule id; TR001_2_6 is the bond id

What is the difference between the number of molecules that are carcinogenic and those that are not?

moderate

toxicology

SELECT COUNT(CASE WHEN T.label = '+' THEN T.molecule_id ELSE NULL END) - COUNT(CASE WHEN T.label = '-' THEN T.molecule_id ELSE NULL END) AS diff_car_notcar FROM molecule t

label = '+' means molecules are carcinogenic; label = '-' means molecules are non-carcinogenic; difference = SUBTRACT(SUM(label = '+'), SUM(label = '-'))

What are the atom IDs of the bond TR_000_2_5?

simple

toxicology

SELECT T.atom_id FROM connected AS T WHERE T.bond_id = 'TR000_2_5'

TR_000_2_5 is the bond id

What are the bond IDs that have the same atom ID 2 of TR000_2?

simple

toxicology

SELECT T.bond_id FROM connected AS T WHERE T.atom_id2 = 'TR000_2'

TR000_2 is the atom id; atom ID 2 refers to atom_id2

Please list top five molecules that have double bonds in alphabetical order.

simple

toxicology

SELECT DISTINCT T.molecule_id FROM bond AS T WHERE T.bond_type = '=' ORDER BY T.molecule_id LIMIT 5

double bond refers to bond_type = ' = ';

What is the percentage of double bonds in the molecule TR008?

moderate

toxicology

SELECT CAST(COUNT(CASE WHEN T.bond_type = '=' THEN T.bond_id ELSE NULL END) AS REAL) * 100 / COUNT(T.bond_id) FROM bond AS T WHERE T.molecule_id = 'TR008'

double bond refers to bond_type = ' = '; TR008 is the molecule id; percentage = DIVIDE(SUM(bond_type = ' = '), COUNT(bond_id)) as percent where molecule_id = 'TR008'

What is the percentage of molecules that are carcinogenic?

simple

toxicology

SELECT CAST(COUNT(CASE WHEN T.label = '+' THEN T.molecule_id ELSE NULL END) AS REAL) * 100 / COUNT(T.molecule_id) FROM molecule t

label = '+' mean molecules are carcinogenic; percentage = DIVIDE(SUM(label = '+'), COUNT(molecule_id)) as percent

How much of the hydrogen in molecule TR206 is accounted for? Please provide your answer in percentage.

moderate

toxicology

SELECT CAST(COUNT(CASE WHEN T.element = 'h' THEN T.atom_id ELSE NULL END) AS REAL) * 100 / COUNT(T.atom_id) FROM atom AS T WHERE T.molecule_id = 'TR206'

hydrogen refers to element = 'h'; TR206 is the molecule id; percentage = DIVIDE(SUM(element = 'h'), COUNT(atom_id)) as percent where molecule_id = 'TR206'

What is the type of bond that molecule TR000 has when involved in any bonds?

simple

toxicology

SELECT DISTINCT T.bond_type FROM bond AS T WHERE T.molecule_id = 'TR000'

type of bond refers to bond_type; TR000 is the molecule id

What are the elements of the toxicology and label of molecule TR060?

challenging

toxicology

SELECT DISTINCT T1.element, T2.label FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.molecule_id = 'TR060'

TR060 is the molecule id; label = '+' mean molecules are carcinogenic; label = '-' means molecules are non-carcinogenic; element = 'cl' means Chlorine; element = 'c' means Carbon; element = 'h' means Hydrogen; element = 'o' means Oxygen, element = 's' means Sulfur; element = 'n' means Nitrogen, element = 'p' means Phosphorus, element = 'na' means Sodium, element = 'br' means Bromine, element = 'f' means Fluorine; element = 'i' means Iodine; element = 'sn' means Tin; element = 'pb' means Lead; element = 'te' means Tellurium; element = 'ca' means Calcium

Which bond type accounted for the majority of the bonds found in molecule TR018 and state whether or not this molecule is carcinogenic?

challenging

toxicology

SELECT T.bond_type FROM ( SELECT T1.bond_type, COUNT(T1.molecule_id) FROM bond AS T1 WHERE T1.molecule_id = 'TR018' GROUP BY T1.bond_type ORDER BY COUNT(T1.molecule_id) DESC LIMIT 1 ) AS T

TR018 is the molecule id; majority of the bond found refers to MAX(COUNT(bond_type)); label = '+' mean molecules are carcinogenic; label = '-' means molecules are non-carcinogenic

Please list top three molecules that have single bonds between two atoms and are not carcinogenic in alphabetical order.

moderate

toxicology

SELECT DISTINCT T2.molecule_id FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.bond_type = '-' AND T2.label = '-' ORDER BY T2.molecule_id LIMIT 3

label = '-' means molecules are not carcinogenic; single type bond refers to bond_type = '-'

Please list top two bonds that happened with the molecule TR006 in alphabetical order.

simple

toxicology

SELECT DISTINCT T2.bond_id FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id WHERE T1.molecule_id = 'TR006' ORDER BY T2.bond_id LIMIT 2

TR006 is the molecule id

How many bonds which involved atom 12 does molecule TR009 have?

moderate

toxicology

SELECT COUNT(T2.bond_id) FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id WHERE T1.molecule_id = 'TR009' AND T2.atom_id = T1.molecule_id || '_1' AND T2.atom_id2 = T1.molecule_id || '_2'

TR009 is the molecule id; molecule_id = 'TR009' means the bond_id LIKE 'TR009_%'; involved atom 12 refers to atom_id = 'TR009_12' or atom_id2 = 'TR009_12'

How many molecules are carcinogenic and have the bromine element?

simple

toxicology

SELECT COUNT(DISTINCT T2.molecule_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+' AND T1.element = 'br'

label = '+' mean molecules are carcinogenic; have bromine element refers to element = 'br'

What are the bond type and the atoms of the bond ID of TR001_6_9?

moderate

toxicology

SELECT T1.bond_type, T2.atom_id, T2.atom_id2 FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id WHERE T2.bond_id = 'TR001_6_9'

double bond refers to bond_type = ' = '; single bond refers to bond_type = '-'; triple bond refers to bond_type = '#'; atoms refer to atom_id or atom_id2

Which molecule does the atom TR001_10 belong to? Please state whether this molecule is carcinogenic or not.

moderate

toxicology

SELECT T2.molecule_id , IIF(T2.label = '+', 'YES', 'NO') AS flag_carcinogenic FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.atom_id = 'TR001_10'

TR001_10 is the atom id; label = '+' mean molecules are carcinogenic

How many molecules have a triple bond type?

simple

toxicology

SELECT COUNT(DISTINCT T.molecule_id) FROM bond AS T WHERE T.bond_type = '#'

triple bond refers to bond_type = '#';

How many connections does the atom 19 have?

simple

toxicology

SELECT COUNT(T.bond_id) FROM connected AS T WHERE SUBSTR(T.atom_id, -2) = '19'

connections refers to bond_id; atom 19 refers to atom_id like 'TR%_19';

List all the elements of the toxicology of the molecule "TR004".

challenging

toxicology

SELECT DISTINCT T.element FROM atom AS T WHERE T.molecule_id = 'TR004'

TR004 is the molecule id; element = 'cl' means Chlorine; element = 'c' means Carbon; element = 'h' means Hydrogen; element = 'o' means Oxygen, element = 's' means Sulfur; element = 'n' means Nitrogen, element = 'p' means Phosphorus, element = 'na' means Sodium, element = 'br' means Bromine, element = 'f' means Fluorine; element = 'i' means Iodine; element = 'sn' means Tin; element = 'pb' means Lead; element = 'te' means Tellurium; element = 'ca' means Calcium

How many of the molecules are not carcinogenic?

simple

toxicology

SELECT COUNT(T.molecule_id) FROM molecule AS T WHERE T.label = '-'

label = '-' means molecules are non-carcinogenic

Among all the atoms from 21 to 25, list all the molecules that are carcinogenic.

moderate

toxicology

SELECT DISTINCT T2.molecule_id FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE SUBSTR(T1.atom_id, -2) BETWEEN '21' AND '25' AND T2.label = '+'

atoms from 21 to 25 refers to SUBSTRING(atom_id, 7, 2) between 21 and 25; label = '+' mean molecules are carcinogenic

What are the bonds that have phosphorus and nitrogen as their atom elements?

moderate

toxicology

SELECT T2.bond_id FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id WHERE T2.bond_id IN ( SELECT T3.bond_id FROM connected AS T3 INNER JOIN atom AS T4 ON T3.atom_id = T4.atom_id WHERE T4.element = 'p' ) AND T1.element = 'n'

have phosphorus as atom elements refers to element = 'p'; have nitrogen as atom elements refers to element = 'n'

Is the molecule with the most double bonds carcinogenic?

moderate

toxicology

SELECT T1.label FROM molecule AS T1 INNER JOIN ( SELECT T.molecule_id, COUNT(T.bond_type) FROM bond AS T WHERE T.bond_type = '=' GROUP BY T.molecule_id ORDER BY COUNT(T.bond_type) DESC LIMIT 1 ) AS T2 ON T1.molecule_id = T2.molecule_id

double bond refers to bond_type = ' = '; label = '+' mean molecules are carcinogenic

What is the average number of bonds the atoms with the element iodine have?

moderate

toxicology

SELECT CAST(COUNT(T2.bond_id) AS REAL) / COUNT(T1.atom_id) FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id WHERE T1.element = 'i'

atoms with the element iodine refers to element = 'i'; average = DIVIDE(COUND(bond_id), COUNT(atom_id)) where element = 'i'

List the bond type and the bond ID of the atom 45.

moderate

toxicology

SELECT T1.bond_type, T1.bond_id FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id WHERE SUBSTR(T2.atom_id, 7, 2) = '45'

bond ID of atom 45 refers to SUBSTR(atom_id, 7, 2) + 0 = 45; double bond refers to bond_type = ' = '; single bond refers to bond_type = '-'; triple bond refers to bond_type = '#';

List all the elements of atoms that can not bond with any other atoms.

challenging

toxicology

SELECT DISTINCT T.element FROM atom AS T WHERE T.element NOT IN ( SELECT DISTINCT T1.element FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id )

element = 'cl' means Chlorine; element = 'c' means Carbon; element = 'h' means Hydrogen; element = 'o' means Oxygen, element = 's' means Sulfur; element = 'n' means Nitrogen, element = 'p' means Phosphorus, element = 'na' means Sodium, element = 'br' means Bromine, element = 'f' means Fluorine; element = 'i' means Iodine; element = 'sn' means Tin; element = 'pb' means Lead; element = 'te' means Tellurium; element = 'ca' means Calcium; atoms cannot bond with other atoms means atom_id NOT in connected table;

What are the atoms of the triple bond with the molecule "TR447"?

simple

toxicology

SELECT T2.atom_id, T2.atom_id2 FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id INNER JOIN bond AS T3 ON T2.bond_id = T3.bond_id WHERE T3.bond_type = '#' AND T3.molecule_id = 'TR447'

TR447 is the molecule id; triple bond refers to bond_type = '#';

What are the elements of the atoms of TR144_8_19?

challenging

toxicology

SELECT T2.element FROM connected AS T1 INNER JOIN atom AS T2 ON T1.atom_id = T2.atom_id WHERE T1.bond_id = 'TR144_8_19'

TR144_8_19 is the bond id; element = 'cl' means Chlorine; element = 'c' means Carbon; element = 'h' means Hydrogen; element = 'o' means Oxygen, element = 's' means Sulfur; element = 'n' means Nitrogen, element = 'p' means Phosphorus, element = 'na' means Sodium, element = 'br' means Bromine, element = 'f' means Fluorine; element = 'i' means Iodine; element = 'sn' means Tin; element = 'pb' means Lead; element = 'te' means Tellurium; element = 'ca' means Calcium

Of all the carcinogenic molecules, which one has the most double bonds?

moderate

toxicology

SELECT T.molecule_id FROM ( SELECT T3.molecule_id, COUNT(T1.bond_type) FROM bond AS T1 INNER JOIN molecule AS T3 ON T1.molecule_id = T3.molecule_id WHERE T3.label = '+' AND T1.bond_type = '=' GROUP BY T3.molecule_id ORDER BY COUNT(T1.bond_type) DESC LIMIT 1 ) AS T

label = '+' mean molecules are carcinogenic; double bond refers to bond_type = ' = ';

What is the least common element of all carcinogenic molecules?

moderate

toxicology

SELECT T.element FROM ( SELECT T2.element, COUNT(DISTINCT T2.molecule_id) FROM molecule AS T1 INNER JOIN atom AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.label = '+' GROUP BY T2.element ORDER BY COUNT(DISTINCT T2.molecule_id) LIMIT 1 ) t

label = '+' mean molecules are carcinogenic

What are the atoms that can bond with the atom that has the element lead?

simple

toxicology

SELECT T2.atom_id, T2.atom_id2 FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id WHERE T1.element = 'pb'

atom that has the element lead refers to atom_id where element = 'pb'

List the elements of all the triple bonds.

challenging

toxicology

SELECT DISTINCT T3.element FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id INNER JOIN atom AS T3 ON T2.atom_id = T3.atom_id WHERE T1.bond_type = '#'

triple bond refers to bond_type = '#'; element = 'cl' means Chlorine; element = 'c' means Carbon; element = 'h' means Hydrogen; element = 'o' means Oxygen, element = 's' means Sulfur; element = 'n' means Nitrogen, element = 'p' means Phosphorus, element = 'na' means Sodium, element = 'br' means Bromine, element = 'f' means Fluorine; element = 'i' means Iodine; element = 'sn' means Tin; element = 'pb' means Lead; element = 'te' means Tellurium; element = 'ca' means Calcium

What percentage of bonds have the most common combination of atoms' elements?

moderate

toxicology

SELECT CAST((SELECT COUNT(T1.atom_id) FROM connected AS T1 INNER JOIN bond AS T2 ON T1.bond_id = T2.bond_id GROUP BY T2.bond_type ORDER BY COUNT(T2.bond_id) DESC LIMIT 1 ) AS REAL) * 100 / ( SELECT COUNT(atom_id) FROM connected )

DIVIDE(COUNT(bond_id), COUNT(atom_id where MAX(COUNT(atom_id)) ))

What proportion of single bonds are carcinogenic?

moderate

toxicology

SELECT CAST(COUNT(CASE WHEN T2.label = '+' THEN T1.bond_id ELSE NULL END) AS REAL) * 100 / COUNT(T1.bond_id) FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.bond_type = '-'

single bond refers to bond_type = '-'; label = '+' mean molecules are carcinogenic; proportion = DIVIDE(SUM(label = '+'), COUNT(bond_id)) where bond_type = '-'

Calculate the total atoms consisting of the element carbon and hydrogen.

simple

toxicology

SELECT COUNT(T.atom_id) FROM atom AS T WHERE T.element = 'c' OR T.element = 'h'

consisting of element carbon and hydrogen refers to element in('c', 'h')

List down atom id2 for atoms with element sulfur.

simple

toxicology

SELECT DISTINCT T2.atom_id2 FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id WHERE T1.element = 's'

element sulfur refers to element = 's'

What are the bond type for atoms with element Tin?

moderate

toxicology

SELECT DISTINCT T3.bond_type FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id INNER JOIN bond AS T3 ON T3.bond_id = T2.bond_id WHERE T1.element = 'sn'

element Tin refers to element = 'sn'; double bond refers to bond_type = ' = '; single bond refers to bond_type = '-'; triple bond refers to bond_type = '#'

How many elements are there for single bond molecules?

simple

toxicology

SELECT COUNT(DISTINCT T.element) FROM ( SELECT DISTINCT T2.molecule_id, T1.element FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T3.bond_type = '-' ) AS T

single bond refers to bond_type = '-';

Calculate the total atoms with triple-bond molecules containing the element phosphorus or bromine.

moderate

toxicology

SELECT COUNT(T1.atom_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T3.bond_type = '#' AND T1.element IN ('p', 'br')

triple bond refers to bond_type = '#'; phosphorus refers to element = 'p'; bromine refers to element = 'br'

Write down bond id for molecules that are carcinogenic.

simple

toxicology

SELECT DISTINCT T1.bond_id FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+'

label = '+' mean molecules are carcinogenic

Among the single bond molecule id, which molecules are not carcinogenic?

simple

toxicology

SELECT DISTINCT T1.molecule_id FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '-' AND T1.bond_type = '-'

label = '-' means molecules are non-carcinogenic; single bond refers to bond_type = '-';

What is the composition of element chlorine in percentage among the single bond molecules?

challenging

toxicology

SELECT CAST(COUNT(CASE WHEN T.element = 'cl' THEN T.atom_id ELSE NULL END) AS REAL) * 100 / COUNT(T.atom_id) FROM ( SELECT T1.atom_id, T1.element FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T3.bond_type = '-' ) AS T

element chlorine refers to element = 'cl'; single bond refers to bond_type = '-'; percentage = DIVIDE(SUM(element = 'cl'), COUNT(atom_id)) as percent where bond_type = '-'

What are the labels for TR000, TR001 and TR002?

simple

toxicology

SELECT molecule_id, T.label FROM molecule AS T WHERE T.molecule_id IN ('TR000', 'TR001', 'TR002')

TR000, TR001 and TR002 are molecule id; label = '+' mean molecules are carcinogenic; label = '-' means molecules are non-carcinogenic

List down the molecule id for non carcinogenic molecules.

simple

toxicology

SELECT T.molecule_id FROM molecule AS T WHERE T.label = '-'

label = '-' means molecules are non-carcinogenic

Calculate the total carcinogenic molecules for molecule id from TR000 to TR030.

simple

toxicology

SELECT COUNT(T.molecule_id) FROM molecule AS T WHERE T.molecule_id BETWEEN 'TR000' AND 'TR030' AND T.label = '+'

label = '+' mean molecules are carcinogenic

List down the bond type for molecules from molecule id TR000 to TR050.

moderate

toxicology

SELECT T2.molecule_id, T2.bond_type FROM molecule AS T1 INNER JOIN bond AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.molecule_id BETWEEN 'TR000' AND 'TR050'

double bond refers to bond_type = ' = '; single bond refers to bond_type = '-'; triple bond refers to bond_type = '#';

What are the elements for bond id TR001_10_11?

challenging

toxicology

SELECT T2.element FROM connected AS T1 INNER JOIN atom AS T2 ON T1.atom_id = T2.atom_id WHERE T1.bond_id = 'TR001_10_11'

element = 'cl' means Chlorine; element = 'c' means Carbon; element = 'h' means Hydrogen; element = 'o' means Oxygen, element = 's' means Sulfur; element = 'n' means Nitrogen, element = 'p' means Phosphorus, element = 'na' means Sodium, element = 'br' means Bromine, element = 'f' means Fluorine; element = 'i' means Iodine; element = 'sn' means Tin; element = 'pb' means Lead; element = 'te' means Tellurium; element = 'ca' means Calcium

How many bond id have element iodine?

simple

toxicology

SELECT COUNT(T3.bond_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T1.element = 'i'

iodine refers to element = 'i'

Among the molecules with element Calcium, are they mostly carcinogenic or non carcinogenic?

moderate

toxicology

SELECT T2.label FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element = 'ca' GROUP BY T2.label ORDER BY COUNT(T2.label) DESC LIMIT 1

calcium refers to element = 'ca'; label = '+' mean molecules are carcinogenic; label = '-' means molecules are non-carcinogenic; MAX(label)

Does bond id TR001_1_8 have both element of chlorine and carbon?

simple

toxicology

SELECT T2.bond_id, T2.atom_id2, T1.element AS flag_have_CaCl FROM atom AS T1 INNER JOIN connected AS T2 ON T2.atom_id = T1.atom_id WHERE T2.bond_id = 'TR001_1_8' AND (T1.element = 'c1' OR T1.element = 'c')

chlorine refers to element = 'cl'; carbon refers to element = 'c'

List down two molecule id of triple bond non carcinogenic molecules with element carbon.

moderate

toxicology

SELECT DISTINCT T2.molecule_id FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T3.bond_type = '#' AND T1.element = 'c' AND T2.label = '-'

carbon refers to element = 'c'; triple bond refers to bond_type = '#'; label = '-' means molecules are non-carcinogenic

What is the percentage of element chlorine in carcinogenic molecules?

moderate

toxicology

SELECT CAST(COUNT( CASE WHEN T1.element = 'cl' THEN T1.element ELSE NULL END) AS REAL) * 100 / COUNT(T1.element) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+'

chlorine refers to element = 'cl'; label = '+' mean molecules are carcinogenic; percentage = DIVIDE(SUM(element = 'pb'); COUNT(molecule_id)) as percentage where label = '+'

List the toxicology elements associated with molecule TR001.

simple

toxicology

SELECT DISTINCT T.element FROM atom AS T WHERE T.molecule_id = 'TR001'

TR001 is the molecule id

Give me the molecule ID of the double bond type.

simple

toxicology

SELECT DISTINCT T.molecule_id FROM bond AS T WHERE T.bond_type = '='

double bond refers to bond_type = ' = ';

Write down the atom IDs of the first and second atoms of triple bond type molecules.

simple

toxicology

SELECT T2.atom_id, T2.atom_id2 FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id WHERE T1.bond_type = '#'

first atom refers to atom_id; second atom refers to atom_id2; triple bond refers to bond_type = '#';

What are the toxicology elements associated with bond ID TR005_16_26?

challenging

toxicology

SELECT T1.element FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id WHERE T2.bond_id = 'TR005_16_26'

element = 'cl' means Chlorine; element = 'c' means Carbon; element = 'h' means Hydrogen; element = 'o' means Oxygen, element = 's' means Sulfur; element = 'n' means Nitrogen, element = 'p' means Phosphorus, element = 'na' means Sodium, element = 'br' means Bromine, element = 'f' means Fluorine; element = 'i' means Iodine; element = 'sn' means Tin; element = 'pb' means Lead; element = 'te' means Tellurium; element = 'ca' means Calcium

How many of the single bond type molecules are non-carcinogenic?

simple

toxicology

SELECT COUNT(DISTINCT T2.molecule_id) FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '-' AND T1.bond_type = '-'

label = '-' means molecules are non-carcinogenic; single bond refers to bond_type = '-';

What is the label for bond ID TR001_10_11?

simple

toxicology

SELECT T2.label FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.bond_id = 'TR001_10_11'

label = '+' mean molecules are carcinogenic; label = '-' means molecules are non-carcinogenic

Enumerate the bond ID of triple bond type molecules and tell me if they are carcinogenic or not.

moderate

toxicology

SELECT DISTINCT T1.bond_id, T2.label FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.bond_type = '#'

triple bond refers to bond_type = '#'; label = '+' mean molecules are carcinogenic; label = '-' means molecules are non-carcinogenic

Tally the toxicology element of the 4th atom of each molecule that was carcinogenic.

challenging

toxicology

SELECT DISTINCT T1.element FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+' AND SUBSTR(T1.atom_id, -1) = '4' AND LENGTH(T1.atom_id) = 7

label = '+' means molecules are carcinogenic; 4th atom of each molecule refers to substr(atom_id, 7, 1) = 4; element = 'cl' means Chlorine; element = 'c' means Carbon; element = 'h' means Hydrogen; element = 'o' means Oxygen, element = 's' means Sulfur; element = 'n' means Nitrogen, element = 'p' means Phosphorus, element = 'na' means Sodium, element = 'br' means Bromine, element = 'f' means Fluorine; element = 'i' means Iodine; element = 'sn' means Tin; element = 'pb' means Lead; element = 'te' means Tellurium; element = 'ca' means Calcium

What is the ratio of Hydrogen elements in molecule ID TR006? Please indicate its label.

challenging

toxicology

SELECT CAST(COUNT(CASE WHEN T.element = 'h' THEN T.atom_id ELSE NULL END) AS REAL) / COUNT(T.atom_id) FROM ( SELECT DISTINCT T1.atom_id, T1.element, T1.molecule_id, T2.label FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.molecule_id = 'TR006' ) AS T UNION ALL SELECT DISTINCT T3.label FROM ( SELECT DISTINCT T1.atom_id, T1.element, T1.molecule_id, T2.label FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.molecule_id = 'TR006' ) AS T3

hydrogen refers to element = 'h'; ratio = DIVIDE(SUM(element = 'h'), count(element)) where molecule_id = 'TR006' ; label = '+' mean molecules are carcinogenic; label = '-' means molecules are non-carcinogenic

Identify whether the chemical compound that contains Calcium is carcinogenic.

moderate

toxicology

SELECT T2.label AS flag_carcinogenic FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element = 'ca'

calcium refers to element = 'ca'; label = '+' mean molecules are carcinogenic; label = '-' means molecules are non-carcinogenic;

Determine the bond type that is formed in the chemical compound containing element Tellurium.

moderate

toxicology

SELECT DISTINCT T2.bond_type FROM atom AS T1 INNER JOIN bond AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element = 'te'

Tellurium refers to element = 'te'; double bond refers to bond_type = ' = '; single bond refers to bond_type = '-'; triple bond refers to bond_type = '#';

Name chemical elements that form a bond TR001_10_11.

challenging

toxicology

SELECT T1.element FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id INNER JOIN bond AS T3 ON T2.bond_id = T3.bond_id WHERE T3.bond_id = 'TR001_10_11'

element = 'cl' means Chlorine; element = 'c' means Carbon; element = 'h' means Hydrogen; element = 'o' means Oxygen, element = 's' means Sulfur; element = 'n' means Nitrogen, element = 'p' means Phosphorus, element = 'na' means Sodium, element = 'br' means Bromine, element = 'f' means Fluorine; element = 'i' means Iodine; element = 'sn' means Tin; element = 'pb' means Lead; element = 'te' means Tellurium; element = 'ca' means Calcium; TR001_10_11 is the bond id; molecule id refers to SUBSTR(bond_id, 1, 5); atom 1 refers to SUBSTR(bond_id, 7, 2); atom 2 refers to SUBSTR(bond_id, 10, 2)

Among all chemical compounds identified in the database, what percent of compounds form a triple-bond.

simple

toxicology

SELECT CAST(COUNT(CASE WHEN T.bond_type = '#' THEN T.bond_id ELSE NULL END) AS REAL) * 100 / COUNT(T.bond_id) FROM bond AS T

triple bond refers to bond_type = '#';

Among all chemical compounds that contain molecule TR047, identify the percent that form a double-bond.

moderate

toxicology

SELECT CAST(COUNT(CASE WHEN T.bond_type = '=' THEN T.bond_id ELSE NULL END) AS REAL) * 100 / COUNT(T.bond_id) FROM bond AS T WHERE T.molecule_id = 'TR047'

TR047 is the molecule id; double bond refers to bond_type = ' = '; percentage = DIVIDE(SUM(bond_type = ' = '), COUNT(all bond_id)) as percent where molecule_id = 'TR047'

Identify whether the molecule that contains atom TR001_1 is carcinogenic.

simple

toxicology

SELECT T2.label AS flag_carcinogenic FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.atom_id = 'TR001_1'

label = '+' mean molecules are carcinogenic;

Is molecule TR151 carcinogenic?

simple

toxicology

SELECT T.label FROM molecule AS T WHERE T.molecule_id = 'TR151'

label = '+' mean molecules are carcinogenic;

Which toxic element can be found in the molecule TR151?

challenging

toxicology

SELECT DISTINCT T.element FROM atom AS T WHERE T.molecule_id = 'TR151'

element = 'cl' means Chlorine; element = 'c' means Carbon; element = 'h' means Hydrogen; element = 'o' means Oxygen, element = 's' means Sulfur; element = 'n' means Nitrogen, element = 'p' means Phosphorus, element = 'na' means Sodium, element = 'br' means Bromine, element = 'f' means Fluorine; element = 'i' means Iodine; element = 'sn' means Tin; element = 'pb' means Lead; element = 'te' means Tellurium; element = 'ca' means Calcium

How many chemical compounds in the database are identified as carcinogenic.

simple

toxicology

SELECT COUNT(T.molecule_id) FROM molecule AS T WHERE T.label = '+'

label = '+' mean molecules are carcinogenic;

Identify the atoms belong to the molecule with ID between TR010 to TR050 that contain the element carbon.

simple

toxicology

SELECT T.atom_id FROM atom AS T WHERE T.molecule_id BETWEEN 'TR010' AND 'TR050' AND T.element = 'c'

carbon refers to element = 'c'; between TR010 to TR050 refers to substr(molecule_id, 3, 3)>10 AND substr(molecule_id, 3, 3) < 50

How many atoms belong to the molecule labeled with carcinogenic compounds?

simple

toxicology

SELECT COUNT(T1.atom_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+'

label = '+' mean molecules are carcinogenic;

Which bond ids are double-bond with carcinogenic compound?

simple

toxicology

SELECT T1.bond_id FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+' AND T1.bond_type = '='

label = '+' mean molecules are carcinogenic; double bond refers to bond_type = ' = ';

How many atoms belong to the molecule that element is hydrogen and labeled with carcinogenic compound?

simple

toxicology

SELECT COUNT(T1.atom_id) AS atomnums_h FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+' AND T1.element = 'h'

label = '+' mean molecules are carcinogenic; hydrogen refers to element = h'

Indicate the molecule id is belonging to the TR00_1_2 bond that has the first atom named TR00_1.

simple

toxicology

SELECT T2.molecule_id, T2.bond_id, T1.atom_id FROM connected AS T1 INNER JOIN bond AS T2 ON T1.bond_id = T2.bond_id WHERE T1.atom_id = 'TR000_1' AND T2.bond_id = 'TR000_1_2'

Among the atoms that contain element carbon, which one does not contain compound carcinogenic?

simple

toxicology

SELECT T1.atom_id FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element = 'c' AND T2.label = '-'

label = '-' means molecules are non-carcinogenic; carbon refers to element = 'c'

Calculate the percentage of molecules containing carcinogenic compounds that element is hydrogen.

moderate

toxicology

SELECT CAST(COUNT(CASE WHEN T1.element = 'h' THEN T2.molecule_id ELSE NULL END) AS REAL) * 100 / COUNT(T2.molecule_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+'

hydrogen refers to element = 'h'; label = '+' mean molecules are carcinogenic; percentage = DIVIDE(SUM(label = '+' and element = 'h'), COUNT(molecule_id)) * 100.0

Is molecule TR124 carcinogenic?

simple

toxicology

SELECT T.label FROM molecule AS T WHERE T.molecule_id = 'TR124'

label = '+' mean molecules are carcinogenic;