Male Rats

< Example >

active/1
	arg 1: molecule ID
We constructed positive examples from "CE", "SE" and "P", and
negative examples from "NE" and "N".

inactive/1
	arg 1: molecule ID
We constructed positive examples from "NE" and "N", and
negative examples from "CE", "SE", and "P". 


< Background Knowledge >

atom/4
	arg 1: molecule ID
	arg 2: atom ID (only unique within one molecule)
	arg 3: atom element
	arg 4: atom charge

FUNCTIONAL GROUPS:
==================

% C    Carbon atom 
% H/C  Hydrogen or Carbon atom
% -    Single bond
% =    Double bond
% =3=  Triple bond

%  C-N=O
%    |
%    O	
nitro(Mol, C).

%  C-X
halide(Mol, C, HType).
	
%            -
%  C-OH   C-O
alcohol(Mol, C).

%  C1-O-C2
ether(Mol, C1, C2).
	
%  A-CH3
methyl(Mol, A, C).

%  C1-C2 (not on aromatic ring)
alkane(Mol, C1, C2).

%  C1=C2 (not on aromatic ring)
alkene(Mol, C1, C2).

fg_distance/3
	arg 1: molecule identifier
	arg 2: total number of functional groups in molecule
	arg 3: sum of minimal distances between each fuctional group
	       in molecule

fg_number/31
	fg_number(Mol, Aromatic, Ring, Alkane, Alkene, Alkyne, Amine,
	Carbonyl, Ester, CarboxylicAcid, Anhydrid, Amide, AlkylHalide, Halide,
	Aldehyde, Ketone, Alcohol, Thiol, Ether, ThioEther, Fenol, AmineSalt,
	Imine, Nitrile, Iso_Cyanate, Nitro, Acetale, SulfonicAcid,
	SulfonicAmide, PhosphateEster, PhosphorAmidate).
This predicate contains for each functional group how often they occur
in each molecule.

number_of/3
	arg 1: functional group
	arg 2: molecule ID
	arg 3: how often arg 1 occurs in each molecule

number_of(aromatic,A,B) <--
	fg_number(A,B,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(ring,A,B) <--
	fg_number(A,_,B,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(alkane,A,B) <--
	fg_number(A,_,_,B,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(alkene,A,B) <--
	fg_number(A,_,_,_,B,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(alkyne,A,B) <--
	fg_number(A,_,_,_,_,B,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(amine,A,B) <--
	fg_number(A,_,_,_,_,_,B,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(carbonyl,A,B) <--
	fg_number(A,_,_,_,_,_,_,B,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(ester,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,B,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(carboxylicacid,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,B,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(anhydrid,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,B,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(amide,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,B,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(alkylhalide,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,B,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(halide,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,B,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(aldehyde,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,_,B,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(ketone,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,_,_,B,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(alcohol,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,B,_,_,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(thiol,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,B,_,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(ether,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,B,_,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(thioether,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,B,_,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(fenol,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,B,_,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(aminesalt,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,B,_,_,_,_,_,_,_,_,_),
	B > 0.
number_of(imine,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,B,_,_,_,_,_,_,_,_),
	B > 0.
number_of(nitrile,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,B,_,_,_,_,_,_,_),
	B > 0.
number_of(iso_cyanate,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,B,_,_,_,_,_,_),
	B > 0.
number_of(nitro,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,B,_,_,_,_,_),
	B > 0.
number_of(acetale,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,B,_,_,_,_),
	B > 0.
number_of(sulfonicacid,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,B,_,_,_),
	B > 0.
number_of(sulfonicamide,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,B,_,_),
	B > 0.
number_of(phosphateester,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,B,_),
	B > 0.
number_of(phosphoramidate,A,B) <--
	fg_number(A,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,_,B),
	B > 0.


< Rule >

rule/2
	arg 1: active(A) or inactive(A)
	arg 2: ratio (Ratio is the maximum fraction of the numbers
	       of positive and negative examples.)

< active >

%%% {21,5} %%%
rule(active(A),20) <--
       atom(A, B, o, 0), atom(A, C, n, 0), number_of(aromatic, A, 2).

%%% {14,2} %%%
rule(active(A),20) <--
       atom(A, B, br, 0).

%%% {4,0} %%%
rule(active(A),20) <--
       number_of(ether, A, 1), number_of(alkene, A, 2).

%%% {3,0} %%%
rule(active(A),20) <--
       atom(A, B, c, 0), atom(A, C, c, 0), alkane(A, C, B, C), number_of(halide, A, 2), number_of(alkane, A, 1).

%%% {16,4} %%%
rule(active(A),20) <--
       number_of(ether, A, 1), number_of(ring, A, 1).

%%% {4,1} %%%
rule(active(A),20) <--
       atom(A, B, c, 0), atom(A, C, c, 0), atom(A, D, c, 0), halide(A, D, D, cl), number_of(aromatic, A, 1).

%%% {3,0} %%%
rule(active(A),20) <--
       atom(A, B, o, -1), number_of(fenol, A, 1), number_of(aromatic, A, 1).

%%% {4,1} %%%
rule(active(A),20) <--
       number_of(ring, A, 6).

%%% {6,1} %%%
rule(active(A),20) <--
       atom(A, B, c, 0), atom(A, C, c, 0), methyl(A, C, C, B), number_of(alkene, A, 1).

%%% {4,1} %%%
rule(active(A),20) <--
       atom(A, B, o, 0), atom(A, C, c, 0), atom(A, D, c, 0), ether(A, B, C, D), number_of(ring, A, 3).

%%% {3,0} %%%
rule(active(A),20) <--
       atom(A, B, c, 0), atom(A, C, o, 0), alcohol(A, B, B), number_of(ring, A, 1).

%%% {3,0} %%%
rule(active(A),20) <--
       atom(A, B, cl, 0), number_of(halide, A, 3), number_of(alkane, A, 2).

%%% {4,1} %%%
rule(active(A),20) <--
       atom(A, B, c, 0), atom(A, C, o, -1), nitro(A, C, B), fg_distance(A, D, _), D >= 4.

%%% {3,0} %%%
rule(active(A),20) <--
       atom(A, B, s, 0), fg_distance(A, C, _), C >= 20.

%%% {7,0} %%%
rule(active(A),20) <--
       atom(A, B, o, 0), atom(A, C, c, 0), atom(A, D, c, 0), ether(A, B, C, D), number_of(ring, A, 1).

%%% {5,2} %%%
rule(active(A),40) <--
       number_of(ketone, A, 1), number_of(carbonyl, A, 1).

%%% {29,10} %%%
rule(active(A),40) <--
       atom(A, B, n, 0), number_of(aromatic, A, 2).

%%% {27,18} %%%
rule(active(A),40) <--
       atom(A, B, o, 0), number_of(aromatic, A, 2).

%%% {5,2} %%%
rule(active(A),40) <--
       atom(A, B, o, -1), atom(A, C, c, 0), nitro(A, B, C).

%%% {19,12} %%%
rule(active(A),40) <--
       number_of(ring, A, 3).

%%% {5,3} %%%
rule(active(A),40) <--
       number_of(imine, A, 1).

%%% {6,4} %%%
rule(active(A),40) <--
       number_of(alkane, A, 2), number_of(ring, A, 2).

%%% {6,2} %%%
rule(active(A),40) <--
       atom(A, B, n, 0), atom(A, C, c, 0), atom(A, D, c, 0), methyl(A, C, C, D).

%%% {4,2} %%%
rule(active(A),40) <--
       fg_distance(A, _, B), B >= 1074.53925568133, number_of(ester, A, 2).

%%% {5,3} %%%
rule(active(A),40) <--
       atom(A, B, c, 0), atom(A, C, c, 0), atom(A, D, n, 0), alkene(A, C, B, C).

%%% {16,7} %%%
rule(active(A),40) <--
       atom(A, B, c, 0), atom(A, C, c, 0), atom(A, D, h, 0), methyl(A, C, C, B).

%%% {3,1} %%%
rule(active(A),40) <--
       atom(A, B, c, 0), atom(A, C, c, 0), atom(A, D, c, 0), alkene(A, D, B, D), number_of(alkane, A, 1).

%%% {3,2} %%%
rule(active(A),40) <--
       atom(A, B, h, 0), number_of(halide, A, 5).

%%% {3,2} %%%
rule(active(A),40) <--
       atom(A, B, c, 0), atom(A, C, c, 0), atom(A, D, cl, 0), alkene(A, D, B, C), number_of(alkene, A, 1).

%%% {3,2} %%%
rule(active(A),40) <--
       fg_distance(A, B, _), B >= 38.

%%% {3,1} %%%
rule(active(A),40) <--
       number_of(ester, A, 1), number_of(alkane, A, 3).


< inactive >

%%% {8,0} %%%
rule(inactive(A),0) <--
       atom(A, B, s, 0), number_of(phosphateester, A, 1).

%%% {5,0} %%%
rule(inactive(A),0) <--
       fg_distance(A, _, B), B >= 413.999912454714, number_of(ring, A, 4).

%%% {4,0} %%%
rule(inactive(A),0) <--
       fg_distance(A, B, C), C >= 348.005856760719, B >= 23, number_of(ring, A, 4).

%%% {3,0} %%%
rule(inactive(A),0) <--
       number_of(carbonyl, A, 4).

%%% {3,0} %%%
rule(inactive(A),0) <--
       number_of(alkene, A, 1), number_of(ring, A, 7).

%%% {5,0} %%%
rule(inactive(A),0) <--
       atom(A, B, s, 0), number_of(carbonyl, A, 2).

%%% {3,0} %%%
rule(inactive(A),0) <--
       atom(A, B, cl, 0), atom(A, C, h, 0), fg_distance(A, D, _), D >= 35.

%%% {5,0} %%%
rule(inactive(A),0) <--
       atom(A, B, cl, 0), atom(A, C, h, 0), fg_distance(A, _, D), D >= 58.5483131494649, number_of(ring, A, 1).

%%% {5,0} %%%
rule(inactive(A),0) <--
       atom(A, B, cl, 0), atom(A, C, o, 0), number_of(alkane, A, 1).

%%% {8,0} %%%
rule(inactive(A),0) <--
       atom(A, B, s, 0), fg_distance(A, C, _), C >= 7, number_of(aromatic, A, 1).

%%% {3,0} %%%
rule(inactive(A),0) <--
       atom(A, B, n, 0), number_of(halide, A, 3).

%%% {7,0} %%%
rule(inactive(A),0) <--
       atom(A, B, cl, 0), atom(A, C, h, 0), fg_distance(A, D, _), D >= 10, number_of(ring, A, 2).

%%% {10,0} %%%
rule(inactive(A),0) <--
       atom(A, B, s, 0), fg_distance(A, C, _), C >= 6, number_of(aromatic, A, 1).

%%% {6,0} %%%
rule(inactive(A),0) <--
       atom(A, B, s, 0), fg_distance(A, _, C), C >= 39.7919366988396, number_of(ring, A, 1).

%%% {5,0} %%%
rule(inactive(A),0) <--
       atom(A, B, n, 1), atom(A, C, cl, 0).

%%% {7,0} %%%
rule(inactive(A),0) <--
       atom(A, B, cl, 0), atom(A, C, h, 0), fg_distance(A, _, D), D >= 46.0924735029922, number_of(aromatic, A, 1).

%%% {14,0} %%%
rule(inactive(A),0) <--
       atom(A, B, s, 0), fg_distance(A, _, C), C >= 2.4745746866886, number_of(aromatic, A, 1).

%%% {11,0} %%%
rule(inactive(A),0) <--
       atom(A, B, s, 0), atom(A, C, o, 0), fg_distance(A, _, D), D >= 1.28810001552674, number_of(ring, A, 1).

%%% {4,0} %%%
rule(inactive(A),0) <--
       atom(A, B, cl, 0), fg_distance(A, C, _), C >= 3, number_of(ring, A, 2), number_of(aromatic, A, 1).

%%% {5,0} %%%
rule(inactive(A),0) <--
       atom(A, B, n, 0), atom(A, C, n, 1), number_of(alkane, A, 1).

%%% {3,0} %%%
rule(inactive(A),0) <--
       number_of(acetale, A, 1).

%%% {3,0} %%%
rule(inactive(A),0) <--
       atom(A, B, cl, 0), fg_distance(A, C, _), C >= 7, number_of(halide, A, 2), number_of(aromatic, A, 2).

%%% {5,0} %%%
rule(inactive(A),0) <--
       atom(A, B, n, 1), number_of(carbonyl, A, 1).

%%% {4,0} %%%
rule(inactive(A),0) <--
       atom(A, B, o, 0), number_of(thioether, A, 1).

%%% {5,0} %%%
rule(inactive(A),0) <--
       atom(A, B, cl, 0), atom(A, C, n, 0), number_of(alkane, A, 1).

%%% {3,0} %%%
rule(inactive(A),0) <--
       number_of(amide, A, 2).

%%% {7,0} %%%
rule(inactive(A),0) <--
       atom(A, B, n, 1), number_of(amine, A, 2).

%%% {3,0} %%%
rule(inactive(A),0) <--
       atom(A, B, na, 0), fg_distance(A, C, _), C >= 2, number_of(alkane, A, 2).

%%% {6,0} %%%
rule(inactive(A),0) <--
       atom(A, B, cl, 0), atom(A, C, h, 0), fg_distance(A, D, E), E >= 28.3785816011262, D >= 8, number_of(ring, A, 1).

%%% {4,0} %%%
rule(inactive(A),0) <--
       atom(A, B, na, 0), number_of(aromatic, A, 2).

%%% {8,0} %%%
rule(inactive(A),0) <--
       atom(A, B, cl, 0), atom(A, C, n, 0), atom(A, D, h, 0), fg_distance(A, E, _), E >= 5, number_of(aromatic, A, 1).

%%% {3,0} %%%
rule(inactive(A),0) <--
       atom(A, B, o, 0), number_of(alkane, A, 11).

%%% {9,0} %%%
rule(inactive(A),0) <--
       atom(A, B, o, 0), fg_distance(A, _, C), C >= 111.560757054469, number_of(alkane, A, 5).

%%% {4,0} %%%
rule(inactive(A),0) <--
       atom(A, B, n, 0), fg_distance(A, _, C), C >= 98.2308871691867, number_of(alkane, A, 5).

%%% {7,0} %%%
rule(inactive(A),0) <--
       atom(A, B, cl, 0), atom(A, C, h, 0), fg_distance(A, D, _), D >= 29.

%%% {5,0} %%%
rule(inactive(A),0) <--
       atom(A, B, n, 0), number_of(alcohol, A, 1).

%%% {9,0} %%%
rule(inactive(A),0) <--
       atom(A, B, n, 0), fg_distance(A, C, _), C >= 4, number_of(carbonyl, A, 1), number_of(alkane, A, 1).

%%% {3,0} %%%
rule(inactive(A),0) <--
       atom(A, B, cl, 0), atom(A, C, o, 0), fg_distance(A, D, _), D >= 4, number_of(halide, A, 2), number_of(aromatic, A, 1).

%%% {5,0} %%%
rule(inactive(A),0) <--
       atom(A, B, o, 0), atom(A, C, cl, 0), number_of(alkane, A, 2).

%%% {4,0} %%%
rule(inactive(A),0) <--
       atom(A, B, s, 0), atom(A, C, cl, 0), number_of(ring, A, 2).

%%% {31,7} %%%
rule(inactive(A),20) <--
       atom(A, B, o, 0), atom(A, C, s, 0).

%%% {9,1} %%%
rule(inactive(A),20) <--
       fg_distance(A, _, B), B >= 413.999912454714, number_of(alkene, A, 1).

%%% {9,2} %%%
rule(inactive(A),20) <--
       atom(A, B, cl, 0), atom(A, C, h, 0), fg_distance(A, D, _), D >= 23.

%%% {15,3} %%%
rule(inactive(A),20) <--
       atom(A, B, cl, 0), fg_distance(A, C, _), C >= 4, number_of(halide, A, 2).

%%% {13,3} %%%
rule(inactive(A),20) <--
       atom(A, B, o, 0), number_of(alkane, A, 5).

%%% {20,5} %%%
rule(inactive(A),20) <--
       atom(A, B, cl, 0), atom(A, C, h, 0), fg_distance(A, _, D), D >= 97.9749119736475.

%%% {6,1} %%%
rule(inactive(A),20) <--
       atom(A, B, cl, 0), fg_distance(A, C, _), C >= 8, number_of(aromatic, A, 1).

%%% {51,12} %%%
rule(inactive(A),20) <--
       atom(A, B, o, 0), fg_distance(A, C, _), C >= 5, number_of(aromatic, A, 1).

%%% {25,6} %%%
rule(inactive(A),20) <--
       fg_distance(A, _, B), B >= 39.7919366988396, number_of(ring, A, 1).

%%% {37,9} %%%
rule(inactive(A),20) <--
       atom(A, B, o, 0), fg_distance(A, _, C), C >= 14.7359376349759, number_of(ring, A, 1).

%%% {8,1} %%%
rule(inactive(A),20) <--
       fg_distance(A, _, B), B >= 358.762605622107, number_of(ring, A, 2).

%%% {12,3} %%%
rule(inactive(A),20) <--
       atom(A, B, cl, 0), atom(A, C, h, 0), number_of(alkane, A, 1).

%%% {4,1} %%%
rule(inactive(A),20) <--
       atom(A, B, cl, 0), fg_distance(A, C, D), D >= 13.77, C >= 7, number_of(alkane, A, 1).

%%% {15,1} %%%
rule(inactive(A),20) <--
       atom(A, B, cl, 0), fg_distance(A, C , _), C >= 3, number_of(ring, A, 2).

%%% {7,1} %%%
rule(inactive(A),20) <--
       atom(A, B, n, 1), number_of(alkane, A, 1).

%%% {12,3} %%%
rule(inactive(A),20) <--
       atom(A, B, n, 0), atom(A, C, cl, 0), fg_distance(A, D, _), D >= 4, number_of(aromatic, A, 1).

%%% {5,1} %%%
rule(inactive(A),20) <--
       atom(A, B, n, 1), number_of(ring, A, 2).

%%% {13,3} %%%
rule(inactive(A),20) <--
       atom(A, B, o, 0), atom(A, C, c, 0), atom(A, D, c, 0), alkane(A, D, C, D), fg_distance(A, _, E), E >= 404.58219170767.

%%% {5,1} %%%
rule(inactive(A),20) <--
       fg_distance(A, _, B), B >= 10.3578885333367, number_of(aromatic, A, 3).

%%% {15,1} %%%
rule(inactive(A),20) <--
       atom(A, B, s, 0), number_of(aromatic, A, 1).

%%% {25,5} %%%
rule(inactive(A),20) <--
       atom(A, B, s, 0), fg_distance(A, _, C), C >= 38.6301116646867.

%%% {10,2} %%%
rule(inactive(A),20) <--
       atom(A, B, n, 0), fg_distance(A, C, _), C >= 5, number_of(alkane, A, 1).

%%% {52,13} %%%
rule(inactive(A),20) <--
       atom(A, B, o, 0), fg_distance(A, _, C), C >= 6.56530946635519, number_of(aromatic, A, 1).

%%% {5,1} %%%
rule(inactive(A),20) <--
       atom(A, B, s, 0), fg_distance(A, _, C), C >= 2.53749772216647, number_of(alkane, A, 2).

%%% {26,6} %%%
rule(inactive(A),20) <--
       atom(A, B, cl, 0), atom(A, C, h, 0), fg_distance(A, D, E), E >= 28.3785816011262, D >= 8.

%%% {5,1} %%%
rule(inactive(A),20) <--
       atom(A, B, cl, 0), fg_distance(A, C, _), C >= 3, number_of(halide, A, 2), number_of(aromatic, A, 1).

%%% {12,1} %%%
rule(inactive(A),20) <--
       fg_distance(A, B, _), B >= 4, number_of(carbonyl, A, 1), number_of(alkane, A, 1).

%%% {38,9} %%%
rule(inactive(A),20) <--
       atom(A, B, o, 0), fg_distance(A, C, D), D >= 3.00527875139338, C >= 6, number_of(ring, A, 1).

%%% {8,2} %%%
rule(inactive(A),20) <--
       atom(A, B, o, 0), atom(A, C, cl, 0), fg_distance(A, D, _), D >= 4, number_of(halide, A, 1).

%%% {4,1} %%%
rule(inactive(A),20) <--
       fg_distance(A, B, _), B >= 5, number_of(amine, A, 1), number_of(alkane, A, 2).

%%% {10,1} %%%
rule(inactive(A),20) <--
       fg_distance(A, B, _), B >= 6, number_of(alcohol, A, 1).

%%% {14,6} %%%
rule(inactive(A),30) <--
       atom(A, B, cl, 0), atom(A, C, h, 0), number_of(alkene, A, 1).

%%% {40,15} %%%
rule(inactive(A),30) <--
       atom(A, B, s, 0).

%%% {14,5} %%%
rule(inactive(A),30) <--
       atom(A, B, h, 0), fg_distance(A, C, D), D >= 348.005856760719, C >= 23.

%%% {27,10} %%%
rule(inactive(A),30) <--
       atom(A, B, h, 0), fg_distance(A, C, D), D >= 343.59032871244, C >= 15.

%%% {33,12} %%%
rule(inactive(A),30) <--
       atom(A, B, o, 0), atom(A, C, cl, 0).

%%% {66,26} %%%
rule(inactive(A),30) <--
       atom(A, B, o, 0), number_of(aromatic, A, 1).

%%% {18,5} %%%
rule(inactive(A),30) <--
       atom(A, B, cl, 0), fg_distance(A, C, _), C >= 3, number_of(halide, A, 2).

%%% {34,14} %%%
rule(inactive(A),30) <--
       atom(A, B, cl, 0), fg_distance(A, C, D), D >= 13.77, C >= 7.

%%% {49,19} %%%
rule(inactive(A),30) <--
       atom(A, B, cl, 0), atom(A, C, h, 0), fg_distance(A, D, E), E >= 3.05992082250505, D >= 4.

%%% {15,4} %%%
rule(inactive(A),30) <--
       atom(A, B, o, 0), atom(A, C, c, 0), atom(A, D, c, 0), alkane(A, B, C, D), number_of(ring, A, 2).

%%% {12,5} %%%
rule(inactive(A),30) <--
       number_of(carboxylicacid, A, 1).

%%% {66,27} %%%
rule(inactive(A),30) <--
       fg_distance(A, _, B), B >= 6.0457016973444, number_of(aromatic, A, 1).

%%% {15,5} %%%
rule(inactive(A),30) <--
       fg_distance(A, B, _), B >= 5, number_of(alkane, A, 1).

%%% {14,4} %%%
rule(inactive(A),30) <--
       fg_distance(A, B, _), B >= 8, number_of(alkane, A, 5).

%%% {73,30} %%%
rule(inactive(A),30) <--
       fg_distance(A, B, C), C >= 2.76960000180532, B >= 3, number_of(aromatic, A, 1).

%%% {28,10} %%%
rule(inactive(A),30) <--
       fg_distance(A, B, C), C >= 21.4710000717385, B >= 8, number_of(ring, A, 2).

%%% {27,11} %%%
rule(inactive(A),30) <--
       atom(A, B, h, 0), fg_distance(A, C, _), C >= 4, number_of(alkane, A, 1).

%%% {34,11} %%%
rule(inactive(A),30) <--
       fg_distance(A, B, C), C >= 4.21472819840678, B >= 7, number_of(ring, A, 1).

%%% {43,13} %%%
rule(inactive(A),30) <--
       fg_distance(A, B, C), C >= 3.00527875139338, B >= 6, number_of(ring, A, 1).

%%% {9,3} %%%
rule(inactive(A),30) <--
       atom(A, B, n, 0), atom(A, C, o, 0), fg_distance(A, D, _), D >= 5, number_of(alkane, A, 2).

%%% {9,3} %%%
rule(inactive(A),30) <--
       atom(A, B, n, 0), atom(A, C, na, 0).