SMARTS/cheat-sheet.txt at master · SqrtNegInf/SMARTS · GitHub

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SMARTS Atomic Primitives
*       wildcard            any atom
a       aromatic            any aromatic atom
A       aliphatic           any aliphatic atom
D{n}    degree              {n} explicit connections
H{n}    total-H-count       {n} attached hydrogens
h{n}    implicit-H-count    {n} implicit hydrogens
R{n}    ring membership     in {n} SSSR rings
r{n}    ring size           in smallest SSSR ring of size {n}
v{n}    valence             total bond order {n}
X{n}    connectivity        {n} total connections
x{n}    ring connectivity   {n} total ring connections
-{n}    negative charge     -1 charge (-- is -2, etc)
+{n}    positive charge     +1 charge (++ is +2, etc)
#{n}    atomic number       atomic number {n}

(SSSR = smallest set of smallest rings)

SMARTS Bond Primitives
-       single bond (aliphatic)
=       double bond
#       triple bond
:       aromatic bond
@       any ring bond
~       any bond (wildcard)

SMARTS Logical Operators
exclamation     !e1     not e1      (highest precedence)
ampersand       e1&e2   a1 and e2
comma           e1,e2   e1 or e2
semicolon       e1;e2   a1 and e2   (lowest precedence)

Recursive SMARTS (define an atomic environment)
C[$(aaO);$(aaaN)]   C ortho to O and meta to N

Biobyte macros
 {C1}   C, aliphatic ring, no double bond
 {c2}   c, aromatic ring,  no double bond
 {s2}   s, aromatic ring,  no double bond
 {n2}   n, aromatic ring,  no double bond
 {n3}   n, aromatic ring,  no heavy atom bond
 {C5}   C, aliphatic ring, no double bond to oxygen
 {c6}   c, aromatic ring,  no double bond to oxygen
 {n7}   n, aromatic ring, with H0 or H1, no non-ring bonds
 {C}    isolating carbon
 {!C}   fragment carbon
 {SxN}  structure 'S' repreated 'N' times
r{I,J}  range of ring sizes