Name	SMARTS	Reject	Accept
4halo_pyrimidine_2_6EWG	n1c([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[n;R1]c([F,Cl,Br,I])cc1([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])		['n1c([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[n;R1]c([F,Cl,Br,I])cc1([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])']
phos_serine_warhead	NC(COP(O)(O)=O)C(O)=O		['NC(COP(O)(O)=O)C(O)=O']
phos_threonine_warhead	NC(C(C)OP(O)(O)=O)C(O)=O		['NC(C(C)OP(O)(O)=O)C(O)=O']
phos_tyrosine_warhead	NC(Cc1ccc(OP(O)(O)=O)cc1)C(O)=O		['NC(Cc1ccc(OP(O)(O)=O)cc1)C(O)=O']
sulphonyl_cyanide	S(=O)(=O)C#N		['S(=O)(=O)C#N']
trifluoroacetate_thioester	C(F)(F)(F)C(=O)S		['C(F)(F)(F)C(=O)S']
2halo_pyrazine_5EWG	[n;R1]1c([F,Cl,Br,I])[c;!$(c-N)]nc([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[c;!$(c-N)]1		['[n;R1]1c([F,Cl,Br,I])[c;!$(c-N)]nc([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[c;!$(c-N)]1']
activated_4mem_ring	[#6]1~[$(C(=O)),$(S(=O))]~[O,S,N]~[$(C(=O)),$(S(=O))]1		['[#6]1~[$(C(=O)),$(S(=O))]~[O,S,N]~[$(C(=O)),$(S(=O))]1']
halo_5heterocycle_bis_EWG	[n,o,s]1c([$(S(=O)(=O)),$([F,Cl]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])c([$(S(=O)(=O)),$([F,Cl]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])nc1([Cl,Br,I])		['[n,o,s]1c([$(S(=O)(=O)),$([F,Cl]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])c([$(S(=O)(=O)),$([F,Cl]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])nc1([Cl,Br,I])']
hydroxamate_warhead	C([N;H1]([O;D1]))=O		['C([N;H1]([O;D1]))=O']
thiol_warhead	NC(C[S;D1])C(O)=O		['NC(C[S;D1])C(O)=O']
tris_activated_aryl_ester	[$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aaa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1)]		['[$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aaa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1)]']
activated_vinyl_sulfonate	O(-S(=O)(=O))C=[$(C(S(=O)(=O))),$(C(C(F)(F)(F))),$(C(C#N)),$(C(N(=O)(=O))),$(C([N+](=O)[O-])),$(C(C(=O)));!$(C(N))]		['O(-S(=O)(=O))C=[$(C(S(=O)(=O))),$(C(C(F)(F)(F))),$(C(C#N)),$(C(N(=O)(=O))),$(C([N+](=O)[O-])),$(C(C(=O)));!$(C(N))]']
acyl_cyanide	C(=O)-C#N		['C(=O)-C#N']
pentafluorophenylester	C(=O)Oc1c(F)c(F)c(F)c(F)c1(F)		['C(=O)Oc1c(F)c(F)c(F)c(F)c1(F)']
vinyl_carbonyl_EWG	[C;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])=[C;!R]([C;!R](=O))([!$([#8]);!$([#7])])		['[C;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])=[C;!R]([C;!R](=O))([!$([#8]);!$([#7])])']
4halo_pyrimidine_5EWG	n1c[n;R1]c([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])c1		['n1c[n;R1]c([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])c1']
alpha_halo_EWG	[$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-])]-[CH,CH2]-[Cl,Br,I,$(O(S(=O)(=O)))]		['[$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-])]-[CH,CH2]-[Cl,Br,I,$(O(S(=O)(=O)))]']
2halo_pyrazine_3EWG	[n;R1]1c([F,Cl,Br,I])c([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])ncc1		['[n;R1]1c([F,Cl,Br,I])c([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])ncc1']
boron_warhead	[C,c]~[#5]		['[C,c]~[#5]']
diamino_sulfide	[N,n]~[S;!R;D2]~[N,n]		['[N,n]~[S;!R;D2]~[N,n]']
dicarbonyl_sulfonamide	[$(N(-C(=O))(-C(=O))(-S(=O))),$(n([#6](=O))([#6](=O))([#16](=O)))]		['[$(N(-C(=O))(-C(=O))(-S(=O))),$(n([#6](=O))([#6](=O))([#16](=O)))]']
acyl_imidazole	[C;!$(C-N)](=O)n1[c;H1,$([#6]([*;!R]))]n[c;H1,$(c([*;!R]))][c;H1,$(c([*;!R]))]1		['[C;!$(C-N)](=O)n1[c;H1,$([#6]([*;!R]))]n[c;H1,$(c([*;!R]))][c;H1,$(c([*;!R]))]1']
halo_phenolic_sulfonyl	S(=O)Oc1c([Cl,F])[cH1,$(c[F,Cl])]c([F,Cl])[cH1,$(c[F,Cl])]c1([F,Cl])		['S(=O)Oc1c([Cl,F])[cH1,$(c[F,Cl])]c([F,Cl])[cH1,$(c[F,Cl])]c1([F,Cl])']
oxaziridine	C1~[O,S]~N1		['C1~[O,S]~N1']
sulf_D3_nitrogen	[S;D3](-N)(-[c,C])(-[c,C])		['[S;D3](-N)(-[c,C])(-[c,C])']
2halo_pyridine_3EWG	[n;R1]1[c;!$(c=O)]([F,Cl,Br,I])c([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[c;!$(c-N)]c[c;!$(c-N)]1		['[n;R1]1[c;!$(c=O)]([F,Cl,Br,I])c([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[c;!$(c-N)]c[c;!$(c-N)]1']
2halo_pyridine_5EWG	[n;R1]1[c;!$(c=O)]([F,Cl,Br,I])c[c;!$(c-N)]c([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[c;!$(c=O);!$(c-N)]1		['[n;R1]1[c;!$(c=O)]([F,Cl,Br,I])c[c;!$(c-N)]c([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[c;!$(c=O);!$(c-N)]1']
halo_olefin_bis_EWG	C([Cl,Br,I,$(O(S(=O)(=O)))])=C([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])		['C([Cl,Br,I,$(O(S(=O)(=O)))])=C([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])']
hyperval_sulfur	[$([#16&D3]),$([#16&D4])]=,:[#6]		['[$([#16&D3]),$([#16&D4])]=,:[#6]']
ortho_hydroiminoquinone	c1c([N;D1])c([N;D1])c[cH1][cH1]1		['c1c([N;D1])c([N;D1])c[cH1][cH1]1']
keto_def_heterocycle	[$(c([C;!R;!$(C-[N,O,S]);!$(C-[H])](=O))1naaaa1),$(c([C;!R;!$(C-[N,O,S]);!$(C-[H])](=O))1naa[n,s,o]1)]		['[$(c([C;!R;!$(C-[N,O,S]);!$(C-[H])](=O))1naaaa1),$(c([C;!R;!$(C-[N,O,S]);!$(C-[H])](=O))1naa[n,s,o]1)]']
trichloromethyl_ketone	[$(C(=O));!$(C-N);!$(C-O);!$(C-S)]C(Cl)(Cl)(Cl)		['[$(C(=O));!$(C-N);!$(C-O);!$(C-S)]C(Cl)(Cl)(Cl)']
phosphorus_phosphorus_bond	P~P		['P~P']
monofluoroacetate	[C;H2](F)C(=O)[O,N,S]		['[C;H2](F)C(=O)[O,N,S]']
aryl_phosphonate	P(=O)-[O;!R]-a		['P(=O)-[O;!R]-a']
cyanohydrin	[C;X4](-[OH,NH1,NH2,SH])(-C#N)		['[C;X4](-[OH,NH1,NH2,SH])(-C#N)']
activated_vinyl_ester	O=COC=[$(C(S(=O)(=O))),$(C(C(F)(F)(F))),$(C(C#N)),$(C(N(=O)(=O))),$(C([N+](=O)[O-])),$(C(C(=O)));!$(C(N))]		['O=COC=[$(C(S(=O)(=O))),$(C(C(F)(F)(F))),$(C(C#N)),$(C(N(=O)(=O))),$(C([N+](=O)[O-])),$(C(C(=O)));!$(C(N))]']
thio_hydroxamate	[S;D2]([$(N(=C)),$(N(-S(=O)(=O))),$(N(-C(=O)))])		['[S;D2]([$(N(=C)),$(N(-S(=O)(=O))),$(N(-C(=O)))])']
halo_imino	C(=[#7])([Cl,Br,I,$(O(S(=O)(=O)))])		['C(=[#7])([Cl,Br,I,$(O(S(=O)(=O)))])']
activated_acetylene	[$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))]C#[C;!$(C-N);!$(C-n)]		['[$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))]C#[C;!$(C-N);!$(C-n)]']
acyl_pyrazole	[C;!$(C-N)](=O)n1n[c;H1,$(c([*;!R]))][c;H1,$(c([*;!R]))][c;H1,$(c([*;!R]))]1		['[C;!$(C-N)](=O)n1n[c;H1,$(c([*;!R]))][c;H1,$(c([*;!R]))][c;H1,$(c([*;!R]))]1']
sulfonyl_heteroatom	[!#6;!#1;!#11;!#19]O(S(=O)(=O)(-[C,c]))		['[!#6;!#1;!#11;!#19]O(S(=O)(=O)(-[C,c]))']
triamide	[$(N(-C(=O))(-C(=O))(-C(=O))),$(n([#6](=O))([#6](=O))([#6](=O)))]		['[$(N(-C(=O))(-C(=O))(-C(=O))),$(n([#6](=O))([#6](=O))([#6](=O)))]']
crown_ether	[$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18]),$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18]),$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18])]		['[$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18]),$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18]),$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18])]']
acyclic_imide	[C,c][C;!R](=O)[N;!R][C;!R](=O)[C,c]		['[C,c][C;!R](=O)[N;!R][C;!R](=O)[C,c]']
4halo_pyridine_3EWG	[n;R1]1[c;!$(c=O);!$(c-N)][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])c([F,Cl,Br,I])c[c;!$(c=O);!$(c-N)]1		['[n;R1]1[c;!$(c=O);!$(c-N)][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])c([F,Cl,Br,I])c[c;!$(c=O);!$(c-N)]1']
acyl_123_triazole	[#7;R1]1=,:[#7;R1]-,:[#7;R1](-C(=O))-,:[#6]=,:[#6]1		['[#7;R1]1=,:[#7;R1]-,:[#7;R1](-C(=O))-,:[#6]=,:[#6]1']
alpha_dicarbonyl	C(=O)!@C(=O)		['C(=O)!@C(=O)']
trifluoroacetate_ester	C(F)(F)(F)C(=O)O		['C(F)(F)(F)C(=O)O']
perhalo_dicarbonyl_phenyl	c1(C=O)c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c1(C=O)		['c1(C=O)c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c1(C=O)']
trinitromethane_derivative	C([$([N+](=O)[O-]),$(N(=O)=O)])([$([N+](=O)[O-]),$(N(=O)=O)])([$([N+](=O)[O-]),$(N(=O)=O)])		['C([$([N+](=O)[O-]),$(N(=O)=O)])([$([N+](=O)[O-]),$(N(=O)=O)])([$([N+](=O)[O-]),$(N(=O)=O)])']
2halo_pyrimidine_5EWG	[n;R1]1c([F,Cl,Br,I])ncc([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])c1		['[n;R1]1c([F,Cl,Br,I])ncc([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])c1']
aldehyde	[C,c][C;H1](=O)		['[C,c][C;H1](=O)']
alpha_halo_heteroatom_tert	[N,n,O,S;!$(S(=O)(=O))]-C([Cl,Br,I,$(O(S(=O)(=O)))])(C)(C)		['[N,n,O,S;!$(S(=O)(=O))]-C([Cl,Br,I,$(O(S(=O)(=O)))])(C)(C)']
sulf_D2_nitrogen	[S;D2](-[N;!$(N(=C));!$(N(-S(=O)(=O)));!$(N(-C(=O)))])		['[S;D2](-[N;!$(N(=C));!$(N(-S(=O)(=O)));!$(N(-C(=O)))])']
2halo_pyridazine_5EWG	[n;R1]1c([F,Cl,Br,I])ccc([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])n1		['[n;R1]1c([F,Cl,Br,I])ccc([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])n1']
triflate	OS(=O)(=O)(C(F)(F)(F))		['OS(=O)(=O)(C(F)(F)(F))']
flavanoid	O=C2CC(a3aaaaa3)Oa1aaaaa12		['O=C2CC(a3aaaaa3)Oa1aaaaa12']
non_ring_acetal	[O,N,S;!$(S~O)]!@[C;H1;X4]!@[O,N,S;!$(S~O)]		['[O,N,S;!$(S~O)]!@[C;H1;X4]!@[O,N,S;!$(S~O)]']
rhodanine	C(=C)1SC(=S)NC(=O)1		['C(=C)1SC(=S)NC(=O)1']
azide	[$(N#[N+]-[N-]),$([N-]=[N+]=N)]		['[$(N#[N+]-[N-]),$([N-]=[N+]=N)]']
NO_phosphonate	P(=O)ON		['P(=O)ON']
azo_filter3	[N;!R]-[N;!R]-[N;!R]		['[N;!R]-[N;!R]-[N;!R]']
disulfonyliminoquinone	S(=O)(=O)N=C1C=CC(=NS(=O)(=O))C=C1		['S(=O)(=O)N=C1C=CC(=NS(=O)(=O))C=C1']
perchloro_cp	C1(Cl)(Cl)C(Cl)C(Cl)=C(Cl)C1(Cl)		['C1(Cl)(Cl)C(Cl)C(Cl)=C(Cl)C1(Cl)']
hetero_silyl	[Si]~[!#6]		['[Si]~[!#6]']
ortho_quinone	[CH1,$(C(-[Cl,Br,I]))]1=CC(=[O,N,S;!R])C(=[O,N,S])C=[CH1,$(C(-[Cl,Br,I]))]1		['[CH1,$(C(-[Cl,Br,I]))]1=CC(=[O,N,S;!R])C(=[O,N,S])C=[CH1,$(C(-[Cl,Br,I]))]1']
meldrums_acid_deriv	O=C1OC(C)(C)OC(C1)=O		['O=C1OC(C)(C)OC(C1)=O']
sulfonyl_anhydride	[$(C(=O)),$(S(=O)(=O))][O,S](S(=O)(=O))		['[$(C(=O)),$(S(=O)(=O))][O,S](S(=O)(=O))']
tertiary_halide_sulfate	[C;X4](-[Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))])(-[c,C])(-[c,C])(-[c,C])		['[C;X4](-[Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))])(-[c,C])(-[c,C])(-[c,C])']
4_pyridone_3_5_EWG	[#7,#8,#16]1-,:[#6;H]=,:[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])-,:[#6](=O)-,:[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])=,:[#6;H]1		['[#7,#8,#16]1-,:[#6;H]=,:[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])-,:[#6](=O)-,:[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])=,:[#6;H]1']
azo_filter4	a-N=N-[N;H2]		['a-N=N-[N;H2]']
trihalovinyl_heteroatom	C(-[Cl,Br,I])(-[Cl,Br,I])=C(-[Cl,Br,I])(-[N,O,S])		['C(-[Cl,Br,I])(-[Cl,Br,I])=C(-[Cl,Br,I])(-[N,O,S])']
sulf_D2_oxygen_D2	[S;D2][O;D2]		['[S;D2][O;D2]']
acyl_activated_NO	O=C(-[!N])O[$([#7;+]),$(N(C=[O,S,N])(C=[O,S,N]))]		['O=C(-[!N])O[$([#7;+]),$(N(C=[O,S,N])(C=[O,S,N]))]']
azo_filter2	[N;!$(N-S(=O)(=O));!$(N-C=O)]-[N;!r3;!$(N-S(=O)(=O));!$(N-C=O)]-[N;!$(N-S(=O)(=O));!$(N-C=O)]		['[N;!$(N-S(=O)(=O));!$(N-C=O)]-[N;!r3;!$(N-S(=O)(=O));!$(N-C=O)]-[N;!$(N-S(=O)(=O));!$(N-C=O)]']
para_hydroquinone	a1[cH1]c([O,S;D1])[cH1]ac([O,S;D1])1		['a1[cH1]c([O,S;D1])[cH1]ac([O,S;D1])1']
oxime	[$(C=N[O;D1]);!$(C=[N+])][#6][#6]		['[$(C=N[O;D1]);!$(C=[N+])][#6][#6]']
non_ring_CH2O_acetal	[O,N,S;!$(S~O)]!@[CH2]!@[O,S,N;!$(S~O)]		['[O,N,S;!$(S~O)]!@[CH2]!@[O,S,N;!$(S~O)]']
hydrazine	[N;X3;!$(N-S(=O)(=O));!$(N-C(F)(F)(F));!$(N-C#N);!$(N-C(=O));!$(N-C(=S));!$(N-C(=N))]-[N;X3;!$(N-S(=O)(=O));!$(N-C(F)(F)(F));!$(N-C#N);!$(N-C(=O));!$(N-C(=S));!$(N-C(=N))]		['[N;X3;!$(N-S(=O)(=O));!$(N-C(F)(F)(F));!$(N-C#N);!$(N-C(=O));!$(N-C(=S));!$(N-C(=N))]-[N;X3;!$(N-S(=O)(=O));!$(N-C(F)(F)(F));!$(N-C#N);!$(N-C(=O));!$(N-C(=S));!$(N-C(=N))]']
isonitrile	[N+]#[C-]		['[N+]#[C-]']
sulfite_sulfate_ester	[C,c]OS(=O)O[C,c]		['[C,c]OS(=O)O[C,c]']
aziridine_diazirine	[C,N]1~[C,N]~N~1		['[C,N]1~[C,N]~N~1']
gte_3_COOH	C(=O)[O;D1].C(=O)[O;D1].C(=O)[O;D1]		['C(=O)[O;D1].C(=O)[O;D1].C(=O)[O;D1]']
acyl_134_triazole	[#7]1=,:[#6]-,:[#7](-C(=O)[H,!N])-,:[#6]=,:[#7]1		['[#7]1=,:[#6]-,:[#7](-C(=O)[H,!N])-,:[#6]=,:[#7]1']
trifluoromethyl_ketone	[$(C(=O));!$(C-N);!$(C-O);!$(C-S)]C(F)(F)(F)		['[$(C(=O));!$(C-N);!$(C-O);!$(C-S)]C(F)(F)(F)']
para_nitrophenyl_ester	c1(-O(-[C;!R](-[H,!N])(=[O,N;!R])))ccc([$(N(=O)(=O)),$([N+](=O)[O-])])cc1		['c1(-O(-[C;!R](-[H,!N])(=[O,N;!R])))ccc([$(N(=O)(=O)),$([N+](=O)[O-])])cc1']
phosphorus_sulfur_bond	P~S		['P~S']
polyene	C=[C;!R][C;!R]=[C;!R][C;!R]=[C;!R]		['C=[C;!R][C;!R]=[C;!R][C;!R]=[C;!R]']
thiocarbonate	SC(=O)[O,S]		['SC(=O)[O,S]']
azo_amino	[N]=[N;!R]-[N]		['[N]=[N;!R]-[N]']
secondary_halide_sulfate	[CH;!$(C=C)][Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))]		['[CH;!$(C=C)][Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))]']
nitrone	[C;!R]=[N+][O;D1]		['[C;!R]=[N+][O;D1]']
trisub_bis_act_olefin	[CH&!R;!$(C-N)]=C([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])		['[CH&!R;!$(C-N)]=C([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])']
anhydride	[$(C(=O)),$(C(=S))]-[O,S]-[$(C(=O)),$(C(=S)),$(C(=[N;!R])),$(C(=N(-[C;X4])))]		['[$(C(=O)),$(C(=S))]-[O,S]-[$(C(=O)),$(C(=S)),$(C(=[N;!R])),$(C(=N(-[C;X4])))]']
non_ring_ketal	[O,N,S;!$(S~O)]!@[C;H0;X4](!@[O,N,S;!$(S~O)])(C)		['[O,N,S;!$(S~O)]!@[C;H0;X4](!@[O,N,S;!$(S~O)])(C)']
triaryl_phosphine_oxide	P(=O)(a)(a)(a)		['P(=O)(a)(a)(a)']
betalactam_EWG	C1(=O)~[#6]~[#6]N1([$(S(=O)(=O)[C,c,O&D2]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)[C,c,O&D2])])		['C1(=O)~[#6]~[#6]N1([$(S(=O)(=O)[C,c,O&D2]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)[C,c,O&D2])])']
HOBT_ester	O=C(-[!N])O[$(nnn),$([#7]-[#7]=[#7])]		['O=C(-[!N])O[$(nnn),$([#7]-[#7]=[#7])]']
halo_acrylate	[$([C;H2]),$([C&H1;$(C-F)]),$([C&H1;$(C-Cl)]),$([C&H1;$(C-Br)]),$([C&H1;$(C-I)]),$(C(F)F),$(C(Cl)Cl),$(C(Br)Br),$(C(I)I),$(C(F)Cl),$(C(F)Br),$(C(F)I),$(C(Cl)Br),$(C(Br)I)](=[$([C&H1;$(C(-C(=O)))]),$(C(F)(C(=O))),$(C(Cl)(C(=O))),$(C(Br)(C(=O))),$(C(I)(C(=O))),$(C(C)(C(=O))),$(C(c)(C(=O)))])		['[$([C;H2]),$([C&H1;$(C-F)]),$([C&H1;$(C-Cl)]),$([C&H1;$(C-Br)]),$([C&H1;$(C-I)]),$(C(F)F),$(C(Cl)Cl),$(C(Br)Br),$(C(I)I),$(C(F)Cl),$(C(F)Br),$(C(F)I),$(C(Cl)Br),$(C(Br)I)](=[$([C&H1;$(C(-C(=O)))]),$(C(F)(C(=O))),$(C(Cl)(C(=O))),$(C(Br)(C(=O))),$(C(I)(C(=O))),$(C(C)(C(=O))),$(C(c)(C(=O)))])']
alpha_halo_amine	[F,Cl,Br,I,$(O(S(=O)(=O)))]-[CH,CH2;!$(C(F)F)]-[N,n]		['[F,Cl,Br,I,$(O(S(=O)(=O)))]-[CH,CH2;!$(C(F)F)]-[N,n]']
sulfonium	[S+;X3;$(S-C);!$(S-[O;D1])]		['[S+;X3;$(S-C);!$(S-[O;D1])]']
azo_filter1	[N;!R]=[N;!R]-[N]=[*]		['[N;!R]=[N;!R]-[N]=[*]']
CH2_S#O_3_ring	[CH2]1[O,S]C1		['[CH2]1[O,S]C1']
polysulfide	[S;D2]-[S;D2]-[S;D2]		['[S;D2]-[S;D2]-[S;D2]']
acrylate	[CH2]=[C;!$(C-N);!$(C-O)]C(=O)		['[CH2]=[C;!$(C-N);!$(C-O)]C(=O)']
four_nitriles	C#N.C#N.C#N.C#N		['C#N.C#N.C#N.C#N']
gte_4_basic_N	[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(N-c)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(N-c)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(N-c)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(N-c)]		['[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(N-c)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(N-c)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(N-c)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(N-c)]']
primary_halide_sulfate	[CH2][Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))]		['[CH2][Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))]']
para_quinone	[CH1,$(C(-[Cl,Br,I]))]1=[CH1,$(C(-[Cl,Br,I]))]C(=[O,N,S])[CH1,$(C(-[Cl,Br,I]))]=[CH1,$(C(-[Cl,Br,I]))]C1(=[O,N,S])		['[CH1,$(C(-[Cl,Br,I]))]1=[CH1,$(C(-[Cl,Br,I]))]C(=[O,N,S])[CH1,$(C(-[Cl,Br,I]))]=[CH1,$(C(-[Cl,Br,I]))]C1(=[O,N,S])']
phosphorane	C=P		['C=P']
activated_S#O_3_ring	C1~[O,S]~[C,N,O,S]1[a,N,O,S]		['C1~[O,S]~[C,N,O,S]1[a,N,O,S]']
thioester	[S;!R;H0]C(=[S,O;!R])([!O;!S;!N])		['[S;!R;H0]C(=[S,O;!R])([!O;!S;!N])']
gte_7_aliphatic_OH	C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1]		['C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1]']
bis_activated_aryl_ester	O=[C,S]Oc1aaa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1		['O=[C,S]Oc1aaa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1']
ortho_nitrophenyl_carbonyl	c1(-O-[C;!R](=[O,N;!R]))c([$(N(=O)(=O)),$([N+](=O)[O-])])cccc1		['c1(-O-[C;!R](=[O,N;!R]))c([$(N(=O)(=O)),$([N+](=O)[O-])])cccc1']
gte_2_free_phos	P([O;D1])=O.P([O;D1])=O		['P([O;D1])=O.P([O;D1])=O']
benzidine_like	c([N;!+])1ccc(c2ccc([N;!+])cc2)cc1		['c([N;!+])1ccc(c2ccc([N;!+])cc2)cc1']
activated_azo	[N;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])=[N;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])		['[N;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])=[N;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])']
quat_N_acyl	[N,n;+]!@C(=O)		['[N,n;+]!@C(=O)']
aryl_thiocarbonyl	a-[S;X2;!R]-[C;!R](=O)		['a-[S;X2;!R]-[C;!R](=O)']
hydrazothiourea	[N;!R]=NC(=S)N		['[N;!R]=NC(=S)N']
nitrosamine	N-[N;X2](=O)		['N-[N;X2](=O)']
halo_phenolic_carbonyl	C(=O)Oc1c([Cl,F])[cH1,$(c[F,Cl])]c([F,Cl])[cH1,$(c[F,Cl])]c1([F,Cl])		['C(=O)Oc1c([Cl,F])[cH1,$(c[F,Cl])]c([F,Cl])[cH1,$(c[F,Cl])]c1([F,Cl])']
gte_8_CF2_or_CH2	[CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0]		['[CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0]']
diazo_carbonyl	[$(N=N=C~C=O),$(N#N-C~C=O)]		['[$(N=N=C~C=O),$(N#N-C~C=O)]']
2halo_pyridazine_3EWG	[n;R1]1c([F,Cl,Br,I])c([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])ccn1		['[n;R1]1c([F,Cl,Br,I])c([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])ccn1']
gte_10_carbon_sb_chain	[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]		['[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]']
beta_lactone	[#6,#15,#16]1(=O)~[#6]~[#6]~[#8,#16]1		['[#6,#15,#16]1(=O)~[#6]~[#6]~[#8,#16]1']
linear_polycyclic_aromatic_I	[$(a12aaaaa1aa3a(aa(aaaa4)a4a3)a2),$(a12aaaaa1aa3a(aaa4a3aaaa4)a2),$(a12aaaaa1a(aa5)a3a(aaa4a3a5aaa4)a2)]		['[$(a12aaaaa1aa3a(aa(aaaa4)a4a3)a2),$(a12aaaaa1aa3a(aaa4a3aaaa4)a2),$(a12aaaaa1a(aa5)a3a(aaa4a3a5aaa4)a2)]']
alpha_halo_carbonyl	C(=O)([CH,CH2][Cl,Br,I,$(O(S(=O)(=O)))])		['C(=O)([CH,CH2][Cl,Br,I,$(O(S(=O)(=O)))])']
phosphorous_nitrogen_bond	[#15]~[N,n]		['[#15]~[N,n]']
gte_2_N_quats	[N,n;H0;+;!$(N~O);!$(n~O)].[N,n;H0;+;!$(N~O);!$(n~O)]		['[N,n;H0;+;!$(N~O);!$(n~O)].[N,n;H0;+;!$(N~O);!$(n~O)]']
betalactam	C1(=O)~[#6]~[#6]N1		['C1(=O)~[#6]~[#6]N1']
peroxide	[#8]~[#8]		['[#8]~[#8]']
paraquat_like	[#6]1[#6][#6]([#6]2[#6][#6][#7;+][#6][#6]2)[#6][#6][#7;+]1		['[#6]1[#6][#6]([#6]2[#6][#6][#7;+][#6][#6]2)[#6][#6][#7;+]1']
perhalo_phenyl	c1c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c1([Br,Cl,I])		['c1c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c1([Br,Cl,I])']
phosphite	[c,C]-[P;v3]		['[c,C]-[P;v3]']
ortho_hydroquinone	a1c([O,S;D1])c([O,S;D1])a[cH1][cH1]1		['a1c([O,S;D1])c([O,S;D1])a[cH1][cH1]1']
maleimide_etc	[$([C;H1]),$(C(-[F,Cl,Br,I]))]1=[$([C;H1]),$(C(-[F,Cl,Br,I]))]C(=O)[N,O,S]C(=O)1		['[$([C;H1]),$(C(-[F,Cl,Br,I]))]1=[$([C;H1]),$(C(-[F,Cl,Br,I]))]C(=O)[N,O,S]C(=O)1']
azo_aryl	c[N;!R;!+]=[N;!R;!+]-c		['c[N;!R;!+]=[N;!R;!+]-c']
bad_cations	[C+,F+,Cl+,Br+,I+,Se+]		['[C+,F+,Cl+,Br+,I+,Se+]']
linear_polycyclic_aromatic_II	[$(a12aaaa4a1a3a(aaaa3aa4)aa2),$(a12aaaaa1a3a(aaa4a3aaaa4)aa2),$(a1(a(aaaa4)a4a3a2aaaa3)a2aaaa1)]		['[$(a12aaaa4a1a3a(aaaa3aa4)aa2),$(a12aaaaa1a3a(aaa4a3aaaa4)aa2),$(a1(a(aaaa4)a4a3a2aaaa3)a2aaaa1)]']
quat_N_N	[N,n;R;+]!@[N,n]		['[N,n;R;+]!@[N,n]']
sulfonyl_halide	S(=O)(=O)[F,Cl,Br,I]		['S(=O)(=O)[F,Cl,Br,I]']
gte_7_total_hal	[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I]		['[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I]']
trinitro_aromatic	[$(a1aaa([$(N(=O)(=O)),$([N+](=O)[O-])])a([$(N(=O)(=O)),$([N+](=O)[O-])])a1([$(N(=O)(=O)),$([N+](=O)[O-])])),$(a1aa([$(N(=O)(=O)),$([N+](=O)[O-])])a([$(N(=O)(=O)),$([N+](=O)[O-])])aa1([$(N(=O)(=O)),$([N+](=O)[O-])])),$(a1a([$(N(=O)(=O)),$([N+](=O)[O-])])aa([$(N(=O)(=O)),$([N+](=O)[O-])])aa1([$(N(=O)(=O)),$([N+](=O)[O-])]))]  		['[$(a1aaa([$(N(=O)(=O)),$([N+](=O)[O-])])a([$(N(=O)(=O)),$([N+](=O)[O-])])a1([$(N(=O)(=O)),$([N+](=O)[O-])])),$(a1aa([$(N(=O)(=O)),$([N+](=O)[O-])])a([$(N(=O)(=O)),$([N+](=O)[O-])])aa1([$(N(=O)(=O)),$([N+](=O)[O-])])),$(a1a([$(N(=O)(=O)),$([N+](=O)[O-])])aa([$(N(=O)(=O)),$([N+](=O)[O-])])aa1([$(N(=O)(=O)),$([N+](=O)[O-])]))]']
para_hydroiminoquinone	a1[cH1]c([N;D1])[cH1]ac([N;D1])1		['a1[cH1]c([N;D1])[cH1]ac([N;D1])1']
carbonyl_halide	O=C[F,Cl,Br,I]		['O=C[F,Cl,Br,I]']
carbodiimide_iso#thio#cyanate	N=C=[N,O,S]		['N=C=[N,O,S]']
phosphonium	[#15;+]~[!O]		['[#15;+]~[!O]']
gte_4_nitro	[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)]		['[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)]']
gte_2_sulfonic_acid	[C,c]S(=O)(=O)[O;D1].[C,c]S(=O)(=O)[O;D1]		['[C,c]S(=O)(=O)[O;D1].[C,c]S(=O)(=O)[O;D1]']
bis_keto_olefin	CC(=O)[$([C&H1]),$(C-F),$(C-Cl),$(C-Br),$(C-I)]=[$([C&H1]),$(C-F),$(C-Cl),$(C-Br),$(C-I)]C(=O)C		['CC(=O)[$([C&H1]),$(C-F),$(C-Cl),$(C-Br),$(C-I)]=[$([C&H1]),$(C-F),$(C-Cl),$(C-Br),$(C-I)]C(=O)C']
disulfide_acyclic	[S;!R;X2]-[S;!R;X2]		['[S;!R;X2]-[S;!R;X2]']
bad_boron	[B-,BH2,BH3,$(B(F)(F))]		['[B-,BH2,BH3,$(B(F)(F))]']
thiopyrylium	c1[S,s;+]cccc1		['c1[S,s;+]cccc1']
gte_3_iodine	[#53].[#53].[#53]		['[#53].[#53].[#53]']
polyhalo_phenol_b	c1c([O;D1])c(-[Cl,Br,I])cc(-[Cl,Br,I])c1.c1c([O;D1])c(-[Cl,Br,I])cc(-[Cl,Br,I])c1		['c1c([O;D1])c(-[Cl,Br,I])cc(-[Cl,Br,I])c1.c1c([O;D1])c(-[Cl,Br,I])cc(-[Cl,Br,I])c1']
branched_polycyclic_aromatic	a1(a2aa(a3aaaaa3)aa(a4aaaaa4)a2)aaaaa1		['a1(a2aa(a3aaaaa3)aa(a4aaaaa4)a2)aaaaa1']
gte_5_phenolic_OH	a[O;D1].a[O;D1].a[O;D1].a[O;D1].a[O;D1]		['a[O;D1].a[O;D1].a[O;D1].a[O;D1].a[O;D1]']
oxonium	[o+,O+]		['[o+,O+]']
halogen_heteroatom	[!C;!c;!H][F,Cl,Br,I]		['[!C;!c;!H][F,Cl,Br,I]']
diazonium	a[N+]#N		['a[N+]#N']
porphyrin	[#6;r16,r17,r18]~[#6]1~[#6]~[#6]~[#6](~[#6])~[#7]1		['[#6;r16,r17,r18]~[#6]1~[#6]~[#6]~[#6](~[#6])~[#7]1']
contains_metal	[$([Ru]),$([Rh]),$([Se]),$([se]),$([Pd]),$([Sc]),$([Bi]),$([Sb]),$([Ag]),$([Ti]),$([Al]),$([Cd]),$([V]),$([In]),$([Cr]),$([Sn]),$([Mn]),$([La]),$([Fe]),$([Er]),$([Tm]),$([Yb]),$([Lu]),$([Hf]),$([Ta]),$([W]),$([Re]),$([Co]),$([Os]),$([Ni]),$([Ir]),$([Cu]),$([Zn]),$([Ga]),$([Ge]),$([As]),$([as]),$([Y]),$([Zr]),$([Nb]),$([Ce]),$([Pr]),$([Nd]),$([Sm]),$([Eu]),$([Gd]),$([Tb]),$([Dy]),$([Ho]),$([Pt]),$([Au]),$([Hg]),$([Tl]),$([Pb]),$([Ac]),$([Th]),$([Pa]),$([Mo]),$([U]),$([Tc]),$([Te]),$([Po]),$([At])]		['[$([Ru]),$([Rh]),$([Se]),$([se]),$([Pd]),$([Sc]),$([Bi]),$([Sb]),$([Ag]),$([Ti]),$([Al]),$([Cd]),$([V]),$([In]),$([Cr]),$([Sn]),$([Mn]),$([La]),$([Fe]),$([Er]),$([Tm]),$([Yb]),$([Lu]),$([Hf]),$([Ta]),$([W]),$([Re]),$([Co]),$([Os]),$([Ni]),$([Ir]),$([Cu]),$([Zn]),$([Ga]),$([Ge]),$([As]),$([as]),$([Y]),$([Zr]),$([Nb]),$([Ce]),$([Pr]),$([Nd]),$([Sm]),$([Eu]),$([Gd]),$([Tb]),$([Dy]),$([Ho]),$([Pt]),$([Au]),$([Hg]),$([Tl]),$([Pb]),$([Ac]),$([Th]),$([Pa]),$([Mo]),$([U]),$([Tc]),$([Te]),$([Po]),$([At])]']
polyhalo_phenol_a	c1c([O;D1])c(-[Cl,Br,I])c(-[Cl,Br,I])cc1.c1c([O;D1])c(-[Cl,Br,I])c(-[Cl,Br,I])cc1		['c1c([O;D1])c(-[Cl,Br,I])c(-[Cl,Br,I])cc1.c1c([O;D1])c(-[Cl,Br,I])c(-[Cl,Br,I])cc1']
thio_xanthate	[S;!R]-[C;!R](=[S;!R])(-[S;!R])		['[S;!R]-[C;!R](=[S;!R])(-[S;!R])']
thiosulfoxide	[C,c][S;X3](~O)-S		['[C,c][S;X3](~O)-S']
polyhalo_phenol_c	c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1.c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1		['c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1.c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1']
quinone_methide	[#6;!$([#6](-[N,O,S]))]1=[#6;!$([#6](-[N,O,S]))][#6](=[#6])[#6;!$([#6](-[N,O,S]))]=[#6;!$([#6](-[N,O,S]))][#6]1(=[O,N,S])		['[#6;!$([#6](-[N,O,S]))]1=[#6;!$([#6](-[N,O,S]))][#6](=[#6])[#6;!$([#6](-[N,O,S]))]=[#6;!$([#6](-[N,O,S]))][#6]1(=[O,N,S])']
polyhalo_phenol_d	c(-[Cl,Br,I])1c([O;D1])c(-[Cl,Br,I])ccc1.c(-[Cl,Br,I])1c([O;D1])c(-[Cl,Br,I])ccc1		['c(-[Cl,Br,I])1c([O;D1])c(-[Cl,Br,I])ccc1.c(-[Cl,Br,I])1c([O;D1])c(-[Cl,Br,I])ccc1']
3halo_pyridazine_2EWG	[n;R1]1c([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])c([F,Cl,Br,I])ccn1		['[n;R1]1c([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])c([F,Cl,Br,I])ccn1']
3halo_pyridazine_4EWG	[n;R1]1cc([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])cn1		['[n;R1]1cc([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])cn1']
cyano_phosphonate	P(O[A,a])(O[A,a])(=O)C#N		['P(O[A,a])(O[A,a])(=O)C#N']
double_trouble_warhead	NC(C[S;D1])C([N;H1]([O;D1]))=O		['NC(C[S;D1])C([N;H1]([O;D1]))=O']