use super::tautomer::TautomerTransformDefinition;
pub(super) const CURRENT_TAUTOMER_TRANSFORM_DEFINITIONS: &[TautomerTransformDefinition<'_>] = &[
(
"1,3 (thio)keto/enol f",
"[CX4!H0R{0-2}]-[C;z{1-2}]=[O,S,Se,Te;X1]",
"",
"",
),
(
"1,3 (thio)keto/enol r",
"[O,S,Se,Te;X2!H0]-[#6;z{1-2}]=[C,cz{0-1}R{0-1}]",
"",
"",
),
(
"1,5 (thio)keto/enol f",
"[CX4z0,NX3;!H0]-[C]=[C][Cz1H0]=[O,S,Se,Te;X1]",
"",
"",
),
(
"1,5 (thio)keto/enol r",
"[O,S,Se,Te;X2!H0]-[Cz1H0]=[C]-[C]=[Cz0,N]",
"",
"",
),
(
"aliphatic imine f",
"[CX4R{0-2}!H0]-[Cz1]=[NX2;N!H0,$(N-a)]",
"",
"",
),
(
"aliphatic imine r",
"[NX3;NH2,$([NH1]-a)]-[C;z{1-2}]=[CX3]",
"",
"",
),
("special imine f", "[Nz0!H0]-[C]=[Cz0X3R0]", "", ""),
("special imine r", "[Cz0R0X4!H0]-[c]=[nz0]", "", ""),
(
"special imine r2",
"[Cz0R0X4!H0]-[cr6](=[cr6])-[nr6H0z0]",
"==-",
"",
),
(
"1,3 aromatic heteroatom H shift f",
"[#7+0!H0]-[#6R1]=[O,#7X2+0]",
"",
"",
),
(
"1,3 aromatic heteroatom H shift ",
"[O,#7+0;!H0]-[#6R1]=[#7+0X2]",
"",
"",
),
(
"1,3 heteroatom H shift",
"[#7+0,S,O,Se,Te;!H0]-[#7X2,#6,#15X3H0]=[#7+0,#16,#8,Se,Te]",
"",
"",
),
(
"1,5 aromatic heteroatom H shift",
"[#7+0,#16,#8;!H0]-[#6,#7]=[#6]-[#6,#7]=[#7+0,#16,#8;H0]",
"",
"",
),
(
"1,5 aromatic heteroatom H shift ",
"[#7+0,#16,#8,Se,Te;!H0]-[#6,nX2]=[#6,nX2]-[#6,#7X2]=[#7X2+0,S,O,Se,Te]",
"",
"",
),
(
"1,5 aromatic heteroatom H shift r",
"[#7+0,S,O,Se,Te;!H0]-[#6,#7X2]=[#6,nX2]-[#6,nX2]=[#7+0,#16,#8,Se,Te]",
"",
"",
),
(
"1,7 aromatic heteroatom H shift f",
"[#7+0,#8,#16,Se,Te;!H0]-[#6,#7X2]=[#6,#7X2]-[#6,#7X2]=[#6]-[#6,#7X2]=[#7X2+0,S,O,Se,Te,Cz0X3]",
"",
"",
),
(
"1,7 aromatic heteroatom H shift r",
"[#7+0,S,O,Se,Te,Cz0X4;!H0]-[#6,#7X2]=[#6]-[#6,#7X2]=[#6,#7X2]-[#6,#7X2]=[NX2,S,O,Se,Te]",
"",
"",
),
(
"1,9 aromatic heteroatom H shift f",
"[#7+0,O;!H0]-[#6,#7X2]=[#6,#7X2]-[#6,#7X2]=[#6,#7X2]-[#6,#7X2]=[#6,#7X2]-[#6,#7X2]=[#7+0,O]",
"",
"",
),
(
"1,11 aromatic heteroatom H shift f",
"[#7+0,O;!H0]-[#6,nX2]=[#6,nX2]-[#6,nX2]=[#6,nX2]-[#6,nX2]=[#6,nX2]-[#6,nX2]=[#6,nX2]-[#6,nX2]=[#7X2+0,O]",
"",
"",
),
(
"furanone f",
"[O,S,N;!H0]-[#6z2r5]=,:[#6X3r5;$([#6]([#6;r5])=,:[#6X3r5])]",
"",
"",
),
(
"furanone r",
"[#6r5!H0;$([#6]([#6r5])[#6r5])][#6z2r5]=[O,S,N]",
"",
"",
),
("keten/ynol f", "[C!H0]=[C]=[O,S,Se,Te;X1]", "#-", ""),
("keten/ynol r", "[O,S,Se,Te;!H0X2]-[C]#[C]", "==", ""),
(
"ionic nitro/aci-nitro f",
"[C!H0]-[N+;$([N][O-])]=[O]",
"",
"",
),
(
"ionic nitro/aci-nitro r",
"[O!H0]-[N+;$([N][O-])]=[C]",
"",
"",
),
("oxim/nitroso f", "[O!H0]-[Nz1]=[C]", "", ""),
("oxim/nitroso r", "[C!H0]-[Nz1]=[O]", "", ""),
(
"oxim/nitroso via phenol f",
"[O!H0]-[N]=[C]-[C]=[C]-[C]=[OH0]",
"",
"",
),
(
"oxim/nitroso via phenol r",
"[O!H0]-[c]=,:[c][c]=,:[c]-[N]=[OH0]",
"",
"",
),
("cyano/iso-cyanic acid f", "[O!H0]-[C]#[N]", "==", ""),
("cyano/iso-cyanic acid r", "[N!H0]=[C]=[O]", "#-", ""),
(
"formamidinesulfinic acid f",
"[O,N;!H0]-[C]=[S,Se,Te;v6]=[O]",
"=--",
"",
),
(
"formamidinesulfinic acid r",
"[O!H0]-[S,Se,Te;v4]-[C]=[O,N]",
"==-",
"",
),
("isocyanide f", "[C-0!H0]#[N+0]", "#", "-+"),
("isocyanide r", "[N+!H0]#[C-]", "#", "-+"),
("phosphonic acid f", "[OH]-[PX3H0]", "=", ""),
("phosphonic acid r", "[PX4H]=[O]", "-", ""),
];
pub(super) const V1_TAUTOMER_TRANSFORM_DEFINITIONS: &[TautomerTransformDefinition<'_>] = &[
(
"1,3 (thio)keto/enol f",
"[CX4!H0]-[C]=[O,S,Se,Te;X1]",
"",
"",
),
("1,3 (thio)keto/enol r", "[O,S,Se,Te;X2!H0]-[C]=[C]", "", ""),
(
"1,5 (thio)keto/enol f",
"[CX4,NX3;!H0]-[C]=[C][CH0]=[O,S,Se,Te;X1]",
"",
"",
),
(
"1,5 (thio)keto/enol r",
"[O,S,Se,Te;X2!H0]-[CH0]=[C]-[C]=[C,N]",
"",
"",
),
("aliphatic imine f", "[CX4!H0]-[C]=[NX2]", "", ""),
("aliphatic imine r", "[NX3!H0]-[C]=[CX3]", "", ""),
("special imine f", "[N!H0]-[C]=[CX3R0]", "", ""),
("special imine r", "[CX4!H0]-[c]=[n]", "", ""),
(
"1,3 aromatic heteroatom H shift f",
"[#7+0!H0]-[#6R1]=[O,#7X2+0]",
"",
"",
),
(
"1,3 aromatic heteroatom H shift ",
"[O,#7+0;!H0]-[#6R1]=[#7+0X2]",
"",
"",
),
(
"1,3 heteroatom H shift",
"[#7+0,S,O,Se,Te;!H0]-[#7X2,#6,#15]=[#7+0,#16,#8,Se,Te]",
"",
"",
),
(
"1,5 aromatic heteroatom H shift",
"[#7+0,#16,#8;!H0]-[#6,#7]=[#6]-[#6,#7]=[#7+0,#16,#8;H0]",
"",
"",
),
(
"1,5 aromatic heteroatom H shift ",
"[#7+0,#16,#8,Se,Te;!H0]-[#6,nX2]=[#6,nX2]-[#6,#7X2]=[#7X2+0,S,O,Se,Te]",
"",
"",
),
(
"1,5 aromatic heteroatom H shift r",
"[#7+0,S,O,Se,Te;!H0]-[#6,#7X2]=[#6,nX2]-[#6,nX2]=[#7+0,#16,#8,Se,Te]",
"",
"",
),
(
"1,7 aromatic heteroatom H shift f",
"[#7+0,#8,#16,Se,Te;!H0]-[#6,#7X2]=[#6,#7X2]-[#6,#7X2]=[#6]-[#6,#7X2]=[#7X2+0,S,O,Se,Te,CX3]",
"",
"",
),
(
"1,7 aromatic heteroatom H shift r",
"[#7+0,S,O,Se,Te,CX4;!H0]-[#6,#7X2]=[#6]-[#6,#7X2]=[#6,#7X2]-[#6,#7X2]=[NX2,S,O,Se,Te]",
"",
"",
),
(
"1,9 aromatic heteroatom H shift f",
"[#7+0,O;!H0]-[#6,#7X2]=[#6,#7X2]-[#6,#7X2]=[#6,#7X2]-[#6,#7X2]=[#6,#7X2]-[#6,#7X2]=[#7+0,O]",
"",
"",
),
(
"1,11 aromatic heteroatom H shift f",
"[#7+0,O;!H0]-[#6,nX2]=[#6,nX2]-[#6,nX2]=[#6,nX2]-[#6,nX2]=[#6,nX2]-[#6,nX2]=[#6,nX2]-[#6,nX2]=[#7X2+0,O]",
"",
"",
),
(
"furanone f",
"[O,S,N;!H0]-[#6r5]=[#6X3r5;$([#6]([#6r5])=[#6r5])]",
"",
"",
),
(
"furanone r",
"[#6r5!H0;$([#6]([#6r5])[#6r5])]-[#6r5]=[O,S,N]",
"",
"",
),
("keten/ynol f", "[C!H0]=[C]=[O,S,Se,Te;X1]", "#-", ""),
("keten/ynol r", "[O,S,Se,Te;!H0X2]-[C]#[C]", "==", ""),
(
"ionic nitro/aci-nitro f",
"[C!H0]-[N+;$([N][O-])]=[O]",
"",
"",
),
(
"ionic nitro/aci-nitro r",
"[O!H0]-[N+;$([N][O-])]=[C]",
"",
"",
),
("oxim/nitroso f", "[O!H0]-[N]=[C]", "", ""),
("oxim/nitroso r", "[C!H0]-[N]=[O]", "", ""),
(
"oxim/nitroso via phenol f",
"[O!H0]-[N]=[C]-[C]=[C]-[C]=[OH0]",
"",
"",
),
(
"oxim/nitroso via phenol r",
"[O!H0]-[c]=[c]-[c]=[c]-[N]=[OH0]",
"",
"",
),
("cyano/iso-cyanic acid f", "[O!H0]-[C]#[N]", "==", ""),
("cyano/iso-cyanic acid r", "[N!H0]=[C]=[O]", "#-", ""),
(
"formamidinesulfinic acid f",
"[O,N;!H0]-[C]=[S,Se,Te;v6]=[O]",
"=--",
"",
),
(
"formamidinesulfinic acid r",
"[O!H0]-[S,Se,Te;v4]-[C]=[O,N]",
"==-",
"",
),
("isocyanide f", "[C-0!H0]#[N+0]", "#", "-+"),
("isocyanide r", "[N+!H0]#[C-]", "#", "-+"),
("phosphonic acid f", "[OH]-[PH0]", "=", ""),
("phosphonic acid r", "[PH]=[O]", "-", ""),
];