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tox21_snn_classifier / data /tox_smarts.json

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	[
	[
	"TA1000",
	"P=[S,#6]"
	],
	[
	"TA1001",
	"c1c(F)c(F)c(F)c(F)c1(F)"
	],
	[
	"TA1006",
	"[CX4]C(=O)O[#6][!#1]"
	],
	[
	"TA1007",
	"[CX4]C(=O)C"
	],
	[
	"TA1008",
	"[CX4][NX3]([CX4])c1cc([$([CX4]),$(O[CX4][CX4])])c([#7])[cH]c1"
	],
	[
	"TA1009",
	"[CX4][NX3]([CX4])c1c[cH]c([#7])[cH]c1"
	],
	[
	"TA1010",
	"[CX4][NX3]([CX4])c1ccc(C=C)cc1"
	],
	[
	"TA1011",
	"[CX4][NH]c1ccc(O[CX4])cc1"
	],
	[
	"TA1012",
	"[CX4]N([CX4])c1ccc(O[CX4])cc1"
	],
	[
	"TA1013",
	"[CX4]N([CX4])c1ccc([CX4][$([OH]),$(C=[C!H0]),$(N[CX4])])cc1"
	],
	[
	"TA1014",
	"[CX4]N([C!H0])c1[cH][cH]c([$([C!H0!H1]),$([C!H0][C!H0])])[cH][cH]1"
	],
	[
	"TA1018",
	"C1(=C)C(=O)[#7,#8,#15,#16]N=C1"
	],
	[
	"TA1019",
	"C1(=S)NC(=O)C(=[#6])S1"
	],
	[
	"TA1020",
	"[#7,#8,#15,#16]~C1~[#7,#8,#15,#16]~C[#7,#8,#15,#16][CX3](=[#7,#8,#15,#16])[CX3]1(=[C!H0])"
	],
	[
	"TA1021",
	"C1CC(=O)NC(=O)C1"
	],
	[
	"TA1022",
	"[CD1][CD2][CD2][CD2][CD2][CX4]"
	],
	[
	"TA1023",
	"[OH]c1c(C=NN)cccc1"
	],
	[
	"TA1024",
	"[OH]c1ccc(C=NN)cc1"
	],
	[
	"TA1025",
	"[#6][#6](=[#7,#8,#15,#16])[#6](=[#7,#8,#15,#16])[#6,Sv6]"
	],
	[
	"TA1027",
	"[nH]1c([$([CH2]),$([C!H0]N),$([CD3]([CH2])[NH][CH2]),$([CD3]([CH2])[CD2][NH][CH2]),$([#6]=,:[#7,#8,#15,#16])])c([CX4!H0])c2[cH]cccc12"
	],
	[
	"TA1029",
	"[r10,r11,r12,r13,r14,r15,r16,r17,r18,r19,r20]"
	],
	[
	"TA1030",
	"[OH]c1c([CX4][#7])cccc1"
	],
	[
	"TA1034",
	"N1(c2[!#1]cccc2)C([CX4])=C[C!H0]=C1[CX4]"
	],
	[
	"TA1035",
	"[#7,#8,#15,#16]=[#6]1-,:[#6]=,:[#6]-,:[#6](=[#7,#8,#15,#16])-,:[#6]=,:[#6]1"
	],
	[
	"TA1038",
	"c[CX4](c)c"
	],
	[
	"TA1039",
	"[CH2,CH3]C#C[CH2,CH3]"
	],
	[
	"TA1040",
	"[CX3](=[OX1])[CX4]([#1,Cl,Br,I])([#1,Cl,Br,I])[Cl,Br,I]"
	],
	[
	"TA1041",
	"[#6,#1][CX3]([H])=[OX1]"
	],
	[
	"TA1043",
	"[c,n]1[c,n][c,n]c2[c,n]c3[c,n][c,n][c,n][c,n]c3[c,n]c2c1"
	],
	[
	"TA1044",
	"[#6]-[$([NX2]=[NX2+]=[NX1-]),$([NX2]=[NX2+]=N)]"
	],
	[
	"TA1047",
	"c1([OH1])c([OH1])cccc1"
	],
	[
	"TA1050",
	"C1OC1"
	],
	[
	"TA1051",
	"[C!H0]([#1,#6,#7,#8,#16])[CX4]([#1,Cl,Br,I])([#1,Cl,Br,I])[Cl,Br,I]"
	],
	[
	"TA1054",
	"c1([F,Cl,Br,I])n[c,n][c,n][c,n][c,n]1"
	],
	[
	"TA1055",
	"[CH3][CH2][CH2][CH2][CH2][CH2][CH2,CH3]"
	],
	[
	"TA1056",
	"[NX3!H0]([#1,#6])[NX3!H0]([#1,#6])"
	],
	[
	"TA1057",
	"[NX3]([#1,#6])([#1,#6])[NX2]=[CX3!H0]([#1,#6])"
	],
	[
	"TA1058",
	"[$([OX1-][#7+]1=,:[#6,#7]-,:[#6,#7]=,:[#6,#7]-,:[#6,#7]=,:[#6,#7]1),$([OX1]=[#7v5]1=,:[#6,#7]-,:[#6,#7]=,:[#6,#7]-,:[#6,#7]=,:[#6,#7]1)]"
	],
	[
	"TA1059",
	"[$([OX1-][#7+]1=,:[#6,#7]-,:[#6,#7]=,:[#6,#7]-,:[#6,#7,#8,#16]1),$([OX1]=[#7v5]1=,:[#6,#7]-,:[#6,#7]=,:[#6,#7]-,:[#6,#7,#8,#16]1)]"
	],
	[
	"TA1060",
	"[#15&0]"
	],
	[
	"TA1062",
	"c1c(F)c(F)c(F)c(F)c1(F)"
	],
	[
	"TA1065",
	"[Pv5X4](=[OX1])([OX2])([OX2])[#6]"
	],
	[
	"TA1066",
	"[#15]=O"
	],
	[
	"TA1067",
	"[#6][#7+]1=,:[#6]-,:[#6,#7]=,:[#6]-,:[#6,#7]=,:[#6]1"
	],
	[
	"TA1069",
	"[#6]1(=[OX1])-,:[#6]=,:[#6]-,:[#6](=[OX1])-,:[#6]=,:[#6]1"
	],
	[
	"TA1070",
	"[Sv6X4](=[OX1])(=[OX1])([#8])[#6,#8]"
	],
	[
	"TA1073",
	"[#6&!$(C(=[OX1,SX1,NX2]))][SX2H1]"
	],
	[
	"TA1075",
	"[NX3]([#1,#6,#7])([#1,#6])[CX3](=[SX1])[NX3]([#1,#6,#7])([#1,#6])"
	],
	[
	"TA1076",
	"[#6][#7+]1=,:[#6]-,:[#7,#8,#16]-,:[#6]=,:[#6]1"
	],
	[
	"TA1079",
	"[CX4][F,Cl,Br,I]"
	],
	[
	"TA1082",
	"[$(c([F,Cl,Br,I])c[$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$(c([F,Cl,Br,I])aac[$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$(c([F,Cl,Br,I])n),$(c([F,Cl,Br,I])aan)]"
	],
	[
	"TA1084",
	"[$([#1,#6][CX3]([H])=[OX1]),$([#7]([#1,#6])([#1,#6])[CX3H1]=[OX1])]"
	],
	[
	"TA1085",
	"[#1,#6][NX3]([#1,#6])[NX3]([#1,#6])[#1,#6]"
	],
	[
	"TA1086",
	"[$(-[NX2-]-[NX2+]#[NX1]),$(-[NX2]=[NX2+]=[NX1-]),$(*-[NX2]=[NX2+]=N)]"
	],
	[
	"TA1088",
	"[$([NX4,$([NX4+])]([#1,#6])([#1,#6])([#1,#6])[#1,#6]),$([OX1-,OH1][#7X4+]([])([])([])),$([OX1]=[#7X4v5]([])([])([])),$([OX1]=[Nv5X3&!$([Nv5X3](=[OX1])=[OX1])](=[])([])),$([OX1-,OH1][#7X3+R](~[R])(~[R])),$([OX1]=[#7v5X3R](~[R])(~[R]))]"
	],
	[
	"TA1089",
	"[NX2]=[OX1]"
	],
	[
	"TA1091",
	"[OX2]1[CX4][CX4]1"
	],
	[
	"TA1092",
	"[SX2][SX2]"
	],
	[
	"TA1095",
	"[$(c1([NX3]([#1,#6])[#1,#6])ccccc1),$(c1([OH1])ccccc1)]"
	],
	[
	"TA1096",
	"[CX3R](=[OX1])[CX3R](=[OX1])"
	],
	[
	"TA1097",
	"[CX3]([!R])([!R])=[CX3][CX3](=[OX1])[!$([OH1])!$([OX2][CH2])!$([NH2])!$([CX2]#[NX1])!a]"
	],
	[
	"TA1098",
	"[!#1;!#6;!#7;!#8;!#9;!#11;!#12;!#15;!#16;!#17;!#19;!#20;!#35;!#53]"
	],
	[
	"TA1100",
	"[!#1!#2!#5!#6!#7!#8!#9!#10!#14!#15!#16!#17!#18!#32!#33!#34!#35!#36!#51!#52!#53!#54!#84!#85!#86]"
	],
	[
	"TA1101",
	"NOT [!#6!#1!#7!#8!#9!#17!#35!#53!#15!#14!#16]"
	],
	[
	"TA1102",
	"[!#6!#1!#7!#8!#9!#17!#35!#53!#15!#14!#16]"
	],
	[
	"TA1103",
	"[!#1!#6!#7!#8!#16!#15!#9!#17!#35!#53]"
	],
	[
	"TA1104",
	"C(F)(F)C(F)(F)"
	],
	[
	"TA1106",
	"[+,++,+3,+4,+5,+6,+7,$([#7v4]),$([#8v3])] AND NOT [$([NX2]=[NX2+]=[NX1-]),$([NX2]=[NX2+]=N),$([NX2-]-[NX2+]#[NX1]),$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-]),$([NX2+]#[CX1-]),$([NX2]#[CX1]),$([OX1-,OH1][#7X4+]([])([])([])),$([OX1]=[#7X4v5]([])([])([])),$([OX1-,OH1][#7X3+R](~[R])(~[R])),$([OX1]=[#7v5X3R](~[R])(~[R])),$([+]~[-])]"
	],
	[
	"TA1107",
	"[-,--,-3,-4,-5,-6,-7] AND NOT [$([NX2]=[NX2+]=[NX1-]),$([NX2]=[NX2+]=N),$([NX2-]-[NX2+]#[NX1]),$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-]),$([NX2+]#[CX1-]),$([NX2]#[CX1]),$([OX1-,OH1][#7X4+]([])([])([])),$([OX1]=[#7X4v5]([])([])([])),$([OX1-,OH1][#7X3+R](~[R])(~[R])),$([OX1]=[#7v5X3R](~[R])(~[R])),$([-]~[+])]"
	],
	[
	"TA1108",
	"[$([#1,#6][#6X3](=[OX1])[#1,#6]),$([#6]=[CX2]=[OX1])]"
	],
	[
	"TA1109",
	"[H][CX3]([#1,#6])=[OX1]"
	],
	[
	"TA1110",
	"[#6&!$(C#N)][CX3](=[OX1])[#6&!$(C#N)]"
	],
	[
	"TA1114",
	"[#1,#6][CX3](=[NX2][#1,#6&!$([CX3]=[OX1,SX1,NX2])])[#1,#6]"
	],
	[
	"TA1115",
	"[CX3]([#1,#6])([#1,#6])=[NX2][#7X3]([#1,#6&!$([CX3]=[OX1,SX1,NX2])])[#1,#6&!$([CX3]=[OX1,SX1,NX2])]"
	],
	[
	"TA1116",
	"[#1,#6][CX3]([#1,#6])=[NX2][NX3]([#1,#6&!$([CX3]=[OX1,SX1,NX2])])[CX3](=[OX1])[NX3]([#1,#6&!$([CX3]=[OX1,SX1,NX2])])[#1,#6&!$([CX3]=[OX1,SX1,NX2])]"
	],
	[
	"TA1117",
	"[#1,#6][CX3]([#1,#6])=[NX2][NX3]([#1,#6&!$([CX3]=[OX1,SX1,NX2])])[CX3](=[SX1])[NX3]([#1,#6&!$([CX3]=[OX1,SX1,NX2])])[#1,#6&!$([CX3]=[OX1,SX1,NX2])]"
	],
	[
	"TA1118",
	"[#1,#6][CX3]([#1,#6])=[NX2][OH1]"
	],
	[
	"TA1119",
	"[#1,#6][CX3]([#1,#6])=[NX2][OX2][#6&!$([CX3]=[OX1,SX1,NX2])]"
	],
	[
	"TA1121",
	"[#1,#6][CX3]([#1,#6])=[CX3]([!#6!#1])[!#6!#1]"
	],
	[
	"TA1123",
	"[CH2,$([CH1][#6]),$([CX4]([#6])[#6])]([OH1])[OX2][#6&!$([CX3]=[OX1,SX1,NX2])]"
	],
	[
	"TA1124",
	"[CH2,$([CH1][#6]),$([CX4]([#6])[#6])]([OX2][#6&!$([CX3]=[OX1,SX1,NX2])])[OX2][#6&!$([CX3]=[OX1,SX1,NX2])]"
	],
	[
	"TA1125",
	"[CH2,$([CH1][#6]),$([CX4]([#6])[#6])]([OX2][#1,#6&!$([CX3]=[OX1,SX1,NX2])])[NX3]([#1,])[#1,]"
	],
	[
	"TA1126",
	"[CH2,$([CH1][#6]),$([CX4]([#6])[#6])]([NX3]([#1,])[#1,])[NX3]([#1,])[#1,]"
	],
	[
	"TA1127",
	"[CH2,$([CH1][#6]),$([CX4]([#6])[#6])]([SX2][#1,#6&!$([CX3]=[OX1,SX1,NX2])&!$(C#N)])[NX3]([#1,])[#1,]"
	],
	[
	"TA1128",
	"[CH2,$([CH1][#6]),$([CX4]([#6])[#6])]([SX2][#6&!$([CX3]=[OX1,SX1,NX2])&!$(C#N)])[SX2,OX2][#6&!$([CX3]=[OX1,SX1,NX2])&!$(C#N)]"
	],
	[
	"TA1129",
	"[CX3]([#1,#6])([#1,#6])=[CX3]([#1,#6])[NX3&!$([NX3](=[OX1])=[OX1])&!$([NX3+](=[OX1])[O-])]([#1,])[#1,]"
	],
	[
	"TA1130",
	"[CX3]([#1,#6])([#1,#6])=[CX3]([OH1])[#1,#6]"
	],
	[
	"TA1131",
	"[CX3]([#1,#6])([#1,#6])=[CX3]([OX2][#6&!$([CX3]([OX2])=[OX1,SX1,NX2,C])])[#1,#6]"
	],
	[
	"TA1132",
	"[#6&!$([CX4]([OH1])[#8,#16,#7,#15])&!$([CX3]([OH1])=[OX1,SX1,NH2,C])][OH1]"
	],
	[
	"TA1133",
	"[$([CX4][OH1])&!$(C([OH1])[#7,#8,#15,#16,F,Cl,Br,I])]"
	],
	[
	"TA1134",
	"[$([#6][CH2][OH1]),$([CH3][OH1])]"
	],
	[
	"TA1135",
	"[OH1][CX4H1]([#6])[#6]"
	],
	[
	"TA1136",
	"[CX4]([OH1])([#6])([#6])[#6]"
	],
	[
	"TA1137",
	"[CX4]([OH1])([#1,#6])([#1,#6])[CX4]([OH1])([#1,#6])([#1,#6])"
	],
	[
	"TA1138",
	"[CX4]([#1,#6])([#1,#6])([OH1])[CX4]([#1,#6])([#1,#6])[NH2,$([NH1]([CX4][CX4][OH1])[#6&!$([CX3]=[OX1,SX1,NX2,C])])]"
	],
	[
	"TA1139",
	"c[OH1]"
	],
	[
	"TA1140",
	"[$(c([OH1])c([OH1])),$(c([OH1])[aR1]c([OH1])),$(c1([OH1])aac([OH1])aa1)]"
	],
	[
	"TA1142",
	"[#6&!$([CX4]([OX2])([#7,O,S,F,Cl,Br,I,P]))&!$([CX3]([OX2])=[OX1,SX1,NX2,C])][OX2][#6&!$([CX4]([OX2])([#7,O,S,F,Cl,Br,I,P]))&!$([CX3]([OX2])=[OX1,SX1,NX2,C])]"
	],
	[
	"TA1143",
	"[CX4&!$([CX4]([OX2])([#7,O,S,F,Cl,Br,I,P]))][OX2][CX4&!$([CX4]([OX2])([#7,O,S,F,Cl,Br,I,P]))]"
	],
	[
	"TA1144",
	"[CX4&!$([CX4]([OX2])([#7,O,S,F,Cl,Br,I,P]))][OX2]c"
	],
	[
	"TA1145",
	"c[OX2&!$([OX2r3])]c"
	],
	[
	"TA1146",
	"[#6&!$([CX4]([SX2])([#7,O,S,F,Cl,Br,I,P]))&!$([CX3]([SX2])=[OX1,SX1,NX2,C])&!$([#6][SX2]C#N)][SX2][#6&!$([CX4]([SX2])([#7,O,S,F,Cl,Br,I,P]))&!$([CX3]([SX2])=[OX1,SX1,NX2,C])&!$([#6][SX2]C#N)]"
	],
	[
	"TA1147",
	"[][#16X2][#16X2][]"
	],
	[
	"TA1150",
	"[$([NX4]([#1,#6])([#1,#6])([#1,#6])),$([NX3]([#1,#6])([#1,#6])),$([NX2]=[#1,#6])][$([NX4]([#1,#6])([#1,#6])([#1,#6])),$([NX3]([#1,#6])([#1,#6])),$([NX2]=[#1,#6])]"
	],
	[
	"TA1151",
	"[N&!$([NH1]([CX3]=[OX1,SX1,NX2])[OH1])&!$(N([OH1])([CX3]=[OX1,SX1,NX2])([CX3]=[OX1,SX1,NX2]))]([#1,#6])([#1,#6])[OH1]"
	],
	[
	"TA1152",
	"[NX3]([#1,#6&!$([CX3]=[O,S,N,C])&!$([#6]([NX3])[N,O,S,P])&!$(C([NX3])#N)])([#1,#6&!$([CX3]=[O,S,N,C])&!$([#6]([NX3])[N,O,S,P])&!$(C([NX3])#N)])[#1,#6&!$([CX3]=[O,S,N,C])&!$([#6]([NX3])[N,O,S,P])&!$(C([NX3])#N)]"
	],
	[
	"TA1153",
	"[NX3H2][CX4&!$([CX4]([NH2])[O,N,S,P])]"
	],
	[
	"TA1154",
	"[NX3H2]c"
	],
	[
	"TA1155",
	"[NX3H1]([CX4&!$([CX4]([NX3H1])[O,S,N,P])])[CX4&!$([CX4]([NX3H1])[O,S,N,P])]"
	],
	[
	"TA1156",
	"c[NX3H1][CX4&!$([CX4]([NX3H1])[O,N,S,P])]"
	],
	[
	"TA1157",
	"[NX3H1](c)c"
	],
	[
	"TA1158",
	"[NX3]([CX4&!$([CX4]([NX3])[O,S,N,P])])([CX4&!$([CX4]([NX3])[O,S,N,P])])[CX4&!$([CX4]([NX3])[O,S,N,P])]"
	],
	[
	"TA1159",
	"c[NX3]([CX4&!$([CX4]([NX3])[O,N,S,P])])[c,CX4&!$([CX4]([NX3]c)[O,S,N,P])]"
	],
	[
	"TA1161",
	"[NX4,NX4+]([#6])([#6])([#6])[#6]"
	],
	[
	"TA1162",
	"[$([OX1-,OH1][#7X4+]([])([])([])),$([OX1]=[#7X4v5]([])([])([])),$([OX1]=[Nv5X3&!$([Nv5X3](=[OX1])=[OX1])](=[])([])),$([OX1-,OH1][#7X3+R](~[R])(~[R])),$([OX1]=[#7v5X3R](~[R])(~[R]))]"
	],
	[
	"TA1163",
	"[#6][F,Cl,Br,I]"
	],
	[
	"TA1164",
	"[CX4]F AND NOT [$([CX4](F)[CX3]=[CX3]),$([CX4](F)[CX2]#[CX2]),$([CX4](F)a)]"
	],
	[
	"TA1165",
	"[CX4]Cl AND NOT [$([CX4](Cl)[CX3]=[CX3]),$([CX4](Cl)[CX2]#[CX2]),$([CX4](Cl)a)]"
	],
	[
	"TA1166",
	"[CX4]Br AND NOT [$([CX4](Br)[CX3]=[CX3]),$([CX4](Br)[CX2]#[CX2]),$([CX4](Br)a)]"
	],
	[
	"TA1168",
	"aF"
	],
	[
	"TA1169",
	"aCl"
	],
	[
	"TA1170",
	"aBr"
	],
	[
	"TA1171",
	"aI"
	],
	[
	"TA1175",
	"[#1,#6][CX3](=[OX1])[!#1!#6!$([SH1,SX2])]"
	],
	[
	"TA1176",
	"[#1,#6][CX3](=[OX1])[OX2H1]"
	],
	[
	"TA1177",
	"[#1,#6][CX3](=[OX1])[OX1-]"
	],
	[
	"TA1178",
	"[#1,#6][CX3](=[OX1])[OX2][#6&!$([CX3]=[OX1,SX1,NX2])]"
	],
	[
	"TA1179",
	"[#6R][CX3R](=[OX1])[OX2R][#6R&!$([CX3R]=[OX1,SX1,NX2])]"
	],
	[
	"TA1180",
	"[#1,#6][CX3](=[OX1])[NX3]([#1,#6&!$([CX3]=[OX1,SX1,NX1])])[#1,#6&!$([CX3]=[OX1,SX1,NX1])]"
	],
	[
	"TA1181",
	"[#1,#6][CX3](=[OX1])[NX3H2]"
	],
	[
	"TA1182",
	"[#1,#6][CX3](=[OX1])[NX3H1][#6&!$([CX3]=[OX1,SX1,NX2])]"
	],
	[
	"TA1183",
	"[#1,#6][CX3](=[OX1])[NX3]([#6&!$([CX3]=[OX1,SX1,NX2])])[#6&!$([CX3]=[OX1,SX1,NX2])]"
	],
	[
	"TA1184",
	"[#6R][CX3R](=[OX1])[NX3R]([#1,#6&!$([CX3]=[OX1,SX1,NX2])])[#6R&!$([CX3R]=[OX1,SX1,NX2])]"
	],
	[
	"TA1185",
	"[$([#6,#1][#6X3](=[OX1])[#7X3&!$([#7X3]([]=[OX1,SX1])[#7X3]([]=[OX1,SX1]))][#7X3]),$(C1(=O)[NX3][NX3]C(=O)cc1)]"
	],
	[
	"TA1187",
	"[#1,#6][CX3](=[OX1])[NX3][OH1]"
	],
	[
	"TA1188",
	"[#1,#6][NX2]=[CX3]([#1,#6])[NX3]([#1,#6&!$([CX3]=[OX1,SX1,NX2])])[#1,#6&!$([CX3]=[OX1,SX1,N])]"
	],
	[
	"TA1190",
	"[#1,#6&!$([CX3]=[OX1,SX1])][CX2]#[NX1]"
	],
	[
	"TA1197",
	"[#1,#6][CX3](=[NX2][#1,#6])[OX2][#6&!$([CX3]=[OX1,SX1,NX2,C])]"
	],
	[
	"TA1199",
	"[$([#1,#6][CX3](=[SX1])[!#1!#6]),$([#1,#6][CX3](=[OX1])[SX2])]"
	],
	[
	"TA1201",
	"[$([#1,#6][CX3](=[SX1])[OX2,SX2][#6&!$([CX3]=[OX1,SX1,NX2])]),$([#1,#6][CX3](=[OX1])[SX2][#6&!$([CX3]=[OX1,SX1,NX2])])]"
	],
	[
	"TA1203",
	"[#1,#6][CX3](=[SX1])[NX3]([#1,#6&!$([CX3]=[OX1,SX1,NX1])])[#1,#6&!$([CX3]=[OX1,SX1,NX1])]"
	],
	[
	"TA1206",
	"[$(c(=[OX1])[$(n[#1,#6]),o,s]),$(c(=[OX1])a[$(n[#1,#6]),o,s]),$(c(=[OX1])aa[$(n[#1,#6]),o,s]),$(c(=[OX1])aaa[$(n[#1,#6]),o,s])]"
	],
	[
	"TA1207",
	"[$(c(=[SX1])[$(n[#1,#6]),o,s]),$(c(=[SX1])a[$(n[#1,#6]),o,s]),$(c(=[SX1])aa[$(n[#1,#6]),o,s]),$(c(=[SX1])aaa[$(n[#1,#6]),o,s])]"
	],
	[
	"TA1208",
	"[$(c(=N)[$(n[#1,#6]),o,s]),$(c(=N)a[$(n[#1,#6]),o,s]),$(c(=N)aa[$(n[#1,#6]),o,s]),$(c(=N)aaa[$(n[#1,#6]),o,s])]"
	],
	[
	"TA1209",
	"[CX4&!$([CX4]([F,Cl,Br,I])([F,Cl,Br,I])([F,Cl,Br,I]))]([#1,#6&!$([CX3]=[OX1,SX1,NX2])])([!#1!#6])([!#1!#6])[!#1!#6]"
	],
	[
	"TA1213",
	"[CX3](=[OX1])[NX3][CX3](=[OX1])"
	],
	[
	"TA1214",
	"[CX3](=[OX1])[NX3H1][CX3](=[OX1])"
	],
	[
	"TA1215",
	"[CX3](=[OX1])[NX3H0][CX3](=[OX1])"
	],
	[
	"TA1216",
	"[$([Cv4X4]([!#1!#6])([!#1!#6])([!#1!#6])[!#1!#6]),$([CX3](=[!#1!#6])([!#1!#6])[!#1!#6]),$([CX2](=[!#1!#6])=[!#1!#6]),$([CX2](#[!#1!#6])[!#1!#6])]"
	],
	[
	"TA1225",
	"[NX3]([#1,])([#1,])[CX3](=[OX1])[!#1!#6!#16!$([Pv5])]"
	],
	[
	"TA1227",
	"[#6][OX2][CX3](=[OX1])[NH2,NH1,NX3]"
	],
	[
	"TA1229",
	"[$([NX3&!$([NX3]([CX3]=[SX1])[CX3]=[OX1,SX1,NX2])][CX3](=[SX1])[!#1!#6!#7!$([Pv5])]),$([NX3&!$([NX3]([CX3]=[OX1])[CX3]=[OX1,SX1,NX2])][CX3](=[OX1])[SH1,SX2])]"
	],
	[
	"TA1231",
	"[$([#6][OX2,SX2][CX3](=[SX1])[NX3&!$([NX3]([CX3]=[OX1,SX1])[CX3]=[OX1,SX1])]),$([#6][SX2][CX3](=[OX1])[NX3&!$([NX3]([CX3]=[OX1,SX1])[CX3]=[OX1,SX1])])]"
	],
	[
	"TA1233",
	"[#7&!$([#7]=[#7])&!$([#7][#7H2])&!$([#7][#7H1][#6])&!$([#7][#7]([#1,#6])[#1,#6])&!$([#7][#7]=[#6])][CX3](=[OX1])[#7&!$([#7]=[#7])&!$([#7][#7H2])&!$([#7][#7H1][#6])&!$([#7][#7]([#1,#6])[#1,#6])&!$([#7][#7]=[#6])]"
	],
	[
	"TA1235",
	"[#7&!$([#7]=[#7])&!$([#7][#7H2])&!$([#7][#7H1][#6])&!$([#7][#7]([#1,#6])[#1,#6])&!$([#7][#7]=[#6])][CX3](=S)[#7&!$([#7]=[#7])&!$([#7][#7H2])&!$([#7][#7H1][#6])&!$([#7][#7]([#1,#6])[#1,#6])&!$([#7][#7]=[#6])]"
	],
	[
	"TA1236",
	"[NX3&!$([NX3]([CX3]=[OX1,SX1,NX2])([CX3]=[OX1,SX1,NX2]))]([#1,#6])([#1,#6])[CX3]([S&!$([SX2]([CX3]=N)C=C)])=[NX2][#1,#6]"
	],
	[
	"TA1237",
	"N[CX3](=[NX2][#1,#6])N"
	],
	[
	"TA1238",
	"[$([NX3][CX3](=[OX1])[NX3&!$([NX3]([CX3]=[OX1,SX1])[NX3][CX3]=[OX1,SX1])][NX3])&!$([NX3][CX3](=[OX1])[NX3]N=C)]"
	],
	[
	"TA1240",
	"[#6&!$([CX3]=[OX1,SX1])][$([NX2]=[NX2+]=[NX1-]),$(N=[NX2+]=N),$([NX2-]-[NX2+]#[NX1]),$([NX2]=[NX2]#[NX1])]"
	],
	[
	"TA1241",
	"[#6][NX2]=[NX2][#6]"
	],
	[
	"TA1249",
	"[#6,#7][NX2]=[OX1]"
	],
	[
	"TA1250",
	"[#6&!$([CX3]=[OX1,SX1])][$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]"
	],
	[
	"TA1253",
	"[!#1!#6][Sv6X4](=[OX1])(=[OX1])[!#1!#6]"
	],
	[
	"TA1254",
	"[OH1,O-][Sv6X4](=[OX1])(=[OX1])[OX2,O-]"
	],
	[
	"TA1259",
	"N[Sv6X4](=[OX1])(=[OX1])N"
	],
	[
	"TA1261",
	"[#6][Sv6X4](=[OX1])(=[OX1])[!#1!#6]"
	],
	[
	"TA1262",
	"[#6][Sv6X4](=[OX1])(=[OX1])[OH1,O-]"
	],
	[
	"TA1263",
	"[#6][Sv6X4](=[OX1])(=[OX1])[OX2][#6]"
	],
	[
	"TA1264",
	"[#6][Sv6X4](=[OX1])(=[OX1])N"
	],
	[
	"TA1266",
	"[#6][Sv6X4](=[OX1,SX1,NX2])(=[OX1,SX1,NX2])[#6]"
	],
	[
	"TA1278",
	"[#6&!$([CX3]=[OX1,SX1,N,C])&!$(C#N)][Sv2H1]"
	],
	[
	"TA1280",
	"c[Sv2H1]"
	],
	[
	"TA1281",
	"[OX1]=[Pv5X4]([H,!#6!$([SX2])])([H,!#6!$([SX2])])[H,!#6!$([SX2])]"
	],
	[
	"TA1282",
	"[OX1]=[Pv5X4]([OH1])([O])[O]"
	],
	[
	"TA1283",
	"[OX1]=[Pv5X4]([OX2][#6])([!#6!$([SX2])])[!#6!$([SX2])]"
	],
	[
	"TA1285",
	"[OX1]=[Pv5X4]([NX3])([!#6!$([SX2])])[!#6!$([SX2])]"
	],
	[
	"TA1291",
	"[OX1]=[Pv5X4]([#6])([!#6])[!#6]"
	],
	[
	"TA1292",
	"[OX1]=[Pv5X4]([#6])([OH1])O"
	],
	[
	"TA1293",
	"[OX1]=[Pv5X4]([#6])([OX2][#6])[!#6]"
	],
	[
	"TA1295",
	"[Pv5X4](=[OX1])([#6])([#6])[#6]"
	],
	[
	"TA1300",
	"[CX2]#[CX2]"
	],
	[
	"TA1301",
	"[a]"
	],
	[
	"TA1302",
	"c1ccccc1"
	],
	[
	"TA1303",
	"[R]~[R&!#6]~[*R]"
	],
	[
	"TA1304",
	"[a!#6]"
	],
	[
	"TA1305",
	"[OH1][CX3](=[OX1])[CX4]([#1,#6])([#1,#6])[NH2,$([NH1]([#6])[#6])&!$([NH1](CC(=O)[OH1])[CX3]=[OX1,SX1])]"
	],
	[
	"TA1307",
	"[NX3]([#1,#6&!$([CX3]=[OX1,SX1,NX2,C])])([#1,#6&!$([CX3]=[OX1,SX1,NX2,C])])[CX4][CX4][NX3]([#1,#6&!$([CX3]=[OX1,SX1,NX2,C])])([#1,#6&!$([CX3]=[OX1,SX1,NX2,C])])"
	],
	[
	"TA1311",
	"[OH1][CX3](=[OX1])[CX3]=[CX3]"
	],
	[
	"TA1313",
	"[$(c([OH1])c[NX3]([#1,#6])[#1,#6]),$(c([OH1])[aR1]c[NX3]([#1,#6])[#1,#6]),$(c1([OH1])aac([NX3]([#1,#6])[#1,#6])aa1)]"
	],
	[
	"TA1315",
	"a[F,Cl,Br,I]"
	],
	[
	"TA1316",
	"[CX4][F,Cl,Br,I] AND NOT [$([CX4]([F,Cl,Br,I])[CX3]=[CX3]),$([CX4]([F,Cl,Br,I])[CX2]#[CX2]),$([CX4]([F,Cl,Br,I])a)]"
	],
	[
	"TA1317",
	"[NX3H2][c,CX4&!$([CX4]([NH2])[O,N,S,P])]"
	],
	[
	"TA1318",
	"[NX3H1]([c,CX4&!$([CX4]([NX3H1])[O,S,N,P])])[c,CX4&!$([CX4]([NX3H1])[O,S,N,P])]"
	],
	[
	"TA1319",
	"[NX3]([c,CX4&!$([CX4]([NX3])[O,S,N,P])])([c,CX4&!$([CX4]([NX3])[O,S,N,P])])[c,CX4&!$([CX4]([NX3])[O,S,N,P])]"
	],
	[
	"TA1323",
	"[CX3]=[CX3][CX3]=[CX3]"
	],
	[
	"TA1324",
	"[CX3]=[CX3][CX4][CX3]=[CX3]"
	],
	[
	"TA1325",
	"[F,Cl,Br,I][CX3]=[CX3]"
	],
	[
	"TA1326",
	"[CX4]([F,Cl,Br,I])([F,Cl,Br,I])([F,Cl,Br,I]) AND NOT [CX4]([F,Cl,Br,I])([F,Cl,Br,I])([F,Cl,Br,I])([F,Cl,Br,I])"
	],
	[
	"TA1328",
	"a[CX4][F,Cl,Br,I]"
	],
	[
	"TA1329",
	"a[CX4]F"
	],
	[
	"TA1330",
	"a[CX4]Cl"
	],
	[
	"TA1333",
	"[#3,#11,#19,#37,#55,#87]"
	],
	[
	"TA1339",
	"[#5,#14,#32,#33,#51,#52,#84]"
	],
	[
	"TA1341",
	"[#9,#17,#35,#53,#85,#117]"
	],
	[
	"TA1343",
	"[#8,#16,#34,#52,#84,#116]"
	],
	[
	"TA1344",
	"[#7,#15,#33,#51,#83]"
	],
	[
	"TA1346",
	"[CX3]([#1,#6])([#1,#6])=[CX3]([SX2][#6&!$([CX3]([OX2])=[OX1,SX1,NX2,C])])[#1,#6]"
	],
	[
	"TA1351",
	"[$([#6X3]1=,:[#6X3]-,:[#6X3](=[OX1])-,:[#6X3]=,:[#6X3]-,:[#6X3]1(=[OX1])),$([#6X3]1(=[OX1])-,:[#6X3](=[OX1])-,:[#6X3]=,:[#6X3]-,:[#6X3]=,:[#6X3]1)]"
	],
	[
	"TA1740",
	"[n;R1]1[c;!$(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"
	],
	[
	"TA1741",
	"[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"
	],
	[
	"TA1745",
	"[$(c([C;!R;!$(C-[N,O,S]);!$(C-[H])](=O))1naaaa1),$(c([C;!R;!$(C-[N,O,S]);!$(C-[H])](=O))1naa[n,s,o]1)]"
	],
	[
	"TA1749",
	"P(=O)-[O;!R]-a"
	],
	[
	"TA1750",
	"[C;X4](-[OH,NH1,NH2,SH])(-C#N)"
	],
	[
	"TA1755",
	"[C;!$(C-N)](=O)n1n[c;H1,$(c([;!R]))][c;H1,$(c([;!R]))][c;H1,$(c([*;!R]))]1"
	],
	[
	"TA1758",
	"[$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18]),$([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]),$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18])]"
	],
	[
	"TA1759",
	"[C,c][C;!R](=O)[N;!R][C;!R](=O)[C,c]"
	],
	[
	"TA1762",
	"C(=O)!@C(=O)"
	],
	[
	"TA1763",
	"C(F)(F)(F)C(=O)O"
	],
	[
	"TA1767",
	"[C,c][C;H1](=O)"
	],
	[
	"TA1772",
	"O=C2CC(a3aaaaa3)Oa1aaaaa12"
	],
	[
	"TA1773",
	"[O,N,S;!$(S~O)]!@[C;H1;X4]!@[O,N,S;!$(S~O)]"
	],
	[
	"TA1774",
	"C(=C)1SC(=S)NC(=O)1"
	],
	[
	"TA1775",
	"[$(N#[N+]-[N-]),$([N-]=[N+]=N)]"
	],
	[
	"TA1780",
	"[Si]~[!#6]"
	],
	[
	"TA1784",
	"[C;X4](-[Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))])(-[c,C])(-[c,C])(-[c,C])"
	],
	[
	"TA1792",
	"[$(C=N[O;D1]);!$(C=[N+])][#6][#6]"
	],
	[
	"TA1793",
	"[O,N,S;!$(S~O)]!@[CH2]!@[O,S,N;!$(S~O)]"
	],
	[
	"TA1794",
	"[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))]"
	],
	[
	"TA1797",
	"[C,N]1~[C,N]~N~1"
	],
	[
	"TA1798",
	"C(=O)[O;D1].C(=O)[O;D1].C(=O)[O;D1]"
	],
	[
	"TA1802",
	"P~S"
	],
	[
	"TA1806",
	"[N]=[N;!R]-[N]"
	],
	[
	"TA1807",
	"[CH;!$(C=C)][Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))]"
	],
	[
	"TA1809",
	"[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-]),$(C(=O))])"
	],
	[
	"TA1811",
	"[O,N,S;!$(S~O)]!@[C;H0;X4](!@[O,N,S;!$(S~O)])(C)"
	],
	[
	"TA1815",
	"[$([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))),$(C(c)(C(=O)))])"
	],
	[
	"TA1819",
	"[CH2]1[O,S]C1"
	],
	[
	"TA1821",
	"[CH2]=[C;!$(C-N);!$(C-O)]C(=O)"
	],
	[
	"TA1823",
	"[N;!$(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));!$(N-c)]"
	],
	[
	"TA1824",
	"[CH2][Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))]"
	],
	[
	"TA1829",
	"C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1]"
	],
	[
	"TA1832",
	"P([O;D1])=O.P([O;D1])=O"
	],
	[
	"TA1840",
	"[CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0][CH2,CF2;R0]"
	],
	[
	"TA1843",
	"[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]"
	],
	[
	"TA1846",
	"C(=O)([CH,CH2][Cl,Br,I,$(O(S(=O)(=O)))])"
	],
	[
	"TA1847",
	"[#15]~[N,n]"
	],
	[
	"TA1848",
	"[N,n;H0;+;!$(N~O);!$(n~O)].[N,n;H0;+;!$(N~O);!$(n~O)]"
	],
	[
	"TA1849",
	"C1(=O)~[#6]~[#6]N1"
	],
	[
	"TA1856",
	"c[N;!R;!+]=[N;!R;!+]-c"
	],
	[
	"TA1878",
	"[!C;!c;!H][F,Cl,Br,I]"
	],
	[
	"TA1881",
	"[$([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])]"
	],
	[
	"TA1900",
	"c1c(ccc(c1)N([CX4])[H,CX4])O[CX4]"
	],
	[
	"TA1901",
	"c1c(ccc(c1)[CX4][$([#8!H0]),$([#6]=[#6!H0]),$([#7][CX4])])[#7]([CX4])[CX4]"
	],
	[
	"TA1902",
	"[$([#6!H0][#7]([CH2,CH3])c1[cH]c([H,CH2,CH3])c([CH,CH2][C!H0])[cH][cH]1),$([#6!H0][#7]([CH2,CH3])c1[cH]c([H,CH2,CH3])c([CH3])[cH][cH]1)]"
	],
	[
	"TA1903",
	"C1(=C)C=N[!#1!#6]C1=[OX1]"
	],
	[
	"TA1904",
	"[#6]1([#6](~[!#1!#6]~[#6][!#1!#6][#6]1=[!#1!#6])~[!#1!#6])=[#6!R!H0]"
	],
	[
	"TA1905",
	"c1ccc(c(c1)[#8!H0])[#6]=[#7][#7]"
	],
	[
	"TA1906",
	"[!#1!#6]=[#6]1-,:[#6]=,:[#6]-,:[#6](=[!#1!#6])-,:[#6]=,:[#6]1"
	],
	[
	"TA1907",
	"[N!R]=N"
	],
	[
	"TA1908",
	"[#6][#6](=[!#1!#6!R])[#6](=[!#1!#6!R])[#6,$(S(=O)=O)]"
	],
	[
	"TA1909",
	"N[CX4]c1c([OH1])cccc1"
	],
	[
	"TA1910",
	"N1C(=S)SC(=C)C1=O"
	],
	[
	"TA1911",
	"c1(ccc(cc1)C=N[#7])[OH1]"
	],
	[
	"TA1913",
	"[CH2,CH3]N([CH2,CH3])c1cc([H,CH2,CH3,$(O(c)[CH2][CH2,CH3])])c(-[#7])[cH]c1"
	],
	[
	"TA1914",
	"c1c(ccc(c1)[#6]=[#6])[#7]([CX4])[CX4]"
	],
	[
	"TA1916",
	"[#7]1(c2acccc2)-,:[#6]([CX4])=,:[#6]-,:[#6!H0]=,:[#6]1[CX4]"
	],
	[
	"TA1918",
	"c1ccc(c(c1)[OH1])[OH1]"
	],
	[
	"TA1921",
	"C1(=C)C(N=CS1)=O"
	],
	[
	"TA1930",
	"[#6][#6]=[#6]([F,Cl,Br,I])[#6](=[OX1])[#6]"
	],
	[
	"TA1933",
	"[#6]N1[CH2][CH2]N([CH2][CH2]1)[#7]=[#6!H0]ca"
	],
	[
	"TA1949",
	"c1cccc5c1c(c8c(n5)cccc8)[#7]"
	],
	[
	"TA1959",
	"[$([#7+,#7v4;!$([#7](~[O])~[O])]1([$([OX1,OX1-]),$([CH3]),$([#6H2][C!H0]=[CH2]),$([CH2][CH2][OH1]),$([CH2]C(=[OX1])[#6]),$([CH2]C(=[OX1])[#7!H0]cc),$([CH2][CH3])])=,:[#6]-,:[#6]=,:a-,:[#6]2=,:[#6]1-,:[#6;H]=,:[#6]([H,#7])-,:[#6]=,:[#6]2),$([#7v5;!$([#7](~[O])~[O])]1(=[OX1])=,:[#6]-,:[#6]=,:a-,:[#6]2=,:[#6]1-,:[#6;H]=,:[#6]([H,#7])-,:[#6]=,:[#6]2)]"
	],
	[
	"TA228",
	"[cR1]1([OX2][CX3](=[OX1])[#6])[cR1][cR1][cR1][cR1][cR1]1"
	],
	[
	"TA231",
	"[NX3]1[CX4][CX4][CX3]1(=[OX1])"
	],
	[
	"TA232",
	"[CX3](=[SX1])[SX2]"
	],
	[
	"TA233",
	"[CX4][Cl,Br,I]"
	],
	[
	"TA234",
	"[$([#6][OX2][Sv6X4](=[OX1])(=[OX1])[OX2][#6]),$([#6][Sv6X4](=[OX1])(=[OX1])[OX2][#6])]"
	],
	[
	"TA237",
	"[$([#6X3]1=,:[#6X3]-,:[#6X3](=[OX1])-,:[#6X3]=,:[#6X3]-,:[#6X3]1(=[OX1])),$([#6X3]1(=[OX1])-,:[#6X3](=[OX1])-,:[#6X3]=,:[#6X3]-,:[#6X3]=,:[#6X3]1)]"
	],
	[
	"TA2380",
	"[cH]1c([H,F,Cl,Br,I,$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[OX1-]),$(C#[NX1]),$([SX2]C#[NX1]),$([CX4](Cl)(Cl)(Cl)),$([CX4](F)(F)(F))])c([H,F,Cl,Br,I,$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[OX1-]),$(C#[NX1]),$([SX2]C#[NX1]),$([CX4](Cl)(Cl)(Cl)),$([CX4](F)(F)(F))])c([H,F,Cl,Br,I,$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[OX1-]),$(C#[NX1]),$([SX2]C#[NX1]),$([CX4](Cl)(Cl)(Cl)),$([CX4](F)(F)(F))])[cH]c1[NX3]([H,$(C=[OX1])])C(=[OX1])C([H,OH1,#7])([#6])([#6])"
	],
	[
	"TA2384",
	"[H,CH2,CH3][#7]1-,:[#6]([CH2,CH3,$([a!c](:[#6]-,:[#7])),$([C!H0][#7]),$([C!H0]([CH2,CH3])[N!H0][CH2,CH3]),$([C!H0]([CH2,CH3])[CH2][N!H0][CH2,CH3])])=,:[#6]([CX4!H0])-,:c2[cH]cccc12"
	],
	[
	"TA238",
	"[#1,CX4][OX2][cR1]1[cR1][cR1][cR1]([OX2][#1,CX4])[cR1][cR1]1"
	],
	[
	"TA2390",
	"[!#6!#1]1~~~1"
	],
	[
	"TA2391",
	"[!#6!#1]1~[#6]~[#6]~1"
	],
	[
	"TA2392",
	"[!#6!#1]1-[#6]-[#6]-1"
	],
	[
	"TA239",
	"[#1,CX4][OX2][cR1]1[cR1]([OX2][#1,CX4])[cR1][cR1][cR1][cR1]1"
	],
	[
	"TA2400",
	"[!#6!#1;R1]1~[R1]~[R1]~1"
	],
	[
	"TA2401",
	"[!#6!#1;R1]1~[#6&R1]~[#6&R1]~1"
	],
	[
	"TA2402",
	"[!#6!#1;R1]1-[#6&R1]-[#6&R1]-1"
	],
	[
	"TA2404",
	"[#8R1]1-[#6R1]-[#6R1]-1"
	],
	[
	"TA240",
	"[$([CX3]([#6,$([NX3]([CX3]=[OX1])([#6])[#6]),$([OX2]([CX3]=[OX1])[#6]);!$([OH][CX3]=[OX1]);!$([O-][CX3]=[OX1])])(=[OX1])[CX3]([#6,#1])=[CX3]([!a])([!a])),$([CX3H1](=[OX1])[CX3]([#6,#1])=[CX3])]"
	],
	[
	"TA2449",
	"[!#6!#1;R1]1~[R1]~[R1]~[*R1]~1"
	],
	[
	"TA244",
	"[CX3]([H])(=[OX1])[#1,CX4,a]"
	],
	[
	"TA2450",
	"[!#6!#1;R1]1~[#6R1]~[#6R1]~[#6R1]~1"
	],
	[
	"TA2451",
	"[!#6!#1;R1]1-[#6R1]-[#6R1]-[#6R1]-1"
	],
	[
	"TA2452",
	"[#7R1]1-[#6R1]-[#6R1]-[#6R1]-1"
	],
	[
	"TA245",
	"[CX4,a][CX3](=[OX1])[CX4,a]"
	],
	[
	"TA246",
	"[$([NX3][CH2][NX3]),$([NX3][CH2][OX2]),$([CX4]([F,Cl,Br,I])([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])])[CH2][OH1])]"
	],
	[
	"TA247",
	"[CX4]([OX2])([OX2])([CX4,a])[CX4,a]"
	],
	[
	"TA2480",
	"[!#6!#1]1~[#6]~[#6]~[#6]~1"
	],
	[
	"TA2481",
	"[!#6!#1]1-[#6]-[#6]-[#6]-1"
	],
	[
	"TA2485",
	"[!#6!#1]1~~~*~1"
	],
	[
	"TA2486",
	"[!#6!#1]1~~~~~1"
	],
	[
	"TA2487",
	"[!#6!#1]1~[#6]~[#6]~[#6]~[#6]~1"
	],
	[
	"TA2488",
	"[!#6!#1]1CCCC1"
	],
	[
	"TA2489",
	"[$([!#6!#1]1=CCCC1),$([!#6!#1]1C=CCC1),$([!#6!#1]1CC=CC1),$([!#6!#1]1=CC=CC1);!$(n1cccc1)]"
	],
	[
	"TA248",
	"[CX3]=[CX3]([#6,#1])[OX2]"
	],
	[
	"TA2490",
	"[a!#6]1cccc1"
	],
	[
	"TA2491",
	"[$([!#6!#1]1~[!#6!#1]~[#6]~[#6]~[#6]~1),$([!#6!#1]1~[#6]~[!#6!#1]~[#6]~[#6]~1)]"
	],
	[
	"TA2492",
	"[$([!#6!#1]1[!#6!#1]CCC1),$([!#6!#1]1C[!#6!#1]CC1)]"
	],
	[
	"TA2493",
	"[$([!#6!#1]1=[!#6!#1]C-,=CC1),$([!#6!#1]1[!#6!#1]=CCC1),$([!#6!#1]1[!#6!#1]C=CC1),$([!#6!#1]1=C[!#6!#1]-,=CC1),$([!#6!#1]1C[!#6!#1]CC=1),$([!#6!#1]1C[!#6!#1]C=C1)]"
	],
	[
	"TA2494",
	"[$([a!#6]1[a!#6]ccc1),$([a!#6]1c[a!#6]cc1)]"
	],
	[
	"TA2495",
	"[$([!#6!#1]1~[!#6!#1]~[!#6!#1]~[#6]~[#6]~1),$([!#6!#1]1~[!#6!#1]~[#6]~[!#6!#1]~[#6]~1)]"
	],
	[
	"TA2497",
	"[$([!#6!#1]1=[!#6!#1][!#6!#1]-,=CC1),$([!#6!#1]1[!#6!#1][!#6!#1]CC=1),$([!#6!#1]1[!#6!#1][!#6!#1]C=C1),$([!#6!#1]1=[!#6!#1]C[!#6!#1]-,=C1),$([!#6!#1]1[!#6!#1]C[!#6!#1]C=1),$([!#6!#1]1[!#6!#1]C[!#6!#1]=C1)]"
	],
	[
	"TA2498",
	"[$([a!#6]1[a!#6][a!#6]cc1),$([a!#6]1[a!#6]c[a!#6]c1)]"
	],
	[
	"TA2499",
	"[!#6!#1]1~[!#6!#1]~[!#6!#1]~[!#6!#1]~[#6]~1"
	],
	[
	"TA249",
	"[a][$([NX3H2]),$([NX3H1][CX4,a])]"
	],
	[
	"TA2502",
	"[a!#6]1[a!#6][a!#6][a!#6]c1"
	],
	[
	"TA2507",
	"[!#6!#1;R1]1~[R1]~[R1]~[R1]~[R1]~1"
	],
	[
	"TA2508",
	"[!#6!#1;R1]1~[#6R1]~[#6R1]~[#6R1]~[#6R1]~1"
	],
	[
	"TA2509",
	"[!#6!#1;R1]1[CR1][CR1][CR1][CR1]1"
	],
	[
	"TA2510",
	"[NR1]1[CR1][CR1][CR1][CR1]1"
	],
	[
	"TA2511",
	"[OR1]1[CR1][CR1][CR1][CR1]1"
	],
	[
	"TA2512",
	"[SR1]1[CR1][CR1][CR1][CR1]1"
	],
	[
	"TA2513",
	"[$([!#6!#1;R1]1=[CR1][CR1][CR1][CR1]1),$([!#6!#1;R1]1[CR1]=[CR1][CR1][CR1]1),$([!#6!#1;R1]1[CR1][CR1]=[CR1][CR1]1),$([!#6!#1;R1]1=[CR1][CR1]=[CR1][CR1]1);!$(n1cccc1)]"
	],
	[
	"TA2514",
	"[$([NR1]1=[CR1][CR1][CR1][CR1]1),$([NR1]1[CR1]=[CR1][CR1][CR1]1),$([NR1]1[CR1][CR1]=[CR1][CR1]1)]"
	],
	[
	"TA2516",
	"[NR1]1[CR1]=[CR1][CR1][CR1]1"
	],
	[
	"TA2517",
	"[NR1]1[CR1][CR1]=[CR1][CR1]1"
	],
	[
	"TA2518",
	"[$([OR1]1[CR1]=[CR1][CR1][CR1]1),$([OR1]1[CR1][CR1]=[CR1][CR1]1)]"
	],
	[
	"TA2520",
	"[OR1]1[CR1][CR1]=[CR1][CR1]1"
	],
	[
	"TA2521",
	"[$([SR1]1[CR1]=[CR1][CR1][CR1]1),$([SR1]1[CR1][CR1]=[CR1][CR1]1)]"
	],
	[
	"TA2524",
	"[a!#6;R1]1[cR1][cR1][cR1][cR1]1"
	],
	[
	"TA2525",
	"[nR1]1[cR1][cR1][cR1][cR1]1"
	],
	[
	"TA2526",
	"[oR1]1[cR1][cR1][cR1][cR1]1"
	],
	[
	"TA2527",
	"[sR1]1[cR1][cR1][cR1][cR1]1"
	],
	[
	"TA2528",
	"[cR1]1[cR1][cR1][cR1][cR2]2[nR1][cR1][cR1][cR2]12"
	],
	[
	"TA2529",
	"[cR1]1[cR1][cR1][cR1][cR2]2[oR1][cR1][cR1][cR2]12"
	],
	[
	"TA2530",
	"[cR1]1[cR1][cR1][cR1][cR2]2[sR1][cR1][cR1][cR2]12"
	],
	[
	"TA2531",
	"[$([!#6!#1;R1]1~[!#6!#1;R1]~[#6R1]~[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[#6R1]~[!#6!#1;R1]~[#6R1]~[#6R1]~1)]"
	],
	[
	"TA2532",
	"[$([!#6!#1;R1]1[!#6!#1;R1][CR1][CR1][CR1]1),$([!#6!#1;R1]1[CR1][!#6!#1;R1][CR1][CR1]1)]"
	],
	[
	"TA2533",
	"[$([NR1]1[NR1][CR1][CR1][CR1]1),$([NR1]1[CR1][NR1][CR1][CR1]1)]"
	],
	[
	"TA2535",
	"[NR1]1[CR1][NR1][CR1][CR1]1"
	],
	[
	"TA2536",
	"[$([OR1]1[OR1][CR1][CR1][CR1]1),$([OR1]1[CR1][OR1][CR1][CR1]1)]"
	],
	[
	"TA2538",
	"[OR1]1[CR1][OR1][CR1][CR1]1"
	],
	[
	"TA2542",
	"[$([!#6!#1;R1]1=[!#6!#1;R1][CR1]-,=[CR1][CR1]1),$([!#6!#1;R1]1[!#6!#1;R1]=[CR1][CR1][CR1]1),$([!#6!#1;R1]1[!#6!#1;R1][CR1]=[CR1][CR1]1),$([!#6!#1;R1]1=[CR1][!#6!#1;R1]-,=[CR1][CR1]1),$([!#6!#1;R1]1[CR1][!#6!#1;R1][CR1][CR1]=1),$([!#6!#1;R1]1[CR1][!#6!#1;R1][CR1]=[CR1]1)]"
	],
	[
	"TA2543",
	"[$([NR1]1=[NR1][CR1][CR1][CR1]1),$([NR1]1[NR1]=[CR1][CR1][CR1]1),$([NR1]1[NR1][CR1]=[CR1][CR1]1)]"
	],
	[
	"TA2545",
	"[NR1]1[NR1]=[CR1][CR1][CR1]1"
	],
	[
	"TA2546",
	"[$([NR1]1=[CR1][NR1][CR1][CR1]1),$([NR1]1[CR1][NR1]=[CR1][CR1]1),$([NR1]1[CR1][NR1][CR1]=[CR1]1)]"
	],
	[
	"TA2547",
	"[NR1]1=[CR1][NR1][CR1][CR1]1"
	],
	[
	"TA254",
	"[CX4]1[CX4][OX2]1"
	],
	[
	"TA2556",
	"[$([a!#6;R1]1[a!#6;R1][cR1][cR1][cR1]1),$([a!#6;R1]1[cR1][a!#6;R1][cR1][cR1]1)]"
	],
	[
	"TA2557",
	"[$([nR1]1[nR1][cR1][cR1][cR1]1),$([nR1]1[cR1][nR1][cR1][cR1]1)]"
	],
	[
	"TA2558",
	"[nR1]1[nR1][cR1][cR1][cR1]1"
	],
	[
	"TA2559",
	"[nR1]1[cR1][nR1][cR1][cR1]1"
	],
	[
	"TA2560",
	"[$([oR1]1[nR1][cR1][cR1][cR1]1),$([oR1]1[cR1][nR1][cR1][cR1]1)]"
	],
	[
	"TA2561",
	"[oR1]1[nR1][cR1][cR1][cR1]1"
	],
	[
	"TA2562",
	"[oR1]1[cR1][nR1][cR1][cR1]1"
	],
	[
	"TA2563",
	"[$([sR1]1[nR1][cR1][cR1][cR1]1),$([sR1]1[cR1][nR1][cR1][cR1]1)]"
	],
	[
	"TA2564",
	"[sR1]1[nR1][cR1][cR1][cR1]1"
	],
	[
	"TA2565",
	"[sR1]1[cR1][nR1][cR1][cR1]1"
	],
	[
	"TA2566",
	"[$([!#6!#1;R1]1~[!#6!#1;R1]~[!#6!#1;R1]~[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[!#6!#1;R1]~[#6R1]~[!#6!#1;R1]~[#6R1]~1)]"
	],
	[
	"TA257",
	"[CX4,a][NX3H1][CX4][CX4][NX3H1][CX4,a]"
	],
	[
	"TA2582",
	"[$([a!#6;R1]1[a!#6;R1][a!#6;R1][cR1][cR1]1),$([a!#6;R1]1[a!#6;R1][cR1][a!#6;R1][cR1]1)]"
	],
	[
	"TA2583",
	"[$([nR1]1[nR1][nR1][cR1][cR1]1),$([nR1]1[nR1][cR1][nR1][cR1]1)]"
	],
	[
	"TA2584",
	"[nR1]1[nR1][nR1][cR1][cR1]1"
	],
	[
	"TA2585",
	"[nR1]1[nR1][cR1][nR1][cR1]1"
	],
	[
	"TA2586",
	"[$([oR1]1[nR1][nR1][cR1][cR1]1),$([oR1]1[nR1][cR1][nR1][cR1]1),$([oR1]1[nR1][cR1][cR1][nR1]1),$([oR1]1[cR1][nR1][nR1][cR1]1)]"
	],
	[
	"TA2588",
	"[oR1]1[nR1][cR1][nR1][cR1]1"
	],
	[
	"TA2589",
	"[oR1]1[nR1][cR1][cR1][nR1]1"
	],
	[
	"TA258",
	"[$([a][NX2]=[NX2]c1c([$([NH2]),$([NX3H1][CX4]),$([NX3]([CX4])[CX4]),$([NX3H1][CX3](=[OX1])[CH3]),$([NX3H1][CX3](=[OX1])[CX4]),$([OH]),$([O-]),$([OX2][CX4]),$([CH3]),$([CH2][CH3]),$([CH]=[CH2])])cccc1),$([a][NX2]=[NX2]c1ccc([$([NH2]),$([NX3H1][CX4]),$([NX3]([CX4])[CX4]),$([NX3H1][CX3](=[OX1])[CH3]),$([NX3H1][CX3](=[OX1])[CX4]),$([OH]),$([O-]),$([OX2][CX4]),$([CH3]),$([CH2][CH3]),$([CH]=[CH2])])cc1),$([a][NX2]=[NX2]c1c([$([NH2]),$([NX3H1][CX4]),$([NX3]([CX4])[CX4]),$([NX3H1][CX3](=[OX1])[CH3]),$([NX3H1][CX3](=[OX1])[CX4]),$([OH]),$([O-]),$([OX2][CX4]),$([CH3]),$([CH2][CH3]),$([CH]=[CH2])])cc([$([NH2]),$([NX3H1][CX4]),$([NX3]([CX4])[CX4]),$([NX3H1][CX3](=[OX1])[CH3]),$([NX3H1][CX3](=[OX1])[CX4]),$([OH]),$([O-]),$([OX2][CX4]),$([CH3]),$([CH2][CH3]),$([CH]=[CH2])])cc1),$([a][NX2]=[NX2]c1c([$([NH2]),$([NX3H1][CX4]),$([NX3]([CX4])[CX4]),$([NX3H1][CX3](=[OX1])[CH3]),$([NX3H1][CX3](=[OX1])[CX4]),$([OH]),$([O-]),$([OX2][CX4]),$([CH3]),$([CH2][CH3]),$([CH]=[CH2])])cc([$([NH2]),$([NX3H1][CX4]),$([NX3]([CX4])[CX4]),$([NX3H1][CX3](=[OX1])[CH3]),$([NX3H1][CX3](=[OX1])[CX4]),$([OH]),$([O-]),$([OX2][CX4]),$([CH3]),$([CH2][CH3]),$([CH]=[CH2])])cc1[$([NH2]),$([NX3H1][CX4]),$([NX3]([CX4])[CX4]),$([NX3H1][CX3](=[OX1])[CH3]),$([NX3H1][CX3](=[OX1])[CX4]),$([OH]),$([O-]),$([OX2][CX4]),$([CH3]),$([CH2][CH3]),$([CH]=[CH2])])]"
	],
	[
	"TA2590",
	"[oR1]1[cR1][nR1][nR1][cR1]1"
	],
	[
	"TA2591",
	"[!#6!#1;R1]1~[!#6!#1;R1]~[!#6!#1;R1]~[!#6!#1;R1]~[#6R1]~1"
	],
	[
	"TA2597",
	"[a!#6;R1]1[a!#6;R1][a!#6;R1][a!#6;R1][cR1]1"
	],
	[
	"TA2598",
	"[nR1]1[nR1][nR1][nR1][cR1]1"
	],
	[
	"TA259",
	"[NX4+]([CX4,a])([CX4,a])([CX4,a])[CX4,a]"
	],
	[
	"TA260",
	"[$(n1c([F,Cl])ncnc1),$(n1c([F,Cl])ccnc1),$(n1c([F,Cl])nccc1)]"
	],
	[
	"TA2615",
	"[!#6!#1]1~~~~~*~1"
	],
	[
	"TA2616",
	"[!#6!#1]1~[#6]~[#6]~[#6]~[#6]~[#6]~1"
	],
	[
	"TA2617",
	"[!#6!#1]1CCCCC1"
	],
	[
	"TA2618",
	"[$([!#1!#6]1=C~C~C~C~C~1),$([!#1!#6]1~C=C~C~C~C~1),$([!#1!#6]1~C~C=C~C~C~1);!$([a!c]1ccccc1)]"
	],
	[
	"TA2619",
	"[a!c]1ccccc1"
	],
	[
	"TA261",
	"[$([cR1]1[cR1][cR1][cR1][cR2]2[nR1][cR1]([F,Cl])[cR1]([$([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CX3](=[OX1])[OX2][#1,#6]),$([Sv6X4](=[OX1])(=[OX1])[OH]),$([CX3](=[OX1])[#1,F,Cl,Br,I]),$([CX2]#[NX1]),$([CX4]([F,Cl])([F,Cl])[F,Cl]),$([CH2][OH]),$([CH2][$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CH2][F,Cl])])[cR1][cR2]12),$([cR1]1[cR1][cR1][cR1][cR2]2[nR1][cR1][cR1]([$([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CX3](=[OX1])[OX2][#1,#6]),$([Sv6X4](=[OX1])(=[OX1])[OH]),$([CX3](=[OX1])[#1,F,Cl,Br,I]),$([CX2]#[NX1]),$([CX4]([F,Cl])([F,Cl])[F,Cl]),$([CH2][OH]),$([CH2][$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CH2][F,Cl])])[cR1]([F,Cl])[cR2]12),$([cR1]1[cR1][cR1][cR1][cR2]2[cR1]([F,Cl])[nR1][cR1][cR1]([$([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CX3](=[OX1])[OX2][#1,#6]),$([Sv6X4](=[OX1])(=[OX1])[OH]),$([CX3](=[OX1])[#1,F,Cl,Br,I]),$([CX2]#[NX1]),$([CX4]([F,Cl])([F,Cl])[F,Cl]),$([CH2][OH]),$([CH2][$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CH2][F,Cl])])[cR2]12),$([cR1]1[cR1][cR1][cR1][cR2]2[cR1][nR1][cR1]([F,Cl])[cR1]([$([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CX3](=[OX1])[OX2][#1,#6]),$([Sv6X4](=[OX1])(=[OX1])[OH]),$([CX3](=[OX1])[#1,F,Cl,Br,I]),$([CX2]#[NX1]),$([CX4]([F,Cl])([F,Cl])[F,Cl]),$([CH2][OH]),$([CH2][$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CH2][F,Cl])])[cR2]12),$([nR1]1[cR1]([F,Cl])[cR1]([$([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CX3](=[OX1])[OX2][#1,#6]),$([Sv6X4](=[OX1])(=[OX1])[OH]),$([CX3](=[OX1])[#1,F,Cl,Br,I]),$([CX2]#[NX1]),$([CX4]([F,Cl])([F,Cl])[F,Cl]),$([CH2][OH]),$([CH2][$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CH2][F,Cl])])[cR1][cR1][cR1]1),$([nR1]1[cR1][cR1]([$([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CX3](=[OX1])[OX2][#1,#6]),$([Sv6X4](=[OX1])(=[OX1])[OH]),$([CX3](=[OX1])[#1,F,Cl,Br,I]),$([CX2]#[NX1]),$([CX4]([F,Cl])([F,Cl])[F,Cl]),$([CH2][OH]),$([CH2][$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CH2][F,Cl])])[cR1]([F,Cl])[cR1][cR1]1),$([nR1]1[cR1]([F,Cl])[cR1][cR1][cR1]([$([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CX3](=[OX1])[OX2][#1,#6]),$([Sv6X4](=[OX1])(=[OX1])[OH]),$([CX3](=[OX1])[#1,F,Cl,Br,I]),$([CX2]#[NX1]),$([CX4]([F,Cl])([F,Cl])[F,Cl]),$([CH2][OH]),$([CH2][$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CH2][F,Cl])])[cR1]1),$([nR1]1[cR1][cR1][cR1]([F,Cl])[cR1]([$([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CX3](=[OX1])[OX2][#1,#6]),$([Sv6X4](=[OX1])(=[OX1])[OH]),$([CX3](=[OX1])[#1,F,Cl,Br,I]),$([CX2]#[NX1]),$([CX4]([F,Cl])([F,Cl])[F,Cl]),$([CH2][OH]),$([CH2][$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CH2][F,Cl])])[cR1]1)]"
	],
	[
	"TA2620",
	"[$([!#6!#1]1~[!#6!#1]~[#6]~[#6]~[#6]~[#6]~1),$([!#6!#1]1~[#6]~[!#6!#1]~[#6]~[#6]~[#6]~1),$([!#6!#1]1~[#6]~[#6]~[!#6!#1]~[#6]~[#6]~1)]"
	],
	[
	"TA2621",
	"[$([!#6!#1]1[!#6!#1]CCCC1),$([!#6!#1]1C[!#6!#1]CCC1),$([!#6!#1]1CC[!#6!#1]CC1)]"
	],
	[
	"TA2622",
	"[$([!#6!#1]1=[!#6!#1]~[#6]~[#6]~[#6]~[#6]~1),$([!#6!#1]1~[!#6!#1]=[#6]~[#6]~[#6]~[#6]~1),$([!#6!#1]1~[!#6!#1]~[#6]=[#6]~[#6]~[#6]~1),$([!#6!#1]1~[!#6!#1]~[#6]~[#6]=[#6]~[#6]~1),$([!#6!#1]1~[#6]~[!#6!#1]~[#6]~[#6]~[#6]=1),$([!#6!#1]1=[#6]~[!#6!#1]~[#6]~[#6]~[#6]~1),$([!#6!#1]1~[#6]~[!#6!#1]~[#6]~[#6]=[#6]~1),$([!#6!#1]1=[#6]~[#6]~[!#6!#1]~[#6]~[#6]~1),$([!#6!#1]1~[#6]=[#6]~[!#6!#1]~[#6]~[#6]~1);!$([a!c]1[a!c]cccc1);!$([a!c]1c[a!c]ccc1);!$([a!c]1cc[a!c]cc1)]"
	],
	[
	"TA2623",
	"[$([a!c]1[a!c]cccc1),$([a!c]1c[a!c]ccc1),$([a!c]1cc[a!c]cc1)]"
	],
	[
	"TA2624",
	"[$([!#6!#1]1~[!#6!#1]~[!#6!#1]~[#6]~[#6]~[#6]~1),$([!#6!#1]1~[!#6!#1]~[#6]~[!#6!#1]~[#6]~[#6]~1),$([!#6!#1]1~[#6]~[!#6!#1]~[#6]~[!#6!#1]~[#6]~1)]"
	],
	[
	"TA2625",
	"[$([!#6!#1]1[!#6!#1][!#6!#1]CCC1),$([!#6!#1]1[!#6!#1]C[!#6!#1]CC1),$([!#6!#1]1C[!#6!#1]C[!#6!#1]C1)]"
	],
	[
	"TA2626",
	"[$([!#6!#1]1=[!#6!#1]~[!#6!#1]~[#6]~[#6]~[#6]~1),$([!#6!#1]1~[!#6!#1]~[!#6!#1]=[#6]~[#6]~[#6]~1),$([!#6!#1]1~[!#6!#1]~[!#6!#1]~[#6]=[#6]~[#6]~1),$([!#6!#1]1=[!#6!#1]~[#6]~[!#6!#1]~[#6]~[#6]~1),$([!#6!#1]1~[!#6!#1]=[#6]~[!#6!#1]~[#6]~[#6]~1),$([!#6!#1]1~[!#6!#1]~[#6]=[!#6!#1]~[#6]~[#6]~1),$([!#6!#1]1~[!#6!#1]~[#6]~[!#6!#1]=[#6]~[#6]~1),$([!#6!#1]1~[!#6!#1]~[#6]~[!#6!#1]~[#6]=[#6]~1),$([!#6!#1]1=[#6]~[!#6!#1]~[#6]~[!#6!#1]~[#6]~1);!$([a!c]1[a!c][a!c]ccc1);!$([a!c]1[a!c]c[a!c]cc1);!$([a!c]1c[a!c]c[a!c]c1)]"
	],
	[
	"TA2627",
	"[$([a!c]1[a!c][a!c]ccc1),$([a!c]1[a!c]c[a!c]cc1),$([a!c]1c[a!c]c[a!c]c1)]"
	],
	[
	"TA262",
	"[$([NX3H2][NX3]([#1,#6;!$([CX3](=[OX1])[#1,#6])])[#1,#6;!$([CX3](=[OX1])[#1,#6])]),$([NX4H2+]([#1,#6;!$([CX3](=[OX1])[#1,#6])])[NX3]([#1,#6;!$([CX3](=[OX1])[#1,#6])])[#1,#6;!$([CX3](=[OX1])[#1,#6])]),$([NX4H3+][NX4H2+][#1,#6;!$([CX3](=[OX1])[#1,#6])]),$([NX3!R]([#1,#6!R;!$([CX3](=[OX1])[#1,#6])])([#1,#6!R;!$([CX3](=[OX1])[#1,#6])])[NX2!R]=[CX3!R]([!R])([!R])),$([NX3!R]([#1,#6!R;!$([CX3](=[OX1])[#1,#6])])([#1,#6!R;!$([CX3](=[OX1])[#1,#6])])[NX3+!R]=[CX3!R]([!R])([!R]))]"
	],
	[
	"TA2639",
	"[!#6!#1;R1]1~[R1]~[R1]~[R1]~[R1]~[*R1]~1"
	],
	[
	"TA2640",
	"[!#6!#1;R1]1~[#6R1]~[#6R1]~[#6R1]~[#6R1]~[#6R1]~1"
	],
	[
	"TA2641",
	"[!#6!#1;R1]1[CR1][CR1][CR1][CR1][CR1]1"
	],
	[
	"TA2642",
	"[NR1]1[CR1][CR1][CR1][CR1][CR1]1"
	],
	[
	"TA2643",
	"[OR1]1[CR1][CR1][CR1][CR1][CR1]1"
	],
	[
	"TA2645",
	"[$([!#1!#6;R1]1=[CR1]~[CR1]~[CR1]~[CR1]~[CR1]~1),$([!#1!#6;R1]1~[CR1]=[CR1]~[CR1]~[CR1]~[CR1]~1),$([!#1!#6;R1]1~[CR1]~[CR1]=[CR1]~[CR1]~[CR1]~1);!$([a!c]1ccccc1)]"
	],
	[
	"TA2646",
	"[$([NR1]1=[CR1][CR1][CR1][CR1][CR1]1),$([NR1]1[CR1]=[CR1][CR1][CR1][CR1]1),$([NR1]1[CR1][CR1]=[CR1][CR1][CR1]1)]"
	],
	[
	"TA2647",
	"[$([NR1]1=[CR1][CR1]-,=[CR1]-,=[CR1][CR1]1),$([NR1]1[CR1]=[CR1][CR1][CR1]-,=[CR1]-,=1),$([NR1]1[CR1]=[CR1][CR1]=[CR1][CR1]1)]"
	],
	[
	"TA2648",
	"[OR1]1[CR1]=[CR1][CR1]-,=[CR1]-,=[CR1]1"
	],
	[
	"TA264",
	"[CX3H1](=[OX1])[#1,#6]"
	],
	[
	"TA2650",
	"[a!c;R1]1[cR1][cR1][cR1][cR1][cR1]1"
	],
	[
	"TA2651",
	"[nR1]1[cR1][cR1][cR1][cR1][cR1]1"
	],
	[
	"TA2652",
	"[$([!#6!#1;R1]1~[!#6!#1]~[#6R1]~[#6R1]~[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[#6R1]~[!#6!#1]~[#6R1]~[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[#6R1]~[#6R1]~[!#6!#1]~[#6R1]~[#6R1]~1)]"
	],
	[
	"TA2653",
	"[$([!#6!#1;R1]1[!#6!#1;R1][CR1][CR1][CR1][CR1]1),$([!#6!#1;R1]1[CR1][!#6!#1;R1][CR1][CR1][CR1]1),$([!#6!#1;R1]1[CR1][CR1][!#6!#1;R1][CR1][CR1]1)]"
	],
	[
	"TA2654",
	"[$([NR1]1[NR1][CR1][CR1][CR1][CR1]1),$([NR1]1[CR1][NR1][CR1][CR1][CR1]1),$([NR1]1[CR1][CR1][NR1][CR1][CR1]1)]"
	],
	[
	"TA2655",
	"[$([OR1]1[OR1][CR1][CR1][CR1][CR1]1),$([OR1]1[CR1][OR1][CR1][CR1][CR1]1),$([OR1]1[CR1][CR1][OR1][CR1][CR1]1)]"
	],
	[
	"TA2657",
	"[NR1]1[CR1][CR1][OR1][CR1][CR1]1"
	],
	[
	"TA2658",
	"[$([!#6!#1;R1]1=[!#6!#1;R1]~[#6R1]~[#6R1]~[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[!#6!#1;R1]=[#6R1]~[#6R1]~[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[!#6!#1;R1]~[#6R1]=[#6R1]~[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[!#6!#1;R1]~[#6R1]~[#6R1]=[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[#6R1]~[!#6!#1;R1]~[#6R1]~[#6R1]~[#6R1]=1),$([!#6!#1;R1]1=[#6R1]~[!#6!#1;R1]~[#6R1]~[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[#6R1]~[!#6!#1;R1]~[#6R1]~[#6R1]=[#6R1]~1),$([!#6!#1;R1]1=[#6R1]~[#6R1]~[!#6!#1;R1]~[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[#6R1]=[#6R1]~[!#6!#1;R1]~[#6R1]~[#6R1]~1);!$([a!c]1[a!c]cccc1);!$([a!c]1c[a!c]ccc1);!$([a!c]1cc[a!c]cc1)]"
	],
	[
	"TA2659",
	"[$([NR1]1=[NR1][CR1][CR1][CR1][CR1]1),$([NR1]1[NR1]=[CR1][CR1][CR1][CR1]1),$([NR1]1[NR1][CR1]=[CR1][CR1][CR1]1),$([NR1]1[NR1][CR1][CR1]=[CR1][CR1]1),$([NR1]1=[CR1][CR1][NR1][CR1][CR1]1),$([NR1]1[CR1]=[CR1][NR1][CR1][CR1]1),$([NR1]1=[CR1][NR1][CR1][CR1][CR1]1),$([NR1]1[CR1][NR1]=[CR1][CR1][CR1]1),$([NR1]1[CR1][NR1][CR1]=[CR1][CR1]1)]"
	],
	[
	"TA2660",
	"[$([NR1]1=[NR1][CR1]=[CR1][CR1][CR1]1),$([NR1]1=[NR1][CR1]=[CR1][CR1][CR1]1),$([NR1]1[NR1][CR1]=[CR1][CR1]=[CR1]1),$([NR1]1[NR1]=[CR1][CR1]=[CR1][CR1]1),$([NR1]1[NR1]=[CR1][CR1][CR1]=[CR1]1),$([NR1]1[NR1]=[CR1][CR1][CR1][CR1]=1),$([NR1]1[CR1][NR1]=[CR1][CR1][CR1]=1),$([NR1]1=[CR1][NR1]=[CR1][CR1][CR1]1),$([NR1]1=[CR1][NR1][CR1]=[CR1][CR1]1),$([NR1]1=[CR1][NR1][CR1][CR1]=[CR1]1),$([NR1]1[CR1][NR1]=[CR1][CR1]=[CR1]1),$([NR1]1=[CR1][CR1]=[NR1][CR1][CR1]1),$([NR1]1=[CR1][CR1][NR1]=[CR1][CR1]1),$([NR1]1=[CR1][CR1][NR1][CR1]=[CR1]1),$([NR1]1[CR1]=[CR1][NR1][CR1]=[CR1]1)]"
	],
	[
	"TA2662",
	"[$([a!c;R1]1[a!c;R1][cR1][cR1][cR1][cR1]1),$([a!c;R1]1[cR1][a!c;R1][cR1][cR1][cR1]1),$([a!c;R1]1[cR1][cR1][a!c;R1][cR1][cR1]1)]"
	],
	[
	"TA2663",
	"[nR1]1[nR1][cR1][cR1][cR1][cR1]1"
	],
	[
	"TA2664",
	"[nR1]1[cR1][nR1][cR1][cR1][cR1]1"
	],
	[
	"TA2665",
	"[nR1]1[cR1][cR1][nR1][cR1][cR1]1"
	],
	[
	"TA2666",
	"[$([!#6!#1;R1]1~[!#6!#1;R1]~[!#6!#1;R1]~[#6R1]~[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[!#6!#1;R1]~[#6R1]~[!#6!#1;R1]~[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[#6R1]~[!#6!#1;R1]~[#6R1]~[!#6!#1;R1]~[#6R1]~1)]"
	],
	[
	"TA2667",
	"[$([!#6!#1;R1]1[!#6!#1;R1][!#6!#1;R1][CR1][CR1][CR1]1),$([!#6!#1;R1]1[!#6!#1;R1][CR1][!#6!#1;R1][CR1][CR1]1),$([!#6!#1;R1]1[CR1][!#6!#1;R1][CR1][!#6!#1;R1][CR1]1)]"
	],
	[
	"TA2671",
	"[$([!#6!#1;R1]1=[!#6!#1;R1]~[!#6!#1;R1]~[#6R1]~[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[!#6!#1;R1]~[!#6!#1;R1]=[#6R1]~[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[!#6!#1;R1]~[!#6!#1;R1]~[#6R1]=[#6R1]~[#6R1]~1),$([!#6!#1;R1]1=[!#6!#1;R1]~[#6R1]~[!#6!#1;R1]~[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[!#6!#1;R1]=[#6R1]~[!#6!#1;R1]~[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[!#6!#1;R1]~[#6R1]=[!#6!#1;R1]~[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[!#6!#1;R1]~[#6R1]~[!#6!#1;R1]=[#6R1]~[#6R1]~1),$([!#6!#1;R1]1~[!#6!#1;R1]~[#6R1]~[!#6!#1;R1]~[#6R1]=[#6R1]~1),$([!#6!#1;R1]1=[#6R1]~[!#6!#1;R1]~[#6R1]~[!#6!#1;R1]~[#6R1]~1);!$([a!c]1[a!c][a!c]ccc1);!$([a!c]1[a!c]c[a!c]cc1);!$([a!c]1c[a!c]c[a!c]c1)]"
	],
	[
	"TA2672",
	"[$([a!c;R1]1[a!c;R1][a!c;R1][cR1][cR1][cR1]1),$([a!c;R1]1[a!c;R1][cR1][a!c;R1][cR1][cR1]1),$([a!c;R1]1[cR1][a!c;R1][cR1][a!c;R1][cR1]1)]"
	],
	[
	"TA2673",
	"[$([nR1]1[nR1][nR1][cR1][cR1][cR1]1),$([nR1]1[nR1][cR1][nR1][cR1][cR1]1),$([nR1]1[cR1][nR1][cR1][nR1][cR1]1)]"
	],
	[
	"TA2701",
	"[!#8!#7!#16][CX3]([!#8!#7!#16])=[CX3]([!#8!#7!#16])[!#8!#7!#16] AND NOT [$([CX3]=[CX2]=[CX3]),$([CX3]=[CX3][CX3]=[CX3]),$([CX3]=[CX3][CX4][CX3]=[CX3])]"
	],
	[
	"TA2706",
	"[CX3]=[CX3][CX4][F,Cl,Br,I]"
	],
	[
	"TA2714",
	"Cl[CX3]=[CX3]"
	],
	[
	"TA2715",
	"Br[CX3]=[CX3]"
	],
	[
	"TA271",
	"[OX2]1[CX4]([#1,c,$([CH3]),$([CH2][CH3]),$([CH2][CH2][CH3]),$([CH]([CH3])[CH3]),$([CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH3]),$([CH2][CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH2][CH3]),$([CH2][CH]([CH3])[CH2][CH3]),$([CH2][CH2][CH]([CH3])[CH3]),$([CH]([CH2][CH3])[CH2][CH3]),$([CH]([CH3])[CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH2][CH3]),$([CH2][CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH2]),$([CX4]1[CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4][CX4]1),$([CH2]c1ccccc1)])[CX4]1([#1,c,$([CH3]),$([CH2][CH3]),$([CH2][CH2][CH3]),$([CH]([CH3])[CH3]),$([CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH3]),$([CH2][CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH2][CH3]),$([CH2][CH]([CH3])[CH2][CH3]),$([CH2][CH2][CH]([CH3])[CH3]),$([CH]([CH2][CH3])[CH2][CH3]),$([CH]([CH3])[CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH2][CH3]),$([CH2][CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH2]),$([CX4]1[CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4][CX4]1),$([CH2]c1ccccc1)])([CX4])"
	],
	[
	"TA2726",
	"[CX4&!$([CX4]([SX2])([#7,O,S,F,Cl,Br,I,P]))][SX2][CX4&!$([CX4]([SX2])([#7,O,S,F,Cl,Br,I,P]))]"
	],
	[
	"TA2727",
	"[CX4&!$([CX4]([SX2])([#7,O,S,F,Cl,Br,I,P]))][SX2]c"
	],
	[
	"TA2728",
	"c[SX2&!$([SX2r3])]c"
	],
	[
	"TA2730",
	"c([OH1])c([OH1])"
	],
	[
	"TA2731",
	"c([OH1])[aR1]c([OH1])"
	],
	[
	"TA2732",
	"c1([OH1])aac([OH1])aa1"
	],
	[
	"TA2736",
	"c([OH1])c[NX3]([#1,#6])[#1,#6]"
	],
	[
	"TA2737",
	"c([OH1])[aR1]c[NX3]([#1,#6])[#1,#6]"
	],
	[
	"TA2738",
	"c1([OH1])aac([NX3]([#1,#6])[#1,#6])aa1"
	],
	[
	"TA273",
	"[$([CX4!H0]([Cl,Br])[CX3](=[OX1])[$([CH3]),$([CH2][CH3]),$([CH2][CH2][CH3]),$([CH]([CH3])[CH3]),$([CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH3]),$([CH2][CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH2][CH3]),$([CH2][CH]([CH3])[CH2][CH3]),$([CH2][CH2][CH]([CH3])[CH3]),$([CH]([CH2][CH3])[CH2][CH3]),$([CH]([CH3])[CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH2][CH3]),$([CH2][CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH2]),$([CX4]1[CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4][CX4]1),$([CH2]c1ccccc1),c]),$([CX4!H0]([Cl,Br])[CX3](=[OX1])[OX2][$([CH3]),$([CH2][CH3]),$([CH2][CH2][CH3]),$([CH]([CH3])[CH3]),$([CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH3]),$([CH2][CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH2][CH3]),$([CH2][CH]([CH3])[CH2][CH3]),$([CH2][CH2][CH]([CH3])[CH3]),$([CH]([CH2][CH3])[CH2][CH3]),$([CH]([CH3])[CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH2][CH3]),$([CH2][CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH2]),$([CX4]1[CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4][CX4]1),$([CH2]c1ccccc1),c]),$([CX4!H0]([Cl,Br])[CX3](=[OX1])[NX3]([#6])([#6])),$([CX4!H0]([Cl,Br])[CX3](=[OX1])[OX1-])]"
	],
	[
	"TA2746",
	"[$([H][CX3]([#1,#6])=[OX1]),$([#6&!$(C#N)][CX3](=[OX1])[#6&!$(C#N)])]"
	],
	[
	"TA275",
	"[$(n1c([F,Cl,$([CX2]#[NX1])])nccc1),$(n1cnccc1([F,Cl,$([CX2]#[NX1])])),$(n1cncnc1([F,Cl,$([CX2]#[NX1])]))]"
	],
	[
	"TA277",
	"[$(c1([OH])c([OH])c([#1,#6,OH,$([OX2][$([CH3]),$([CH2][CH3]),$([CH2][CH2][CH3]),$([CH]([CH3])[CH3]),$([CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH3]),$([CH2][CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH2][CH3]),$([CH2][CH]([CH3])[CH2][CH3]),$([CH2][CH2][CH]([CH3])[CH3]),$([CH]([CH2][CH3])[CH2][CH3]),$([CH]([CH3])[CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH2][CH3]),$([CH2][CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH2]),$([CX4]1[CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4][CX4]1),$([CH2]c1ccccc1)]);!$([CX2]#[NX1])])c([#1])c([#1,#6,OH,$([OX2][$([CH3]),$([CH2][CH3]),$([CH2][CH2][CH3]),$([CH]([CH3])[CH3]),$([CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH3]),$([CH2][CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH2][CH3]),$([CH2][CH]([CH3])[CH2][CH3]),$([CH2][CH2][CH]([CH3])[CH3]),$([CH]([CH2][CH3])[CH2][CH3]),$([CH]([CH3])[CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH2][CH3]),$([CH2][CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH2]),$([CX4]1[CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4][CX4]1),$([CH2]c1ccccc1)]);!$([CX2]#[NX1])])c1([#1,#6,OH,$([OX2][$([CH3]),$([CH2][CH3]),$([CH2][CH2][CH3]),$([CH]([CH3])[CH3]),$([CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH3]),$([CH2][CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH2][CH3]),$([CH2][CH]([CH3])[CH2][CH3]),$([CH2][CH2][CH]([CH3])[CH3]),$([CH]([CH2][CH3])[CH2][CH3]),$([CH]([CH3])[CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH2][CH3]),$([CH2][CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH2]),$([CX4]1[CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4][CX4]1),$([CH2]c1ccccc1)]);!$([CX2]#[NX1])])),$([$(c1([OH1])c([#1])c([OH1])c([#1,#6,OH,$([OX2][$([CH3]),$([CH2][CH3]),$([CH2][CH2][CH3]),$([CH]([CH3])[CH3]),$([CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH3]),$([CH2][CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH2][CH3]),$([CH2][CH]([CH3])[CH2][CH3]),$([CH2][CH2][CH]([CH3])[CH3]),$([CH]([CH2][CH3])[CH2][CH3]),$([CH]([CH3])[CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH2][CH3]),$([CH2][CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH2]),$([CX4]1[CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4][CX4]1),$([CH2]c1ccccc1)]);!$([CX2]#[NX1])])c([#1,#6,OH,$([OX2][$([CH3]),$([CH2][CH3]),$([CH2][CH2][CH3]),$([CH]([CH3])[CH3]),$([CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH3]),$([CH2][CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH2][CH3]),$([CH2][CH]([CH3])[CH2][CH3]),$([CH2][CH2][CH]([CH3])[CH3]),$([CH]([CH2][CH3])[CH2][CH3]),$([CH]([CH3])[CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH2][CH3]),$([CH2][CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH2]),$([CX4]1[CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4][CX4]1),$([CH2]c1ccccc1)]);!$([CX2]#[NX1])])c1([#1,#6,OH,$([OX2][$([CH3]),$([CH2][CH3]),$([CH2][CH2][CH3]),$([CH]([CH3])[CH3]),$([CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH3]),$([CH2][CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH2][CH3]),$([CH2][CH]([CH3])[CH2][CH3]),$([CH2][CH2][CH]([CH3])[CH3]),$([CH]([CH2][CH3])[CH2][CH3]),$([CH]([CH3])[CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH2][CH3]),$([CH2][CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH2]),$([CX4]1[CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4][CX4]1),$([CH2]c1ccccc1)]);!$([CX2]#[NX1])])),$(c1([OH1])c([#1,#6,OH,$([OX2][$([CH3]),$([CH2][CH3]),$([CH2][CH2][CH3]),$([CH]([CH3])[CH3]),$([CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH3]),$([CH2][CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH2][CH3]),$([CH2][CH]([CH3])[CH2][CH3]),$([CH2][CH2][CH]([CH3])[CH3]),$([CH]([CH2][CH3])[CH2][CH3]),$([CH]([CH3])[CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH2][CH3]),$([CH2][CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH2]),$([CX4]1[CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4][CX4]1),$([CH2]c1ccccc1)]);!$([CX2]#[NX1])])c([OH1])c([#1])c([#1,#6,OH,$([OX2][$([CH3]),$([CH2][CH3]),$([CH2][CH2][CH3]),$([CH]([CH3])[CH3]),$([CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH3]),$([CH2][CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH2][CH3]),$([CH2][CH]([CH3])[CH2][CH3]),$([CH2][CH2][CH]([CH3])[CH3]),$([CH]([CH2][CH3])[CH2][CH3]),$([CH]([CH3])[CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH2][CH3]),$([CH2][CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH2]),$([CX4]1[CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4]1),$([CX4]1[CX4][CX4][CX4][CX4][CX4]1),$([CH2]c1ccccc1)]);!$([CX2]#[NX1])])c1([#1,#6,OH,$([OX2][$([CH3]),$([CH2][CH3]),$([CH2][CH2][CH3]),$([CH]([CH3])[CH3]),$([CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH3]),$([CH2][CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][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	],
	[
	"TA2788",
	"[#6][OX2H]"
	],
	[
	"TA2789",
	"[CX3H1](=O)[#6]"
	],
	[
	"TA278",
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	],
	[
	"TA2791",
	"[!$(C=O);$([C&!a])][OX2&H0][!$(C=O);$([C&!a])]"
	],
	[
	"TA2794",
	"[$([NX3,NX4+][CX4H]([*])[CX3](=[OX1])[O,N]),$([$([$([NX3H2,NX4H3+]),$([NX3H](C)(C))][CX4H2][CX3](=[OX1])[OX2H,OX1-,N])])]"
	],
	[
	"TA2795",
	"[$([a][F,Cl,I])]"
	],
	[
	"TA2796",
	"[$([a]N(~O)~O),$([a]N([#1])[*]),$([a]N([#1])[!#1])]"
	],
	[
	"TA2797",
	"[$([#16X4](=[OX1])(=[OX1])([a])[OX2H,OX1H0-]),$([#16X4+2]([OX1-])([OX1-])([a])[OX2H,OX1H0-])]"
	],
	[
	"TA2798",
	"[$([!R&N]=[!R&N])]"
	],
	[
	"TA2799",
	"[N]#[C]~[AR0]~[AR0]~[AR0]~[AR0]~[AR0]~[AR0]~[AR0]~[AR0]"
	],
	[
	"TA2800",
	"[$(C1OC1)]"
	],
	[
	"TA2801",
	"[#6][CX3](=O)[$([OX2H0]([#6])[#6])]"
	],
	[
	"TA2803",
	"[$([C;!R]([C])([C])[C])] AND [#6][F,Cl,Br,I]"
	],
	[
	"TA2804",
	"[C][C](=O)[C]"
	],
	[
	"TA2805",
	"[$([a&R]([OX2H])[a&R]([OX2H])),$([a&R]([OX2H])a[a&R]([OX2H])),$([a&R]([OX2H])aa[a&R]([OX2H]))]"
	],
	[
	"TA2806",
	"[C]#[N]"
	],
	[
	"TA2807",
	"[$(NN=O)]"
	],
	[
	"TA2808",
	"NOT [$([C][C;!R]([C])[C])] AND NOT [R] AND [#6][F,Cl,Br,I]"
	],
	[
	"TA2809",
	"[$(P(=[OX1])([OX2][#6])([$([OX2H]),$([OX1-]),$([OX2][#6])])[$([OX2H]),$([OX1-]),$([OX2][#6]),$([OX2]P)]),$([P+]([OX1-])([OX2][#6])([$([OX2H]),$([OX1-]),$([OX2][#6])])[$([OX2H]),$([OX1-]),$([OX2][#6]),$([OX2]P)])]"
	],
	[
	"TA280",
	"[$([Cl,Br,I][CH2][CX3]=[CX3]),$([Cl,Br,I][CH2][CX2]#[CX2]),$([Cl,Br,I][CH2][a]),$([Cl,Br,I][CH2][CX3](=[OX1])[#6]),$([Cl,Br,I][CH2][CX3](=[OX1])[OX2]),$([Cl,Br,I][CH2][CX3](=[OX1])[NX3]),$([Cl,Br,I][CH2][CH2][NX3]),$([Cl,Br,I][CH2][CH2][OX2])]"
	],
	[
	"TA2810",
	"[$(n1ccccc1)]"
	],
	[
	"TA2812",
	"[$([C]([CH3])([CH3])([CH3])([*]))]"
	],
	[
	"TA2813",
	"[!R&NX3&H0]"
	],
	[
	"TA2814",
	"[$(n1nnccc1),$(n1ncncc1),$(n1cncnc1)]"
	],
	[
	"TA2815",
	"[$([*]C(F)(F)F)]"
	],
	[
	"TA283",
	"[CX4]1([CX4])[OX2][CX4]1([CX4])"
	],
	[
	"TA2847",
	"[$(c1[nv3X2][c,n][c,n,s][c,n]1),$(c2[nv3X2][c,n][c,n][c,n][c,n]2)]-[$(c1[nv3X2][c,n][c,n,s][c,n]1),$(c2[nv3X2][c,n][c,n][c,n][c,n]2)]"
	],
	[
	"TA284",
	"[$([F,Cl,Br,I]c1c([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])])cc([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])])cc1),$([F,Cl,Br,I]c1c([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-]),$([CX2]#[NX1]),$(C(F)(F)F),$([Sv6X4](=[OX1])(=[OX1])[CH3])])cncc1),$([F,Cl,Br,I]c1ncc([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-]),$([CX2]#[NX1]),$(C(F)(F)F),$([Sv6X4](=[OX1])(=[OX1])[CH3])])cc1),$([F,Cl,Br,I]c1ncccc1([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-]),$([CX2]#[NX1]),$(C(F)(F)F),$([Sv6X4](=[OX1])(=[OX1])[CH3])])),$([F,Cl,Br,I]c1ncncc1),$([F,Cl,Br,I]c1ncncn1)]"
	],
	[
	"TA2859",
	"c1ccc[nv3X2]c1[#6](~[#7])~[#7]"
	],
	[
	"TA2861",
	"[$([cr5][n,s;r5][n,o;r5]),$([cr5]([nr5])[s,o,n;r5])][Nv3X3H1!R][CX3!R](=[OX1])[$([cr5][nv3X2r5]),$(c1ncccc1),$(c1c([OX2][CH3])cccc1)]"
	],
	[
	"TA2864",
	"[H,C][OX2]c1c([CX4][NX3])ccc2cccnc21"
	],
	[
	"TA288",
	"[$([NX3][CX4][NX3]),$([CX3](=[OX1])[NX3][CH2][OH1]),$([CX4]([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])])([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-]),F,Cl,Br,I,$([CX2]#[NX1]),$([CX4]([F,Cl])([F,Cl])[F,Cl]),$([CX3](=[OX1])[#1,F,Cl,Br,I])])[CH2][OH1])]"
	],
	[
	"TA289",
	"[CX3](=[SX1])[SX2]"
	],
	[
	"TA2906",
	"c1cccc2c1ccc([OH])n2"
	],
	[
	"TA2908",
	"c1ccc([OH])c2c1cccn2"
	],
	[
	"TA290",
	"[$([#1,#6;!$(C=C);!$(C#C)][CX3]([H])(=[OX1])),$([CX4;H1]([OX2])[OX2])]"
	],
	[
	"TA2918",
	"[OH]c1nc([OH])cc([CX4])n1"
	],
	[
	"TA291",
	"[$([#6X3]1=,:[#6X3]-,:[#6X3](=[OX1])[#6X3]=,:[#6X3]-,:[#6X3]1(=[OX1])),$([#6X3]1(=[OX1])-,:[#6X3](=[OX1])-,:[#6X3]=,:[#6X3]-,:[#6X3]=,:[#6X3]1)]"
	],
	[
	"TA2920",
	"[NH2]c1ncnc2c1nc[nX3]2"
	],
	[
	"TA292",
	"[CX3]=[CX3][CX3](=[OX1])[$([OX2]([CX3]=[OX1])[!#1]),$([#1][CX3]=[OX1]),$([NX3H2]([CX3]=[OX1])),$([NX3]([CX3]=[OX1])),$([CX4][CX3]=[OX1])]"
	],
	[
	"TA2934",
	"[OH]c1ccccc1[CX3](=[OX1])[OH]"
	],
	[
	"TA2939",
	"[nX3]1cccc1C(=[OX1])[OH]"
	],
	[
	"TA293",
	"[OH1]c1ccc([OH1])cc1"
	],
	[
	"TA2947",
	"c1ccc(c(c1)[OH])[OH]"
	],
	[
	"TA2948",
	"c1ccc(c(c1)[OH,SH])[OX2][CX4]"
	],
	[
	"TA294",
	"[OH1]c1c([OH1])cccc1"
	],
	[
	"TA2957",
	"[CX4]c1ccc(cc1)[Sv6X4](=[OX1])(=[OX1])[NX3H2]"
	],
	[
	"TA2958",
	"C[CX3](=[OX1])[CX4!H0]([H,CX4,Cl])[CX3](=[OX1])C"
	],
	[
	"TA2959",
	"C[CX3](=[OX1])[CX4][CX3](=[OX1])C"
	],
	[
	"TA295",
	"[OH1]c1cc([OH1])ccc1"
	],
	[
	"TA2968",
	"[+].[-]"
	],
	[
	"TA2969",
	"[Cl,Br,I,F].[*]"
	],
	[
	"TA296",
	"[OH1]c1ccc([OX2][CX4])cc1"
	],
	[
	"TA2975",
	"[].[]"
	],
	[
	"TA2976",
	"[][].[][]"
	],
	[
	"TA297",
	"[OH1]c1cc([OX2][CX4])ccc1"
	],
	[
	"TA298",
	"[OH1]c1c([OX2][CX4])cccc1"
	],
	[
	"TA299",
	"[CX3](=[OX1])[CX4]([#1,CX4])([#1,CX4])[CX3](=[OX1])"
	],
	[
	"TA300",
	"[#16X2H1]"
	],
	[
	"TA3016",
	"[N;!R][C;!R](=O)[!#7] OR [N;!R][C;!R](=O)[N;!R]"
	],
	[
	"TA301",
	"[#16X2][#16X2]"
	],
	[
	"TA3020",
	"[$([Sv6X4;!$([Sv6X4][OH]);!$([Sv6X4][SH]);!$([Sv6X4][O-]);!$([Sv6X4][S-])](=[OX1])(=[OX1])[$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2][CH0](C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2][CH2]c1ccccc1)]),$([Pv5X4;!$([Pv5X4][OH]);!$([Pv5X4][SH]);!$([Pv5X4][O-]);!$([Pv5X4][S-])](=[OX1])([$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2][CH0](C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2][CH2]c1ccccc1)])[$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2][CH0](C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2][CH2]c1ccccc1)])]"
	],
	[
	"TA3022",
	"[CX3]([CX4,#1])([F,Cl,Br,I])=[CX3]([CX4,#1])[!F!Cl!Br!I]"
	],
	[
	"TA3025",
	"[CX4]1[OX2,NX3][CX4]1"
	],
	[
	"TA3026",
	"[CX4;!H0][Br,Cl,I]"
	],
	[
	"TA3028",
	"[CX3](=[OX1])[CX3H1]=[CX3]"
	],
	[
	"TA3029",
	"[CX3]([H])(=[OX1])[#1,#6&!$([CX3]=[CX3])]"
	],
	[
	"TA302",
	"[$(c1([OH1])c([OH1])cccc1),$(c1([OH1])cc([OH1])ccc1),$(c1([OH1])ccc([OH1])cc1),$(c1([OH1])c([OH1])c([OH1])ccc1),$(c1([OH1])c([OH1])cc([OH1])cc1),$(c1([OH1])cc([OH1])cc([OH1])c1),$(c1([OH1])c([OH1])c([OH1])c([OH1])cc1),$(c1([OH1])c([OH1])c([OH1])cc([OH1])c1),$(c1([OH1])c([OH1])cc([OH1])c([OH1])c1),$(c1([OH1])c([OH1])c([OH1])c([OH1])c([OH1])c1),$(c1([OH1])c([OH1])c([OH1])c([OH1])c([OH1])c1([OH1]))]"
	],
	[
	"TA3030",
	"[$([#6X3]1=,:[#6X3]-,:[#6X3](=[OX1])-,:[#6X3]=,:[#6X3]-,:[#6X3]1(=[OX1])),$([#6X3]1(=[OX1])-,:[#6X3](=[OX1])-,:[#6X3]=,:[#6X3]-,:[#6X3]=,:[#6X3]1)]"
	],
	[
	"TA3031",
	"[NX3;!$([NX3](=[OX1])=[OX1]);!$([NX3+](=[OX1])[O-])][NX3;!$([NX3](=[OX1])=[OX1]);!$([NX3+](=[OX1])[O-])]"
	],
	[
	"TA3034",
	"[NX3]([C,#1])([C,#1])[CX3](=[OX1,Sv2X1])[OX2,Sv2X2]C"
	],
	[
	"TA3035",
	"[$([cX3R3]),$([cX3;R1,R2,R3]1[cX3;R1,R2,R3][cX3;R1,R2,R3][cX3;R1,R2,R3][cX3;R2,R3]2[cX3;R2,R3]1[cX3;R1,R2,R3][cX3;R2,R3]3[cX3;R2,R3]([cX3;R1,R2,R3]2)[cX3;R1,R2,R3][cX3;R1,R2,R3][cX3;R1,R2,R3][cX3;R1,R2,R3]3)].[!$([n,o,s])]"
	],
	[
	"TA3036",
	"[$([aR3].[n,o,s]),$([$([aR2]([aR])([aR])([aR]))].[$([aR2]([aR])([aR])([aR]))].[$([aR2]([aR])([aR])([aR]))].[$([aR2]([aR])([aR])([aR]))].[n,o,s])]"
	],
	[
	"TA308",
	"[OH1]aa[OH1]"
	],
	[
	"TA309",
	"[OH1]aaaa[OH1]"
	],
	[
	"TA310",
	"[$(c1c([OX2][CX4])c([OH1])ccc1),$(c1c([OX2][CX4])ccc([OH1])c1)]"
	],
	[
	"TA311",
	"[a][$([NX3H2]),$([NX3H1][#6])]"
	],
	[
	"TA312",
	"[$([a][NH1][CX3](=[OX1])),$(c1c([NX2]=[NX2][a])ccc([$([NX3]([CX4])([CX4])),$([NX3H1][CX4]),$([NH2]),$([OH1])])c1)]"
	],
	[
	"TA317",
	"[SX2][CX3](=[SX1])[NX3]"
	],
	[
	"TA318",
	"[#6&!$([CX3]=[OX1,SX1,NX2])][NX3H1][NX3H2,$([NX3H1][#6&!$([CX3]=[OX1,SX1,NX2])])]"
	],
	[
	"TA321",
	"[a][$([NX3+](=[OX1])([O-])),$([NX3](=O)=O)]"
	],
	[
	"TA322",
	"[a][NX3H2]"
	],
	[
	"TA323",
	"[NX3H1,SX2,OX2]1[CX4][CX4]1"
	],
	[
	"TA324",
	"[NX2]=[OX1]"
	],
	[
	"TA325",
	"[$([NX3H2]-[#7]),$([NX3H2]-[#8]),$([OX2H1]-[#7]),$([OX2H1]-[#8])]"
	],
	[
	"TA326",
	"[NX2]=[NX2]"
	],
	[
	"TA327",
	"[CX4][Cl,Br,I]"
	],
	[
	"TA328",
	"[$([aR3]),$([$([aR2]([aR])([aR])([aR]))].[$([aR2]([aR])([aR])([aR]))].[$([aR2]([aR])([aR])([aR]))].[$([aR2]([aR])([aR])([aR]))])]"
	],
	[
	"TA329",
	"[a][$([NX3+](=[OX1])[O-]),$([NX3](=[OX1])=[OX1]);!$([NX3]aa-[$(C(F)(F)F),$(S(=O)(=O)[OH]),$(S(=O)(=O)[NX3]([#1,#6])[#1,#6]),$(S(=O)(=O)[a]),$([CX4]([CH3])([CH3])[CH3])]);!$([NX3]aaa-[$(C(F)(F)F),$(S(=O)(=O)[OH]),$(S(=O)(=O)[NX3]([#1,#6])[#1,#6]),$(S(=O)(=O)[a])]);!$([NX3]aaaa-[$(C(F)(F)F),$(S(=O)(=O)[OH]),$(S(=O)(=O)[NX3]([#1,#6])[#1,#6]),$(S(=O)(=O)[a])])]"
	],
	[
	"TA330",
	"[a][$([NH2]);!$([NH2]aa[$(C(F)(F)F),$(S(=O)(=O)[NX3]([#6,#1])[#6,#1]),$(S(=O)(=O)[OH]),$(S(=O)(=O)[a]),$(C(=[OX1])[OH1]),$(C(=[OX1])[OX2][#6])]);!$([NH2]aaa[$(C(F)(F)F),$(S(=O)(=O)[NX3]([#6,#1])[#6,#1]),$(S(=O)(=O)[OH]),$(S(=O)(=O)[a]),$(C(=[OX1])[OH]),$(C(=[OX1])[OX2][#6])]);!$([NH2]aaaa[$(C(F)(F)F),$(S(=O)(=O)[NX3]([#6,#1])[#6,#1]),$(S(=O)(=O)[OH]),$(S(=O)(=O)[a]),$(C(=[OX1])[OH]),$(C(=[OX1])[OX2][#6])])]"
	],
	[
	"TA334",
	"[CX4]1[OX2][CX4]1"
	],
	[
	"TA336",
	"[$([NX2]=[NX2+]=[NX1-]),$(N=[NX2+]=N),$([NX2-]-[NX2+]#[NX1])]"
	],
	[
	"TA339",
	"[$([NX2]([a])=[NX2][a]);!$([NX2](aaS(=O)(=O)[OH])=[NX2]aaS(=O)(=O)[OH]);!$([NX2](aaS(=O)(=O)[OH])=[NX2]aaaS(=O)(=O)[OH]);!$([NX2](aaaS(=O)(=O)[OH])=[NX2]aaS(=O)(=O)[OH]);!$([NX2](aaS(=O)(=O)[OH])=[NX2]aaaaS(=O)(=O)[OH])!$([NX2](aaaaS(=O)(=O)[OH])=[NX2]aaS(=O)(=O)[OH]);!$([NX2](aaaS(=O)(=O)[OH])=[NX2]aaaS(=O)(=O)[OH]);!$([NX2](aaaS(=O)(=O)[OH])=[NX2]aaaaS(=O)(=O)[OH]);!$([NX2](aaaaS(=O)(=O)[OH])=[NX2]aaaS(=O)(=O)[OH]);!$([NX2](aaaaS(=O)(=O)[OH])=[NX2]aaaaS(=O)(=O)[OH])]"
	],
	[
	"TA340",
	"[$([NX3H2][#7]),$([NX3H2][#8]),$([OX2H1][#7]),$([OX2H1][#8]);!$([NH2][#7][$([OX2]-[OX2][#6]),$([NX3]([!#1])[NX3]([!#1]))]);!$([NH2][#8][$([OX2]-[OX2][#6]),$([NX3]([!#1])[NX3]([!#1]))]);!$([OH1][#7][$([OX2]-[OX2][#6]),$([NX3]([!#1])[NX3]([!#1]))]);!$([OH1][#8][$([OX2]-[OX2][#6]),$([NX3]([!#1])[NX3]([!#1]))]);!$([OH1][NX3H1][a])]"
	],
	[
	"TA342",
	"[Cl,Br,I][$([CX4]);!$([CX3](=[OX1,SX1,NX2]));!$([CH2][CH2][SX2,NX3])]"
	],
	[
	"TA344",
	"[Cl,Br,I][CH2][CH2][SX2,NX3]"
	],
	[
	"TA345",
	"[$([$([aR3]),$([$([aR2]([aR])([aR])([aR]))].[$([aR2]([aR])([aR])([aR]))].[$([aR2]([aR])([aR])([aR]))].[$([aR2]([aR])([aR])([aR]))])]);!$([cR1H1]1[cR1H1][cR1][cR1][cR2]2[cR2]1[cR2]3[cR2]([cR1][cR1]2)[cR1][cR1][cR1H1][cR1H1]3);!$([cR1]1[cR1][cR1][cR1H1][cR2]2[cR2]1[cR2]3c([cR1H1][cR1H1]2)[cR1H1][cR1][cR1][cR1]3)]"
	],
	[
	"TA348",
	"[CX4][Sv6X4](=[OX1])(=[OX1])[OX2]"
	],
	[
	"TA355",
	"[a][NX3;H1][CH3]"
	],
	[
	"TA357",
	"[R1]1[R2]2=[R1][R1]=[R1][R1]=[R2]2[R1][R2]3=[R1][R1]=[R1][R1]=[R2]13"
	],
	[
	"TA359",
	"[$([Sv6X4;!$([Sv6X4][OH]);!$([Sv6X4][SH]);!$([Sv6X4][O-]);!$([Sv6X4][S-])](=[OX1])(=[OX1])[$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2][CH0](C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2][CH2]c1ccccc1)]),$([Pv5X4;!$([Pv5X4][OH]);!$([Pv5X4][SH]);!$([Pv5X4][O-]);!$([Pv5X4][S-])](=[OX1])([$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2][CH0](C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2][CH2]c1ccccc1)])[$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2][CH0](C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2]C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])(C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I])C([#1,F,Cl,Br,I])([#1,F,Cl,Br,I])[#1,F,Cl,Br,I]),$([OX2][CH2]c1ccccc1)])]"
	],
	[
	"TA361",
	"[CX3]([CX4,#1])([F,Cl,Br,I])=[CX3]([CX4,#1])[!F!Cl!Br!I]"
	],
	[
	"TA364",
	"[CX4]1[OX2,NX3][CX4]1"
	],
	[
	"TA365",
	"[CX4;!H0][Br,Cl,I]"
	],
	[
	"TA367",
	"[CX3]([!$([OH]);!$([O-])])(=[OX1])[CX3H1]=[CX3]([$([CH3]),$([CH2][CH3]),$([CH2][CH2][CH3]),$([CH]([CH3])[CH3]),$([CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH3]),$([CH2][CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH2][CH3]),$([CH2][CH]([CH3])[CH2][CH3]),$([CH2][CH2][CH]([CH3])[CH3]),$([CH]([CH2][CH3])[CH2][CH3]),$([CH]([CH3])[CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH2][CH3]),$([CH2][CH0]([CH3])([CH3])[CH3]),$([#1,#7,#8,F,Cl,Br,I,#15,#16,#5]),$([CH]=[CH][#6]);!$([a])])[$([CH3]),$([CH2][CH3]),$([CH2][CH2][CH3]),$([CH]([CH3])[CH3]),$([CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH3]),$([CH2][CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH3]),$([CH2][CH2][CH2][CH2][CH3]),$([CH]([CH3])[CH2][CH2][CH3]),$([CH2][CH]([CH3])[CH2][CH3]),$([CH2][CH2][CH]([CH3])[CH3]),$([CH]([CH2][CH3])[CH2][CH3]),$([CH]([CH3])[CH]([CH3])[CH3]),$([CH0]([CH3])([CH3])[CH2][CH3]),$([CH2][CH0]([CH3])([CH3])[CH3]),$([#1,#7,#8,F,Cl,Br,I,#15,#16,#5]),$([CH]=[CH][#6]);!$([a])]"
	],
	[
	"TA368",
	"[CX3]([H])(=[OX1])[#1,#6&!$([CX3]=[CX3])]"
	],
	[
	"TA369",
	"[$([#6X3]1=,:[#6X3]-,:[#6X3](=[OX1])-,:[#6X3]=,:[#6X3]-,:[#6X3]1(=[OX1])),$([#6X3]1(=[OX1])-,:[#6X3](=[OX1])-,:[#6X3]=,:[#6X3]-,:[#6X3]=,:[#6X3]1)]"
	],
	[
	"TA370",
	"[NX3;!$([NX3](=[OX1])=[OX1]);!$([NX3+](=[OX1])[O-])][NX3;!$([NX3](=[OX1])=[OX1]);!$([NX3+](=[OX1])[O-])]"
	],
	[
	"TA373",
	"[NX3]([C,#1])([C,#1])[CX3](=[OX1,Sv2X1])[OX2,Sv2X2]C"
	],
	[
	"TA374",
	"[$([NX3][CX3](=[Sv2X1])[NX3]),$([CX3;!$(C[OH]);!$(C[SH]);!$(C[O-]);!$(C[S-]);!$(CO[#6])](=[Sv2X1])[NX3])]"
	],
	[
	"TA375",
	"[$([cX3R3]),$([cX3;R1,R2,R3]1[cX3;R1,R2,R3][cX3;R1,R2,R3][cX3;R1,R2,R3][cX3;R2,R3]2[cX3;R2,R3]1[cX3;R1,R2,R3][cX3;R2,R3]3[cX3;R2,R3]([cX3;R1,R2,R3]2)[cX3;R1,R2,R3][cX3;R1,R2,R3][cX3;R1,R2,R3][cX3;R1,R2,R3]3)].[!$([n,o,s])]"
	],
	[
	"TA376",
	"[$([aR3].[n,o,s]),$([$([aR2]([aR])([aR])([aR]))].[$([aR2]([aR])([aR])([aR]))].[$([aR2]([aR])([aR])([aR]))].[$([aR2]([aR])([aR])([aR]))].[n,o,s])]"
	],
	[
	"TA377",
	"NOT [!CX4!#1!F!Cl!Br!I] AND [CX4!R0][F,Cl,Br,I]"
	],
	[
	"TA379",
	"[$([NX2!R]=[NX2!R][NX3!R]),$([NX2]=[NX2+]=[NX1-]),$([NX2]=[NX2+]=N)]"
	],
	[
	"TA383",
	"[O-][N+]1=CC=CC=C1"
	],
	[
	"TA384",
	"[a][$([NX3+](=[OX1])[O-]),$([NX3](=[OX1])=[OX1]);!$([NX3]a(a-[!#1])a-[!#1]);!$([NX3]aa-C(=[OX1])[OH]);!$([NX3]aa-[Sv6X4](=[OX1])(=[OX1])[OH]);!$([NX3]aaa-[Sv6X4](=[OX1])(=[OX1])[OH]);!$([NX3]aaaa-[Sv6X4](=[OX1])(=[OX1])[OH])]"
	],
	[
	"TA385",
	"[a][$([NH2]),$([NX3][OX2H1]),$([NX3][OX2][CX3H1](=[OX1])),$([NX2]=[CH2]),$([NX2]=C=[OX1]);!$([NX3,NX2]a(a-[!#1])a-[!#1]);!$([NX3,NX2]aa-C(=[OX1])[OH]);!$([NX3,NX2]aa-[Sv6X4](=[OX1])(=[OX1])[OH]);!$([NX3,NX2]aaa-[Sv6X4](=[OX1])(=[OX1])[OH]);!$([NX3,NX2]aaaa-[Sv6X4](=[OX1])(=[OX1])[OH])]"
	],
	[
	"TA386",
	"[a][$([NX3;H1][CH3]),$([NX3;H1][CH2][CH3]),$([NX3]([CH3])[CH3]),$([NX3]([CH3])[CH2][CH3]),$([NX3]([CH2][CH3])[CH2][CH3]);!$([NX3]a(a-[!#1])a-[!#1]);!$([NX3]aa-C(=[OX1])[OH]);!$([NX3]aa-[Sv6X4](=[OX1])(=[OX1])[OH]);!$([NX3]aaa-[Sv6X4](=[OX1])(=[OX1])[OH]);!$([NX3]aaaa-[Sv6X4](=[OX1])(=[OX1])[OH])]"
	],
	[
	"TA387",
	"[a][$([NX3;H1]),$([NX3][CH3]);!$([NX3]a(a-[!#1])a-[!#1]);!$([NX3]aa-C(=[OX1])[OH]);!$([NX3]aa-[Sv6X4](=[OX1])(=[OX1])[OH]);!$([NX3]aaa-[Sv6X4](=[OX1])(=[OX1])[OH]);!$([NX3]aaaa-[Sv6X4](=[OX1])(=[OX1])[OH])][CX3](=[OX1])([$([#1]),$([CH3])])"
	],
	[
	"TA388",
	"[$([NX2]([a])=[NX2][a]);!$([NX2](aaS(=O)(=O)[OH])=[NX2]aaS(=O)(=O)[OH]);!$([NX2](aaS(=O)(=O)[OH])=[NX2]aaaS(=O)(=O)[OH]);!$([NX2](aaaS(=O)(=O)[OH])=[NX2]aaS(=O)(=O)[OH]);!$([NX2](aaS(=O)(=O)[OH])=[NX2]aaaaS(=O)(=O)[OH])!$([NX2](aaaaS(=O)(=O)[OH])=[NX2]aaS(=O)(=O)[OH]);!$([NX2](aaaS(=O)(=O)[OH])=[NX2]aaaS(=O)(=O)[OH]);!$([NX2](aaaS(=O)(=O)[OH])=[NX2]aaaaS(=O)(=O)[OH]);!$([NX2](aaaaS(=O)(=O)[OH])=[NX2]aaaS(=O)(=O)[OH]);!$([NX2](aaaaS(=O)(=O)[OH])=[NX2]aaaaS(=O)(=O)[OH])]"
	],
	[
	"TA389",
	"[$(c1cccc2c1oc(=O)cc2),$(C1=CC(=O)OC2=CC=CC=C12),$(C1=CC(=O)Oc2ccccc12)]"
	],
	[
	"TA390",
	"c1ccccc1[$([Br,Cl,F,I]);!$([Br,Cl,F,I]aa[Br,Cl,F,I]);!$([Br,Cl,F,I]aaa[Br,Cl,F,I]);!$([Br,Cl,F,I]aa([OH])a([OH])a[OH]);!$([Br,Cl,F,I]aaa([OH])a([OH])a[OH]);!$([Br,Cl,F,I]aa([OH])a([OH])aa[OH])]"
	],
	[
	"TA391",
	"[Br,Cl,F,I][$([cR1]1[cR1][cR1][cR1][cR1][cR1]1-[cR1]2[cR1][cR1][cR1][cR1][cR1]2),$([cR1]1[cR1][cR1][cR1][cR2]2[cR2]1[cR1][cR1][cR1][cR1]2)]"
	],
	[
	"TA393",
	"[$([a][NX3;H2]),$([a][NX3;H1][CH3]),$([a][NX3;H1][CH2][CH3])]"
	],
	[
	"TA394",
	"a[NX3]([$([CH3]),$([CH2][CH3])])[$([CH3]),$([CH2][CH3])]"
	],
	[
	"TA395",
	"[$([a][NX3;H1][CX3;H1](=[OX1])),$([a][NX3;H1][CX3](=[OX1])[CH3])]"
	],
	[
	"TA396",
	"[a][$([NX3+](=[OX1])[O-]),$([NX3](=O)(=O))]"
	],
	[
	"TA405",
	"[NX3]([$([#1]),$([CX4]),$([a])])([$([CX4!H0]),$([CX4][OH]),$([CX3]=[OX1])])[NX3]([$([#1]),$([CX4]),$([a])])[$([#1]),$([CX4]),$([a])]"
	],
	[
	"TA409",
	"[CX4]1[OX2,NX3][CX4]1"
	],
	[
	"TA412",
	"[$([CX4,a][Pv5X4](=[OX1])([OX2][$([CH3]),$([CH2][CH3])])[OX2][$([CH3]),$([CH2][CH3])]),$([CX4,#1][OX2][Pv5X4](=[OX1])([OX2][CX4,#1])[OX2][$([CH3]),$([CH2][CH3])])]"
	],
	[
	"TA414",
	"[NX3]([#1,#6])([#1,#6])[CH2][CH2][Cl,Br,I,F]"
	],
	[
	"TA416",
	"[$([CX3](=[OX1])[CH2][Cl,Br,I]),$([CX4!H0]([OH1])[CH2][Cl,Br,I])]"
	],
	[
	"TA418",
	"[CX3]=[CX3][CX3](=[OX1])[$([#1][CX3]=[OX1]),$([#6]([CX3]=[OX1])),$([OX2]([CX3]=[OX1])[#6]),$([NX3]([CX3]=[OX1])([#1,#6])[#1,#6])]"
	],
	[
	"TA419",
	"[CX3]=[CX3][CH2][$([Cl,Br,I]),$([OX2])]"
	],
	[
	"TA422",
	"[c;R1,R2,R3]1[c;R1,R2,R3][c;R1,R2,R3][c;R2,R3]2[c;R2,R3]([c;R1,R2,R3]1)[c;R1,R2,R3][c;R1,R2,R3][c;R1,R2,R3][c;R1,R2,R3]2"
	],
	[
	"TA425",
	"[$([NX2]([a])=[NX2][a]);!$([NX2](aaS(=O)(=O)[OH])=[NX2]aaS(=O)(=O)[OH]);!$([NX2](aaS(=O)(=O)[OH])=[NX2]aaaS(=O)(=O)[OH]);!$([NX2](aaaS(=O)(=O)[OH])=[NX2]aaS(=O)(=O)[OH]);!$([NX2](aaS(=O)(=O)[OH])=[NX2]aaaaS(=O)(=O)[OH])!$([NX2](aaaaS(=O)(=O)[OH])=[NX2]aaS(=O)(=O)[OH]);!$([NX2](aaaS(=O)(=O)[OH])=[NX2]aaaS(=O)(=O)[OH]);!$([NX2](aaaS(=O)(=O)[OH])=[NX2]aaaaS(=O)(=O)[OH]);!$([NX2](aaaaS(=O)(=O)[OH])=[NX2]aaaS(=O)(=O)[OH]);!$([NX2](aaaaS(=O)(=O)[OH])=[NX2]aaaaS(=O)(=O)[OH])]"
	],
	[
	"TA426",
	"[$([CX4,a][Sv6X4](=[OX1])(=[OX1])[OX2][CX4]),$([CX4,a][Pv5X4](=[OX1])([OX2][#1,CX4])[OX2][CX4])]"
	],
	[
	"TA427",
	"[a][$([NX3+](=[OX1])[O-]),$([NX3](=[OX1])=[OX1]);!$([NX3]a(a-[!#1])a-[!#1]);!$([NX3]aa-C(=[OX1])[OH])]"
	],
	[
	"TA428",
	"[$([NX2]([a])=[NX2][a]);!$([NX2](aaS(=O)(=O)[OH])=[NX2]aaS(=O)(=O)[OH]);!$([NX2](aaS(=O)(=O)[OH])=[NX2]aaaS(=O)(=O)[OH]);!$([NX2](aaaS(=O)(=O)[OH])=[NX2]aaS(=O)(=O)[OH]);!$([NX2](aaS(=O)(=O)[OH])=[NX2]aaaaS(=O)(=O)[OH])!$([NX2](aaaaS(=O)(=O)[OH])=[NX2]aaS(=O)(=O)[OH]);!$([NX2](aaaS(=O)(=O)[OH])=[NX2]aaaS(=O)(=O)[OH]);!$([NX2](aaaS(=O)(=O)[OH])=[NX2]aaaaS(=O)(=O)[OH]);!$([NX2](aaaaS(=O)(=O)[OH])=[NX2]aaaS(=O)(=O)[OH]);!$([NX2](aaaaS(=O)(=O)[OH])=[NX2]aaaaS(=O)(=O)[OH])]"
	],
	[
	"TA429",
	"[O-][N+]1=CC=CC=C1"
	],
	[
	"TA430",
	"[a][$([NX3H1][CH3]),$([NX3H1][CH2][CH3]),$([NX3]([CH3])[CH3]),$([NX3]([CH3])[CH2][CH3]),$([NX3]([CH2][CH3])[CH2][CH3]);!$([NX3]a(a-[!#1])a-[!#1]);!$([NX3]aa-C(=[OX1])[OH])]"
	],
	[
	"TA439",
	"[F,Cl,Br,I][CH2][CX4,a]"
	],
	[
	"TA440",
	"[NX3][CX3](=[OX1])[OX2]"
	],
	[
	"TA441",
	"[a][$([NH2]),$([NX3H1][#6]),$([NX3]([#6])[#6]),$([NX3]([#6,#1])[OX2H1]),$([NX3]([#6,#1])[OX2][CX3]=[OX1]);!$([NX3]a(a-[!#1])a-[!#1]);!$([NX3]aa-C(=[OX1])[OH])]"
	],
	[
	"TA442",
	"[$([CX4]1[OX2][CX4]1),$([#6]1=[#6][#8]1)]"
	],
	[
	"TA444",
	"[$(c1([F,Cl,Br,I,$(N(=O)=O)])ncc([F,Cl,Br,I,$(N(=O)=O),$(C#N),$(C=O),$(C(F)(F)F),$(S=O)])cc1),$(c1([F,Cl,Br,I,$(N(=O)=O)])ncccc1([F,Cl,Br,I,$(N(=O)=O),$(C#N),$(C=O),$(C(F)(F)F),$(S=O)]))]"
	],
	[
	"TA446",
	"c1([F,Cl,Br,I,$(N(=O)=O)])ncncc1"
	],
	[
	"TA451",
	"[a][CX3H1]=[OX1]"
	],
	[
	"TA452",
	"C(C)(C)=CC=[OX1,SX1]"
	],
	[
	"TA453",
	"[C;!r5]([C;!r5])=[C;!r5][C;!r5](C)=[OX1,SX1;!r5]"
	],
	[
	"TA455",
	"[#6]C(=[OX1,SX1])[CX4]C(=[OX1,SX1])[#6]"
	],
	[
	"TA456",
	"[#6][$([NX2]=O),$(N=C=O),$(OC#N),$(SC#N),$(N=C=S)]"
	],
	[
	"TA457",
	"[CH2][NH2]"
	],
	[
	"TA458",
	"[CH2][NX3]([CH3])[CH3]"
	],
	[
	"TA462",
	"[$(C=C),$(C#C),a][CH2,CH][O,S][$([CH]=O),$([CH]=S),$(C(C)=O),$(C(C)=S)]"
	],
	[
	"TA463",
	"[$(C=C),$(C#C),a][CH2,CH][O,S][a]"
	],
	[
	"TA467",
	"[CH2,CH]=[CH][$(N(=[OX1])=[OX1]),$(C=O),$(C#N),$(S=O),$(C(=O)N),$(a)]"
	],
	[
	"TA468",
	"[CH2]=C[$(N(=[OX1])=[OX1]),$(C=O),$(C#N),$(S=O),$(C(=O)N),$(a)]"
	],
	[
	"TA469",
	"aC=C[$(N(=[OX1])=[OX1]),$(C=O),$(C#N),$(S=O),$(C(=O)N),$(a)]"
	],
	[
	"TA470",
	"C#C[$(N(=[OX1])=[OX1]),$(C=O),$(C#N),$(S=O),$(C(=O)N),$(a)]"
	],
	[
	"TA471",
	"[CH2,CH]=[CH]C=C[$(N(=[OX1])=[OX1]),$(C=O),$(C#N),$(S=O),$(C(=O)N),$(a)]"
	],
	[
	"TA472",
	"C=C([F,Cl,Br,I])[F,Cl,Br,I]"
	],
	[
	"TA473",
	"c1c([O,NH2,NH])c([O,NH2,NH])ccc1"
	],
	[
	"TA510",
	"[$([NX2]=[NX2+]=[NX1-]),$(N=[NX2+]=N),$([NX2-]-[NX2+]#[NX1])]"
	],
	[
	"TA512",
	"[#6,#1][CX3](=[OX1])[SX2][#6]"
	],
	[
	"TA514",
	"[#6][CX3](=[SX1])[#7]"
	],
	[
	"TA521",
	"[#6][NX2]=[NX2][#6]"
	],
	[
	"TA529",
	"[#6,#1][CX3]([H])=[OX1]"
	],
	[
	"TA530",
	"[#6][CX3]=[NX2][#6]"
	],
	[
	"TA531",
	"[#6][NX3;!$([NX3](=[OX1])=[OX1]);!$([NX3+](=[OX1])[O-])][NX3;!$([NX3](=[OX1])=[OX1]);!$([NX3+](=[OX1])[O-])]"
	],
	[
	"TA532",
	"[CX3]=[NX2][NX3][#6]"
	],
	[
	"TA533",
	"[OH1][NX3][#6]"
	],
	[
	"TA534",
	"[$([OX1-,OH1][#7X4+]([])([])([])),$([OX1]=[#7X4v5]([])([])([])),$([OX1]=[Nv5X3&!$([Nv5X3](=[OX1])=[OX1])](=[])([])),$([OX1-,OH1][#7X3+R](~[R])(~[R])),$([OX1]=[#7v5X3R](~[R])(~[R]))]"
	],
	[
	"TA535",
	"N[CX4]N"
	],
	[
	"TA536",
	"[NX4+]([#6])([#6])([#6])([#6])"
	],
	[
	"TA538",
	"[#6][CX3](=[OX1])[CX4][Cl,Br,I]"
	],
	[
	"TA539",
	"[NX3][CX4][CX4][Cl,Br,I]"
	],
	[
	"TA541",
	"[CX3](=[OX1])([#8])[CX3]=[CX3]"
	],
	[
	"TA542",
	"[CX3](=[OX1])([#7])[CX3]=[CX3]"
	],
	[
	"TA543",
	"[CX3](=[OX1])([#6])[CX3]=[CX3]"
	],
	[
	"TA544",
	"[Sv6X4](=[OX1])(=[OX1])[CX3]=[CX3]"
	],
	[
	"TA545",
	"[CX3]=[CX3][$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]"
	],
	[
	"TA546",
	"[NX1]#CC=C"
	],
	[
	"TA548",
	"[$(n1c([CX3]=[CX3])cccc1),$(n1cc([CX3]=[CX3])ccc1),$(n1ccc([CX3]=[CX3])cc1)]"
	],
	[
	"TA549",
	"C1(=[OX1])C=CC(=[OX1])[NX3]1"
	],
	[
	"TA552",
	"[CX4]1[OX2][CX4]1"
	],
	[
	"TA558",
	"[Si]([#8])([#6])([#6])([#6])"
	],
	[
	"TA560",
	"[$([F,Cl,Br,I]c1c([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])])cccc1),$([F,Cl,Br,I]c1cc([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])])ccc1),$([F,Cl,Br,I]c1ccc([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])])cc1)]"
	],
	[
	"TA561",
	"[$(c1([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])])c([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])])cccc1),$(c1([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])])cc([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])])ccc1),$(c1([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])])ccc([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])])cc1)]"
	],
	[
	"TA563",
	"[F,Cl,Br,I][CX4][#8]"
	],
	[
	"TA564",
	"[F,Cl,Br,I][CX4][#16]"
	],
	[
	"TA567",
	"N[CX3](=[SX1])N"
	],
	[
	"TA568",
	"N[CX3](=[SX1])S"
	],
	[
	"TA572",
	"[#7v4X3R]"
	],
	[
	"TA579",
	"[!$(C=C);!$(C#C)]C(=[O,SX1,N])[O,S,N][a]"
	],
	[
	"TA580",
	"[!$(C=C);!$(C#C)]C(=[O,SX1,N])[O,S,N]C(=[O,SX1,N])"
	],
	[
	"TA581",
	"[!$(C=C);!$(C#C)]C(=[O,S,N])[O,S][$(C=C),$(C=N),$(C#C),$(C#N)]"
	],
	[
	"TA582",
	"[#6]1C(=[O,S])[O,N,S][#6]1"
	],
	[
	"TA583",
	"[C,N,O,S,a]c1[n,o,s]c2ccccc2[n,o,s]1"
	],
	[
	"TA584",
	"[#6]1[#6](=[N,O,S])[#7,#8,#16][#6][#7,#8,#16]1"
	],
	[
	"TA585",
	"[C,O]=[#6]1[#7,#8,#16][#6](=[O,N,SX1])c2ccccc12"
	],
	[
	"TA586",
	"[!$(C=C);!$(C#C)]C(=[O,SX1,N])[O,S,N][CX4,O,S][$(C=O),a,$(C=C),$(C#C),$(C=N),$(C#N)]"
	],
	[
	"TA588",
	"[CH2,CH]=C1C(=[OX1,SX1])**C1"
	],
	[
	"TA589",
	"c1c([OH,NH2,NH])c([OH,NH2,NH,$(N=N),$(N(C)C)])ccc1"
	],
	[
	"TA590",
	"c1c([OH,NH2,NH])ccc([OH,NH2,NH,$(N=N),$(N(C)C)])c1"
	],
	[
	"TA591",
	"c1c([OH,NH2,NH])cc([OH,NH2,NH,$(N(C)C)])cc1"
	],
	[
	"TA592",
	"c1([OH])c(O[CH3])cccc1"
	],
	[
	"TA596",
	"C([F,Cl,Br,I])[CH2,CH][a]"
	],
	[
	"TA600",
	"[OH]c1cccc2ccccc12"
	],
	[
	"TA611",
	"[#6,#1][CX3]([H])=[OX1]"
	],
	[
	"TA612",
	"[$([#6&!$(C=[O,N,S])]1[OX2][CX3](=[OX1])[#6]1),$([#6&!$(C=[O,N,S])]1[OX2][CX3](=[OX1])[#6][#6]1)]"
	],
	[
	"TA613",
	"[CX4]1[OX2][CX4]1"
	],
	[
	"TA615",
	"[#6][Sv6X4!R](=[OX1])(=[OX1])[OX2!R][#6]"
	],
	[
	"TA620",
	"[F,Cl,Br,I][#6][CX3](=[OX1])[OX2H1]"
	],
	[
	"TA621",
	"[F,Cl,Br,I][#6][CX3](=[OX1])[NX3]"
	],
	[
	"TA622",
	"[$([F,Cl,Br,I]C[OX2]C),$([F,Cl,Br,I]CC[OX2]C)]"
	],
	[
	"TA624",
	"[F,Cl,Br,I][CH2][CH2][NX3]"
	],
	[
	"TA625",
	"[#6]=[#6][CX3](=[OX1])[NX3]"
	],
	[
	"TA626",
	"C=CC#[NX1]"
	],
	[
	"TA628",
	"[#6]=[#6][$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]"
	],
	[
	"TA629",
	"[#6]=[#6][Sv6X4](=[OX1])(=[OX1])"
	],
	[
	"TA630",
	"[#6]=[#6][CX3](=[OX1])[OX2][#6]"
	],
	[
	"TA631",
	"[CX3]=[CX3][CX3](=[OX1])[OX2H1]"
	],
	[
	"TA632",
	"[#6]=[#6][CX3](=[OX1])([!#1!$([OH1])])"
	],
	[
	"TA633",
	"[#6X3]1=,:[#6X3]-,:[#6X3](=[OX1])-,:[#6X3]=,:[#6X3]-,:[#6X3]1(=[OX1])"
	],
	[
	"TA634",
	"[*!$([a])&!$(C=C)&!$(C#C)][CX4][F,Cl,Br,I]"
	],
	[
	"TA636",
	"[a][F,Cl,Br,I]"
	],
	[
	"TA637",
	"[F,Cl,Br,I][CX4][CX3]=[CX3]"
	],
	[
	"TA638",
	"c[CX4][F,Cl,Br,I]"
	],
	[
	"TA642",
	"[NX4+]([CX4])([CX4])([CX4])([CX4])"
	],
	[
	"TA648",
	"[SX2][SX2]"
	],
	[
	"TA658",
	"NOT [!#6!#1!#8] AND [$([CX4!R][OX2;!$(O(C1)C1);!$([OX2][OX2])][CX4!R]),$([CX4]1[OX2][CX4][CX4]1),$([CX4]1[OX2][CX4][CX4][CX4]1),$([CX4]1[OX2][CX4][CX4][CX4][CX4]1),$([CX4]1[OX2][CX4][CX4][CX4][CX4][CX4]1)]"
	],
	[
	"TA659",
	"NOT [!#6!#1!#8] AND [OX2H1][CX4][C!$(C(=,#C)[CX4][OX2H1])]"
	],
	[
	"TA660",
	"NOT [!#6!#1!#8] AND [a;!$(a-[OH1]);!$(a[CX4][OH1])][$(C~[CX4][OH1]),$(C~C~[CX4][OH1]),$(C~C~C~[CX4][OH1]),$(C~C~C~C~[CX4][OH1]),$(C~C~C~C~C~[CX4][OH1]),$(C~C~C~C~C~C~[CX4][OH1]),$(C~C~C~C~C~C~C~[CX4][OH1]),$(C~C~C~C~C~C~C~C~[CX4][OH1]),$(C~C~C~C~C~C~C~C~C~[CX4][OH1])]"
	],
	[
	"TA661",
	"NOT [!#6!#1!#8] AND [CX4][CX3](=[OX1])[CX4]"
	],
	[
	"TA662",
	"NOT [!#6!#1!#7] AND [$([NX3H1](C)C),$([NX3](C)(C)C)]"
	],
	[
	"TA666",
	"NOT [!#1!#6!#7!#8!#16!F!Cl!Br] AND [CX4]1[OX2,NX3][CX4]1"
	],
	[
	"TA667",
	"NOT [!#1!#6!#7!#8!#16!F!Cl!Br] AND [$(C=,#C[$(C=O),$(C(=[OX1])[OX2]),$(C#N),$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-]),$(C(=[OX1])[NX3]),$([Sv6X4](=[OX1])(=[OX1]))]),$([$([#6X3]1=,:[#6X3][CX3](=[OX1])[#6X3]=,:[#6X3][#6X3]1(=[OX1])),$([CX3]1(=[OX1])[CX3](=[OX1])[#6X3]=,:[#6X3][#6X3]=,:[#6X3]1)])]"
	],
	[
	"TA668",
	"NOT [!#1!#6!#7!#8!#16!F!Cl!Br] AND [NX3H1][NX3H1]"
	],
	[
	"TA669",
	"NOT [!#1!#6!#7!#8!#16!F!Cl!Br] AND [#6][NX2]=[NX2][#6]"
	],
	[
	"TA670",
	"NOT [!#1!#6!#7!#8!#16!F!Cl!Br] AND [$([#6][NX2]=[NX2+]=N),$([#6][NX2]=[NX2+]=[NX1-]),$([#6][NX2-]-[NX2+]#[NX1]),$([#6][NX3]([#6])[NX2]=[NX2][#6]),$([CX3]=[NX2+]=N),$([CX3]=[NX2]=[NX1]),$([CX3]=[NX2+]=[NX1-]),$([CX3-][NX2+]#[NX1])]"
	],
	[
	"TA673",
	"NOT [!#1!#6!#7!#8!#16!F!Cl!Br] AND [CX4R][CX3R](=[OX1])[OX2R][CX4R]"
	],
	[
	"TA677",
	"NOT [!#1!#6!#7!#8!#16!F!Cl!Br] AND [#1,#6][CX3]([H])(=[OX1])"
	],
	[
	"TA681",
	"NOT [!#1!#6!#7!#8!#16!F!Cl!Br] AND [#6][SX2][SX2][#6]"
	],
	[
	"TA682",
	"NOT [!#1!#6!#7!#8!#16!F!Cl!Br] AND [#6][Sv6X4](=[OX1])(=[OX1])[OX2][#6]"
	],
	[
	"TA685",
	"NOT [!#1!#6!#7!#8!#16!F!Cl!Br] AND [#6;!$(C(=O)[OX2])][OX2][CX4][F,Cl,Br]"
	],
	[
	"TA686",
	"NOT [!#1!#6!#7!#8!#16!F!Cl!Br] AND [#6;!$(C(=O)[OX2])][OX2][CX4][CX4][F,Cl,Br]"
	],
	[
	"TA687",
	"NOT [!#1!#6!#7!#8!#16!F!Cl!Br] AND [#7X3;0][CH2][CH2][F,Cl,Br]"
	],
	[
	"TA690",
	"[OX2,SX2][CX3](=[OX1,SX1])[NX3]"
	],
	[
	"TA691",
	"NOT [!#6!#1!#8!F!Cl!Br] AND [$([$([CX4!R][OX2;!$(O(C1)C1);!$([OX2][OX2])][CX4!R]),$([CX4]1[OX2][CX4][CX4]1),$([CX4]1[OX2][CX4][CX4][CX4]1),$([CX4]1[OX2][CX4][CX4][CX4][CX4]1),$([CX4]1[OX2][CX4][CX4][CX4][CX4][CX4]1)]),$([OX2H1][CX4][!$(C(=C)[CX4][OX2H1]);!$(C(#C)[CX4][OX2H1]);!$(a[CX4][OX2H1])]),$([a;!$(a-[OH1]);!$(a[CX4][OH1])][$(C~[CX4][OH1]),$(C~C~[CX4][OH1]),$(C~C~C~[CX4][OH1]),$(C~C~C~C~[CX4][OH1]),$(C~C~C~C~C~[CX4][OH1]),$(C~C~C~C~C~C~[CX4][OH1]),$(C~C~C~C~C~C~C~[CX4][OH1]),$(C~C~C~C~C~C~C~C~[CX4][OH1]),$(C~C~C~C~C~C~C~C~C~[CX4][OH1])]),$([CX4][CX3](=[OX1])[CX4])] AND [$([#6][F,Cl,Br]);!$([F,Cl,Br]CC=C);!$([F,Cl,Br]CC#C);!$([F,Cl,Br]Ca)]"
	],
	[
	"TA700",
	"NOT [!#1!#6!#7!#8!#16!F!Cl!Br] AND [a][CX4][$([OX2][Sv6X4](=[OX1])(=[OX1])[OH]),$([OX2][Sv6X4](=[OX1])(=[OX1])[OX2][CH3]),$([OX2][Sv6X4](=[OX1])(=[OX1])[CH3]),$([OX2][Sv6X4](=[OX1])(=[OX1])[CF3]),$([OX2][Sv6X4](=[OX1])(=[OX1])c1ccc([CH3])cc1),$([Br,Cl])]"
	],
	[
	"TA705",
	"[CH,$([C!R](=[O,SX1])[#6!R])](=[O,SX1])[O!R,SX2!R,NX3!R][$([a;r6]),$([a;r5]),$(C=C),$(C#C)]"
	],
	[
	"TA713",
	"C1C(=O)NC1"
	],
	[
	"TA714",
	"C1=[O,SX2,NX2,CX3]CC(=[O,SX2])[O,SX2,NX3]1"
	],
	[
	"TA722",
	"[$([$([CH2]),$([CH][#6])]=[CH,$(C[#6])]C(=O)[#6]);!$([#6X3]1=,:[#6X3H][CX3](=[OX1])[#6X3]=,:[#6X3][#6X3]1(=[OX1]));!$([CX3]1(=[OX1])[CX3](=[OX1])[#6X3]=,:[#6X3H][#6X3]=,:[#6X3]1)]"
	],
	[
	"TA723",
	"[$([CH2]),$([CH][#6])]=[CH,$(C[#6])]C(=O)O[#6]"
	],
	[
	"TA724",
	"[$([CH2]),$([CH][#6])]=[CH,$(C[#6])]C(=O)[NH2,$([NH](C=O)[#6]),$(N(C=O)([#6])[#6])]"
	],
	[
	"TA726",
	"[$([CH2]),$([CH][#6])]=[CH,$(C[#6])]C#N"
	],
	[
	"TA728",
	"[$([CH2]),$([CH][#6])]=[CH,$(C[#6])]S(=O)(=O)[#6]"
	],
	[
	"TA731",
	"[$([CH2]),$([CH][#6])]=[CH,$(C[#6])][$(c1ncccc1),$(c1ccncc1)]"
	],
	[
	"TA733",
	"[$([CH2]),$([CH][#6])]=[CH,$(C[#6])][$(c1ncncc1),$(c1ncccn1),$(c1cncnc1)]"
	],
	[
	"TA752",
	"[$(C1(=O)[#6]=,:[#6]C(=O)[CH]=C1),$(C1(=O)C(=O)[#6]=,:[#6][CH]=C1)]"
	],
	[
	"TA755",
	"[$(c1([OH,$(O[CH3])])c[cH]c([OH,$(O[CH3])])cc1),$(c1([OH,$(O[CH3])])c([OH,$(O[CH3])])cc[cH]c1)]"
	],
	[
	"TA759",
	"[$([cH]1cc(=[O,NH])cc[o,n]1),$([cH]1cc(=[O,NH])[o,n]cc1),$(c1cc(=[O,NH])[o,n][cH]c1)]"
	],
	[
	"TA760",
	"[c;R1,R2,R3]1[c;R1,R2,R3][c;R1,R2,R3][c;R2,R3]2[c;R2,R3]([c;R1,R2,R3]1)[c;R1,R2,R3][c;R1,R2,R3][c;R1,R2,R3][c;R1,R2,R3]2"
	],
	[
	"TA762",
	"[CH2,$([CH](=O)[CX4]),$([CH](=O)c1a()caaa1),$([CH](=O)c1a()aaa1)]=O"
	],
	[
	"TA763",
	"[#6][CH2][NX3H2]"
	],
	[
	"TA767",
	"[CH,$(C(=O)([CX4]C=O)[CX4]),$(C(=O)([CX4]C=O)c1a()aaaa1),$(C(=O)([CX4]C=O)c1a()aaa1)](=O)[CX4][CH,$(C(=O)([CX4]C=O)[#6]);!$(C(=O)([CX4]C=O)C=[CH2,CH]);!$(C(=O)([CX4]C=O)C#C)]=O"
	],
	[
	"TA772",
	"[CH3,$([CH2]([F,Cl,Br,I])[#6]),$([CH]([F,Br,Cl,I])([#6])[#6]);!$([CH2,CH]C=O);!$([CH2,CH][CX4][NX3,SX2]);!$([CH2,CH][CX4][F,Cl,Br,I])][F,Cl,Br,I]"
	],
	[
	"TA777",
	"[#6][O,SX2]P(=[O,SX1])([#6])[O,SX2][CH3,$([CH2](O)[#6]),$([CH](O)([#6])[#6])]"
	],
	[
	"TA778",
	"[#6]C(=[O,SX1])[O,SX2][CH2,$([CH]([O,SX2])[#6])][c,CX3,CX2]"
	],
	[
	"TA779",
	"[$([CH]=[O,SX1]),$(C([#6])=[O,SX1])][CH2,$([CH](C=[O,SX1])[#6])][F,Cl,Br,I]"
	],
	[
	"TA783",
	"[c][$([CH2]([c])[F,Cl,Br,I,$(C#N),$(OS(=O)(=O)O[#6]),$(OS(=O)(=O)[#6])]),$([CH]([a])([#6])[F,Cl,Br,I,$(C#N),$(OS(=O)(=O)O[#6]),$(OS(=O)(=O)[#6])])]"
	],
	[
	"TA785",
	"C1OC1"
	],
	[
	"TA789",
	"c1([CX3!R]=[CX3!R])ccccc1"
	],
	[
	"TA794",
	"[#6&!$([CX3]=[OX1,SX1,NX2])][SH]"
	],
	[
	"TA795",
	"[#6][SX2][SX2][#6]"
	],
	[
	"TA800",
	"[a][SX4](=O)(=O)[OH]"
	],
	[
	"TA810",
	"[NX3,SX2][CH2,$([CH]([NX3,SX2])([CX4])[CX4])][CH2,$([CH]([CX4])([Cl,Br,I])[CX4])][Cl,Br,I]"
	],
	[
	"TA824",
	"c1ccccc1[NX3]([#1,CX4!R,$(c1ccccc1),$([CX3](=[OX1])[#6]),$([CX3](=[OX1])[OX2][#6]),$([SX4](=[OX1])(=[OX1])[#1,#6])])[#1,CX4!R,$(c1ccccc1),$([CX3](=[OX1])[#6]),$([CX3](=[OX1])[OX2][#6]),$([SX4](=[OX1])(=[OX1])[#1,#6])]"
	],
	[
	"TA825",
	"[#6,#1][NX3H1][NX3H1][#6,#1]"
	],
	[
	"TA826",
	"a[$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]"
	],
	[
	"TA828",
	"[#1,CX4!R][NX3]([#1,CX4!R])[CH2]c1ccccc1"
	],
	[
	"TA833",
	"[CX3H1](=[OX1])[NX3H1][#6]"
	],
	[
	"TA835",
	"[#1,#6][CX3](=[SX1])[NX3]([#1,#6])[#1,#6]"
	],
	[
	"TA836",
	"[#1,#6][NX3]([#1,#6])[CX3](=[SX1])[#7]"
	],
	[
	"TA838",
	"[SX2!H0][#1,#6&!$([CX3]([SH1])=[OX1,SX1,NX2])]"
	],
	[
	"TA840",
	"[$(c1([OH1])c([OH1])cccc1),$(c1([OH1])ccc([OH1])cc1)]"
	],
	[
	"TA841",
	"[$([#6]1(=[OX1])-,:[#6]=,:[#6]-,:[#6](=[OX1])-,:[#6]=,:[#6]1),$([#6]1(=[OX1])-,:[#6](=[OX1])-,:[#6]=,:[#6]-,:[#6]=,:[#6]1)]"
	],
	[
	"TA842",
	"[$(c1([OH1])c([CX4]([#1,#6])[#1,#6])cccc1),$(c1([OH1])ccc([CX4]([#1,#6])[#1,#6])cc1)]"
	],
	[
	"TA845",
	"c1ccc([nX3]2([#1,#6]))c(c([CH2][#1,#6])c2)c1"
	],
	[
	"TA846",
	"c1ccc[oX2]1"
	],
	[
	"TA847",
	"c1ccc[sX2]1"
	],
	[
	"TA848",
	"[$(c1([#1,CX4!R])c([#1,CX4!R])[nX2]c([#1,CX4!R])[sX2]1),$(c1([#1,CX4!R])c([#1,CX4!R])[nX2]c([NX3]([#1,CX4!R])[#1,CX4!R])[sX2]1)]"
	],
	[
	"TA852",
	"[$(n1c([Cl,Br,I,F])cccc1),$(n1cccc([Cl,Br,I,F])cc1)]"
	],
	[
	"TA853",
	"nc[$([OX2][Sv6X4](=[OX1])(=[OX1])[OH]),$([OX2][Sv6X4](=[OX1])(=[OX1])[OX2][CH3]),$([OX2][Sv6X4](=[OX1])(=[OX1])[CH3]),$([OX2][Sv6X4](=[OX1])(=[OX1])[CF3]),$([OX2][Sv6X4](=[OX1])(=[OX1])c1ccc([CH3])cc1),$([I,Br,Cl])]"
	],
	[
	"TA854",
	"[#6][CX2]#[CX2][#1,#6]"
	],
	[
	"TA855",
	"[$([CX3]=[CX3][$([$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CX3](=[OX1])[OX2][#1,#6]),$([Sv6X4](=[OX1])(=[OX1])[OH]),$([CX3](=[OX1])[#1,F,Cl,Br,I]),$([CX2]#[NX1]),$([CX4]([F,Cl])([F,Cl])[F,Cl]),$([CH2][OH]),$([CH2][$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]),$([CH2][F,Cl])]),$([CX3]=[CX3][CX3](=[OX1])[#1,#6])]"
	],
	[
	"TA856",
	"[$([CX4]([F,Cl,Br,I])([H,!F!Cl!Br!I])([H,!F!Cl!Br!I])[H,!F!Cl!Br!I]),$([CX4]([#6])([F,Cl,Br,I])([F,Cl,Br,I])[H,!F!Cl!Br!I])]"
	],
	[
	"TA857",
	"[#6][CX3](=[OX1])[OH1]"
	],
	[
	"TA858",
	"[$([F][CX4][$([CH2]),$([CH]),$(C[OH1])][OX2][#1,#6]),$([F][CX4][$([CH2]),$([CH]),$(C[OH1])][NX3][#6])]"
	],
	[
	"TA859",
	"[#6]1~[#6][#7,#8,#16]1"
	],
	[
	"TA860",
	"[Sv2X2H1]"
	],
	[
	"TA861",
	"SS"
	],
	[
	"TA863",
	"[CX3!H0]=[OX1]"
	],
	[
	"TA865",
	"S(=O)(=O)O"
	],
	[
	"TA866",
	"[CX3](=[OX1])[CX4]([F,Cl,Br,I])([F,Cl,Br,I])[F,Cl,Br,I]"
	],
	[
	"TA867",
	"[CX3](=[OX1])C[Cl,Br,I]"
	],
	[
	"TA868",
	"[CX4][Br,Cl,I]"
	],
	[
	"TA870",
	"[Sv6X4](=[OX1])(=[OX1])[OH1]"
	],
	[
	"TA871",
	"P"
	],
	[
	"TA872",
	"I"
	],
	[
	"TA875",
	"[Si]"
	],
	[
	"TA877",
	"[CX3]=[SX1!R]"
	],
	[
	"TA878",
	"[CX3](=[OX1])CC[F,Cl,Br,I]"
	],
	[
	"TA879",
	"[CX3](=[OX1])[C!H0]C[OH1]"
	],
	[
	"TA880",
	"CC([Cl,Br,I])([Cl,Br,I])C"
	],
	[
	"TA881",
	"[$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]cc[F,Cl,Br]"
	],
	[
	"TA882",
	"[$([NX3](=[OX1])=[OX1]),$([NX3+](=[OX1])[O-])]cccc[F,Cl,Br]"
	],
	[
	"TA883",
	"nc[F,Cl,Br]"
	],
	[
	"TA884",
	"nccc[F,Cl,Br]"
	],
	[
	"TA885",
	"[#7][CX3](=[SX1])[#7]"
	],
	[
	"TA886",
	"N1C(=[OX1,SX1])NC(=[OX1,SX1])C(=C)C1(=[OX1,SX1])"
	],
	[
	"TA887",
	"[CX4H2!R][CH2][CH2][CX4H2!R][CH2]"
	],
	[
	"TA889",
	"[!#1!#6]C~C[!#1!#6]C~C[!#1!#6]C~C[!#1!#6]C~C[!#1!#6]C~C[!#1!#6]C~C"
	],
	[
	"TA890",
	"c1cccc2c1oc(=O)c([$(C=[OX1]),$(C=[SX1]),$(S=[OX1]),$(C#[NX1]),F,Cl,Br,I,$([CX4]([F,Cl,Br,I])([F,Cl,Br,I])([F,Cl,Br,I]));!$([CX3](=[OX1])[OH1])])[c!H0]2"
	],
	[
	"TA892",
	"c1cccc2c1oc(=[OX1])[c!H0]c2"
	],
	[
	"TA893",
	"c1cccc2c1nc(=[OX1])[c!H0]c2"
	],
	[
	"TA898",
	"[CX3!H0!R]=[CX3!R][CX3]=[OX1]"
	],
	[
	"TA899",
	"[CX3!H0!R]=[CX3!R][CX2]#[NX1]"
	],
	[
	"TA902",
	"CC(=[OX1])C(=[OX1])[#6,#7]"
	],
	[
	"TA906",
	"c1c([OH1])c([OH1])ccc1"
	],
	[
	"TA907",
	"[N!R][N!R]"
	],
	[
	"TA908",
	"CC([OX2]C)([OX2]C)C"
	],
	[
	"TA909",
	"[CX4H1](C)([OX2]C)([OX2])"
	],
	[
	"TA912",
	"[NX3H2][#7,#8]"
	],
	[
	"TA913",
	"[NX3]([OH1])[CX4]"
	],
	[
	"TA914",
	"[NX2]=[OX1]"
	],
	[
	"TA916",
	"N1C(=[SX1])[SX2]C(=C)[CX3]1=[OX1]"
	],
	[
	"TA917",
	"[C!R]([Cl,Br,I])[Cl,Br,I]"
	],
	[
	"TA918",
	"[N!R]=[C,N]"
	],
	[
	"TA919",
	"[$([#7+R][OX1-!R]),$([#7v5R]=[OX1!R]);!$([#7](~[O])~[O]);!$([#7]=[#7])]"
	],
	[
	"TA921",
	"a1c([F,Cl,Br,I])c([F,Cl,Br,I])ac([F,Cl,Br,I])a1"
	],
	[
	"TA923",
	"CC(=[!#1!#6;!R])C(=[!#1!#6;!R])C"
	],
	[
	"TA925",
	"[#6X3]1=,:[#6X3][CX3](=[!#1!#6])[#6X3]=,:[#6X3][#6X3]1(=[!#1!#6])"
	],
	[
	"TA926",
	"[$([$([R2]([R])([R])([R]))].[$([R2]([R])([R])([R]))].[$([R2]([R])([R])([R]))].[$([R2]([R])([R])([R]))].[$([R2]([R])([R])([R]))].[$([R2]([R])([R])([R]))]),$([$([R3]([R3])([R2,R3])([R2,R3]))].[$([R3]([R3])([R2,R3])([R2,R3]))]),$([$([R2,R3]([R3])([R])([R]))].[$([R2,R3]([R3])([R])([R]))].[$([R3]([R2,R3])([R2,R3])([R2,R3]))].[$([R2,R3]([R3])([R2,R3])([R]))].[$([R2,R3]([R2,R3])([R2,R3])([R]))].[$([R2,R3]([R2,R3])([R])([R]))]),$([$([R2,R3]([R3])([R])([R]))].[$([R3]([R2,R3])([R2,R3])([R2,R3]))].[$([R2,R3]([R3])([R])([R]))].[$([R2,R3]([R3])([R2,R3])([R]))].[$([R2,R3]([R2,R3])([R2,R3])([R]))].[$([R2,R3]([R2,R3])([R])([R]))])]"
	],
	[
	"TA927",
	"C1C4CC9CC1CC(C4)C9"
	],
	[
	"TA933",
	"N#CC=[C!H0]"
	],
	[
	"TA935",
	"[#6][CH]=O"
	],
	[
	"TA936",
	"[CX4,C!H0][Br,Cl,I]"
	],
	[
	"TA937",
	"[!$([C,S]=O)]N([!$([C,S]=O)])[CX4]N([!$([C,S]=O)])[!$([C,S]=O)]"
	],
	[
	"TA940",
	"[#7][#8][C,S]=O"
	],
	[
	"TA941",
	"[F,Br,Cl,I]-cn"
	],
	[
	"TA942",
	"[F,Cl,Br,I][$(aa[Nv4,S!v2]),$(aaa[Nv4,S!v2]),$(aaaa[Nv4,S!v2])]"
	],
	[
	"TA943",
	"[NX1]~[NX2]~[NX2]"
	],
	[
	"TA946",
	"[#6+,#17+,#53+,#15+,#16+]"
	],
	[
	"TA947",
	"[#16][#16]"
	],
	[
	"TA948",
	"[#6][CX3](!@N)=[CX3][#6]"
	],
	[
	"TA949",
	"C1[O,S,N]C1"
	],
	[
	"TA950",
	"[!#1&!#6][F,Cl,Br,I]"
	],
	[
	"TA953",
	"[#7]!@-N"
	],
	[
	"TA955",
	"[C!H0]=C(C#N)C(=O)"
	],
	[
	"TA956",
	"[!c][C!H0]=CC=O"
	],
	[
	"TA957",
	"[C!H0]=C[S,N]=O"
	],
	[
	"TA958",
	"nC(=O)[#6]"
	],
	[
	"TA959",
	"[NR0]-[SR0!v6]"
	],
	[
	"TA960",
	"C(=O)O[$(aa[Nv4,S!v2]),$(aaa[Nv4,S!v2]),$(aaaa[Nv4,S!v2])]"
	],
	[
	"TA964",
	"[#6]P(=O)O[#6]"
	],
	[
	"TA965",
	"NP(=[N,O,S])"
	],
	[
	"TA971",
	"[#6]S(=O)(=O)O[#6]"
	],
	[
	"TA972",
	"C(=S)[O,S,N]"
	],
	[
	"TA973",
	"[CR0](=O)S"
	],
	[
	"TA974",
	"[#6][Sv2H]"
	],
	[
	"TA975",
	"C(=S)[!#1!H0]"
	],
	[
	"TA978",
	"[#6!c][N!v3]=O"
	],
	[
	"TA980",
	"[NR0,SR0]=[NR0]"
	],
	[
	"TA981",
	"c1(cc(N)cc2)c2cccc1"
	],
	[
	"TA982",
	"[#6]P[#6]"
	],
	[
	"TA988",
	"[CX3R0](=O)[CX3R0](=O)"
	],
	[
	"TA989",
	"F.F.F.F.F.F.F"
	],
	[
	"TA990",
	"[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I]"
	],
	[
	"TA991",
	"[NR0v3]-[OR0]"
	],
	[
	"TA992",
	"[$([#6][CHR0]=[NR0]),$([#6][CR0]([#6])=[NR0])]"
	],
	[
	"TA993",
	"C=C(C#N)(C#N)"
	],
	[
	"TA994",
	"[$([#7+][O-]),$([#7v5]=O);!$([#7](~[OD1])~[OD1])]"
	],
	[
	"TA995",
	"c12ccccc1cccc2.c12ccccc1cccc2"
	],
	[
	"TA997",
	"N(~[OD1])~[OD1].N(~[OD1])~[OD1]"
	],
	[
	"TA998",
	"[NX2]=O"
	],
	[
	"TA999",
	"[!#1;!#6;!#7;!#8;!#9;!#11;!#12;!#15;!#16;!#17;!#19;!#20;!#35;!#53]"
	]
	]