group_name,charge,num_protons,num_mgs,full_name
primary -Cl3,0,0,0,primary -Cl3 [H0 Z0 Mg0]
primary -Cl2,0,0,0,primary -Cl2 [H0 Z0 Mg0]
secondary -Cl2,0,0,0,secondary -Cl2 [H0 Z0 Mg0]
primary -Cl,0,0,0,primary -Cl [H0 Z0 Mg0]
secondary -Cl,0,0,0,secondary -Cl [H0 Z0 Mg0]
tertiary -Cl,0,0,0,tertiary -Cl [H0 Z0 Mg0]
ring -Cl,0,0,0,ring -Cl [H0 Z0 Mg0]
ring -Br,0,0,0,ring -Br [H0 Z0 Mg0]
ring -I,0,0,0,ring -I [H0 Z0 Mg0]
ring -F,0,0,0,ring -F [H0 Z0 Mg0]
-Br,0,0,0,-Br [H0 Z0 Mg0]
-I,0,0,0,-I [H0 Z0 Mg0]
-F,0,0,0,-F [H0 Z0 Mg0]
-S-O,0,1,0,-S-O [H1 Z0 Mg0]
-S-O,-1,0,0,-S-O [H0 Z-1 Mg0]
ring -s-,0,0,0,ring -s- [H0 Z0 Mg0]
ring -S-,0,0,0,ring -S- [H0 Z0 Mg0]
-SO3,0,1,0,-SO3 [H1 Z0 Mg0]
-SO3,-1,0,0,-SO3 [H0 Z-1 Mg0]
-SO2-,0,0,0,-SO2- [H0 Z0 Mg0]
-SOO,-1,0,0,-SOO [H0 Z-1 Mg0]
-SOO,0,1,0,-SOO [H1 Z0 Mg0]
-S<,0,0,0,-S< [H0 Z0 Mg0]
-S-S-,0,0,0,-S-S- [H0 Z0 Mg0]
ring -S-S-,0,0,0,ring -S-S- [H0 Z0 Mg0]
-C(=O)S-,0,0,0,-C(=O)S- [H0 Z0 Mg0]
-C(=O)S,0,1,0,-C(=O)S [H1 Z0 Mg0]
-C(=O)S,-1,0,0,-C(=O)S [H0 Z-1 Mg0]
-S,0,1,0,-S [H1 Z0 Mg0]
-S,-1,0,0,-S [H0 Z-1 Mg0]
-S-,0,0,0,-S- [H0 Z0 Mg0]
-CO-OPO3,-2,0,0,-CO-OPO3 [H0 Z-2 Mg0]
-CO-OPO3,-1,1,0,-CO-OPO3 [H1 Z-1 Mg0]
-CO-OPO3,0,2,0,-CO-OPO3 [H2 Z0 Mg0]
CO-OPO3,-2,1,0,CO-OPO3 [H1 Z-2 Mg0]
CO-OPO3,-1,2,0,CO-OPO3 [H2 Z-1 Mg0]
CO-OPO3,0,3,0,CO-OPO3 [H3 Z0 Mg0]
-OPO3-,-1,0,0,-OPO3- [H0 Z-1 Mg0]
-OPO3-,0,1,0,-OPO3- [H1 Z0 Mg0]
-OPO2-,-1,0,0,-OPO2- [H0 Z-1 Mg0]
-OPO2-,0,1,0,-OPO2- [H1 Z0 Mg0]
-OPO3,-2,0,0,-OPO3 [H0 Z-2 Mg0]
-OPO3,-1,1,0,-OPO3 [H1 Z-1 Mg0]
-OPO3,0,2,0,-OPO3 [H2 Z0 Mg0]
-OPO3-OPO2-,-2,0,0,-OPO3-OPO2- [H0 Z-2 Mg0]
-OPO3-OPO2-,-1,1,0,-OPO3-OPO2- [H1 Z-1 Mg0]
-OPO3-OPO2-,0,2,0,-OPO3-OPO2- [H2 Z0 Mg0]
-OPO3-OPO2-,0,0,1,-OPO3-OPO2- [H0 Z0 Mg1]
-OPO2-OPO2-,-2,0,0,-OPO2-OPO2- [H0 Z-2 Mg0]
-OPO2-OPO2-,-1,1,0,-OPO2-OPO2- [H1 Z-1 Mg0]
-OPO2-OPO2-,0,2,0,-OPO2-OPO2- [H2 Z0 Mg0]
-OPO2-OPO2-,0,0,1,-OPO2-OPO2- [H0 Z0 Mg1]
ring -OPO3-,-1,0,0,ring -OPO3- [H0 Z-1 Mg0]
ring -OPO3-,0,1,0,ring -OPO3- [H1 Z0 Mg0]
ring -OPO3-OPO2-,-2,0,0,ring -OPO3-OPO2- [H0 Z-2 Mg0]
ring -OPO3-OPO2-,-1,1,0,ring -OPO3-OPO2- [H1 Z-1 Mg0]
ring -OPO3-OPO2-,0,2,0,ring -OPO3-OPO2- [H2 Z0 Mg0]
ring -OPO2-OPO2-,-2,0,0,ring -OPO2-OPO2- [H0 Z-2 Mg0]
ring -OPO2-OPO2-,-1,1,0,ring -OPO2-OPO2- [H1 Z-1 Mg0]
ring -OPO2-OPO2-,0,2,0,ring -OPO2-OPO2- [H2 Z0 Mg0]
ring -OPO2-OPO2-,0,0,1,ring -OPO2-OPO2- [H0 Z0 Mg1]
N-PO3,-2,0,0,N-PO3 [H0 Z-2 Mg0]
N-PO3,-1,1,0,N-PO3 [H1 Z-1 Mg0]
N-PO3,0,2,0,N-PO3 [H2 Z0 Mg0]
C-PO3,-2,0,0,C-PO3 [H0 Z-2 Mg0]
C-PO3,-1,1,0,C-PO3 [H1 Z-1 Mg0]
C-PO3,0,2,0,C-PO3 [H2 Z0 Mg0]
-NO2,0,0,0,-NO2 [H0 Z0 Mg0]
NC(=N)N,0,0,0,NC(=N)N [H0 Z0 Mg0]
ring nc(=n)n,0,0,0,ring nc(=n)n [H0 Z0 Mg0]
two fused rings =n<,0,0,0,two fused rings =n< [H0 Z0 Mg0]
ring =n<,1,0,0,ring =n< [H0 Z1 Mg0]
ring =n<,0,0,0,ring =n< [H0 Z0 Mg0]
ring -n=,1,1,0,ring -n= [H1 Z1 Mg0]
ring -n=,0,0,0,ring -n= [H0 Z0 Mg0]
ring -n=,-1,0,0,ring -n= [H0 Z-1 Mg0]
two fused rings -N<,1,1,0,two fused rings -N< [H1 Z1 Mg0]
two fused rings -N<,0,0,0,two fused rings -N< [H0 Z0 Mg0]
two fused rings =N<,1,0,0,two fused rings =N< [H0 Z1 Mg0]
ring =N<,1,0,0,ring =N< [H0 Z1 Mg0]
-N-,1,2,0,-N- [H2 Z1 Mg0]
-N-,0,1,0,-N- [H1 Z0 Mg0]
-N-,-1,0,0,-N- [H0 Z-1 Mg0]
ring =N-,1,1,0,ring =N- [H1 Z1 Mg0]
ring =N-,0,0,0,ring =N- [H0 Z0 Mg0]
ring -N-,1,2,0,ring -N- [H2 Z1 Mg0]
ring -N-,0,1,0,ring -N- [H1 Z0 Mg0]
ring -N-,-1,0,0,ring -N- [H0 Z-1 Mg0]
ring -N<,1,1,0,ring -N< [H1 Z1 Mg0]
ring -N<,0,0,0,ring -N< [H0 Z0 Mg0]
=N,1,2,0,=N [H2 Z1 Mg0]
=N,0,1,0,=N [H1 Z0 Mg0]
ring N-CO-N,0,0,0,ring N-CO-N [H0 Z0 Mg0]
N-CO-N,0,0,0,N-CO-N [H0 Z0 Mg0]
N-COO,0,1,0,N-COO [H1 Z0 Mg0]
N-COO,-1,0,0,N-COO [H0 Z-1 Mg0]
N-COO-,0,0,0,N-COO- [H0 Z0 Mg0]
N-CO,0,1,0,N-CO [H1 Z0 Mg0]
-N-CO-,0,0,0,-N-CO- [H0 Z0 Mg0]
N-CO-,0,0,0,N-CO- [H0 Z0 Mg0]
-N,1,3,0,-N [H3 Z1 Mg0]
-N,0,2,0,-N [H2 Z0 Mg0]
-N,-1,1,0,-N [H1 Z-1 Mg0]
ring >c-N,0,2,0,ring >c-N [H2 Z0 Mg0]
ring >c-N,1,3,0,ring >c-N [H3 Z1 Mg0]
-N<,1,1,0,-N< [H1 Z1 Mg0]
-N<,0,0,0,-N< [H0 Z0 Mg0]
=N-,0,0,0,=N- [H0 Z0 Mg0]
=N-,1,1,0,=N- [H1 Z1 Mg0]
>N<,1,0,0,>N< [H0 Z1 Mg0]
=N=O,1,0,0,=N=O [H0 Z1 Mg0]
-O-CO-O-,0,0,0,-O-CO-O- [H0 Z0 Mg0]
ring -o-cO-,0,0,0,ring -o-cO- [H0 Z0 Mg0]
ring -O-CO-,0,0,0,ring -O-CO- [H0 Z0 Mg0]
-O-CO-,0,0,0,-O-CO- [H0 Z0 Mg0]
-O-C=O,0,0,0,-O-C=O [H0 Z0 Mg0]
ring >c-O,0,1,0,ring >c-O [H1 Z0 Mg0]
ring >c-O,-1,0,0,ring >c-O [H0 Z-1 Mg0]
ring >C=O,0,0,0,ring >C=O [H0 Z0 Mg0]
ring >C-O,0,2,0,ring >C-O [H2 Z0 Mg0]
ring >C(-O)-,0,1,0,ring >C(-O)- [H1 Z0 Mg0]
ring >C(-O)-,-1,0,0,ring >C(-O)- [H0 Z-1 Mg0]
-COO,-1,0,0,-COO [H0 Z-1 Mg0]
-COO,0,1,0,-COO [H1 Z0 Mg0]
>C=O,0,0,0,>C=O [H0 Z0 Mg0]
-C=O,0,1,0,-C=O [H1 Z0 Mg0]
ring -o-,0,0,0,ring -o- [H0 Z0 Mg0]
ring -O-,0,0,0,ring -O- [H0 Z0 Mg0]
-C-O,0,3,0,-C-O [H3 Z0 Mg0]
-C-O,-1,2,0,-C-O [H2 Z-1 Mg0]
-C(-O)-,0,2,0,-C(-O)- [H2 Z0 Mg0]
-C(-O)-,-1,1,0,-C(-O)- [H1 Z-1 Mg0]
>C(-O)-,0,1,0,>C(-O)- [H1 Z0 Mg0]
>C(-O)-,-1,0,0,>C(-O)- [H0 Z-1 Mg0]
[N]-O,0,1,0,[N]-O [H1 Z0 Mg0]
[N]-O,-1,0,0,[N]-O [H0 Z-1 Mg0]
-O-,0,0,0,-O- [H0 Z0 Mg0]
-C#C-,0,1,0,-C#C- [H1 Z0 Mg0]
-C#C,0,1,0,-C#C [H1 Z0 Mg0]
-C#C,-1,0,0,-C#C [H0 Z-1 Mg0]
N#C-,0,0,0,N#C- [H0 Z0 Mg0]
3-ring =c<,0,0,0,3-ring =c< [H0 Z0 Mg0]
2-ring >C<,0,0,0,2-ring >C< [H0 Z0 Mg0]
2-ring -C<,0,1,0,2-ring -C< [H1 Z0 Mg0]
2-ring -C-,0,2,0,2-ring -C- [H2 Z0 Mg0]
2-ring =C<,0,0,0,2-ring =C< [H0 Z0 Mg0]
(1+1)-ring =C<,0,0,0,(1+1)-ring =C< [H0 Z0 Mg0]
2-ring =c<,0,0,0,2-ring =c< [H0 Z0 Mg0]
ring =c-,0,1,0,ring =c- [H1 Z0 Mg0]
ring =c<,0,0,0,ring =c< [H0 Z0 Mg0]
ring =C<,0,0,0,ring =C< [H0 Z0 Mg0]
ring =C-,0,1,0,ring =C- [H1 Z0 Mg0]
=C-,0,1,0,=C- [H1 Z0 Mg0]
=C,0,2,0,=C [H2 Z0 Mg0]
=C<,0,0,0,=C< [H0 Z0 Mg0]
ring >C<,0,0,0,ring >C< [H0 Z0 Mg0]
>C<,0,0,0,>C< [H0 Z0 Mg0]
ring -C<,0,1,0,ring -C< [H1 Z0 Mg0]
-C<,0,1,0,-C< [H1 Z0 Mg0]
ring -C-,0,2,0,ring -C- [H2 Z0 Mg0]
-C-,0,2,0,-C- [H2 Z0 Mg0]
-C,0,3,0,-C [H3 Z0 Mg0]
Origin,0,0,0,Origin [H0 Z0 Mg0]