0  B20R2.9348855  CC1C[C@@H](NCC)c2cc([s]c2S1(=O)=O)S(N)(=O)=O Amb19132045 [0,0,0,0,0,0|0,0,0]=0
1  B20R2.9348855  CCNC1CC(C)S(=O)(=O)c2c1cc(s2)S(=O)(=O)N Amb17613578 [0,0,0,0,0,0|0,0,0]=0
2  B20R2.9348855  CC[NH2+]C1CC(C)[S+](=O)(c2c1cc(s2)S(=O)(=O)N)[O-] Amb10239018 [0,0,0,0,0,0|0,0,3]=3
3  B20R2.9348855  C[C@@H]1C[C@@H](NCC)c2cc([s]c2S1(=O)=O)S(N)(=O)=O Amb24195364 [0,0,0,0,0,0|0,0,0]=0
4  B21R2.18954024  CC(=O)N[C@@H]1C[C@@H](C)S(=O)(=O)c2[s]c(cc21)S(N)(=O)=O Amb22744835 [0,1,0,0,0,0|0,0,1]=2
5  B18R2.488377  CC1C[C@@H](N)c2cc([s]c2S1(=O)=O)S(N)(=O)=O Amb19131431 [2,0,0,0,0,0|0,0,0]=2