0 B31R3.7441817147 CON=C(c1ccco1)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O TS69949 [0,0,0,0,0,0|0,0,0]=0 1 B31R3.7441817147 CON=C(c1ccco1)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)[O-] TS70448 [0,0,0,0,0,0|0,0,1]=1