0  B16R2.127499  C[C@@H]1CCC[NH+]2[C@]1(C[C@@H](CC2)C(=C)C)C JF2 [1,0,0,0,0,0|1,0,2]=4
1  B16R2.127499  C[C@H]1CCCC2=CC[C@@H](C[C@]12C)C(=C)C ION [1,0,0,0,0,0|0,0,3]=4
2  B16R2.127499  C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C JF1 [1,0,0,0,0,0|1,0,2]=4