0 B2R0.1 CCN T72544 [0,0,0,0,0,0|2,0,1]=3 1 B2R0.1 CNC 44403 [0,0,0,0,0,0|2,0,1]=3 2 B2R0.1 CON F16476 [0,0,0,0,0,0|2,0,1]=3 3 B2R0.1 N#[13C][K] AT25919 [0,0,0,0,0,0|2,0,0]=2 4 B2R0.1 O=[15N][O-] 41396 [0,0,0,0,0,0|1,0,1]=2 5 B1R0.1 [N-]=O T72000 [1,0,0,0,0,0|0,0,2]=3 6 B3R0.1 CC#CI T72724 [0,1,0,0,0,0|3,0,0]=4 7 B3R0.1 CCCN T71779 [0,1,0,0,0,0|2,0,1]=4 8 B3R0.1 NCCI AC7986 [0,1,0,0,0,0|2,0,1]=4 9 B3R0.1 [2H]CCBr D98237 [0,1,0,0,0,0|3,0,0]=4 10 B3R0.1 [2H]OC=O D99054 [0,1,0,0,0,0|2,0,1]=4 11 B3R0.1 [2H]OCC D99756 [0,1,0,0,0,0|2,0,1]=4 12 B3R0.2 CC(=N)N T70291 [0,1,0,0,0,0|2,0,1]=4 13 B3R0.2 CC(=O)O 41449 [0,1,0,0,0,0|2,0,1]=4 14 B3R0.2 CC(=O)[O-] D76174 [0,1,0,0,0,0|2,0,0]=3 15 B3R0.2 CC(=O)[O-] F20820 [0,1,0,0,0,0|2,0,0]=3 16 B3R0.2 CC(=O)[O-] T72577 [0,1,0,0,0,0|2,0,0]=3 17 B3R0.2 CC(C)N T72805 [0,1,0,0,0,0|2,0,1]=4 18 B3R0.2 CC([15NH2])=O 41452 [0,1,0,0,0,0|1,0,2]=4 19 B3R0.2 C[13C](=O)[O-] D99050 [0,1,0,0,0,0|2,0,0]=3 20 B3R0.2 C[S@@](N)=O A10759 [0,1,0,0,0,0|1,0,2]=4 21 B3R0.2 IB(I)I AT18325 [0,1,0,0,0,0|3,0,0]=4 22 B3R0.2 N=C(N)N T72005 [0,1,0,0,0,0|2,0,1]=4 23 B3R0.2 N[13C](N)=O 41441 [0,1,0,0,0,0|1,0,2]=4 24 B3R0.2 O=C([O-])[O-] H11985 [0,1,0,0,0,0|2,0,0]=3 25 B3R0.2 O=[15N+]([O-])[O-] 41462 [0,1,0,0,0,0|1,0,1]=3 26 B3R0.2 O=[15N+]([O-])[O-] 41468 [0,1,0,0,0,0|1,0,1]=3 27 B3R0.2 [2H]C(=O)O T73068 [0,1,0,0,0,0|2,0,1]=4 28 B3R0.2 [2H]C(=O)[O-] D97993 [0,1,0,0,0,0|2,0,0]=3 29 B3R0.2 [2H]C(N)=O D97871 [0,1,0,0,0,0|1,0,2]=4 30 B3R0.2 [2H]N(C)C D98629 [0,1,0,0,0,0|2,0,1]=4 31 B3R0.2 [2H][C@@H](C)I D98644 [0,1,0,0,0,0|3,0,0]=4 32 B0R0.1 Cl 41412 [2,0,0,0,0,0|0,0,0]=2 33 B0R0.1 Cl A12355 [2,0,0,0,0,0|0,0,0]=2 34 B0R0.1 O 41417 [2,0,0,0,0,0|0,0,0]=2 35 B0R0.1 [Br-] T71520 [2,0,0,0,0,0|0,0,0]=2 36 B0R0.1 [Br-] T71728 [2,0,0,0,0,0|0,0,0]=2 37 B0R0.1 [Co+3] H11937 [2,0,0,0,0,0|0,0,0]=2 38 B0R0.1 [Lu] A12812 [2,0,0,0,0,0|0,0,0]=2 39 B0R0.1 [O-2] A11433 [2,0,0,0,0,0|0,0,0]=2 40 B0R0.1 [O-2] AC3187 [2,0,0,0,0,0|0,0,0]=2 41 B4R0.1 C=C(Br)C#N F17475 [0,2,0,0,0,0|2,0,0]=4 42 B4R0.1 C=C[N+](=O)[O-] AT20025 [0,2,0,0,0,0|1,0,1]=4 43 B4R0.1 C[C@H](O)C#N 12324 [0,2,0,0,0,0|1,0,1]=4 44 B4R0.1 [2H]C(=C)C#N D97999 [0,2,0,0,0,0|2,0,0]=4 45 B4R0.3 CS(=O)(=O)[O-] A51091 [0,2,0,0,0,0|2,0,0]=4 46 B4R0.3 O=S(=O)([O-])[O-] D98233 [0,2,0,0,0,0|2,0,0]=4 47 B4R0.3 O=[Re](=O)(=O)[O-] T71552 [0,2,0,0,0,0|2,0,0]=4