0 B2R0.1 CCN T72544 [0,0,0,0,0,0|3,0,0]=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|3,0,0]=3 3 B2R0.1 N#[13C][K] AT25919 [0,0,0,0,0,0|3,0,0]=3 4 B2R0.1 O=[15N][O-] 41396 [0,0,0,0,0,0|0,0,1]=1 5 B1R0.1 [N-]=O T72000 [1,0,0,0,0,0|0,0,1]=2 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|3,0,0]=4 8 B3R0.1 NCCI AC7986 [0,1,0,0,0,0|3,0,0]=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|1,0,0]=2 11 B3R0.1 [2H]OCC D99756 [0,1,0,0,0,0|2,0,0]=3 12 B3R0.2 CC(=N)N T70291 [0,1,0,0,0,0|3,0,0]=4 13 B3R0.2 CC(=O)O 41449 [0,1,0,0,0,0|1,0,0]=2 14 B3R0.2 CC(=O)[O-] D76174 [0,1,0,0,0,0|1,0,1]=3 15 B3R0.2 CC(=O)[O-] F20820 [0,1,0,0,0,0|1,0,1]=3 16 B3R0.2 CC(=O)[O-] T72577 [0,1,0,0,0,0|1,0,1]=3 17 B3R0.2 CC(C)N T72805 [0,1,0,0,0,0|3,0,0]=4 18 B3R0.2 CC([15NH2])=O 41452 [0,1,0,0,0,0|2,0,0]=3 19 B3R0.2 C[13C](=O)[O-] D99050 [0,1,0,0,0,0|1,0,1]=3 20 B3R0.2 C[S@@](N)=O A10759 [0,1,0,0,0,0|2,0,0]=3 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|3,0,0]=4 23 B3R0.2 N[13C](N)=O 41441 [0,1,0,0,0,0|2,0,0]=3 24 B3R0.2 O=C([O-])[O-] H11985 [0,1,0,0,0,0|1,0,1]=3 25 B3R0.2 O=[15N+]([O-])[O-] 41462 [0,1,0,0,0,0|0,0,2]=3 26 B3R0.2 O=[15N+]([O-])[O-] 41468 [0,1,0,0,0,0|0,0,2]=3 27 B3R0.2 [2H]C(=O)O T73068 [0,1,0,0,0,0|1,0,0]=2 28 B3R0.2 [2H]C(=O)[O-] D97993 [0,1,0,0,0,0|1,0,1]=3 29 B3R0.2 [2H]C(N)=O D97871 [0,1,0,0,0,0|2,0,0]=3 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=O AT26024 [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|0,0,2]=4 43 B4R0.1 CC(=O)CN D87844 [0,2,0,0,0,0|2,0,0]=4 44 B4R0.1 CC[13C](=O)O D99417 [0,2,0,0,0,0|1,0,0]=3 45 B4R0.1 C[C@H](O)C#N 12324 [0,2,0,0,0,0|2,0,0]=4 46 B4R0.1 C[C@H](S)CO AC8877 [0,2,0,0,0,0|1,1,0]=4 47 B4R0.1 NCC(N)=O FD21645 [0,2,0,0,0,0|2,0,0]=4 48 B4R0.1 [15NH2]CC(=O)O 41444 [0,2,0,0,0,0|1,0,0]=3 49 B4R0.1 [2H]C(=O)NC D99232 [0,2,0,0,0,0|1,0,1]=4 50 B4R0.1 [2H]C(=O)OC D99666 [0,2,0,0,0,0|1,0,0]=3 51 B4R0.1 [2H]N([2H])C=O D99055 [0,2,0,0,0,0|1,0,1]=4 52 B4R0.1 [2H]OC(C)C D98571 [0,2,0,0,0,0|2,0,0]=4 53 B4R0.1 [2H]ON([2H])[2H] D97869 [0,2,0,0,0,0|1,0,1]=4 54 B4R0.2 COCCS AT13674 [0,2,0,0,0,0|1,1,0]=4 55 B4R0.2 NCCNO AT14839 [0,2,0,0,0,0|1,0,1]=4 56 B4R0.2 O=C\C=N/O F18478 [0,2,0,0,0,0|0,0,0]=2 57 B4R0.2 O=C\C=N\O F18186 [0,2,0,0,0,0|0,0,0]=2 58 B4R0.2 O=[Ce]O[Ce]=O F20751 [0,2,0,0,0,0|1,0,0]=3 59 B4R0.2 [2H]OCCC D99167 [0,2,0,0,0,0|2,0,0]=4 60 B4R0.3 CP(C)(=O)Cl AT21855 [0,2,0,0,0,0|1,1,0]=4 61 B4R0.3 CS(=O)(=O)[O-] A51091 [0,2,0,0,0,0|1,0,1]=4 62 B4R0.3 C[Si](O)(O)O F20752 [0,2,0,0,0,0|1,0,1]=4 63 B4R0.3 O=S(=O)(O)O 41448 [0,2,0,0,0,0|1,0,0]=3 64 B4R0.3 O=S(=O)([O-])[O-] D98233 [0,2,0,0,0,0|1,0,1]=4 65 B4R0.3 O=[Re](=O)(=O)[O-] T71552 [0,2,0,0,0,0|1,0,1]=4 66 B4R0.3 [2H]C([2H])(C)O D97863 [0,2,0,0,0,0|2,0,0]=4