0 B3R0.2 CC(=N)N T70291 [0,0,0,0,0,0|3,0,1]=4 1 B3R0.2 CC(=O)O 41449 [0,0,0,0,0,0|3,0,1]=4 2 B3R0.2 CC(=O)[O-] D76174 [0,0,0,0,0,0|3,0,1]=4 3 B3R0.2 CC(=O)[O-] F20820 [0,0,0,0,0,0|3,0,1]=4 4 B3R0.2 CC(=O)[O-] T72577 [0,0,0,0,0,0|3,0,1]=4 5 B3R0.2 CC(C)N T72805 [0,0,0,0,0,0|3,0,0]=3 6 B3R0.2 CC([15NH2])=O 41452 [0,0,0,0,0,0|3,0,1]=4 7 B3R0.2 C[13C](=O)[O-] D99050 [0,0,0,0,0,0|3,0,1]=4 8 B3R0.2 C[S@@](N)=O A10759 [0,0,0,0,0,0|4,0,0]=4 9 B3R0.2 IB(I)I AT18325 [0,0,0,0,0,0|1,3,0]=4 10 B3R0.2 N=C(N)N T72005 [0,0,0,0,0,0|3,0,1]=4 11 B3R0.2 N[13C](N)=O 41441 [0,0,0,0,0,0|3,0,1]=4 12 B3R0.2 O=C([O-])[O-] H11985 [0,0,0,0,0,0|3,0,1]=4 13 B3R0.2 O=[15N+]([O-])[O-] 41462 [0,0,0,0,0,0|4,0,0]=4 14 B3R0.2 O=[15N+]([O-])[O-] 41468 [0,0,0,0,0,0|4,0,0]=4 15 B3R0.2 [2H]C(=O)O T73068 [0,0,0,0,0,0|3,0,1]=4 16 B3R0.2 [2H]C(=O)[O-] D97993 [0,0,0,0,0,0|3,0,1]=4 17 B3R0.2 [2H]C(N)=O D97871 [0,0,0,0,0,0|3,0,1]=4 18 B3R0.2 [2H]N(C)C D98629 [0,0,0,0,0,0|4,0,0]=4 19 B3R0.2 [2H][C@@H](C)I D98644 [0,0,0,0,0,0|2,1,0]=3 20 B2R0.1 CCN T72544 [1,0,0,0,0,0|2,0,0]=3 21 B2R0.1 CNC 44403 [1,0,0,0,0,0|3,0,0]=4 22 B2R0.1 CON F16476 [1,0,0,0,0,0|3,0,0]=4 23 B2R0.1 N#[13C][K] AT25919 [1,0,0,0,0,0|2,0,1]=4 24 B2R0.1 O=[15N][O-] 41396 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 C=C(Cl)CI AT26028 [0,1,0,0,0,0|1,1,1]=4 26 B4R0.1 CC(C)CN T72053 [0,1,0,0,0,0|3,0,0]=4 27 B4R0.1 CC[C@H](C)N 90231 [0,1,0,0,0,0|3,0,0]=4 28 B4R0.1 CC[C@H](C)N N12286 [0,1,0,0,0,0|3,0,0]=4 29 B4R0.1 CC[C@H](C)N N12342 [0,1,0,0,0,0|3,0,0]=4 30 B4R0.1 C[C@H](O)C#N 12324 [0,1,0,0,0,0|3,0,0]=4 31 B4R0.1 C[C@H](S)CO AC8877 [0,1,0,0,0,0|3,0,0]=4 32 B4R0.1 C[C@H](S)CS T72965 [0,1,0,0,0,0|3,0,0]=4 33 B4R0.1 [2H]OC(C)C D98571 [0,1,0,0,0,0|3,0,0]=4 34 B4R0.1 [2H][C@H](Br)CC D99041 [0,1,0,0,0,0|2,1,0]=4 35 B4R0.3 CP(C)(=O)Cl AT21855 [0,1,0,0,0,0|3,0,0]=4 36 B4R0.3 CP(C)(=S)Cl T71511 [0,1,0,0,0,0|3,0,0]=4 37 B4R0.3 C[Ge](C)(C)Cl T71831 [0,1,0,0,0,0|2,1,0]=4 38 B4R0.3 FC(F)(F)[S-] D89362 [0,1,0,0,0,0|0,3,0]=4 39 B4R0.3 [2H]C(Br)(Br)Br D98102 [0,1,0,0,0,0|0,3,0]=4 40 B4R0.3 [2H]C(C)(C)Br D99067 [0,1,0,0,0,0|2,1,0]=4 41 B4R0.3 [2H]C(C)(C)Cl D98394 [0,1,0,0,0,0|2,0,0]=3 42 B4R0.3 [2H]C(C)(C)I D98839 [0,1,0,0,0,0|2,1,0]=4 43 B4R0.3 [2H]C([2H])(Br)Br D99423 [0,1,0,0,0,0|1,2,0]=4 44 B4R0.3 [2H]C([2H])(C)Br D99303 [0,1,0,0,0,0|2,1,0]=4 45 B4R0.3 [2H]C([2H])(C)Cl D98462 [0,1,0,0,0,0|2,0,0]=3 46 B4R0.3 [2H]C([2H])(C)I D99166 [0,1,0,0,0,0|2,1,0]=4 47 B4R0.3 [2H]C([2H])(C)O D97863 [0,1,0,0,0,0|3,0,0]=4 48 B4R0.3 [2H]C([2H])(Cl)I D99096 [0,1,0,0,0,0|1,1,0]=3 49 B4R0.3 [2H]C([2H])(I)I D98109 [0,1,0,0,0,0|1,2,0]=4 50 B1R0.1 [N-]=O T72000 [2,0,0,0,0,0|2,0,0]=4 51 B3R0.1 CCCN T71779 [1,1,0,0,0,0|2,0,0]=4 52 B3R0.1 NCCI AC7986 [1,1,0,0,0,0|1,1,0]=4 53 B3R0.1 [2H]CCBr D98237 [1,1,0,0,0,0|1,1,0]=4 54 B3R0.1 [2H]OCC D99756 [1,1,0,0,0,0|2,0,0]=4 55 B5R0.4 [2H]C([2H])([2H])CCl D99679 [0,2,0,0,0,0|2,0,0]=4 56 B5R0.5 C[C@H](Cl)C(=O)Cl AT22451 [0,2,0,0,0,0|1,0,0]=3 57 B5R0.5 [2H]C(Cl)=C(Cl)Cl D98140 [0,2,0,0,0,0|0,0,1]=3 58 B5R0.5 [2H]C([2H])=C(Cl)Cl D99198 [0,2,0,0,0,0|1,0,1]=4 59 B5R0.5 [2H]\C(Cl)=C(\[2H])Cl D97899 [0,2,0,0,0,0|1,0,1]=4