0 B4R0.2 CCCCO D03200 [0,0,0,0,0,0|1,0,2]=3 1 B4R0.2 CCOCC D01772 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.2 COCCO D05554 [0,0,0,0,0,0|2,0,2]=4 3 B3R0.1 CCCC D03186 [1,0,0,0,0,0|1,0,1]=3 4 B3R0.1 NCCN D01114 [1,0,0,0,0,0|2,0,1]=4 5 B3R0.1 NCCO D05074 [1,0,0,0,0,0|1,0,2]=4 6 B3R0.1 NCCS D03634 [1,0,0,0,0,0|1,1,1]=4 7 B3R0.1 NCCS D03635 [1,0,0,0,0,0|1,1,1]=4 8 B3R0.1 O=BO[O-] D07066 [1,0,0,0,0,0|2,0,0]=3 9 B3R0.1 OCCO D03370 [1,0,0,0,0,0|1,0,2]=4 10 B3R0.1 OCCO D06418 [1,0,0,0,0,0|1,0,2]=4 11 B3R0.1 OCCO D06419 [1,0,0,0,0,0|1,0,2]=4 12 B3R0.1 OCCO D06420 [1,0,0,0,0,0|1,0,2]=4 13 B3R0.1 OCCO D06421 [1,0,0,0,0,0|1,0,2]=4 14 B3R0.1 OCCO D06422 [1,0,0,0,0,0|1,0,2]=4 15 B3R0.1 OCCO D06423 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 CC(O)CCO D10695 [0,1,0,0,0,0|1,0,2]=4 17 B5R0.1 CC(O)C[197Hg]O D04940 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.1 CCCC(=O)[O-] D08998 [0,1,0,0,0,0|1,0,0]=2 19 B5R0.1 CCOC(C)=O D02319 [0,1,0,0,0,0|0,0,0]=1 20 B5R0.1 NCCC(=O)O D07561 [0,1,0,0,0,0|2,0,0]=3 21 B5R1.2 O=C1CCO1 D05630 [0,0,0,1,0,0|0,0,0]=1 22 B2R0.1 CCC D05625 [2,0,0,0,0,0|0,0,1]=3 23 B2R0.1 CCCl D04088 [2,0,0,0,0,0|1,0,0]=3 24 B2R0.1 CCO D00068 [2,0,0,0,0,0|0,0,0]=2 25 B2R0.1 ClCCl D02330 [2,0,0,0,0,0|2,0,0]=4 26 B2R0.1 O=C=O D00004 [2,0,0,0,0,0|0,0,2]=4 27 B2R0.1 O=N[O-] D05865 [2,0,0,0,0,0|1,0,1]=4 28 B2R0.1 O=S=O D05961 [2,0,0,0,0,0|1,0,1]=4 29 B2R0.1 O=[Si]=O D05839 [2,0,0,0,0,0|0,1,1]=4 30 B2R0.1 O=[Si]=O D06521 [2,0,0,0,0,0|0,1,1]=4 31 B2R0.1 O=[Si]=O D06522 [2,0,0,0,0,0|0,1,1]=4 32 B2R0.1 O=[Ti]=O D01931 [2,0,0,0,0,0|1,0,1]=4 33 B2R0.1 O[Ca]O D01083 [2,0,0,0,0,0|1,0,1]=4 34 B2R0.1 O[Mg]O D00731 [2,0,0,0,0,0|1,0,1]=4 35 B2R0.1 P(=O)O D02334 [2,0,0,0,0,0|1,0,0]=3 36 B2R0.1 [2H]O[2H] D03703 [2,0,0,0,0,0|2,0,0]=4 37 B2R0.1 [N-]=[N+]=O D00102 [2,0,0,0,0,0|2,0,0]=4 38 B4R0.1 C=CC(=O)O D03392 [1,1,0,0,0,0|0,0,2]=4 39 B4R0.1 C=CC(=O)O D03393 [1,1,0,0,0,0|0,0,2]=4 40 B4R0.1 C=CC(=O)O D03394 [1,1,0,0,0,0|0,0,2]=4 41 B4R0.1 C=CC(=O)O D03395 [1,1,0,0,0,0|0,0,2]=4 42 B4R0.1 C=CC(=O)O D03396 [1,1,0,0,0,0|0,0,2]=4 43 B4R0.1 C=CC(=O)O D03397 [1,1,0,0,0,0|0,0,2]=4 44 B4R0.1 CC(=O)NO D00220 [1,1,0,0,0,0|2,0,0]=4 45 B4R0.1 CC(=O)OO D03467 [1,1,0,0,0,0|1,0,0]=3 46 B4R0.1 CC(O)CO D00078 [1,1,0,0,0,0|0,0,2]=4 47 B4R0.1 CCC(=O)O D02310 [1,1,0,0,0,0|0,0,0]=2 48 B4R0.1 CCC(=O)[O-] D05872 [1,1,0,0,0,0|0,0,0]=2 49 B4R0.1 CCC(=O)[O-] D08440 [1,1,0,0,0,0|0,0,0]=2 50 B4R0.1 NC(=O)NO D00341 [1,1,0,0,0,0|2,0,0]=4 51 B4R0.1 NCC(=O)O D00011 [1,1,0,0,0,0|1,0,0]=3 52 B4R0.1 NCC(=O)[O-] D08016 [1,1,0,0,0,0|1,0,0]=3 53 B4R0.1 O=C(O)CCl D07677 [1,1,0,0,0,0|1,0,0]=3 54 B4R0.1 O=S(O)C[O-] D05861 [1,1,0,0,0,0|1,1,0]=4 55 B4R0.1 [*]CC([*])C D05545 [1,1,0,0,0,0|1,0,1]=4 56 B6R0.2 CC(=O)CC(C)C D04989 [0,2,0,0,0,0|1,0,0]=3 57 B6R0.2 CC(C)CC(N)=O D04637 [0,2,0,0,0,0|1,0,0]=3 58 B6R0.2 O=C([O-])O[AlH3](O)O D03827 [0,2,0,0,0,0|2,0,0]=4 59 B6R0.3 N[C@@H](CO)C(=O)O D00016 [0,2,0,0,0,0|2,0,0]=4 60 B6R0.3 N[C@@H](CS)C(=O)O D00026 [0,2,0,0,0,0|2,0,0]=4 61 B6R0.3 N[C@@H](CS)C(=O)O D02326 [0,2,0,0,0,0|2,0,0]=4 62 B6R0.4 NCCCC(=O)O D00058 [0,2,0,0,0,0|1,0,0]=3 63 B6R0.4 O=C([O-])CCCO D05866 [0,2,0,0,0,0|1,0,0]=3 64 B6R0.6 O=CCCCC=O D01120 [0,2,0,0,0,0|1,0,0]=3 65 B4R1.2 CC1CO1 D01941 [1,0,0,1,0,0|0,0,1]=3 66 B4R1.2 CC1CO1 D09803 [1,0,0,1,0,0|0,0,1]=3 67 B4R1.2 CC1CO1 D10680 [1,0,0,1,0,0|0,0,1]=3