0 B2R0.1 CC=O YMDB00022 [0,0,0,0,0,0|2,0,0]=2 1 B2R0.1 CCO YMDB00883 [0,0,0,0,0,0|2,0,0]=2 2 B2R0.1 CCS YMDB01683 [0,0,0,0,0,0|2,1,0]=3 3 B2R0.1 CSC YMDB01674 [0,0,0,0,0,0|3,0,0]=3 4 B2R0.1 N#C[S-] YMDB00391 [0,0,0,0,0,0|2,1,0]=3 5 B2R0.1 O=C=O YMDB00912 [0,0,0,0,0,0|1,0,1]=2 6 B2R0.1 O=CO YMDB00385 [0,0,0,0,0,0|1,0,0]=1 7 B2R0.1 O=N[O-] YMDB00135 [0,0,0,0,0,0|0,0,1]=1 8 B2R0.1 O=S=O YMDB01785 [0,0,0,0,0,0|1,0,1]=2 9 B1R0.1 C=O YMDB00321 [1,0,0,0,0,0|1,0,0]=2 10 B1R0.1 CS YMDB00062 [1,0,0,0,0,0|1,1,0]=3 11 B1R0.1 O=O YMDB00900 [1,0,0,0,0,0|0,0,1]=2 12 B1R0.1 OO YMDB00888 [1,0,0,0,0,0|0,0,1]=2 13 B1R0.1 [C-]#N YMDB00074 [1,0,0,0,0,0|1,0,1]=3 14 B1R0.1 [N]=O YMDB00982 [1,0,0,0,0,0|0,0,1]=2 15 B1R0.1 [O][O-] YMDB00372 [1,0,0,0,0,0|0,0,2]=3 16 B3R0.1 C#CCO YMDB01377 [0,1,0,0,0,0|2,0,0]=3 17 B3R0.1 C=CC=O YMDB00812 [0,1,0,0,0,0|2,0,0]=3 18 B3R0.1 CCC=O YMDB00911 [0,1,0,0,0,0|2,0,0]=3 19 B3R0.1 CCCO YMDB01395 [0,1,0,0,0,0|2,0,0]=3 20 B3R0.1 NCC=O YMDB00771 [0,1,0,0,0,0|2,0,0]=3 21 B3R0.1 NCCO YMDB00009 [0,1,0,0,0,0|2,0,0]=3 22 B3R0.1 O=CCO YMDB00343 [0,1,0,0,0,0|1,0,0]=2 23 B3R0.1 OCCO YMDB01564 [0,1,0,0,0,0|1,0,1]=3 24 B3R0.2 CC(=O)O YMDB00056 [0,1,0,0,0,0|1,0,0]=2 25 B3R0.2 CC(C)O YMDB01718 [0,1,0,0,0,0|2,0,0]=3 26 B3R0.2 CC(N)=O YMDB01563 [0,1,0,0,0,0|2,0,0]=3 27 B3R0.2 NC(N)=O YMDB00003 [0,1,0,0,0,0|2,0,0]=3 28 B3R0.2 O=C(O)O YMDB00382 [0,1,0,0,0,0|1,0,0]=2 29 B3R0.2 O=S([O-])[O-] YMDB00114 [0,1,0,0,0,0|1,0,1]=3 30 B3R0.2 O=[N+]([O-])[O-] YMDB00981 [0,1,0,0,0,0|0,0,2]=3 31 B0R0.1 N YMDB00091 [2,0,0,0,0,0|0,0,0]=2 32 B0R0.1 O YMDB00890 [2,0,0,0,0,0|0,0,0]=2 33 B0R0.1 P YMDB01523 [2,0,0,0,0,0|0,0,0]=2 34 B0R0.1 S YMDB00653 [2,0,0,0,0,0|0,0,0]=2 35 B0R0.1 [Ca+2] YMDB00358 [2,0,0,0,0,0|0,0,0]=2 36 B0R0.1 [Cl-] YMDB01491 [2,0,0,0,0,0|0,0,0]=2 37 B0R0.1 [Cl-] YMDB01517 [2,0,0,0,0,0|0,0,0]=2 38 B0R0.1 [Cu+2] YMDB00207 [2,0,0,0,0,0|0,0,0]=2 39 B0R0.1 [F-] YMDB01518 [2,0,0,0,0,0|0,0,0]=2 40 B0R0.1 [Fe+2] YMDB00379 [2,0,0,0,0,0|0,0,0]=2 41 B0R0.1 [Fe+3] YMDB00194 [2,0,0,0,0,0|0,0,0]=2 42 B0R0.1 [H+] YMDB00862 [2,0,0,0,0,0|0,0,0]=2 43 B0R0.1 [KH] YMDB00782 [2,0,0,0,0,0|0,0,0]=2 44 B0R0.1 [Mg+2] YMDB01520 [2,0,0,0,0,0|0,0,0]=2 45 B0R0.1 [Mn+2] YMDB01521 [2,0,0,0,0,0|0,0,0]=2 46 B0R0.1 [NH4+] YMDB00423 [2,0,0,0,0,0|0,0,0]=2 47 B0R0.1 [Na+] YMDB00020 [2,0,0,0,0,0|0,0,0]=2 48 B0R0.1 [OH-] YMDB00908 [2,0,0,0,0,0|0,0,0]=2 49 B0R0.1 [S-2] YMDB00121 [2,0,0,0,0,0|0,0,0]=2 50 B0R0.1 [Se-2] YMDB01524 [2,0,0,0,0,0|0,0,0]=2 51 B0R0.1 [Zn+2] YMDB01527 [2,0,0,0,0,0|0,0,0]=2 52 B4R0.1 CC(=O)C=O YMDB00170 [0,2,0,0,0,0|1,0,1]=4 53 B4R0.1 CC(=O)CN YMDB00892 [0,2,0,0,0,0|2,0,0]=4 54 B4R0.1 CC(C)C=O YMDB00482 [0,2,0,0,0,0|2,0,0]=4 55 B4R0.1 CC(C)CO YMDB00573 [0,2,0,0,0,0|2,0,0]=4 56 B4R0.1 CC(O)CO YMDB01405 [0,2,0,0,0,0|1,0,1]=4 57 B4R0.1 CCC(=O)O YMDB00857 [0,2,0,0,0,0|1,0,0]=3 58 B4R0.1 CN(C)C=O YMDB01396 [0,2,0,0,0,0|1,0,1]=4 59 B4R0.1 C[C@@H](O)C=O YMDB00111 [0,2,0,0,0,0|1,0,0]=3 60 B4R0.1 C[C@H](O)C=O YMDB00167 [0,2,0,0,0,0|1,0,0]=3 61 B4R0.1 NCC(=O)O YMDB00016 [0,2,0,0,0,0|1,0,0]=3 62 B4R0.1 O=C(O)CO YMDB00807 [0,2,0,0,0,0|1,0,0]=3 63 B4R0.1 O=CC(=O)O YMDB00033 [0,2,0,0,0,0|1,0,0]=3 64 B4R0.2 C=COCC YMDB01335 [0,2,0,0,0,0|2,0,0]=4 65 B4R0.2 CCCCO YMDB01386 [0,2,0,0,0,0|2,0,0]=4 66 B4R0.2 CCOC=O YMDB01684 [0,2,0,0,0,0|1,0,0]=3 67 B4R0.2 CSCCO YMDB01590 [0,2,0,0,0,0|1,1,0]=4 68 B4R0.2 NCCC=O YMDB00048 [0,2,0,0,0,0|2,0,0]=4 69 B4R0.2 OCCCO YMDB02312 [0,2,0,0,0,0|1,0,1]=4 70 B4R0.3 O=P([O-])([O-])O YMDB01490 [0,2,0,0,0,0|0,1,0]=3 71 B4R0.3 O=P([O-])([O-])[O-] YMDB00907 [0,2,0,0,0,0|0,1,1]=4 72 B4R0.3 O=S(=O)([O-])[O-] YMDB00005 [0,2,0,0,0,0|1,0,1]=4 73 B4R0.3 O=S(=O)([O-])[S-] YMDB00303 [0,2,0,0,0,0|1,0,1]=4