0 B3R0.2 CC(N)=S T35367 [0,0,0,0,0,0|1,1,0]=2 1 B3R0.2 CC([O-])=O T23377 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.2 CC([O-])=O T35375 [0,0,0,0,0,0|2,0,0]=2 3 B3R0.2 CC([O-])=O T8129 [0,0,0,0,0,0|2,0,0]=2 4 B3R0.2 CC([O-])C T19372 [0,0,0,0,0,0|2,0,2]=4 5 B3R0.2 CC([S-])=O T22402 [0,0,0,0,0,0|2,0,0]=2 6 B3R0.2 CN(C)C T4827 [0,0,0,0,0,0|4,0,0]=4 7 B3R0.2 Cl[Gd](Cl)Cl T22795 [0,0,0,0,0,0|4,0,0]=4 8 B3R0.2 Cl[La](Cl)Cl T22353 [0,0,0,0,0,0|4,0,0]=4 9 B3R0.2 Cl[La](Cl)Cl T9524 [0,0,0,0,0,0|4,0,0]=4 10 B3R0.2 NC(N)=N T0415 [0,0,0,0,0,0|1,0,0]=1 11 B3R0.2 NC(N)=O T0738 [0,0,0,0,0,0|0,0,0]=0 12 B3R0.2 NC(N)=O T20188 [0,0,0,0,0,0|0,0,0]=0 13 B3R0.2 O[Al](O)O T13545 [0,0,0,0,0,0|3,0,1]=4 14 B3R0.2 [O-][SiH]([O-])=O T19904 [0,0,0,0,0,0|2,1,0]=3 15 B2R0.1 CNC T5309 [1,0,0,0,0,0|3,0,0]=4 16 B2R0.1 CON T21320 [1,0,0,0,0,0|2,0,0]=3 17 B2R0.1 Cl[Pt]Cl T1564 [1,0,0,0,0,0|3,0,0]=4 18 B2R0.1 NC=O T4767 [1,0,0,0,0,0|0,0,0]=1 19 B2R0.1 O=[Si]=O T1397 [1,0,0,0,0,0|1,1,0]=3 20 B2R0.1 O=[Si]=O T34642 [1,0,0,0,0,0|1,1,0]=3 21 B2R0.1 S=[Mo]=S T19986 [1,0,0,0,0,0|2,1,0]=4 22 B2R0.1 [O-]C=O T5300 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.1 CC(=O)C=O T19536 [0,1,0,0,0,0|2,0,0]=3 24 B4R0.1 CC(=O)NO T1592 [0,1,0,0,0,0|1,0,0]=2 25 B4R0.1 CC(N)C=O T29820 [0,1,0,0,0,0|1,0,1]=3 26 B4R0.1 CC(N)CO T27792 [0,1,0,0,0,0|1,0,2]=4 27 B4R0.1 CNC(N)=N T4904 [0,1,0,0,0,0|1,0,0]=2 28 B4R0.1 CNC([S-])=S T20178 [0,1,0,0,0,0|1,1,0]=3 29 B4R0.1 COC(C)=N T24458 [0,1,0,0,0,0|1,0,2]=4 30 B4R0.1 COC(N)=O T2151 [0,1,0,0,0,0|1,0,0]=2 31 B4R0.1 CSC(N)=N T22419 [0,1,0,0,0,0|0,1,1]=3 32 B4R0.1 N(C(N)=N)C T21215 [0,1,0,0,0,0|1,0,0]=2 33 B4R0.1 NC(=O)CI T8897 [0,1,0,0,0,0|1,0,0]=2 34 B4R0.1 NC(=O)NO T0676 [0,1,0,0,0,0|0,0,0]=1 35 B4R0.1 NCC(N)=O T3127 [0,1,0,0,0,0|0,0,0]=1 36 B4R0.1 NCC(O)=O T2O2728 [0,1,0,0,0,0|1,0,0]=2 37 B4R0.1 NCC([O-])=O T4505 [0,1,0,0,0,0|1,0,0]=2 38 B4R0.1 NCC([O-])=O T4512 [0,1,0,0,0,0|1,0,0]=2 39 B4R0.1 NNC(N)=N T0358 [0,1,0,0,0,0|1,0,0]=2 40 B4R0.1 NNC(N)=N T34066 [0,1,0,0,0,0|1,0,0]=2 41 B4R0.1 NNC(N)=O T1732 [0,1,0,0,0,0|0,0,0]=1 42 B4R0.1 OC(=O)C=O T16356 [0,1,0,0,0,0|2,0,0]=3 43 B4R0.1 OC(=O)C=O T4843 [0,1,0,0,0,0|2,0,0]=3 44 B4R0.1 OCC(O)=O T5985 [0,1,0,0,0,0|2,0,0]=3 45 B4R0.1 [O-]C(=O)CS T8530 [0,1,0,0,0,0|2,0,0]=3 46 B4R0.1 [O-]CC([O-])=O T2410 [0,1,0,0,0,0|2,0,0]=3 47 B4R0.3 CS(C)(=O)=O TN6752 [0,1,0,0,0,0|3,0,0]=4 48 B4R0.3 C[As](O)(O)=O T33347 [0,1,0,0,0,0|3,0,0]=4 49 B4R0.3 C[As](O)([O-])=O T19915 [0,1,0,0,0,0|3,0,0]=4 50 B4R0.3 NS(N)(=O)=O T35357 [0,1,0,0,0,0|1,0,0]=2 51 B4R0.3 OP(O)([O-])=O T23175 [0,1,0,0,0,0|3,0,0]=4 52 B4R0.3 OP(O)([O-])=O T23378 [0,1,0,0,0,0|3,0,0]=4 53 B4R0.3 OP([O-])([O-])=O T30694 [0,1,0,0,0,0|3,0,0]=4 54 B4R0.3 [O-]S([O-])(=O)=O T19608 [0,1,0,0,0,0|3,0,0]=4 55 B4R0.3 [O-]S([O-])(=O)=O T20627 [0,1,0,0,0,0|3,0,0]=4 56 B4R0.3 [O-]S([O-])(=O)=O T29885 [0,1,0,0,0,0|3,0,0]=4 57 B1R0.1 NO T11587 [2,0,0,0,0,0|0,0,1]=3 58 B1R0.1 NO T8894 [2,0,0,0,0,0|0,0,1]=3 59 B3R0.1 NCCO T22327 [1,1,0,0,0,0|0,0,2]=4 60 B3R0.1 NCCS T1080 [1,1,0,0,0,0|0,1,1]=4 61 B3R0.1 NCCS T6460 [1,1,0,0,0,0|0,1,1]=4 62 B5R0.1 C/C=C/C(O)=O T5301 [0,2,0,0,0,0|2,0,0]=4 63 B5R0.1 CCCC([O-])=O T1393 [0,2,0,0,0,0|2,0,0]=4 64 B5R0.1 CCOC(N)=O T0051 [0,2,0,0,0,0|1,0,0]=3 65 B5R0.1 CCSC(N)=N T22761 [0,2,0,0,0,0|0,1,1]=4 66 B5R0.1 CNCC(O)=O T6975 [0,2,0,0,0,0|1,0,0]=3 67 B5R0.1 NC(=O)CC#N T20453 [0,2,0,0,0,0|0,0,1]=3 68 B5R0.1 NC(N)=NC#N T20390 [0,2,0,0,0,0|1,0,0]=3 69 B5R0.1 NCCC(O)=O T0627 [0,2,0,0,0,0|1,0,0]=3 70 B5R0.1 NCCP(O)=O TN2749 [0,2,0,0,0,0|2,0,0]=4 71 B5R0.1 NCCS(O)=O T5225 [0,2,0,0,0,0|2,0,0]=4 72 B5R0.1 NOCC(O)=O T29033 [0,2,0,0,0,0|1,0,0]=3 73 B5R0.1 NOCC(O)=O T5880 [0,2,0,0,0,0|1,0,0]=3 74 B5R0.1 [O-]C(=O)/C=C\Cl T29626 [0,2,0,0,0,0|2,0,0]=4 75 B5R0.3 C=CC(=O)C=C T31538 [0,2,0,0,0,0|2,0,0]=4 76 B5R0.3 CNC(=S)NC T40615 [0,2,0,0,0,0|0,1,0]=3 77 B5R0.3 [Na]OC(=O)O[Na] T22426 [0,2,0,0,0,0|2,0,0]=4 78 B5R0.5 CC(=C)C(N)=O TN7113 [0,2,0,0,0,0|1,0,0]=3 79 B5R0.5 CC(=O)C(O)=O T4804 [0,2,0,0,0,0|2,0,0]=4 80 B5R0.5 CC(=O)C([O-])=O T7717 [0,2,0,0,0,0|2,0,0]=4 81 B5R0.5 CC(O)C(O)=O TN6945 [0,2,0,0,0,0|2,0,0]=4 82 B5R0.5 CC(O)C([O-])=O T20574 [0,2,0,0,0,0|2,0,0]=4 83 B5R0.5 CC(O)C([O-])=O T32809 [0,2,0,0,0,0|2,0,0]=4 84 B5R0.5 CC(O)C([O-])=O T5220 [0,2,0,0,0,0|2,0,0]=4 85 B5R0.5 CN(C)C(C)=O T19439 [0,2,0,0,0,0|1,0,0]=3 86 B5R0.5 C[C@@H](N)C(O)=O T4811 [0,2,0,0,0,0|1,0,0]=3 87 B5R0.5 C[C@@H](O)C(O)=O T10943 [0,2,0,0,0,0|2,0,0]=4 88 B5R0.5 C[C@H](N)C(O)=O TJO2729 [0,2,0,0,0,0|1,0,0]=3 89 B5R0.5 C[C@H](N)C(O)=O TN1003 [0,2,0,0,0,0|1,0,0]=3 90 B5R0.5 C[C@H](O)C(O)=O T4845 [0,2,0,0,0,0|2,0,0]=4 91 B5R0.5 C[C@H](O)C([O-])=O T4103 [0,2,0,0,0,0|2,0,0]=4 92 B5R0.5 NC(=O)C([O-])=O T19831 [0,2,0,0,0,0|1,0,0]=3 93 B5R0.5 O=C(O)[C@H](C)N T34103 [0,2,0,0,0,0|1,0,0]=3 94 B5R0.5 OC(=O)C(Cl)Br T9288 [0,2,0,0,0,0|2,0,0]=4 95 B5R0.5 OC(=O)C(O)=O T2O2680 [0,2,0,0,0,0|2,0,0]=4 96 B5R0.5 OC(=O)C(O)=O T5064 [0,2,0,0,0,0|2,0,0]=4 97 B5R0.5 [O-]C(=O)C(Cl)Cl T3604 [0,2,0,0,0,0|2,0,0]=4