0 B3R0.2 C(=N)(N)N S4070 [0,0,0,0,0,0|1,0,0]=1 1 B3R0.2 C(=N)(N)N S4070 [0,0,0,0,0,0|1,0,0]=1 2 B3R0.2 C(=O)(N)N S3687 [0,0,0,0,0,0|0,0,2]=2 3 B3R0.2 C(=O)([O-])[O-] S4828 [0,0,0,0,0,0|2,0,1]=3 4 B3R0.2 C(=O)([O-])[O-] S4933 [0,0,0,0,0,0|2,0,1]=3 5 B3R0.2 C(=O)([O-])[O-] S4933 [0,0,0,0,0,0|2,0,1]=3 6 B3R0.2 CC(=O)N S6011 [0,0,0,0,0,0|1,0,1]=2 7 B3R0.2 CC(=O)[O-] S4843 [0,0,0,0,0,0|2,0,1]=3 8 B3R0.2 CC(=S)[O-] S6020 [0,0,0,0,0,0|2,0,1]=3 9 B3R0.2 Cl[La](Cl)Cl S5514 [0,0,0,0,0,0|4,0,0]=4 10 B3R0.2 O[Al](O)O S4826 [0,0,0,0,0,0|3,0,0]=3 11 B2R0.1 C(#N)[S-] S6281 [1,0,0,0,0,0|0,1,2]=4 12 B2R0.1 C(=O)[O-] S6262 [1,0,0,0,0,0|1,0,1]=3 13 B2R0.1 CNC S6197 [1,0,0,0,0,0|3,0,0]=4 14 B2R0.1 Cl[Pt+2]Cl S1166 [1,0,0,0,0,0|3,0,0]=4 15 B2R0.1 Cl[Pt+2]Cl S1166 [1,0,0,0,0,0|3,0,0]=4 16 B2R0.1 Cl[Pt+2]Cl S1166 [1,0,0,0,0,0|3,0,0]=4 17 B2R0.1 O=[Si]=O S1900 [1,0,0,0,0,0|1,1,1]=4 18 B4R0.1 C#CC(=O)O S6108 [0,1,0,0,0,0|2,0,0]=3 19 B4R0.1 C(=NN)(N)N S4548 [0,1,0,0,0,0|1,0,0]=2 20 B4R0.1 C(=NN)(N)N S4548 [0,1,0,0,0,0|1,0,0]=2 21 B4R0.1 C(=O)(N)NO S1896 [0,1,0,0,0,0|1,0,0]=2 22 B4R0.1 C(=O)(N)NO S1896 [0,1,0,0,0,0|1,0,0]=2 23 B4R0.1 C(=O)(N)NO S1896 [0,1,0,0,0,0|1,0,0]=2 24 B4R0.1 C(=O)(N)NO S1896 [0,1,0,0,0,0|1,0,0]=2 25 B4R0.1 C(C(=O)O)N S4821 [0,1,0,0,0,0|1,0,0]=2 26 B4R0.1 C(C(=O)O)O S1826 [0,1,0,0,0,0|2,0,0]=3 27 B4R0.1 C(C(=O)O)O S1826 [0,1,0,0,0,0|2,0,0]=3 28 B4R0.1 C(C(=O)O)O S1826 [0,1,0,0,0,0|2,0,0]=3 29 B4R0.1 C(C(=O)O)O S6272 [0,1,0,0,0,0|2,0,0]=3 30 B4R0.1 C(C(=O)O)[NH-] S7448 [0,1,0,0,0,0|1,0,1]=3 31 B4R0.1 C(C(=O)O)[NH-] S7448 [0,1,0,0,0,0|1,0,1]=3 32 B4R0.1 C(C(=O)[O-])N S6436 [0,1,0,0,0,0|1,0,1]=3 33 B4R0.1 C(C(=O)[O-])N S6449 [0,1,0,0,0,0|1,0,1]=3 34 B4R0.1 C=CC(=O)N S6227 [0,1,0,0,0,0|1,0,1]=3 35 B4R0.1 CC(=O)NO S4602 [0,1,0,0,0,0|1,0,1]=3 36 B4R0.1 CC(=O)NO S4602 [0,1,0,0,0,0|1,0,1]=3 37 B4R0.1 CC(CO)O S6258 [0,1,0,0,0,0|2,0,1]=4 38 B4R0.1 CN=C(N)N S6309 [0,1,0,0,0,0|1,0,0]=2 39 B4R0.1 CSC(=N)N S3631 [0,1,0,0,0,0|0,1,0]=2 40 B4R0.3 NS(=O)(=O)N S5606 [0,1,0,0,0,0|1,0,2]=4 41 B4R0.3 OP(=O)([O-])[O-] S5011 [0,1,0,0,0,0|3,0,0]=4 42 B1R0.1 CN S6232 [2,0,0,0,0,0|0,0,1]=3 43 B1R0.1 NO S5547 [2,0,0,0,0,0|0,0,0]=2 44 B1R0.1 [C-]#N S4059 [2,0,0,0,0,0|0,0,2]=4 45 B1R0.1 [C-]#N S4059 [2,0,0,0,0,0|0,0,2]=4 46 B3R0.1 C(CO)N S6210 [1,1,0,0,0,0|0,0,1]=3 47 B3R0.1 C(CS)N S4206 [1,1,0,0,0,0|0,1,1]=4 48 B3R0.1 C(CS)N S6402 [1,1,0,0,0,0|0,1,1]=4 49 B5R0.1 C(C(=O)O)ON S4989 [0,2,0,0,0,0|1,0,0]=3 50 B5R0.1 C(CN)C(=O)O S5526 [0,2,0,0,0,0|1,0,0]=3 51 B5R0.1 CCOC(=O)N S4544 [0,2,0,0,0,0|1,0,0]=3 52 B5R0.1 CCOC(=O)N S4544 [0,2,0,0,0,0|1,0,0]=3 53 B5R0.1 CNCC(=O)O S4702 [0,2,0,0,0,0|1,0,0]=3 54 B5R0.1 CNCC(=O)O S4702 [0,2,0,0,0,0|1,0,0]=3 55 B5R0.5 C(=O)(C(=O)O)O S9354 [0,2,0,0,0,0|2,0,0]=4 56 B5R0.5 C(=O)(C(=O)[O-])N S6871 [0,2,0,0,0,0|1,0,1]=4 57 B5R0.5 C(=O)(C(=O)[O-])N S6871 [0,2,0,0,0,0|1,0,1]=4 58 B5R0.5 CC(C(=O)O)N S3203 [0,2,0,0,0,0|1,0,0]=3 59 B5R0.5 CC(C(=O)O)N S5631 [0,2,0,0,0,0|1,0,0]=3 60 B5R0.5 CC(C(=O)O)O S6250 [0,2,0,0,0,0|2,0,0]=4 61 B5R0.5 CC(C(=O)[O-])O S4829 [0,2,0,0,0,0|2,0,0]=4 62 B5R0.5 CC(C(=O)[O-])O S5625 [0,2,0,0,0,0|2,0,0]=4 63 B5R0.5 CC(C(=O)[O-])O S6010 [0,2,0,0,0,0|2,0,0]=4