0 B5R0.5 O=C(Cl)C(F)Cl 104873 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 COC(N)=S 105257 [1,0,0,0,0,0|2,1,0]=4 2 B4R0.1 [13CH](=O)N(C)C 105188 [1,0,0,0,0,0|1,0,0]=2 3 B4R0.1 [2H]C(=O)OC 105254 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.3 CCC(C)C(C)N 214338 [0,1,0,0,0,0|2,0,1]=4 5 B6R0.3 CCC(C)S(=O)[O-] 070719 [0,1,0,0,0,0|1,0,1]=3 6 B6R0.3 CCC(N)C(C)C 214340 [0,1,0,0,0,0|2,0,1]=4 7 B6R0.3 CCN(Cl)C(=O)O 105234 [0,1,0,0,0,0|2,0,0]=3 8 B6R0.3 CNC(=O)[C@H](C)N 105085 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.3 COC(C)C(=O)O 219524 [0,1,0,0,0,0|0,0,0]=1 10 B6R0.7 CC(C)(F)C(=O)Cl 105008 [0,1,0,0,0,0|1,0,0]=2 11 B6R0.7 CC(C)S(=O)(=O)F 070500 [0,1,0,0,0,0|1,0,1]=3 12 B6R0.2 CC(=O)OC(C)=O 035908 [0,0,0,0,0,1|2,0,1]=4 13 B6R0.2 CC(C)NC(C)C 005001 [0,0,0,0,0,1|2,0,1]=4 14 B3R0.1 N[13CH2][13CH2]O 105350 [2,0,0,0,0,0|1,0,1]=4 15 B3R0.1 [C-]#[N+]CC 433365 [2,0,0,0,0,0|2,0,0]=4 16 B3R0.2 CC(=O)O 035907 [2,0,0,0,0,0|0,0,0]=2 17 B3R0.2 CC(=O)O 044721 [2,0,0,0,0,0|0,0,0]=2 18 B3R0.2 CC(C)=O 050332 [2,0,0,0,0,0|0,0,1]=3 19 B3R0.2 O=C(O)O 094746 [2,0,0,0,0,0|1,0,0]=3 20 B3R0.2 O=C(O)O 105338 [2,0,0,0,0,0|1,0,0]=3 21 B3R0.2 O=C([O-])[O-] 044706 [2,0,0,0,0,0|1,0,1]=4 22 B3R0.2 O=C([O-])[O-] 245931 [2,0,0,0,0,0|1,0,1]=4 23 B3R0.2 [2H]C(=O)O 105268 [2,0,0,0,0,0|1,0,0]=3 24 B3R0.2 [2H]C(=O)[O-] 105199 [2,0,0,0,0,0|1,0,1]=4 25 B5R0.1 CCOC(=S)Cl 470560 [1,1,0,0,0,0|1,1,0]=4 26 B5R0.1 CCOC(N)=S 105176 [1,1,0,0,0,0|1,1,0]=4 27 B5R0.1 [2H]C(=O)OCC 105259 [1,1,0,0,0,0|1,0,0]=3 28 B5R0.3 CC(CCl)CCl 098443 [1,1,0,0,0,0|1,0,1]=4 29 B5R0.3 CNC(=O)NN 237741 [1,1,0,0,0,0|2,0,0]=4 30 B5R0.4 CC(C)(C)CBr 403118 [1,1,0,0,0,0|1,0,1]=4 31 B5R0.4 CC(C)(F)C#N 062795 [1,1,0,0,0,0|1,0,1]=4 32 B5R0.4 CC(C)(F)CBr 386871 [1,1,0,0,0,0|1,0,1]=4 33 B5R0.4 CC(C)(F)CO 104410 [1,1,0,0,0,0|0,0,1]=3 34 B5R0.4 CC(C)(N)C#N 030869 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.4 CC(C)(N)C#N 078649 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.4 COC(C)(C)C 044713 [1,1,0,0,0,0|2,0,0]=4 37 B5R0.4 COC(C)(C)C 106403 [1,1,0,0,0,0|2,0,0]=4 38 B7R0.2 C=CC(C)CC(=O)O 229282 [0,1,0,0,0,1|0,0,1]=3 39 B7R0.2 CC(C)CC(=O)NN 061371 [0,1,0,0,0,1|1,0,0]=3 40 B7R0.9 CC(C)CS(=O)(=O)F 070727 [0,1,0,0,0,1|1,0,1]=4 41 B7R0.5 C=CCC(F)C(C)=O 049763 [0,2,0,0,0,0|2,0,0]=4 42 B7R0.5 NC(=O)C(Br)CCBr 105247 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.10 COC(=O)C(C)CBr 104870 [0,2,0,0,0,0|0,0,0]=2 44 B7R0.14 CC(C)(C)C(=O)ON 105751 [0,2,0,0,0,0|0,0,0]=2 45 B7R1.20 NC(=S)NC1CC1 208666 [0,0,0,1,0,1|1,1,0]=4 46 B7R1.26 O=S(=O)(F)C1CC1 070515 [0,1,0,1,0,0|1,0,1]=4 47 B7R0.6 CN(C)CCC(N)=O 043225 [0,0,0,0,0,2|2,0,0]=4