0 B4R0.3 CS(=O)(N)=O AK101074 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.3 C[B-](F)(F)F AK105353 [0,0,0,0,0,0|4,0,0]=4 2 B4R0.3 C[N+](C)(C)C AK117183 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.3 C[N+](C)(C)C AK173315 [0,0,0,0,0,0|1,0,0]=1 4 B4R0.3 O=[Os]([O-])([O-])=O AK109281 [0,0,0,0,0,0|4,0,0]=4 5 B4R0.3 O=[S+](C)(C)C AK128826 [0,0,0,0,0,0|1,0,1]=2 6 B4R0.3 O=[S+](C)(C)C AK163211 [0,0,0,0,0,0|1,0,1]=2 7 B4R0.3 O=[W]([O-])([O-])=O AK550046 [0,0,0,0,0,0|4,0,0]=4 8 B3R0.2 CB(O)O AK-47269 [1,0,0,0,0,0|2,0,1]=4 9 B3R0.2 CC(N)=O AK-97258 [1,0,0,0,0,0|2,0,1]=4 10 B3R0.2 CC(O)=O AK-76644 [1,0,0,0,0,0|2,0,1]=4 11 B3R0.2 CC(O)=O AK111414 [1,0,0,0,0,0|2,0,1]=4 12 B3R0.2 CC([O-])=O AK-98692 [1,0,0,0,0,0|2,0,0]=3 13 B3R0.2 [O-]C([O-])=O AK106969 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.4 CC(C)(C)CN AK-64580 [0,1,0,0,0,0|2,0,0]=3 15 B5R0.4 CC(C)(C)ON AK110566 [0,1,0,0,0,0|1,0,1]=3 16 B5R0.4 CC(C)(N)C#N AK-76956 [0,1,0,0,0,0|2,0,1]=4 17 B5R0.4 CC(O)(C)CN AK-37803 [0,1,0,0,0,0|1,0,1]=3 18 B5R0.4 CC(O)(C)CO AK112021 [0,1,0,0,0,0|1,0,1]=3 19 B5R0.4 CS(=O)(OC)=O AK114353 [0,1,0,0,0,0|2,0,1]=4 20 B5R0.4 C[S](=O)(=O)NC AK-44250 [0,1,0,0,0,0|2,0,1]=4 21 B5R0.4 NCC(F)(F)C AK-35117 [0,1,0,0,0,0|3,0,0]=4 22 B5R0.4 NNC(C)(C)C AK113700 [0,1,0,0,0,0|2,0,0]=3 23 B5R0.4 ONC(C)(C)C AK-47440 [0,1,0,0,0,0|1,0,1]=3 24 B5R0.4 ONC(C)(C)C AK118975 [0,1,0,0,0,0|1,0,1]=3 25 B5R1.5 NC1(C)CC1 AK-51148 [0,0,0,1,0,0|2,0,0]=3 26 B2R0.1 CC#N AK-41420 [2,0,0,0,0,0|2,0,0]=4 27 B2R0.1 NNC AK163949 [2,0,0,0,0,0|1,0,1]=4 28 B2R0.1 ONC AK-90069 [2,0,0,0,0,0|0,0,2]=4 29 B4R0.1 C(N)C(=O)C AK-42698 [1,1,0,0,0,0|1,0,1]=4 30 B4R0.1 CC(C)ON AK-81639 [1,1,0,0,0,0|1,0,1]=4 31 B4R0.1 CC(NN)C AK-46728 [1,1,0,0,0,0|2,0,0]=4 32 B4R0.1 C[C@@H](N)CO AK-46726 [1,1,0,0,0,0|2,0,0]=4 33 B4R0.1 C[C@@H](O)CCl AK-73033 [1,1,0,0,0,0|1,0,1]=4 34 B4R0.1 C[C@@H](O)CN AK-76466 [1,1,0,0,0,0|1,0,1]=4 35 B4R0.1 C[C@@H](O)CO AK158454 [1,1,0,0,0,0|1,0,1]=4 36 B4R0.1 C[C@H](N)CN AK-51561 [1,1,0,0,0,0|2,0,0]=4 37 B4R0.1 C[C@H](O)CN AK-72977 [1,1,0,0,0,0|1,0,1]=4 38 B4R0.1 C[C@H](O)CO AK111153 [1,1,0,0,0,0|1,0,1]=4 39 B4R0.1 NC(C)CO AK-46466 [1,1,0,0,0,0|2,0,0]=4 40 B4R0.1 O=C([O-])CN AK114167 [1,1,0,0,0,0|2,0,0]=4 41 B4R0.1 ONC(C)C AK117015 [1,1,0,0,0,0|1,0,1]=4 42 B6R0.5 CC(C)(N)CCO AK146046 [0,2,0,0,0,0|2,0,0]=4 43 B6R0.5 ClCC[N+](C)(C)C AK115994 [0,2,0,0,0,0|1,0,0]=3 44 B6R0.7 CC(C)(C)C(N)=N AK113616 [0,2,0,0,0,0|2,0,0]=4 45 B6R0.7 CC(C)(C)C([O-])=O AK160916 [0,2,0,0,0,0|1,0,0]=3 46 B6R0.7 CC(C)(C)C([O-])=O AK311585 [0,2,0,0,0,0|1,0,0]=3 47 B6R0.7 CC(C)(C)[S@@](=O)N AK-27064 [0,2,0,0,0,0|1,0,1]=4 48 B6R0.7 CC(C)(C)[S@](=O)N AK-25810 [0,2,0,0,0,0|1,0,1]=4 49 B6R0.7 CC(C)(C)[S](=O)N AK-25434 [0,2,0,0,0,0|1,0,1]=4 50 B6R0.7 O=C(N)C(C)(C)C AK208951 [0,2,0,0,0,0|1,0,1]=4 51 B6R0.7 O=C([O-])C(C)(C)C AK208709 [0,2,0,0,0,0|1,0,0]=3 52 B6R0.8 CC(NC)(C)CO AK-82110 [0,2,0,0,0,0|1,0,1]=4 53 B6R0.8 COC(C)(C)CN AK-50222 [0,2,0,0,0,0|1,0,1]=4 54 B6R0.8 N#CC(C)(C)CO AK109218 [0,2,0,0,0,0|2,0,0]=4 55 B6R0.8 OCC(C)(C)CO AK109182 [0,2,0,0,0,0|1,0,1]=4 56 B6R1.7 NCC1(C)CC1 AK159118 [0,1,0,1,0,0|2,0,0]=4 57 B6R1.7 OC1(CN)CC1 AK-77569 [0,1,0,1,0,0|1,0,1]=4 58 B6R1.7 OCC1(N)CC1 AK-32789 [0,1,0,1,0,0|2,0,0]=4 59 B6R1.10 CC1(C)CNC1 AK139188 [0,1,0,1,0,0|2,0,0]=4 60 B6R1.10 NC1(C)CCC1 AK117597 [0,1,0,1,0,0|2,0,0]=4 61 B6R1.10 NC1(C)COC1 AK-57022 [0,1,0,1,0,0|2,0,0]=4 62 B6R1.10 OC1(C)CNC1 AK142848 [0,1,0,1,0,0|1,0,1]=4 63 B6R1.10 OC1(C)COC1 AK112914 [0,1,0,1,0,0|1,0,1]=4