0 B3R0.2 CB(O)O AK-47269 [0,0,0,0,0,0|2,0,1]=3 1 B3R0.2 CC(N)=O AK-97258 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.2 CC(O)=O AK-76644 [0,0,0,0,0,0|2,0,0]=2 3 B3R0.2 CC(O)=O AK111414 [0,0,0,0,0,0|2,0,0]=2 4 B3R0.2 CC([O-])=O AK-98692 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.2 Cl[Ir](Cl)Cl AK106147 [0,0,0,0,0,0|4,0,0]=4 6 B3R0.2 Cl[Rh](Cl)Cl AK106148 [0,0,0,0,0,0|4,0,0]=4 7 B3R0.2 Cl[Rh](Cl)Cl AK115331 [0,0,0,0,0,0|4,0,0]=4 8 B3R0.2 Cl[Ru](Cl)Cl AK-47829 [0,0,0,0,0,0|4,0,0]=4 9 B3R0.2 Cl[Ru](Cl)Cl AK109041 [0,0,0,0,0,0|4,0,0]=4 10 B3R0.2 N=C(Cl)N AK397383 [0,0,0,0,0,0|4,0,0]=4 11 B3R0.2 NC([S-])=S AK554464 [0,0,0,0,0,0|2,2,0]=4 12 B3R0.2 [O-]C([O-])=O AK106969 [0,0,0,0,0,0|1,0,1]=2 13 B2R0.1 CC#N AK-41420 [1,0,0,0,0,0|3,0,0]=4 14 B2R0.1 N=CN AK-77050 [1,0,0,0,0,0|3,0,0]=4 15 B2R0.1 NNC AK163949 [1,0,0,0,0,0|2,0,1]=4 16 B2R0.1 ONC AK-90069 [1,0,0,0,0,0|1,0,1]=3 17 B2R0.1 [Pt](=O)=O AK109565 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 C(N)C(=O)C AK-42698 [0,1,0,0,0,0|3,0,0]=4 19 B4R0.1 C=CC([O-])=O AK160082 [0,1,0,0,0,0|2,0,0]=3 20 B4R0.1 CC(C)ON AK-81639 [0,1,0,0,0,0|3,0,0]=4 21 B4R0.1 CCB(O)O AK-25979 [0,1,0,0,0,0|2,0,1]=4 22 B4R0.1 C[C@@H](N)CO AK-46726 [0,1,0,0,0,0|3,0,0]=4 23 B4R0.1 C[C@@H](O)CCl AK-73033 [0,1,0,0,0,0|3,0,0]=4 24 B4R0.1 C[C@@H](O)CN AK-76466 [0,1,0,0,0,0|3,0,0]=4 25 B4R0.1 C[C@@H](O)CO AK158454 [0,1,0,0,0,0|2,0,1]=4 26 B4R0.1 C[C@H](O)CN AK-72977 [0,1,0,0,0,0|3,0,0]=4 27 B4R0.1 C[C@H](O)CO AK111153 [0,1,0,0,0,0|2,0,1]=4 28 B4R0.1 C\C(N)=N\O AK-91616 [0,1,0,0,0,0|3,0,0]=4 29 B4R0.1 N=C(N)CO AK-40243 [0,1,0,0,0,0|3,0,0]=4 30 B4R0.1 N=C(N)OC AK-48234 [0,1,0,0,0,0|3,0,0]=4 31 B4R0.1 NC(=O)CI AK110349 [0,1,0,0,0,0|3,0,0]=4 32 B4R0.1 NC(C)CO AK-46466 [0,1,0,0,0,0|3,0,0]=4 33 B4R0.1 NC(OC)=N AK116935 [0,1,0,0,0,0|3,0,0]=4 34 B4R0.1 NCC(N)=O AK-41459 [0,1,0,0,0,0|3,0,0]=4 35 B4R0.1 O=C(N)CBr AK-50036 [0,1,0,0,0,0|3,0,0]=4 36 B4R0.1 O=C(N)NO AK128930 [0,1,0,0,0,0|2,0,0]=3 37 B4R0.1 O=C(O)CN AK-77854 [0,1,0,0,0,0|2,0,0]=3 38 B4R0.1 O=C([O-])CN AK114167 [0,1,0,0,0,0|2,0,0]=3 39 B4R0.1 ON=C(Br)Br AK-21976 [0,1,0,0,0,0|3,0,0]=4 40 B4R0.1 ONC(C)C AK117015 [0,1,0,0,0,0|3,0,0]=4 41 B4R0.3 CS(=O)(N)=O AK101074 [0,1,0,0,0,0|2,0,1]=4 42 B4R0.3 O=S(N)(N)=O AK-90807 [0,1,0,0,0,0|2,0,1]=4 43 B4R0.3 O=[Os]([O-])([O-])=O AK109281 [0,1,0,0,0,0|1,0,1]=3 44 B4R0.3 O=[S+](C)(C)C AK128826 [0,1,0,0,0,0|3,0,0]=4 45 B4R0.3 O=[S+](C)(C)C AK163211 [0,1,0,0,0,0|3,0,0]=4 46 B4R0.3 O=[W]([O-])([O-])=O AK550046 [0,1,0,0,0,0|1,0,1]=3 47 B1R0.1 CN AK161812 [2,0,0,0,0,0|1,0,1]=4 48 B3R0.1 CONC AK-41541 [1,1,0,0,0,0|1,0,1]=4 49 B3R0.1 NOCC AK-45000 [1,1,0,0,0,0|2,0,0]=4 50 B3R0.1 ONCC AK162979 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.1 C#CCC(O)=O AK106962 [0,2,0,0,0,0|2,0,0]=4 52 B5R0.1 C(C(=O)O)NC AK-47434 [0,2,0,0,0,0|2,0,0]=4 53 B5R0.1 CC#CC(O)=O AK-49957 [0,2,0,0,0,0|2,0,0]=4 54 B5R0.1 NCCC(O)=O AK-41261 [0,2,0,0,0,0|2,0,0]=4 55 B5R0.1 O=P(CCN)O AK477259 [0,2,0,0,0,0|1,1,0]=4 56 B5R0.3 CCC(CO)=O AK149491 [0,2,0,0,0,0|2,0,0]=4 57 B5R0.3 NCC(OC)=O AK-43994 [0,2,0,0,0,0|2,0,0]=4 58 B5R0.3 NNC(=O)CO AK-89508 [0,2,0,0,0,0|2,0,0]=4 59 B5R0.3 NNC(OC)=O AK109362 [0,2,0,0,0,0|2,0,0]=4 60 B5R0.3 O=C(CO)CO AK-46682 [0,2,0,0,0,0|1,0,1]=4 61 B5R0.3 O=C(OC)CO AK-98661 [0,2,0,0,0,0|1,0,1]=4 62 B5R0.3 O=C[C@H](O)CO AK122382 [0,2,0,0,0,0|1,0,1]=4 63 B5R0.4 CS(=O)(OC)=O AK114353 [0,2,0,0,0,0|1,0,1]=4 64 B5R0.4 NCP(O)(O)=O AK384725 [0,2,0,0,0,0|0,1,1]=4 65 B5R0.5 C(C(=O)O)(=O)O AK-40231 [0,2,0,0,0,0|1,0,1]=4 66 B5R0.5 C=C(F)C(O)=O AK107642 [0,2,0,0,0,0|2,0,0]=4 67 B5R0.5 CC(O)C([O-])=O AK114515 [0,2,0,0,0,0|1,0,0]=3 68 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [0,2,0,0,0,0|2,0,0]=4 69 B5R0.5 C[C@H](O)C([O-])=O AK121770 [0,2,0,0,0,0|1,0,0]=3 70 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [0,2,0,0,0,0|2,0,0]=4 71 B5R0.5 N[C@@H](C)C(O)=O AK650445 [0,2,0,0,0,0|2,0,0]=4 72 B5R0.5 O=C(O)C(O)=O AK116416 [0,2,0,0,0,0|1,0,1]=4 73 B5R0.5 O=C([O-])C(Cl)Cl AK161750 [0,2,0,0,0,0|2,0,0]=4 74 B5R0.5 O=C([O-])C([O-])=O AK112218 [0,2,0,0,0,0|1,0,1]=4 75 B5R1.2 O1CC(C1)=O AK-32211 [0,1,0,1,0,0|2,0,0]=4