0 B3R0.2 CB(O)O AK-47269 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.2 CC(N)=O AK-97258 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.2 CC(O)=O AK-76644 [0,0,0,0,0,0|1,0,0]=1 3 B3R0.2 CC(O)=O AK111414 [0,0,0,0,0,0|1,0,0]=1 4 B3R0.2 CC([O-])=O AK-98692 [0,0,0,0,0,0|1,0,1]=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|3,0,0]=3 11 B3R0.2 NC([S-])=S AK554464 [0,0,0,0,0,0|1,2,0]=3 12 B3R0.2 [O-]C([O-])=O AK106969 [0,0,0,0,0,0|0,0,2]=2 13 B2R0.1 CC#N AK-41420 [1,0,0,0,0,0|2,0,1]=4 14 B2R0.1 N=CN AK-77050 [1,0,0,0,0,0|2,0,0]=3 15 B2R0.1 NNC AK163949 [1,0,0,0,0,0|3,0,0]=4 16 B2R0.1 ONC AK-90069 [1,0,0,0,0,0|2,0,0]=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|2,0,0]=3 19 B4R0.1 C=CC([O-])=O AK160082 [0,1,0,0,0,0|1,0,1]=3 20 B4R0.1 CC(C)ON AK-81639 [0,1,0,0,0,0|2,0,1]=4 21 B4R0.1 CC(NN)=N AK114707 [0,1,0,0,0,0|3,0,0]=4 22 B4R0.1 CCB(O)O AK-25979 [0,1,0,0,0,0|2,0,0]=3 23 B4R0.1 CCC(N)=N AK-48186 [0,1,0,0,0,0|3,0,0]=4 24 B4R0.1 C[C@@H](N)CO AK-46726 [0,1,0,0,0,0|2,0,1]=4 25 B4R0.1 C[C@@H](O)CCl AK-73033 [0,1,0,0,0,0|2,0,1]=4 26 B4R0.1 C[C@@H](O)CN AK-76466 [0,1,0,0,0,0|2,0,1]=4 27 B4R0.1 C[C@@H](O)CO AK158454 [0,1,0,0,0,0|1,0,1]=3 28 B4R0.1 C[C@H](O)CN AK-72977 [0,1,0,0,0,0|2,0,1]=4 29 B4R0.1 C[C@H](O)CO AK111153 [0,1,0,0,0,0|1,0,1]=3 30 B4R0.1 C\C(N)=N\O AK-91616 [0,1,0,0,0,0|2,0,0]=3 31 B4R0.1 N=C(N)CCl AK113548 [0,1,0,0,0,0|3,0,0]=4 32 B4R0.1 N=C(N)CO AK-40243 [0,1,0,0,0,0|2,0,0]=3 33 B4R0.1 N=C(N)OC AK-48234 [0,1,0,0,0,0|2,0,0]=3 34 B4R0.1 N=C(N)SC AK-44125 [0,1,0,0,0,0|2,1,0]=4 35 B4R0.1 NC(=O)CI AK110349 [0,1,0,0,0,0|2,0,0]=3 36 B4R0.1 NC(C)CO AK-46466 [0,1,0,0,0,0|2,0,1]=4 37 B4R0.1 NC(NC)=N AK-73103 [0,1,0,0,0,0|3,0,0]=4 38 B4R0.1 NC(OC)=N AK116935 [0,1,0,0,0,0|2,0,0]=3 39 B4R0.1 NCC(N)=O AK-41459 [0,1,0,0,0,0|2,0,0]=3 40 B4R0.1 NNC(N)=N AK140136 [0,1,0,0,0,0|3,0,0]=4 41 B4R0.1 O=C(N)CBr AK-50036 [0,1,0,0,0,0|2,0,0]=3 42 B4R0.1 O=C(N)NO AK128930 [0,1,0,0,0,0|1,0,0]=2 43 B4R0.1 O=C(O)CN AK-77854 [0,1,0,0,0,0|1,0,0]=2 44 B4R0.1 O=C([O-])CN AK114167 [0,1,0,0,0,0|1,0,1]=3 45 B4R0.1 ON=C(Br)Br AK-21976 [0,1,0,0,0,0|2,0,0]=3 46 B4R0.1 ONC(C)C AK117015 [0,1,0,0,0,0|2,0,1]=4 47 B4R0.3 CS(=O)(N)=O AK101074 [0,1,0,0,0,0|2,0,1]=4 48 B4R0.3 O=S(N)(N)=O AK-90807 [0,1,0,0,0,0|2,0,1]=4 49 B4R0.3 O=[Os]([O-])([O-])=O AK109281 [0,1,0,0,0,0|1,0,2]=4 50 B4R0.3 O=[S+](C)(C)C AK128826 [0,1,0,0,0,0|3,0,0]=4 51 B4R0.3 O=[S+](C)(C)C AK163211 [0,1,0,0,0,0|3,0,0]=4 52 B4R0.3 O=[W]([O-])([O-])=O AK550046 [0,1,0,0,0,0|1,0,2]=4 53 B1R0.1 CN AK161812 [2,0,0,0,0,0|1,0,1]=4 54 B3R0.1 CONC AK-41541 [1,1,0,0,0,0|2,0,0]=4 55 B3R0.1 NOCC AK-45000 [1,1,0,0,0,0|1,0,1]=4 56 B3R0.1 ONCC AK162979 [1,1,0,0,0,0|1,0,1]=4 57 B5R0.1 C#CCC(O)=O AK106962 [0,2,0,0,0,0|1,0,0]=3 58 B5R0.1 C(C#N)C(N)=O AK-73131 [0,2,0,0,0,0|2,0,0]=4 59 B5R0.1 C(C(=O)O)NC AK-47434 [0,2,0,0,0,0|1,0,0]=3 60 B5R0.1 CC#CC(O)=O AK-49957 [0,2,0,0,0,0|1,0,0]=3 61 B5R0.1 CCCB(O)O AK-47948 [0,2,0,0,0,0|2,0,0]=4 62 B5R0.1 CNCC(N)=O AK-90265 [0,2,0,0,0,0|2,0,0]=4 63 B5R0.1 C[C@@H](O)CCO AK-86774 [0,2,0,0,0,0|1,0,1]=4 64 B5R0.1 N=C(N)COC AK-86295 [0,2,0,0,0,0|2,0,0]=4 65 B5R0.1 NCCC(N)=O AK-26218 [0,2,0,0,0,0|2,0,0]=4 66 B5R0.1 NCCC(O)=O AK-41261 [0,2,0,0,0,0|1,0,0]=3 67 B5R0.1 NOCC(C)=C AK550273 [0,2,0,0,0,0|2,0,0]=4 68 B5R0.1 O=C(N)CSC AK-34209 [0,2,0,0,0,0|1,1,0]=4 69 B5R0.1 O=P(CCN)O AK477259 [0,2,0,0,0,0|2,0,0]=4 70 B5R0.3 C(C(CO)=C)O AK-73078 [0,2,0,0,0,0|1,0,0]=3 71 B5R0.3 C=CC(NC)=O AK115593 [0,2,0,0,0,0|2,0,0]=4 72 B5R0.3 CCC(CN)=O AK-38468 [0,2,0,0,0,0|2,0,0]=4 73 B5R0.3 CCC(CO)=O AK149491 [0,2,0,0,0,0|1,0,0]=3 74 B5R0.3 CC[C@@H](O)CO AK110229 [0,2,0,0,0,0|1,0,1]=4 75 B5R0.3 CC[C@H](O)CO AK110230 [0,2,0,0,0,0|1,0,1]=4 76 B5R0.3 CNC(=O)CCl AK-82796 [0,2,0,0,0,0|2,0,0]=4 77 B5R0.3 NCC(OC)=O AK-43994 [0,2,0,0,0,0|1,0,0]=3 78 B5R0.3 NNC(=O)CO AK-89508 [0,2,0,0,0,0|1,0,0]=3 79 B5R0.3 NNC(OC)=O AK109362 [0,2,0,0,0,0|1,0,0]=3 80 B5R0.3 O=C(CO)CO AK-46682 [0,2,0,0,0,0|0,0,0]=2 81 B5R0.3 O=C(OC)CO AK-98661 [0,2,0,0,0,0|0,0,0]=2 82 B5R0.3 O=C[C@H](O)CO AK122382 [0,2,0,0,0,0|0,0,1]=3 83 B5R0.3 OC[C@@H](O)CN AK-35849 [0,2,0,0,0,0|1,0,1]=4 84 B5R0.3 OC[C@H](O)CN AK-36032 [0,2,0,0,0,0|1,0,1]=4 85 B5R0.4 CC(O)(C)CO AK112021 [0,2,0,0,0,0|1,0,1]=4 86 B5R0.4 CS(=O)(OC)=O AK114353 [0,2,0,0,0,0|1,0,1]=4 87 B5R0.4 NCP(O)(O)=O AK384725 [0,2,0,0,0,0|1,0,0]=3 88 B5R0.5 C(C(=O)O)(=O)O AK-40231 [0,2,0,0,0,0|0,0,0]=2 89 B5R0.5 C=C(F)C(O)=O AK107642 [0,2,0,0,0,0|1,0,0]=3 90 B5R0.5 CC(B(O)O)C AK-46096 [0,2,0,0,0,0|2,0,0]=4 91 B5R0.5 CC(C)C(N)=O AK-80490 [0,2,0,0,0,0|2,0,0]=4 92 B5R0.5 CC(O)C([O-])=O AK114515 [0,2,0,0,0,0|0,0,1]=3 93 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [0,2,0,0,0,0|2,0,0]=4 94 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [0,2,0,0,0,0|1,0,0]=3 95 B5R0.5 C[C@H](N)C(N)=O AK-46287 [0,2,0,0,0,0|2,0,0]=4 96 B5R0.5 C[C@H](O)C([O-])=O AK121770 [0,2,0,0,0,0|0,0,1]=3 97 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [0,2,0,0,0,0|2,0,0]=4 98 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [0,2,0,0,0,0|1,0,0]=3 99 B5R0.5 N[C@@H](C)C(O)=O AK650445 [0,2,0,0,0,0|1,0,0]=3 100 B5R0.5 O=C(O)C(O)=O AK116416 [0,2,0,0,0,0|0,0,0]=2 101 B5R0.5 O=C([O-])C(Cl)Cl AK161750 [0,2,0,0,0,0|1,0,1]=4 102 B5R0.5 O=C([O-])C([O-])=O AK112218 [0,2,0,0,0,0|0,0,2]=4 103 B5R0.5 OB(O)B(O)O AK159643 [0,2,0,0,0,0|1,0,1]=4 104 B5R1.2 O1CC(C1)=O AK-32211 [0,1,0,1,0,0|1,0,0]=3 105 B5R1.2 O=C1CNC1 AK-59488 [0,1,0,1,0,0|2,0,0]=4 106 B5R1.2 O=C1CSC1 AK-41121 [0,1,0,1,0,0|1,1,0]=4 107 B5R1.2 O=C1NCC1 AK-36897 [0,1,0,1,0,0|2,0,0]=4 108 B5R1.2 OC1COC1 AK-32210 [0,1,0,1,0,0|1,0,1]=4