0 B3R0.2 CB(O)O AK-47269 [0,0,0,0,0,0|3,1,0]=4 1 B3R0.2 CC(N)=O AK-97258 [0,0,0,0,0,0|1,1,0]=2 2 B3R0.2 CC(O)=O AK-76644 [0,0,0,0,0,0|2,1,0]=3 3 B3R0.2 CC(O)=O AK111414 [0,0,0,0,0,0|2,1,0]=3 4 B3R0.2 CC([O-])=O AK-98692 [0,0,0,0,0,0|2,1,0]=3 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|1,0,1]=2 11 B3R0.2 NC([S-])=S AK554464 [0,0,0,0,0,0|1,0,0]=1 12 B3R0.2 [O-]C([O-])=O AK106969 [0,0,0,0,0,0|2,1,0]=3 13 B2R0.1 CC#N AK-41420 [1,0,0,0,0,0|1,0,2]=4 14 B2R0.1 N=CN AK-77050 [1,0,0,0,0,0|0,0,1]=2 15 B2R0.1 NNC AK163949 [1,0,0,0,0,0|2,0,0]=3 16 B2R0.1 ONC AK-90069 [1,0,0,0,0,0|2,1,0]=4 17 B2R0.1 [Pt](=O)=O AK109565 [1,0,0,0,0,0|2,1,0]=4 18 B4R0.1 C(N)C(=O)C AK-42698 [0,1,0,0,0,0|1,1,0]=3 19 B4R0.1 C=CC([O-])=O AK160082 [0,1,0,0,0,0|2,1,0]=4 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|1,0,1]=3 22 B4R0.1 CC(NN)C AK-46728 [0,1,0,0,0,0|2,0,1]=4 23 B4R0.1 CCC(N)=N AK-48186 [0,1,0,0,0,0|1,0,1]=3 24 B4R0.1 C[C@@H](N)CO AK-46726 [0,1,0,0,0,0|1,1,1]=4 25 B4R0.1 C[C@@H](O)CN AK-76466 [0,1,0,0,0,0|1,1,1]=4 26 B4R0.1 C[C@H](N)C#C AK167739 [0,1,0,0,0,0|2,0,1]=4 27 B4R0.1 C[C@H](N)CN AK-51561 [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|1,1,1]=4 29 B4R0.1 C\C(N)=N\O AK-91616 [0,1,0,0,0,0|1,0,1]=3 30 B4R0.1 N=C(N)CCl AK113548 [0,1,0,0,0,0|1,0,1]=3 31 B4R0.1 N=C(N)CO AK-40243 [0,1,0,0,0,0|0,1,1]=3 32 B4R0.1 N=C(N)OC AK-48234 [0,1,0,0,0,0|0,1,1]=3 33 B4R0.1 N=C(N)SC AK-44125 [0,1,0,0,0,0|0,0,2]=3 34 B4R0.1 NC(=O)CI AK110349 [0,1,0,0,0,0|1,1,0]=3 35 B4R0.1 NC(C)CO AK-46466 [0,1,0,0,0,0|1,1,1]=4 36 B4R0.1 NC(NC)=N AK-73103 [0,1,0,0,0,0|1,0,0]=2 37 B4R0.1 NC(OC)=N AK116935 [0,1,0,0,0,0|0,1,1]=3 38 B4R0.1 NCC(N)=O AK-41459 [0,1,0,0,0,0|0,1,0]=2 39 B4R0.1 NNC(N)=N AK140136 [0,1,0,0,0,0|1,0,0]=2 40 B4R0.1 O=C(N)CBr AK-50036 [0,1,0,0,0,0|1,1,0]=3 41 B4R0.1 O=C(N)NO AK128930 [0,1,0,0,0,0|0,1,0]=2 42 B4R0.1 O=C(O)CN AK-77854 [0,1,0,0,0,0|1,1,0]=3 43 B4R0.1 O=C([O-])CN AK114167 [0,1,0,0,0,0|1,1,0]=3 44 B4R0.1 ON=C(Br)Br AK-21976 [0,1,0,0,0,0|2,0,1]=4 45 B4R0.1 ONC(C)C AK117015 [0,1,0,0,0,0|2,0,1]=4 46 B4R0.3 CS(=O)(N)=O AK101074 [0,1,0,0,0,0|2,1,0]=4 47 B4R0.3 O=S(N)(N)=O AK-90807 [0,1,0,0,0,0|1,1,0]=3 48 B1R0.1 CN AK161812 [2,0,0,0,0,0|0,0,1]=3 49 B3R0.1 C(N)CBr AK-41589 [1,1,0,0,0,0|1,0,1]=4 50 B3R0.1 CCNC AK325076 [1,1,0,0,0,0|1,0,1]=4 51 B3R0.1 CONC AK-41541 [1,1,0,0,0,0|2,0,0]=4 52 B3R0.1 FCCN AK-45730 [1,1,0,0,0,0|1,0,1]=4 53 B3R0.1 NOCC AK-45000 [1,1,0,0,0,0|1,0,1]=4 54 B3R0.1 ONCC AK162979 [1,1,0,0,0,0|1,0,1]=4 55 B5R0.1 C(C#N)C(N)=O AK-73131 [0,2,0,0,0,0|0,1,1]=4 56 B5R0.1 C(C(=O)O)NC AK-47434 [0,2,0,0,0,0|1,1,0]=4 57 B5R0.1 CNCC(N)=O AK-90265 [0,2,0,0,0,0|0,1,0]=3 58 B5R0.1 N=C(N)COC AK-86295 [0,2,0,0,0,0|0,1,1]=4 59 B5R0.1 NCCC(N)=O AK-26218 [0,2,0,0,0,0|0,1,0]=3 60 B5R0.1 NCCC(O)=O AK-41261 [0,2,0,0,0,0|1,1,0]=4 61 B5R0.1 NOCC(C)=C AK550273 [0,2,0,0,0,0|2,0,0]=4 62 B5R0.1 O=C(N)CSC AK-34209 [0,2,0,0,0,0|1,0,1]=4 63 B5R0.1 [O+](=C(N)N)CC AK-50388 [0,2,0,0,0,0|0,1,0]=3 64 B5R0.3 C(C(CN)O)N AK-49066 [0,2,0,0,0,0|0,1,1]=4 65 B5R0.3 C=CC(NC)=O AK115593 [0,2,0,0,0,0|1,1,0]=4 66 B5R0.3 CCC(CN)=O AK-38468 [0,2,0,0,0,0|1,1,0]=4 67 B5R0.3 CNC(=O)CCl AK-82796 [0,2,0,0,0,0|1,1,0]=4 68 B5R0.3 NCC(OC)=O AK-43994 [0,2,0,0,0,0|1,1,0]=4 69 B5R0.3 NNC(=N)NN AK-38401 [0,2,0,0,0,0|1,0,0]=3 70 B5R0.3 NNC(=O)CO AK-89508 [0,2,0,0,0,0|1,1,0]=4 71 B5R0.3 NNC(OC)=O AK109362 [0,2,0,0,0,0|1,1,0]=4 72 B5R0.5 CC(C)C(N)=O AK-80490 [0,2,0,0,0,0|1,1,0]=4 73 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [0,2,0,0,0,0|0,1,0]=3 74 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [0,2,0,0,0,0|1,1,0]=4 75 B5R0.5 C[C@H](N)C(N)=O AK-46287 [0,2,0,0,0,0|0,1,0]=3 76 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [0,2,0,0,0,0|0,1,0]=3 77 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [0,2,0,0,0,0|1,1,0]=4 78 B5R0.5 N[C@@H](C)C(O)=O AK650445 [0,2,0,0,0,0|1,1,0]=4 79 B5R1.2 NC1CNC1 AK-32674 [0,1,0,1,0,0|1,0,1]=4 80 B5R1.2 O=C1CNC1 AK-59488 [0,1,0,1,0,0|1,1,0]=4 81 B5R1.2 O=C1NCC1 AK-36897 [0,1,0,1,0,0|1,1,0]=4 82 B5R1.4 N[C@H]1[C@H](N)C1 AK-67653 [0,1,0,1,0,0|1,0,1]=4