0 B3R0.1 C(N)CBr AK-41589 [0,0,0,0,0,0|2,0,2]=4 1 B3R0.1 CCNC AK325076 [0,0,0,0,0,0|2,0,2]=4 2 B3R0.1 CONC AK-41541 [0,0,0,0,0,0|3,0,1]=4 3 B3R0.1 FCCN AK-45730 [0,0,0,0,0,0|2,0,2]=4 4 B3R0.1 NOCC AK-45000 [0,0,0,0,0,0|2,0,2]=4 5 B3R0.1 ONCC AK162979 [0,0,0,0,0,0|1,0,3]=4 6 B2R0.1 CC#N AK-41420 [1,0,0,0,0,0|1,0,2]=4 7 B2R0.1 N=CN AK-77050 [1,0,0,0,0,0|2,0,0]=3 8 B2R0.1 NNC AK163949 [1,0,0,0,0,0|2,0,1]=4 9 B2R0.1 ONC AK-90069 [1,0,0,0,0,0|1,0,2]=4 10 B2R0.1 [Pt](=O)=O AK109565 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 C(N)C(=O)C AK-42698 [0,1,0,0,0,0|1,0,1]=3 12 B4R0.1 C=CC([O-])=O AK160082 [0,1,0,0,0,0|0,0,0]=1 13 B4R0.1 CC(NN)=N AK114707 [0,1,0,0,0,0|2,0,1]=4 14 B4R0.1 CCC(N)=N AK-48186 [0,1,0,0,0,0|1,0,2]=4 15 B4R0.1 C\C(N)=N\O AK-91616 [0,1,0,0,0,0|1,0,2]=4 16 B4R0.1 N=C(N)CCl AK113548 [0,1,0,0,0,0|2,0,1]=4 17 B4R0.1 N=C(N)CO AK-40243 [0,1,0,0,0,0|1,0,2]=4 18 B4R0.1 N=C(N)OC AK-48234 [0,1,0,0,0,0|2,0,1]=4 19 B4R0.1 N=C(N)SC AK-44125 [0,1,0,0,0,0|2,0,1]=4 20 B4R0.1 NC(=O)CI AK110349 [0,1,0,0,0,0|1,0,1]=3 21 B4R0.1 NC(NC)=N AK-73103 [0,1,0,0,0,0|2,0,1]=4 22 B4R0.1 NC(OC)=N AK116935 [0,1,0,0,0,0|2,0,1]=4 23 B4R0.1 NCC(N)=O AK-41459 [0,1,0,0,0,0|1,0,1]=3 24 B4R0.1 NNC(N)=N AK140136 [0,1,0,0,0,0|3,0,0]=4 25 B4R0.1 O=C(N)CBr AK-50036 [0,1,0,0,0,0|1,0,1]=3 26 B4R0.1 O=C(N)NO AK128930 [0,1,0,0,0,0|2,0,0]=3 27 B4R0.1 O=C(O)CN AK-77854 [0,1,0,0,0,0|1,0,1]=3 28 B4R0.1 O=C([O-])CN AK114167 [0,1,0,0,0,0|1,0,1]=3 29 B4R0.1 ON=C(Br)Br AK-21976 [0,1,0,0,0,0|2,0,1]=4 30 B4R0.2 C=CCCN AK165308 [0,1,0,0,0,0|1,0,1]=3 31 B4R0.2 C=CC[Pd]Cl AK327212 [0,1,0,0,0,0|1,0,1]=3 32 B4R0.2 NOCC=C AK208821 [0,1,0,0,0,0|0,0,2]=3 33 B1R0.1 CN AK161812 [2,0,0,0,0,0|1,0,1]=4 34 B3R0.2 CC(N)=O AK-97258 [1,1,0,0,0,0|0,0,1]=3 35 B3R0.2 CC(O)=O AK-76644 [1,1,0,0,0,0|0,0,1]=3 36 B3R0.2 CC(O)=O AK111414 [1,1,0,0,0,0|0,0,1]=3 37 B3R0.2 CC([O-])=O AK-98692 [1,1,0,0,0,0|0,0,1]=3 38 B3R0.2 N=C(Cl)N AK397383 [1,1,0,0,0,0|2,0,0]=4 39 B3R0.2 NC([S-])=S AK554464 [1,1,0,0,0,0|1,1,0]=4 40 B3R0.2 [O-]C([O-])=O AK106969 [1,1,0,0,0,0|1,0,0]=3 41 B5R0.1 C#CCC(O)=O AK106962 [0,2,0,0,0,0|0,0,2]=4 42 B5R0.1 C(C#N)C(N)=O AK-73131 [0,2,0,0,0,0|0,0,2]=4 43 B5R0.1 C(C(=O)O)NC AK-47434 [0,2,0,0,0,0|0,0,2]=4 44 B5R0.1 CC#CC(O)=O AK-49957 [0,2,0,0,0,0|0,0,2]=4 45 B5R0.1 CNCC(N)=O AK-90265 [0,2,0,0,0,0|0,0,2]=4 46 B5R0.1 NCCC(N)=O AK-26218 [0,2,0,0,0,0|0,0,2]=4 47 B5R0.1 NCCC(O)=O AK-41261 [0,2,0,0,0,0|0,0,2]=4 48 B5R0.1 NOCC(C)=C AK550273 [0,2,0,0,0,0|0,0,2]=4 49 B5R0.1 O=C(N)CSC AK-34209 [0,2,0,0,0,0|0,0,2]=4 50 B5R0.1 O=CCN(C)C AK136086 [0,2,0,0,0,0|0,0,2]=4 51 B5R0.1 O=CCN(C)C AK172998 [0,2,0,0,0,0|0,0,2]=4 52 B5R0.3 BrCC(=C)CBr AK101659 [0,2,0,0,0,0|1,0,1]=4 53 B5R0.3 C(C(CO)=C)O AK-73078 [0,2,0,0,0,0|0,0,2]=4 54 B5R0.3 C=CC(NC)=O AK115593 [0,2,0,0,0,0|0,0,0]=2 55 B5R0.3 C=C[C@H](N)CO AK-78923 [0,2,0,0,0,0|0,0,2]=4 56 B5R0.3 CCC(CN)=O AK-38468 [0,2,0,0,0,0|0,0,2]=4 57 B5R0.3 CCC(CO)=O AK149491 [0,2,0,0,0,0|0,0,2]=4 58 B5R0.3 CNC(=O)CCl AK-82796 [0,2,0,0,0,0|1,0,1]=4 59 B5R0.3 NCC(OC)=O AK-43994 [0,2,0,0,0,0|1,0,1]=4 60 B5R0.3 NNC(=O)CO AK-89508 [0,2,0,0,0,0|1,0,1]=4 61 B5R0.3 NNC(OC)=O AK109362 [0,2,0,0,0,0|1,0,1]=4 62 B5R0.3 NOC(C=C)C AK550274 [0,2,0,0,0,0|0,0,2]=4 63 B5R0.3 O=C(CO)CO AK-46682 [0,2,0,0,0,0|1,0,1]=4 64 B5R0.3 O=C(OC)CO AK-98661 [0,2,0,0,0,0|1,0,1]=4 65 B5R0.3 O=C[C@H](O)CO AK122382 [0,2,0,0,0,0|0,0,2]=4 66 B5R0.4 C=C[B-](F)(F)F AK-61560 [0,2,0,0,0,0|2,0,0]=4 67 B5R0.5 C(C(=O)O)(=O)O AK-40231 [0,2,0,0,0,0|1,0,0]=3 68 B5R0.5 C=C(F)C(O)=O AK107642 [0,2,0,0,0,0|0,0,0]=2 69 B5R0.5 CC(C)C(N)=O AK-80490 [0,2,0,0,0,0|0,0,2]=4 70 B5R0.5 CC(O)C([O-])=O AK114515 [0,2,0,0,0,0|0,0,2]=4 71 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [0,2,0,0,0,0|0,0,2]=4 72 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [0,2,0,0,0,0|0,0,2]=4 73 B5R0.5 C[C@H](N)C(N)=O AK-46287 [0,2,0,0,0,0|0,0,2]=4 74 B5R0.5 C[C@H](O)C([O-])=O AK121770 [0,2,0,0,0,0|0,0,2]=4 75 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [0,2,0,0,0,0|0,0,2]=4 76 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [0,2,0,0,0,0|0,0,2]=4 77 B5R0.5 N[C@@H](C)C(O)=O AK650445 [0,2,0,0,0,0|0,0,2]=4 78 B5R0.5 O=C(O)C(O)=O AK116416 [0,2,0,0,0,0|1,0,0]=3 79 B5R0.5 O=C([O-])C(Cl)Cl AK161750 [0,2,0,0,0,0|1,0,1]=4 80 B5R0.5 O=C([O-])C([O-])=O AK112218 [0,2,0,0,0,0|1,0,0]=3 81 B5R0.2 C=CCCCO AK325629 [0,2,0,0,0,0|0,0,2]=4 82 B5R1.2 O1CC(C1)=O AK-32211 [0,1,0,1,0,0|0,0,2]=4 83 B5R1.2 O=C1CNC1 AK-59488 [0,1,0,1,0,0|0,0,2]=4 84 B5R1.2 O=C1CSC1 AK-41121 [0,1,0,1,0,0|0,0,2]=4 85 B5R1.2 O=C1NCC1 AK-36897 [0,1,0,1,0,0|0,0,2]=4 86 B5R1.1 N1C=CN=C1 AK-68419 [0,1,0,1,0,0|1,0,0]=3 87 B5R1.1 N1CC=CC1 AK-35945 [0,1,0,1,0,0|1,0,1]=4 88 B5R1.1 N1N=CC=C1 AK-80047 [0,1,0,1,0,0|1,0,0]=3 89 B5R1.1 N1N=CN=C1 AK111541 [0,1,0,1,0,0|2,0,0]=4 90 B5R1.1 N1N=NC=C1 AK-82525 [0,1,0,1,0,0|2,0,0]=4 91 B5R1.1 [N-]1N=CN=C1 AK161856 [0,1,0,1,0,0|2,0,0]=4