0 B3R0.1 C(N)CBr AK-41589 [0,0,0,0,0,0|4,0,0]=4 1 B3R0.1 CCNC AK325076 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.1 CONC AK-41541 [0,0,0,0,0,0|1,1,0]=2 3 B3R0.1 FCCN AK-45730 [0,0,0,0,0,0|4,0,0]=4 4 B3R0.1 NOCC AK-45000 [0,0,0,0,0,0|2,1,0]=3 5 B3R0.1 ONCC AK162979 [0,0,0,0,0,0|3,0,0]=3 6 B2R0.1 CC#N AK-41420 [1,0,0,0,0,0|2,0,0]=3 7 B2R0.1 N=CN AK-77050 [1,0,0,0,0,0|3,0,0]=4 8 B2R0.1 NNC AK163949 [1,0,0,0,0,0|2,0,0]=3 9 B2R0.1 ONC AK-90069 [1,0,0,0,0,0|1,1,0]=3 10 B2R0.1 [Pt](=O)=O AK109565 [1,0,0,0,0,0|2,1,0]=4 11 B4R0.1 C(N)C(=O)C AK-42698 [0,1,0,0,0,0|3,0,0]=4 12 B4R0.1 CC(C)ON AK-81639 [0,1,0,0,0,0|2,1,0]=4 13 B4R0.1 CC(NN)=N AK114707 [0,1,0,0,0,0|3,0,0]=4 14 B4R0.1 CC(NN)C AK-46728 [0,1,0,0,0,0|3,0,0]=4 15 B4R0.1 CCB(O)O AK-25979 [0,1,0,0,0,0|3,0,0]=4 16 B4R0.1 CCC(N)=N AK-48186 [0,1,0,0,0,0|3,0,0]=4 17 B4R0.1 C[C@@H](N)CO AK-46726 [0,1,0,0,0,0|3,0,0]=4 18 B4R0.1 C[C@@H](O)CCl AK-73033 [0,1,0,0,0,0|3,0,0]=4 19 B4R0.1 C[C@@H](O)CN AK-76466 [0,1,0,0,0,0|3,0,0]=4 20 B4R0.1 C[C@@H](O)CO AK158454 [0,1,0,0,0,0|3,0,0]=4 21 B4R0.1 C[C@H](N)C#C AK167739 [0,1,0,0,0,0|2,0,1]=4 22 B4R0.1 C[C@H](N)CN AK-51561 [0,1,0,0,0,0|3,0,0]=4 23 B4R0.1 C[C@H](O)CN AK-72977 [0,1,0,0,0,0|3,0,0]=4 24 B4R0.1 C[C@H](O)CO AK111153 [0,1,0,0,0,0|3,0,0]=4 25 B4R0.1 C\C(N)=N\O AK-91616 [0,1,0,0,0,0|3,0,0]=4 26 B4R0.1 N=C(N)OC AK-48234 [0,1,0,0,0,0|2,1,0]=4 27 B4R0.1 N=C(N)SC AK-44125 [0,1,0,0,0,0|2,0,0]=3 28 B4R0.1 NC(C)CO AK-46466 [0,1,0,0,0,0|3,0,0]=4 29 B4R0.1 NC(NC)=N AK-73103 [0,1,0,0,0,0|3,0,0]=4 30 B4R0.1 NC(OC)=N AK116935 [0,1,0,0,0,0|2,1,0]=4 31 B4R0.1 ONC(C)C AK117015 [0,1,0,0,0,0|3,0,0]=4 32 B4R0.2 BrCCNC AK153488 [0,1,0,0,0,0|2,0,0]=3 33 B4R0.2 C#CCCN AK-81795 [0,1,0,0,0,0|2,0,1]=4 34 B4R0.2 C(Br)CCN AK-73071 [0,1,0,0,0,0|3,0,0]=4 35 B4R0.2 C=CCCN AK165308 [0,1,0,0,0,0|2,0,1]=4 36 B4R0.2 ClCCNC AK123132 [0,1,0,0,0,0|2,0,0]=3 37 B4R0.2 ICCCI AK126057 [0,1,0,0,0,0|3,0,0]=4 38 B4R0.2 N#CCNC AK-46627 [0,1,0,0,0,0|2,0,1]=4 39 B4R0.2 NCCCCl AK164441 [0,1,0,0,0,0|3,0,0]=4 40 B4R0.2 NNCCC AK-76893 [0,1,0,0,0,0|3,0,0]=4 41 B4R0.2 NNCCO AK-41264 [0,1,0,0,0,0|3,0,0]=4 42 B4R0.2 NOCCN AK-72573 [0,1,0,0,0,0|2,1,0]=4 43 B4R0.2 OCCCBr AK-77055 [0,1,0,0,0,0|3,0,0]=4 44 B4R1.1 N1CCC1 AK-23880 [0,0,0,1,0,0|2,0,0]=3 45 B1R0.1 CN AK161812 [2,0,0,0,0,0|1,0,0]=3 46 B3R0.2 CB(O)O AK-47269 [1,1,0,0,0,0|1,1,0]=4 47 B3R0.2 CC(N)=O AK-97258 [1,1,0,0,0,0|1,1,0]=4 48 B3R0.2 CC(O)=O AK-76644 [1,1,0,0,0,0|1,1,0]=4 49 B3R0.2 CC(O)=O AK111414 [1,1,0,0,0,0|1,1,0]=4 50 B3R0.2 CC([O-])=O AK-98692 [1,1,0,0,0,0|1,1,0]=4 51 B5R0.1 CC(N)CCO AK-81869 [0,2,0,0,0,0|2,0,0]=4 52 B5R0.1 CN(CCBr)C AK-35597 [0,2,0,0,0,0|2,0,0]=4 53 B5R0.1 C[C@@H](N)CCC AK608015 [0,2,0,0,0,0|2,0,0]=4 54 B5R0.1 C[C@@H](N)CCO AK-41725 [0,2,0,0,0,0|2,0,0]=4 55 B5R0.1 C[C@@H](N)COC AK-72611 [0,2,0,0,0,0|1,1,0]=4 56 B5R0.1 C[C@@H](O)CCO AK-86774 [0,2,0,0,0,0|2,0,0]=4 57 B5R0.1 C[C@H](N)CCC AK171191 [0,2,0,0,0,0|2,0,0]=4 58 B5R0.1 C[C@H](N)CCO AK-41726 [0,2,0,0,0,0|2,0,0]=4 59 B5R0.1 O=C(N)CSC AK-34209 [0,2,0,0,0,0|1,0,1]=4 60 B5R0.3 CCC(CN)=O AK-38468 [0,2,0,0,0,0|2,0,0]=4 61 B5R0.3 CCC(CO)=O AK149491 [0,2,0,0,0,0|2,0,0]=4 62 B5R0.3 CCC(N)CO AK-57405 [0,2,0,0,0,0|2,0,0]=4 63 B5R0.3 CC[C@@H](O)CO AK110229 [0,2,0,0,0,0|2,0,0]=4 64 B5R0.3 CC[C@H](N)CO AK-86460 [0,2,0,0,0,0|2,0,0]=4 65 B5R0.3 CC[C@H](O)CO AK110230 [0,2,0,0,0,0|2,0,0]=4 66 B5R0.3 CNC(=O)CCl AK-82796 [0,2,0,0,0,0|2,0,0]=4 67 B5R0.3 C[C@@H](OC)CN AK153940 [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 O=C(OC)CO AK-98661 [0,2,0,0,0,0|1,1,0]=4 70 B5R0.4 CS(=O)(OC)=O AK114353 [0,2,0,0,0,0|0,1,1]=4 71 B5R0.4 C[S](=O)(=O)NC AK-44250 [0,2,0,0,0,0|1,0,1]=4 72 B5R0.2 C(CCN)CN AK-46742 [0,2,0,0,0,0|2,0,0]=4 73 B5R0.2 CNOCCN AK155896 [0,2,0,0,0,0|1,1,0]=4 74 B5R0.2 ClCCCCBr AK105174 [0,2,0,0,0,0|2,0,0]=4 75 B5R0.2 ICCCCCl AK116716 [0,2,0,0,0,0|2,0,0]=4 76 B5R0.2 ICCCCI AK112667 [0,2,0,0,0,0|2,0,0]=4 77 B5R0.2 N#CCCNC AK116969 [0,2,0,0,0,0|2,0,0]=4 78 B5R0.2 N#CCCOC AK-46138 [0,2,0,0,0,0|1,1,0]=4 79 B5R0.2 NCCCCBr AK-51681 [0,2,0,0,0,0|2,0,0]=4 80 B5R0.2 NOCCCC AK-85835 [0,2,0,0,0,0|2,0,0]=4 81 B5R0.2 OCCCCN AK-58038 [0,2,0,0,0,0|2,0,0]=4 82 B5R0.2 OCCCNC AK112615 [0,2,0,0,0,0|2,0,0]=4 83 B5R1.2 FC1CNC1 AK-35869 [0,1,0,1,0,0|2,0,0]=4 84 B5R1.2 IC1COC1 AK115961 [0,1,0,1,0,0|1,1,0]=4 85 B5R1.2 NC1CNC1 AK-32674 [0,1,0,1,0,0|2,0,0]=4 86 B5R1.2 NC1COC1 AK-49035 [0,1,0,1,0,0|1,1,0]=4 87 B5R1.2 NC1COC1 AK122281 [0,1,0,1,0,0|1,1,0]=4 88 B5R1.2 O=C1CSC1 AK-41121 [0,1,0,1,0,0|1,0,1]=4 89 B5R1.2 O=C1NCC1 AK-36897 [0,1,0,1,0,0|2,0,0]=4 90 B5R1.2 OC1CNC1 AK-25536 [0,1,0,1,0,0|2,0,0]=4 91 B5R1.2 OC1COC1 AK-32210 [0,1,0,1,0,0|1,1,0]=4 92 B5R1.3 CNC1CC1 AK-50625 [0,1,0,1,0,0|2,0,0]=4 93 B5R1.5 NC1(C)CC1 AK-51148 [0,1,0,1,0,0|2,0,0]=4 94 B5R1.1 N1CC=CC1 AK-35945 [0,1,0,1,0,0|2,0,0]=4 95 B5R1.1 S1CNCC1 AK340267 [0,1,0,1,0,0|1,0,0]=3