0 B4R0.2 BrCCNC AK153488 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 C#CCCN AK-81795 [0,0,0,0,0,0|1,0,2]=3 2 B4R0.2 C(Br)CCN AK-73071 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.2 C=CCCN AK165308 [0,0,0,0,0,0|1,0,2]=3 4 B4R0.2 C=CC[Pd]Cl AK327212 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.2 ClCCNC AK123132 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.2 ICCCI AK126057 [0,0,0,0,0,0|2,0,0]=2 7 B4R0.2 N#CCNC AK-46627 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.2 NCCCCl AK164441 [0,0,0,0,0,0|2,0,0]=2 9 B4R0.2 NNCCC AK-76893 [0,0,0,0,0,0|2,0,0]=2 10 B4R0.2 NNCCO AK-41264 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.2 NOCC=C AK208821 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.2 NOCCN AK-72573 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.2 OCCCBr AK-77055 [0,0,0,0,0,0|1,0,0]=1 14 B3R0.1 C(N)CBr AK-41589 [1,0,0,0,0,0|2,0,0]=3 15 B3R0.1 CCNC AK325076 [1,0,0,0,0,0|1,0,0]=2 16 B3R0.1 CONC AK-41541 [1,0,0,0,0,0|2,0,0]=3 17 B3R0.1 FCCN AK-45730 [1,0,0,0,0,0|2,0,0]=3 18 B3R0.1 NOCC AK-45000 [1,0,0,0,0,0|2,0,0]=3 19 B3R0.1 ONCC AK162979 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.1 C#CCC(O)=O AK106962 [0,1,0,0,0,0|0,0,3]=4 21 B5R0.1 C(C(=O)O)NC AK-47434 [0,1,0,0,0,0|1,0,1]=3 22 B5R0.1 CC#CC(O)=O AK-49957 [0,1,0,0,0,0|0,0,3]=4 23 B5R0.1 CC(N)CCO AK-81869 [0,1,0,0,0,0|0,0,0]=1 24 B5R0.1 CCCB(O)O AK-47948 [0,1,0,0,0,0|1,0,0]=2 25 B5R0.1 CN(CCBr)C AK-35597 [0,1,0,0,0,0|2,0,0]=3 26 B5R0.1 CNCC(N)=O AK-90265 [0,1,0,0,0,0|1,0,2]=4 27 B5R0.1 C[C@@H](N)CC#N AK203337 [0,1,0,0,0,0|1,0,1]=3 28 B5R0.1 C[C@@H](N)CCC AK608015 [0,1,0,0,0,0|1,0,0]=2 29 B5R0.1 C[C@@H](N)CCO AK-41725 [0,1,0,0,0,0|0,0,0]=1 30 B5R0.1 C[C@@H](N)COC AK-72611 [0,1,0,0,0,0|2,0,0]=3 31 B5R0.1 C[C@@H](O)CCO AK-86774 [0,1,0,0,0,0|0,0,0]=1 32 B5R0.1 C[C@H](N)CC#N AK173140 [0,1,0,0,0,0|1,0,1]=3 33 B5R0.1 C[C@H](N)CCC AK171191 [0,1,0,0,0,0|1,0,0]=2 34 B5R0.1 C[C@H](N)CCO AK-41726 [0,1,0,0,0,0|0,0,0]=1 35 B5R0.1 N=C(N)COC AK-86295 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.1 NCCC(N)=O AK-26218 [0,1,0,0,0,0|1,0,2]=4 37 B5R0.1 NCCC(O)=O AK-41261 [0,1,0,0,0,0|1,0,1]=3 38 B5R0.1 NOCC(C)=C AK550273 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.1 NOCC(C)C AK-83418 [0,1,0,0,0,0|2,0,0]=3 40 B5R0.1 O=C(N)CSC AK-34209 [0,1,0,0,0,0|1,0,2]=4 41 B5R0.1 O=CCN(C)C AK136086 [0,1,0,0,0,0|1,0,2]=4 42 B5R0.1 O=CCN(C)C AK172998 [0,1,0,0,0,0|1,0,2]=4 43 B5R0.1 O=P(CCN)O AK477259 [0,1,0,0,0,0|2,0,0]=3 44 B5R0.1 [O+](=C(N)N)CC AK-50388 [0,1,0,0,0,0|2,0,1]=4 45 B5R0.2 BrCCCC#N AK110352 [0,1,0,0,0,0|1,0,1]=3 46 B5R0.2 C(CCN)CN AK-46742 [0,1,0,0,0,0|1,0,0]=2 47 B5R0.2 C=CCCCO AK325629 [0,1,0,0,0,0|0,0,1]=2 48 B5R0.2 CNOCCN AK155896 [0,1,0,0,0,0|2,0,0]=3 49 B5R0.2 ClCCCCBr AK105174 [0,1,0,0,0,0|1,0,0]=2 50 B5R0.2 ICCCCCl AK116716 [0,1,0,0,0,0|1,0,0]=2 51 B5R0.2 ICCCCI AK112667 [0,1,0,0,0,0|1,0,0]=2 52 B5R0.2 N#CCCNC AK116969 [0,1,0,0,0,0|1,0,1]=3 53 B5R0.2 N#CCCNN AK129289 [0,1,0,0,0,0|2,0,1]=4 54 B5R0.2 N#CCCOC AK-46138 [0,1,0,0,0,0|1,0,1]=3 55 B5R0.2 NCCCCBr AK-51681 [0,1,0,0,0,0|1,0,0]=2 56 B5R0.2 NOCCCC AK-85835 [0,1,0,0,0,0|0,0,0]=1 57 B5R0.2 OCCCCN AK-58038 [0,1,0,0,0,0|0,0,0]=1 58 B5R0.2 OCCCNC AK112615 [0,1,0,0,0,0|0,0,0]=1 59 B5R0.3 BrCC(=C)CBr AK101659 [0,1,0,0,0,0|2,0,1]=4 60 B5R0.3 C(C(CN)O)N AK-49066 [0,1,0,0,0,0|2,0,0]=3 61 B5R0.3 C(C(CO)=C)O AK-73078 [0,1,0,0,0,0|1,0,1]=3 62 B5R0.3 C=C[C@H](N)CO AK-78923 [0,1,0,0,0,0|0,0,2]=3 63 B5R0.3 CC(CCl)CBr AK112650 [0,1,0,0,0,0|2,0,0]=3 64 B5R0.3 CCC(CN)=O AK-38468 [0,1,0,0,0,0|1,0,1]=3 65 B5R0.3 CCC(CO)=O AK149491 [0,1,0,0,0,0|0,0,1]=2 66 B5R0.3 CCC(N)CO AK-57405 [0,1,0,0,0,0|0,0,0]=1 67 B5R0.3 CC[C@@H](O)CO AK110229 [0,1,0,0,0,0|0,0,0]=1 68 B5R0.3 CC[C@H](N)CO AK-86460 [0,1,0,0,0,0|0,0,0]=1 69 B5R0.3 CC[C@H](O)CO AK110230 [0,1,0,0,0,0|0,0,0]=1 70 B5R0.3 CNC(=O)CCl AK-82796 [0,1,0,0,0,0|2,0,1]=4 71 B5R0.3 C[C@@H](OC)CN AK153940 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.3 NCC(OC)=O AK-43994 [0,1,0,0,0,0|2,0,1]=4 73 B5R0.3 NNC(=O)CO AK-89508 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.3 O=C(CO)CO AK-46682 [0,1,0,0,0,0|1,0,1]=3 75 B5R0.3 O=C(OC)CO AK-98661 [0,1,0,0,0,0|1,0,1]=3 76 B5R0.3 O=C[C@H](O)CO AK122382 [0,1,0,0,0,0|1,0,1]=3 77 B5R0.3 OC(CCl)CN AK123258 [0,1,0,0,0,0|2,0,0]=3 78 B5R0.3 OC[C@@H](O)CN AK-35849 [0,1,0,0,0,0|1,0,0]=2 79 B5R0.3 OC[C@H](O)CN AK-36032 [0,1,0,0,0,0|1,0,0]=2 80 B5R0.3 O[C@H](CCl)CN AK123304 [0,1,0,0,0,0|2,0,0]=3 81 B5R1.1 N1CC=CC1 AK-35945 [0,0,0,1,0,0|1,0,2]=4 82 B5R1.1 S1CNCC1 AK340267 [0,0,0,1,0,0|1,1,0]=3 83 B5R1.2 FC1CNC1 AK-35869 [0,0,0,1,0,0|2,0,0]=3 84 B5R1.2 IC1COC1 AK115961 [0,0,0,1,0,0|2,0,0]=3 85 B5R1.2 NC1CNC1 AK-32674 [0,0,0,1,0,0|2,0,0]=3 86 B5R1.2 NC1COC1 AK-49035 [0,0,0,1,0,0|2,0,0]=3 87 B5R1.2 NC1COC1 AK122281 [0,0,0,1,0,0|2,0,0]=3 88 B5R1.2 O1CC(C1)=O AK-32211 [0,0,0,1,0,0|1,0,2]=4 89 B5R1.2 O=C1CNC1 AK-59488 [0,0,0,1,0,0|1,0,2]=4 90 B5R1.2 O=C1CSC1 AK-41121 [0,0,0,1,0,0|1,0,2]=4 91 B5R1.2 O=C1NCC1 AK-36897 [0,0,0,1,0,0|1,0,2]=4 92 B5R1.2 OC1CNC1 AK-25536 [0,0,0,1,0,0|1,0,0]=2 93 B5R1.2 OC1COC1 AK-32210 [0,0,0,1,0,0|1,0,0]=2 94 B5R1.3 CNC1CC1 AK-50625 [0,0,0,1,0,0|2,0,0]=3 95 B5R1.3 NNC1CC1 AK-77851 [0,0,0,1,0,0|2,0,0]=3 96 B5R1.4 N[C@H]1[C@H](F)C1 AK184204 [0,0,0,1,0,0|2,0,0]=3 97 B5R1.4 N[C@H]1[C@H](N)C1 AK-67653 [0,0,0,1,0,0|2,0,0]=3 98 B2R0.1 CC#N AK-41420 [2,0,0,0,0,0|1,0,1]=4 99 B2R0.1 NNC AK163949 [2,0,0,0,0,0|2,0,0]=4 100 B2R0.1 ONC AK-90069 [2,0,0,0,0,0|1,0,0]=3 101 B4R0.1 C(N)C(=O)C AK-42698 [1,1,0,0,0,0|1,0,1]=4 102 B4R0.1 CC(C)ON AK-81639 [1,1,0,0,0,0|2,0,0]=4 103 B4R0.1 CC(NN)C AK-46728 [1,1,0,0,0,0|2,0,0]=4 104 B4R0.1 CCB(O)O AK-25979 [1,1,0,0,0,0|1,0,0]=3 105 B4R0.1 CCC(N)=N AK-48186 [1,1,0,0,0,0|1,0,1]=4 106 B4R0.1 C[C@@H](N)CO AK-46726 [1,1,0,0,0,0|0,0,0]=2 107 B4R0.1 C[C@@H](O)CCl AK-73033 [1,1,0,0,0,0|1,0,0]=3 108 B4R0.1 C[C@@H](O)CN AK-76466 [1,1,0,0,0,0|1,0,0]=3 109 B4R0.1 C[C@@H](O)CO AK158454 [1,1,0,0,0,0|0,0,0]=2 110 B4R0.1 C[C@H](N)C#C AK167739 [1,1,0,0,0,0|0,0,2]=4 111 B4R0.1 C[C@H](N)CN AK-51561 [1,1,0,0,0,0|1,0,0]=3 112 B4R0.1 C[C@H](O)CN AK-72977 [1,1,0,0,0,0|1,0,0]=3 113 B4R0.1 C[C@H](O)CO AK111153 [1,1,0,0,0,0|0,0,0]=2 114 B4R0.1 C\C(N)=N\O AK-91616 [1,1,0,0,0,0|1,0,1]=4 115 B4R0.1 N=C(N)CO AK-40243 [1,1,0,0,0,0|1,0,1]=4 116 B4R0.1 NC(C)CO AK-46466 [1,1,0,0,0,0|0,0,0]=2 117 B4R0.1 O=C(O)CN AK-77854 [1,1,0,0,0,0|1,0,1]=4 118 B4R0.1 ONC(C)C AK117015 [1,1,0,0,0,0|1,0,0]=3 119 B6R0.1 C#C\C(C)=C/CO AK116959 [0,2,0,0,0,0|0,0,2]=4 120 B6R0.1 C=CC[C@@H](N)CO AK684514 [0,2,0,0,0,0|0,0,1]=3 121 B6R0.1 CCCC(NN)=O AK-95909 [0,2,0,0,0,0|0,0,2]=4 122 B6R0.1 CCC[C@H](N)CO AK-81386 [0,2,0,0,0,0|0,0,0]=2 123 B6R0.1 N#CC[C@H](O)CCl AK-33074 [0,2,0,0,0,0|1,0,1]=4 124 B6R0.1 O=C(NCC)CN AK-65785 [0,2,0,0,0,0|1,0,1]=4 125 B6R0.1 O=C(OC)CCBr AK-91613 [0,2,0,0,0,0|1,0,1]=4 126 B6R0.1 O=C(OC)CCN AK-46776 [0,2,0,0,0,0|1,0,1]=4 127 B6R0.1 O=C(OC)CCO AK-83355 [0,2,0,0,0,0|0,0,1]=3 128 B6R0.1 O=C(OC)CNC AK-58375 [0,2,0,0,0,0|1,0,1]=4 129 B6R0.1 O=C(OC)OCC AK397345 [0,2,0,0,0,0|1,0,1]=4 130 B6R0.1 O=C(OCC)CO AK-98662 [0,2,0,0,0,0|0,0,1]=3 131 B6R0.1 OCC(O)CNC AK-68394 [0,2,0,0,0,0|0,0,0]=2 132 B6R0.2 C(C(=O)O)N(C)C AK-41194 [0,2,0,0,0,0|1,0,1]=4 133 B6R0.2 CC(C)CB(O)O AK-26354 [0,2,0,0,0,0|1,0,0]=3 134 B6R0.2 CC(C)NC(C)C AK101661 [0,2,0,0,0,0|2,0,0]=4 135 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [0,2,0,0,0,0|0,0,1]=3 136 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [0,2,0,0,0,0|0,0,1]=3 137 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [0,2,0,0,0,0|0,0,1]=3 138 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [0,2,0,0,0,0|0,0,2]=4 139 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [0,2,0,0,0,0|0,0,1]=3 140 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [0,2,0,0,0,0|0,0,1]=3 141 B6R0.2 NC(C)CC(C)C AK205814 [0,2,0,0,0,0|1,0,0]=3 142 B6R0.3 C(=O)([C@H](N)CS)O AK-51501 [0,2,0,0,0,0|1,0,1]=4 143 B6R0.3 C(C(C(C)C)N)O AK-46643 [0,2,0,0,0,0|0,0,0]=2 144 B6R0.3 C(C(C(O)=O)N)O AK-46543 [0,2,0,0,0,0|1,0,1]=4 145 B6R0.3 C(C(N)C(O)=O)C AK-46591 [0,2,0,0,0,0|0,0,1]=3 146 B6R0.3 C(S)C(N)C(O)=O AK-73021 [0,2,0,0,0,0|1,0,1]=4 147 B6R0.3 CC(C)C(N)CO AK-62680 [0,2,0,0,0,0|0,0,0]=2 148 B6R0.3 CC(C)\C(N)=N\O AK117017 [0,2,0,0,0,0|1,0,1]=4 149 B6R0.3 CCC(=O)C(O)=O AK-48379 [0,2,0,0,0,0|0,0,2]=4 150 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [0,2,0,0,0,0|0,0,1]=3 151 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [0,2,0,0,0,0|0,0,1]=3 152 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [0,2,0,0,0,0|0,0,2]=4 153 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [0,2,0,0,0,0|0,0,1]=3 154 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [0,2,0,0,0,0|0,0,1]=3 155 B6R0.3 COC(C)C(O)=O AK-49797 [0,2,0,0,0,0|1,0,1]=4 156 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [0,2,0,0,0,0|1,0,1]=4 157 B6R0.3 C[C@@H](O)[C@H](N)CO AK-61256 [0,2,0,0,0,0|0,0,0]=2 158 B6R0.3 C[C@H](NC)C(O)=O AK134597 [0,2,0,0,0,0|1,0,1]=4 159 B6R0.3 C[C@H](O)[C@@H](N)CO AK-81264 [0,2,0,0,0,0|0,0,0]=2 160 B6R0.3 C[C@H](OC)C(O)=O AK167072 [0,2,0,0,0,0|1,0,1]=4 161 B6R0.3 NC(CO)C(O)=O AK-41368 [0,2,0,0,0,0|1,0,1]=4 162 B6R0.3 N[C@@H](CO)C(N)=O AK-81285 [0,2,0,0,0,0|1,0,1]=4 163 B6R0.3 N[C@@H](CS)C(O)=O AK-48312 [0,2,0,0,0,0|1,0,1]=4 164 B6R0.3 N[C@@H](CS)C(O)=O AK-49861 [0,2,0,0,0,0|1,0,1]=4 165 B6R0.3 N[C@H](CN)C(O)=O AK-31407 [0,2,0,0,0,0|1,0,1]=4 166 B6R0.3 O=C(O)C(C)CBr AK116257 [0,2,0,0,0,0|1,0,1]=4 167 B6R0.3 O=C(O)C(N)CN AK-44800 [0,2,0,0,0,0|1,0,1]=4 168 B6R0.3 O=C(O)C(O)CO AK114312 [0,2,0,0,0,0|1,0,1]=4 169 B6R0.3 O=C(O)[C@@H](N)CN AK-25439 [0,2,0,0,0,0|1,0,1]=4 170 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [0,2,0,0,0,0|1,0,1]=4 171 B6R0.3 O=C(O)[C@@H](N)CS AK-61915 [0,2,0,0,0,0|1,0,1]=4 172 B6R0.3 O=C(O)[C@@H](O)CN AK-75855 [0,2,0,0,0,0|1,0,1]=4 173 B6R0.3 O=C(O)[C@H](N)CCl AK-90315 [0,2,0,0,0,0|1,0,1]=4 174 B6R0.3 O=C(O)[C@H](N)CCl AK122809 [0,2,0,0,0,0|1,0,1]=4 175 B6R0.3 O=C(O)[C@H](N)CS AK175126 [0,2,0,0,0,0|1,0,1]=4 176 B6R0.3 [C@@H](N)(C(C)C)CO AK-46511 [0,2,0,0,0,0|0,0,0]=2 177 B6R0.4 CC(C)NCCCl AK110294 [0,2,0,0,0,0|1,0,0]=3 178 B6R0.4 CC(C)OCCBr AK110255 [0,2,0,0,0,0|1,0,0]=3 179 B6R0.4 CC(CCCCl)=O AK-48368 [0,2,0,0,0,0|1,0,0]=3 180 B6R0.4 CC(OCCBr)=O AK165045 [0,2,0,0,0,0|1,0,1]=4 181 B6R0.4 CCCCB(O)O AK-44016 [0,2,0,0,0,0|0,0,0]=2 182 B6R0.4 CCCCC([O-])=O AK163205 [0,2,0,0,0,0|0,0,1]=3 183 B6R0.4 CN(C)CCCBr AK-35747 [0,2,0,0,0,0|1,0,0]=3 184 B6R0.4 CN(C)CCCCl AK-25287 [0,2,0,0,0,0|1,0,0]=3 185 B6R0.4 CN(C)CCCCl AK113440 [0,2,0,0,0,0|1,0,0]=3 186 B6R0.4 CN(CCNC)C AK-64867 [0,2,0,0,0,0|2,0,0]=4 187 B6R0.4 NC(OCCC)=O AK116320 [0,2,0,0,0,0|0,0,2]=4 188 B6R0.4 O=C(N)NCCO AK121931 [0,2,0,0,0,0|1,0,1]=4 189 B6R0.4 O=C(O)CCC#N AK-47909 [0,2,0,0,0,0|0,0,2]=4 190 B6R0.4 O=C(O)CCCCl AK113749 [0,2,0,0,0,0|0,0,1]=3 191 B6R0.4 O=C(O)CCCN AK-43987 [0,2,0,0,0,0|0,0,1]=3 192 B6R0.4 O=C(O)CCNC AK155866 [0,2,0,0,0,0|0,0,1]=3 193 B6R0.4 O=C(O)CCOC AK-88477 [0,2,0,0,0,0|0,0,1]=3 194 B6R0.4 OC(=O)CCC#C AK-32594 [0,2,0,0,0,0|0,0,2]=4 195 B6R0.4 OCNCC(=O)[O-] AK-79027 [0,2,0,0,0,0|1,0,1]=4 196 B6R0.5 BrCCP(O)(O)=O AK113299 [0,2,0,0,0,0|2,0,0]=4 197 B6R0.5 CC(C)(N)CCO AK146046 [0,2,0,0,0,0|0,0,0]=2 198 B6R0.5 CCCS(=O)(N)=O AK113525 [0,2,0,0,0,0|1,0,1]=4 199 B6R0.5 ClCC[N+](C)(C)C AK115994 [0,2,0,0,0,0|2,0,0]=4 200 B6R0.5 FC(F)(F)CNC AK-91073 [0,2,0,0,0,0|2,0,0]=4 201 B6R0.5 NCCP(O)(O)=O AK113300 [0,2,0,0,0,0|2,0,0]=4 202 B6R0.5 NCC[S](=O)(=O)C AK-39784 [0,2,0,0,0,0|2,0,0]=4 203 B6R0.6 BrCCCCCBr AK134932 [0,2,0,0,0,0|1,0,0]=3 204 B6R0.6 BrCCNCCBr AK-72773 [0,2,0,0,0,0|1,0,0]=3 205 B6R0.6 C(CCO)CCBr AK-72934 [0,2,0,0,0,0|0,0,0]=2 206 B6R0.6 C=CCCCCBr AK-48086 [0,2,0,0,0,0|1,0,0]=3 207 B6R0.6 CCCNCCO AK-60790 [0,2,0,0,0,0|0,0,0]=2 208 B6R0.6 C\C=C\CCCO AK-46431 [0,2,0,0,0,0|0,0,0]=2 209 B6R0.6 ClCCCCC=O AK110863 [0,2,0,0,0,0|0,0,1]=3 210 B6R0.6 ClCCNCCCl AK-44109 [0,2,0,0,0,0|1,0,0]=3 211 B6R0.6 ClCCOCCO AK114565 [0,2,0,0,0,0|0,0,0]=2 212 B6R0.6 FCCCCCBr AK-48229 [0,2,0,0,0,0|1,0,0]=3 213 B6R0.6 O=CCCCCO AK-40206 [0,2,0,0,0,0|0,0,0]=2 214 B6R0.6 OCCCCNC AK112657 [0,2,0,0,0,0|0,0,0]=2 215 B6R0.8 C#CC(N)(C)CC AK-78920 [0,2,0,0,0,0|1,0,1]=4 216 B6R0.8 CC(NC)(C)CO AK-82110 [0,2,0,0,0,0|1,0,0]=3 217 B6R0.8 CCC(C)(N)C#N AK119556 [0,2,0,0,0,0|1,0,1]=4 218 B6R0.8 COC(C)(C)CN AK-50222 [0,2,0,0,0,0|2,0,0]=4 219 B6R0.8 N#CC(C)(C)CO AK109218 [0,2,0,0,0,0|1,0,1]=4 220 B6R0.8 OCC(C)(C)CO AK109182 [0,2,0,0,0,0|1,0,0]=3 221 B6R0.8 OCC(F)(F)CN AK175624 [0,2,0,0,0,0|1,0,0]=3 222 B6R0.9 OCC(CO)CO AK-81647 [0,2,0,0,0,0|1,0,0]=3 223 B4R1.1 N1CCC1 AK-23880 [1,0,0,1,0,0|1,0,0]=3 224 B6R1.2 C1C(COC1)O AK-46125 [0,1,0,1,0,0|0,0,0]=2 225 B6R1.2 CC1CNCC1 AK-46149 [0,1,0,1,0,0|1,0,0]=3 226 B6R1.2 C[C@@H]1CCCN1 AK-28779 [0,1,0,1,0,0|1,0,0]=3 227 B6R1.2 C[C@@H]1CNCC1 AK-45142 [0,1,0,1,0,0|1,0,0]=3 228 B6R1.2 FC1CNCC1 AK-38962 [0,1,0,1,0,0|1,0,0]=3 229 B6R1.2 F[C@@H]1CCNC1 AK-30244 [0,1,0,1,0,0|1,0,0]=3 230 B6R1.2 F[C@H]1CCNC1 AK-32303 [0,1,0,1,0,0|1,0,0]=3 231 B6R1.2 IC1COCC1 AK162325 [0,1,0,1,0,0|0,0,0]=2 232 B6R1.2 I[C@H]1COCC1 AK170642 [0,1,0,1,0,0|0,0,0]=2 233 B6R1.2 N1CCC(O)C1 AK-27184 [0,1,0,1,0,0|0,0,0]=2 234 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [0,1,0,1,0,0|1,0,0]=3 235 B6R1.2 NC1=NCCC1 AK-81762 [0,1,0,1,0,0|1,0,1]=4 236 B6R1.2 NC1CC=CC1 AK-44792 [0,1,0,1,0,0|1,0,1]=4 237 B6R1.2 NC1CNCC1 AK-24781 [0,1,0,1,0,0|1,0,0]=3 238 B6R1.2 NC1COCC1 AK-25569 [0,1,0,1,0,0|0,0,0]=2 239 B6R1.2 N[C@@H]1CNCC1 AK-46300 [0,1,0,1,0,0|1,0,0]=3 240 B6R1.2 N[C@@H]1COCC1 AK-32266 [0,1,0,1,0,0|0,0,0]=2 241 B6R1.2 N[C@H]1CNCC1 AK-47751 [0,1,0,1,0,0|1,0,0]=3 242 B6R1.2 N[C@H]1CNCC1 AK-80471 [0,1,0,1,0,0|1,0,0]=3 243 B6R1.2 O1CC[C@H](C1)N AK-32944 [0,1,0,1,0,0|0,0,0]=2 244 B6R1.2 O=C1CCNC1 AK-46584 [0,1,0,1,0,0|0,0,2]=4 245 B6R1.2 O=C1CCOC1 AK-27035 [0,1,0,1,0,0|0,0,1]=3 246 B6R1.2 O=C1CSCC1 AK-40135 [0,1,0,1,0,0|0,0,2]=4 247 B6R1.2 O=C1NOCC1 AK122832 [0,1,0,1,0,0|1,0,1]=4 248 B6R1.2 O=C1OCCN1 AK-94050 [0,1,0,1,0,0|1,0,1]=4 249 B6R1.2 O=C1OCCO1 AK101077 [0,1,0,1,0,0|1,0,1]=4 250 B6R1.2 OC1CNCC1 AK-53403 [0,1,0,1,0,0|0,0,0]=2 251 B6R1.2 OC1CNCC1 AK134933 [0,1,0,1,0,0|0,0,0]=2 252 B6R1.2 O[C@@H]1CCNC1 AK-32737 [0,1,0,1,0,0|0,0,0]=2 253 B6R1.2 O[C@@H]1CCOC1 AK-36591 [0,1,0,1,0,0|0,0,0]=2 254 B6R1.2 O[C@@H]1CNCC1 AK-32613 [0,1,0,1,0,0|0,0,0]=2 255 B6R1.2 O[C@@H]1CNCC1 AK-33013 [0,1,0,1,0,0|0,0,0]=2 256 B6R1.2 O[C@H]1CCOC1 AK-36590 [0,1,0,1,0,0|0,0,0]=2 257 B6R1.2 O[C@H]1CNCC1 AK-25701 [0,1,0,1,0,0|0,0,0]=2 258 B6R1.3 NCCC1CC1 AK-88169 [0,1,0,1,0,0|1,0,0]=3 259 B6R1.3 NOCC1CC1 AK110167 [0,1,0,1,0,0|0,0,0]=2 260 B6R1.3 OCCN1CC1 AK-85970 [0,1,0,1,0,0|0,0,0]=2 261 B6R1.5 NC1CC(=O)C1 AK-41683 [0,1,0,1,0,0|0,0,2]=4 262 B6R1.5 NC1CC(C)C1 AK131965 [0,1,0,1,0,0|1,0,0]=3 263 B6R1.5 O[C@H]1C[C@@H](N)C1 AK-39775 [0,1,0,1,0,0|0,0,0]=2 264 B6R1.5 O[C@H]1C[C@H](N)C1 AK-76970 [0,1,0,1,0,0|0,0,0]=2 265 B6R1.10 CC1(C)CNC1 AK139188 [0,1,0,1,0,0|2,0,0]=4 266 B6R1.10 FC1(CNC1)F AK-39786 [0,1,0,1,0,0|2,0,0]=4 267 B6R1.10 NC1(C)CCC1 AK117597 [0,1,0,1,0,0|1,0,0]=3 268 B6R1.10 NC1(C)COC1 AK-57022 [0,1,0,1,0,0|2,0,0]=4 269 B6R1.10 OC1(C)CNC1 AK142848 [0,1,0,1,0,0|1,0,0]=3 270 B6R1.10 OC1(C)COC1 AK112914 [0,1,0,1,0,0|1,0,0]=3 271 B6R1.11 CC(N)C1CC1 AK-59911 [0,1,0,1,0,0|1,0,0]=3 272 B6R1.11 C[C@H](N)C1CC1 AK166914 [0,1,0,1,0,0|1,0,0]=3 273 B6R1.11 N=C(C1CC1)N AK-61863 [0,1,0,1,0,0|1,0,1]=4 274 B6R1.11 OB(C1CC1)O AK-25947 [0,1,0,1,0,0|1,0,0]=3 275 B6R1.1 C1CC=CCN1 AK-91689 [0,1,0,1,0,0|1,0,1]=4 276 B6R1.1 C1CCNNC1 AK-81490 [0,1,0,1,0,0|1,0,0]=3 277 B6R1.1 C1CSCCN1 AK110355 [0,1,0,1,0,0|0,1,0]=3 278 B6R1.1 N1CCOCC1 AK116221 [0,1,0,1,0,0|0,0,0]=2 279 B6R1.1 O1CNCCC1 AK-82623 [0,1,0,1,0,0|0,0,0]=2 280 B6R1.1 O1NCCCC1 AK156568 [0,1,0,1,0,0|0,0,0]=2 281 B6R1.1 [NH2+]1CCCCC1 AK-41004 [0,1,0,1,0,0|1,0,0]=3 282 B6R1.1 [NH2+]1CCCCC1 AK-97257 [0,1,0,1,0,0|1,0,0]=3 283 B6R1.6 CNC1CCC1 AK157567 [0,1,0,1,0,0|1,0,0]=3 284 B6R1.6 CNC1CNC1 AK158168 [0,1,0,1,0,0|2,0,0]=4 285 B6R1.6 COC1CNC1 AK-30498 [0,1,0,1,0,0|1,0,0]=3 286 B6R1.6 N#CC1CNC1 AK-49711 [0,1,0,1,0,0|1,0,1]=4 287 B6R1.6 N1CC(C1)CO AK-38948 [0,1,0,1,0,0|0,0,0]=2 288 B6R1.6 NCC1CCC1 AK-40089 [0,1,0,1,0,0|1,0,0]=3 289 B6R1.6 NCC1CNC1 AK-39033 [0,1,0,1,0,0|1,0,0]=3 290 B6R1.6 NNC1CCC1 AK-51694 [0,1,0,1,0,0|1,0,0]=3 291 B6R1.6 O1CC(C1)CN AK-41045 [0,1,0,1,0,0|1,0,0]=3 292 B6R1.6 OCC1CCO1 AK-64713 [0,1,0,1,0,0|0,0,0]=2 293 B6R1.6 OCC1COC1 AK-43870 [0,1,0,1,0,0|0,0,0]=2 294 B6R1.6 OC[C@H]1NCC1 AK-59466 [0,1,0,1,0,0|0,0,0]=2 295 B6R1.7 NC1(CC1)C#N AK-24893 [0,1,0,1,0,0|1,0,1]=4 296 B6R1.7 NCC1(C)CC1 AK159118 [0,1,0,1,0,0|1,0,0]=3 297 B6R1.7 OC1(CN)CC1 AK-77569 [0,1,0,1,0,0|1,0,0]=3 298 B6R1.7 OCC1(N)CC1 AK-32789 [0,1,0,1,0,0|0,0,0]=2