0 B4R0.1 C(N)C(=O)C AK-42698 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.1 C=CC([O-])=O AK160082 [0,0,0,0,0,0|0,0,3]=3 2 B4R0.1 CC(NN)=N AK114707 [0,0,0,0,0,0|4,0,0]=4 3 B4R0.1 CCB(O)O AK-25979 [0,0,0,0,0,0|1,0,1]=2 4 B4R0.1 CCC(N)=N AK-48186 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 C[C@@H](N)CO AK-46726 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 C[C@@H](O)CCl AK-73033 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 C[C@@H](O)CN AK-76466 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 C[C@@H](O)CO AK158454 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 C[C@H](N)CN AK-51561 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 C[C@H](O)CN AK-72977 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 C[C@H](O)CO AK111153 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 C\C(N)=N\O AK-91616 [0,0,0,0,0,0|4,0,0]=4 13 B4R0.1 N=C(N)CCl AK113548 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.1 N=C(N)CO AK-40243 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 N=C(N)OC AK-48234 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 N=C(N)SC AK-44125 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 NC(=O)CI AK110349 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.1 NC(C)CO AK-46466 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 NC(NC)=N AK-73103 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 NC(OC)=N AK116935 [0,0,0,0,0,0|3,0,0]=3 21 B4R0.1 NCC(N)=O AK-41459 [0,0,0,0,0,0|2,0,0]=2 22 B4R0.1 NNC(N)=N AK140136 [0,0,0,0,0,0|4,0,0]=4 23 B4R0.1 O=C(N)CBr AK-50036 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 O=C(N)NO AK128930 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 O=C(O)CN AK-77854 [0,0,0,0,0,0|1,0,0]=1 26 B4R0.1 O=C([O-])CN AK114167 [0,0,0,0,0,0|1,0,1]=2 27 B4R0.1 ON=C(Br)Br AK-21976 [0,0,0,0,0,0|4,0,0]=4 28 B3R0.1 C(N)CBr AK-41589 [1,0,0,0,0,0|2,0,1]=4 29 B3R0.1 CCNC AK325076 [1,0,0,0,0,0|2,0,0]=3 30 B3R0.1 CONC AK-41541 [1,0,0,0,0,0|3,0,0]=4 31 B3R0.1 FCCN AK-45730 [1,0,0,0,0,0|2,0,1]=4 32 B3R0.1 NOCC AK-45000 [1,0,0,0,0,0|2,0,0]=3 33 B3R0.1 ONCC AK162979 [1,0,0,0,0,0|1,0,0]=2 34 B3R0.2 CB(O)O AK-47269 [1,0,0,0,0,0|1,0,1]=3 35 B3R0.2 CC(N)=O AK-97258 [1,0,0,0,0,0|1,0,0]=2 36 B3R0.2 CC(O)=O AK-76644 [1,0,0,0,0,0|0,0,0]=1 37 B3R0.2 CC(O)=O AK111414 [1,0,0,0,0,0|0,0,0]=1 38 B3R0.2 CC([O-])=O AK-98692 [1,0,0,0,0,0|0,0,1]=2 39 B3R0.2 N=C(Cl)N AK397383 [1,0,0,0,0,0|3,0,0]=4 40 B3R0.2 NC([S-])=S AK554464 [1,0,0,0,0,0|1,2,0]=4 41 B3R0.2 [O-]C([O-])=O AK106969 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.1 C#CCC(O)=O AK106962 [0,1,0,0,0,0|0,0,1]=2 43 B5R0.1 C(C#N)C(N)=O AK-73131 [0,1,0,0,0,0|1,0,1]=3 44 B5R0.1 C(C(=O)O)NC AK-47434 [0,1,0,0,0,0|0,0,0]=1 45 B5R0.1 CC#CC(O)=O AK-49957 [0,1,0,0,0,0|0,0,1]=2 46 B5R0.1 CC(N)CCO AK-81869 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.1 CCCB(O)O AK-47948 [0,1,0,0,0,0|1,0,1]=3 48 B5R0.1 CN(CCBr)C AK-35597 [0,1,0,0,0,0|3,0,0]=4 49 B5R0.1 CNCC(N)=O AK-90265 [0,1,0,0,0,0|1,0,0]=2 50 B5R0.1 C[C@@H](N)CCC AK608015 [0,1,0,0,0,0|2,0,1]=4 51 B5R0.1 C[C@@H](N)CCO AK-41725 [0,1,0,0,0,0|2,0,1]=4 52 B5R0.1 C[C@@H](N)COC AK-72611 [0,1,0,0,0,0|2,0,1]=4 53 B5R0.1 C[C@@H](O)CCO AK-86774 [0,1,0,0,0,0|1,0,1]=3 54 B5R0.1 C[C@H](N)CCC AK171191 [0,1,0,0,0,0|2,0,1]=4 55 B5R0.1 C[C@H](N)CCO AK-41726 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.1 N=C(N)COC AK-86295 [0,1,0,0,0,0|2,0,0]=3 57 B5R0.1 NCCC(N)=O AK-26218 [0,1,0,0,0,0|1,0,0]=2 58 B5R0.1 NCCC(O)=O AK-41261 [0,1,0,0,0,0|0,0,0]=1 59 B5R0.1 NOCC(C)=C AK550273 [0,1,0,0,0,0|3,0,0]=4 60 B5R0.1 O=C(N)CSC AK-34209 [0,1,0,0,0,0|1,0,0]=2 61 B5R0.1 O=P(CCN)O AK477259 [0,1,0,0,0,0|1,0,0]=2 62 B5R0.1 [O+](=C(N)N)CC AK-50388 [0,1,0,0,0,0|2,0,0]=3 63 B5R0.3 BrCC(=C)CBr AK101659 [0,1,0,0,0,0|3,0,0]=4 64 B5R0.3 C(C(CN)O)N AK-49066 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.3 C(C(CO)=C)O AK-73078 [0,1,0,0,0,0|2,0,0]=3 66 B5R0.3 C=CC(NC)=O AK115593 [0,1,0,0,0,0|2,0,0]=3 67 B5R0.3 CCC(CN)=O AK-38468 [0,1,0,0,0,0|1,0,0]=2 68 B5R0.3 CCC(CO)=O AK149491 [0,1,0,0,0,0|0,0,0]=1 69 B5R0.3 CCC(N)CO AK-57405 [0,1,0,0,0,0|1,0,1]=3 70 B5R0.3 CC[C@@H](O)CO AK110229 [0,1,0,0,0,0|0,0,2]=3 71 B5R0.3 CC[C@H](N)CO AK-86460 [0,1,0,0,0,0|1,0,1]=3 72 B5R0.3 CC[C@H](O)CO AK110230 [0,1,0,0,0,0|0,0,2]=3 73 B5R0.3 CNC(=O)CCl AK-82796 [0,1,0,0,0,0|2,0,0]=3 74 B5R0.3 C[C@@H](OC)CN AK153940 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.3 NCC(OC)=O AK-43994 [0,1,0,0,0,0|1,0,0]=2 76 B5R0.3 NNC(=O)CO AK-89508 [0,1,0,0,0,0|2,0,0]=3 77 B5R0.3 NNC(OC)=O AK109362 [0,1,0,0,0,0|2,0,0]=3 78 B5R0.3 O=C(CO)CO AK-46682 [0,1,0,0,0,0|1,0,0]=2 79 B5R0.3 O=C(OC)CO AK-98661 [0,1,0,0,0,0|1,0,0]=2 80 B5R0.3 O=C[C@H](O)CO AK122382 [0,1,0,0,0,0|1,0,1]=3 81 B5R0.3 OC(CCl)CN AK123258 [0,1,0,0,0,0|2,0,1]=4 82 B5R0.3 OC[C@@H](O)CN AK-35849 [0,1,0,0,0,0|1,0,2]=4 83 B5R0.3 OC[C@H](O)CN AK-36032 [0,1,0,0,0,0|1,0,2]=4 84 B5R0.3 O[C@H](CCl)CN AK123304 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.4 C([S](=O)(=O)N)C AK-46734 [0,1,0,0,0,0|1,0,1]=3 86 B5R0.4 CC(O)(C)CN AK-37803 [0,1,0,0,0,0|2,0,1]=4 87 B5R0.4 CC(O)(C)CO AK112021 [0,1,0,0,0,0|2,0,1]=4 88 B5R0.4 CS(=O)(OC)=O AK114353 [0,1,0,0,0,0|2,0,1]=4 89 B5R0.4 C[S](=O)(=O)NC AK-44250 [0,1,0,0,0,0|2,0,1]=4 90 B5R0.4 F[B-](F)(CC)F AK185635 [0,1,0,0,0,0|3,0,0]=4 91 B5R0.4 NCP(O)(O)=O AK384725 [0,1,0,0,0,0|2,0,0]=3 92 B5R0.5 C(C(=O)O)(=O)O AK-40231 [0,1,0,0,0,0|1,0,1]=3 93 B5R0.5 C=C(F)C(O)=O AK107642 [0,1,0,0,0,0|0,0,2]=3 94 B5R0.5 CC(B(O)O)C AK-46096 [0,1,0,0,0,0|1,0,1]=3 95 B5R0.5 CC(C)C(N)=O AK-80490 [0,1,0,0,0,0|1,0,0]=2 96 B5R0.5 CC(O)C([O-])=O AK114515 [0,1,0,0,0,0|0,0,1]=2 97 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [0,1,0,0,0,0|1,0,0]=2 98 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [0,1,0,0,0,0|0,0,0]=1 99 B5R0.5 C[C@H](N)C(N)=O AK-46287 [0,1,0,0,0,0|1,0,0]=2 100 B5R0.5 C[C@H](O)C([O-])=O AK121770 [0,1,0,0,0,0|0,0,1]=2 101 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [0,1,0,0,0,0|1,0,0]=2 102 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [0,1,0,0,0,0|0,0,0]=1 103 B5R0.5 N[C@@H](C)C(O)=O AK650445 [0,1,0,0,0,0|0,0,0]=1 104 B5R0.5 O=C(O)C(O)=O AK116416 [0,1,0,0,0,0|1,0,1]=3 105 B5R0.5 O=C([O-])C(Cl)Cl AK161750 [0,1,0,0,0,0|1,0,1]=3 106 B5R0.5 O=C([O-])C([O-])=O AK112218 [0,1,0,0,0,0|1,0,2]=4 107 B5R1.2 O1CC(C1)=O AK-32211 [0,0,0,1,0,0|2,0,0]=3 108 B5R1.2 O=C1CNC1 AK-59488 [0,0,0,1,0,0|2,0,0]=3 109 B5R1.2 O=C1CSC1 AK-41121 [0,0,0,1,0,0|2,0,0]=3 110 B5R1.2 O=C1NCC1 AK-36897 [0,0,0,1,0,0|1,0,0]=2 111 B5R1.2 OC1CNC1 AK-25536 [0,0,0,1,0,0|2,0,1]=4 112 B5R1.2 OC1COC1 AK-32210 [0,0,0,1,0,0|2,0,1]=4 113 B5R1.5 NC1(C)CC1 AK-51148 [0,0,0,1,0,0|2,0,1]=4 114 B2R0.1 CC#N AK-41420 [2,0,0,0,0,0|1,0,1]=4 115 B2R0.1 N=CN AK-77050 [2,0,0,0,0,0|2,0,0]=4 116 B2R0.1 NNC AK163949 [2,0,0,0,0,0|2,0,0]=4 117 B2R0.1 ONC AK-90069 [2,0,0,0,0,0|1,0,0]=3 118 B2R0.1 [Pt](=O)=O AK109565 [2,0,0,0,0,0|1,0,1]=4 119 B4R0.2 BrCCNC AK153488 [1,1,0,0,0,0|1,0,1]=4 120 B4R0.2 C#CCCN AK-81795 [1,1,0,0,0,0|1,0,1]=4 121 B4R0.2 C(Br)CCN AK-73071 [1,1,0,0,0,0|1,0,1]=4 122 B4R0.2 C=CCCN AK165308 [1,1,0,0,0,0|1,0,0]=3 123 B4R0.2 C=CC[Pd]Cl AK327212 [1,1,0,0,0,0|2,0,0]=4 124 B4R0.2 ClCCNC AK123132 [1,1,0,0,0,0|1,0,1]=4 125 B4R0.2 ICCCI AK126057 [1,1,0,0,0,0|1,0,1]=4 126 B4R0.2 N#CCNC AK-46627 [1,1,0,0,0,0|1,0,1]=4 127 B4R0.2 NCCCCl AK164441 [1,1,0,0,0,0|1,0,1]=4 128 B4R0.2 NNCCC AK-76893 [1,1,0,0,0,0|1,0,1]=4 129 B4R0.2 NNCCO AK-41264 [1,1,0,0,0,0|1,0,1]=4 130 B4R0.2 NOCC=C AK208821 [1,1,0,0,0,0|2,0,0]=4 131 B4R0.2 NOCCN AK-72573 [1,1,0,0,0,0|1,0,1]=4 132 B4R0.2 OCCCBr AK-77055 [1,1,0,0,0,0|0,0,1]=3 133 B4R0.3 CS(=O)(N)=O AK101074 [1,1,0,0,0,0|1,0,1]=4 134 B4R0.3 O=[S+](C)(C)C AK128826 [1,1,0,0,0,0|2,0,0]=4 135 B4R0.3 O=[S+](C)(C)C AK163211 [1,1,0,0,0,0|2,0,0]=4 136 B6R0.1 C#CCC(OC)=O AK-93397 [0,2,0,0,0,0|0,0,1]=3 137 B6R0.1 C(C(NC)=O)C#N AK-35938 [0,2,0,0,0,0|1,0,1]=4 138 B6R0.1 CCCC(NN)=O AK-95909 [0,2,0,0,0,0|1,0,0]=3 139 B6R0.1 CCC[C@H](N)CO AK-81386 [0,2,0,0,0,0|1,0,1]=4 140 B6R0.1 O=C(NCC)CN AK-65785 [0,2,0,0,0,0|1,0,0]=3 141 B6R0.1 O=C(NN)COC AK110451 [0,2,0,0,0,0|1,0,0]=3 142 B6R0.1 O=C(OC)C#CBr AK122774 [0,2,0,0,0,0|0,0,2]=4 143 B6R0.1 O=C(OC)CCBr AK-91613 [0,2,0,0,0,0|0,0,0]=2 144 B6R0.1 O=C(OC)CCN AK-46776 [0,2,0,0,0,0|0,0,0]=2 145 B6R0.1 O=C(OC)CCO AK-83355 [0,2,0,0,0,0|0,0,0]=2 146 B6R0.1 O=C(OC)CNC AK-58375 [0,2,0,0,0,0|0,0,0]=2 147 B6R0.1 O=C(OC)OCC AK397345 [0,2,0,0,0,0|0,0,0]=2 148 B6R0.1 O=C(OC)\C=C\I AK-49986 [0,2,0,0,0,0|0,0,2]=4 149 B6R0.1 O=C(OCC)CO AK-98662 [0,2,0,0,0,0|0,0,0]=2 150 B6R0.1 OCC(O)CNC AK-68394 [0,2,0,0,0,0|0,0,2]=4 151 B6R0.2 C(C(=O)O)N(C)C AK-41194 [0,2,0,0,0,0|0,0,0]=2 152 B6R0.2 CC(C)CB(O)O AK-26354 [0,2,0,0,0,0|1,0,1]=4 153 B6R0.2 CC(NC(C)C)=O AK-86542 [0,2,0,0,0,0|1,0,0]=3 154 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,2,0,0,0,0|1,0,1]=4 155 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [0,2,0,0,0,0|0,0,0]=2 156 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [0,2,0,0,0,0|0,0,0]=2 157 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [0,2,0,0,0,0|0,0,0]=2 158 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [0,2,0,0,0,0|0,0,1]=3 159 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [0,2,0,0,0,0|0,0,0]=2 160 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [0,2,0,0,0,0|0,0,0]=2 161 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,2,0,0,0,0|0,0,1]=3 162 B6R0.2 O=C([O-])C[S+](C)C AK543883 [0,2,0,0,0,0|0,0,1]=3 163 B6R0.2 OC(=O)CC(O)=O AK-98172 [0,2,0,0,0,0|0,0,1]=3 164 B6R0.2 S=C(N)CN(C)C AK-74196 [0,2,0,0,0,0|1,1,0]=4 165 B6R0.3 C(=O)([C@H](N)CS)O AK-51501 [0,2,0,0,0,0|0,0,0]=2 166 B6R0.3 C(C(C(C)C)N)O AK-46643 [0,2,0,0,0,0|1,0,1]=4 167 B6R0.3 C(C(C(O)=O)N)O AK-46543 [0,2,0,0,0,0|0,0,0]=2 168 B6R0.3 C(C(N)C(O)=O)C AK-46591 [0,2,0,0,0,0|0,0,0]=2 169 B6R0.3 C(S)C(N)C(O)=O AK-73021 [0,2,0,0,0,0|0,0,0]=2 170 B6R0.3 CC(C#N)C(O)=O AK544214 [0,2,0,0,0,0|0,0,0]=2 171 B6R0.3 CC(C)C(N)CO AK-62680 [0,2,0,0,0,0|1,0,1]=4 172 B6R0.3 CC(C)\C(N)=N\O AK117017 [0,2,0,0,0,0|1,0,0]=3 173 B6R0.3 CC(N(CC)C)=O AK149250 [0,2,0,0,0,0|1,0,0]=3 174 B6R0.3 CC(N)C(OC)=O AK-48822 [0,2,0,0,0,0|0,0,0]=2 175 B6R0.3 CCC(=O)C(O)=O AK-48379 [0,2,0,0,0,0|0,0,0]=2 176 B6R0.3 CCC(N(C)C)=O AK105976 [0,2,0,0,0,0|1,0,0]=3 177 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [0,2,0,0,0,0|0,0,0]=2 178 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [0,2,0,0,0,0|0,0,0]=2 179 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [0,2,0,0,0,0|1,0,0]=3 180 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [0,2,0,0,0,0|0,0,0]=2 181 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [0,2,0,0,0,0|0,0,0]=2 182 B6R0.3 COC(C)C(O)=O AK-49797 [0,2,0,0,0,0|0,0,0]=2 183 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [0,2,0,0,0,0|0,0,0]=2 184 B6R0.3 C[C@@H](O)[C@H](N)CO AK-61256 [0,2,0,0,0,0|1,0,1]=4 185 B6R0.3 C[C@H](N)C(NC)=O AK-90374 [0,2,0,0,0,0|1,0,0]=3 186 B6R0.3 C[C@H](NC)C(O)=O AK134597 [0,2,0,0,0,0|0,0,0]=2 187 B6R0.3 C[C@H](O)[C@@H](N)CO AK-81264 [0,2,0,0,0,0|1,0,1]=4 188 B6R0.3 C[C@H](OC)C(O)=O AK167072 [0,2,0,0,0,0|0,0,0]=2 189 B6R0.3 C\C=C(O)\C(O)=O AK149482 [0,2,0,0,0,0|0,0,1]=3 190 B6R0.3 NC(CO)C(O)=O AK-41368 [0,2,0,0,0,0|0,0,0]=2 191 B6R0.3 N[C@@H](C)C(OC)=O AK-46616 [0,2,0,0,0,0|0,0,0]=2 192 B6R0.3 N[C@@H](CO)C(N)=O AK-81285 [0,2,0,0,0,0|1,0,0]=3 193 B6R0.3 N[C@@H](CS)C(O)=O AK-48312 [0,2,0,0,0,0|0,0,0]=2 194 B6R0.3 N[C@@H](CS)C(O)=O AK-49861 [0,2,0,0,0,0|0,0,0]=2 195 B6R0.3 N[C@H](C)C(OC)=O AK-49396 [0,2,0,0,0,0|0,0,0]=2 196 B6R0.3 N[C@H](CN)C(O)=O AK-31407 [0,2,0,0,0,0|0,0,0]=2 197 B6R0.3 O=C(N(C)C)CN AK-33842 [0,2,0,0,0,0|2,0,0]=4 198 B6R0.3 O=C(N(C)C)CN AK-39204 [0,2,0,0,0,0|2,0,0]=4 199 B6R0.3 O=C(O)C(C)CBr AK116257 [0,2,0,0,0,0|0,0,0]=2 200 B6R0.3 O=C(O)C(N)CN AK-44800 [0,2,0,0,0,0|0,0,0]=2 201 B6R0.3 O=C(O)C(O)CO AK114312 [0,2,0,0,0,0|0,0,0]=2 202 B6R0.3 O=C(O)[C@@H](N)CN AK-25439 [0,2,0,0,0,0|0,0,0]=2 203 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [0,2,0,0,0,0|0,0,0]=2 204 B6R0.3 O=C(O)[C@@H](N)CS AK-61915 [0,2,0,0,0,0|0,0,0]=2 205 B6R0.3 O=C(O)[C@@H](O)CN AK-75855 [0,2,0,0,0,0|0,0,0]=2 206 B6R0.3 O=C(O)[C@H](N)CCl AK-90315 [0,2,0,0,0,0|0,0,0]=2 207 B6R0.3 O=C(O)[C@H](N)CCl AK122809 [0,2,0,0,0,0|0,0,0]=2 208 B6R0.3 O=C(O)[C@H](N)CS AK175126 [0,2,0,0,0,0|0,0,0]=2 209 B6R0.3 O=C([O-])C(OC)=O AK670985 [0,2,0,0,0,0|0,0,2]=4 210 B6R0.3 [C@@H](N)(C(C)C)CO AK-46511 [0,2,0,0,0,0|1,0,1]=4 211 B6R0.4 CC(CCCCl)=O AK-48368 [0,2,0,0,0,0|1,0,0]=3 212 B6R0.4 CC(OCCBr)=O AK165045 [0,2,0,0,0,0|1,0,0]=3 213 B6R0.4 CCCCB(O)O AK-44016 [0,2,0,0,0,0|1,0,1]=4 214 B6R0.4 CCCCC([O-])=O AK163205 [0,2,0,0,0,0|0,0,1]=3 215 B6R0.4 NC(OCCC)=O AK116320 [0,2,0,0,0,0|1,0,0]=3 216 B6R0.4 O=C(N)NCCO AK121931 [0,2,0,0,0,0|1,0,0]=3 217 B6R0.4 O=C(O)CCC#N AK-47909 [0,2,0,0,0,0|0,0,0]=2 218 B6R0.4 O=C(O)CCCCl AK113749 [0,2,0,0,0,0|0,0,0]=2 219 B6R0.4 O=C(O)CCCN AK-43987 [0,2,0,0,0,0|0,0,0]=2 220 B6R0.4 O=C(O)CCNC AK155866 [0,2,0,0,0,0|0,0,0]=2 221 B6R0.4 O=C(O)CCOC AK-88477 [0,2,0,0,0,0|0,0,0]=2 222 B6R0.4 OC(=O)CCC#C AK-32594 [0,2,0,0,0,0|0,0,0]=2 223 B6R0.4 OCNCC(=O)[O-] AK-79027 [0,2,0,0,0,0|0,0,1]=3 224 B6R0.5 BrCCP(O)(O)=O AK113299 [0,2,0,0,0,0|1,0,0]=3 225 B6R0.5 CCCS(=O)(N)=O AK113525 [0,2,0,0,0,0|1,0,1]=4 226 B6R0.5 CS(=O)(OCC)=O AK544582 [0,2,0,0,0,0|1,0,1]=4 227 B6R0.5 NCCP(O)(O)=O AK113300 [0,2,0,0,0,0|1,0,0]=3 228 B6R0.5 NCCS(=O)(N)=O AK145430 [0,2,0,0,0,0|1,0,1]=4 229 B6R0.5 NCC[S](=O)(=O)C AK-39784 [0,2,0,0,0,0|1,0,1]=4 230 B6R0.8 CCS(=O)(OC)=O AK544583 [0,2,0,0,0,0|1,0,0]=3 231 B6R0.9 COC(OC)C=O AK-65152 [0,2,0,0,0,0|1,0,1]=4 232 B6R0.7 CC(C(O)=O)(C)N AK-47379 [0,2,0,0,0,0|0,0,0]=2 233 B6R0.7 CC(C)(Br)C(N)=O AK-65163 [0,2,0,0,0,0|1,0,0]=3 234 B6R0.7 CC(C)(C)C(N)=N AK113616 [0,2,0,0,0,0|2,0,0]=4 235 B6R0.7 CC(C)(C)C([O-])=O AK160916 [0,2,0,0,0,0|0,0,1]=3 236 B6R0.7 CC(C)(C)C([O-])=O AK311585 [0,2,0,0,0,0|0,0,1]=3 237 B6R0.7 CC(C)(C)[S@@](=O)N AK-27064 [0,2,0,0,0,0|2,0,0]=4 238 B6R0.7 CC(C)(C)[S@](=O)N AK-25810 [0,2,0,0,0,0|2,0,0]=4 239 B6R0.7 CC(C)(C)[S](=O)N AK-25434 [0,2,0,0,0,0|2,0,0]=4 240 B6R0.7 CC(C)(O)C(N)=O AK-57348 [0,2,0,0,0,0|1,0,0]=3 241 B6R0.7 CC(F)(F)C(O)=O AK109307 [0,2,0,0,0,0|0,0,0]=2 242 B6R0.7 CC(S(=O)(N)=O)C AK108357 [0,2,0,0,0,0|1,0,1]=4 243 B6R0.7 O=C(N)C(C)(C)C AK208951 [0,2,0,0,0,0|1,0,0]=3 244 B6R0.7 O=C(N)C(F)(F)F AK-88671 [0,2,0,0,0,0|2,0,0]=4 245 B6R0.7 O=C([O-])C(C)(C)C AK208709 [0,2,0,0,0,0|0,0,1]=3 246 B6R0.7 O=C([O-])C(F)(Cl)F AK130469 [0,2,0,0,0,0|1,0,1]=4 247 B6R0.7 O=C([O-])C(F)(F)F AK106150 [0,2,0,0,0,0|1,0,1]=4 248 B6R0.7 O=C([O-])C(F)(F)F AK162365 [0,2,0,0,0,0|1,0,1]=4 249 B6R0.7 O=C([O-])C(F)(F)F AK308494 [0,2,0,0,0,0|1,0,1]=4 250 B4R1.1 N1CCC1 AK-23880 [1,0,0,1,0,0|1,0,1]=4 251 B6R1.2 C1C(COC1)O AK-46125 [0,1,0,1,0,0|0,0,2]=4 252 B6R1.2 IC1COCC1 AK162325 [0,1,0,1,0,0|1,0,1]=4 253 B6R1.2 I[C@H]1COCC1 AK170642 [0,1,0,1,0,0|1,0,1]=4 254 B6R1.2 N1CCC(O)C1 AK-27184 [0,1,0,1,0,0|1,0,1]=4 255 B6R1.2 NC1=NCCC1 AK-81762 [0,1,0,1,0,0|2,0,0]=4 256 B6R1.2 NC1COCC1 AK-25569 [0,1,0,1,0,0|1,0,1]=4 257 B6R1.2 N[C@@H]1COCC1 AK-32266 [0,1,0,1,0,0|1,0,1]=4 258 B6R1.2 O1CC[C@H](C1)N AK-32944 [0,1,0,1,0,0|1,0,1]=4 259 B6R1.2 O=C1CC=NN1 AK-90809 [0,1,0,1,0,0|1,0,1]=4 260 B6R1.2 O=C1CCNC1 AK-46584 [0,1,0,1,0,0|1,0,0]=3 261 B6R1.2 O=C1CCOC1 AK-27035 [0,1,0,1,0,0|0,0,0]=2 262 B6R1.2 O=C1CSCC1 AK-40135 [0,1,0,1,0,0|0,1,0]=3 263 B6R1.2 O=C1NNCC1 AK-46169 [0,1,0,1,0,0|1,0,0]=3 264 B6R1.2 O=C1NOCC1 AK122832 [0,1,0,1,0,0|0,0,0]=2 265 B6R1.2 O=C1OCC=C1 AK163254 [0,1,0,1,0,0|0,0,1]=3 266 B6R1.2 O=C1OCCN1 AK-94050 [0,1,0,1,0,0|0,0,0]=2 267 B6R1.2 O=C1OCCO1 AK101077 [0,1,0,1,0,0|0,0,0]=2 268 B6R1.2 O=C1SCCN1 AK-89361 [0,1,0,1,0,0|0,1,0]=3 269 B6R1.2 OC1CNCC1 AK-53403 [0,1,0,1,0,0|1,0,1]=4 270 B6R1.2 OC1CNCC1 AK134933 [0,1,0,1,0,0|1,0,1]=4 271 B6R1.2 O[C@@H]1CCNC1 AK-32737 [0,1,0,1,0,0|1,0,1]=4 272 B6R1.2 O[C@@H]1CCOC1 AK-36591 [0,1,0,1,0,0|0,0,2]=4 273 B6R1.2 O[C@@H]1CNCC1 AK-32613 [0,1,0,1,0,0|1,0,1]=4 274 B6R1.2 O[C@@H]1CNCC1 AK-33013 [0,1,0,1,0,0|1,0,1]=4 275 B6R1.2 O[C@H]1CCOC1 AK-36590 [0,1,0,1,0,0|0,0,2]=4 276 B6R1.2 O[C@H]1CNCC1 AK-25701 [0,1,0,1,0,0|1,0,1]=4 277 B6R1.5 NC1CC(=O)C1 AK-41683 [0,1,0,1,0,0|1,0,0]=3 278 B6R1.5 O[C@H]1C[C@@H](N)C1 AK-39775 [0,1,0,1,0,0|1,0,1]=4 279 B6R1.5 O[C@H]1C[C@H](N)C1 AK-76970 [0,1,0,1,0,0|1,0,1]=4 280 B6R1.10 OC1(C)CNC1 AK142848 [0,1,0,1,0,0|1,0,1]=4 281 B6R1.10 OC1(C)COC1 AK112914 [0,1,0,1,0,0|1,0,1]=4 282 B6R1.11 N=C(C1CC1)N AK-61863 [0,1,0,1,0,0|2,0,0]=4 283 B6R1.11 OB(C1CC1)O AK-25947 [0,1,0,1,0,0|1,0,1]=4 284 B6R1.6 OCC1CCO1 AK-64713 [0,1,0,1,0,0|0,0,2]=4 285 B6R1.6 OC[C@H]1NCC1 AK-59466 [0,1,0,1,0,0|1,0,1]=4 286 B6R1.7 OC1(CN)CC1 AK-77569 [0,1,0,1,0,0|1,0,1]=4 287 B6R1.7 OCC1(N)CC1 AK-32789 [0,1,0,1,0,0|1,0,1]=4