0 B4R0.2 BrCCNC AK153488 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.2 C#CCCN AK-81795 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.2 C(Br)CCN AK-73071 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 C=CCCN AK165308 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.2 C=CC[Pd]Cl AK327212 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.2 ClCCNC AK123132 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.2 ICCCI AK126057 [0,0,0,0,0,0|2,0,1]=3 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|2,0,1]=3 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|3,0,0]=3 11 B4R0.2 NOCC=C AK208821 [0,0,0,0,0,0|3,0,0]=3 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|1,0,2]=3 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|1,0,1]=3 16 B3R0.1 CONC AK-41541 [1,0,0,0,0,0|2,0,1]=4 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|1,0,1]=3 20 B5R0.1 C#CCC(O)=O AK106962 [0,1,0,0,0,0|0,0,2]=3 21 B5R0.1 C(C#N)C(N)=O AK-73131 [0,1,0,0,0,0|1,0,1]=3 22 B5R0.1 C(C(=O)O)NC AK-47434 [0,1,0,0,0,0|1,0,0]=2 23 B5R0.1 CC#CC(O)=O AK-49957 [0,1,0,0,0,0|0,0,2]=3 24 B5R0.1 CC(N)CCO AK-81869 [0,1,0,0,0,0|0,0,2]=3 25 B5R0.1 CCCB(O)O AK-47948 [0,1,0,0,0,0|1,0,1]=3 26 B5R0.1 CN(CCBr)C AK-35597 [0,1,0,0,0,0|2,0,1]=4 27 B5R0.1 CNCC(N)=O AK-90265 [0,1,0,0,0,0|1,0,0]=2 28 B5R0.1 C[C@@H](N)CC#N AK203337 [0,1,0,0,0,0|1,0,1]=3 29 B5R0.1 C[C@@H](N)CCC AK608015 [0,1,0,0,0,0|1,0,1]=3 30 B5R0.1 C[C@@H](N)CCO AK-41725 [0,1,0,0,0,0|0,0,2]=3 31 B5R0.1 C[C@@H](N)COC AK-72611 [0,1,0,0,0,0|2,0,0]=3 32 B5R0.1 C[C@@H](O)CCO AK-86774 [0,1,0,0,0,0|0,0,2]=3 33 B5R0.1 C[C@H](N)CC#N AK173140 [0,1,0,0,0,0|1,0,1]=3 34 B5R0.1 C[C@H](N)CCC AK171191 [0,1,0,0,0,0|1,0,1]=3 35 B5R0.1 C[C@H](N)CCO AK-41726 [0,1,0,0,0,0|0,0,2]=3 36 B5R0.1 N=C(N)COC AK-86295 [0,1,0,0,0,0|2,0,0]=3 37 B5R0.1 NCCC(N)=O AK-26218 [0,1,0,0,0,0|1,0,0]=2 38 B5R0.1 NCCC(O)=O AK-41261 [0,1,0,0,0,0|1,0,0]=2 39 B5R0.1 NOCC(C)=C AK550273 [0,1,0,0,0,0|2,0,1]=4 40 B5R0.1 NOCC(C)C AK-83418 [0,1,0,0,0,0|2,0,0]=3 41 B5R0.1 O=C(N)CSC AK-34209 [0,1,0,0,0,0|1,0,0]=2 42 B5R0.1 O=CCN(C)C AK136086 [0,1,0,0,0,0|1,0,0]=2 43 B5R0.1 O=CCN(C)C AK172998 [0,1,0,0,0,0|1,0,0]=2 44 B5R0.1 O=P(CCN)O AK477259 [0,1,0,0,0,0|2,0,0]=3 45 B5R0.1 [O+](=C(N)N)CC AK-50388 [0,1,0,0,0,0|2,0,0]=3 46 B5R0.2 BrCCCC#N AK110352 [0,1,0,0,0,0|1,0,1]=3 47 B5R0.2 C(CCN)CN AK-46742 [0,1,0,0,0,0|1,0,1]=3 48 B5R0.2 C=CCCCO AK325629 [0,1,0,0,0,0|1,0,0]=2 49 B5R0.2 CNOCCN AK155896 [0,1,0,0,0,0|2,0,1]=4 50 B5R0.2 ClCCCCBr AK105174 [0,1,0,0,0,0|1,0,1]=3 51 B5R0.2 ICCCCCl AK116716 [0,1,0,0,0,0|1,0,1]=3 52 B5R0.2 ICCCCI AK112667 [0,1,0,0,0,0|1,0,1]=3 53 B5R0.2 N#CCCNC AK116969 [0,1,0,0,0,0|1,0,1]=3 54 B5R0.2 N#CCCNN AK129289 [0,1,0,0,0,0|2,0,1]=4 55 B5R0.2 N#CCCOC AK-46138 [0,1,0,0,0,0|1,0,1]=3 56 B5R0.2 NCCCCBr AK-51681 [0,1,0,0,0,0|1,0,1]=3 57 B5R0.2 NOCCCC AK-85835 [0,1,0,0,0,0|0,0,2]=3 58 B5R0.2 OCCCCN AK-58038 [0,1,0,0,0,0|0,0,2]=3 59 B5R0.2 OCCCNC AK112615 [0,1,0,0,0,0|0,0,2]=3 60 B5R0.3 C(C(CN)O)N AK-49066 [0,1,0,0,0,0|2,0,1]=4 61 B5R0.3 C=CC(NC)=O AK115593 [0,1,0,0,0,0|2,0,1]=4 62 B5R0.3 C=C[C@H](N)CO AK-78923 [0,1,0,0,0,0|2,0,0]=3 63 B5R0.3 CC(CCl)CBr AK112650 [0,1,0,0,0,0|2,0,1]=4 64 B5R0.3 CCC(CN)=O AK-38468 [0,1,0,0,0,0|1,0,2]=4 65 B5R0.3 CCC(CO)=O AK149491 [0,1,0,0,0,0|0,0,3]=4 66 B5R0.3 CCC(N)CO AK-57405 [0,1,0,0,0,0|0,0,2]=3 67 B5R0.3 CC[C@@H](O)CO AK110229 [0,1,0,0,0,0|0,0,2]=3 68 B5R0.3 CC[C@H](N)CO AK-86460 [0,1,0,0,0,0|0,0,2]=3 69 B5R0.3 CC[C@H](O)CO AK110230 [0,1,0,0,0,0|0,0,2]=3 70 B5R0.3 C[C@@H](OC)CN AK153940 [0,1,0,0,0,0|2,0,1]=4 71 B5R0.3 NOC(C=C)C AK550274 [0,1,0,0,0,0|3,0,0]=4 72 B5R0.3 O=C[C@H](O)CO AK122382 [0,1,0,0,0,0|1,0,0]=2 73 B5R0.3 OC(CCl)CN AK123258 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.3 OC[C@@H](O)CN AK-35849 [0,1,0,0,0,0|1,0,2]=4 75 B5R0.3 OC[C@H](O)CN AK-36032 [0,1,0,0,0,0|1,0,2]=4 76 B5R0.3 O[C@H](CCl)CN AK123304 [0,1,0,0,0,0|2,0,1]=4 77 B5R1.1 N1CC=CC1 AK-35945 [0,0,0,1,0,0|2,0,0]=3 78 B5R1.1 S1CNCC1 AK340267 [0,0,0,1,0,0|1,1,1]=4 79 B5R1.2 FC1CNC1 AK-35869 [0,0,0,1,0,0|2,0,1]=4 80 B5R1.2 IC1COC1 AK115961 [0,0,0,1,0,0|2,0,1]=4 81 B5R1.2 NC1CNC1 AK-32674 [0,0,0,1,0,0|2,0,1]=4 82 B5R1.2 NC1COC1 AK-49035 [0,0,0,1,0,0|2,0,1]=4 83 B5R1.2 NC1COC1 AK122281 [0,0,0,1,0,0|2,0,1]=4 84 B5R1.2 O1CC(C1)=O AK-32211 [0,0,0,1,0,0|1,0,0]=2 85 B5R1.2 O=C1CNC1 AK-59488 [0,0,0,1,0,0|1,0,0]=2 86 B5R1.2 O=C1CSC1 AK-41121 [0,0,0,1,0,0|1,0,0]=2 87 B5R1.2 O=C1NCC1 AK-36897 [0,0,0,1,0,0|1,0,0]=2 88 B5R1.2 OC1CNC1 AK-25536 [0,0,0,1,0,0|1,0,2]=4 89 B5R1.2 OC1COC1 AK-32210 [0,0,0,1,0,0|1,0,2]=4 90 B5R1.3 CNC1CC1 AK-50625 [0,0,0,1,0,0|2,0,0]=3 91 B5R1.3 NNC1CC1 AK-77851 [0,0,0,1,0,0|2,0,0]=3 92 B5R1.4 N[C@H]1[C@H](F)C1 AK184204 [0,0,0,1,0,0|2,0,1]=4 93 B5R1.4 N[C@H]1[C@H](N)C1 AK-67653 [0,0,0,1,0,0|2,0,1]=4 94 B2R0.1 CC#N AK-41420 [2,0,0,0,0,0|1,0,1]=4 95 B2R0.1 N=CN AK-77050 [2,0,0,0,0,0|2,0,0]=4 96 B2R0.1 NNC AK163949 [2,0,0,0,0,0|2,0,0]=4 97 B2R0.1 ONC AK-90069 [2,0,0,0,0,0|1,0,1]=4 98 B2R0.1 [Pt](=O)=O AK109565 [2,0,0,0,0,0|2,0,0]=4 99 B4R0.1 C(N)C(=O)C AK-42698 [1,1,0,0,0,0|1,0,0]=3 100 B4R0.1 C=CC([O-])=O AK160082 [1,1,0,0,0,0|0,0,2]=4 101 B4R0.1 CC(C)ON AK-81639 [1,1,0,0,0,0|2,0,0]=4 102 B4R0.1 CC(NN)C AK-46728 [1,1,0,0,0,0|2,0,0]=4 103 B4R0.1 CCB(O)O AK-25979 [1,1,0,0,0,0|1,0,1]=4 104 B4R0.1 CCC(N)=N AK-48186 [1,1,0,0,0,0|1,0,0]=3 105 B4R0.1 C[C@@H](N)CO AK-46726 [1,1,0,0,0,0|0,0,1]=3 106 B4R0.1 C[C@@H](O)CCl AK-73033 [1,1,0,0,0,0|1,0,0]=3 107 B4R0.1 C[C@@H](O)CN AK-76466 [1,1,0,0,0,0|1,0,0]=3 108 B4R0.1 C[C@@H](O)CO AK158454 [1,1,0,0,0,0|0,0,1]=3 109 B4R0.1 C[C@H](N)C#C AK167739 [1,1,0,0,0,0|0,0,2]=4 110 B4R0.1 C[C@H](N)CN AK-51561 [1,1,0,0,0,0|1,0,0]=3 111 B4R0.1 C[C@H](O)CN AK-72977 [1,1,0,0,0,0|1,0,0]=3 112 B4R0.1 C[C@H](O)CO AK111153 [1,1,0,0,0,0|0,0,1]=3 113 B4R0.1 N=C(N)CCl AK113548 [1,1,0,0,0,0|2,0,0]=4 114 B4R0.1 N=C(N)CO AK-40243 [1,1,0,0,0,0|2,0,0]=4 115 B4R0.1 N=C(N)OC AK-48234 [1,1,0,0,0,0|2,0,0]=4 116 B4R0.1 N=C(N)SC AK-44125 [1,1,0,0,0,0|2,0,0]=4 117 B4R0.1 NC(=O)CI AK110349 [1,1,0,0,0,0|1,0,0]=3 118 B4R0.1 NC(C)CO AK-46466 [1,1,0,0,0,0|0,0,1]=3 119 B4R0.1 NC(NC)=N AK-73103 [1,1,0,0,0,0|2,0,0]=4 120 B4R0.1 NC(OC)=N AK116935 [1,1,0,0,0,0|2,0,0]=4 121 B4R0.1 NCC(N)=O AK-41459 [1,1,0,0,0,0|1,0,0]=3 122 B4R0.1 O=C(N)CBr AK-50036 [1,1,0,0,0,0|1,0,0]=3 123 B4R0.1 O=C(N)NO AK128930 [1,1,0,0,0,0|2,0,0]=4 124 B4R0.1 O=C(O)CN AK-77854 [1,1,0,0,0,0|1,0,0]=3 125 B4R0.1 O=C([O-])CN AK114167 [1,1,0,0,0,0|1,0,0]=3 126 B4R0.1 ONC(C)C AK117015 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.1 C#CCC(OC)=O AK-93397 [0,2,0,0,0,0|0,0,2]=4 128 B6R0.1 C(C(NC)=O)C#N AK-35938 [0,2,0,0,0,0|1,0,1]=4 129 B6R0.1 C=CC[C@@H](N)CO AK684514 [0,2,0,0,0,0|1,0,0]=3 130 B6R0.1 CCCC(NN)=O AK-95909 [0,2,0,0,0,0|0,0,0]=2 131 B6R0.1 CCC[C@H](N)CO AK-81386 [0,2,0,0,0,0|0,0,2]=4 132 B6R0.1 N#CC[C@H](O)CCl AK-33074 [0,2,0,0,0,0|1,0,1]=4 133 B6R0.1 O=C(NCC)CN AK-65785 [0,2,0,0,0,0|1,0,0]=3 134 B6R0.1 O=C(NN)COC AK110451 [0,2,0,0,0,0|1,0,0]=3 135 B6R0.1 O=C(OC)CCBr AK-91613 [0,2,0,0,0,0|1,0,0]=3 136 B6R0.1 O=C(OC)CCN AK-46776 [0,2,0,0,0,0|1,0,0]=3 137 B6R0.1 O=C(OC)CCO AK-83355 [0,2,0,0,0,0|1,0,0]=3 138 B6R0.1 O=C(OC)CNC AK-58375 [0,2,0,0,0,0|1,0,0]=3 139 B6R0.1 O=C(OC)OCC AK397345 [0,2,0,0,0,0|1,0,0]=3 140 B6R0.1 O=C(OCC)CO AK-98662 [0,2,0,0,0,0|1,0,0]=3 141 B6R0.1 OCC(O)CNC AK-68394 [0,2,0,0,0,0|0,0,2]=4 142 B6R0.2 C(C(=O)O)N(C)C AK-41194 [0,2,0,0,0,0|1,0,0]=3 143 B6R0.2 CC(C)CB(O)O AK-26354 [0,2,0,0,0,0|1,0,1]=4 144 B6R0.2 CC(NC(C)C)=O AK-86542 [0,2,0,0,0,0|1,0,0]=3 145 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,2,0,0,0,0|0,0,2]=4 146 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [0,2,0,0,0,0|0,0,0]=2 147 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [0,2,0,0,0,0|0,0,0]=2 148 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [0,2,0,0,0,0|0,0,0]=2 149 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [0,2,0,0,0,0|0,0,0]=2 150 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [0,2,0,0,0,0|0,0,0]=2 151 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [0,2,0,0,0,0|0,0,0]=2 152 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,2,0,0,0,0|0,0,2]=4 153 B6R0.2 NC(C)CC(C)C AK205814 [0,2,0,0,0,0|1,0,1]=4 154 B6R0.2 O=C([O-])C[S+](C)C AK543883 [0,2,0,0,0,0|1,0,0]=3 155 B6R0.2 OC(=O)CC(O)=O AK-98172 [0,2,0,0,0,0|1,0,1]=4 156 B6R0.2 S=C(N)CN(C)C AK-74196 [0,2,0,0,0,0|1,1,0]=4 157 B6R0.3 C(=O)([C@H](N)CS)O AK-51501 [0,2,0,0,0,0|1,0,0]=3 158 B6R0.3 C(C(C(C)C)N)O AK-46643 [0,2,0,0,0,0|0,0,2]=4 159 B6R0.3 C(C(C(O)=O)N)O AK-46543 [0,2,0,0,0,0|1,0,0]=3 160 B6R0.3 C(C(N)C(O)=O)C AK-46591 [0,2,0,0,0,0|0,0,0]=2 161 B6R0.3 C(S)C(N)C(O)=O AK-73021 [0,2,0,0,0,0|1,0,0]=3 162 B6R0.3 CC(C#N)C(O)=O AK544214 [0,2,0,0,0,0|1,0,1]=4 163 B6R0.3 CC(C)C(N)CO AK-62680 [0,2,0,0,0,0|0,0,2]=4 164 B6R0.3 CC(N(CC)C)=O AK149250 [0,2,0,0,0,0|1,0,0]=3 165 B6R0.3 CCC(=O)C(O)=O AK-48379 [0,2,0,0,0,0|0,0,1]=3 166 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [0,2,0,0,0,0|0,0,0]=2 167 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [0,2,0,0,0,0|0,0,0]=2 168 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [0,2,0,0,0,0|0,0,0]=2 169 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [0,2,0,0,0,0|0,0,0]=2 170 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [0,2,0,0,0,0|0,0,0]=2 171 B6R0.3 COC(C)C(O)=O AK-49797 [0,2,0,0,0,0|1,0,0]=3 172 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [0,2,0,0,0,0|1,0,0]=3 173 B6R0.3 C[C@@H](O)[C@H](N)CO AK-61256 [0,2,0,0,0,0|0,0,2]=4 174 B6R0.3 C[C@H](NC)C(O)=O AK134597 [0,2,0,0,0,0|1,0,0]=3 175 B6R0.3 C[C@H](O)[C@@H](N)CO AK-81264 [0,2,0,0,0,0|0,0,2]=4 176 B6R0.3 C[C@H](OC)C(O)=O AK167072 [0,2,0,0,0,0|1,0,0]=3 177 B6R0.3 C\C=C(O)\C(O)=O AK149482 [0,2,0,0,0,0|0,0,2]=4 178 B6R0.3 NC(CO)C(O)=O AK-41368 [0,2,0,0,0,0|1,0,0]=3 179 B6R0.3 N[C@@H](CO)C(N)=O AK-81285 [0,2,0,0,0,0|1,0,0]=3 180 B6R0.3 N[C@@H](CS)C(O)=O AK-48312 [0,2,0,0,0,0|1,0,0]=3 181 B6R0.3 N[C@@H](CS)C(O)=O AK-49861 [0,2,0,0,0,0|1,0,0]=3 182 B6R0.3 N[C@H](CN)C(O)=O AK-31407 [0,2,0,0,0,0|1,0,0]=3 183 B6R0.3 O=C(O)C(C)CBr AK116257 [0,2,0,0,0,0|1,0,0]=3 184 B6R0.3 O=C(O)C(N)CN AK-44800 [0,2,0,0,0,0|1,0,0]=3 185 B6R0.3 O=C(O)C(O)CO AK114312 [0,2,0,0,0,0|1,0,0]=3 186 B6R0.3 O=C(O)[C@@H](N)CN AK-25439 [0,2,0,0,0,0|1,0,0]=3 187 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [0,2,0,0,0,0|1,0,0]=3 188 B6R0.3 O=C(O)[C@@H](N)CS AK-61915 [0,2,0,0,0,0|1,0,0]=3 189 B6R0.3 O=C(O)[C@@H](O)CN AK-75855 [0,2,0,0,0,0|1,0,0]=3 190 B6R0.3 O=C(O)[C@H](N)CCl AK-90315 [0,2,0,0,0,0|1,0,0]=3 191 B6R0.3 O=C(O)[C@H](N)CCl AK122809 [0,2,0,0,0,0|1,0,0]=3 192 B6R0.3 O=C(O)[C@H](N)CS AK175126 [0,2,0,0,0,0|1,0,0]=3 193 B6R0.3 O=C([O-])C(OC)=O AK670985 [0,2,0,0,0,0|1,0,1]=4 194 B6R0.3 [C@@H](N)(C(C)C)CO AK-46511 [0,2,0,0,0,0|0,0,2]=4 195 B6R0.4 CC(C)NCCCl AK110294 [0,2,0,0,0,0|1,0,1]=4 196 B6R0.4 CC(C)OCCBr AK110255 [0,2,0,0,0,0|1,0,1]=4 197 B6R0.4 CC(CCCCl)=O AK-48368 [0,2,0,0,0,0|0,0,0]=2 198 B6R0.4 CC(OCCBr)=O AK165045 [0,2,0,0,0,0|1,0,0]=3 199 B6R0.4 CCCCB(O)O AK-44016 [0,2,0,0,0,0|0,0,2]=4 200 B6R0.4 CCCCC([O-])=O AK163205 [0,2,0,0,0,0|0,0,0]=2 201 B6R0.4 CN(C)CCCBr AK-35747 [0,2,0,0,0,0|1,0,1]=4 202 B6R0.4 CN(C)CCCCl AK-25287 [0,2,0,0,0,0|1,0,1]=4 203 B6R0.4 CN(C)CCCCl AK113440 [0,2,0,0,0,0|1,0,1]=4 204 B6R0.4 CN(CCNC)C AK-64867 [0,2,0,0,0,0|2,0,0]=4 205 B6R0.4 NC(OCCC)=O AK116320 [0,2,0,0,0,0|0,0,0]=2 206 B6R0.4 O=C(N)NCCO AK121931 [0,2,0,0,0,0|1,0,0]=3 207 B6R0.4 O=C(O)CCC#N AK-47909 [0,2,0,0,0,0|0,0,1]=3 208 B6R0.4 O=C(O)CCCCl AK113749 [0,2,0,0,0,0|0,0,0]=2 209 B6R0.4 O=C(O)CCCN AK-43987 [0,2,0,0,0,0|0,0,0]=2 210 B6R0.4 O=C(O)CCNC AK155866 [0,2,0,0,0,0|0,0,0]=2 211 B6R0.4 O=C(O)CCOC AK-88477 [0,2,0,0,0,0|0,0,0]=2 212 B6R0.4 OC(=O)CCC#C AK-32594 [0,2,0,0,0,0|0,0,1]=3 213 B6R0.4 OCNCC(=O)[O-] AK-79027 [0,2,0,0,0,0|1,0,0]=3 214 B6R0.5 BrCCP(O)(O)=O AK113299 [0,2,0,0,0,0|2,0,0]=4 215 B6R0.5 CC(C)(N)CCO AK146046 [0,2,0,0,0,0|0,0,2]=4 216 B6R0.5 CCCS(=O)(N)=O AK113525 [0,2,0,0,0,0|1,0,0]=3 217 B6R0.5 CS(=O)(OCC)=O AK544582 [0,2,0,0,0,0|2,0,0]=4 218 B6R0.5 NCCP(O)(O)=O AK113300 [0,2,0,0,0,0|2,0,0]=4 219 B6R0.5 NCCS(=O)(N)=O AK145430 [0,2,0,0,0,0|2,0,0]=4 220 B6R0.5 NCC[S](=O)(=O)C AK-39784 [0,2,0,0,0,0|2,0,0]=4 221 B6R0.6 BrCCCCCBr AK134932 [0,2,0,0,0,0|1,0,1]=4 222 B6R0.6 BrCCNCCBr AK-72773 [0,2,0,0,0,0|1,0,1]=4 223 B6R0.6 C(CCO)CCBr AK-72934 [0,2,0,0,0,0|0,0,2]=4 224 B6R0.6 C=CCCCCBr AK-48086 [0,2,0,0,0,0|1,0,0]=3 225 B6R0.6 CCCNCCO AK-60790 [0,2,0,0,0,0|0,0,2]=4 226 B6R0.6 C\C=C\CCCO AK-46431 [0,2,0,0,0,0|1,0,0]=3 227 B6R0.6 ClCCCCC=O AK110863 [0,2,0,0,0,0|0,0,0]=2 228 B6R0.6 ClCCNCCCl AK-44109 [0,2,0,0,0,0|1,0,1]=4 229 B6R0.6 ClCCOCCO AK114565 [0,2,0,0,0,0|0,0,2]=4 230 B6R0.6 FCCCCCBr AK-48229 [0,2,0,0,0,0|1,0,1]=4 231 B6R0.6 O=CCCCCO AK-40206 [0,2,0,0,0,0|0,0,0]=2 232 B6R0.6 OCCCCNC AK112657 [0,2,0,0,0,0|0,0,2]=4 233 B6R0.8 BrCC(Br)(Br)C=O AK111112 [0,2,0,0,0,0|1,0,0]=3 234 B6R0.8 C#CC(N)(C)CC AK-78920 [0,2,0,0,0,0|1,0,1]=4 235 B6R0.8 CCC(C)(N)C#N AK119556 [0,2,0,0,0,0|1,0,1]=4 236 B6R0.9 COC(OC)C=O AK-65152 [0,2,0,0,0,0|1,0,0]=3 237 B4R1.1 N1CCC1 AK-23880 [1,0,0,1,0,0|1,0,0]=3 238 B6R1.2 C1C(COC1)O AK-46125 [0,1,0,1,0,0|0,0,2]=4 239 B6R1.2 CC1CNCC1 AK-46149 [0,1,0,1,0,0|1,0,1]=4 240 B6R1.2 C[C@@H]1CCCN1 AK-28779 [0,1,0,1,0,0|1,0,1]=4 241 B6R1.2 C[C@@H]1CNCC1 AK-45142 [0,1,0,1,0,0|1,0,1]=4 242 B6R1.2 FC1CNCC1 AK-38962 [0,1,0,1,0,0|1,0,1]=4 243 B6R1.2 F[C@@H]1CCNC1 AK-30244 [0,1,0,1,0,0|1,0,1]=4 244 B6R1.2 F[C@H]1CCNC1 AK-32303 [0,1,0,1,0,0|1,0,1]=4 245 B6R1.2 IC1COCC1 AK162325 [0,1,0,1,0,0|0,0,2]=4 246 B6R1.2 I[C@H]1COCC1 AK170642 [0,1,0,1,0,0|0,0,2]=4 247 B6R1.2 N1CCC(O)C1 AK-27184 [0,1,0,1,0,0|0,0,2]=4 248 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [0,1,0,1,0,0|1,0,1]=4 249 B6R1.2 NC1=NCCC1 AK-81762 [0,1,0,1,0,0|1,0,0]=3 250 B6R1.2 NC1CC=CC1 AK-44792 [0,1,0,1,0,0|1,0,0]=3 251 B6R1.2 NC1CNCC1 AK-24781 [0,1,0,1,0,0|1,0,1]=4 252 B6R1.2 NC1COCC1 AK-25569 [0,1,0,1,0,0|0,0,2]=4 253 B6R1.2 N[C@@H]1CNCC1 AK-46300 [0,1,0,1,0,0|1,0,1]=4 254 B6R1.2 N[C@@H]1COCC1 AK-32266 [0,1,0,1,0,0|0,0,2]=4 255 B6R1.2 N[C@H]1CNCC1 AK-47751 [0,1,0,1,0,0|1,0,1]=4 256 B6R1.2 N[C@H]1CNCC1 AK-80471 [0,1,0,1,0,0|1,0,1]=4 257 B6R1.2 O1CC[C@H](C1)N AK-32944 [0,1,0,1,0,0|0,0,2]=4 258 B6R1.2 O=C1CC=NN1 AK-90809 [0,1,0,1,0,0|1,0,1]=4 259 B6R1.2 O=C1CCNC1 AK-46584 [0,1,0,1,0,0|0,0,0]=2 260 B6R1.2 O=C1CCOC1 AK-27035 [0,1,0,1,0,0|0,0,0]=2 261 B6R1.2 O=C1CSCC1 AK-40135 [0,1,0,1,0,0|0,0,0]=2 262 B6R1.2 O=C1NNCC1 AK-46169 [0,1,0,1,0,0|1,0,0]=3 263 B6R1.2 O=C1NOCC1 AK122832 [0,1,0,1,0,0|1,0,0]=3 264 B6R1.2 O=C1OCC=C1 AK163254 [0,1,0,1,0,0|0,0,2]=4 265 B6R1.2 O=C1OCCN1 AK-94050 [0,1,0,1,0,0|1,0,0]=3 266 B6R1.2 O=C1OCCO1 AK101077 [0,1,0,1,0,0|1,0,0]=3 267 B6R1.2 O=C1SCCN1 AK-89361 [0,1,0,1,0,0|1,0,0]=3 268 B6R1.2 OC1CNCC1 AK-53403 [0,1,0,1,0,0|0,0,2]=4 269 B6R1.2 OC1CNCC1 AK134933 [0,1,0,1,0,0|0,0,2]=4 270 B6R1.2 O[C@@H]1CCNC1 AK-32737 [0,1,0,1,0,0|0,0,2]=4 271 B6R1.2 O[C@@H]1CCOC1 AK-36591 [0,1,0,1,0,0|0,0,2]=4 272 B6R1.2 O[C@@H]1CNCC1 AK-32613 [0,1,0,1,0,0|0,0,2]=4 273 B6R1.2 O[C@@H]1CNCC1 AK-33013 [0,1,0,1,0,0|0,0,2]=4 274 B6R1.2 O[C@H]1CCOC1 AK-36590 [0,1,0,1,0,0|0,0,2]=4 275 B6R1.2 O[C@H]1CNCC1 AK-25701 [0,1,0,1,0,0|0,0,2]=4 276 B6R1.3 NCCC1CC1 AK-88169 [0,1,0,1,0,0|1,0,1]=4 277 B6R1.3 NOCC1CC1 AK110167 [0,1,0,1,0,0|0,0,2]=4 278 B6R1.3 OCCN1CC1 AK-85970 [0,1,0,1,0,0|0,0,2]=4 279 B6R1.5 NC1CC(=O)C1 AK-41683 [0,1,0,1,0,0|0,0,0]=2 280 B6R1.5 NC1CC(C)C1 AK131965 [0,1,0,1,0,0|1,0,1]=4 281 B6R1.5 O[C@H]1C[C@@H](N)C1 AK-39775 [0,1,0,1,0,0|0,0,2]=4 282 B6R1.5 O[C@H]1C[C@H](N)C1 AK-76970 [0,1,0,1,0,0|0,0,2]=4 283 B6R1.10 CC1(C)CNC1 AK139188 [0,1,0,1,0,0|2,0,0]=4 284 B6R1.10 NC1(C)CCC1 AK117597 [0,1,0,1,0,0|1,0,1]=4 285 B6R1.10 NC1(C)COC1 AK-57022 [0,1,0,1,0,0|2,0,0]=4 286 B6R1.10 OC1(C)CNC1 AK142848 [0,1,0,1,0,0|2,0,0]=4 287 B6R1.10 OC1(C)COC1 AK112914 [0,1,0,1,0,0|2,0,0]=4 288 B6R1.11 CC(N)C1CC1 AK-59911 [0,1,0,1,0,0|1,0,1]=4 289 B6R1.11 C[C@H](N)C1CC1 AK166914 [0,1,0,1,0,0|1,0,1]=4 290 B6R1.11 N=C(C1CC1)N AK-61863 [0,1,0,1,0,0|1,0,0]=3 291 B6R1.11 OB(C1CC1)O AK-25947 [0,1,0,1,0,0|1,0,1]=4 292 B6R1.1 C1CC=CCN1 AK-91689 [0,1,0,1,0,0|1,0,0]=3 293 B6R1.1 C1CCNNC1 AK-81490 [0,1,0,1,0,0|1,0,1]=4 294 B6R1.1 C1CSCCN1 AK110355 [0,1,0,1,0,0|0,1,1]=4 295 B6R1.1 N1CCOCC1 AK116221 [0,1,0,1,0,0|0,0,2]=4 296 B6R1.1 O1CNCCC1 AK-82623 [0,1,0,1,0,0|0,0,2]=4 297 B6R1.1 O1NCCCC1 AK156568 [0,1,0,1,0,0|0,0,2]=4 298 B6R1.1 [NH2+]1CCCCC1 AK-41004 [0,1,0,1,0,0|1,0,1]=4 299 B6R1.1 [NH2+]1CCCCC1 AK-97257 [0,1,0,1,0,0|1,0,1]=4 300 B6R1.6 CNC1CCC1 AK157567 [0,1,0,1,0,0|1,0,1]=4 301 B6R1.6 CNC1CNC1 AK158168 [0,1,0,1,0,0|2,0,0]=4 302 B6R1.6 COC1CNC1 AK-30498 [0,1,0,1,0,0|2,0,0]=4 303 B6R1.6 N#CC1CNC1 AK-49711 [0,1,0,1,0,0|1,0,1]=4 304 B6R1.6 N1CC(C1)CO AK-38948 [0,1,0,1,0,0|0,0,2]=4 305 B6R1.6 NCC1CCC1 AK-40089 [0,1,0,1,0,0|1,0,1]=4 306 B6R1.6 NCC1CNC1 AK-39033 [0,1,0,1,0,0|1,0,1]=4 307 B6R1.6 NNC1CCC1 AK-51694 [0,1,0,1,0,0|1,0,1]=4 308 B6R1.6 O1CC(C1)CN AK-41045 [0,1,0,1,0,0|1,0,1]=4 309 B6R1.6 OCC1CCO1 AK-64713 [0,1,0,1,0,0|0,0,2]=4 310 B6R1.6 OCC1COC1 AK-43870 [0,1,0,1,0,0|0,0,2]=4 311 B6R1.6 OC[C@H]1NCC1 AK-59466 [0,1,0,1,0,0|0,0,2]=4 312 B6R1.7 NC1(CC1)C#N AK-24893 [0,1,0,1,0,0|1,0,1]=4 313 B6R1.7 NCC1(C)CC1 AK159118 [0,1,0,1,0,0|1,0,1]=4 314 B6R1.7 OC1(CN)CC1 AK-77569 [0,1,0,1,0,0|1,0,1]=4 315 B6R1.7 OCC1(N)CC1 AK-32789 [0,1,0,1,0,0|0,0,2]=4