0 B5R0.3 C(C(CN)O)N AK-49066 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 C=CC(NC)=O AK115593 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.3 C=C[C@H](N)CO AK-78923 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 CC(CCl)CBr AK112650 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 CCC(CN)=O AK-38468 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.3 CCC(CO)=O AK149491 [0,0,0,0,0,0|1,0,3]=4 6 B5R0.3 CCC(N)CO AK-57405 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 CC[C@@H](O)CO AK110229 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.3 CC[C@H](N)CO AK-86460 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 CC[C@H](O)CO AK110230 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.3 C[C@@H](OC)CN AK153940 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.3 NOC(C=C)C AK550274 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.3 O=C[C@H](O)CO AK122382 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.3 OC(CCl)CN AK123258 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.3 OC[C@@H](O)CN AK-35849 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.3 OC[C@H](O)CN AK-36032 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.3 O[C@H](CCl)CN AK123304 [0,0,0,0,0,0|2,0,1]=3 17 B4R0.1 C=CC([O-])=O AK160082 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 CC(C)ON AK-81639 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 CC(NN)C AK-46728 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 CCB(O)O AK-25979 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 CCC(N)=N AK-48186 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 C[C@@H](N)CO AK-46726 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 C[C@@H](O)CCl AK-73033 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 C[C@@H](O)CN AK-76466 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 C[C@@H](O)CO AK158454 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 C[C@H](N)C#C AK167739 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 C[C@H](N)CN AK-51561 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 C[C@H](O)CN AK-72977 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 C[C@H](O)CO AK111153 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 NC(C)CO AK-46466 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 O=C(O)CN AK-77854 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 ONC(C)C AK117015 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.2 BrCCNC AK153488 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.2 C#CCCN AK-81795 [1,0,0,0,0,0|1,0,2]=4 35 B4R0.2 C(Br)CCN AK-73071 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 C=CCCN AK165308 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.2 C=CC[Pd]Cl AK327212 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.2 ClCCNC AK123132 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 ICCCI AK126057 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.2 N#CCNC AK-46627 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 NCCCCl AK164441 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 NNCCC AK-76893 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.2 NNCCO AK-41264 [1,0,0,0,0,0|3,0,0]=4 44 B4R0.2 NOCC=C AK208821 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.2 NOCCN AK-72573 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.2 OCCCBr AK-77055 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.1 C=CC[C@@H](N)CO AK684514 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.1 CCC[C@H](N)CO AK-81386 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.1 N#CC[C@H](O)CCl AK-33074 [0,1,0,0,0,0|1,0,2]=4 50 B6R0.1 O=C(OC)\C=C\I AK-49986 [0,1,0,0,0,0|1,0,2]=4 51 B6R0.1 OCC(O)CNC AK-68394 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.3 C(=O)([C@H](N)CS)O AK-51501 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.3 C(C(C(C)C)N)O AK-46643 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.3 C(C(C(O)=O)N)O AK-46543 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.3 C(C(N)C(O)=O)C AK-46591 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.3 C(S)C(N)C(O)=O AK-73021 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.3 CC(C)C(N)CO AK-62680 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.3 CC(N(CC)C)=O AK149250 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.3 CCC(=O)C(O)=O AK-48379 [0,1,0,0,0,0|1,0,2]=4 60 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [0,1,0,0,0,0|1,0,0]=2 65 B6R0.3 COC(C)C(O)=O AK-49797 [0,1,0,0,0,0|3,0,0]=4 66 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [0,1,0,0,0,0|3,0,0]=4 67 B6R0.3 C[C@@H](O)[C@H](N)CO AK-61256 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.3 C[C@H](NC)C(O)=O AK134597 [0,1,0,0,0,0|3,0,0]=4 69 B6R0.3 C[C@H](O)[C@@H](N)CO AK-81264 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.3 C[C@H](OC)C(O)=O AK167072 [0,1,0,0,0,0|3,0,0]=4 71 B6R0.3 C\C=C(O)\C(O)=O AK149482 [0,1,0,0,0,0|1,0,2]=4 72 B6R0.3 NC(CO)C(O)=O AK-41368 [0,1,0,0,0,0|3,0,0]=4 73 B6R0.3 N[C@@H](CO)C(N)=O AK-81285 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.3 N[C@@H](CS)C(O)=O AK-48312 [0,1,0,0,0,0|3,0,0]=4 75 B6R0.3 N[C@@H](CS)C(O)=O AK-49861 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.3 N[C@H](CN)C(O)=O AK-31407 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.3 O=C(O)C(C)CBr AK116257 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.3 O=C(O)C(N)CN AK-44800 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.3 O=C(O)C(O)CO AK114312 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.3 O=C(O)[C@@H](N)CN AK-25439 [0,1,0,0,0,0|3,0,0]=4 81 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.3 O=C(O)[C@@H](N)CS AK-61915 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.3 O=C(O)[C@@H](O)CN AK-75855 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.3 O=C(O)[C@H](N)CCl AK-90315 [0,1,0,0,0,0|3,0,0]=4 85 B6R0.3 O=C(O)[C@H](N)CCl AK122809 [0,1,0,0,0,0|3,0,0]=4 86 B6R0.3 O=C(O)[C@H](N)CS AK175126 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.3 [C@@H](N)(C(C)C)CO AK-46511 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.8 BrCC(Br)(Br)C=O AK111112 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.8 C#CC(N)(C)CC AK-78920 [0,1,0,0,0,0|1,0,2]=4 90 B6R0.8 CCC(C)(N)C#N AK119556 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.9 COC(OC)C=O AK-65152 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.9 OCC(CO)CO AK-81647 [0,1,0,0,0,0|2,0,1]=4 93 B6R1.2 C1C(COC1)O AK-46125 [0,0,0,1,0,0|1,0,1]=3 94 B6R1.2 CC1CNCC1 AK-46149 [0,0,0,1,0,0|2,0,1]=4 95 B6R1.2 C[C@@H]1CCCN1 AK-28779 [0,0,0,1,0,0|2,0,1]=4 96 B6R1.2 C[C@@H]1CNCC1 AK-45142 [0,0,0,1,0,0|2,0,1]=4 97 B6R1.2 FC1CNCC1 AK-38962 [0,0,0,1,0,0|2,0,1]=4 98 B6R1.2 F[C@@H]1CCNC1 AK-30244 [0,0,0,1,0,0|2,0,1]=4 99 B6R1.2 F[C@H]1CCNC1 AK-32303 [0,0,0,1,0,0|2,0,1]=4 100 B6R1.2 IC1COCC1 AK162325 [0,0,0,1,0,0|2,0,1]=4 101 B6R1.2 I[C@H]1COCC1 AK170642 [0,0,0,1,0,0|2,0,1]=4 102 B6R1.2 N1CCC(O)C1 AK-27184 [0,0,0,1,0,0|1,0,1]=3 103 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [0,0,0,1,0,0|2,0,1]=4 104 B6R1.2 NC1CC=CC1 AK-44792 [0,0,0,1,0,0|1,0,2]=4 105 B6R1.2 NC1CNCC1 AK-24781 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.2 NC1COCC1 AK-25569 [0,0,0,1,0,0|2,0,1]=4 107 B6R1.2 N[C@@H]1CNCC1 AK-46300 [0,0,0,1,0,0|2,0,1]=4 108 B6R1.2 N[C@@H]1COCC1 AK-32266 [0,0,0,1,0,0|2,0,1]=4 109 B6R1.2 N[C@H]1CNCC1 AK-47751 [0,0,0,1,0,0|2,0,1]=4 110 B6R1.2 N[C@H]1CNCC1 AK-80471 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.2 O1CC[C@H](C1)N AK-32944 [0,0,0,1,0,0|2,0,1]=4 112 B6R1.2 O=C1OCC=C1 AK163254 [0,0,0,1,0,0|1,0,2]=4 113 B6R1.2 OC1=NNC=C1 AK-96005 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.2 OC1CNCC1 AK-53403 [0,0,0,1,0,0|1,0,1]=3 115 B6R1.2 OC1CNCC1 AK134933 [0,0,0,1,0,0|1,0,1]=3 116 B6R1.2 ON1N=CC=C1 AK115932 [0,0,0,1,0,0|2,0,1]=4 117 B6R1.2 O[C@@H]1CCNC1 AK-32737 [0,0,0,1,0,0|1,0,1]=3 118 B6R1.2 O[C@@H]1CCOC1 AK-36591 [0,0,0,1,0,0|1,0,1]=3 119 B6R1.2 O[C@@H]1CNCC1 AK-32613 [0,0,0,1,0,0|1,0,1]=3 120 B6R1.2 O[C@@H]1CNCC1 AK-33013 [0,0,0,1,0,0|1,0,1]=3 121 B6R1.2 O[C@H]1CCOC1 AK-36590 [0,0,0,1,0,0|1,0,1]=3 122 B6R1.2 O[C@H]1CNCC1 AK-25701 [0,0,0,1,0,0|1,0,1]=3 123 B6R1.6 CNC1CCC1 AK157567 [0,0,0,1,0,0|2,0,1]=4 124 B6R1.6 NCC1CCC1 AK-40089 [0,0,0,1,0,0|2,0,1]=4 125 B6R1.6 NNC1CCC1 AK-51694 [0,0,0,1,0,0|3,0,0]=4 126 B6R1.6 OCC1CCO1 AK-64713 [0,0,0,1,0,0|1,0,1]=3 127 B6R1.6 OC[C@H]1NCC1 AK-59466 [0,0,0,1,0,0|2,0,1]=4 128 B6R1.7 NC1(CC1)C#N AK-24893 [0,0,0,1,0,0|2,0,1]=4 129 B6R1.7 NCC1(C)CC1 AK159118 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.7 OC1(CN)CC1 AK-77569 [0,0,0,1,0,0|1,0,1]=3 131 B6R1.7 OCC1(N)CC1 AK-32789 [0,0,0,1,0,0|2,0,1]=4 132 B3R0.1 C(N)CBr AK-41589 [2,0,0,0,0,0|2,0,0]=4 133 B3R0.1 CCNC AK325076 [2,0,0,0,0,0|1,0,1]=4 134 B3R0.1 FCCN AK-45730 [2,0,0,0,0,0|2,0,0]=4 135 B3R0.1 NOCC AK-45000 [2,0,0,0,0,0|2,0,0]=4 136 B3R0.1 ONCC AK162979 [2,0,0,0,0,0|1,0,0]=3 137 B3R0.2 CB(O)O AK-47269 [2,0,0,0,0,0|2,0,0]=4 138 B3R0.2 CC(O)=O AK-76644 [2,0,0,0,0,0|1,0,1]=4 139 B3R0.2 CC(O)=O AK111414 [2,0,0,0,0,0|1,0,1]=4 140 B5R0.1 C(C(=O)O)NC AK-47434 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.1 CC(N)CCO AK-81869 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.1 CCCB(O)O AK-47948 [1,1,0,0,0,0|2,0,0]=4 143 B5R0.1 C[C@@H](N)CCC AK608015 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.1 C[C@@H](N)CCO AK-41725 [1,1,0,0,0,0|1,0,1]=4 145 B5R0.1 C[C@@H](N)COC AK-72611 [1,1,0,0,0,0|1,0,1]=4 146 B5R0.1 C[C@@H](O)CCO AK-86774 [1,1,0,0,0,0|0,0,1]=3 147 B5R0.1 C[C@H](N)CCC AK171191 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.1 C[C@H](N)CCO AK-41726 [1,1,0,0,0,0|1,0,1]=4 149 B5R0.1 NCCC(O)=O AK-41261 [1,1,0,0,0,0|1,0,1]=4 150 B5R0.1 O=P(CCN)O AK477259 [1,1,0,0,0,0|2,0,0]=4 151 B5R0.4 CC(O)(C)CN AK-37803 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.4 CC(O)(C)CO AK112021 [1,1,0,0,0,0|1,0,1]=4 153 B5R0.5 C=C(F)C(O)=O AK107642 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.5 CC(B(O)O)C AK-46096 [1,1,0,0,0,0|2,0,0]=4 155 B5R0.5 CC(C)C(N)=O AK-80490 [1,1,0,0,0,0|2,0,0]=4 156 B5R0.5 CC(O)C([O-])=O AK114515 [1,1,0,0,0,0|1,0,0]=3 157 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [1,1,0,0,0,0|2,0,0]=4 158 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [1,1,0,0,0,0|1,0,1]=4 159 B5R0.5 C[C@H](N)C(N)=O AK-46287 [1,1,0,0,0,0|2,0,0]=4 160 B5R0.5 C[C@H](O)C([O-])=O AK121770 [1,1,0,0,0,0|1,0,0]=3 161 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [1,1,0,0,0,0|2,0,0]=4 162 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [1,1,0,0,0,0|1,0,1]=4 163 B5R0.5 N[C@@H](C)C(O)=O AK650445 [1,1,0,0,0,0|1,0,1]=4 164 B5R0.2 BrCCCC#N AK110352 [1,1,0,0,0,0|1,0,1]=4 165 B5R0.2 C(CCN)CN AK-46742 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.2 C=CCCCO AK325629 [1,1,0,0,0,0|0,0,0]=2 167 B5R0.2 ClCCCCBr AK105174 [1,1,0,0,0,0|1,0,1]=4 168 B5R0.2 ICCCCCl AK116716 [1,1,0,0,0,0|1,0,1]=4 169 B5R0.2 ICCCCI AK112667 [1,1,0,0,0,0|1,0,1]=4 170 B5R0.2 N#CCCNC AK116969 [1,1,0,0,0,0|1,0,1]=4 171 B5R0.2 N#CCCOC AK-46138 [1,1,0,0,0,0|1,0,1]=4 172 B5R0.2 NCCCCBr AK-51681 [1,1,0,0,0,0|1,0,1]=4 173 B5R0.2 NOCCCC AK-85835 [1,1,0,0,0,0|1,0,1]=4 174 B5R0.2 OCCCCN AK-58038 [1,1,0,0,0,0|1,0,1]=4 175 B5R0.2 OCCCNC AK112615 [1,1,0,0,0,0|1,0,1]=4 176 B7R0.2 CCC(N)CC(O)=O AK-45971 [0,2,0,0,0,0|1,0,1]=4 177 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [0,2,0,0,0,0|1,0,1]=4 178 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.3 C=CC(NCCN)=O AK142923 [0,2,0,0,0,0|0,0,2]=4 180 B7R0.3 CCCCC(O)CO AK161793 [0,2,0,0,0,0|1,0,1]=4 181 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [0,2,0,0,0,0|1,0,0]=3 183 B7R0.5 COCC(N)C(O)=O AK-87739 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.5 NC(CCO)C(O)=O AK-41514 [0,2,0,0,0,0|2,0,0]=4 185 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [0,2,0,0,0,0|2,0,0]=4 186 B7R0.5 O=C(O)C(N)CCN AK-44002 [0,2,0,0,0,0|2,0,0]=4 187 B7R0.5 O=C(O)C(O)CCN AK-75839 [0,2,0,0,0,0|1,0,0]=3 188 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [0,2,0,0,0,0|2,0,0]=4 189 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [0,2,0,0,0,0|2,0,0]=4 190 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [0,2,0,0,0,0|1,0,0]=3 191 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [0,2,0,0,0,0|2,0,0]=4 192 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [0,2,0,0,0,0|2,0,0]=4 193 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [0,2,0,0,0,0|2,0,0]=4 194 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [0,2,0,0,0,0|2,0,0]=4 195 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [0,2,0,0,0,0|2,0,0]=4 197 B7R0.7 C(OC)C(O)COC AK-46679 [0,2,0,0,0,0|0,0,2]=4 198 B7R0.7 O=C(OCC)\C=C\I AK117013 [0,2,0,0,0,0|0,0,2]=4 199 B7R0.10 CCC(N)C(OC)=O AK115477 [0,2,0,0,0,0|1,0,1]=4 200 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [0,2,0,0,0,0|1,0,1]=4 202 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [0,2,0,0,0,0|1,0,1]=4 203 B7R0.10 COC(O)C(=O)OC AK-33946 [0,2,0,0,0,0|1,0,1]=4 204 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [0,2,0,0,0,0|1,0,1]=4 205 B7R0.10 OC[C@@H](O)[C@@H](O)CO AK128364 [0,2,0,0,0,0|1,0,1]=4 206 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [0,2,0,0,0,0|1,0,1]=4 207 B7R0.13 BrC[C@](C(=O)O)(C)O AK-34422 [0,2,0,0,0,0|2,0,0]=4 208 B7R0.13 CCC(C)(C)C(O)=O AK-54450 [0,2,0,0,0,0|2,0,0]=4 209 B7R0.13 N[C@@](C(O)=O)(CC)C AK-81295 [0,2,0,0,0,0|2,0,0]=4 210 B7R0.13 N[C@](C(O)=O)(CC)C AK-81168 [0,2,0,0,0,0|2,0,0]=4 211 B7R0.15 CC(C)C(CC)CO AK-40568 [0,2,0,0,0,0|0,0,2]=4 212 B7R0.15 CCC(CC)C([O-])=O AK161891 [0,2,0,0,0,0|2,0,0]=4 213 B7R0.16 CC(C)C(C)C(O)=O AK-78535 [0,2,0,0,0,0|2,0,0]=4 214 B7R0.16 CC(C)C(O)C(O)=O AK140040 [0,2,0,0,0,0|1,0,0]=3 215 B7R0.16 CC(C)[C@H](N)C(O)=O AK-93420 [0,2,0,0,0,0|2,0,0]=4 216 B7R0.16 CC(C)[C@H](O)C(O)=O AK146081 [0,2,0,0,0,0|1,0,0]=3 217 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O AK-44858 [0,2,0,0,0,0|2,0,0]=4 218 B7R0.16 C[C@H](O)[C@@H](N)C(O)=O AK-76468 [0,2,0,0,0,0|2,0,0]=4 219 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O AK-51518 [0,2,0,0,0,0|2,0,0]=4 220 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O AK-81288 [0,2,0,0,0,0|2,0,0]=4 221 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O AK-46647 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.16 N[C@H](C(C)C)C(N)=O AK-49356 [0,2,0,0,0,0|2,0,0]=4 223 B7R0.16 N[C@H]([C@H](O)C)C(O)=O AK-47520 [0,2,0,0,0,0|2,0,0]=4 224 B7R0.16 [C@H](N)(C(C)C)C(N)=O AK-81293 [0,2,0,0,0,0|2,0,0]=4 225 B5R1.2 OC1CNC1 AK-25536 [1,0,0,1,0,0|1,0,1]=4 226 B5R1.2 OC1COC1 AK-32210 [1,0,0,1,0,0|1,0,1]=4 227 B5R1.5 NC1(C)CC1 AK-51148 [1,0,0,1,0,0|1,0,1]=4 228 B5R1.1 N1CC=CC1 AK-35945 [1,0,0,1,0,0|1,0,0]=3 229 B7R1.1 BrCC1CCOC1 AK-51697 [0,1,0,1,0,0|1,0,1]=4 230 B7R1.1 BrCC1OCCO1 AK110803 [0,1,0,1,0,0|1,0,1]=4 231 B7R1.1 C(C1CCCC1)O AK-46653 [0,1,0,1,0,0|0,0,2]=4 232 B7R1.1 CCC1=CC=CS1 AK-76635 [0,1,0,1,0,0|0,1,1]=4 233 B7R1.1 CCC1=NC=CN1 AK161825 [0,1,0,1,0,0|1,0,1]=4 234 B7R1.1 CCC1=NN=CO1 AK-50871 [0,1,0,1,0,0|1,0,1]=4 235 B7R1.1 CCN1C=CN=C1 AK-47598 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.1 CCN1N=CC=C1 AK-39994 [0,1,0,1,0,0|2,0,0]=4 237 B7R1.1 CNC1COCC1 AK-48592 [0,1,0,1,0,0|1,0,1]=4 238 B7R1.1 COC1CNCC1 AK-33180 [0,1,0,1,0,0|1,0,1]=4 239 B7R1.1 CO[C@@H]1CNCC1 AK-36107 [0,1,0,1,0,0|1,0,1]=4 240 B7R1.1 CO[C@H]1CNCC1 AK-35279 [0,1,0,1,0,0|1,0,1]=4 241 B7R1.1 ClCC1=CN=CO1 AK143331 [0,1,0,1,0,0|1,0,1]=4 242 B7R1.1 ClCC1=NC=CO1 AK-33839 [0,1,0,1,0,0|1,0,1]=4 243 B7R1.1 NCC1=CN=CO1 AK-25086 [0,1,0,1,0,0|1,0,1]=4 244 B7R1.1 NCC1=NC=CO1 AK-48266 [0,1,0,1,0,0|1,0,1]=4 245 B7R1.1 NCC1CCOC1 AK-33831 [0,1,0,1,0,0|1,0,1]=4 246 B7R1.1 NCC1COCC1 AK-50648 [0,1,0,1,0,0|1,0,1]=4 247 B7R1.1 OCC1=CC=NO1 AK-68490 [0,1,0,1,0,0|1,0,1]=4 248 B7R1.1 OCC1=CN=CO1 AK-25343 [0,1,0,1,0,0|1,0,1]=4 249 B7R1.1 OCC1=COC=C1 AK-46116 [0,1,0,1,0,0|1,0,1]=4 250 B7R1.1 OCC1=NC=CO1 AK-29821 [0,1,0,1,0,0|1,0,1]=4 251 B7R1.1 OCC1=NOC=C1 AK-25087 [0,1,0,1,0,0|1,0,1]=4 252 B7R1.1 OCC1CC=CC1 AK-48070 [0,1,0,1,0,0|0,0,2]=4 253 B7R1.1 OCC1CCCN1 AK-40306 [0,1,0,1,0,0|1,0,1]=4 254 B7R1.1 OCC1CNCC1 AK-26048 [0,1,0,1,0,0|1,0,1]=4 255 B7R1.1 OCC1CNCC1 AK-38963 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.1 OCC1CNCC1 AK105115 [0,1,0,1,0,0|1,0,1]=4 257 B7R1.1 OCC1COCC1 AK-51698 [0,1,0,1,0,0|1,0,1]=4 258 B7R1.1 OCC1OCCC1 AK106959 [0,1,0,1,0,0|1,0,1]=4 259 B7R1.1 OCC1OCCO1 AK159792 [0,1,0,1,0,0|1,0,1]=4 260 B7R1.1 OCC1OCOC1 AK112875 [0,1,0,1,0,0|1,0,1]=4 261 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [0,1,0,1,0,0|1,0,1]=4 262 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [0,1,0,1,0,0|1,0,1]=4 263 B7R1.1 OC[C@H]1CNCC1 AK-32836 [0,1,0,1,0,0|1,0,1]=4 264 B7R1.1 OC[C@H]1CNCC1 AK108367 [0,1,0,1,0,0|1,0,1]=4 265 B7R1.1 OC[C@H]1COCC1 AK129134 [0,1,0,1,0,0|1,0,1]=4 266 B7R1.1 OC[C@H]1NCCC1 AK-46693 [0,1,0,1,0,0|1,0,1]=4 267 B7R1.2 CN1C[C@H](O)CC1 AK-44894 [0,1,0,1,0,0|0,0,2]=4 268 B7R1.2 N[C@@H]1CC[C@H](O)C1 AK105087 [0,1,0,1,0,0|0,0,2]=4 269 B7R1.2 N[C@H]1C[C@H](O)CC1 AK-65339 [0,1,0,1,0,0|0,0,2]=4 270 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,1,0,1,0,0|1,0,1]=4 271 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,1,0,1,0,0|1,0,1]=4 272 B7R1.2 O=C1OC(C)CC1 AK117314 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.2 OC1CC(N)CC1 AK-64395 [0,1,0,1,0,0|0,0,2]=4 274 B7R1.2 OC1CN(C)CC1 AK-29830 [0,1,0,1,0,0|0,0,2]=4 275 B7R1.2 O[C@@H]1CN(C)CC1 AK-44893 [0,1,0,1,0,0|0,0,2]=4 276 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,1,0,1,0,0|1,0,1]=4 277 B7R1.2 O[C@@H]1C[C@@H](N)CC1 AK122534 [0,1,0,1,0,0|0,0,2]=4 278 B7R1.3 C1CC(CCO1)O AK-25581 [0,1,0,1,0,0|0,0,2]=4 279 B7R1.3 O1CCCC(C1)O AK-32117 [0,1,0,1,0,0|0,0,2]=4 280 B7R1.3 O=C1COCC=C1 AK120133 [0,1,0,1,0,0|0,0,2]=4 281 B7R1.3 O=C1NCCC=C1 AK110027 [0,1,0,1,0,0|0,0,2]=4 282 B7R1.3 OC1CCNCC1 AK-46522 [0,1,0,1,0,0|0,0,2]=4 283 B7R1.3 OC1CCNCC1 AK-80456 [0,1,0,1,0,0|0,0,2]=4 284 B7R1.3 OC1COCOC1 AK-85976 [0,1,0,1,0,0|1,0,1]=4 285 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [0,1,0,1,0,0|0,0,2]=4 286 B7R1.3 O[C@H]1CCCNC1 AK-29273 [0,1,0,1,0,0|0,0,2]=4 287 B7R1.4 CC1CSCC1=O AK104742 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.4 N[C@@H]1CCC[C@H]1O AK-27349 [0,1,0,1,0,0|0,0,2]=4 289 B7R1.4 N[C@@H]1CCC[C@H]1O AK-36104 [0,1,0,1,0,0|0,0,2]=4 290 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.4 N[C@H]1CCC[C@@H]1O AK-24345 [0,1,0,1,0,0|0,0,2]=4 292 B7R1.4 N[C@H]1CCC[C@H]1O AK-33189 [0,1,0,1,0,0|0,0,2]=4 293 B7R1.4 N[C@H]1CCOC1=O AK-41531 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.4 O=C1C(CCO1)Br AK-35370 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.4 O=C1C(N)CCS1 AK117085 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.4 O=C1C(O)=CCC1 AK-43709 [0,1,0,1,0,0|0,0,2]=4 297 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [0,1,0,1,0,0|1,0,0]=3 298 B7R1.4 O=C1NCC[C@H]1N AK-43088 [0,1,0,1,0,0|2,0,0]=4 299 B7R1.4 O=C1NCC[C@H]1O AK-39107 [0,1,0,1,0,0|1,0,0]=3 300 B7R1.4 O=C1OCCC1N AK543042 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [0,1,0,1,0,0|1,0,0]=3 302 B7R1.4 OC1=CC=N[N]1C AK-39760 [0,1,0,1,0,0|1,0,1]=4 303 B7R1.4 OC1C(N)CCC1 AK-50447 [0,1,0,1,0,0|0,0,2]=4 304 B7R1.4 OC1CCNC1=O AK-39164 [0,1,0,1,0,0|1,0,0]=3 305 B7R1.4 O[C@@H]1[C@H](N)CCC1 AK-34210 [0,1,0,1,0,0|0,0,2]=4 306 B7R1.4 O[C@H]1CNC[C@@H]1O AK-50228 [0,1,0,1,0,0|1,0,1]=4 307 B7R1.4 O[C@H]1CNC[C@H]1O AK142193 [0,1,0,1,0,0|1,0,1]=4 308 B7R1.4 O[C@H]1COC[C@@H]1N AK129339 [0,1,0,1,0,0|1,0,1]=4 309 B7R1.4 O[C@H]1[C@H](N)CCC1 AK327767 [0,1,0,1,0,0|0,0,2]=4 310 B7R1.25 O=CC1(C)COC1 AK-64338 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.18 C(=O)(C1OCC1)O AK-38212 [0,1,0,1,0,0|1,0,0]=3 312 B7R1.18 N1CC[C@@H]1C(=O)O AK-23961 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.18 O=C(C1CCC1)N AK117552 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.18 O=C([C@@H]1NCC1)O AK118698 [0,1,0,1,0,0|2,0,0]=4 315 B7R1.18 OC(=O)C1CCN1 AK-27256 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.19 O=C(C1(C)CC1)N AK-86702 [0,1,0,1,0,0|2,0,0]=4 317 B7R1.19 O=C(C1(CC1)N)O AK-26748 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.19 OC(=O)C1(Br)CC1 AK-81458 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.14 CC1(O)CCNC1 AK-41154 [0,1,0,1,0,0|1,0,1]=4 320 B7R1.14 CC1(O)CCNC1 AK100495 [0,1,0,1,0,0|1,0,1]=4 321 B7R1.29 N#CC1(CO)CC1 AK116079 [0,1,0,1,0,0|1,0,1]=4 322 B7R1.29 OCC1(CO)CC1 AK-35012 [0,1,0,1,0,0|1,0,1]=4 323 B7R2.13 C12COCC1O2 AK-68770 [0,0,0,2,0,0|1,0,1]=4