0 B5R0.1 CC(N)CCO AK-81869 [0,0,0,0,0,0|1,1,2]=4 1 B5R0.1 CN(CCBr)C AK-35597 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 C[C@@H](N)CCC AK608015 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C[C@@H](N)CCO AK-41725 [0,0,0,0,0,0|1,1,2]=4 4 B5R0.1 C[C@@H](O)CCO AK-86774 [0,0,0,0,0,0|1,1,2]=4 5 B5R0.1 C[C@H](N)CCC AK171191 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 C[C@H](N)CCO AK-41726 [0,0,0,0,0,0|1,1,2]=4 7 B5R0.1 NCCC(N)=O AK-26218 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 NCCC(O)=O AK-41261 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 NOCC(C)=C AK550273 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 NOCC(C)C AK-83418 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 O=CCN(C)C AK136086 [0,0,0,0,0,0|1,1,2]=4 12 B5R0.1 O=CCN(C)C AK172998 [0,0,0,0,0,0|1,1,2]=4 13 B5R0.1 [O+](=C(N)N)CC AK-50388 [0,0,0,0,0,0|4,0,0]=4 14 B4R0.1 C(N)C(=O)C AK-42698 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 C=CC([O-])=O AK160082 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 CC(C)ON AK-81639 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 CC(NN)=N AK114707 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 CC(NN)C AK-46728 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CCC(N)=N AK-48186 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 C[C@@H](N)CO AK-46726 [1,0,0,0,0,0|1,1,1]=4 21 B4R0.1 C[C@@H](O)CCl AK-73033 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 C[C@@H](O)CN AK-76466 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 C[C@@H](O)CO AK158454 [1,0,0,0,0,0|1,1,1]=4 24 B4R0.1 C[C@H](N)CN AK-51561 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 C[C@H](O)CN AK-72977 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 C[C@H](O)CO AK111153 [1,0,0,0,0,0|1,1,1]=4 27 B4R0.1 C\C(N)=N\O AK-91616 [1,0,0,0,0,0|2,1,0]=4 28 B4R0.1 N=C(N)CCl AK113548 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 N=C(N)CO AK-40243 [1,0,0,0,0,0|2,1,0]=4 30 B4R0.1 N=C(N)OC AK-48234 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 N=C(N)SC AK-44125 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 NC(=O)CI AK110349 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 NC(C)CO AK-46466 [1,0,0,0,0,0|1,1,1]=4 34 B4R0.1 NC(NC)=N AK-73103 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 NC(OC)=N AK116935 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 NCC(N)=O AK-41459 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 O=C(N)CBr AK-50036 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 O=C(O)CN AK-77854 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 O=C([O-])CN AK114167 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 ONC(C)C AK117015 [1,0,0,0,0,0|1,1,1]=4 41 B4R0.2 BrCCNC AK153488 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 C=CCCN AK165308 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.2 ClCCNC AK123132 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.1 C#C\C(C)=C/CO AK116959 [0,1,0,0,0,0|0,1,1]=3 45 B6R0.1 O=C(NCC)CN AK-65785 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.1 O=C(OC)CCBr AK-91613 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.1 O=C(OC)CCN AK-46776 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.1 O=C(OC)CCO AK-83355 [0,1,0,0,0,0|1,1,1]=4 49 B6R0.1 O=C(OC)OCC AK397345 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.1 O=C(OC)\C=C\I AK-49986 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 O=C(OCC)CO AK-98662 [0,1,0,0,0,0|3,0,0]=4 52 B6R0.2 CC(C)NC(C)C AK101661 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.2 CC(NC(C)C)=O AK-86542 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,1,0,0,0,0|1,1,1]=4 55 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,1,0,0,0,0|0,1,1]=3 56 B6R0.2 NC(C)CC(C)C AK205814 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.3 C(=O)([C@H](N)CS)O AK-51501 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.3 C(C(C(C)C)N)O AK-46643 [0,1,0,0,0,0|0,1,2]=4 59 B6R0.3 C(S)C(N)C(O)=O AK-73021 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.3 CC(C)C(N)CO AK-62680 [0,1,0,0,0,0|0,1,2]=4 61 B6R0.3 CC(C)\C(N)=N\O AK117017 [0,1,0,0,0,0|1,1,1]=4 62 B6R0.3 CC(N(CC)C)=O AK149250 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.3 CCC(=O)C(O)=O AK-48379 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.3 CCC(N(C)C)=O AK105976 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.3 N[C@@H](CS)C(O)=O AK-48312 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.3 N[C@@H](CS)C(O)=O AK-49861 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.3 O=C(N(C)C)CN AK-33842 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.3 O=C(N(C)C)CN AK-39204 [0,1,0,0,0,0|2,0,0]=3 69 B6R0.3 O=C(O)[C@@H](N)CS AK-61915 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.3 O=C(O)[C@H](N)CS AK175126 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.3 [C@@H](N)(C(C)C)CO AK-46511 [0,1,0,0,0,0|0,1,2]=4 72 B6R0.4 CC(C)NCCCl AK110294 [0,1,0,0,0,0|1,0,2]=4 73 B6R0.4 CC(C)OCCBr AK110255 [0,1,0,0,0,0|1,0,2]=4 74 B6R0.4 CC(CCCCl)=O AK-48368 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.4 CC(OCCBr)=O AK165045 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.4 CN(C)CCCBr AK-35747 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.4 CN(C)CCCCl AK-25287 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.4 CN(C)CCCCl AK113440 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.4 CN(CCNC)C AK-64867 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.5 CC(C)(N)CCO AK146046 [0,1,0,0,0,0|0,1,2]=4 81 B6R0.5 ClCC[N+](C)(C)C AK115994 [0,1,0,0,0,0|2,0,1]=4 82 B6R1.2 BrC1=CSN=C1 AK-29054 [0,0,0,1,0,0|2,0,1]=4 83 B6R1.2 C1=C(N=CS1)C AK-27071 [0,0,0,1,0,0|1,0,2]=4 84 B6R1.2 C1=C([NH]N=C1)C AK-47298 [0,0,0,1,0,0|2,0,1]=4 85 B6R1.2 C1=CSC=C1I AK-73044 [0,0,0,1,0,0|1,0,2]=4 86 B6R1.2 C1=N[NH]C=C1C AK-46480 [0,0,0,1,0,0|2,0,1]=4 87 B6R1.2 CC1=CN=CS1 AK-40769 [0,0,0,1,0,0|3,0,0]=4 88 B6R1.2 CC1=CNC=C1 AK-59534 [0,0,0,1,0,0|1,0,2]=4 89 B6R1.2 CC1=CNN=N1 AK-38543 [0,0,0,1,0,0|3,0,0]=4 90 B6R1.2 CC1=NON=C1 AK-49621 [0,0,0,1,0,0|2,1,0]=4 91 B6R1.2 CC1CNCC1 AK-46149 [0,0,0,1,0,0|1,0,2]=4 92 B6R1.2 C[C@@H]1CCCN1 AK-28779 [0,0,0,1,0,0|2,0,1]=4 93 B6R1.2 C[C@@H]1CNCC1 AK-45142 [0,0,0,1,0,0|1,0,2]=4 94 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [0,0,0,1,0,0|2,0,1]=4 95 B6R1.2 NC1=NCCC1 AK-81762 [0,0,0,1,0,0|3,0,0]=4 96 B6R1.2 O=C1CCNC1 AK-46584 [0,0,0,1,0,0|2,0,1]=4 97 B6R1.2 O=C1CCOC1 AK-27035 [0,0,0,1,0,0|1,1,1]=4 98 B6R1.2 O=C1CSCC1 AK-40135 [0,0,0,1,0,0|1,0,1]=3 99 B6R1.2 O=C1NSC=C1 AK101140 [0,0,0,1,0,0|2,0,1]=4 100 B6R1.3 NCCC1CC1 AK-88169 [0,0,0,1,0,0|1,0,2]=4 101 B6R1.3 OCCN1CC1 AK-85970 [0,0,0,1,0,0|1,1,1]=4 102 B6R1.5 NC1CC(=O)C1 AK-41683 [0,0,0,1,0,0|2,0,1]=4 103 B6R1.5 NC1CC(C)C1 AK131965 [0,0,0,1,0,0|1,0,2]=4 104 B3R0.1 CCNC AK325076 [2,0,0,0,0,0|1,0,1]=4 105 B3R0.1 CONC AK-41541 [2,0,0,0,0,0|2,0,0]=4 106 B3R0.2 CC(N)=O AK-97258 [2,0,0,0,0,0|1,1,0]=4 107 B3R0.2 CC(O)=O AK-76644 [2,0,0,0,0,0|1,1,0]=4 108 B3R0.2 CC(O)=O AK111414 [2,0,0,0,0,0|1,1,0]=4 109 B3R0.2 CC([O-])=O AK-98692 [2,0,0,0,0,0|1,1,0]=4 110 B5R0.3 BrCC(=C)CBr AK101659 [1,1,0,0,0,0|1,0,1]=4 111 B5R0.3 C(C(CO)=C)O AK-73078 [1,1,0,0,0,0|0,1,1]=4 112 B5R0.3 C=CC(NC)=O AK115593 [1,1,0,0,0,0|1,0,1]=4 113 B5R0.3 CC(CCl)CBr AK112650 [1,1,0,0,0,0|1,0,1]=4 114 B5R0.3 CCC(CN)=O AK-38468 [1,1,0,0,0,0|1,0,1]=4 115 B5R0.3 CCC(CO)=O AK149491 [1,1,0,0,0,0|1,0,1]=4 116 B5R0.3 CNC(=O)CCl AK-82796 [1,1,0,0,0,0|2,0,0]=4 117 B5R0.3 C[C@@H](OC)CN AK153940 [1,1,0,0,0,0|1,0,1]=4 118 B5R0.3 NCC(OC)=O AK-43994 [1,1,0,0,0,0|2,0,0]=4 119 B5R0.3 O=C(CO)CO AK-46682 [1,1,0,0,0,0|1,1,0]=4 120 B5R0.3 O=C(OC)CO AK-98661 [1,1,0,0,0,0|1,1,0]=4 121 B5R0.4 CC(C)(C)CN AK-64580 [1,1,0,0,0,0|1,0,1]=4 122 B5R0.4 CC(O)(C)CN AK-37803 [1,1,0,0,0,0|1,0,1]=4 123 B5R0.4 CC(O)(C)CO AK112021 [1,1,0,0,0,0|0,1,1]=4 124 B5R0.5 CC(C)C(N)=O AK-80490 [1,1,0,0,0,0|0,1,1]=4 125 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,2,0,0,0,0|0,1,1]=4 126 B7R0.5 CC(C)C(=O)CC#N AK-34559 [0,2,0,0,0,0|1,0,1]=4 127 B7R0.5 CC(C)C(OCCl)=O AK163215 [0,2,0,0,0,0|1,0,1]=4 128 B7R0.10 CCC(N(OC)C)=O AK130253 [0,2,0,0,0,0|2,0,0]=4 129 B7R0.10 CON(C)C(=O)CCl AK-36069 [0,2,0,0,0,0|2,0,0]=4 130 B7R0.10 O=C(OC)[C@H](N)CS AK155885 [0,2,0,0,0,0|1,0,1]=4 131 B7R0.10 OC\C(Br)=C(Br)\CO AK146734 [0,2,0,0,0,0|1,1,0]=4 132 B7R0.10 [C@H](N)(CS)C(OC)=O AK-48929 [0,2,0,0,0,0|1,0,1]=4 133 B7R0.12 CCN(CCS)CC AK308969 [0,2,0,0,0,0|1,0,1]=4 134 B7R0.8 OC\C=C\[Si](C)(C)C AK307454 [0,2,0,0,0,0|0,2,0]=4 135 B5R1.2 O1CC(C1)=O AK-32211 [1,0,0,1,0,0|1,1,0]=4 136 B5R1.2 O=C1CNC1 AK-59488 [1,0,0,1,0,0|2,0,0]=4 137 B5R1.2 O=C1CSC1 AK-41121 [1,0,0,1,0,0|1,0,0]=3 138 B5R1.2 O=C1NCC1 AK-36897 [1,0,0,1,0,0|2,0,0]=4 139 B5R1.3 CNC1CC1 AK-50625 [1,0,0,1,0,0|1,0,1]=4 140 B5R1.1 N1CC=CC1 AK-35945 [1,0,0,1,0,0|1,0,0]=3 141 B5R1.1 S1CNCC1 AK340267 [1,0,0,1,0,0|1,0,1]=4 142 B7R1.1 COC1=CSC=C1 AK-60944 [0,1,0,1,0,0|0,0,2]=4 143 B7R1.1 COC1=NCCC1 AK-49858 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.1 NCC1=CSC=C1 AK-28306 [0,1,0,1,0,0|0,0,2]=4 145 B7R1.1 NCC1=CSC=C1 AK-48092 [0,1,0,1,0,0|0,0,2]=4 146 B7R1.1 OCC1=CSC=C1 AK-36199 [0,1,0,1,0,0|0,0,2]=4 147 B7R1.2 O=C1COC(C)=C1 AK142223 [0,1,0,1,0,0|0,1,1]=4 148 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,1,0,1,0,0|1,1,0]=4 149 B7R1.3 O=C1CCSCC1 AK-25499 [0,1,0,1,0,0|1,0,1]=4 150 B7R1.3 O=C1COCC=C1 AK120133 [0,1,0,1,0,0|1,1,0]=4 151 B7R1.3 O=C1CSCCC1 AK112945 [0,1,0,1,0,0|1,0,1]=4 152 B7R1.3 O=C1NCCSC1 AK-94004 [0,1,0,1,0,0|1,0,1]=4 153 B7R1.4 C1=CC(=C(S1)Br)C AK-46588 [0,1,0,1,0,0|0,0,2]=4 154 B7R1.4 CC1=C(C)N=CS1 AK-46395 [0,1,0,1,0,0|1,0,1]=4 155 B7R1.4 CC1=CC=NN1C AK-36127 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.4 CC1=CNN=C1C AK111434 [0,1,0,1,0,0|2,0,0]=4 157 B7R1.4 CC1=CNN=C1C AK117330 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.4 CC1=CSC=C1Br AK-34597 [0,1,0,1,0,0|0,0,2]=4 159 B7R1.4 CC1=CSC=C1C AK-45919 [0,1,0,1,0,0|0,0,2]=4 160 B7R1.4 CC1CSCC1=O AK104742 [0,1,0,1,0,0|0,0,1]=3 161 B7R1.4 O=C1N(C)SC=C1 AK682465 [0,1,0,1,0,0|1,0,1]=4 162 B7R1.4 S=C1N(C)CCC1 AK308101 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.6 N#CC=C1CNC1 AK682491 [0,1,0,1,0,0|1,0,1]=4 164 B7R1.6 N#CC=C1COC1 AK-96392 [0,1,0,1,0,0|1,0,1]=4 165 B7R1.14 CC1(C)SCCN1 AK-33914 [0,1,0,1,0,0|0,0,2]=4