0 B6R0.1 C#CCC(OC)=O AK-93397 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.1 C(C(NC)=O)C#N AK-35938 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CCCC(NN)=O AK-95909 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 O=C(NCC)CN AK-65785 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 O=C(NN)COC AK110451 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 O=C(OC)C#CBr AK122774 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 O=C(OC)CCBr AK-91613 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 O=C(OC)CCN AK-46776 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 O=C(OC)CCO AK-83355 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 O=C(OC)CNC AK-58375 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.1 O=C(OC)OCC AK397345 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.1 O=C(OC)\C=C\I AK-49986 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.1 O=C(OCC)CO AK-98662 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 C(C(=O)O)NC AK-47434 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CC#CC(O)=O AK-49957 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 CNCC(N)=O AK-90265 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 O=C(N)CSC AK-34209 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 C=CC(NC)=O AK115593 [1,0,0,0,0,0|1,0,0]=2 18 B5R0.3 C=C[C@H](N)CO AK-78923 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.3 CCC(CN)=O AK-38468 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.3 CCC(CO)=O AK149491 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.3 CNC(=O)CCl AK-82796 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.3 NCC(OC)=O AK-43994 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.3 NNC(=O)CO AK-89508 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.3 NNC(OC)=O AK109362 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.3 O=C(CO)CO AK-46682 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.3 O=C(OC)CO AK-98661 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [0,1,0,0,0,0|1,0,2]=4 28 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,1,0,0,0,0|1,0,2]=4 29 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,1,0,0,0,0|1,0,2]=4 30 B7R0.2 O=C(O)CC(OC)=O AK-77136 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.2 O=C(OC)CC(N)=O AK127795 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.3 COC(=O)CNC=O AK111067 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.3 O=C(OC)CCCBr AK-94853 [0,1,0,0,0,0|1,0,2]=4 35 B7R0.3 O=C(OC)CCNC AK-85857 [0,1,0,0,0,0|1,0,2]=4 36 B7R0.5 CC(C)C(=O)CC#N AK-34559 [0,1,0,0,0,0|1,0,2]=4 37 B7R0.5 CC(C)C(OCCl)=O AK163215 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.5 CCOC(=O)C(C)N AK-46063 [0,1,0,0,0,0|1,0,1]=3 39 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [0,1,0,0,0,0|1,0,1]=3 40 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [0,1,0,0,0,0|1,0,1]=3 41 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,1,0,0,0,0|1,0,1]=3 43 B7R0.7 CC#CC(OCC)=O AK-44989 [0,1,0,0,0,0|0,0,2]=3 44 B7R0.7 CCOC(=O)CCBr AK-76993 [0,1,0,0,0,0|1,0,1]=3 45 B7R0.7 CCOC(=O)CCO AK-41251 [0,1,0,0,0,0|1,0,1]=3 46 B7R0.7 O=C(COC)COC AK116819 [0,1,0,0,0,0|1,0,1]=3 47 B7R0.7 O=C(NCC)NCC AK116700 [0,1,0,0,0,0|1,0,1]=3 48 B7R0.7 O=C(OCC)C#CBr AK127753 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.7 O=C(OCC)CCN AK-49791 [0,1,0,0,0,0|1,0,1]=3 50 B7R0.7 O=C(OCC)CNC AK-44190 [0,1,0,0,0,0|1,0,1]=3 51 B7R0.7 O=C(OCC)CNN AK-50556 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.7 O=C(OCC)OCCl AK128867 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.7 O=C(OCC)\C=C\I AK117013 [0,1,0,0,0,0|1,0,0]=2 54 B7R0.10 CCC(N(OC)C)=O AK130253 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.10 CCC(N)C(OC)=O AK115477 [0,1,0,0,0,0|1,0,2]=4 56 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [0,1,0,0,0,0|1,0,2]=4 57 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [0,1,0,0,0,0|1,0,2]=4 58 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [0,1,0,0,0,0|1,0,2]=4 59 B7R0.10 COC(O)C(=O)OC AK-33946 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.10 CON(C)C(=O)CCl AK-36069 [0,1,0,0,0,0|3,0,0]=4 61 B7R1.1 CCC1=CC=CS1 AK-76635 [0,0,0,1,0,0|0,1,1]=3 62 B7R1.1 CCC1=NC=CN1 AK161825 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.1 CCC1=NN=CO1 AK-50871 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.1 CCC1=NNC=N1 AK124531 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.1 CCN1C=CN=C1 AK-47598 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.1 CCN1N=CC=C1 AK-39994 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.1 COC1=CC=CS1 AK-60885 [0,0,0,1,0,0|1,1,1]=4 68 B7R1.1 COC1=CSC=C1 AK-60944 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.1 NCC1=CC=CN1 AK-39872 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.1 NCC1=CC=CS1 AK-46394 [0,0,0,1,0,0|1,1,1]=4 71 B7R1.1 NCC1=CNC=C1 AK-67638 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.1 NCC1=CSC=C1 AK-28306 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.1 NCC1=CSC=C1 AK-48092 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.1 NCC1=NNC=C1 AK-25875 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.1 OCC1=CC=CS1 AK-93468 [0,0,0,1,0,0|1,1,1]=4 76 B7R1.1 OCC1=CC=NO1 AK-68490 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.1 OCC1=COC=C1 AK-46116 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.1 OCC1=CSC=C1 AK-36199 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.1 OCC1=NOC=C1 AK-25087 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.2 BrC1=CSC(=C1)C AK-28080 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.2 C1=C(C)[NH]N=C1C AK-50030 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.2 CC1=CC(Br)=NN1 AK-49142 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.2 CC1=CC(Br)=NO1 AK-34396 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.2 CC1=CC(I)=NN1 AK100667 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.2 CC1=CC(N)=NO1 AK-32792 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.2 CC1=NNC(Br)=C1 AK100666 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.2 CC1=NNC(Cl)=C1 AK-80228 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.2 CC1=NNC(N)=C1 AK111310 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.2 CC1=NOC(N)=C1 AK-33327 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.2 N1=C(SCC1=O)N AK-65159 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.2 NC1=NNC(C)=C1 AK-29128 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.2 O=C1C=C(NN1)N AK-40891 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.2 O=C1CCC(O1)=O AK139125 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.2 O=C1COC(C)=C1 AK142223 [0,0,0,1,0,0|1,0,0]=2 96 B7R1.2 O=C1N=C(N)OC1 AK-80637 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.2 O=C1N=C(N)SC1 AK-65160 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.2 O=C1NC(CC1)=O AK550047 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.2 O=C1NC(CN1)=O AK307300 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.2 O=C1NC(CO1)=O AK-80133 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.2 O=C1NNC(C)=C1 AK-25972 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.2 O=C1NOC(C)=C1 AK158281 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,0,0,1,0,0|1,0,1]=3 104 B7R1.2 O=C1OC(C)CC1 AK117314 [0,0,0,1,0,0|1,0,1]=3 105 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.2 O=C1SCC(N1)=O AK-46286 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.3 C1C(=O)CCNC1 AK-46400 [0,0,0,1,0,0|1,0,2]=4 110 B7R1.3 O=C1C=CC=NN1 AK-29318 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.3 O=C1C=COC=C1 AK110934 [0,0,0,1,0,0|1,0,2]=4 112 B7R1.3 O=C1CCCCO1 AK101117 [0,0,0,1,0,0|1,0,1]=3 113 B7R1.3 O=C1CCCOC1 AK-32516 [0,0,0,1,0,0|1,0,1]=3 114 B7R1.3 O=C1CCOCC1 AK-25731 [0,0,0,1,0,0|1,0,2]=4 115 B7R1.3 O=C1CCSCC1 AK-25499 [0,0,0,1,0,0|1,0,2]=4 116 B7R1.3 O=C1CNCCC1 AK-38925 [0,0,0,1,0,0|1,0,1]=3 117 B7R1.3 O=C1CNCCC1 AK-64363 [0,0,0,1,0,0|1,0,1]=3 118 B7R1.3 O=C1COCC=C1 AK120133 [0,0,0,1,0,0|1,0,0]=2 119 B7R1.3 O=C1COCCN1 AK-37649 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.3 O=C1CSCCC1 AK112945 [0,0,0,1,0,0|1,0,1]=3 121 B7R1.3 O=C1NC=NC=C1 Ak-75843 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.3 O=C1NCCC=C1 AK110027 [0,0,0,1,0,0|1,0,0]=2 123 B7R1.3 O=C1NCCCN1 AK-40132 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.3 O=C1NCCNC1 AK-26132 [0,0,0,1,0,0|2,0,1]=4 125 B7R1.3 O=C1NCCSC1 AK-94004 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.3 O=C1OCCOC1 AK117129 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.4 BrC1=CC=N[N]1C AK-34841 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.4 C1=C(N)[N](C)N=C1 AK-23556 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.4 CC1=CC=NN1C AK-36127 [0,0,0,1,0,0|3,0,0]=4 130 B7R1.4 CC1CSCC1=O AK104742 [0,0,0,1,0,0|1,0,1]=3 131 B7R1.4 IC1=CC=N[N]1C AK-34754 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.4 NC1CONC1=O AK-87856 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.4 N[C@H]1CCOC1=O AK-41531 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.4 O=C1C(CCO1)Br AK-35370 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.4 O=C1C(N)CCS1 AK117085 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.4 O=C1CC=NN1C AK128438 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.4 O=C1N(C)NC=C1 AK113037 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.4 O=C1N(C)SC=C1 AK682465 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.4 O=C1NC=CN1C AK317267 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.4 O=C1NCCN1C AK-78526 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.4 O=C1NCC[C@H]1N AK-43088 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.4 O=C1NCC[C@H]1O AK-39107 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.4 O=C1NOC[C@H]1N AK-26256 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.4 O=C1OCCC1N AK543042 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.4 OC1=CC=N[N]1C AK-39760 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.4 OC1CCNC1=O AK-39164 [0,0,0,1,0,0|2,0,1]=4 150 B4R0.1 C(N)C(=O)C AK-42698 [2,0,0,0,0,0|1,0,0]=3 151 B4R0.1 C=CC([O-])=O AK160082 [2,0,0,0,0,0|1,0,0]=3 152 B4R0.1 CCC(N)=N AK-48186 [2,0,0,0,0,0|2,0,0]=4 153 B4R0.1 NC(=O)CI AK110349 [2,0,0,0,0,0|2,0,0]=4 154 B4R0.1 NCC(N)=O AK-41459 [2,0,0,0,0,0|2,0,0]=4 155 B4R0.1 O=C(N)CBr AK-50036 [2,0,0,0,0,0|2,0,0]=4 156 B4R0.1 O=C(O)CN AK-77854 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.1 O=C([O-])CN AK114167 [2,0,0,0,0,0|2,0,0]=4 158 B4R0.2 C=CCCN AK165308 [2,0,0,0,0,0|1,0,1]=4 159 B6R0.2 CC(=O)NC(N)=N AK-47569 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.2 CC(NC(C)C)=O AK-86542 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [1,1,0,0,0,0|0,0,0]=2 162 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [1,1,0,0,0,0|1,0,0]=3 163 B6R0.3 CC(N(CC)C)=O AK149250 [1,1,0,0,0,0|1,0,1]=4 164 B6R0.3 CCC(=O)C(O)=O AK-48379 [1,1,0,0,0,0|1,0,1]=4 165 B6R0.3 C\C=C(O)\C(O)=O AK149482 [1,1,0,0,0,0|1,0,0]=3 166 B6R0.3 O=C([O-])C(OC)=O AK670985 [1,1,0,0,0,0|2,0,0]=4 167 B6R0.4 CC(CCCCl)=O AK-48368 [1,1,0,0,0,0|0,0,2]=4 168 B6R0.4 CC(OCCBr)=O AK165045 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.6 C\C=C\CCCO AK-46431 [1,1,0,0,0,0|0,0,1]=3 170 B6R0.8 CCS(=O)(OC)=O AK544583 [1,1,0,0,0,0|2,0,0]=4 171 B8R0.2 CC(C(N)C(OC)=O)=O AK100204 [0,2,0,0,0,0|1,0,1]=4 172 B8R0.2 CC(C)C(N(OC)C)=O AK108098 [0,2,0,0,0,0|2,0,0]=4 173 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [0,2,0,0,0,0|0,0,2]=4 174 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [0,2,0,0,0,0|0,0,2]=4 175 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [0,2,0,0,0,0|1,0,1]=4 176 B8R0.5 O=C(OCC)CC(N)=O AK-44357 [0,2,0,0,0,0|1,0,1]=4 177 B8R0.5 O=C(OCC)CC(N)=S AK109338 [0,2,0,0,0,0|1,0,1]=4 178 B8R0.5 O=C([O-])CC(OCC)=O AK-88661 [0,2,0,0,0,0|1,0,1]=4 179 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [0,2,0,0,0,0|0,0,2]=4 180 B8R0.16 O=C\C(OC)=C/N(C)C AK-25392 [0,2,0,0,0,0|2,0,0]=4 181 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [0,2,0,0,0,0|0,0,1]=3 182 B8R0.19 CCC(CC(CC)=O)=O AK-88511 [0,2,0,0,0,0|0,0,1]=3 183 B8R0.19 CNC(C)=CC(=O)OC AK-89549 [0,2,0,0,0,0|1,0,0]=3 184 B8R0.23 CC(C)OC([C@H](C)N)=O AK-40023 [0,2,0,0,0,0|1,0,1]=4 185 B8R0.23 CC(CC(N(C)C)=O)=O AK129044 [0,2,0,0,0,0|1,0,1]=4 186 B8R0.23 C[C@H](N)C(OC(C)C)=O AK136097 [0,2,0,0,0,0|1,0,1]=4 187 B8R0.1 CCOC(=O)CCCI AK102411 [0,2,0,0,0,0|0,0,2]=4 188 B8R0.1 CCOC(=O)CCCN AK-47111 [0,2,0,0,0,0|0,0,2]=4 189 B8R0.1 O=C(OCC)CCCBr AK-41609 [0,2,0,0,0,0|0,0,2]=4 190 B8R0.3 C(OC(C(=NO)Cl)=O)C AK-23903 [0,2,0,0,0,0|2,0,0]=4 191 B8R0.3 C=C(CO)C(OCC)=O AK-45452 [0,2,0,0,0,0|1,0,1]=4 192 B8R0.3 CC(C#N)C(OCC)=O AK-98818 [0,2,0,0,0,0|1,0,1]=4 193 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [0,2,0,0,0,0|0,0,1]=3 194 B8R0.3 CCOC(=O)C(N)CO AK-81620 [0,2,0,0,0,0|1,0,1]=4 195 B8R0.3 CCOC([C@@H](CO)N)=O AK-49218 [0,2,0,0,0,0|1,0,1]=4 196 B8R0.3 CC[C@H](N)C(OCC)=O AK342326 [0,2,0,0,0,0|0,0,2]=4 197 B8R0.3 N[C@@H](CS)C(OCC)=O AK-49182 [0,2,0,0,0,0|1,0,1]=4 198 B8R0.3 O=C(OCC)C(CBr)=O AK-96394 [0,2,0,0,0,0|1,0,1]=4 199 B8R0.3 O=C(OCC)C(NN)=O AK-65253 [0,2,0,0,0,0|2,0,0]=4 200 B8R0.3 [C@H](N)(CO)C(=O)OCC AK-49623 [0,2,0,0,0,0|1,0,1]=4 201 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [0,2,0,0,0,0|0,0,2]=4 202 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [0,2,0,0,0,0|2,0,0]=4 203 B8R0.9 O=C(O)\C=C\C(OC)=O AK114632 [0,2,0,0,0,0|1,0,1]=4 204 B8R0.14 CCOC(=O)C(C)(C)N AK-54013 [0,2,0,0,0,0|1,0,1]=4 205 B6R1.2 C1=C([NH]N=C1)C AK-47298 [1,0,0,1,0,0|2,0,0]=4 206 B6R1.2 CC1=CNC=C1 AK-59534 [1,0,0,1,0,0|2,0,0]=4 207 B6R1.2 O=C1CCNC1 AK-46584 [1,0,0,1,0,0|1,0,1]=4 208 B6R1.2 O=C1CCOC1 AK-27035 [1,0,0,1,0,0|1,0,1]=4 209 B6R1.2 O=C1CSCC1 AK-40135 [1,0,0,1,0,0|1,0,1]=4 210 B6R1.2 O=C1NNC=C1 AK-58738 [1,0,0,1,0,0|2,0,0]=4 211 B6R1.2 O=C1NNCC1 AK-46169 [1,0,0,1,0,0|2,0,0]=4 212 B6R1.2 O=C1NOCC1 AK122832 [1,0,0,1,0,0|2,0,0]=4 213 B6R1.2 O=C1NSC=C1 AK101140 [1,0,0,1,0,0|2,0,0]=4 214 B6R1.2 O=C1OCC=C1 AK163254 [1,0,0,1,0,0|1,0,0]=3 215 B6R1.1 C1CC=CCN1 AK-91689 [1,0,0,1,0,0|1,0,1]=4 216 B8R1.1 CC1=CC(C=O)=NN1 AK-98775 [0,1,0,1,0,0|2,0,0]=4 217 B8R1.1 CC1=CC(CO)=NO1 AK-29211 [0,1,0,1,0,0|1,0,1]=4 218 B8R1.1 CC1=CN=C(CC)N1 AK161824 [0,1,0,1,0,0|1,0,0]=3 219 B8R1.1 CC1=CSC(CC)=N1 AK114234 [0,1,0,1,0,0|1,0,0]=3 220 B8R1.1 CC1=NC(CBr)=CS1 AK174562 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.1 CC1=NC=C(CBr)S1 AK143697 [0,1,0,1,0,0|1,1,0]=4 222 B8R1.1 CC1=NOC(CBr)=C1 AK-86975 [0,1,0,1,0,0|1,0,1]=4 223 B8R1.1 CC1=NOC(CO)=C1 AK105202 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.1 CCC1=CC=C(C)S1 AK103790 [0,1,0,1,0,0|0,1,0]=3 225 B8R1.1 CN1C=C[N+](CC)=C1 AK161828 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.1 C[N+]1=CN(CC)C=C1 AK161830 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.1 C[N+]1=CN(CC)C=C1 AK176161 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.1 NC1=CC(CC)=NN1 AK-31629 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.1 NC1=CC(CC)=NO1 AK-86600 [0,1,0,1,0,0|1,0,1]=4 230 B8R1.1 NC1=NC=C(CC)S1 AK112702 [0,1,0,1,0,0|1,1,0]=4 231 B8R1.1 NC1=NOC(CC)=C1 AK173167 [0,1,0,1,0,0|1,0,1]=4 232 B8R1.1 NCC1=COC(C)=N1 AK668192 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.1 NCC1=NOC(C)=C1 AK153364 [0,1,0,1,0,0|1,0,1]=4 234 B8R1.1 O=C1NC(CO)CC1 AK114000 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.1 O=C1NCC(OC)=C1 AK142161 [0,1,0,1,0,0|1,0,0]=3 236 B8R1.1 O=C1N[C@@H](CBr)CC1 AK-45071 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.1 O=C1N[C@H](CBr)CC1 AK-45147 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.1 O=CC1=CSC(C)=C1 AK138065 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.1 O=CC1=NOC(C)=C1 AK-35881 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.1 OCC1=CC=C(C)O1 AK135169 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.1 OCC1=CN=C(C)O1 AK154941 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.1 OCC1=NC=C(C)S1 AK-48006 [0,1,0,1,0,0|1,1,0]=4 243 B8R1.1 OCC1=NN(C)C=C1 AK139734 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [0,1,0,1,0,0|1,0,1]=4 245 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.4 CC1=CC(C=CN1)=O AK-25534 [0,1,0,1,0,0|0,0,2]=4 247 B8R1.4 CC1=CC(NN=C1)=O AK-39857 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,1,0,1,0,0|1,0,1]=4 249 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,1,0,1,0,0|1,0,1]=4 250 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.4 NC=1CCCC(C1)=O AK-49851 [0,1,0,1,0,0|0,0,0]=2 252 B8R1.4 O=C1C=CC=C(C)N1 AK-29158 [0,1,0,1,0,0|0,0,2]=4 253 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,1,0,1,0,0|0,0,2]=4 254 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,1,0,1,0,0|0,0,1]=3 255 B8R1.4 O=C1CC(COC1)=O AK-32470 [0,1,0,1,0,0|1,0,1]=4 256 B8R1.4 O=C1CSCC(=O)C1 AK-32471 [0,1,0,1,0,0|1,0,1]=4 257 B8R1.4 O=C1CSCC(O1)=O AK307186 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.4 O=C1NC(=O)CNC1 AK-26011 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.4 O=C1NC(C)=NC=C1 AK-46845 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.4 O=C1NC=NC(C)=C1 AK-23779 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,1,0,1,0,0|1,0,1]=4 263 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.4 O=C1[CH-]C(COC1)=O AK-42250 [0,1,0,1,0,0|1,0,1]=4 267 B8R1.18 CC1=C(OC(O1)=O)C AK-49114 [0,1,0,1,0,0|1,0,1]=4 268 B8R1.18 CC1=CC(Br)=NN1C AK142229 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.18 CC1=CC(C)=NN1C AK-32793 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.18 CN1C(=O)CC(=N1)C AK-72987 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.18 CN1N=C(C)C=C1N AK-44339 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.18 C[N]1C(=CC(=N1)C)O AK-39754 [0,1,0,1,0,0|1,0,1]=4 273 B8R1.18 NC1=NN(C)C(C)=C1 AK-81604 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [0,1,0,1,0,0|1,0,0]=3 275 B8R1.18 O=C1CN(C)C(N1)=N AK113718 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.18 O=C1N(C)SC(Cl)=C1 AK128362 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.18 O=C1N[C@@H](C)C(O1)=O AK109319 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.18 O=C1OC(O)C(C)=C1 AK-59834 [0,1,0,1,0,0|1,0,0]=3 279 B8R1.51 CC1(C)CCC(=O)N1 AK-90081 [0,1,0,1,0,0|1,0,1]=4 280 B8R1.51 O=C1OC(C)(C)CC1 AK-44637 [0,1,0,1,0,0|1,0,1]=4 281 B8R1.3 CC1=CNC(C=N1)=O AK-28246 [0,1,0,1,0,0|1,0,1]=4 282 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,1,0,1,0,0|0,0,2]=4 283 B8R1.3 O=C1C=CC(C)=NN1 AK-33134 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [0,1,0,1,0,0|1,0,1]=4 285 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [0,1,0,1,0,0|1,0,0]=3 286 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,1,0,1,0,0|0,0,2]=4 287 B8R1.3 O=C1COC(O)C=C1 AK-82130 [0,1,0,1,0,0|1,0,0]=3 288 B8R1.3 O=C1NCC(N)CC1 AK132996 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,1,0,1,0,0|1,0,1]=4 292 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,1,0,1,0,0|0,0,2]=4 293 B8R1.5 CC1=CC=CNC1=O AK-32442 [0,1,0,1,0,0|0,0,2]=4 294 B8R1.5 CN1C=CC=CC1=O AK-48448 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.5 FC1CCCCC1=O AK-79364 [0,1,0,1,0,0|0,0,2]=4 296 B8R1.5 NC1CCCCC1=O AK110393 [0,1,0,1,0,0|0,0,2]=4 297 B8R1.5 NC1CCCNC1=O AK-32522 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.5 O=C1C(C)=NC=CN1 AK-24748 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.5 O=C1C(C)CNCC1 AK-35717 [0,1,0,1,0,0|0,0,2]=4 300 B8R1.5 O=C1C(C)CNCC1 AK-44679 [0,1,0,1,0,0|0,0,2]=4 301 B8R1.5 O=C1C(CCCC1)=O AK-46655 [0,1,0,1,0,0|0,0,1]=3 302 B8R1.5 O=C1N(N)CCCC1 AK132922 [0,1,0,1,0,0|1,0,1]=4 303 B8R1.5 O=C1NCCCC1N AK-58866 [0,1,0,1,0,0|1,0,1]=4 304 B8R1.5 O=C1NCCCC1O AK-25552 [0,1,0,1,0,0|1,0,1]=4 305 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [0,1,0,1,0,0|1,0,1]=4 307 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,1,0,1,0,0|0,0,2]=4 308 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,1,0,1,0,0|0,0,0]=2 309 B8R1.22 O=C1CNCCCN1 AK-94980 [0,1,0,1,0,0|1,0,1]=4 310 B8R1.22 O=C1NCCNCC1 AK-25582 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.22 O=C1NCCOCC1 AK158455 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.22 O=C1OCCCCC1 AK164169 [0,1,0,1,0,0|0,0,2]=4 313 B8R1.50 CC1=NC=C(Br)N1C AK-39971 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.50 CC1C(CCC1=O)=O AK-50538 [0,1,0,1,0,0|1,0,1]=4 315 B8R1.50 CC=1CCC(C1O)=O AK103328 [0,1,0,1,0,0|0,0,0]=2 316 B8R1.50 O=C1CCC(N1I)=O AK-76663 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.50 O=C1CCC(N1O)=O AK-94009 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.7 CC(C1=CC=CO1)C AK120816 [0,1,0,1,0,0|0,0,2]=4 319 B8R1.7 C[C@H](N)C1=CC=CO1 AK544263 [0,1,0,1,0,0|0,0,2]=4 320 B8R1.7 C[C@H](N)C1=CC=CS1 AK486945 [0,1,0,1,0,0|0,1,1]=4 321 B8R1.8 CNCC1=CC=CS1 AK-16718 [0,1,0,1,0,0|0,1,1]=4 322 B8R1.8 CNCC1=CSC=C1 AK-49561 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.8 NCCC1=CC=CS1 AK-44822 [0,1,0,1,0,0|0,1,1]=4 324 B8R1.8 NCCC1=CSC=C1 AK-28310 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.8 NCCC1=CSC=C1 AK-49962 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.8 OCCC1=CC=CS1 AK-43981 [0,1,0,1,0,0|0,1,1]=4 327 B8R1.8 OCCC1=CSC=C1 AK-68259 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.11 CCN1N=CC=C1N AK-57067 [0,1,0,1,0,0|2,0,0]=4 329 B8R1.11 C[N]1C(=CC=N1)C=O AK-34470 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.11 O=C1C(CC)CCC1 AK112291 [0,1,0,1,0,0|0,0,2]=4 331 B8R1.11 O=C1C(CO)CCC1 AK146211 [0,1,0,1,0,0|0,0,2]=4 332 B8R1.11 O=C1N(CC)CCC1 AK106210 [0,1,0,1,0,0|0,0,2]=4