0 B8R1.3 C1C(CCC(C1)O)N AK-39542 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.3 CN1CCC(CC1)Cl AK-49095 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.3 CN1CCC(N)CC1 AK-22084 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.3 C[C@@H]1CO[C@@H](C)CN1 AK554540 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AK144819 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AK144820 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.3 NC1CCC(Br)CC1 AK-48715 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.3 N[C@H]1CC[C@@H](C)CC1 AK139194 [0,0,0,0,0,0|1,0,1]=2 9 B8R1.3 N[C@H]1CC[C@@H](CC1)O AK-26050 [0,0,0,0,0,0|1,0,2]=3 10 B8R1.3 N[C@H]1CC[C@H](C)CC1 AK114539 [0,0,0,0,0,0|1,0,1]=2 11 B8R1.3 N[C@H]1CC[C@H](N)CC1 AK-44479 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [0,0,0,0,0,0|1,0,1]=2 13 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,0,0,0,0,0|1,0,0]=1 15 B8R1.3 O=C1COC(O)C=C1 AK-82130 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.3 O=C1NCC(N)CC1 AK132996 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,0,0,0,0,0|1,0,0]=1 21 B8R1.3 OC1CCC(O)CC1 AK114734 [0,0,0,0,0,0|1,0,2]=3 22 B8R1.3 OC1CCN(C)CC1 AK-32773 [0,0,0,0,0,0|1,0,2]=3 23 B8R1.3 OC1CCN(N)CC1 AK116503 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.3 O[C@H]1CC[C@@H](N)CC1 AK-48343 [0,0,0,0,0,0|1,0,2]=3 25 B8R1.3 O[C@H]1CC[C@H](N)CC1 AK-39826 [0,0,0,0,0,0|1,0,2]=3 26 B8R1.3 O[C@H]1CC[C@H](O)CC1 AK115903 [0,0,0,0,0,0|1,0,2]=3 27 B7R1.3 BrC1CCCCC1 AK-77686 [1,0,0,0,0,0|1,0,1]=3 28 B7R1.3 BrC1CCNCC1 AK-47522 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.3 BrC1CCOCC1 AK-29943 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.3 C1C(=O)CCNC1 AK-46400 [1,0,0,0,0,0|1,0,0]=2 31 B7R1.3 C1C(CCOC1)N AK-25779 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.3 C1CC(CCO1)O AK-25581 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.3 CC1CNCCO1 AK100672 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.3 CC1NCCOC1 AK-35119 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.3 C[C@@H]1CNCCC1 AK141528 [1,0,0,0,0,0|1,0,1]=3 36 B7R1.3 C[C@@H]1CNCCO1 AK-59893 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.3 C[C@H]1CNCCC1 AK-93998 [1,0,0,0,0,0|1,0,1]=3 40 B7R1.3 C[C@H]1CNCCO1 AK-42092 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.3 C[C@H]1NCCNC1 AK-32235 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.3 C[C@H]1NCCOC1 AK-39747 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.3 C[C@H]1NCCOC1 AK-50489 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.3 ClC1CCNCC1 AK-26089 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.3 IC1CCOCC1 AK-29944 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 N1[C@H](CNCC1)C AK-46798 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.3 NC1=NCCCN1 AK128358 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.3 NC1CCSCC1 AK-77885 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.3 NC1CNCCC1 AK-33202 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.3 NN1CCCCC1 AK109255 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [1,0,0,0,0,0|2,0,1]=4 52 B7R1.3 N[C@@H]1COCCC1 AK-77753 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.3 N[C@H]1CCCNC1 AK-34730 [1,0,0,0,0,0|2,0,1]=4 54 B7R1.3 N[C@H]1CNCCC1 AK-33065 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.3 N[C@H]1CNCCC1 AK-34731 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.3 N[C@H]1COCCC1 AK-77571 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.3 O1CCCC(C1)O AK-32117 [1,0,0,0,0,0|1,0,2]=4 58 B7R1.3 O=C1CCCCO1 AK101117 [1,0,0,0,0,0|1,0,0]=2 59 B7R1.3 O=C1CCCOC1 AK-32516 [1,0,0,0,0,0|1,0,0]=2 60 B7R1.3 O=C1CCOCC1 AK-25731 [1,0,0,0,0,0|1,0,0]=2 61 B7R1.3 O=C1CCSCC1 AK-25499 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.3 O=C1CNCCC1 AK-38925 [1,0,0,0,0,0|1,0,0]=2 63 B7R1.3 O=C1CNCCC1 AK-64363 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.3 O=C1COCC=C1 AK120133 [1,0,0,0,0,0|1,0,2]=4 65 B7R1.3 O=C1COCCN1 AK-37649 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.3 O=C1CSCCC1 AK112945 [1,0,0,0,0,0|1,0,0]=2 67 B7R1.3 O=C1NCCC=C1 AK110027 [1,0,0,0,0,0|1,0,2]=4 68 B7R1.3 O=C1NCCCN1 AK-40132 [1,0,0,0,0,0|2,0,0]=3 69 B7R1.3 O=C1NCCNC1 AK-26132 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.3 O=C1NCCSC1 AK-94004 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.3 O=C1OCCOC1 AK117129 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.3 O=S1OCCCO1 AK307879 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.3 OC1CCNCC1 AK-46522 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.3 OC1CCNCC1 AK-80456 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [1,0,0,0,0,0|1,0,2]=4 76 B7R1.3 O[C@H]1CCCNC1 AK-29273 [1,0,0,0,0,0|1,0,2]=4 77 B9R1.1 C(N1CCC(O)CC1)C AK-25832 [0,1,0,0,0,0|1,0,2]=4 78 B9R1.1 C(O)C1CCN(C)CC1 AK-10165 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.1 C1(CCC(=O)CC1)CC AK-47285 [0,1,0,0,0,0|0,0,0]=1 80 B9R1.1 CN1CCC(C#C)CC1 AK677470 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.1 CNC1CCN(C)CC1 AK-22168 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.1 COC1CCC(N)CC1 AK-77237 [0,1,0,0,0,0|1,0,1]=3 83 B9R1.1 N#CC1CCC(CC1)=O AK-46872 [0,1,0,0,0,0|0,0,1]=2 84 B9R1.1 N#CC1CCC(N)CC1 AK164809 [0,1,0,0,0,0|1,0,2]=4 85 B9R1.1 O=C1CCC(CO)CC1 AK114473 [0,1,0,0,0,0|0,0,0]=1 86 B9R1.1 O=C1CCC(NC)CC1 AK-43402 [0,1,0,0,0,0|0,0,0]=1 87 B9R1.1 O=C1CCC(OC)CC1 AK-58310 [0,1,0,0,0,0|0,0,0]=1 88 B9R1.1 O=C1NCC(CO)CC1 AK-88773 [0,1,0,0,0,0|1,0,0]=2 89 B9R1.1 O=CC1CCC(CC1)=O AK-46502 [0,1,0,0,0,0|0,0,1]=2 90 B9R1.1 OC1CCC(CC1)C#N AK-37993 [0,1,0,0,0,0|0,0,3]=4 91 B9R1.1 OC1CCC(NC)CC1 AK141349 [0,1,0,0,0,0|0,0,2]=3 92 B9R1.1 OC1CCC(OC)CC1 AK-93462 [0,1,0,0,0,0|0,0,2]=3 93 B9R1.1 O[C@H]1CC[C@@H](NC)CC1 AK145421 [0,1,0,0,0,0|0,0,2]=3 94 B9R1.1 O[C@H]1CC[C@H](NC)CC1 AK-89578 [0,1,0,0,0,0|0,0,2]=3 95 B9R1.1 O[C@H]1CC[C@H](NC)CC1 AK543100 [0,1,0,0,0,0|0,0,2]=3 96 B9R1.10 C1(CCC(CC1)=O)(C)C AK-32039 [0,1,0,0,0,0|0,0,0]=1 97 B9R1.10 CC1(CCC(O)CC1)C AK-32038 [0,1,0,0,0,0|0,0,2]=3 98 B9R1.10 FC1(CCC(CC1)=O)F AK-39536 [0,1,0,0,0,0|1,0,0]=2 99 B9R1.10 FC1(CCC(CC1)O)F AK-34199 [0,1,0,0,0,0|1,0,2]=4 100 B9R1.10 NC1CCC(F)(F)CC1 AK-76520 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.10 NC1CCS(CC1)(=O)=O AK-79011 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.10 NC1CC[S](CC1)(=O)=O AK-49076 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.10 O=C1C=CC(C)(C)CC1 AK-49233 [0,1,0,0,0,0|0,0,2]=3 104 B9R1.10 O=C1COC(C)(C)OC1 AK-36260 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.10 O=C1NCC(C)(O)CC1 AK151491 [0,1,0,0,0,0|1,0,0]=2 106 B9R1.10 O=[S]1(CCC(CC1)=O)=O AK-33694 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.10 OC1CCS(=O)(=O)CC1 AK-77776 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.69 C1C(N)C(=O)NC(=O)C1 AK-46561 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.69 CC1CCC(=O)NC1=O AK-80663 [0,1,0,0,0,0|1,0,1]=3 110 B9R1.69 O=C1C(C)CN(C)CC1 AK-31130 [0,1,0,0,0,0|1,0,0]=2 111 B9R1.69 O=C1CC(C(CN1)C)=O AK-24495 [0,1,0,0,0,0|1,0,1]=3 112 B9R1.69 O=C1N(C)C[C@@H](C)NC1 AK188522 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.69 O=C1N(C)C[C@H](C)NC1 AK188521 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.3 CCCCC(NN)=O AK114657 [0,0,1,0,0,0|2,0,0]=3 115 B7R0.3 CCCCC(O)CO AK161793 [0,0,1,0,0,0|1,0,2]=4 116 B7R0.3 O=C(OC)CCCBr AK-94853 [0,0,1,0,0,0|2,0,0]=3 117 B7R0.3 O=C(OC)CCNC AK-85857 [0,0,1,0,0,0|2,0,0]=3 118 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [0,0,1,0,0,0|2,0,1]=4 119 B7R0.6 CC(NNC(C)C)=O AK118752 [0,0,1,0,0,0|2,0,0]=3 120 B7R0.6 C[S+](CCC(O)=O)C AK114711 [0,0,1,0,0,0|2,0,0]=3 121 B7R0.6 O=C(O)CCN(C)C AK-33348 [0,0,1,0,0,0|2,0,0]=3 122 B9R2.49 C1CN2CCN1CC2 AK-94871 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.2 CN1CCC(Br)C1 AK-43626 [0,0,0,0,1,0|2,0,1]=4 124 B7R1.2 CN1C[C@H](O)CC1 AK-44894 [0,0,0,0,1,0|1,0,2]=4 125 B7R1.2 FC1COC(=O)O1 AK111108 [0,0,0,0,1,0|3,0,0]=4 126 B7R1.2 N[C@@H]1CC[C@H](O)C1 AK105087 [0,0,0,0,1,0|1,0,2]=4 127 B7R1.2 N[C@@H]1CN(C)CC1 AK149723 [0,0,0,0,1,0|2,0,1]=4 128 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [0,0,0,0,1,0|2,0,0]=3 129 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [0,0,0,0,1,0|2,0,0]=3 130 B7R1.2 N[C@H]1C[C@H](N)CC1 AK146331 [0,0,0,0,1,0|2,0,1]=4 131 B7R1.2 N[C@H]1C[C@H](O)CC1 AK-65339 [0,0,0,0,1,0|1,0,2]=4 132 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,0,0,0,1,0|2,0,1]=4 133 B7R1.2 O=C1CCC(O1)=O AK139125 [0,0,0,0,1,0|2,0,1]=4 134 B7R1.2 O=C1COC(C)=C1 AK142223 [0,0,0,0,1,0|1,0,2]=4 135 B7R1.2 O=C1NC(CC1)=O AK550047 [0,0,0,0,1,0|2,0,1]=4 136 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,0,0,0,1,0|2,0,0]=3 137 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [0,0,0,0,1,0|2,0,0]=3 138 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,0,0,0,1,0|2,0,0]=3 139 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,0,0,0,1,0|1,0,2]=4 140 B7R1.2 O=C1OC(C)CC1 AK117314 [0,0,0,0,1,0|1,0,0]=2 141 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,0,0,0,1,0|2,0,0]=3 142 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,0,0,0,1,0|2,0,0]=3 143 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,0,0,0,1,0|2,0,0]=3 144 B7R1.2 OC1CC(N)CC1 AK-64395 [0,0,0,0,1,0|1,0,2]=4 145 B7R1.2 OC1CN(C)CC1 AK-29830 [0,0,0,0,1,0|1,0,2]=4 146 B7R1.2 O[C@@H]1CN(C)CC1 AK-44893 [0,0,0,0,1,0|1,0,2]=4 147 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,0,0,0,1,0|2,0,0]=3 148 B7R1.2 O[C@@H]1C[C@@H](N)CC1 AK122534 [0,0,0,0,1,0|1,0,2]=4 149 B9R1.49 CN1CCCC(CC1)O AK-39765 [0,0,0,0,0,1|1,0,2]=4 150 B9R1.49 O=C1NCC(N)CCC1 AK129608 [0,0,0,0,0,1|2,0,0]=3 151 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [0,0,0,0,0,1|1,0,0]=2 152 B6R0.1 CCCC(NN)=O AK-95909 [1,0,1,0,0,0|2,0,0]=4 153 B6R0.1 O=C(NCC)CN AK-65785 [1,0,1,0,0,0|2,0,0]=4 154 B6R0.1 O=C(OC)CCBr AK-91613 [1,0,1,0,0,0|2,0,0]=4 155 B6R0.1 O=C(OC)CCN AK-46776 [1,0,1,0,0,0|2,0,0]=4 156 B6R0.1 O=C(OC)CCO AK-83355 [1,0,1,0,0,0|2,0,0]=4 157 B6R0.1 O=C(OC)CNC AK-58375 [1,0,1,0,0,0|2,0,0]=4 158 B6R0.1 O=C(OC)OCC AK397345 [1,0,1,0,0,0|2,0,0]=4 159 B6R0.1 O=C(OCC)CO AK-98662 [1,0,1,0,0,0|2,0,0]=4 160 B6R0.4 CC(CCCCl)=O AK-48368 [1,0,1,0,0,0|1,0,0]=3 161 B6R0.4 CC(OCCBr)=O AK165045 [1,0,1,0,0,0|2,0,0]=4 162 B6R0.4 CCCCC([O-])=O AK163205 [1,0,1,0,0,0|1,0,0]=3 163 B6R0.4 CN(CCNC)C AK-64867 [1,0,1,0,0,0|2,0,0]=4 164 B6R0.4 NC(OCCC)=O AK116320 [1,0,1,0,0,0|2,0,0]=4 165 B6R0.4 O=C(O)CCCCl AK113749 [1,0,1,0,0,0|2,0,0]=4 166 B6R0.4 O=C(O)CCCN AK-43987 [1,0,1,0,0,0|2,0,0]=4 167 B6R0.4 O=C(O)CCNC AK155866 [1,0,1,0,0,0|2,0,0]=4 168 B6R0.4 O=C(O)CCOC AK-88477 [1,0,1,0,0,0|2,0,0]=4 169 B6R0.6 C=CCCCCBr AK-48086 [1,0,1,0,0,0|2,0,0]=4 170 B6R0.6 C\C=C\CCCO AK-46431 [1,0,1,0,0,0|1,0,1]=4 171 B6R0.6 ClCCCCC=O AK110863 [1,0,1,0,0,0|1,0,0]=3 172 B6R0.6 O=CCCCCO AK-40206 [1,0,1,0,0,0|1,0,0]=3 173 B6R1.1 C1CC=CCN1 AK-91689 [2,0,0,0,0,0|1,0,1]=4 174 B6R1.1 C1CCNNC1 AK-81490 [2,0,0,0,0,0|2,0,0]=4 175 B6R1.1 C1CSCCN1 AK110355 [2,0,0,0,0,0|2,0,0]=4 176 B6R1.1 N1CCOCC1 AK116221 [2,0,0,0,0,0|2,0,0]=4 177 B6R1.1 O1CNCCC1 AK-82623 [2,0,0,0,0,0|2,0,0]=4 178 B6R1.1 O1NCCCC1 AK156568 [2,0,0,0,0,0|2,0,0]=4 179 B6R1.1 [NH2+]1CCCCC1 AK-41004 [2,0,0,0,0,0|1,0,0]=3 180 B6R1.1 [NH2+]1CCCCC1 AK-97257 [2,0,0,0,0,0|1,0,0]=3 181 B8R0.1 C#CCCC(CCO)=O AK544192 [0,1,1,0,0,0|0,0,2]=4 182 B8R0.1 CCOC(=O)CCCI AK102411 [0,1,1,0,0,0|1,0,0]=3 183 B8R0.1 CCOC(=O)CCCN AK-47111 [0,1,1,0,0,0|1,0,0]=3 184 B8R0.1 O=C(OCC)CCCBr AK-41609 [0,1,1,0,0,0|1,0,0]=3 185 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [0,1,1,0,0,0|1,0,1]=4 186 B8R0.3 O=C(OC)[C@H](N)COC AK174036 [0,1,1,0,0,0|2,0,0]=4 187 B8R0.3 O=CC[C@@H]([C@@H](CO)O)O AK-25106 [0,1,1,0,0,0|2,0,0]=4 188 B8R0.6 C(Cl)C(=O)NCCCC AK-59895 [0,1,1,0,0,0|1,0,0]=3 189 B8R0.6 C=CC(CCCCC)=O AK164478 [0,1,1,0,0,0|0,0,2]=4 190 B8R0.6 O=C(OC)CCCCBr AK-88540 [0,1,1,0,0,0|1,0,0]=3 191 B8R0.6 O=C(OC)CCCCN AK112995 [0,1,1,0,0,0|1,0,0]=3 192 B8R0.6 O=C(OC)CCCOC AK151485 [0,1,1,0,0,0|1,0,0]=3 193 B8R0.6 O=C(OC)COCCCl AK-44958 [0,1,1,0,0,0|2,0,0]=4 194 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [0,1,1,0,0,0|0,0,0]=2 195 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [0,1,1,0,0,0|0,0,2]=4 196 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [0,1,1,0,0,0|1,0,1]=4 197 B8R0.19 CCC(CC(CC)=O)=O AK-88511 [0,1,1,0,0,0|0,0,1]=3 198 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [0,1,1,0,0,0|1,0,0]=3 199 B8R0.23 C(C(C(O)=O)N)C(C)C AK-47516 [0,1,1,0,0,0|1,0,0]=3 200 B8R0.23 CC(C)C(N)CC(O)=O AK124272 [0,1,1,0,0,0|1,0,0]=3 201 B8R0.23 CC(C)C[C@@H](O)C(O)=O AK-90931 [0,1,1,0,0,0|1,0,0]=3 202 B8R0.23 CC(C)C[C@H](Br)C(O)=O AK549141 [0,1,1,0,0,0|1,0,0]=3 203 B8R0.23 CC(C)C[C@H](N)C(O)=O AK-81271 [0,1,1,0,0,0|1,0,0]=3 204 B8R0.23 CC(C)C[C@H](O)C(O)=O AK-58745 [0,1,1,0,0,0|1,0,0]=3 205 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK-86154 [0,1,1,0,0,0|1,0,0]=3 206 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK162605 [0,1,1,0,0,0|1,0,0]=3 207 B8R0.23 CC(C)[C@H](N)CC(O)=O AK-45075 [0,1,1,0,0,0|1,0,0]=3 208 B8R0.23 CC(C)[C@H](N)CC(O)=O AK115403 [0,1,1,0,0,0|1,0,0]=3 209 B8R0.23 CC(CC(N(C)C)=O)=O AK129044 [0,1,1,0,0,0|1,0,1]=4 210 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O AK-23909 [0,1,1,0,0,0|2,0,0]=4 211 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK-81270 [0,1,1,0,0,0|1,0,0]=3 212 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK325911 [0,1,1,0,0,0|1,0,0]=3 213 B8R0.23 N[C@H](CC(C)C)C(O)=O AK-49689 [0,1,1,0,0,0|1,0,0]=3 214 B8R0.29 CC(C)(C)OCC(O)=O AK-57788 [0,1,1,0,0,0|2,0,0]=4 215 B8R0.29 O=C(O)CNC(C)(C)C AK-75739 [0,1,1,0,0,0|2,0,0]=4 216 B8R1.2 BrCC1CCCCC1 AK-34379 [1,1,0,0,0,0|0,0,1]=3 217 B8R1.2 BrCC1CCOCC1 AK-33044 [1,1,0,0,0,0|1,0,0]=3 218 B8R1.2 C(C1CCOCC1)O AK-25438 [1,1,0,0,0,0|1,0,0]=3 219 B8R1.2 C1C(CCOC1)C#N AK-35140 [1,1,0,0,0,0|1,0,1]=4 220 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [1,1,0,0,0,0|1,0,1]=4 221 B8R1.2 CNC1CCCNC1 AK-39351 [1,1,0,0,0,0|1,0,1]=4 222 B8R1.2 CNC1CCNCC1 AK-81357 [1,1,0,0,0,0|1,0,0]=3 223 B8R1.2 CNC1CCOCC1 AK-29001 [1,1,0,0,0,0|1,0,0]=3 224 B8R1.2 COC1CCNCC1 AK-86244 [1,1,0,0,0,0|1,0,0]=3 225 B8R1.2 ClCC1NCCCC1 AK-78057 [1,1,0,0,0,0|1,0,1]=4 226 B8R1.2 ICC1CCCCC1 AK126313 [1,1,0,0,0,0|0,0,1]=3 227 B8R1.2 ICC1CCOCC1 AK-51037 [1,1,0,0,0,0|1,0,0]=3 228 B8R1.2 N#CC1CCCCC1 AK117259 [1,1,0,0,0,0|0,0,2]=4 229 B8R1.2 N#CC1CCNCC1 AK-76369 [1,1,0,0,0,0|1,0,1]=4 230 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [1,1,0,0,0,0|1,0,1]=4 231 B8R1.2 NCC1CCOCC1 AK-33095 [1,1,0,0,0,0|1,0,0]=3 232 B8R1.2 NNC1CCCCC1 AK-51695 [1,1,0,0,0,0|1,0,1]=4 233 B8R1.2 NNC1CCOCC1 AK-40761 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.2 O=CN1CCOCC1 AK-47431 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.2 OCC1CCC=CC1 AK-63968 [1,1,0,0,0,0|0,0,1]=3 236 B8R1.2 OCC1CCCCC1 AK-47687 [1,1,0,0,0,0|0,0,1]=3 237 B8R1.2 OCC1CNCCC1 AK-26981 [1,1,0,0,0,0|1,0,1]=4 238 B8R1.2 OCC1NCCCC1 AK-47618 [1,1,0,0,0,0|1,0,1]=4 239 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [1,1,0,0,0,0|1,0,1]=4 240 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [1,1,0,0,0,0|1,0,1]=4 241 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [1,1,0,0,0,0|1,0,1]=4 242 B8R1.2 ONC1CCCCC1 AK113259 [1,1,0,0,0,0|0,0,2]=4 243 B8R1.2 ONC1CCCCC1 AK118974 [1,1,0,0,0,0|0,0,2]=4 244 B8R1.4 CN1CCOC(=O)C1 AK-33826 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.4 C[C@@H]1CN(C)CCN1 AK158560 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.4 C[C@H]1CN(C)CCN1 AK106695 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.4 N1CCC(CC1=O)=O AK-23571 [1,1,0,0,0,0|1,0,1]=4 248 B8R1.4 NC1CCCC(C1)O AK-36106 [1,1,0,0,0,0|0,0,2]=4 249 B8R1.4 NC1CCNC(C1)=O AK-26117 [1,1,0,0,0,0|1,0,0]=3 250 B8R1.4 NC1CN(C)CCC1 AK-76844 [1,1,0,0,0,0|1,0,1]=4 251 B8R1.4 NC=1CCCC(C1)=O AK-49851 [1,1,0,0,0,0|0,0,2]=4 252 B8R1.4 N[C@@H]1CN(C)CCC1 AK159101 [1,1,0,0,0,0|1,0,1]=4 253 B8R1.4 N[C@H]1CN(C)CCC1 AK153472 [1,1,0,0,0,0|1,0,1]=4 254 B8R1.4 N[C@H]1C[C@@H](N)CCC1 AK124383 [1,1,0,0,0,0|1,0,1]=4 255 B8R1.4 O=C1CC(C)NCC1 AK-45778 [1,1,0,0,0,0|1,0,0]=3 256 B8R1.4 O=C1CC(CCC1)=O AK-44688 [1,1,0,0,0,0|0,0,1]=3 257 B8R1.4 O=C1CC(COC1)=O AK-32470 [1,1,0,0,0,0|1,0,1]=4 258 B8R1.4 O=C1CSCC(=O)C1 AK-32471 [1,1,0,0,0,0|1,0,1]=4 259 B8R1.4 O=C1NCCC(O)C1 AK-27778 [1,1,0,0,0,0|1,0,0]=3 260 B8R1.4 O=C1NCCN(C)C1 AK-77137 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [1,1,0,0,0,0|1,0,0]=3 262 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [1,1,0,0,0,0|1,0,1]=4 265 B8R1.5 BrC1CCCCC1Br AK110889 [1,1,0,0,0,0|1,0,1]=4 266 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [1,1,0,0,0,0|0,0,2]=4 267 B8R1.5 CC1CNCCC1O AK-34735 [1,1,0,0,0,0|1,0,1]=4 268 B8R1.5 CC1CNCCC1O AK-77366 [1,1,0,0,0,0|1,0,1]=4 269 B8R1.5 CC1N(C)CCNC1 AK-27680 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.5 FC1CCCCC1=O AK-79364 [1,1,0,0,0,0|0,0,0]=2 271 B8R1.5 NC1C(F)COCC1 AK-68595 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.5 NC1CCCCC1=O AK110393 [1,1,0,0,0,0|0,0,0]=2 273 B8R1.5 NC1CCCNC1=O AK-32522 [1,1,0,0,0,0|1,0,0]=3 274 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [1,1,0,0,0,0|0,0,2]=4 275 B8R1.5 N[C@@H]1[C@@H](N)CCCC1 AK-51492 [1,1,0,0,0,0|1,0,1]=4 276 B8R1.5 N[C@@H]1[C@H](C)CCCC1 AK167720 [1,1,0,0,0,0|0,0,1]=3 277 B8R1.5 N[C@H]1CCCC[C@H]1N AK110121 [1,1,0,0,0,0|1,0,1]=4 278 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [1,1,0,0,0,0|0,0,2]=4 279 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [1,1,0,0,0,0|0,0,2]=4 280 B8R1.5 N[C@H]1[C@H](N)CCCC1 AK-49548 [1,1,0,0,0,0|1,0,1]=4 281 B8R1.5 O=C1C(C)CNCC1 AK-35717 [1,1,0,0,0,0|1,0,0]=3 282 B8R1.5 O=C1C(C)CNCC1 AK-44679 [1,1,0,0,0,0|1,0,0]=3 283 B8R1.5 O=C1C(CCCC1)=O AK-46655 [1,1,0,0,0,0|0,0,1]=3 284 B8R1.5 O=C1N(C)CCNC1 AK-38983 [1,1,0,0,0,0|2,0,0]=4 285 B8R1.5 O=C1N(N)CCCC1 AK132922 [1,1,0,0,0,0|1,0,0]=3 286 B8R1.5 O=C1NCCCC1N AK-58866 [1,1,0,0,0,0|1,0,0]=3 287 B8R1.5 O=C1NCCCC1O AK-25552 [1,1,0,0,0,0|1,0,0]=3 288 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [1,1,0,0,0,0|1,0,0]=3 289 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [1,1,0,0,0,0|2,0,0]=4 290 B8R1.5 OC1C(N)CCCC1 AK116055 [1,1,0,0,0,0|0,0,2]=4 291 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [1,1,0,0,0,0|0,0,2]=4 292 B8R1.5 O[C@H]1COCC[C@@H]1N AK172298 [1,1,0,0,0,0|2,0,0]=4 293 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [1,1,0,0,0,0|0,0,2]=4 294 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [1,1,0,0,0,0|0,0,2]=4 295 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [1,1,0,0,0,0|0,0,2]=4 296 B8R1.72 CC1(C)CCNCC1 AK116331 [1,1,0,0,0,0|1,0,0]=3 297 B8R1.72 CC1(CCOCC1)O AK-31507 [1,1,0,0,0,0|1,0,0]=3 298 B8R1.72 C[N+]1(C)CCCCC1 AK163545 [1,1,0,0,0,0|1,0,1]=4 299 B8R1.72 C[Si]1(C)CCNCC1 AK173609 [1,1,0,0,0,0|1,1,0]=4 300 B8R1.72 NC1(C)CCOCC1 AK-31509 [1,1,0,0,0,0|1,0,0]=3 301 B8R1.72 O=S1(CCCCO1)=O AK-49451 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.72 O=S1(CCNCC1)=O AK-26927 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.72 O=S1(CCNCC1)=O AK-34978 [1,1,0,0,0,0|2,0,0]=4 304 B8R1.72 OC1(C)CCCCC1 AK161821 [1,1,0,0,0,0|0,0,1]=3 305 B8R1.72 OC1(C)CCNCC1 AK-79153 [1,1,0,0,0,0|1,0,0]=3 306 B8R1.72 OC1(O)CCNCC1 AK109336 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.1 O=C1NC(CO)CC1 AK114000 [0,1,0,0,1,0|1,0,0]=3 308 B8R1.1 O=C1N[C@@H](CBr)CC1 AK-45071 [0,1,0,0,1,0|1,0,0]=3 309 B8R1.1 O=C1N[C@H](CBr)CC1 AK-45147 [0,1,0,0,1,0|1,0,0]=3 310 B8R1.1 O=C1OC[C@H](CI)N1 AK131031 [0,1,0,0,1,0|2,0,0]=4 311 B8R1.1 O=C1O[C@H](CCl)CN1 AK110469 [0,1,0,0,1,0|2,0,0]=4 312 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [0,1,0,0,1,0|1,0,0]=3 313 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [0,1,0,0,1,0|1,0,0]=3 314 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [0,1,0,0,1,0|1,0,1]=4 315 B8R1.50 CC1C(CCC1=O)=O AK-50538 [0,1,0,0,1,0|1,0,1]=4 316 B8R1.50 CC=1CCC(C1O)=O AK103328 [0,1,0,0,1,0|0,0,2]=4 317 B8R1.50 O=C1OC[C@@H](O)[C@H]1O AK158528 [0,1,0,0,1,0|2,0,0]=4 318 B8R1.51 CC1(C)CCC(=O)N1 AK-90081 [0,1,0,0,1,0|1,0,0]=3 319 B8R1.51 NC1CCS(C1)(=O)=O AK-81662 [0,1,0,0,1,0|2,0,0]=4 320 B8R1.51 N[C@@H]1CCS(C1)(=O)=O AK210018 [0,1,0,0,1,0|2,0,0]=4 321 B8R1.51 O=C1NCC(C)(C)C1 AK118621 [0,1,0,0,1,0|1,0,0]=3 322 B8R1.51 O=C1OC(C)(C)CC1 AK-44637 [0,1,0,0,1,0|1,0,0]=3 323 B10R1.1 NC1CCC(CCO)CC1 AK-68022 [0,2,0,0,0,0|1,0,1]=4 324 B10R1.1 O=C1CCC(CCC)CC1 AK-41694 [0,2,0,0,0,0|0,0,0]=2 325 B10R1.3 C(C)N1CCC(CC1)CO AK-39559 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.3 O=CN1CCC(CO)CC1 AK222664 [0,2,0,0,0,0|1,0,0]=3 327 B10R1.3 OC[C@H]1CC[C@H](CO)CC1 AK-25771 [0,2,0,0,0,0|0,0,2]=4 328 B10R1.13 CC(=O)N1CCC(=O)CC1 AK-34678 [0,2,0,0,0,0|1,0,0]=3 329 B10R1.13 CC(N1CCC(N)CC1)=O AK109930 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.13 CC1=CCC(C(C)=O)CC1 AK-49974 [0,2,0,0,0,0|1,0,1]=4 331 B10R1.13 CN(C)C1CCC(=O)CC1 AK-44354 [0,2,0,0,0,0|0,0,0]=2 332 B10R1.13 CN1CCC(CC1)C(N)=O AK101095 [0,2,0,0,0,0|1,0,1]=4 333 B10R1.13 CN1CCC(CC1)C(O)=O AK-48466 [0,2,0,0,0,0|1,0,1]=4 334 B10R1.13 CN1CCN(C(C)=O)CC1 AK-26172 [0,2,0,0,0,0|2,0,0]=4 335 B10R1.13 C[C@H]1CC[C@@H](CC1)C(O)=O AK-45247 [0,2,0,0,0,0|0,0,1]=3 336 B10R1.13 NC(=O)C1CCC(=O)CC1 AK-89999 [0,2,0,0,0,0|0,0,1]=3 337 B10R1.13 NC1CCC(N(C)C)CC1 AK125041 [0,2,0,0,0,0|1,0,1]=4 338 B10R1.13 N[C@H]1CC[C@@H](CC1)C(O)=O AK-29230 [0,2,0,0,0,0|1,0,1]=4 339 B10R1.13 N[C@H]1CC[C@H](CC1)C(O)=O AK-41665 [0,2,0,0,0,0|1,0,1]=4 340 B10R1.13 N[C@H]1CC[C@H](N(C)C)CC1 AK151296 [0,2,0,0,0,0|1,0,1]=4 341 B10R1.13 O=C(C1CCC(C)CC1)O AK164489 [0,2,0,0,0,0|0,0,1]=3 342 B10R1.13 O=C(C1CCC(CC1)=O)O AK107691 [0,2,0,0,0,0|0,0,1]=3 343 B10R1.13 O=C(C1CCN(C)CC1)O AK-47579 [0,2,0,0,0,0|1,0,1]=4 344 B10R1.13 O=C([C@H]1CC[C@@H](O)CC1)O AK-64579 [0,2,0,0,0,0|1,0,1]=4 345 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O AK-40159 [0,2,0,0,0,0|1,0,1]=4 346 B10R1.13 O=C([C@H]1CC[C@H](O)CC1)O AK116045 [0,2,0,0,0,0|1,0,1]=4 347 B10R1.13 OC1CCC(CC1)C(O)=O AK-64210 [0,2,0,0,0,0|1,0,1]=4 348 B10R1.13 OC1CCC(N(C)C)CC1 AK-88443 [0,2,0,0,0,0|0,0,2]=4 349 B10R1.25 C(C)C1CNC(CC1=O)=O AK-24496 [0,2,0,0,0,0|1,0,1]=4 350 B10R1.473 O=C1CC[N+](C)(CC)CC1 AK126848 [0,2,0,0,0,0|1,0,0]=3 351 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,0,1,1,0,0|1,0,0]=3 352 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,0,1,1,0,0|0,0,2]=4 353 B8R1.22 O=C1CNCCCN1 AK-94980 [0,0,1,1,0,0|2,0,0]=4 354 B8R1.22 O=C1NCCNCC1 AK-25582 [0,0,1,1,0,0|2,0,0]=4 355 B8R1.22 O=C1NCCOCC1 AK158455 [0,0,1,1,0,0|2,0,0]=4 356 B8R1.22 O=C1OCCCCC1 AK164169 [0,0,1,1,0,0|1,0,0]=3 357 B8R1.38 N1CC(C1)C(=O)OC AK-38972 [0,0,1,1,0,0|2,0,0]=4 358 B8R1.38 O=C(C1NCC1)OC AK-83806 [0,0,1,1,0,0|2,0,0]=4 359 B8R1.40 O=C(NC1CC1)CCl AK115237 [0,0,1,1,0,0|2,0,0]=4 360 B8R1.52 C[N+]1(CC)CCCC1 AK-40712 [0,0,1,1,0,0|2,0,0]=4 361 B8R1.23 CC(N1CC(O)C1)=O AK-40495 [0,0,1,1,0,0|2,0,0]=4 362 B8R1.23 O=C(C1CC(O)C1)O AK-51692 [0,0,1,1,0,0|2,0,0]=4 363 B8R1.23 O=C(C1CN(C)C1)O AK-67585 [0,0,1,1,0,0|2,0,0]=4 364 B8R1.23 O=C([C@H]1C[C@@H](N)C1)O AK-29496 [0,0,1,1,0,0|2,0,0]=4 365 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O AK-67699 [0,0,1,1,0,0|2,0,0]=4 366 B8R1.23 O=C([C@H]1C[C@H](O)C1)O AK129703 [0,0,1,1,0,0|2,0,0]=4 367 B8R1.77 CC1(C)CC1C(O)=O AK-36306 [0,0,1,1,0,0|1,0,0]=3 368 B8R1.77 O=C([C@@H]1C(C)(C)C1)O AK-87982 [0,0,1,1,0,0|1,0,0]=3 369 B8R2.11 NC1C2COCC12 AK-31517 [1,0,0,1,0,0|2,0,0]=4 370 B8R2.34 C12NC(CC1)CC2 AK-34482 [1,0,0,1,0,0|1,0,1]=4 371 B10R2.178 O=C1C2CC(CC2)CN1 AK311924 [0,0,0,1,0,1|1,0,0]=3 372 B10R2.409 N12CCC(NCC1)CC2 AK-93427 [0,0,0,1,0,1|2,0,0]=4 373 B10R2.62 NC1CN2CCC1CC2 AK-50755 [0,1,0,1,0,0|2,0,0]=4 374 B10R2.62 N[C@@H]1CN2CCC1CC2 AK-32971 [0,1,0,1,0,0|2,0,0]=4 375 B10R2.62 N[C@H]1CN2CCC1CC2 AK-25335 [0,1,0,1,0,0|2,0,0]=4 376 B10R2.62 O=C1C2CCC(CC2)C1 AK144709 [0,1,0,1,0,0|0,0,1]=3 377 B10R2.62 O=C1CN2CCC1CC2 AK-32961 [0,1,0,1,0,0|1,0,1]=4 378 B10R2.62 OC1C2CCC(CC2)C1 AK162852 [0,1,0,1,0,0|0,0,2]=4 379 B10R2.62 O[C@@H]1CN2CCC1CC2 AK-50721 [0,1,0,1,0,0|2,0,0]=4 380 B6R0.2 C(C(=O)O)N(C)C AK-41194 [0,0,1,0,1,0|2,0,0]=4 381 B6R0.2 CC(NC(C)C)=O AK-86542 [0,0,1,0,1,0|1,0,0]=3 382 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [0,0,1,0,1,0|2,0,0]=4 383 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [0,0,1,0,1,0|2,0,0]=4 384 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [0,0,1,0,1,0|2,0,0]=4 385 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [0,0,1,0,1,0|2,0,0]=4 386 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [0,0,1,0,1,0|2,0,0]=4 387 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [0,0,1,0,1,0|2,0,0]=4 388 B6R0.2 NC(C)CC(C)C AK205814 [0,0,1,0,1,0|1,0,1]=4 389 B6R0.2 O=C([O-])C[S+](C)C AK543883 [0,0,1,0,1,0|2,0,0]=4 390 B6R1.2 C1C(COC1)O AK-46125 [1,0,0,0,1,0|2,0,0]=4 391 B6R1.2 CC1CNCC1 AK-46149 [1,0,0,0,1,0|1,0,0]=3 392 B6R1.2 C[C@@H]1CCCN1 AK-28779 [1,0,0,0,1,0|1,0,0]=3 393 B6R1.2 C[C@@H]1CNCC1 AK-45142 [1,0,0,0,1,0|1,0,0]=3 394 B6R1.2 FC1CNCC1 AK-38962 [1,0,0,0,1,0|2,0,0]=4 395 B6R1.2 F[C@@H]1CCNC1 AK-30244 [1,0,0,0,1,0|2,0,0]=4 396 B6R1.2 F[C@H]1CCNC1 AK-32303 [1,0,0,0,1,0|2,0,0]=4 397 B6R1.2 IC1COCC1 AK162325 [1,0,0,0,1,0|2,0,0]=4 398 B6R1.2 I[C@H]1COCC1 AK170642 [1,0,0,0,1,0|2,0,0]=4 399 B6R1.2 N1CCC(O)C1 AK-27184 [1,0,0,0,1,0|2,0,0]=4 400 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [1,0,0,0,1,0|1,0,0]=3 401 B6R1.2 NC1=NCCC1 AK-81762 [1,0,0,0,1,0|2,0,0]=4 402 B6R1.2 NC1CC=CC1 AK-44792 [1,0,0,0,1,0|1,0,1]=4 403 B6R1.2 NC1CNCC1 AK-24781 [1,0,0,0,1,0|2,0,0]=4 404 B6R1.2 NC1COCC1 AK-25569 [1,0,0,0,1,0|2,0,0]=4 405 B6R1.2 N[C@@H]1CNCC1 AK-46300 [1,0,0,0,1,0|2,0,0]=4 406 B6R1.2 N[C@@H]1COCC1 AK-32266 [1,0,0,0,1,0|2,0,0]=4 407 B6R1.2 N[C@H]1CNCC1 AK-47751 [1,0,0,0,1,0|2,0,0]=4 408 B6R1.2 N[C@H]1CNCC1 AK-80471 [1,0,0,0,1,0|2,0,0]=4 409 B6R1.2 O1CC[C@H](C1)N AK-32944 [1,0,0,0,1,0|2,0,0]=4 410 B6R1.2 O=C1CCNC1 AK-46584 [1,0,0,0,1,0|1,0,0]=3 411 B6R1.2 O=C1CCOC1 AK-27035 [1,0,0,0,1,0|1,0,0]=3 412 B6R1.2 O=C1CSCC1 AK-40135 [1,0,0,0,1,0|1,0,0]=3 413 B6R1.2 O=C1NNCC1 AK-46169 [1,0,0,0,1,0|2,0,0]=4 414 B6R1.2 O=C1NOCC1 AK122832 [1,0,0,0,1,0|2,0,0]=4 415 B6R1.2 O=C1OCCN1 AK-94050 [1,0,0,0,1,0|2,0,0]=4 416 B6R1.2 O=C1OCCO1 AK101077 [1,0,0,0,1,0|2,0,0]=4 417 B6R1.2 O=C1SCCN1 AK-89361 [1,0,0,0,1,0|2,0,0]=4 418 B6R1.2 OC1CNCC1 AK-53403 [1,0,0,0,1,0|2,0,0]=4 419 B6R1.2 OC1CNCC1 AK134933 [1,0,0,0,1,0|2,0,0]=4 420 B6R1.2 O[C@@H]1CCNC1 AK-32737 [1,0,0,0,1,0|2,0,0]=4 421 B6R1.2 O[C@@H]1CCOC1 AK-36591 [1,0,0,0,1,0|2,0,0]=4 422 B6R1.2 O[C@@H]1CNCC1 AK-32613 [1,0,0,0,1,0|2,0,0]=4 423 B6R1.2 O[C@@H]1CNCC1 AK-33013 [1,0,0,0,1,0|2,0,0]=4 424 B6R1.2 O[C@H]1CCOC1 AK-36590 [1,0,0,0,1,0|2,0,0]=4 425 B6R1.2 O[C@H]1CNCC1 AK-25701 [1,0,0,0,1,0|2,0,0]=4 426 B6R1.5 NC1CC(=O)C1 AK-41683 [0,0,0,0,2,0|1,0,0]=3 427 B6R1.5 NC1CC(C)C1 AK131965 [0,0,0,0,2,0|1,0,1]=4 428 B8R0.28 O=C(O)CCCN(C)C AK-50053 [0,0,1,0,0,1|2,0,0]=4