0 B8R0.6 C(Cl)C(=O)NCCCC AK-59895 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.6 C=CC(CCCCC)=O AK164478 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.6 C=CC(O)CCCCC AK164470 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.6 O=C(OC)CCCCBr AK-88540 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.6 O=C(OC)CCCCN AK112995 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.6 O=C(OC)CCCOC AK151485 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.6 O=C(OC)COCCCl AK-44958 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 C=CCCCCCBr AK-40908 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.1 C=CCCCCNC AK142907 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.3 C=CC(NCCN)=O AK142923 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.3 CCCCC(NN)=O AK114657 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.3 O=C(OC)CCCBr AK-94853 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.3 O=C(OC)CCNC AK-85857 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 C#CCCCC(O)=O AK112298 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.4 C(CCC#N)C(O)=O AK-40359 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.4 CC(OCCCCl)=O AK167628 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.4 CCCCCB(O)O AK-46118 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.4 COCCCC(O)=O AK-76729 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.4 NC(OCCCC)=O AK116656 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.4 O=C(N)COCCCl AK113880 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.4 O=C(O)CCCCBr AK113954 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.4 O=C(O)CCCCCl AK139351 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.4 O=C(O)CCCCO AK198817 [1,0,0,0,0,0|2,0,0]=3 23 B9R0.1 C=C(C)CCCC(OC)=O AK550726 [0,1,0,0,0,0|1,0,2]=4 24 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [0,1,0,0,0,0|1,0,2]=4 25 B9R0.5 NCCCCC(=O)OCC AK-41723 [0,1,0,0,0,0|1,0,2]=4 26 B9R0.5 O=C(OCCCC)CC#N AK109261 [0,1,0,0,0,0|1,0,2]=4 27 B9R0.8 N[C@@H](CCSC)C(OC)=O AK-46079 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.8 O=C(OC)[C@@H](N)CCCN AK-41688 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.34 CCCC(CC(OC)=O)=O AK-93760 [0,1,0,0,0,0|1,0,2]=4 30 B9R0.46 O=C(OC)CCCCCBr AK113951 [0,1,0,0,0,0|1,0,1]=3 31 B9R0.46 O=C(OC)CCCCCN AK-47079 [0,1,0,0,0,0|1,0,1]=3 32 B9R0.47 C(C(=C)C)(=O)NCCCN AK-39332 [0,1,0,0,0,0|2,0,0]=3 33 B9R0.47 CCCCCC(N)C(O)=O AK-87757 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.47 CCCCC[C@@H](N)C(O)=O AK106125 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.47 CCCCC[C@H](N)C(O)=O AK106126 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.47 C[C@H](N)C(OCCCC)=O AK-76562 [0,1,0,0,0,0|1,0,2]=4 37 B9R1.1 C1(CCC(=O)CC1)CC AK-47285 [0,0,0,1,0,0|0,0,2]=3 38 B9R1.1 O=C1CCC(CO)CC1 AK114473 [0,0,0,1,0,0|1,0,2]=4 39 B9R1.1 O=C1CCC(NC)CC1 AK-43402 [0,0,0,1,0,0|1,0,2]=4 40 B9R1.1 O=C1CCC(OC)CC1 AK-58310 [0,0,0,1,0,0|1,0,2]=4 41 B9R1.1 O=C1NCC(CO)CC1 AK-88773 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.5 CN1CCNCCC1=O AK-63341 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.5 CN1CCNCCC1=O AK-77181 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [0,0,0,1,0,0|1,0,1]=3 45 B9R1.5 O=C1N(C)CCCNC1 AK-81379 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.5 O=C1NCCCCC1N AK-77858 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.7 CCCC1=CC=C(Br)S1 AK-89997 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.7 O=C1OC[C@H](CCC)C1 AK543520 [0,0,0,1,0,0|1,0,1]=3 52 B9R1.11 COC(=O)[C@H]1CCCN1 AK-81261 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.11 O=C(C1CNCC1)OC AK-72873 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.11 O=C(C1COCC1)NN AK114109 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.11 O=C(C1COCC1)OC AK137950 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.11 O=C(C1NCCC1)OC AK-81380 [0,0,0,1,0,0|2,0,1]=4 57 B9R1.11 O=C(OC)[C@H]1NCCC1 AK-46611 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.11 O=C([C@@H]1CNCC1)OC AK-65093 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.11 O=C([C@H]1CNCC1)OC AK-77335 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.49 O=C1NCC(N)CCC1 AK129608 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,0,0,1,0,0|0,0,2]=3 62 B9R1.50 O=C1NCCCCCC1 AK-84407 [0,0,0,1,0,0|1,0,1]=3 63 B6R0.6 C=CCCCCBr AK-48086 [2,0,0,0,0,0|1,0,0]=3 64 B6R0.6 C\C=C\CCCO AK-46431 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.6 ClCCCCC=O AK110863 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.6 O=CCCCCO AK-40206 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.1 CCCC(NN)=O AK-95909 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.4 CC(CCCCl)=O AK-48368 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.4 CCCCC([O-])=O AK163205 [2,0,0,0,0,0|1,0,0]=3 70 B6R0.4 NC(OCCC)=O AK116320 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.4 O=C(O)CCCCl AK113749 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.4 O=C(O)CCCN AK-43987 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.4 O=C(O)CCNC AK155866 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.4 O=C(O)CCOC AK-88477 [2,0,0,0,0,0|2,0,0]=4 75 B8R0.4 C=CCCCCCCCl AK164503 [1,1,0,0,0,0|0,0,1]=3 76 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [1,1,0,0,0,0|0,0,2]=4 77 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [1,1,0,0,0,0|0,0,2]=4 78 B8R0.9 C=CC(OCC(O)C)=O AK110453 [1,1,0,0,0,0|1,0,0]=3 79 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [1,1,0,0,0,0|1,0,0]=3 81 B8R0.21 CCCCCS([O-])(=O)=O AK-86036 [1,1,0,0,0,0|2,0,0]=4 82 B8R0.28 O=C(O)CCCN(C)C AK-50053 [1,1,0,0,0,0|2,0,0]=4 83 B10R0.1 CCOC(=O)CCCCCBr AK111109 [0,2,0,0,0,0|0,0,2]=4 84 B10R0.1 O=C(OCC)CCCCCN AK145590 [0,2,0,0,0,0|0,0,2]=4 85 B10R0.83 C=C(C#N)C(OCCCC)=O AK162172 [0,2,0,0,0,0|1,0,0]=3 86 B10R0.83 O=C(OC)[C@@H](N)CCCCN AK-81274 [0,2,0,0,0,0|1,0,1]=4 87 B10R0.83 O=C(OC)[C@H](N)CCCCN AK101735 [0,2,0,0,0,0|1,0,1]=4 88 B10R0.18 CCCCC(CC(OC)=O)=O AK105368 [0,2,0,0,0,0|1,0,1]=4 89 B10R0.55 COC(=O)CCCCC(C)=O AK102293 [0,2,0,0,0,0|1,0,1]=4 90 B10R0.74 CCCCCCCC(NN)=O AK117029 [0,2,0,0,0,0|2,0,0]=4 91 B10R0.74 CCCCCCCC(NO)=O AK-43792 [0,2,0,0,0,0|2,0,0]=4 92 B10R0.74 COC(CCCCCCBr)=O AK-29360 [0,2,0,0,0,0|1,0,1]=4 93 B10R0.74 O=C(OC)CCCCCCN AK-61182 [0,2,0,0,0,0|1,0,1]=4 94 B8R1.2 OCC1CCC=CC1 AK-63968 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.11 O=C1C(CC)CCC1 AK112291 [1,0,0,1,0,0|1,0,1]=4 96 B8R1.22 C=C1OCCCCO1 AK154780 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.22 O=C1C=CCCCC1 AK-88461 [1,0,0,1,0,0|1,0,1]=4 98 B8R1.22 O=C1OCCCCC1 AK164169 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.3 O=C1COC(O)C=C1 AK-82130 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.50 CC=1CCC(C1O)=O AK103328 [1,0,0,1,0,0|1,0,1]=4 101 B8R1.4 NC=1CCCC(C1)=O AK-49851 [1,0,0,1,0,0|1,0,1]=4 102 B8R1.4 O=C1CC(C)NCC1 AK-45778 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.7 O=C(C1CCCC1)O AK-39169 [1,0,0,1,0,0|1,0,0]=3 108 B8R1.7 O=C(C1COCC1)O AK-44786 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.7 O=C(C1NCCC1)N AK-65799 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.7 O=C(N)[C@H]1NCCC1 AK-46342 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.7 O=C([C@H]1COCC1)O AK-30108 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.7 O=[C@@]([C@@H]1CNCC1)O AK-74153 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.7 OC(=O)C1CCCN1 AK-54077 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.7 OC(=O)C1CCCO1 AK-60899 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.7 OC(=O)[C@@H]1CCNC1 AK-29667 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.7 OC(=O)[C@H]1CCNC1 AK-73148 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.34 O=C(O)CC1CCC1 AK-76669 [1,0,0,1,0,0|1,0,0]=3 120 B10R1.14 O=C(C1CC(N)CC1)OC AK144646 [0,1,0,1,0,0|1,0,1]=4 121 B10R1.14 O=C([C@@H]1C[C@@H](N)CC1)OC AK173650 [0,1,0,1,0,0|1,0,1]=4 122 B10R1.14 O=C([C@@H]1C[C@H](N)CC1)OC AK185405 [0,1,0,1,0,0|1,0,1]=4 123 B10R1.10 O=C1CC(CCC)NCC1 AK129486 [0,1,0,1,0,0|0,0,2]=4 124 B10R1.21 CCCCCC1=CC=CS1 AK117060 [0,1,0,1,0,0|0,1,0]=3 125 B10R1.25 C(C)C1CNC(CC1=O)=O AK-24496 [0,1,0,1,0,0|1,0,1]=4 126 B10R1.29 CC1=NC=CN1CCCC AK542383 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.29 CCCCC1=C(Br)SC=C1 AK-88319 [0,1,0,1,0,0|1,0,1]=4 128 B10R1.130 CCCC1=C(O)OC(=O)C1 AK103363 [0,1,0,1,0,0|1,0,1]=4 129 B10R1.130 O=C1OC(OCC)C(Br)=C1 AK-51536 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.15 COC(=O)C1CCCCN1 AK-75909 [0,1,0,1,0,0|1,0,1]=4 131 B10R1.15 COC(=O)C1CCCCO1 AK-82436 [0,1,0,1,0,0|1,0,1]=4 132 B10R1.15 COC(=O)[C@H]1CCCCN1 AK-44845 [0,1,0,1,0,0|1,0,1]=4 133 B10R1.15 COC(C1CCCNC1)=O AK-27698 [0,1,0,1,0,0|1,0,1]=4 134 B10R1.15 ClCC(N1CCCCC1)=O AK115226 [0,1,0,1,0,0|1,0,1]=4 135 B10R1.15 N1CCC(CC1)C(=O)OC AK-50719 [0,1,0,1,0,0|1,0,1]=4 136 B10R1.15 N1CCCC[C@@H]1C(=O)OC AK-29738 [0,1,0,1,0,0|1,0,1]=4 137 B10R1.15 NCC(N1CCCCC1)=O AK389192 [0,1,0,1,0,0|1,0,1]=4 138 B10R1.15 O=C(C1CCNCC1)NC AK130215 [0,1,0,1,0,0|1,0,1]=4 139 B10R1.15 O=C(C1CCNCC1)OC AK116971 [0,1,0,1,0,0|1,0,1]=4 140 B10R1.15 O=C(C1CCOCC1)OC AK-41265 [0,1,0,1,0,0|1,0,1]=4 141 B10R1.15 O=C(C1CNCCC1)OC AK-86479 [0,1,0,1,0,0|1,0,1]=4 142 B10R1.15 O=C(C1NCCCC1)OC AK-41701 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.15 O=C([C@@H]1CNCCC1)OC AK-65136 [0,1,0,1,0,0|1,0,1]=4 144 B10R1.15 O=C([C@H]1CNCCC1)NC AK203541 [0,1,0,1,0,0|1,0,1]=4 145 B10R1.15 O=[C@]([C@H]1NCCCC1)OC AK-33856 [0,1,0,1,0,0|1,0,1]=4 146 B10R1.411 O=C(C1(N)CCCC1)OC AK-44021 [0,1,0,1,0,0|1,0,1]=4 147 B10R1.27 O=C(OC)C[C@@H]1NCCC1 AK144146 [0,1,0,1,0,0|1,0,1]=4 148 B10R1.27 O=C(OC)C[C@H]1NCCC1 AK-86767 [0,1,0,1,0,0|1,0,1]=4 149 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C AK-38248 [0,1,0,1,0,0|1,0,1]=4 150 B10R1.149 O=C([C@H]1CNC[C@@H]1C)OC AK544675 [0,1,0,1,0,0|1,0,1]=4 151 B10R1.149 O=C([C@H]1N(C)CCC1)OC AK158809 [0,1,0,1,0,0|1,0,1]=4 152 B10R1.1 O=C1CCC(CCC)CC1 AK-41694 [0,1,0,1,0,0|0,0,2]=4 153 B10R1.2 O=C1N(CC)CCNC1=O AK114555 [0,1,0,1,0,0|2,0,0]=4 154 B10R2.178 O=C1C2CC(CC2)CN1 AK311924 [0,0,0,2,0,0|1,0,1]=4 155 B10R2.14 O=C1NCC(C2CC2)C1 AK-77637 [0,0,0,2,0,0|1,0,1]=4