0 B7R0.4 C#CCCCC(O)=O AK112298 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.4 C(CCC#N)C(O)=O AK-40359 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.4 CC(O)CNCCO AK142435 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CC(OCCCCl)=O AK167628 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.4 CCCCCB(O)O AK-46118 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.4 COCCCC(O)=O AK-76729 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.4 NC(OCCCC)=O AK116656 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.4 O=C(N)COCCCl AK113880 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.4 O=C(O)CCCCBr AK113954 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.4 O=C(O)CCCCCl AK139351 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.4 O=C(O)CCCCO AK198817 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.4 O=C(O)\C=C\OCC AK-46090 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.4 CC(CCCCl)=O AK-48368 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.4 CC(OCCBr)=O AK165045 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.4 CCCCB(O)O AK-44016 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.4 CCCCC([O-])=O AK163205 [1,0,0,0,0,0|0,0,1]=2 16 B6R0.4 NC(OCCC)=O AK116320 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.4 O=C(N)NCCO AK121931 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.4 O=C(O)CCC#N AK-47909 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.4 O=C(O)CCCCl AK113749 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.4 O=C(O)CCCN AK-43987 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.4 O=C(O)CCNC AK155866 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.4 O=C(O)CCOC AK-88477 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.4 OC(=O)CCC#C AK-32594 [1,0,0,0,0,0|0,0,2]=3 24 B6R0.4 OCNCC(=O)[O-] AK-79027 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.6 BrCCCCCBr AK134932 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.6 C(CCO)CCBr AK-72934 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.6 C=CCCCCBr AK-48086 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.6 CCCNCCO AK-60790 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.6 C\C=C\CCCO AK-46431 [1,0,0,0,0,0|0,0,3]=4 30 B6R0.6 ClCCCCC=O AK110863 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.6 ClCCOCCO AK114565 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.6 FCCCCCBr AK-48229 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.6 O=CCCCCO AK-40206 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.6 OCCCCNC AK112657 [1,0,0,0,0,0|1,0,1]=3 35 B8R0.5 C=CC[C@@H](N)CC(O)=O AK111359 [0,1,0,0,0,0|0,0,2]=3 36 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [0,1,0,0,0,0|0,0,0]=1 37 B8R0.5 O=C(OCC)CC(N)=O AK-44357 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.5 O=C([O-])CC(OCC)=O AK-88661 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.6 C(Cl)C(=O)NCCCC AK-59895 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.6 C=CC(CCCCC)=O AK164478 [0,1,0,0,0,0|1,0,0]=2 41 B8R0.6 C=CC(O)CCCCC AK164470 [0,1,0,0,0,0|1,0,1]=3 42 B8R0.6 O=C(OC)CCCCBr AK-88540 [0,1,0,0,0,0|1,0,0]=2 43 B8R0.6 O=C(OC)CCCCN AK112995 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.6 O=C(OC)CCCOC AK151485 [0,1,0,0,0,0|1,0,0]=2 45 B8R0.6 O=C(OC)COCCCl AK-44958 [0,1,0,0,0,0|2,0,0]=3 46 B8R0.6 OC[C@@H](N)CCCCN AK165144 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.7 C#CCCCCC(O)=O AK-40047 [0,1,0,0,0,0|0,0,1]=2 48 B8R0.7 C(=N)(NCCCCN)N AK-49694 [0,1,0,0,0,0|3,0,0]=4 49 B8R0.7 CC(O)CCCCCC AK113715 [0,1,0,0,0,0|1,0,1]=3 50 B8R0.7 C[C@@H](O)CCCCCC AK115983 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.7 NC(NCCCCN)=N AK-81861 [0,1,0,0,0,0|3,0,0]=4 52 B8R0.7 NC(NCCCCN)=N AK608136 [0,1,0,0,0,0|3,0,0]=4 53 B8R0.7 O=C(O)CCCCCBr AK-35122 [0,1,0,0,0,0|0,0,0]=1 54 B8R0.7 O=C(O)CCCCCN AK144762 [0,1,0,0,0,0|0,0,0]=1 55 B8R0.7 O=C(O)CCCCCO AK-41893 [0,1,0,0,0,0|0,0,0]=1 56 B8R0.7 O=C(O)COCCOC AK-33517 [0,1,0,0,0,0|1,0,0]=2 57 B8R0.7 O=C([O-])CCCCCO AK142914 [0,1,0,0,0,0|0,0,1]=2 58 B8R0.7 O=C([O-])CCNCCN AK545212 [0,1,0,0,0,0|1,0,1]=3 59 B8R0.7 OC(=O)CCCCCCl AK-48239 [0,1,0,0,0,0|0,0,0]=1 60 B8R0.8 CC#CC[C@H](N)C(O)=O AK130681 [0,1,0,0,0,0|0,0,2]=3 61 B8R0.8 CCCC[C@@H](N)C(O)=O AK-76426 [0,1,0,0,0,0|0,0,0]=1 62 B8R0.8 CCCC[C@H](N)C(N)=O AK170163 [0,1,0,0,0,0|1,0,0]=2 63 B8R0.8 NC(CCSC)C(O)=O AK-81252 [0,1,0,0,0,0|1,0,0]=2 64 B8R0.8 N[C@@H](CCCC)C(O)=O AK-49687 [0,1,0,0,0,0|0,0,0]=1 65 B8R0.8 N[C@@H](CCCN)C(O)=O AK-46743 [0,1,0,0,0,0|1,0,0]=2 66 B8R0.8 O=C(O)[C@@H](N)CCCN AK-44096 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.8 O=C(O)[C@@H](N)CCSC AK-73057 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.8 O=C(O)[C@@H](N)CC[Se]C AK-81303 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.8 O=C([O-])C(O)CCSC AK109150 [0,1,0,0,0,0|1,0,1]=3 70 B8R0.9 C(C(OC)=O)CC(O)=O AK-47290 [0,1,0,0,0,0|1,0,1]=3 71 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [0,1,0,0,0,0|0,0,2]=3 72 B8R0.9 O=C(O)CCC(CN)=O AK-30504 [0,1,0,0,0,0|1,0,1]=3 73 B8R0.9 O=C(O)CNC(CN)=O AK-46058 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.9 O=C(O)CNC(OC)=O AK158445 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.21 CCCCCS([O-])(=O)=O AK-86036 [0,1,0,0,0,0|1,0,1]=3 76 B8R0.21 CS(=O)(OCCCC)=O AK114028 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.21 OP(CCCCN)(O)=O AK-46310 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.28 O=C(O)CCCC(O)=O AK114297 [0,1,0,0,0,0|1,0,1]=3 79 B8R0.28 O=C(O)CCCN(C)C AK-50053 [0,1,0,0,0,0|1,0,0]=2 80 B8R0.28 O=C(O)\C=C\CN(C)C AK-44120 [0,1,0,0,0,0|1,0,2]=4 81 B8R0.28 O=C(O)\C=C\CN(C)C AK164346 [0,1,0,0,0,0|1,0,2]=4 82 B8R1.1 O=C1NC(CO)CC1 AK114000 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.1 O=C1N[C@@H](CBr)CC1 AK-45071 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.1 O=C1N[C@H](CBr)CC1 AK-45147 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.1 O=C1OC[C@H](CI)N1 AK131031 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.1 O=C1O[C@H](CCl)CN1 AK110469 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.4 C[C@H]1O[C@H](C)CNC1 AK-67874 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.4 NC1CCCC(C1)O AK-36106 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.4 NC=1CCCC(C1)=O AK-49851 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.4 O=C1CSCC(O1)=O AK307186 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,0,0,1,0,0|2,0,0]=3 102 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.7 CC(C1SCCN1)=O AK163728 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.7 C[C@@H](N)C1CCCC1 AK332865 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [0,0,0,1,0,0|1,0,0]=2 106 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [0,0,0,1,0,0|1,0,0]=2 107 B8R1.7 O=C(C1=CCCC1)O AK-33463 [0,0,0,1,0,0|0,0,2]=3 108 B8R1.7 O=C(C1CC=CC1)O AK-36334 [0,0,0,1,0,0|0,0,2]=3 109 B8R1.7 O=C(C1CCCC1)O AK-39169 [0,0,0,1,0,0|0,0,0]=1 110 B8R1.7 O=C(C1COCC1)O AK-44786 [0,0,0,1,0,0|1,0,0]=2 111 B8R1.7 O=C(C1NCCC1)N AK-65799 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.7 O=C(C1NCOC1)O AK118758 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.7 O=C(C1SCCN1)O AK-50392 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.7 O=C(N)[C@H]1NCCC1 AK-46342 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [0,0,0,1,0,0|1,0,0]=2 116 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [0,0,0,1,0,0|1,0,0]=2 117 B8R1.7 O=C([C@H]1COCC1)O AK-30108 [0,0,0,1,0,0|1,0,0]=2 118 B8R1.7 O=C([C@H]1NCC=C1)O AK-77612 [0,0,0,1,0,0|1,0,2]=4 119 B8R1.7 O=C([C@H]1NCSC1)O AK-77692 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.7 O=[C@@]([C@@H]1CNCC1)O AK-74153 [0,0,0,1,0,0|1,0,0]=2 121 B8R1.7 OB(C1CCCC1)O AK-61891 [0,0,0,1,0,0|1,0,1]=3 122 B8R1.7 OC(=O)C1CCCN1 AK-54077 [0,0,0,1,0,0|1,0,0]=2 123 B8R1.7 OC(=O)C1CCCO1 AK-60899 [0,0,0,1,0,0|1,0,0]=2 124 B8R1.7 OC(=O)[C@@H]1CCNC1 AK-29667 [0,0,0,1,0,0|1,0,0]=2 125 B8R1.7 OC(=O)[C@H]1CCNC1 AK-73148 [0,0,0,1,0,0|1,0,0]=2 126 B8R1.7 OC(=O)[C@H]1CSCN1 AK-78160 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.7 [C@@H]1(NCC=C1)C(O)=O AK-45899 [0,0,0,1,0,0|1,0,2]=4 128 B8R1.22 C=C1OCCCCO1 AK154780 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,0,0,1,0,0|2,0,0]=3 130 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,0,0,1,0,0|1,0,1]=3 131 B8R1.22 O=C1CNCCCN1 AK-94980 [0,0,0,1,0,0|2,0,0]=3 132 B8R1.22 O=C1NCCNCC1 AK-25582 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.22 O=C1NCCOCC1 AK158455 [0,0,0,1,0,0|2,0,0]=3 134 B8R1.22 O=C1OCCCCC1 AK164169 [0,0,0,1,0,0|0,0,0]=1 135 B8R1.34 CC(OC1CNC1)=O AK-71497 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.34 CC(OC1CNC1)=O AK208566 [0,0,0,1,0,0|3,0,0]=4 137 B8R1.34 O=C(O)CC1CCC1 AK-76669 [0,0,0,1,0,0|0,0,0]=1 138 B8R1.72 CC1(CCOCC1)O AK-31507 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.72 C[N+]1(C)CCCCC1 AK163545 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.72 O=S1(CCCCO1)=O AK-49451 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.72 O=S1(CCNCC1)=O AK-26927 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.72 O=S1(CCNCC1)=O AK-34978 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.72 OC1(C)CCCCC1 AK161821 [0,0,0,1,0,0|1,0,1]=3 144 B8R1.72 OC1(C)CCNCC1 AK-79153 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.72 OC1(O)CCNCC1 AK109336 [0,0,0,1,0,0|1,0,2]=4 146 B5R0.1 C#CCC(O)=O AK106962 [2,0,0,0,0,0|0,0,2]=4 147 B5R0.1 C(C(=O)O)NC AK-47434 [2,0,0,0,0,0|1,0,0]=3 148 B5R0.1 CC#CC(O)=O AK-49957 [2,0,0,0,0,0|0,0,2]=4 149 B5R0.1 CCCB(O)O AK-47948 [2,0,0,0,0,0|1,0,1]=4 150 B5R0.1 CNCC(N)=O AK-90265 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.1 NCCC(N)=O AK-26218 [2,0,0,0,0,0|2,0,0]=4 152 B5R0.1 NCCC(O)=O AK-41261 [2,0,0,0,0,0|1,0,0]=3 153 B5R0.1 O=C(N)CSC AK-34209 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.1 O=P(CCN)O AK477259 [2,0,0,0,0,0|2,0,0]=4 155 B5R0.2 C(CCN)CN AK-46742 [2,0,0,0,0,0|2,0,0]=4 156 B5R0.2 C=CCCCO AK325629 [2,0,0,0,0,0|0,0,2]=4 157 B5R0.2 ClCCCCBr AK105174 [2,0,0,0,0,0|2,0,0]=4 158 B5R0.2 ICCCCCl AK116716 [2,0,0,0,0,0|2,0,0]=4 159 B5R0.2 ICCCCI AK112667 [2,0,0,0,0,0|2,0,0]=4 160 B5R0.2 NCCCCBr AK-51681 [2,0,0,0,0,0|2,0,0]=4 161 B5R0.2 NOCCCC AK-85835 [2,0,0,0,0,0|2,0,0]=4 162 B5R0.2 OCCCCN AK-58038 [2,0,0,0,0,0|1,0,0]=3 163 B5R0.2 OCCCNC AK112615 [2,0,0,0,0,0|1,0,0]=3 164 B7R0.2 CCC(N)CC(O)=O AK-45971 [1,1,0,0,0,0|0,0,0]=2 165 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [1,1,0,0,0,0|0,0,0]=2 166 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [1,1,0,0,0,0|0,0,0]=2 167 B7R0.2 N[C@@H](CO)CC(O)=O AK-23884 [1,1,0,0,0,0|1,0,0]=3 168 B7R0.2 O=C(O)CC(OC)=O AK-77136 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.2 O=C(O)C[C@H](N)CO AK-72526 [1,1,0,0,0,0|1,0,0]=3 170 B7R0.3 CCCCC(NN)=O AK114657 [1,1,0,0,0,0|1,0,0]=3 171 B7R0.3 CCCCC(O)CO AK161793 [1,1,0,0,0,0|0,0,2]=4 172 B7R0.3 O=C(OC)CCCBr AK-94853 [1,1,0,0,0,0|1,0,0]=3 173 B7R0.3 O=C(OC)CCNC AK-85857 [1,1,0,0,0,0|1,0,0]=3 174 B7R0.5 C#CCC(N)C(O)=O AK323755 [1,1,0,0,0,0|0,0,2]=4 175 B7R0.5 C#CC[C@@H](N)C(O)=O AK107685 [1,1,0,0,0,0|0,0,2]=4 176 B7R0.5 C#CC[C@@H](N)C(O)=O AK158803 [1,1,0,0,0,0|0,0,2]=4 177 B7R0.5 C#CC[C@H](N)C(O)=O AK-93444 [1,1,0,0,0,0|0,0,2]=4 178 B7R0.5 C#CC[C@H](N)C(O)=O AK110719 [1,1,0,0,0,0|0,0,2]=4 179 B7R0.5 C=CC[C@@H](N)C(O)=O AK-26105 [1,1,0,0,0,0|0,0,2]=4 180 B7R0.5 C=CC[C@@H](N)C(O)=O AK-70926 [1,1,0,0,0,0|0,0,2]=4 181 B7R0.5 C=CC[C@H](N)C(O)=O AK-49452 [1,1,0,0,0,0|0,0,2]=4 182 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [1,1,0,0,0,0|0,0,0]=2 183 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [1,1,0,0,0,0|0,0,0]=2 184 B7R0.5 COCC(N)C(O)=O AK-87739 [1,1,0,0,0,0|1,0,0]=3 185 B7R0.5 NC(CCO)C(O)=O AK-41514 [1,1,0,0,0,0|1,0,0]=3 186 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [1,1,0,0,0,0|1,0,0]=3 187 B7R0.5 O=C(O)C(N)CCN AK-44002 [1,1,0,0,0,0|1,0,0]=3 188 B7R0.5 O=C(O)C(O)CCN AK-75839 [1,1,0,0,0,0|1,0,0]=3 189 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [1,1,0,0,0,0|1,0,0]=3 190 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [1,1,0,0,0,0|1,0,0]=3 191 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [1,1,0,0,0,0|1,0,0]=3 193 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [1,1,0,0,0,0|1,0,0]=3 194 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [1,1,0,0,0,0|1,0,0]=3 195 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [1,1,0,0,0,0|1,0,0]=3 196 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [1,1,0,0,0,0|0,0,0]=2 197 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [1,1,0,0,0,0|1,0,0]=3 198 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [1,1,0,0,0,0|0,0,1]=3 199 B7R0.6 CC(=O)NCC(O)=O AK-49883 [1,1,0,0,0,0|1,0,1]=4 200 B7R0.6 C[S+](CCC(O)=O)C AK114711 [1,1,0,0,0,0|1,0,0]=3 201 B7R0.6 O=C(O)CCN(C)C AK-33348 [1,1,0,0,0,0|1,0,0]=3 202 B7R0.8 C([P](O)(O)=O)CCN AK-33107 [1,1,0,0,0,0|2,0,0]=4 203 B7R0.8 CCCCS(=O)([O-])=O AK-86030 [1,1,0,0,0,0|1,0,1]=4 204 B7R0.8 O=S(CCCN)(O)=O AK208811 [1,1,0,0,0,0|2,0,0]=4 205 B7R0.1 BrCCCCCC#N AK-81731 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.1 C(CCCBr)CCBr AK-48407 [1,1,0,0,0,0|1,0,1]=4 207 B7R0.1 C(CCCCC#C)O AK-30082 [1,1,0,0,0,0|0,0,2]=4 208 B7R0.1 C=CCCCCCBr AK-40908 [1,1,0,0,0,0|1,0,0]=3 209 B7R0.1 C=CCCCCNC AK142907 [1,1,0,0,0,0|1,0,0]=3 210 B7R0.1 ICCCCCCI AK165087 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.1 NCCCCCCN AK129024 [1,1,0,0,0,0|1,0,1]=4 212 B7R0.1 NCCCNCCO AK-50569 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.1 OCCCCCCBr AK110830 [1,1,0,0,0,0|0,0,1]=3 214 B7R0.1 OCCCCCCCl AK-47999 [1,1,0,0,0,0|0,0,1]=3 215 B7R0.1 OCCCCCCN AK-84482 [1,1,0,0,0,0|0,0,1]=3 216 B9R0.4 O=C(O)C[C@@H](N)CCSC AK486956 [0,2,0,0,0,0|0,0,0]=2 217 B9R0.23 O=C(O)CC(N)C(OC)=O AK162672 [0,2,0,0,0,0|1,0,1]=4 218 B9R0.23 O=C(O)C[C@H](N)C(OC)=O AK-41500 [0,2,0,0,0,0|1,0,1]=4 219 B9R0.34 CCCC(CC(OC)=O)=O AK-93760 [0,2,0,0,0,0|0,0,1]=3 220 B9R0.34 O=C(OC)CC(COC)=O AK-76878 [0,2,0,0,0,0|1,0,1]=4 221 B9R0.53 CC(C)CC(N)CC(O)=O AK-34862 [0,2,0,0,0,0|0,0,0]=2 222 B9R0.53 CC(C)C[C@H](N)CC(O)=O AK-44602 [0,2,0,0,0,0|0,0,0]=2 223 B9R0.53 CC(C)C[C@H](N)CC(O)=O AK-89143 [0,2,0,0,0,0|0,0,0]=2 224 B9R0.53 O=C(O)CC(N)CC(O)=O AK-81843 [0,2,0,0,0,0|1,0,1]=4 225 B9R0.58 CCCC(C)(O)CC(O)=O AK-68251 [0,2,0,0,0,0|0,0,0]=2 226 B9R0.1 C=C(C)CCCC(OC)=O AK550726 [0,2,0,0,0,0|0,0,1]=3 227 B9R0.1 COC(=O)CCCC(Cl)=O AK-78695 [0,2,0,0,0,0|1,0,1]=4 228 B9R0.1 COC(=O)CCCC(O)=O AK-76606 [0,2,0,0,0,0|0,0,1]=3 229 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [0,2,0,0,0,0|1,0,0]=3 230 B9R0.5 NCCCCC(=O)OCC AK-41723 [0,2,0,0,0,0|1,0,0]=3 231 B9R0.5 O=C(OCC)COCCCl AK-86508 [0,2,0,0,0,0|2,0,0]=4 232 B9R0.5 O=C(OCCCC)CC#N AK109261 [0,2,0,0,0,0|2,0,0]=4 233 B9R0.8 N[C@@H](CCSC)C(OC)=O AK-46079 [0,2,0,0,0,0|1,0,0]=3 234 B9R0.8 O=C(OC)[C@@H](N)CCCN AK-41688 [0,2,0,0,0,0|1,0,0]=3 235 B9R0.24 COC(=O)CCC(=O)CN AK-79197 [0,2,0,0,0,0|1,0,1]=4 236 B9R0.46 CCCCCCC(C)CO AK158822 [0,2,0,0,0,0|1,0,1]=4 237 B9R0.46 O=C(OC)CCCCCBr AK113951 [0,2,0,0,0,0|0,0,0]=2 238 B9R0.46 O=C(OC)CCCCCN AK-47079 [0,2,0,0,0,0|0,0,0]=2 239 B9R0.47 C(CC(N)C(O)=O)CCN AK-73020 [0,2,0,0,0,0|0,0,0]=2 240 B9R0.47 CCCCCC(N)C(O)=O AK-87757 [0,2,0,0,0,0|0,0,0]=2 241 B9R0.47 CCCCC[C@@H](N)C(O)=O AK106125 [0,2,0,0,0,0|0,0,0]=2 242 B9R0.47 CCCCC[C@H](N)C(O)=O AK106126 [0,2,0,0,0,0|0,0,0]=2 243 B9R0.47 C[C@H](N)C(OCCCC)=O AK-76562 [0,2,0,0,0,0|2,0,0]=4 244 B9R0.47 NC(CCCCN)C(O)=O AK-81251 [0,2,0,0,0,0|0,0,0]=2 245 B9R0.47 N[C@@H](CCCCN)C(N)=O AK327278 [0,2,0,0,0,0|1,0,0]=3 246 B9R0.47 N[C@H](CCCCN)C(O)=O AK-23885 [0,2,0,0,0,0|0,0,0]=2 247 B9R0.47 O=C(O)[C@@H](N)CCCCN AK-46553 [0,2,0,0,0,0|0,0,0]=2 248 B9R0.47 O=C(O)[C@@H](N)CCCCN AK101731 [0,2,0,0,0,0|0,0,0]=2 249 B9R0.47 O=C(O)[C@@H](N)CSCC=C AK106112 [0,2,0,0,0,0|0,0,2]=4 250 B9R0.47 O=C(O)[C@H](N)CSCC=C AK106122 [0,2,0,0,0,0|0,0,2]=4 251 B9R0.2 C=CCCCCCC(O)=O AK164507 [0,2,0,0,0,0|0,0,0]=2 252 B9R0.2 CCCCCCCB(O)O AK145619 [0,2,0,0,0,0|1,0,1]=4 253 B9R0.2 O=C(O)CCCCCCN AK-47536 [0,2,0,0,0,0|0,0,0]=2 254 B9R0.2 OC(=O)CCCCCCBr AK-28585 [0,2,0,0,0,0|0,0,0]=2 255 B9R0.2 OCCCCCCC(O)=O AK-29232 [0,2,0,0,0,0|0,0,0]=2 256 B9R0.38 CCCCCCS(=O)([O-])=O AK-86034 [0,2,0,0,0,0|1,0,1]=4 257 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [0,2,0,0,0,0|1,0,1]=4 258 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [0,2,0,0,0,0|0,0,1]=3 259 B9R0.55 CC(=O)CCCCC(O)=O AK-48369 [0,2,0,0,0,0|0,0,0]=2 260 B9R0.7 C(C(C(O)=O)N)CC(N)=O AK-44182 [0,2,0,0,0,0|1,0,1]=4 261 B9R0.7 NC(CCC(O)=O)C(O)=O AK-44032 [0,2,0,0,0,0|1,0,1]=4 262 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O AK-81265 [0,2,0,0,0,0|1,0,1]=4 263 B9R0.7 N[C@H](CCC(N)=O)C(O)=O AK-44181 [0,2,0,0,0,0|1,0,1]=4 264 B9R0.7 O=C(O)CNC(C(S)C)=O AK501603 [0,2,0,0,0,0|1,0,1]=4 265 B9R0.7 O=C(O)[C@@H](N)CCC(O)=O AK-44364 [0,2,0,0,0,0|1,0,1]=4 266 B9R0.7 O=C(O)[C@@H](N)CCS(C)=O AK-78295 [0,2,0,0,0,0|1,0,0]=3 267 B9R0.7 O=C(O)[C@@H](N)COC(C)=O AK124368 [0,2,0,0,0,0|1,0,1]=4 268 B9R0.7 O=C(O)[C@H](N)CCC(O)=O AK-47369 [0,2,0,0,0,0|1,0,1]=4 269 B9R0.7 [C@H](N)(CCC(C)C)C(O)=O AK-34655 [0,2,0,0,0,0|0,0,0]=2 270 B9R0.13 CCCCC(CC)C([O-])=O AK159156 [0,2,0,0,0,0|0,0,1]=3 271 B9R0.42 O=C(O)C(N)CC(OC)=O AK109363 [0,2,0,0,0,0|1,0,1]=4 272 B9R0.42 O=C(O)[C@@H](N)CC(OC)=O AK-48824 [0,2,0,0,0,0|1,0,1]=4 273 B9R0.42 O=C(O)[C@H](C)CC(OC)=O AK-93758 [0,2,0,0,0,0|1,0,1]=4 274 B9R0.42 O=C(O)[C@H](N)CC(OC)=O AK112678 [0,2,0,0,0,0|1,0,1]=4 275 B9R0.42 [C@@H](N)(CC(=O)OC)C(O)=O AK-43922 [0,2,0,0,0,0|1,0,1]=4 276 B7R1.2 FC1COC(=O)O1 AK111108 [1,0,0,1,0,0|2,0,0]=4 277 B7R1.2 O=C1CCC(O1)=O AK139125 [1,0,0,1,0,0|1,0,1]=4 278 B7R1.2 O=C1OC(C)=CC1 AK601784 [1,0,0,1,0,0|0,0,2]=4 279 B7R1.2 O=C1OC(C)CC1 AK117314 [1,0,0,1,0,0|0,0,0]=2 280 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [1,0,0,1,0,0|1,0,0]=3 282 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [1,0,0,1,0,0|1,0,0]=3 283 B7R1.3 C1C(=O)CCNC1 AK-46400 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.3 O=C1CCCCO1 AK101117 [1,0,0,1,0,0|0,0,0]=2 285 B7R1.3 O=C1CCCOC1 AK-32516 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.3 O=C1CCOCC1 AK-25731 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.3 O=C1CCSCC1 AK-25499 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.3 O=C1CNCCC1 AK-38925 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.3 O=C1CNCCC1 AK-64363 [1,0,0,1,0,0|2,0,0]=4 290 B7R1.3 O=C1COCCN1 AK-37649 [1,0,0,1,0,0|2,0,0]=4 291 B7R1.3 O=C1CSCCC1 AK112945 [1,0,0,1,0,0|2,0,0]=4 292 B7R1.3 O=C1NCCCN1 AK-40132 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.3 O=C1NCCNC1 AK-26132 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.3 O=C1NCCSC1 AK-94004 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.3 O=C1OCCOC1 AK117129 [1,0,0,1,0,0|1,0,0]=3 296 B7R1.3 O=S1OCCCO1 AK307879 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.10 O=C1CC(CBr)C1 AK135042 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.12 O=C(C1C(F)C1)O AK-73995 [1,0,0,1,0,0|1,0,0]=3 299 B7R1.12 O=C([C@H]1[C@@H](F)C1)O AK161119 [1,0,0,1,0,0|1,0,0]=3 300 B7R1.12 O=C([C@H]1[C@H](F)C1)O AK161248 [1,0,0,1,0,0|1,0,0]=3 301 B7R1.18 C(=O)(C1OCC1)O AK-38212 [1,0,0,1,0,0|1,0,0]=3 302 B7R1.18 C1(CCC1)C(C)O AK-39885 [1,0,0,1,0,0|1,0,1]=4 303 B7R1.18 N1CC[C@@H]1C(=O)O AK-23961 [1,0,0,1,0,0|1,0,0]=3 304 B7R1.18 O=C(C1CCC1)N AK117552 [1,0,0,1,0,0|1,0,0]=3 305 B7R1.18 O=C(C1CNC1)O AK-21934 [1,0,0,1,0,0|1,0,0]=3 306 B7R1.18 O=C([C@@H]1NCC1)O AK118698 [1,0,0,1,0,0|1,0,0]=3 307 B7R1.18 OB(C1CCC1)O AK-84302 [1,0,0,1,0,0|1,0,1]=4 308 B7R1.18 OC(=O)C1CCN1 AK-27256 [1,0,0,1,0,0|1,0,0]=3 309 B7R1.1 BrCC1CCCC1 AK-88361 [1,0,0,1,0,0|1,0,1]=4 310 B7R1.1 C(C1CCCC1)O AK-46653 [1,0,0,1,0,0|0,0,1]=3 311 B7R1.1 CC[C@H]1NCCC1 AK131266 [1,0,0,1,0,0|1,0,1]=4 312 B7R1.1 NCC1CCCC1 AK-27938 [1,0,0,1,0,0|1,0,1]=4 313 B7R1.1 NNC1CCCC1 AK-44319 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.1 OCC1CCCN1 AK-40306 [1,0,0,1,0,0|1,0,1]=4 315 B7R1.1 OCC1CNCC1 AK-26048 [1,0,0,1,0,0|1,0,1]=4 316 B7R1.1 OCC1CNCC1 AK-38963 [1,0,0,1,0,0|1,0,1]=4 317 B7R1.1 OCC1CNCC1 AK105115 [1,0,0,1,0,0|1,0,1]=4 318 B7R1.1 OCC1COCC1 AK-51698 [1,0,0,1,0,0|1,0,1]=4 319 B7R1.1 OCC1OCCC1 AK106959 [1,0,0,1,0,0|1,0,1]=4 320 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [1,0,0,1,0,0|1,0,1]=4 321 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [1,0,0,1,0,0|1,0,1]=4 322 B7R1.1 OC[C@H]1CNCC1 AK-32836 [1,0,0,1,0,0|1,0,1]=4 323 B7R1.1 OC[C@H]1CNCC1 AK108367 [1,0,0,1,0,0|1,0,1]=4 324 B7R1.1 OC[C@H]1COCC1 AK129134 [1,0,0,1,0,0|1,0,1]=4 325 B7R1.1 OC[C@H]1NCCC1 AK-46693 [1,0,0,1,0,0|1,0,1]=4 326 B7R1.4 CC1CSCC1=O AK104742 [1,0,0,1,0,0|1,0,0]=3 327 B7R1.4 NN1CCCC1=O AK-78653 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.4 N[C@@H]1CCC[C@H]1O AK-27349 [1,0,0,1,0,0|1,0,1]=4 329 B7R1.4 N[C@@H]1CCC[C@H]1O AK-36104 [1,0,0,1,0,0|1,0,1]=4 330 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.4 N[C@H]1CCC[C@@H]1O AK-24345 [1,0,0,1,0,0|1,0,1]=4 332 B7R1.4 N[C@H]1CCC[C@H]1O AK-33189 [1,0,0,1,0,0|1,0,1]=4 333 B7R1.4 N[C@H]1CCOC1=O AK-41531 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.4 O=C1C(CCO1)Br AK-35370 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.4 O=C1C(N)CCS1 AK117085 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.4 O=C1NCCN1C AK-78526 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [1,0,0,1,0,0|2,0,0]=4 338 B7R1.4 O=C1NCC[C@H]1N AK-43088 [1,0,0,1,0,0|2,0,0]=4 339 B7R1.4 O=C1NCC[C@H]1O AK-39107 [1,0,0,1,0,0|2,0,0]=4 340 B7R1.4 O=C1OCCC1N AK543042 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.4 OC1C(N)CCC1 AK-50447 [1,0,0,1,0,0|1,0,1]=4 343 B7R1.4 OC1CCNC1=O AK-39164 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.4 O[C@@H]1[C@H](N)CCC1 AK-34210 [1,0,0,1,0,0|1,0,1]=4 345 B7R1.4 O[C@H]1[C@H](N)CCC1 AK327767 [1,0,0,1,0,0|1,0,1]=4 346 B7R1.4 S=C1N(C)CCC1 AK308101 [1,0,0,1,0,0|1,1,0]=4 347 B7R1.6 OCCN1CCC1 AK116274 [1,0,0,1,0,0|1,0,1]=4 348 B7R1.24 O1CCNCCC1 AK-81388 [1,0,0,1,0,0|1,0,1]=4 349 B9R1.7 O=C1OC[C@H](CCC)C1 AK543520 [0,1,0,1,0,0|0,0,0]=2 350 B9R1.13 CC(N[C@@H]1CNCC1)=O AK-87500 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.13 CC(N[C@H]1CNCC1)=O AK-57730 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.13 O1CCC(C1)CC(=O)O AK-37736 [0,1,0,1,0,0|0,0,0]=2 353 B9R1.13 O=C(O)CC1CCCC1 AK-44360 [0,1,0,1,0,0|0,0,0]=2 354 B9R1.13 O=C(O)C[C@@H]1NCCC1 AK-80502 [0,1,0,1,0,0|0,0,0]=2 355 B9R1.13 O=C(O)C[C@H]1NCCC1 AK-80500 [0,1,0,1,0,0|0,0,0]=2 356 B9R1.13 OC(=O)CN1CCCC1 AK109942 [0,1,0,1,0,0|0,0,0]=2 357 B9R1.13 [C@@H]1(CC(O)=O)CCCN1 AK-68480 [0,1,0,1,0,0|0,0,0]=2 358 B9R1.22 O=C1O[C@H](CO)[C@@H](O)C1 AK-98144 [0,1,0,1,0,0|1,0,0]=3 359 B9R1.34 CC1CC(C)CC(O)C1 AK103636 [0,1,0,1,0,0|1,0,1]=4 360 B9R1.41 CN1CCC[C@H]1C(=O)O AK-46644 [0,1,0,1,0,0|0,0,0]=2 361 B9R1.41 O=C(C1N(C)CCC1)O AK125185 [0,1,0,1,0,0|0,0,0]=2 362 B9R1.41 O=C(C1N(C)CCC1)O AK543096 [0,1,0,1,0,0|0,0,0]=2 363 B9R1.41 O=C([C@@H]1N(C)CCC1)O AK165548 [0,1,0,1,0,0|0,0,0]=2 364 B9R1.41 O=C([C@@H]1[C@@H](N)CCC1)O AK129335 [0,1,0,1,0,0|0,0,0]=2 365 B9R1.41 O=C([C@H]1N(C)CCC1)O AK-50484 [0,1,0,1,0,0|0,0,0]=2 366 B9R1.41 O=C([C@H]1NCC[C@H]1O)O AK135074 [0,1,0,1,0,0|1,0,0]=3 367 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [0,1,0,1,0,0|1,0,1]=4 368 B9R1.48 O=C1CC(CCCN1)=O AK163792 [0,1,0,1,0,0|1,0,1]=4 369 B9R1.48 O=C1NCCCC(N)C1 AK132100 [0,1,0,1,0,0|1,0,0]=3 370 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [0,1,0,1,0,0|1,0,0]=3 371 B9R1.66 O=C1CC(C)(C)NCC1 AK158739 [0,1,0,1,0,0|2,0,0]=4 372 B9R1.66 O=C1CC(C)(C)OCC1 AK-25320 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.137 CC(CC(C1CC1)=O)=O AK-84405 [0,1,0,1,0,0|1,0,1]=4 374 B9R1.1 C1(CCC(=O)CC1)CC AK-47285 [0,1,0,1,0,0|1,0,0]=3 375 B9R1.1 O=C1CCC(CO)CC1 AK114473 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.1 O=C1CCC(NC)CC1 AK-43402 [0,1,0,1,0,0|2,0,0]=4 377 B9R1.1 O=C1CCC(OC)CC1 AK-58310 [0,1,0,1,0,0|2,0,0]=4 378 B9R1.1 O=C1NCC(CO)CC1 AK-88773 [0,1,0,1,0,0|2,0,0]=4 379 B9R1.2 O=C1NC(CO)COC1 AK130955 [0,1,0,1,0,0|2,0,0]=4 380 B9R1.2 O=C1NCCC(CO)C1 AK170344 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.2 O=C1NCCN(CC)C1 AK480961 [0,1,0,1,0,0|2,0,0]=4 382 B9R1.5 CN1CCNCCC1=O AK-63341 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.5 CN1CCNCCC1=O AK-77181 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [0,1,0,1,0,0|1,0,0]=3 385 B9R1.5 O=C1N(C)CCCNC1 AK-81379 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.5 O=C1NCCCCC1N AK-77858 [0,1,0,1,0,0|1,0,0]=3 387 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,1,0,1,0,0|1,0,0]=3 388 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,1,0,1,0,0|1,0,0]=3 389 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,1,0,1,0,0|1,0,0]=3 390 B9R1.11 COC(=O)[C@H]1CCCN1 AK-81261 [0,1,0,1,0,0|1,0,0]=3 391 B9R1.11 O=C(C1=CCCC1)OC AK-39180 [0,1,0,1,0,0|0,0,2]=4 392 B9R1.11 O=C(C1CNCC1)OC AK-72873 [0,1,0,1,0,0|1,0,0]=3 393 B9R1.11 O=C(C1COCC1)NN AK114109 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.11 O=C(C1COCC1)OC AK137950 [0,1,0,1,0,0|1,0,0]=3 395 B9R1.11 O=C(C1NCCC1)OC AK-81380 [0,1,0,1,0,0|1,0,0]=3 396 B9R1.11 O=C(OC)[C@H]1NCCC1 AK-46611 [0,1,0,1,0,0|1,0,0]=3 397 B9R1.11 O=C([C@@H]1CNCC1)OC AK-65093 [0,1,0,1,0,0|1,0,0]=3 398 B9R1.11 O=C([C@H]1CNCC1)OC AK-77335 [0,1,0,1,0,0|1,0,0]=3 399 B9R1.11 OC[C@@H](N)C1CCCC1 AK677837 [0,1,0,1,0,0|1,0,1]=4 400 B9R1.49 O=C1NCC(N)CCC1 AK129608 [0,1,0,1,0,0|1,0,0]=3 401 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,1,0,1,0,0|1,0,0]=3 403 B9R1.50 O=C1NCCCCCC1 AK-84407 [0,1,0,1,0,0|1,0,0]=3 404 B9R1.118 OCC1(F)CCCCC1 AK-32002 [0,1,0,1,0,0|1,0,1]=4 405 B9R1.6 CC(=O)N1CCOCC1 AK-59803 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.6 CC(C1CCCCC1)=O AK110444 [0,1,0,1,0,0|1,0,0]=3 407 B9R1.6 CC(C1CCNCC1)=O AK-76366 [0,1,0,1,0,0|1,0,0]=3 408 B9R1.6 CC(C1CCOCC1)=O AK-58675 [0,1,0,1,0,0|1,0,0]=3 409 B9R1.6 CC(O)C1CCOCC1 AK600722 [0,1,0,1,0,0|1,0,1]=4 410 B9R1.6 N1CCCC[C@H]1C(=O)O AK-51322 [0,1,0,1,0,0|0,0,0]=2 411 B9R1.6 N1CCNC[C@@H]1C(=O)O AK-46417 [0,1,0,1,0,0|1,0,0]=3 412 B9R1.6 N1CCNC[C@H]1C(=O)O AK-33494 [0,1,0,1,0,0|1,0,0]=3 413 B9R1.6 O1CCC(CC1)C(=O)O AK-23928 [0,1,0,1,0,0|0,0,0]=2 414 B9R1.6 O=C(C1=CCCCO1)O AK-78816 [0,1,0,1,0,0|0,0,2]=4 415 B9R1.6 O=C(C1CCCCC1)O AK-73017 [0,1,0,1,0,0|0,0,0]=2 416 B9R1.6 O=C(C1CCNCC1)N AK-25908 [0,1,0,1,0,0|1,0,0]=3 417 B9R1.6 O=C(C1CCNCC1)N AK-65946 [0,1,0,1,0,0|1,0,0]=3 418 B9R1.6 O=C(C1CCNCC1)O AK-47605 [0,1,0,1,0,0|0,0,0]=2 419 B9R1.6 O=C(C1CCOCC1)N AK-90382 [0,1,0,1,0,0|1,0,0]=3 420 B9R1.6 O=C(C1CNCCC1)N AK-44355 [0,1,0,1,0,0|1,0,0]=3 421 B9R1.6 O=C(C1CNCCC1)O AK-35333 [0,1,0,1,0,0|0,0,0]=2 422 B9R1.6 O=C(C1CNCCN1)O AK-44180 [0,1,0,1,0,0|1,0,0]=3 423 B9R1.6 O=C(C1COCCC1)O AK-65298 [0,1,0,1,0,0|0,0,0]=2 424 B9R1.6 O=C(C1NCCCC1)N AK-50709 [0,1,0,1,0,0|1,0,0]=3 425 B9R1.6 O=C(C1NCCCC1)O AK-35539 [0,1,0,1,0,0|0,0,0]=2 426 B9R1.6 O=C(C1NCCCC1)O AK126108 [0,1,0,1,0,0|0,0,0]=2 427 B9R1.6 O=C(C1NCCNC1)O AK-34591 [0,1,0,1,0,0|1,0,0]=3 428 B9R1.6 O=C(C1NCCOC1)O AK-53947 [0,1,0,1,0,0|1,0,0]=3 429 B9R1.6 O=C(C1SCCCN1)O AK164034 [0,1,0,1,0,0|1,0,0]=3 430 B9R1.6 O=C(N1CCNCC1)C AK-44435 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.6 O=C(N1CCNCC1)N AK187919 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.6 O=C([C@@H]1CC=CCC1)O AK130960 [0,1,0,1,0,0|0,0,1]=3 433 B9R1.6 O=C([C@@H]1CNCCC1)O AK-37130 [0,1,0,1,0,0|0,0,0]=2 434 B9R1.6 O=C([C@@H]1CNCCO1)O AK142739 [0,1,0,1,0,0|1,0,0]=3 435 B9R1.6 O=C([C@@H]1NCCCC1)O AK-44408 [0,1,0,1,0,0|0,0,0]=2 436 B9R1.6 O=C([C@@H]1NCCOC1)O AK162039 [0,1,0,1,0,0|1,0,0]=3 437 B9R1.6 O=C([C@@H]1OCCOC1)O AK550289 [0,1,0,1,0,0|1,0,0]=3 438 B9R1.6 O=C([C@H]1CC=CCC1)O AK-77496 [0,1,0,1,0,0|0,0,1]=3 439 B9R1.6 O=C([C@H]1CNCCC1)O AK-36729 [0,1,0,1,0,0|0,0,0]=2 440 B9R1.6 O=C([C@H]1CNCCN1)N AK174403 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.6 O=C([C@H]1CNCCO1)O AK143268 [0,1,0,1,0,0|1,0,0]=3 442 B9R1.6 O=C([C@H]1NCCCC1)O AK-44409 [0,1,0,1,0,0|0,0,0]=2 443 B9R1.6 O=C([C@H]1NCCNC1)N AK174402 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.6 O=C([C@H]1NCCOC1)O AK-32781 [0,1,0,1,0,0|1,0,0]=3 445 B9R1.6 O=C([C@H]1NCCOC1)O AK109013 [0,1,0,1,0,0|1,0,0]=3 446 B9R1.6 O=C([C@H]1OCCOC1)O AK167731 [0,1,0,1,0,0|1,0,0]=3 447 B9R1.6 OB(O)C1CCCCC1 AK-44451 [0,1,0,1,0,0|1,0,1]=4 448 B9R1.6 OC(=O)C1=CCCCC1 AK-48425 [0,1,0,1,0,0|0,0,1]=3 449 B9R1.6 OC(=O)C1CCC=CC1 AK-33140 [0,1,0,1,0,0|0,0,1]=3 450 B9R1.35 CC(N1CC(N)CC1)=O AK148501 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.35 CC(N1CC(O)CC1)=O AK-83647 [0,1,0,1,0,0|2,0,0]=4 452 B9R1.35 CC(N1C[C@H](N)CC1)=O AK144251 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.35 N1(CC(C(=O)O)CC1)C AK-27826 [0,1,0,1,0,0|1,0,0]=3 454 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 AK-65072 [0,1,0,1,0,0|0,0,2]=4 455 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 AK113066 [0,1,0,1,0,0|0,0,2]=4 456 B9R1.35 O=C(C1CC(N)CC1)O AK-95492 [0,1,0,1,0,0|0,0,0]=2 457 B9R1.35 O=C(C1CCC(N1)=O)O AK-41431 [0,1,0,1,0,0|1,0,1]=4 458 B9R1.35 O=C(C1CCC(O1)=O)O AK154758 [0,1,0,1,0,0|1,0,1]=4 459 B9R1.35 O=C(O)[C@@H]1NC[C@@H](O)C1 AK-40161 [0,1,0,1,0,0|1,0,0]=3 460 B9R1.35 O=C(O)[C@H]1NC[C@H](O)C1 AK-26056 [0,1,0,1,0,0|1,0,0]=3 461 B9R1.35 O=C([C@@H]1CC(CC1)=O)O AK100868 [0,1,0,1,0,0|0,0,1]=3 462 B9R1.35 O=C([C@@H]1CCC(N1)=O)O AK-61177 [0,1,0,1,0,0|1,0,1]=4 463 B9R1.35 O=C([C@@H]1NC[C@@H](N)C1)O AK-42168 [0,1,0,1,0,0|1,0,0]=3 464 B9R1.35 O=C([C@@H]1NC[C@@H](O)C1)O AK-41934 [0,1,0,1,0,0|1,0,0]=3 465 B9R1.35 O=C([C@H]1CC(CC1)=O)O AK-99964 [0,1,0,1,0,0|0,0,1]=3 466 B9R1.35 O=C([C@H]1CCC(N1)=O)O AK-46027 [0,1,0,1,0,0|1,0,1]=4 467 B9R1.35 O=C([C@H]1CCC(O1)=O)O AK-39191 [0,1,0,1,0,0|1,0,1]=4 468 B9R1.35 O=C([C@H]1C[C@@H](N)CC1)O AK159207 [0,1,0,1,0,0|0,0,0]=2 469 B9R1.35 O=C([C@H]1C[C@H](N)CC1)O AK163486 [0,1,0,1,0,0|0,0,0]=2 470 B9R1.35 O=C([C@H]1NC[C@@H](N)C1)O AK133481 [0,1,0,1,0,0|1,0,0]=3 471 B9R1.35 O=C([C@H]1NC[C@@H](O)C1)O AK-38980 [0,1,0,1,0,0|1,0,0]=3 472 B9R1.35 O=C([C@H]1NC[C@@H](O)C1)O AK-75743 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.35 O=C([C@H]1NC[C@H](O)C1)O AK162668 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.35 O=C1CC(CC1)C(=O)O AK-31826 [0,1,0,1,0,0|0,0,1]=3 475 B9R1.35 O=C1OC[C@@H](C(C)C)N1 AK-36974 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.35 O=C1OC[C@H](C(C)C)N1 AK-33649 [0,1,0,1,0,0|2,0,0]=4 477 B9R1.35 OC(=O)[C@@H]1C[C@H](F)CN1 AK-30114 [0,1,0,1,0,0|1,0,0]=3 478 B9R1.35 O[C@H]1CN[C@H](C1)C(=O)O AK-39011 [0,1,0,1,0,0|1,0,0]=3 479 B9R1.35 [C@H]1(NC[C@H](O)C1)C(=O)O AK-46403 [0,1,0,1,0,0|1,0,0]=3 480 B9R1.110 NC(C1CCC1)C(O)=O AK-88091 [0,1,0,1,0,0|0,0,0]=2 481 B9R1.112 O=C(O)[C@@H](N)CC1CC1 AK-46409 [0,1,0,1,0,0|0,0,0]=2 482 B9R1.112 O=C(O)[C@H](N)CC1CC1 AK-44500 [0,1,0,1,0,0|0,0,0]=2 483 B9R1.163 O=C(C1(CCCC1)N)O AK-29341 [0,1,0,1,0,0|0,0,0]=2 484 B9R1.163 O=C(C1(F)CCCC1)O AK319573 [0,1,0,1,0,0|0,0,0]=2 485 B9R1.163 O=C([C@@]1(C)NCCC1)O AK164729 [0,1,0,1,0,0|1,0,0]=3 486 B9R1.163 O=C([C@]1(C)NCCC1)O AK116999 [0,1,0,1,0,0|1,0,0]=3 487 B9R1.163 OC(=O)C1(O)CCCC1 AK-60583 [0,1,0,1,0,0|0,0,0]=2 488 B9R1.10 NC1CCS(CC1)(=O)=O AK-79011 [0,1,0,1,0,0|1,0,1]=4 489 B9R1.10 NC1CC[S](CC1)(=O)=O AK-49076 [0,1,0,1,0,0|1,0,1]=4 490 B9R1.10 OC1CCS(=O)(=O)CC1 AK-77776 [0,1,0,1,0,0|1,0,1]=4 491 B9R1.114 ClS(=O)(=O)CC1CCC1 AK109599 [0,1,0,1,0,0|1,0,1]=4 492 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 AK-42226 [0,0,0,2,0,0|1,0,0]=3 493 B9R2.25 O=C1OC(C2CC12)=O AK-38223 [0,0,0,2,0,0|1,0,1]=4