0 B7R0.7 CCCC(C)CCO 6091AL [0,0,0,0,0,0|1,0,0]=1 1 B7R0.7 CCCN(C)CCC 0883AE [0,0,0,0,0,0|3,0,0]=3 2 B7R0.7 CCNC(=O)CCN 1836AD [0,0,0,0,0,0|2,1,1]=4 3 B7R0.7 CCNC(C)CCO 9482AE [0,0,0,0,0,0|2,0,0]=2 4 B7R0.7 O=C(CCO)CCO 5879AB [0,0,0,0,0,0|1,1,1]=3 5 B6R0.1 C#CC(O)CCC X7102 [1,0,0,0,0,0|0,1,2]=4 6 B6R0.1 C#CCC(O)CC 6781AL [1,0,0,0,0,0|0,1,2]=4 7 B6R0.1 C=CC(C)CCC 6092AL [1,0,0,0,0,0|1,0,2]=4 8 B6R0.1 CCC(=O)CSC K829 [1,0,0,0,0,0|1,1,1]=4 9 B6R0.1 CCC(O)CNN 2943AE [1,0,0,0,0,0|2,1,0]=4 10 B6R0.1 CCCC(=O)SC 8847AJ [1,0,0,0,0,0|1,1,1]=4 11 B6R0.1 CCCC(Br)CC 3975AB [1,0,0,0,0,0|1,0,0]=2 12 B6R0.1 CCCC(C)CC 7810AF [1,0,0,0,0,0|1,0,0]=2 13 B6R0.1 CCCC(C)CO 1207AA [1,0,0,0,0,0|1,0,0]=2 14 B6R0.1 CCCC(O)CC 7557AF [1,0,0,0,0,0|0,1,0]=2 15 B6R0.1 CCC\C(N)=N\O 8990AD [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 CCNC(C)CC 7145AD [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 CCOC(=N)CC 8352AC [1,0,0,0,0,0|2,0,1]=4 18 B6R0.1 CCOC(C)CN 0082AD [1,0,0,0,0,0|3,0,0]=4 19 B6R0.1 CCOC(C)CN Y4465 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.1 CC[C@@H](N)COC 8948AH [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 CC[C@H](C)CCO 4202AL [1,0,0,0,0,0|1,0,0]=2 22 B6R0.1 CC[C@H](N)COC 9106AH [1,0,0,0,0,0|2,0,0]=3 23 B6R0.1 CNC(=O)CCO 8079AE [1,0,0,0,0,0|1,1,1]=4 24 B6R0.1 CNCC(C)OC 1691AF [1,0,0,0,0,0|3,0,0]=4 25 B6R0.1 C[C@H](CO)CCO 1249AL [1,0,0,0,0,0|2,0,0]=3 26 B6R0.1 OC(CCl)CCCl 4625AL [1,0,0,0,0,0|2,1,0]=4 27 B6R0.1 O[C@H](CBr)CCBr 9809AB [1,0,0,0,0,0|2,1,0]=4 28 B6R0.6 C=CCSCCC R577 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.6 CC#CCCCC 5638AL [1,0,0,0,0,0|1,0,2]=4 30 B6R0.6 CCCCCC#N 8042AL [1,0,0,0,0,0|1,0,1]=3 31 B6R0.6 CCCCCSC 7567AF [1,0,0,0,0,0|2,0,0]=3 32 B6R0.6 CCCCOCC 7302AL [1,0,0,0,0,0|2,0,0]=3 33 B6R0.6 CCCCOCCl S779 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.6 CCCOCCC 7558AF [1,0,0,0,0,0|2,0,0]=3 35 B6R0.6 CCCOCCN 5789AL [1,0,0,0,0,0|2,0,0]=3 36 B6R0.6 CCCSCCC 7569AF [1,0,0,0,0,0|2,0,0]=3 37 B6R0.6 CCC\C=C/CO 7423AL [1,0,0,0,0,0|0,0,2]=3 38 B6R0.6 CCNCCCN 8239AC [1,0,0,0,0,0|2,0,0]=3 39 B6R0.6 CCNCCCO 5711AJ [1,0,0,0,0,0|1,0,0]=2 40 B6R0.6 CCOCCCO D587 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.6 CCOCCNC 5385AD [1,0,0,0,0,0|3,0,0]=4 42 B6R0.6 CC\C=C\CCC 9219AL [1,0,0,0,0,0|1,0,2]=4 43 B6R0.6 COCCCCN AMTGC536 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.6 C\C=C/CCCC 7422AL [1,0,0,0,0,0|1,0,2]=4 45 B6R0.6 C\C=C/CCCCl 7455AL [1,0,0,0,0,0|1,0,2]=4 46 B6R0.6 C\C=C\CCCC 7780AF [1,0,0,0,0,0|1,0,2]=4 47 B6R0.6 NCCNCCCl 8169AB [1,0,0,0,0,0|3,0,0]=4 48 B6R0.6 NCCOCCN 1537AL [1,0,0,0,0,0|3,0,0]=4 49 B6R0.6 NCCSCCN K553 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.6 NCCSCCO 8189AD [1,0,0,0,0,0|2,0,0]=3 51 B6R0.6 O=CCCCCO Z3600 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.6 [C-]#[N+]CCCOC Y2595 [1,0,0,0,0,0|3,0,0]=4 53 B8R0.1 CCCC(C)COC=O 5740AL [0,1,0,0,0,0|1,0,2]=4 54 B8R0.1 CCCCC(=O)CCC 8758AB [0,1,0,0,0,0|1,1,1]=4 55 B8R0.1 CCCCC(Br)CCC 7975AF [0,1,0,0,0,0|2,0,0]=3 56 B8R0.1 CCCNC(=O)CCN 2039AD [0,1,0,0,0,0|1,1,1]=4 57 B8R0.1 CNCC(=O)NCCO 2049AD [0,1,0,0,0,0|1,1,1]=4 58 B8R0.1 NCCC(=O)NCCO 2327AD [0,1,0,0,0,0|1,1,1]=4 59 B8R0.3 CCCC(=O)C(C)CC 7877AA [0,1,0,0,0,0|1,1,1]=4 60 B8R0.5 C=C(C)CC(C)CCC 5311AL [0,1,0,0,0,0|2,0,1]=4 61 B8R0.5 CC(O)CN(C)CCO AMTGC580 [0,1,0,0,0,0|2,0,0]=3 62 B8R0.5 CCCC(C)CC(C)C 5321AL [0,1,0,0,0,0|2,0,0]=3 63 B8R0.22 CCCC(C=O)CCC 6135AD [0,1,0,0,0,0|1,1,0]=3 64 B8R0.22 CCCC(CC)CCC 6496AL [0,1,0,0,0,0|2,0,0]=3 65 B8R0.22 CCCN(CCC)N=O 8613AL [0,1,0,0,0,0|2,1,0]=4 66 B8R0.30 CCCC(C)(O)CCC 6603AL [0,1,0,0,0,0|1,1,0]=3 67 B8R1.4 CC1CC(=O)CCN1 1072AC [0,0,0,1,0,0|1,1,1]=4 68 B8R1.4 CC1CC(=O)CCN1 6568AA [0,0,0,1,0,0|1,1,1]=4 69 B8R1.4 CC1CC(N)CCO1 1818AJ [0,0,0,1,0,0|1,0,0]=2 70 B8R1.4 CC1CC(O)CCN1 1810AJ [0,0,0,1,0,0|1,1,0]=3 71 B8R1.4 CC1CCCC(N)C1 W7860 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.4 CC1CCOC(C)O1 5310AL [0,0,0,1,0,0|2,0,0]=3 73 B8R1.4 CC1CN(C)CCN1 Z2448 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.4 CN1CCC[C@@H](N)C1 8990AH [0,0,0,1,0,0|3,0,0]=4 75 B8R1.4 CN1CCC[C@@H](O)C1 Z2109 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.4 CN1CCC[C@H](N)C1 9156AH [0,0,0,1,0,0|3,0,0]=4 77 B8R1.4 CN1CCC[C@H](O)C1 Z2139 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.4 C[C@@H]1CCC[C@@H](C)C1 9192AL [0,0,0,1,0,0|2,0,0]=3 79 B8R1.4 C[C@@H]1CN(C)CCN1 8938AH [0,0,0,1,0,0|3,0,0]=4 80 B8R1.4 C[C@H]1CCC[C@@H](C)C1 7412AL [0,0,0,1,0,0|2,0,0]=3 81 B8R1.4 N[C@H]1CCC[C@@H](N)C1 7409AL [0,0,0,1,0,0|2,0,0]=3 82 B8R1.4 N[C@H]1CCC[C@H](N)C1 9190AL [0,0,0,1,0,0|2,0,0]=3 83 B8R1.4 O=C1C[C@@H](O)CCN1 W6428 [0,0,0,1,0,0|1,1,1]=4 84 B8R1.4 O[C@@H]1CCC[C@@H](O)C1 9191AL [0,0,0,1,0,0|0,1,0]=2 85 B8R1.4 O[C@H]1CCC[C@@H](O)C1 7408AL [0,0,0,1,0,0|0,1,0]=2 86 B8R1.6 COCC1CC(N)C1 2030AJ [0,0,0,1,0,0|3,0,0]=4 87 B8R1.8 BrCCN1CCCC1 1440AA [0,0,0,1,0,0|3,0,0]=4 88 B8R1.8 BrCCN1CCCC1 2569AC [0,0,0,1,0,0|3,0,0]=4 89 B8R1.8 BrCCN1CCCC1 7750AB [0,0,0,1,0,0|3,0,0]=4 90 B8R1.8 C=CCC1CCCC1 1184AQ [0,0,0,1,0,0|2,0,1]=4 91 B8R1.8 CCCC1CCNC1 9744AC [0,0,0,1,0,0|2,0,0]=3 92 B8R1.8 CCNC1CCCC1 0012AD [0,0,0,1,0,0|3,0,0]=4 93 B8R1.8 CCN[C@H]1CCNC1 4073AL [0,0,0,1,0,0|3,0,0]=4 94 B8R1.8 CCOC1CCNC1 2264AJ [0,0,0,1,0,0|3,0,0]=4 95 B8R1.8 CCOC1CCNC1 6283AB [0,0,0,1,0,0|3,0,0]=4 96 B8R1.8 CCO[C@@H]1CCNC1 8998AH [0,0,0,1,0,0|3,0,0]=4 97 B8R1.8 CCO[C@@H]1CCNC1 V3659 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.8 CCO[C@H]1CCNC1 7072AA [0,0,0,1,0,0|3,0,0]=4 99 B8R1.8 CNCC1CCCC1 7687AE [0,0,0,1,0,0|3,0,0]=4 100 B8R1.8 CNCC1CCCC1 8911AH [0,0,0,1,0,0|3,0,0]=4 101 B8R1.8 CNCC1CCOC1 8650AE [0,0,0,1,0,0|2,0,0]=3 102 B8R1.8 COC[C@@H]1CCNC1 8987AH [0,0,0,1,0,0|3,0,0]=4 103 B8R1.8 COC[C@H]1CCNC1 9152AH [0,0,0,1,0,0|3,0,0]=4 104 B8R1.8 ClCCN1CCCC1 6952AB [0,0,0,1,0,0|3,0,0]=4 105 B8R1.8 NCCC1OCCO1 8480AB [0,0,0,1,0,0|2,1,0]=4 106 B8R1.8 O=CCC1CCCC1 8225AB [0,0,0,1,0,0|1,0,2]=4 107 B8R1.8 OCCC1CCNC1 1286AJ [0,0,0,1,0,0|2,0,0]=3 108 B8R1.8 OCCN1CCCC1 3251AB [0,0,0,1,0,0|2,0,0]=3 109 B8R1.11 C#CC1CCCC1O 5544AJ [0,0,0,1,0,0|1,1,1]=4 110 B8R1.11 CN1CCCC1CCl 1254AJ [0,0,0,1,0,0|3,0,0]=4 111 B8R1.11 CN1CCCC1CN X2049 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.11 CN1CCC[C@H]1CN 0204AC [0,0,0,1,0,0|3,0,0]=4 113 B8R1.11 C[C@H]1CNC[C@@H]1CO Z5382 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.11 NC1CCCC1CO 6199AB [0,0,0,1,0,0|1,0,0]=2 115 B8R1.11 N[C@H]1CCC[C@H]1CO 5457AB [0,0,0,1,0,0|1,0,0]=2 116 B8R1.11 O=C1CCCN1CO 7398AF [0,0,0,1,0,0|1,1,1]=4 117 B8R1.11 OCC1CCCC1O 0756AC [0,0,0,1,0,0|0,1,0]=2 118 B8R1.22 CC1CCNCCN1 W4646 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.22 ClC1CCCCCC1 1856AB [0,0,0,1,0,0|2,0,0]=3 120 B8R1.22 NC1CCCCNC1 3820AJ [0,0,0,1,0,0|3,0,0]=4 121 B8R1.22 NN1CCCCCC1 4752AL [0,0,0,1,0,0|3,0,0]=4 122 B8R1.22 N[C@H]1CCCCNC1 1604AA [0,0,0,1,0,0|3,0,0]=4 123 B8R1.22 O=C1CCCNCC1 X2001 [0,0,0,1,0,0|1,1,1]=4 124 B8R1.22 O=C1CCOCCO1 4654AL [0,0,0,1,0,0|1,1,1]=4 125 B8R1.37 CCOC(=O)[C@H]1CO1 3304AL [0,0,0,1,0,0|1,1,1]=4 126 B8R1.66 C#CCC1(O)CCC1 4774AB [0,0,0,1,0,0|1,1,1]=4 127 B8R1.66 COCC1(N)CCC1 9528AH [0,0,0,1,0,0|3,0,0]=4 128 B5R0.1 CC(C)CCCl 7326AF [2,0,0,0,0,0|2,0,0]=4 129 B5R0.1 CCOC(C)C 7879AL [2,0,0,0,0,0|2,0,0]=4 130 B5R0.1 CCSC(C)C 7880AL [2,0,0,0,0,0|2,0,0]=4 131 B5R0.1 CNCC(C)C 8603AL [2,0,0,0,0,0|2,0,0]=4 132 B5R0.1 CNCC(C)O 5343AD [2,0,0,0,0,0|1,1,0]=4 133 B5R0.1 COCC(C)N 0442AC [2,0,0,0,0,0|2,0,0]=4 134 B5R0.1 COC[C@H](C)O W4988 [2,0,0,0,0,0|1,1,0]=4 135 B5R0.1 C[C@H](N)CCO 3502AC [2,0,0,0,0,0|1,0,0]=3 136 B5R0.2 CC#CCCO 6150AL [2,0,0,0,0,0|0,0,2]=4 137 B5R0.2 CCCCOC 7303AL [2,0,0,0,0,0|1,0,0]=3 138 B5R0.2 CCCNCC 8554AL [2,0,0,0,0,0|1,0,0]=3 139 B5R0.2 CCCOCC 7892AL [2,0,0,0,0,0|1,0,0]=3 140 B5R0.2 CCCOCCl 4494AB [2,0,0,0,0,0|2,0,0]=4 141 B5R0.2 CCCSCC R576 [2,0,0,0,0,0|1,0,0]=3 142 B5R0.2 CCOCCCl 7903AJ [2,0,0,0,0,0|2,0,0]=4 143 B5R0.2 CCOCCN 3903AD [2,0,0,0,0,0|2,0,0]=4 144 B5R0.2 CC[Se][Se]CC 7651AL [2,0,0,0,0,0|2,0,0]=4 145 B5R0.2 CNCCSC 7146AJ [2,0,0,0,0,0|2,0,0]=4 146 B5R0.2 COCCCI 9890AH [2,0,0,0,0,0|2,0,0]=4 147 B5R0.3 CCC(=O)CO X5132 [2,0,0,0,0,0|0,1,1]=4 148 B5R0.3 CCC(C)CCl U282 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.3 CCC(C)CS U578 [2,0,0,0,0,0|1,1,0]=4 150 B5R0.3 CCC(O)CBr 4766AL [2,0,0,0,0,0|1,1,0]=4 151 B5R0.3 CCC(S)CS 4441AL [2,0,0,0,0,0|0,1,0]=3 152 B5R0.3 CN[C@@H](C)CO X7940 [2,0,0,0,0,0|2,0,0]=4 153 B5R0.3 OC[C@@H](O)CF 1216AL [2,0,0,0,0,0|1,1,0]=4 154 B7R0.2 C=C(C)CC(C)CC 5312AL [1,1,0,0,0,0|1,0,1]=4 155 B7R0.2 CCC(C)CC(C)C 5322AL [1,1,0,0,0,0|1,0,0]=3 156 B7R0.2 CCC(N)CC(=O)O W4035 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.2 COC(C)CC(C)O 5636AH [1,1,0,0,0,0|2,0,0]=4 158 B7R0.3 C=C(CC)CCCC 5608AL [1,1,0,0,0,0|1,0,1]=4 159 B7R0.3 CC#CCC(O)CC 6775AL [1,1,0,0,0,0|0,1,1]=4 160 B7R0.3 CCC(Cl)CCCCl 4475AE [1,1,0,0,0,0|1,0,0]=3 161 B7R0.3 CCCCC(C)CC 6251AE [1,1,0,0,0,0|1,0,0]=3 162 B7R0.3 CCCCC(O)CC 8762AB [1,1,0,0,0,0|0,1,0]=3 163 B7R0.3 CCCNC(C)CC 2356AE [1,1,0,0,0,0|1,0,0]=3 164 B7R0.3 CCC\C=C(/C)CC 6104AL [1,1,0,0,0,0|1,0,1]=4 165 B7R0.3 CCN(C)CCCO 4272AE [1,1,0,0,0,0|2,0,0]=4 166 B7R0.3 CCOCC(N)CC 8270AE [1,1,0,0,0,0|1,0,0]=3 167 B7R0.5 CC(C)C(N)CCO 5799AJ [1,1,0,0,0,0|1,0,0]=3 168 B7R0.5 CC(C)N(C)CCO 2902AB [1,1,0,0,0,0|2,0,0]=4 169 B7R0.5 CC(CCO)N(C)C 9228AD [1,1,0,0,0,0|2,0,0]=4 170 B7R0.5 CCCC(=O)C(C)C 5712AL [1,1,0,0,0,0|0,1,1]=4 171 B7R0.5 CCCC(O)C(C)C 5711AL [1,1,0,0,0,0|0,1,0]=3 172 B7R0.5 COCC(N)C(C)C 9904AH [1,1,0,0,0,0|2,0,0]=4 173 B7R0.10 CCC(=O)C(O)CC 8871AL [1,1,0,0,0,0|0,1,1]=4 174 B7R0.10 CCC(C)C(C)CC 5907AL [1,1,0,0,0,0|1,0,0]=3 175 B7R0.10 OC[C@H](O)[C@@H](O)CO 8162AL [1,1,0,0,0,0|1,1,0]=4 176 B7R0.11 CCOC(C)(C)CC 9029AL [1,1,0,0,0,0|2,0,0]=4 177 B7R0.11 CNCC(C)(C)CO 8093AA [1,1,0,0,0,0|2,0,0]=4 178 B7R0.11 COCC(C)(C)CO Y5474 [1,1,0,0,0,0|2,0,0]=4 179 B7R0.12 CCNC(CC)CC 2358AE [1,1,0,0,0,0|2,0,0]=4 180 B7R0.12 CCN[C@@H](CC)CO 2889AC [1,1,0,0,0,0|1,1,0]=4 181 B7R0.1 C#CCNCCCC 3830AE [1,1,0,0,0,0|1,0,1]=4 182 B7R0.1 C=CCCCCCCl 5718AC [1,1,0,0,0,0|1,0,1]=4 183 B7R0.1 C=CCCCCCO 6859AL [1,1,0,0,0,0|0,0,1]=3 184 B7R0.1 C=CCCCCNC 8160AB [1,1,0,0,0,0|1,0,1]=4 185 B7R0.1 C=CCOCCCC 7029AL [1,1,0,0,0,0|1,0,1]=4 186 B7R0.1 CCC#CCCCC 7931AF [1,1,0,0,0,0|1,0,1]=4 187 B7R0.1 CCCCCC[Mg]Br 8700AJ [1,1,0,0,0,0|1,0,0]=3 188 B7R0.1 CCCCOCCCl 5574AL [1,1,0,0,0,0|1,0,0]=3 189 B7R0.1 CCCCOCCN 7133AE [1,1,0,0,0,0|1,0,0]=3 190 B7R0.1 CCCC\C=C\CO 9204AL [1,1,0,0,0,0|0,0,1]=3 191 B7R0.1 CCCNCCCO 2264AL [1,1,0,0,0,0|0,0,0]=2 192 B7R0.1 CCCNCCOC X4577 [1,1,0,0,0,0|1,0,0]=3 193 B7R0.1 CCNCCOCC 2091AE [1,1,0,0,0,0|2,0,0]=4 194 B7R0.1 CC\C=C\CCCC 9221AL [1,1,0,0,0,0|1,0,1]=4 195 B7R0.1 CNCCCCOC AMTGC537 [1,1,0,0,0,0|1,0,0]=3 196 B7R0.1 COCCOCCCl AMTGC469 [1,1,0,0,0,0|2,0,0]=4 197 B7R0.1 COCCOCCS 1037AQ [1,1,0,0,0,0|1,1,0]=4 198 B7R0.1 C\C=C/CCCCC 7427AL [1,1,0,0,0,0|1,0,1]=4 199 B7R0.1 C\C=C\CCCCC 7960AF [1,1,0,0,0,0|1,0,1]=4 200 B7R0.1 N#CCCCCCN 7503AF [1,1,0,0,0,0|1,0,1]=4 201 B7R0.1 N#CCCSCCO 4958AD [1,1,0,0,0,0|1,0,1]=4 202 B7R0.1 O=CCCCCCCl Y9332 [1,1,0,0,0,0|0,0,2]=4 203 B7R0.1 OCCCNCCO 2316AL [1,1,0,0,0,0|1,0,0]=3 204 B7R0.1 OCC\C=C\CCO 0001AQ [1,1,0,0,0,0|0,0,2]=4 205 B7R0.4 C=C(C)CCCCC 5698AL [1,1,0,0,0,0|1,0,1]=4 206 B7R0.4 CC(=O)NCCCO 8280AC [1,1,0,0,0,0|1,0,1]=4 207 B7R0.4 CC(C)CCCCO 6988AE [1,1,0,0,0,0|0,0,0]=2 208 B7R0.4 CC(C)COCCN 0042AD [1,1,0,0,0,0|2,0,0]=4 209 B7R0.4 CC(C)CSCCO 5051AL [1,1,0,0,0,0|1,0,0]=3 210 B7R0.4 CC(C)OCCCCl U192 [1,1,0,0,0,0|2,0,0]=4 211 B7R0.4 CC(C)OCCCO 9315AD [1,1,0,0,0,0|1,0,0]=3 212 B7R0.4 CC(O)CNCCO 7542AE [1,1,0,0,0,0|1,0,0]=3 213 B7R0.4 CCCCCC(C)C 5733AL [1,1,0,0,0,0|1,0,0]=3 214 B7R0.4 CCCCCC(C)Cl 5577AL [1,1,0,0,0,0|1,0,0]=3 215 B7R0.4 CCCCNC(C)C 2334AE [1,1,0,0,0,0|2,0,0]=4 216 B7R0.4 CCCCOC(Cl)Cl 7617AL [1,1,0,0,0,0|2,0,0]=4 217 B7R0.4 CCCSCC(=O)O 6980AD [1,1,0,0,0,0|1,0,1]=4 218 B7R0.4 CN(C)CCCCN 1354AE [1,1,0,0,0,0|2,0,0]=4 219 B7R0.4 CNCCCC(=O)O 2115AA [1,1,0,0,0,0|1,0,1]=4 220 B9R0.5 CCCCCC(C)CCC 6610AL [0,2,0,0,0,0|2,0,0]=4 221 B9R0.18 CCOCC(O)COCC 5445AB [0,2,0,0,0,0|1,1,0]=4 222 B9R0.34 CCCC(C)CC(C)CC 5939AL [0,2,0,0,0,0|2,0,0]=4 223 B9R0.48 CCCC(C)CCC(C)=O 6799AL [0,2,0,0,0,0|1,0,1]=4 224 B9R0.23 CCC(C)C(N)CC(=O)O 2728AE [0,2,0,0,0,0|1,0,1]=4 225 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 5270AC [0,2,0,0,0,0|1,0,1]=4 226 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 5354AA [0,2,0,0,0,0|1,0,1]=4 227 B9R0.58 CCCC(C)(O)CC(=O)O 8750AB [0,2,0,0,0,0|0,1,1]=4 228 B7R1.1 BrCC1CCCN1 6324AA [1,0,0,1,0,0|2,0,0]=4 229 B7R1.1 BrCC1CCOC1 8390AA [1,0,0,1,0,0|2,0,0]=4 230 B7R1.1 CCC1CCCC1 7901AL [1,0,0,1,0,0|1,0,0]=3 231 B7R1.1 CCC1CCCN1 7143AC [1,0,0,1,0,0|1,0,0]=3 232 B7R1.1 CCC1CCNC1 9496AE [1,0,0,1,0,0|2,0,0]=4 233 B7R1.1 CCN1CCCC1 8555AL [1,0,0,1,0,0|2,0,0]=4 234 B7R1.1 CN[C@@H]1CCOC1 2045AJ [1,0,0,1,0,0|2,0,0]=4 235 B7R1.1 CN[C@@H]1CCOC1 9048AH [1,0,0,1,0,0|2,0,0]=4 236 B7R1.1 CN[C@H]1CCOC1 2048AJ [1,0,0,1,0,0|2,0,0]=4 237 B7R1.1 ClCC1CCCC1 Z6552 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.1 ClCC1CCOC1 2028AJ [1,0,0,1,0,0|2,0,0]=4 239 B7R1.1 ClC[C@@H]1CCCN1 4318AB [1,0,0,1,0,0|2,0,0]=4 240 B7R1.1 ClC[C@@H]1CCCN1 9398AA [1,0,0,1,0,0|2,0,0]=4 241 B7R1.1 ICC1CCCC1 Y8539 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.1 NCC1CCCC1 3974AJ [1,0,0,1,0,0|2,0,0]=4 243 B7R1.1 NC[C@@H]1CCCN1 O008 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.1 NC[C@@H]1CCCO1 Z5557 [1,0,0,1,0,0|1,1,0]=4 245 B7R1.1 NC[C@H]1CCCN1 1217AC [1,0,0,1,0,0|2,0,0]=4 246 B7R1.1 NC[C@H]1CCCN1 Z3950 [1,0,0,1,0,0|2,0,0]=4 247 B7R1.1 OCC1CCNC1 W6601 [1,0,0,1,0,0|2,0,0]=4 248 B7R1.1 OCC1CCNC1 W7609 [1,0,0,1,0,0|2,0,0]=4 249 B7R1.1 OC[C@@H]1CCNC1 4311AA [1,0,0,1,0,0|2,0,0]=4 250 B7R1.1 OC[C@@H]1CCOC1 3014AD [1,0,0,1,0,0|2,0,0]=4 251 B7R1.1 OC[C@H]1CCOC1 3025AD [1,0,0,1,0,0|2,0,0]=4 252 B7R1.2 CN1CCC(Br)C1 1332AA [1,0,0,1,0,0|2,0,0]=4 253 B7R1.2 CN1CCC(N)C1 X9823 [1,0,0,1,0,0|2,0,0]=4 254 B7R1.2 CN1CC[C@@H](N)C1 8951AH [1,0,0,1,0,0|2,0,0]=4 255 B7R1.2 CN1CC[C@H](N)C1 Y4288 [1,0,0,1,0,0|2,0,0]=4 256 B7R1.2 C[C@H]1CC[C@H](C)N1 8587AH [1,0,0,1,0,0|2,0,0]=4 257 B7R1.2 N[C@H]1CC[C@@H](O)C1 2029AA [1,0,0,1,0,0|1,0,0]=3 258 B7R1.3 BrC1CCCOC1 X9769 [1,0,0,1,0,0|1,0,0]=3 259 B7R1.3 CC1CCCCN1 7117AB [1,0,0,1,0,0|2,0,0]=4 260 B7R1.3 CC1CCOCO1 8171AJ [1,0,0,1,0,0|2,0,0]=4 261 B7R1.3 ClN1CCOCC1 X5216 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.3 FC1CCCCC1 1850AE [1,0,0,1,0,0|1,0,0]=3 263 B7R1.3 IC1CCNCC1 Z9919 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.3 IC1CCOCC1 W4893 [1,0,0,1,0,0|1,0,0]=3 265 B7R1.3 NC1CCCOC1 X9447 [1,0,0,1,0,0|1,0,0]=3 266 B7R1.3 N[C@H]1CCCNC1 Y4134 [1,0,0,1,0,0|2,0,0]=4 267 B7R1.4 BrC1CCCC1Br 3089AB [1,0,0,1,0,0|2,0,0]=4 268 B7R1.4 CC1CCCC1N 5365AE [1,0,0,1,0,0|1,0,0]=3 269 B7R1.4 C[C@@H]1CCC[C@@H]1O 3213AL [1,0,0,1,0,0|0,1,0]=3 270 B7R1.4 ClC1CCOC1Cl 5221AL [1,0,0,1,0,0|2,0,0]=4 271 B7R1.4 NC1COCC1O 5780AA [1,0,0,1,0,0|2,0,0]=4 272 B7R1.4 NC1CSCC1O 0027AD [1,0,0,1,0,0|2,0,0]=4 273 B7R1.4 N[C@@H]1COC[C@H]1O 8700AH [1,0,0,1,0,0|2,0,0]=4 274 B7R1.4 N[C@H]1COC[C@@H]1O 4688AJ [1,0,0,1,0,0|2,0,0]=4 275 B7R1.4 N[C@H]1COC[C@@H]1O 8683AH [1,0,0,1,0,0|2,0,0]=4 276 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [1,0,0,1,0,0|0,1,0]=3 277 B7R1.4 O[C@H]1CNC[C@@H]1O Z4539 [1,0,0,1,0,0|1,1,0]=4 278 B7R1.6 CNCC1CCC1 3149AD [1,0,0,1,0,0|2,0,0]=4 279 B7R1.6 OCCC1COC1 1983AB [1,0,0,1,0,0|2,0,0]=4 280 B7R1.6 OCCN1CCC1 0462AC [1,0,0,1,0,0|2,0,0]=4 281 B7R1.10 CCN1CC(O)C1 2284AJ [1,0,0,1,0,0|2,0,0]=4 282 B7R1.10 NCC1CC(O)C1 3176AF [1,0,0,1,0,0|2,0,0]=4 283 B7R1.22 CCC(N)C1CC1 7479AD [1,0,0,1,0,0|1,0,0]=3 284 B7R1.22 NC(CO)C1CC1 HTS033190 [1,0,0,1,0,0|1,0,0]=3 285 B7R1.25 CC1(CO)CSC1 5905AE [1,0,0,1,0,0|2,0,0]=4 286 B7R1.25 NC1(CO)CCC1 9457AA [1,0,0,1,0,0|1,0,0]=3 287 B7R1.25 NCC1(O)CCC1 HTS033072 [1,0,0,1,0,0|1,1,0]=4 288 B7R1.7 CCNCC1CC1 8749AD [1,0,0,1,0,0|2,0,0]=4 289 B7R1.7 CCOCC1CO1 7875AL [1,0,0,1,0,0|1,0,0]=3 290 B7R1.7 ClCCOC1CC1 Y8014 [1,0,0,1,0,0|2,0,0]=4 291 B7R1.7 OCCNC1CC1 V5433 [1,0,0,1,0,0|1,0,0]=3 292 B7R1.24 C1=CCCCCC1 7508AL [1,0,0,1,0,0|1,0,1]=4 293 B9R1.2 CCC1CCCC(C)C1 4845AL [0,1,0,1,0,0|2,0,0]=4 294 B9R1.2 CCC1CCCC(O)C1 5870AJ [0,1,0,1,0,0|1,0,0]=3 295 B9R1.2 CN1CCC[C@H](CO)C1 2962AH [0,1,0,1,0,0|2,0,0]=4 296 B9R1.2 CN1CCOC(CN)C1 W3090 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.2 COC1CCCC(=O)C1 2324AJ [0,1,0,1,0,0|0,1,1]=4 298 B9R1.2 O=C1CCCC(CO)C1 3736AB [0,1,0,1,0,0|0,1,1]=4 299 B9R1.2 O=C1CCCC(CO)N1 3344AJ [0,1,0,1,0,0|0,1,1]=4 300 B9R1.2 O=C1CCC[C@@H](CO)N1 5437AA [0,1,0,1,0,0|0,1,1]=4 301 B9R1.7 CN1CCC(CCN)C1 2130AC [0,1,0,1,0,0|2,0,0]=4 302 B9R1.8 CCCC1CCCCC1 8884AL [0,1,0,1,0,0|2,0,0]=4 303 B9R1.8 CCCC1CCCNC1 3949AD [0,1,0,1,0,0|2,0,0]=4 304 B9R1.8 CNCC1CCOCC1 Y9118 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.8 CNCC1COCCO1 8753AD [0,1,0,1,0,0|2,0,0]=4 306 B9R1.8 COCC1COCCN1 6470AC [0,1,0,1,0,0|2,0,0]=4 307 B9R1.8 ClCCC1CCCCC1 1553AA [0,1,0,1,0,0|2,0,0]=4 308 B9R1.8 FCCC1CCCNC1 1487AD [0,1,0,1,0,0|2,0,0]=4 309 B9R1.8 NCCC1CCCCO1 W6097 [0,1,0,1,0,0|1,1,0]=4 310 B9R1.8 NCCC1CCCNC1 2630AF [0,1,0,1,0,0|2,0,0]=4 311 B9R1.8 NCCC1CCCOC1 4614AF [0,1,0,1,0,0|1,1,0]=4 312 B9R1.8 NCCC1CCNCC1 1826AC [0,1,0,1,0,0|2,0,0]=4 313 B9R1.8 NCCC1CCNCC1 4951AC [0,1,0,1,0,0|2,0,0]=4 314 B9R1.8 OCCC1CCOCC1 W6406 [0,1,0,1,0,0|1,0,0]=3 315 B9R1.8 OCCC1CNCCN1 W5547 [0,1,0,1,0,0|1,0,0]=3 316 B9R1.8 OCC[C@@H]1CCCCN1 0871AA [0,1,0,1,0,0|1,0,0]=3 317 B9R1.8 OCC[C@@H]1CCCCN1 W8464 [0,1,0,1,0,0|1,0,0]=3 318 B9R1.8 OCC[C@H]1CCCCN1 0559AC [0,1,0,1,0,0|1,0,0]=3 319 B9R1.8 OCC[C@H]1CNCCN1 Z4018 [0,1,0,1,0,0|1,0,0]=3 320 B9R1.9 NCCCN1CC(O)C1 1673AD [0,1,0,1,0,0|2,0,0]=4 321 B9R1.12 CCCOC1CCNC1 6253AC [0,1,0,1,0,0|2,0,0]=4 322 B9R1.12 CCCO[C@@H]1CCNC1 9006AH [0,1,0,1,0,0|2,0,0]=4 323 B9R1.12 CCCO[C@H]1CCNC1 9175AH [0,1,0,1,0,0|2,0,0]=4 324 B9R1.12 CCNCC1CCCO1 8649AE [0,1,0,1,0,0|1,1,0]=4 325 B9R1.12 CCOCC1CCCN1 1661AF [0,1,0,1,0,0|2,0,0]=4 326 B9R1.12 CCOCC1CCNC1 0320AD [0,1,0,1,0,0|2,0,0]=4 327 B9R1.12 NCCCC1CCOC1 0274AD [0,1,0,1,0,0|1,0,0]=3 328 B9R1.12 NCCCC1CCOC1 2051AJ [0,1,0,1,0,0|1,0,0]=3 329 B9R1.12 NCCOC1CCCC1 5277AJ [0,1,0,1,0,0|2,0,0]=4 330 B9R1.12 NCCOC1CCCC1 5278AJ [0,1,0,1,0,0|2,0,0]=4 331 B9R1.12 OCCOC1CCCC1 V3255 [0,1,0,1,0,0|1,0,0]=3 332 B9R1.15 CCC1CCCCC1C 4843AL [0,1,0,1,0,0|2,0,0]=4 333 B9R1.15 CCC1CCCCC1O 5619AL [0,1,0,1,0,0|1,1,0]=4 334 B9R1.15 CCC1COCCC1=O 2269AJ [0,1,0,1,0,0|0,1,1]=4 335 B9R1.15 CN1CCCC[C@H]1CO 6422AA [0,1,0,1,0,0|2,0,0]=4 336 B9R1.33 CN1CCC[C@@H]1CCO 8955AH [0,1,0,1,0,0|1,0,0]=3 337 B9R1.33 COC[C@@H]1CCCN1N O025 [0,1,0,1,0,0|2,0,0]=4 338 B9R1.49 CN1CCCC(N)CC1 3590AF [0,1,0,1,0,0|2,0,0]=4 339 B9R1.50 NC1CCCCCCC1 7979AF [0,1,0,1,0,0|2,0,0]=4 340 B9R1.69 CC1CC(=O)CCC1O 4918AC [0,1,0,1,0,0|0,1,1]=4 341 B9R1.69 CC1CC(N)CCN1C 5009AJ [0,1,0,1,0,0|2,0,0]=4 342 B9R1.69 CC1CCC(C)C(C)C1 4409AL [0,1,0,1,0,0|2,0,0]=4 343 B9R1.134 NCCC1(O)CCCC1 3403AC [0,1,0,1,0,0|1,1,0]=4 344 B9R1.3 OC1CCCC(O)C1O 4399AL [0,1,0,1,0,0|0,1,0]=3 345 B9R1.11 NC(CO)C1CCOC1 5422AJ [0,1,0,1,0,0|2,0,0]=4 346 B9R1.132 OC[C@H]1NC[C@@H](O)[C@H]1O 7305AC [0,1,0,1,0,0|1,1,0]=4 347 B9R1.132 OC[C@H]1NC[C@H](O)[C@@H]1O 0011AD [0,1,0,1,0,0|1,1,0]=4 348 B9R1.132 OC[C@H]1OC[C@H](O)[C@H]1O 4596AL [0,1,0,1,0,0|1,1,0]=4 349 B9R1.13 CC(C)CC1CCNC1 4475AF [0,1,0,1,0,0|2,0,0]=4 350 B9R1.13 CC(O)CN1CCCC1 AMTGC581 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.13 O=C(O)CC1CCCN1 8327AB [0,1,0,1,0,0|1,0,1]=4 352 B9R1.13 O=C(O)CC1CCCO1 1796AB [0,1,0,1,0,0|0,1,1]=4 353 B9R1.34 CC1CC(=O)CC(C)O1 1555AA [0,1,0,1,0,0|0,1,1]=4 354 B9R1.34 CC1CC(C)CC(C)C1 4493AL [0,1,0,1,0,0|2,0,0]=4 355 B9R1.34 CC1CC(O)CC(C)O1 0633AE [0,1,0,1,0,0|0,1,0]=3 356 B9R1.34 O[C@H]1C[C@@H](O)C[C@@H](O)C1 3978AL [0,1,0,1,0,0|0,1,0]=3 357 B9R1.34 O[C@H]1C[C@@H](O)C[C@@H](O)C1 7400AL [0,1,0,1,0,0|0,1,0]=3 358 B9R1.41 NC1CCCC1C(=O)O 3422AA [0,1,0,1,0,0|1,0,1]=4 359 B9R1.66 CC1(C)CC(N)CCO1 1321AJ [0,1,0,1,0,0|1,0,0]=3 360 B9R1.66 CC1(C)CC(N)CCO1 Z4507 [0,1,0,1,0,0|1,0,0]=3 361 B9R1.66 CC1(C)CCCC(N)C1 2063AJ [0,1,0,1,0,0|2,0,0]=4 362 B9R1.14 CCN1CCCC1CO 4114AB [0,1,0,1,0,0|2,0,0]=4 363 B9R1.89 NNC1CCCCCC1 Y4105 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.89 [C-]#[N+]C1CCCCCC1 Z9758 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.148 CC1(O)CCCNCC1 2886AJ [0,1,0,1,0,0|1,1,0]=4 366 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 3675AA [0,0,0,2,0,0|2,0,0]=4 367 B9R2.39 [C@@H]12CC[C@@H](C[C@@H]1Br)C2 3427AL [0,0,0,2,0,0|2,0,0]=4 368 B9R2.68 C1CC2CCC(C1)N2 3752AJ [0,0,0,2,0,0|2,0,0]=4 369 B9R2.68 [C@H]12CCC[C@H](C1)NC2 9843AJ [0,0,0,2,0,0|2,0,0]=4 370 B9R2.138 OC1CC2(CNC2)C1 4809AA [0,0,0,2,0,0|2,0,0]=4 371 B9R2.3 C1NCC2COCC12 6825AJ [0,0,0,2,0,0|2,0,0]=4 372 B9R2.3 [C@H]12CCC[C@H]1CNC2 7287AA [0,0,0,2,0,0|2,0,0]=4 373 B9R2.65 [C@@H]12CNC[C@@H]1[C@H]2CO 6216AA [0,0,0,2,0,0|2,0,0]=4 374 B9R2.173 C1CC2(C1)CCNC2 3428AJ [0,0,0,2,0,0|2,0,0]=4 375 B9R2.173 C1CC2(CNC2)CO1 5607AB [0,0,0,2,0,0|2,0,0]=4 376 B9R2.173 C1CCC2(C1)CCN2 9678AH [0,0,0,2,0,0|2,0,0]=4 377 B9R2.24 C12CCC(CC1)C2Br 3754AD [0,0,0,2,0,0|2,0,0]=4