0 B8R0.1 CCCCC(=O)CCC 8758AB [0,0,0,0,0,0|1,0,0]=1 1 B8R0.1 CCCCC(Br)CCC 7975AF [0,0,0,0,0,0|2,0,1]=3 2 B8R0.1 CCCCN(C)CCN 4806AD [0,0,0,0,0,0|4,0,0]=4 3 B8R0.1 CCCNC(=O)CCN 2039AD [0,0,0,0,0,0|3,0,0]=3 4 B8R0.1 CCCNC(=O)CNC 2661AF [0,0,0,0,0,0|3,0,0]=3 5 B8R0.1 CCCNC(=O)CNC 8106AC [0,0,0,0,0,0|3,0,0]=3 6 B8R0.1 CCOC(=O)CCOC 6085AL [0,0,0,0,0,0|1,0,0]=1 7 B8R0.1 CCOC(=O)\C=C/C#N 5510AB [0,0,0,0,0,0|1,0,3]=4 8 B8R0.1 CNCC(=O)NCCO 2049AD [0,0,0,0,0,0|4,0,0]=4 9 B8R0.1 COCCC(=O)CC#N 3252AJ [0,0,0,0,0,0|3,0,1]=4 10 B8R0.1 C\C=C\C(=O)CCCC 5771AL [0,0,0,0,0,0|1,0,1]=2 11 B8R0.1 NCCC(=O)NCCO 2327AD [0,0,0,0,0,0|4,0,0]=4 12 B7R0.1 CCC#CCCCC 7931AF [1,0,0,0,0,0|1,0,1]=3 13 B7R0.1 CCCCOCCCl 5574AL [1,0,0,0,0,0|3,0,0]=4 14 B7R0.1 CCCCOCCN 7133AE [1,0,0,0,0,0|3,0,0]=4 15 B7R0.1 CCCC\C=C\CO 9204AL [1,0,0,0,0,0|2,0,0]=3 16 B7R0.1 CCNCCOCC 2091AE [1,0,0,0,0,0|1,0,1]=3 17 B7R0.1 CC\C=C\CCCC 9221AL [1,0,0,0,0,0|1,0,0]=2 18 B7R0.1 C\C=C/CCCCC 7427AL [1,0,0,0,0,0|1,0,2]=4 19 B7R0.1 C\C=C\CCCCC 7960AF [1,0,0,0,0,0|1,0,2]=4 20 B7R0.3 C=C(CC)CCCC 5608AL [1,0,0,0,0,0|1,0,0]=2 21 B7R0.3 C=CC(=O)NCCC 3769AL [1,0,0,0,0,0|1,0,2]=4 22 B7R0.3 C=CCCC(=O)OC 0026AQ [1,0,0,0,0,0|0,0,2]=3 23 B7R0.3 CCC(=O)NCCN 3366AF [1,0,0,0,0,0|2,0,0]=3 24 B7R0.3 CCC(=O)NCCO 8325AL [1,0,0,0,0,0|2,0,0]=3 25 B7R0.3 CCC(Cl)CCCCl 4475AE [1,0,0,0,0,0|2,0,1]=4 26 B7R0.3 CCCCC(C)CC 6251AE [1,0,0,0,0,0|1,0,1]=3 27 B7R0.3 CCCCC(O)CC 8762AB [1,0,0,0,0,0|0,0,2]=3 28 B7R0.3 CCCC[C@H](N)CO 7337AH [1,0,0,0,0,0|2,0,1]=4 29 B7R0.3 CCC\C=C(/C)CC 6104AL [1,0,0,0,0,0|1,0,1]=3 30 B7R0.3 CCN(C)CCCO 4272AE [1,0,0,0,0,0|3,0,0]=4 31 B7R0.3 CCNCC(=O)OC 2143AA [1,0,0,0,0,0|1,0,0]=2 32 B7R0.3 CCNCC(=O)OC 2988AC [1,0,0,0,0,0|1,0,0]=2 33 B7R0.3 CCOCC(=O)NN 2388AE [1,0,0,0,0,0|3,0,0]=4 34 B7R0.3 CCOCC(N)CC 8270AE [1,0,0,0,0,0|2,0,1]=4 35 B7R0.3 CC[C@H](C)CCCO 4203AL [1,0,0,0,0,0|2,0,1]=4 36 B7R0.3 CNC(=O)CCCN 5583AD [1,0,0,0,0,0|2,0,0]=3 37 B7R0.3 CNCCC(=O)NC 4515AE [1,0,0,0,0,0|2,0,0]=3 38 B7R0.3 CNCCC(=O)NC 5845AE [1,0,0,0,0,0|2,0,0]=3 39 B7R0.3 CNCCC(=O)OC 1857AB [1,0,0,0,0,0|1,0,0]=2 40 B7R0.3 CNCCC(=O)OC X3419 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.3 COC(=N)CCCCl 2164AC [1,0,0,0,0,0|2,0,0]=3 42 B7R0.3 COC(=O)C#CCO 3414AB [1,0,0,0,0,0|1,0,2]=4 43 B7R0.3 COC(=O)CCC=O W3030 [1,0,0,0,0,0|1,0,1]=3 44 B7R0.3 COC(=O)CCCS X9990 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.3 CO\C=C\C(=O)OC W5649 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.3 C\C=C\CC(=O)OC 9761AJ [1,0,0,0,0,0|0,0,2]=3 47 B7R0.3 NCC(=O)NCCO 0947AF [1,0,0,0,0,0|3,0,0]=4 48 B7R0.7 C=C=CC(=O)OCC 4330AD [1,0,0,0,0,0|0,0,3]=4 49 B7R0.7 C=CCC(=O)OCC X3652 [1,0,0,0,0,0|0,0,2]=3 50 B7R0.7 CCCN(C)CCC 0883AE [1,0,0,0,0,0|3,0,0]=4 51 B7R0.7 CCNC(=O)CCN 1836AD [1,0,0,0,0,0|2,0,0]=3 52 B7R0.7 CCOC(=N)CCCl 7257AD [1,0,0,0,0,0|2,0,0]=3 53 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [1,0,0,0,0,0|1,0,2]=4 54 B7R0.7 CCOC(=O)\C=C/I 7873AL [1,0,0,0,0,0|1,0,2]=4 55 B7R0.7 CCOS(=O)OCC 7113AF [1,0,0,0,0,0|2,0,0]=3 56 B9R0.4 CCCCC(=O)CC(C)C 1651AC [0,1,0,0,0,0|1,0,0]=2 57 B9R0.4 CCCOC(=O)\C=C(\C)N 2141AJ [0,1,0,0,0,0|2,0,1]=4 58 B9R0.5 C=CCCCC(=O)OCC 5392AE [0,1,0,0,0,0|0,0,1]=2 59 B9R0.5 CCCCCC(C)CCC 6610AL [0,1,0,0,0,0|2,0,1]=4 60 B9R0.5 CCCCNC(=O)CCN 2211AD [0,1,0,0,0,0|2,0,0]=3 61 B9R0.5 CCCCNC(=O)CNC 8713AD [0,1,0,0,0,0|2,0,0]=3 62 B9R0.5 CCCNCC(=O)OCC 0138AP [0,1,0,0,0,0|0,0,0]=1 63 B9R0.5 CCOC(=O)CNCCN V4614 [0,1,0,0,0,0|1,0,0]=2 64 B9R0.5 CCOC(=O)N\N=C\CBr 6834AE [0,1,0,0,0,0|2,0,1]=4 65 B9R0.5 CNCC(=O)NCCCO 1886AD [0,1,0,0,0,0|3,0,0]=4 66 B9R0.5 CNCC(=O)NCCOC V3320 [0,1,0,0,0,0|3,0,0]=4 67 B9R0.5 NCCC(=O)NCCCO 2230AD [0,1,0,0,0,0|3,0,0]=4 68 B9R0.18 CCCCN(C)CCCC 0884AE [0,1,0,0,0,0|3,0,0]=4 69 B9R0.18 CCOCC(O)COCC 5445AB [0,1,0,0,0,0|1,0,2]=4 70 B9R0.18 O=C(OCCCl)OCCCl 7328AL [0,1,0,0,0,0|2,0,0]=3 71 B9R0.34 CCC(C)NC(=O)CNC 1462AD [0,1,0,0,0,0|3,0,0]=4 72 B9R0.34 CCCC(=O)OC(C)CC 8954AL [0,1,0,0,0,0|2,0,0]=3 73 B9R0.34 CCCC(C)CC(C)CC 5939AL [0,1,0,0,0,0|2,0,1]=4 74 B9R0.34 CCOC(=O)C[C@H](O)CBr 6466AC [0,1,0,0,0,0|1,0,0]=2 75 B9R0.34 C\C=C\C(=O)OC(C)CC 7496AL [0,1,0,0,0,0|2,0,1]=4 76 B9R0.35 CCOC(=O)C(Cl)OCC 4043AB [0,1,0,0,0,0|1,0,0]=2 77 B9R0.48 CCOC(=O)CC[N+](=O)[O-] Y8858 [0,1,0,0,0,0|2,0,0]=3 78 B9R0.48 CCOC(=O)CNC(N)=O 7014AE [0,1,0,0,0,0|2,0,1]=4 79 B9R0.48 CNCC(=O)NCC(C)C 2001AD [0,1,0,0,0,0|3,0,0]=4 80 B9R1.2 CCC1CCCC(C)C1 4845AL [0,0,0,1,0,0|2,0,1]=4 81 B9R1.2 CCC1CCCC(O)C1 5870AJ [0,0,0,1,0,0|1,0,2]=4 82 B9R1.2 NCC1CCCC(=O)N1 3336AJ [0,0,0,1,0,0|3,0,0]=4 83 B9R1.2 O=C1CC(CO)CCN1 5141AE [0,0,0,1,0,0|2,0,0]=3 84 B9R1.2 O=C1CCCC(CO)N1 3344AJ [0,0,0,1,0,0|3,0,0]=4 85 B9R1.2 O=C1CCC[C@@H](CO)N1 5437AA [0,0,0,1,0,0|3,0,0]=4 86 B9R1.8 CCCC1CCCCC1 8884AL [0,0,0,1,0,0|2,0,1]=4 87 B9R1.8 CCCC1CCCCN1 0725AP [0,0,0,1,0,0|2,0,1]=4 88 B9R1.8 CCOC1CCNCC1 8927AC [0,0,0,1,0,0|2,0,1]=4 89 B9R1.12 CCCCC1=CC=CO1 5552AL [0,0,0,1,0,0|1,0,2]=4 90 B9R1.12 CCCCC1=NN=CO1 6161AC [0,0,0,1,0,0|2,0,1]=4 91 B9R1.15 CCC1CCCCC1=O 6094AB [0,0,0,1,0,0|1,0,0]=2 92 B9R1.15 CCC1CCCCC1C 4843AL [0,0,0,1,0,0|2,0,1]=4 93 B9R1.15 CCC1NCCNC1=O 5065AC [0,0,0,1,0,0|3,0,0]=4 94 B9R1.15 COC1=CCCCC1=O 1767AJ [0,0,0,1,0,0|2,0,1]=4 95 B9R1.15 O=CC1CCCCC1=O 0719AD [0,0,0,1,0,0|2,0,1]=4 96 B9R1.27 CCN1C(=O)CCC1=O 8556AL [0,0,0,1,0,0|2,0,1]=4 97 B9R1.48 CC1CC(=O)NCCN1 Y4643 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.49 CN1CCCC(=O)CC1 W4017 [0,0,0,1,0,0|2,0,0]=3 99 B9R1.69 CC1CC(=O)CCC1O 4918AC [0,0,0,1,0,0|2,0,0]=3 100 B9R1.69 CC1CCC(=O)NC1=O 3017AB [0,0,0,1,0,0|2,0,1]=4 101 B9R1.69 CC1CCC(C)C(C)C1 4409AL [0,0,0,1,0,0|2,0,1]=4 102 B9R1.73 CCOC(=O)C1CCN1 1941AC [0,0,0,1,0,0|1,0,0]=2 103 B9R1.73 CCOC(=O)C1CCN1 8256AA [0,0,0,1,0,0|1,0,0]=2 104 B9R1.73 CCOC(=O)[C@@H]1CCN1 2353AC [0,0,0,1,0,0|1,0,0]=2 105 B9R1.183 CCOC(=O)C1CC1C 0688AB [0,0,0,1,0,0|0,0,0]=1 106 B9R1.183 CCOC(=O)[C@H]1C[C@H]1F 3219AL [0,0,0,1,0,0|1,0,0]=2 107 B6R0.6 CC#CCCCC 5638AL [2,0,0,0,0,0|0,0,2]=4 108 B6R0.6 CCCCCSC 7567AF [2,0,0,0,0,0|0,1,1]=4 109 B6R0.6 CCCCOCC 7302AL [2,0,0,0,0,0|0,0,0]=2 110 B6R0.6 CCCOCCC 7558AF [2,0,0,0,0,0|1,0,1]=4 111 B6R0.6 CCCSCCC 7569AF [2,0,0,0,0,0|1,0,1]=4 112 B6R0.6 CCC\C=C/CO 7423AL [2,0,0,0,0,0|1,0,1]=4 113 B6R0.6 CCOCCNC 5385AD [2,0,0,0,0,0|1,0,0]=3 114 B6R0.6 CC\C=C\CCC 9219AL [2,0,0,0,0,0|0,0,1]=3 115 B6R0.6 CNCCCOC V6596 [2,0,0,0,0,0|1,0,1]=4 116 B6R0.6 C\C=C/CCCC 7422AL [2,0,0,0,0,0|0,0,1]=3 117 B6R0.6 C\C=C/CCCCl 7455AL [2,0,0,0,0,0|1,0,1]=4 118 B6R0.6 C\C=C\CCCC 7780AF [2,0,0,0,0,0|0,0,1]=3 119 B6R0.6 C\C=C\SCCC U946 [2,0,0,0,0,0|1,0,1]=4 120 B6R0.1 C#CCC(=O)OC 3698AB [2,0,0,0,0,0|0,0,2]=4 121 B6R0.1 CC#CC(=O)OC X7106 [2,0,0,0,0,0|0,0,2]=4 122 B6R0.1 CCC(=O)CSC K829 [2,0,0,0,0,0|1,0,0]=3 123 B6R0.1 CCCC(=O)SC 8847AJ [2,0,0,0,0,0|0,1,0]=3 124 B6R0.1 CCCC(Br)CC 3975AB [2,0,0,0,0,0|1,0,1]=4 125 B6R0.1 CCCC(C)CC 7810AF [2,0,0,0,0,0|1,0,1]=4 126 B6R0.1 CCCC(O)CC 7557AF [2,0,0,0,0,0|0,0,2]=4 127 B6R0.1 CCNC(=O)CBr 5060AE [2,0,0,0,0,0|2,0,0]=4 128 B6R0.1 CCNC(=O)CN 8793AD [2,0,0,0,0,0|2,0,0]=4 129 B6R0.1 CCOC(=N)CC 8352AC [2,0,0,0,0,0|1,0,0]=3 130 B6R0.1 CCOC(C)CC 8956AL [2,0,0,0,0,0|1,0,1]=4 131 B6R0.1 CCSC(=O)CC 8960AL [2,0,0,0,0,0|0,1,0]=3 132 B6R0.1 CNC(=O)CCCl 2983AE [2,0,0,0,0,0|2,0,0]=4 133 B6R0.1 CNC(=O)CCO 8079AE [2,0,0,0,0,0|2,0,0]=4 134 B6R0.1 CNCC(=O)NC V5990 [2,0,0,0,0,0|2,0,0]=4 135 B6R0.1 COC(=O)CCN 5700AB [2,0,0,0,0,0|1,0,0]=3 136 B6R0.4 C=C(C)CCCC 5699AL [2,0,0,0,0,0|1,0,0]=3 137 B6R0.4 CC(=O)CCCBr W5938 [2,0,0,0,0,0|1,0,0]=3 138 B6R0.4 CC(=O)NCCCl W8163 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.4 CC(=O)OCCCl 7237AF [2,0,0,0,0,0|2,0,0]=4 140 B6R0.4 CC(=O)SCCN 5884AD [2,0,0,0,0,0|2,0,0]=4 141 B6R0.4 CCCC=C(C)C 5704AL [2,0,0,0,0,0|1,0,1]=4 142 B6R0.4 CCCCC(=O)Br 7391AF [2,0,0,0,0,0|1,0,0]=3 143 B6R0.4 CCCCC(C)Br 5535AL [2,0,0,0,0,0|1,0,1]=4 144 B6R0.4 CCCCC(C)C 5734AL [2,0,0,0,0,0|1,0,1]=4 145 B6R0.4 CCCCC(C)Cl 5578AL [2,0,0,0,0,0|1,0,1]=4 146 B6R0.4 CCCCC(C)N 7573AF [2,0,0,0,0,0|1,0,1]=4 147 B6R0.4 CCCCC(C)O 9467AB [2,0,0,0,0,0|0,0,2]=4 148 B6R0.4 CC\C=C\C(=O)O 6805AA [2,0,0,0,0,0|0,0,2]=4 149 B6R0.4 CSCCC(=O)Cl 6126AL [2,0,0,0,0,0|2,0,0]=4 150 B8R0.4 CCC#CCCCCC 6141AL [1,1,0,0,0,0|1,0,1]=4 151 B8R0.4 CCCCCCCCC 8936AJ [1,1,0,0,0,0|1,0,1]=4 152 B8R0.4 CCCCCCCSC 8022AL [1,1,0,0,0,0|1,0,1]=4 153 B8R0.4 CCCNCCCNC 4534AE [1,1,0,0,0,0|2,0,0]=4 154 B8R0.4 CCC\C=C/CCCC 7450AL [1,1,0,0,0,0|1,0,0]=3 155 B8R0.7 CCCCCC[C@H](C)O D263 [1,1,0,0,0,0|1,0,1]=4 156 B8R0.3 C=CCC(N)C(=O)OC 4218AJ [1,1,0,0,0,0|0,0,2]=4 157 B8R0.3 C=CCC(N)C(=O)OC 4219AJ [1,1,0,0,0,0|0,0,2]=4 158 B8R0.3 CCCC(N)C(=O)NC 1487AF [1,1,0,0,0,0|1,0,0]=3 159 B8R0.3 CNCC(C)C(=O)OC Z2743 [1,1,0,0,0,0|1,0,0]=3 160 B8R0.3 COCC(Br)C(=O)OC V4873 [1,1,0,0,0,0|1,0,0]=3 161 B8R0.8 CC(N)C(=O)NCCO 2846AD [1,1,0,0,0,0|2,0,0]=4 162 B8R0.8 CC(O)C(=O)NCCO 8324AL [1,1,0,0,0,0|2,0,0]=4 163 B8R0.8 CCCCC(=O)C(C)=O 5249AL [1,1,0,0,0,0|0,0,1]=3 164 B8R0.8 CCCCC(=O)C(C)C 5543AA [1,1,0,0,0,0|0,0,0]=2 165 B8R0.8 CCCCC(C)C(C)C 5236AL [1,1,0,0,0,0|1,0,1]=4 166 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [1,1,0,0,0,0|1,0,0]=3 167 B8R0.8 CN(C)C(=O)CCCCl 7775AD [1,1,0,0,0,0|2,0,0]=4 168 B8R0.9 CC(C)CNC(=O)CBr 4255AF [1,1,0,0,0,0|2,0,0]=4 169 B8R0.9 CC(C)CNC(=O)CN 5727AD [1,1,0,0,0,0|2,0,0]=4 170 B8R0.9 CCC(=O)CCC(C)=O 8738AA [1,1,0,0,0,0|0,0,1]=3 171 B8R0.9 CCC(=O)CCC(C)C 7962AF [1,1,0,0,0,0|0,0,0]=2 172 B8R0.9 CCC(=O)COC(C)=O X5648 [1,1,0,0,0,0|1,0,1]=4 173 B8R0.9 CCC(C)CCC(C)C 5380AL [1,1,0,0,0,0|1,0,1]=4 174 B8R0.9 CCC(C)CCC(C)O 6794AL [1,1,0,0,0,0|1,0,1]=4 175 B8R0.19 CCC(C)NC(=O)CN 1865AD [1,1,0,0,0,0|2,0,0]=4 176 B8R0.19 COC(=O)C[C@H](O)CO 5051AC [1,1,0,0,0,0|1,0,0]=3 177 B8R0.25 CCCCC(C)(C)CC 5875AL [1,1,0,0,0,0|1,0,1]=4 178 B8R0.25 CCCCC(C)(O)CC 6103AL [1,1,0,0,0,0|0,0,2]=4 179 B8R0.5 CC(C)NC(=O)CCN 9774AC [1,1,0,0,0,0|2,0,0]=4 180 B8R0.5 CCCC(=O)NC(C)C 4245AA [1,1,0,0,0,0|1,0,0]=3 181 B8R0.5 CCOC(=O)CC(C)Br 1536AC [1,1,0,0,0,0|0,0,0]=2 182 B8R0.5 CNCC(=O)NC(C)C 1017AD [1,1,0,0,0,0|2,0,0]=4 183 B8R0.5 CNCC(=O)NC(C)C 4697AE [1,1,0,0,0,0|2,0,0]=4 184 B8R0.22 CCCN(CCC)N=O 8613AL [1,1,0,0,0,0|2,0,0]=4 185 B10R0.6 CCCCCC(=O)CC(C)=O 6753AE [0,2,0,0,0,0|1,0,1]=4 186 B10R0.28 CCNCC(=O)OC(C)(C)C Z4284 [0,2,0,0,0,0|1,0,0]=3 187 B10R0.32 CCOC(=O)C(N)CC(C)C 9238AD [0,2,0,0,0,0|0,0,0]=2 188 B10R0.81 CCCNC(=O)C(N)C(C)C 2899AD [0,2,0,0,0,0|2,0,0]=4 189 B10R0.1 C=CCNCCC(=O)OCC 3858AE [0,2,0,0,0,0|0,0,1]=3 190 B10R0.1 CCCNCCC(=O)NCC 7923AC [0,2,0,0,0,0|1,0,0]=3 191 B10R0.1 CCCNCCC(=O)OCC 0093AE [0,2,0,0,0,0|0,0,0]=2 192 B10R0.1 CCOC(=O)CCCN=C=S 5523AD [0,2,0,0,0,0|0,0,1]=3 193 B10R0.1 CCOC(=O)\C=C\CCCCl 3021AL [0,2,0,0,0,0|0,0,1]=3 194 B10R0.1 COCCCNC(=O)CCN 2344AD [0,2,0,0,0,0|2,0,0]=4 195 B10R0.3 C=C(C)CCCC(=O)OCC 5166AB [0,2,0,0,0,0|0,0,0]=2 196 B10R0.3 CC(O)CCNC(=O)CCN 2226AD [0,2,0,0,0,0|2,0,0]=4 197 B10R0.3 CCNC(=O)CCNC(C)C 7919AC [0,2,0,0,0,0|1,0,0]=3 198 B10R0.3 CCOC(=O)CSCC(C)=O 7389AE [0,2,0,0,0,0|0,0,1]=3 199 B10R0.3 CNCC(=O)NCCC(C)O 2343AD [0,2,0,0,0,0|2,0,0]=4 200 B10R0.19 CCCCN(C)C(=O)CCN 2233AD [0,2,0,0,0,0|2,0,0]=4 201 B10R0.19 CCCCN(C)C(=O)CNC 2298AD [0,2,0,0,0,0|2,0,0]=4 202 B10R0.19 CCOC(=O)[C@@H](N)CCCN X4052 [0,2,0,0,0,0|0,0,0]=2 203 B10R0.83 CCCCOC(=O)[C@@H](O)CC X9834 [0,2,0,0,0,0|1,0,0]=3 204 B10R0.108 CCOC(=O)CNC(=O)OC 8188AB [0,2,0,0,0,0|1,0,1]=4 205 B10R0.116 CCCCS(=O)(=O)CCCC M740 [0,2,0,0,0,0|2,0,0]=4 206 B10R0.116 CCCOS(=O)(=O)OCCC 7763AL [0,2,0,0,0,0|2,0,0]=4 207 B10R0.26 CCOC(=O)CC(C)N(C)C 0686AF [0,2,0,0,0,0|1,0,0]=3 208 B10R0.26 CCOC(=O)CN(C)C(C)=O 4188AB [0,2,0,0,0,0|1,0,1]=4 209 B10R0.109 CCOC(=O)CCC(C)(F)F 0018AQ [0,2,0,0,0,0|0,0,0]=2 210 B8R1.2 NCC1=CCCCC1 3737AB [1,0,0,1,0,0|2,0,0]=4 211 B8R1.5 CC1CCCCC1C 4454AL [1,0,0,1,0,0|1,0,1]=4 212 B8R1.5 C[C@H]1CCCC[C@@H]1C 9189AL [1,0,0,1,0,0|1,0,1]=4 213 B8R1.5 C[C@H]1CCCC[C@H]1C 7956AF [1,0,0,1,0,0|1,0,1]=4 214 B8R1.8 CCCC1CCNC1 9744AC [1,0,0,1,0,0|1,0,1]=4 215 B8R1.8 CCNC1CCCC1 0012AD [1,0,0,1,0,0|1,0,1]=4 216 B8R1.8 CCOC1CCNC1 2264AJ [1,0,0,1,0,0|1,0,1]=4 217 B8R1.8 CCOC1CCNC1 6283AB [1,0,0,1,0,0|1,0,1]=4 218 B8R1.8 CCO[C@@H]1CCNC1 8998AH [1,0,0,1,0,0|1,0,1]=4 219 B8R1.8 CCO[C@@H]1CCNC1 V3659 [1,0,0,1,0,0|1,0,1]=4 220 B8R1.8 CCO[C@H]1CCNC1 7072AA [1,0,0,1,0,0|1,0,1]=4 221 B8R1.8 CNCC1CCOC1 8650AE [1,0,0,1,0,0|1,0,1]=4 222 B8R1.10 CCOCC1CNC1 2386AF [1,0,0,1,0,0|1,0,1]=4 223 B8R1.22 CC1CCCNCC1 2641AE [1,0,0,1,0,0|1,0,1]=4 224 B8R1.1 CCC1COC(=O)N1 5157AD [1,0,0,1,0,0|1,0,0]=3 225 B8R1.1 NCC1CCC(=O)N1 X3339 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.1 O=C1CC(CO)CN1 7314AE [1,0,0,1,0,0|2,0,0]=4 227 B8R1.1 O=C1CCC(CO)C1 W1896 [1,0,0,1,0,0|1,0,0]=3 228 B8R1.1 O=C1CCC(CO)N1 9405AB [1,0,0,1,0,0|2,0,0]=4 229 B8R1.3 CC1CCC(=O)NC1 3753AB [1,0,0,1,0,0|1,0,0]=3 230 B8R1.3 CC1CCC(C)CC1 7953AF [1,0,0,1,0,0|1,0,1]=4 231 B8R1.3 CC1CCC(N)CC1 0306AA [1,0,0,1,0,0|1,0,1]=4 232 B8R1.3 CC1CNC(=O)CO1 6453AJ [1,0,0,1,0,0|2,0,0]=4 233 B8R1.3 C[C@H]1CC[C@@H](C)CC1 7416AL [1,0,0,1,0,0|1,0,1]=4 234 B8R1.3 C[C@H]1CC[C@@H](N)CC1 3945AJ [1,0,0,1,0,0|1,0,1]=4 235 B8R1.3 C[C@H]1CC[C@H](C)CC1 3891AL [1,0,0,1,0,0|1,0,1]=4 236 B8R1.3 NC1CCC(=O)NC1 7736AA [1,0,0,1,0,0|2,0,0]=4 237 B8R1.3 N[C@@H]1CCC(=O)NC1 0145AA [1,0,0,1,0,0|2,0,0]=4 238 B8R1.3 N[C@H]1CCC(=O)NC1 0353AC [1,0,0,1,0,0|2,0,0]=4 239 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.3 O=C1CC[C@H](O)CN1 W4776 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.38 CNC(=O)C1CCC1 4798AA [1,0,0,1,0,0|1,0,0]=3 242 B8R1.38 COC(=O)C1CCN1 6194AA [1,0,0,1,0,0|1,0,0]=3 243 B8R1.38 COC(=O)[C@@H]1CCN1 W7941 [1,0,0,1,0,0|1,0,0]=3 244 B8R1.38 O=C(CBr)N1CCC1 4165AC [1,0,0,1,0,0|2,0,0]=4 245 B8R1.40 NCC(=O)NC1CC1 4993AH [1,0,0,1,0,0|2,0,0]=4 246 B8R1.50 CC1CCC(=O)N1C 0337AQ [1,0,0,1,0,0|1,0,0]=3 247 B8R1.52 CC[N+]1(C)CCCC1 4840AL [1,0,0,1,0,0|2,0,0]=4 248 B8R1.4 CC1CC(=O)CCN1 1072AC [1,0,0,1,0,0|2,0,0]=4 249 B8R1.4 CC1CCCC(=O)N1 6454AJ [1,0,0,1,0,0|1,0,0]=3 250 B8R1.4 CC1COCC(=O)N1 V7159 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.4 CN1CCCC(=O)C1 9933AH [1,0,0,1,0,0|2,0,0]=4 252 B8R1.4 CN1CCCC(=O)C1 9934AH [1,0,0,1,0,0|2,0,0]=4 253 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [1,0,0,1,0,0|2,0,0]=4 254 B8R1.4 C[C@@H]1COCC(=O)N1 3435AA [1,0,0,1,0,0|2,0,0]=4 255 B8R1.4 C[C@H]1COCC(=O)N1 Z8132 [1,0,0,1,0,0|2,0,0]=4 256 B8R1.4 NC1CCNC(=O)C1 X9664 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.37 CCOC(=O)[C@H]1CO1 3304AL [1,0,0,1,0,0|1,0,0]=3 258 B10R1.61 CC(C)N1CCNCC1=O 9900AH [0,1,0,1,0,0|2,0,0]=4 259 B10R1.266 CC(=O)CC(=O)C1CCC1 7579AC [0,1,0,1,0,0|1,0,1]=4 260 B10R1.10 CCCC1CCOC(C)S1 U226 [0,1,0,1,0,0|1,0,1]=4 261 B10R1.11 CCNC(=O)C1CCCN1 6332AE [0,1,0,1,0,0|1,0,0]=3 262 B10R1.11 CCOC(=O)C1CC=NN1 Z5298 [0,1,0,1,0,0|1,0,1]=4 263 B10R1.11 CCOC(=O)C1CCOC1 6739AA [0,1,0,1,0,0|0,0,0]=2 264 B10R1.11 O=C(CCCl)N1CCCC1 7071AE [0,1,0,1,0,0|2,0,0]=4 265 B10R1.19 CCN1CCNCCC1=O 5544AD [0,1,0,1,0,0|1,0,0]=3 266 B10R1.29 CCCCC1CCCC1=O 5846AC [0,1,0,1,0,0|1,0,0]=3 267 B10R1.78 O=C1CCCCCCCN1 5501AL [0,1,0,1,0,0|1,0,0]=3 268 B10R1.135 CCOC(=O)C1CC1CO 1740AJ [0,1,0,1,0,0|0,0,0]=2 269 B10R1.137 CCOC(=O)CC1COC1 3606AA [0,1,0,1,0,0|0,0,0]=2 270 B10R1.138 CCCC(=O)OC[C@@H]1CO1 D271 [0,1,0,1,0,0|2,0,0]=4 271 B10R1.138 CCOC(=O)C=CC1CC1 1199AQ [0,1,0,1,0,0|0,0,1]=3 272 B10R1.197 CCN1CCNC(=O)CC1 4575AB [0,1,0,1,0,0|1,0,0]=3 273 B10R1.4 CCCC1CCCCC1=O 8126AF [0,1,0,1,0,0|1,0,0]=3 274 B10R1.4 CCCN1CCNCC1=O 7489AE [0,1,0,1,0,0|2,0,0]=4 275 B10R1.4 O=C1NCCNC1CCO 5923AC [0,1,0,1,0,0|2,0,0]=4 276 B10R1.17 NCCOC1CCCCC1 5274AJ [0,1,0,1,0,0|1,0,1]=4 277 B10R1.17 OCCOC1CCCCC1 5273AJ [0,1,0,1,0,0|1,0,1]=4 278 B10R1.149 COC(=O)C1CCOC1=O 0056AB [0,1,0,1,0,0|1,0,1]=4 279 B10R1.212 CCOC(=O)C(C)=C1CC1 Y9988 [0,1,0,1,0,0|0,0,2]=4 280 B10R1.401 CCOC(=O)C1(N)CCC1 7173AA [0,1,0,1,0,0|0,0,0]=2 281 B10R1.161 O=NN1CCCCCCC1 8615AL [0,1,0,1,0,0|2,0,0]=4 282 B10R1.113 CC(C)C1CCCC(=O)C1 7920AD [0,1,0,1,0,0|1,0,0]=3 283 B10R1.113 CC(C)N1CCCC(=O)C1 W8425 [0,1,0,1,0,0|2,0,0]=4 284 B10R2.62 C12CCN(CC1)CC2=O X7169 [0,0,0,2,0,0|2,0,0]=4 285 B10R2.71 ClC1=CC2CCC(C1)C2 1365AQ [0,0,0,2,0,0|2,0,0]=4 286 B10R2.2 O=C1CC2CNCC2C1 4135AJ [0,0,0,2,0,0|2,0,0]=4 287 B10R2.2 [C@@H]12CCC=C1CC(=O)O2 Y8486 [0,0,0,2,0,0|0,0,2]=4 288 B10R2.32 O=C1CCC2CNCC12 1388AC [0,0,0,2,0,0|2,0,0]=4 289 B10R2.32 O=C1CCC2CNCC12 Y5990 [0,0,0,2,0,0|2,0,0]=4 290 B10R2.32 O=C1CCN2CCCC12 6905AA [0,0,0,2,0,0|2,0,0]=4 291 B10R2.179 CC12CCCC(=O)C1O2 3046AL [0,0,0,2,0,0|2,0,0]=4