0 B7R0.7 CCCC(C)CC=S U658 [0,0,0,0,0,0|1,1,1]=3 1 B7R0.7 CCCC(C)CCC 6609AL [0,0,0,0,0,0|2,0,0]=2 2 B7R0.7 CCCC(C)N=C=S 6786AD [0,0,0,0,0,0|2,1,1]=4 3 B7R0.7 CCCC(O)CCC 6512AL [0,0,0,0,0,0|1,1,0]=2 4 B7R0.7 CCCC(S)CCO U459 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.7 CCNC(=O)CCCl 3193AE [0,0,0,0,0,0|2,1,1]=4 6 B7R0.7 CCNC(C)CCO 9482AE [0,0,0,0,0,0|2,0,0]=2 7 B7R0.7 CCOC(C)OCC U086 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.7 CN(CCN)CCN 8596AL [0,0,0,0,0,0|4,0,0]=4 9 B7R0.7 O=C(CCO)CCO 5879AB [0,0,0,0,0,0|1,1,1]=3 10 B6R0.1 C=CC(O)CCC I123 [1,0,0,0,0,0|0,1,2]=4 11 B6R0.1 CC(CO)CCN 2620AL [1,0,0,0,0,0|2,0,0]=3 12 B6R0.1 CCC(O)COC 4893AL [1,0,0,0,0,0|1,1,0]=3 13 B6R0.1 CCCC(C)CCl 4812AL [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 CCC\C(N)=N\O 8990AD [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 CCNC(=O)CC 8553AL [1,0,0,0,0,0|1,1,1]=4 16 B6R0.1 C[C@@H](CO)CCN 4158AL [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 ClCC(Cl)CCBr 4770AL [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 OC(CCl)CCCl 4625AL [1,0,0,0,0,0|2,1,0]=4 19 B6R0.6 BrCC[NH2+]CCBr W6266 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.6 C#CCCCCBr 0285AC [1,0,0,0,0,0|1,0,2]=4 21 B6R0.6 C#CCCCCCl Z1919 [1,0,0,0,0,0|1,0,2]=4 22 B6R0.6 C#CCCCCI 1166AQ [1,0,0,0,0,0|1,0,2]=4 23 B6R0.6 C=CCCCCCl X6224 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.6 CCC#CCCO 5338AH [1,0,0,0,0,0|0,0,2]=3 25 B6R0.6 CCCC#CCO V0624 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.6 CCCCSCC 7568AF [1,0,0,0,0,0|2,0,0]=3 27 B6R0.6 CCCNCCO 8316AA [1,0,0,0,0,0|1,0,0]=2 28 B6R0.6 CNCCCCO 5794AB [1,0,0,0,0,0|1,0,0]=2 29 B6R0.6 C\C=C/CCCO 7448AL [1,0,0,0,0,0|0,0,2]=3 30 B6R0.6 ICCOCCI 4098AB [1,0,0,0,0,0|3,0,0]=4 31 B6R0.6 NCCOCCN 9093AB [1,0,0,0,0,0|3,0,0]=4 32 B6R0.6 SCCCCCS 7344AF [1,0,0,0,0,0|1,1,0]=3 33 B6R0.6 SCCOCCS 5152AL [1,0,0,0,0,0|2,1,0]=4 34 B8R0.1 CCCCC(O)CCC 7995AF [0,1,0,0,0,0|1,1,0]=3 35 B8R0.1 CCCCN(C)CCCl 9577AC [0,1,0,0,0,0|3,0,0]=4 36 B8R0.1 CCCOC(=O)CCC 9026AJ [0,1,0,0,0,0|1,1,1]=4 37 B8R0.3 C#CC(O)C(C)CCC 1144AQ [0,1,0,0,0,0|2,0,1]=4 38 B8R0.22 CCCC(C#N)CCC Y5013 [0,1,0,0,0,0|2,0,0]=3 39 B8R0.30 C[N+](C)(CCO)CCO 7192AL [0,1,0,0,0,0|3,0,0]=4 40 B8R1.4 CC1CC(=O)CCN1 6568AA [0,0,0,1,0,0|1,1,1]=4 41 B8R1.4 CC1CC(=O)CCO1 3309AA [0,0,0,1,0,0|0,1,1]=3 42 B8R1.4 CC1CC(O)CCO1 1817AJ [0,0,0,1,0,0|0,1,0]=2 43 B8R1.4 CC1CCCC(C)C1 4569AL [0,0,0,1,0,0|2,0,0]=3 44 B8R1.4 CN1CCCC(N)C1 W9236 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.4 CN1CCC[C@@H](N)C1 8666AH [0,0,0,1,0,0|3,0,0]=4 46 B8R1.4 CN1CCC[C@@H](N)C1 8990AH [0,0,0,1,0,0|3,0,0]=4 47 B8R1.4 C[C@@H]1CN(C)CCN1 8938AH [0,0,0,1,0,0|3,0,0]=4 48 B8R1.4 C[C@H]1CCC[C@@H](C)N1 9437AE [0,0,0,1,0,0|3,0,0]=4 49 B8R1.4 NC1CCCC(N)C1 V5282 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.4 NC1CCCC(O)C1 2142AJ [0,0,0,1,0,0|1,0,0]=2 51 B8R1.4 NC1CCCC(O)C1 W7861 [0,0,0,1,0,0|1,0,0]=2 52 B8R1.4 O=C1CC(O)CCN1 V1296 [0,0,0,1,0,0|1,1,1]=4 53 B8R1.4 O=C1C[C@@H](O)CCN1 W6428 [0,0,0,1,0,0|1,1,1]=4 54 B8R1.8 CNCC1CCCO1 7539AF [0,0,0,1,0,0|2,1,0]=4 55 B8R1.8 COCC1CCCN1 V2776 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.8 COCC1CCCN1 Y4051 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.8 COC[C@H]1CCCN1 8959AH [0,0,0,1,0,0|3,0,0]=4 58 B8R1.8 N#CCC1CCCC1 5870AE [0,0,0,1,0,0|2,0,1]=4 59 B8R1.8 NCCC1CCCC1 W7101 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.8 NCCC1CCCC1 Z5033 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.11 CCC1CCCC1=O 6742AB [0,0,0,1,0,0|1,1,1]=4 62 B8R1.11 CN1CCCC1CN X2049 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.22 BrC1CCCCCC1 1727AB [0,0,0,1,0,0|2,0,0]=3 64 B8R1.22 NC1CCCCNC1 3820AJ [0,0,0,1,0,0|3,0,0]=4 65 B8R1.22 O=C1CCOCCN1 0717AP [0,0,0,1,0,0|1,1,1]=4 66 B8R1.22 O=C1CCOCCO1 4654AL [0,0,0,1,0,0|1,1,1]=4 67 B5R0.1 C=C(C)CCC 5700AL [2,0,0,0,0,0|1,0,1]=4 68 B5R0.1 CC(C)CCI X5313 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.1 CC(N)CCO Z2685 [2,0,0,0,0,0|1,0,0]=3 70 B5R0.1 COCC(C)N 0442AC [2,0,0,0,0,0|2,0,0]=4 71 B5R0.1 COC[C@@H](C)N W7467 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.1 C[C@H](N)CCO W7371 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.2 CC#CCCC 7448AF [2,0,0,0,0,0|0,0,2]=4 74 B5R0.2 CCCCON 7308AJ [2,0,0,0,0,0|2,0,0]=4 75 B5R0.2 CCCSSC 8846AJ [2,0,0,0,0,0|2,0,0]=4 76 B5R0.2 CC\C=C/CC 7431AL [2,0,0,0,0,0|0,0,2]=4 77 B5R0.2 CC\C=C/CO 3214AL [2,0,0,0,0,0|0,0,2]=4 78 B5R0.2 CC\C=C\CC 3771AD [2,0,0,0,0,0|0,0,2]=4 79 B5R0.2 CNCCSC 7146AJ [2,0,0,0,0,0|2,0,0]=4 80 B5R0.2 NCCCCBr 4038AB [2,0,0,0,0,0|2,0,0]=4 81 B5R0.2 NCCCCBr Z4484 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.2 NCCCCCl 9859AB [2,0,0,0,0,0|2,0,0]=4 83 B5R0.2 OCCNCO 5459AL [2,0,0,0,0,0|2,0,0]=4 84 B5R0.3 CCC(C)CC 6117AL [2,0,0,0,0,0|1,0,0]=3 85 B5R0.3 CCC(C)CI 4886AL [2,0,0,0,0,0|2,0,0]=4 86 B5R0.3 CCC(C)NC 9511AE [2,0,0,0,0,0|2,0,0]=4 87 B5R0.3 CCC(O)CN 6349AA [2,0,0,0,0,0|1,1,0]=4 88 B5R0.3 CCN(C)CC 7490AH [2,0,0,0,0,0|2,0,0]=4 89 B5R0.3 CC[C@H](O)CO 1422AC [2,0,0,0,0,0|0,1,0]=3 90 B5R0.3 NC(CO)CO V0534 [2,0,0,0,0,0|2,0,0]=4 91 B5R0.3 OCC(S)CS F878 [2,0,0,0,0,0|1,0,0]=3 92 B7R0.2 CCC(=O)CC(C)C 9385AB [1,1,0,0,0,0|0,1,1]=4 93 B7R0.2 CCC(N)CC(=O)O W4035 [1,1,0,0,0,0|1,0,1]=4 94 B7R0.2 CC[C@H](C)CC(=O)O 4847AJ [1,1,0,0,0,0|1,0,1]=4 95 B7R0.2 CNC(C)CC(C)C 2627AF [1,1,0,0,0,0|2,0,0]=4 96 B7R0.3 CCCCC(=O)CC 7786AF [1,1,0,0,0,0|0,1,1]=4 97 B7R0.3 CCCCC(Br)CC 6006AL [1,1,0,0,0,0|1,0,0]=3 98 B7R0.3 CCCC[C@@H](N)CO V7833 [1,1,0,0,0,0|1,0,0]=3 99 B7R0.3 CCCOC(=O)CC 7524AF [1,1,0,0,0,0|0,1,1]=4 100 B7R0.3 CCOCC(O)CCl 5717AB [1,1,0,0,0,0|1,1,0]=4 101 B7R0.3 OCCCC(O)CO 4412AL [1,1,0,0,0,0|0,1,0]=3 102 B7R0.5 CC(C)C(N)CCO 5799AJ [1,1,0,0,0,0|1,0,0]=3 103 B7R0.10 CC[C@@H](C)[C@@H](N)CO G876 [1,1,0,0,0,0|1,0,0]=3 104 B7R0.12 CCN(CCO)N=O 8548AL [1,1,0,0,0,0|1,1,0]=4 105 B7R0.1 CCCC#CCCC 7932AF [1,1,0,0,0,0|1,0,1]=4 106 B7R0.1 CCCC#CCCO 5337AH [1,1,0,0,0,0|0,0,1]=3 107 B7R0.1 CCCCC#CCO V0602 [1,1,0,0,0,0|0,0,1]=3 108 B7R0.1 CCCCCCOC 8052AL [1,1,0,0,0,0|0,0,0]=2 109 B7R0.1 CCCCCOC=O 7518AF [1,1,0,0,0,0|0,0,2]=4 110 B7R0.1 CCCCSCCO 5039AL [1,1,0,0,0,0|0,0,0]=2 111 B7R0.1 CCCNCCCN 1645AB [1,1,0,0,0,0|1,0,0]=3 112 B7R0.1 CCC\C=C/CCC 7451AL [1,1,0,0,0,0|1,0,1]=4 113 B7R0.1 CCNCCCCO 2370AE [1,1,0,0,0,0|0,0,0]=2 114 B7R0.1 CC\C=C/CCCO 7447AL [1,1,0,0,0,0|0,0,1]=3 115 B7R0.1 CNCCCCNC 8068AA [1,1,0,0,0,0|2,0,0]=4 116 B7R0.1 NCCCNCCN M698 [1,1,0,0,0,0|2,0,0]=4 117 B7R0.1 NCCCNCCO 6154AB [1,1,0,0,0,0|1,0,0]=3 118 B7R0.1 NCCNCCCO 8334AL [1,1,0,0,0,0|1,0,0]=3 119 B7R0.1 OCCNNCCO 1925AB [1,1,0,0,0,0|2,0,0]=4 120 B7R0.4 CC(=O)CCCCCl D718 [1,1,0,0,0,0|1,0,1]=4 121 B7R0.4 CC(C)NCCCO 0839AE [1,1,0,0,0,0|1,0,0]=3 122 B7R0.4 CCC#CCC(C)O 6519AL [1,1,0,0,0,0|0,0,2]=4 123 B7R0.4 CCCOCC(=O)O 5344AE [1,1,0,0,0,0|1,0,1]=4 124 B7R0.4 CNCCCC(=O)O 2115AA [1,1,0,0,0,0|1,0,1]=4 125 B7R0.4 COCCCC(=O)O 2917AB [1,1,0,0,0,0|1,0,1]=4 126 B7R0.4 NCCCCC(=O)O 9495AB [1,1,0,0,0,0|1,0,1]=4 127 B7R0.4 OB(O)CCCCBr X0904 [1,1,0,0,0,0|2,0,0]=4 128 B9R0.4 CSCC[C@H](N)CC(=O)O Z5847 [0,2,0,0,0,0|1,0,1]=4 129 B9R0.5 CCCCCC(O)CCC 6654AL [0,2,0,0,0,0|1,1,0]=4 130 B9R0.18 CCCCC(O)CCCC 6808AL [0,2,0,0,0,0|1,1,0]=4 131 B9R0.35 CCCC(=O)C(O)CCC 6732AB [0,2,0,0,0,0|1,1,0]=4 132 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Z5767 [0,2,0,0,0,0|1,0,1]=4 133 B9R0.53 CC(C)C[C@H](N)CC(=O)O X3295 [0,2,0,0,0,0|1,0,1]=4 134 B9R0.58 CCCC(C)(O)CC(=O)O 8750AB [0,2,0,0,0,0|0,1,1]=4 135 B9R0.15 CCCC(CCC)C(N)=O V0939 [0,2,0,0,0,0|1,1,0]=4 136 B9R0.17 CCOC(CCO)OCC 8558AA [0,2,0,0,0,0|1,1,0]=4 137 B7R1.1 CNC1CCCC1 W8261 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.1 CNC1CCCC1 Z4480 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.1 ICC1CCOC1 3884AL [1,0,0,1,0,0|2,0,0]=4 140 B7R1.1 NCC1CCCC1 W7173 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.1 NCC1CCCN1 W7106 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.1 NCC1CCCN1 W7375 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.1 NC[C@@H]1CCCN1 0819AA [1,0,0,1,0,0|2,0,0]=4 144 B7R1.1 NC[C@H]1CCCN1 Z3950 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.1 OCC1OCCO1 2093AL [1,0,0,1,0,0|1,1,0]=4 146 B7R1.1 OC[C@@H]1CCNC1 4311AA [1,0,0,1,0,0|2,0,0]=4 147 B7R1.1 OC[C@@H]1CCNC1 Z7301 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.1 OC[C@@H]1CCOC1 4598AA [1,0,0,1,0,0|2,0,0]=4 149 B7R1.1 OC[C@H]1CCNC1 1914AA [1,0,0,1,0,0|2,0,0]=4 150 B7R1.2 CN1CCC(N)C1 9936AH [1,0,0,1,0,0|2,0,0]=4 151 B7R1.2 CN1CCC(N)C1 X9823 [1,0,0,1,0,0|2,0,0]=4 152 B7R1.2 CN1CC[C@@H](N)C1 3935AE [1,0,0,1,0,0|2,0,0]=4 153 B7R1.2 NC1CCC(O)C1 X9254 [1,0,0,1,0,0|1,0,0]=3 154 B7R1.2 N[C@@H]1CC[C@H](O)C1 4920AA [1,0,0,1,0,0|1,0,0]=3 155 B7R1.2 OC1CCC(O)C1 7614AJ [1,0,0,1,0,0|0,1,0]=3 156 B7R1.3 BrC1CCCOC1 X9769 [1,0,0,1,0,0|1,0,0]=3 157 B7R1.3 BrC1CCOCC1 W4892 [1,0,0,1,0,0|1,0,0]=3 158 B7R1.3 CC1COCCN1 W6211 [1,0,0,1,0,0|2,0,0]=4 159 B7R1.3 C[C@@H]1COCCN1 X4857 [1,0,0,1,0,0|2,0,0]=4 160 B7R1.3 C[C@H]1COCCN1 X4748 [1,0,0,1,0,0|2,0,0]=4 161 B7R1.3 ClC1CCNCC1 7684AB [1,0,0,1,0,0|2,0,0]=4 162 B7R1.3 ClC1CCNCC1 Q214 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.3 NC1CCCNC1 5237AE [1,0,0,1,0,0|2,0,0]=4 164 B7R1.3 NC1CCCOC1 X9447 [1,0,0,1,0,0|1,0,0]=3 165 B7R1.3 NC1CCSCC1 W4711 [1,0,0,1,0,0|1,1,0]=4 166 B7R1.3 NN1CCCCC1 O184 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.3 N[C@@H]1CCCOC1 5857AA [1,0,0,1,0,0|1,0,0]=3 168 B7R1.3 OC1CCSCC1 W5218 [1,0,0,1,0,0|0,2,0]=4 169 B7R1.3 O[C@@H]1CCCNC1 9408AB [1,0,0,1,0,0|1,1,0]=4 170 B7R1.4 NC1CCCC1O W9232 [1,0,0,1,0,0|1,0,0]=3 171 B7R1.4 N[C@@H]1CCC[C@@H]1O V0969 [1,0,0,1,0,0|1,0,0]=3 172 B7R1.4 N[C@@H]1CCC[C@H]1O V0968 [1,0,0,1,0,0|1,0,0]=3 173 B7R1.4 N[C@@H]1COC[C@H]1O 4689AJ [1,0,0,1,0,0|2,0,0]=4 174 B7R1.4 N[C@H]1CCC[C@H]1O V0971 [1,0,0,1,0,0|1,0,0]=3 175 B7R1.4 OC1CCCC1O 5008AJ [1,0,0,1,0,0|0,1,0]=3 176 B7R1.4 O[C@@H]1CCC[C@H]1O 6973AB [1,0,0,1,0,0|0,1,0]=3 177 B7R1.4 O[C@H]1CNC[C@@H]1O Z5315 [1,0,0,1,0,0|1,1,0]=4 178 B7R1.6 OCCC1COC1 1983AB [1,0,0,1,0,0|2,0,0]=4 179 B7R1.10 CCN1CC(O)C1 4525AB [1,0,0,1,0,0|2,0,0]=4 180 B7R1.10 OCC1CC(Cl)C1 8034AA [1,0,0,1,0,0|2,0,0]=4 181 B7R1.25 CC1(CO)CSC1 5905AE [1,0,0,1,0,0|2,0,0]=4 182 B7R1.25 NCC1(O)CCC1 W3913 [1,0,0,1,0,0|1,1,0]=4 183 B7R1.7 CCCCC1CO1 4465AL [1,0,0,1,0,0|0,0,0]=2 184 B7R1.7 ClCCOC1CC1 Y8014 [1,0,0,1,0,0|2,0,0]=4 185 B9R1.2 CN1CCC[C@@H](CO)C1 2915AH [0,1,0,1,0,0|2,0,0]=4 186 B9R1.2 CN1CCC[C@H](CO)C1 2962AH [0,1,0,1,0,0|2,0,0]=4 187 B9R1.2 CN1CCOC(CN)C1 W3090 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.2 CN1CCOC(CO)C1 4763AJ [0,1,0,1,0,0|2,0,0]=4 189 B9R1.2 NCC1CCCC(O)C1 2722AA [0,1,0,1,0,0|1,0,0]=3 190 B9R1.8 BrCCC1CCOCC1 6395AB [0,1,0,1,0,0|2,0,0]=4 191 B9R1.8 CCNC1CCOCC1 0806AB [0,1,0,1,0,0|2,0,0]=4 192 B9R1.8 NCCC1CCCCC1 Z4868 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.8 NCCC1CCCCO1 1296AJ [0,1,0,1,0,0|1,1,0]=4 194 B9R1.8 NCCC1CCOCC1 V5672 [0,1,0,1,0,0|2,0,0]=4 195 B9R1.8 NCCC1CCOCC1 Z2422 [0,1,0,1,0,0|2,0,0]=4 196 B9R1.8 OCCC1CCCNC1 V3701 [0,1,0,1,0,0|1,0,0]=3 197 B9R1.8 OCCC1CCNCC1 5112AC [0,1,0,1,0,0|1,0,0]=3 198 B9R1.8 OCCC1CNCCN1 4749AE [0,1,0,1,0,0|1,0,0]=3 199 B9R1.8 OCC[C@@H]1CCCCN1 W8464 [0,1,0,1,0,0|1,0,0]=3 200 B9R1.12 CCNCC1CCCO1 8649AE [0,1,0,1,0,0|1,1,0]=4 201 B9R1.12 NCCOC1CCCC1 5277AJ [0,1,0,1,0,0|2,0,0]=4 202 B9R1.12 O=CCCC1CCCC1 5333AH [0,1,0,1,0,0|1,0,1]=4 203 B9R1.33 CN1CCCC1CCCl P743 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.49 CN1CCCC(O)CC1 W4100 [0,1,0,1,0,0|1,1,0]=4 205 B9R1.50 OC1CCCCCCC1 7963AF [0,1,0,1,0,0|1,1,0]=4 206 B9R1.69 CC1CC(N)CCN1C 5009AJ [0,1,0,1,0,0|2,0,0]=4 207 B9R1.69 CC1CCC(O)CC1C 5905AL [0,1,0,1,0,0|1,0,0]=3 208 B9R1.134 CC1(CCBr)OCCO1 4979AL [0,1,0,1,0,0|2,0,0]=4 209 B9R1.134 CC1(CCN)OCCO1 Y5491 [0,1,0,1,0,0|2,0,0]=4 210 B9R1.134 CC1(CCO)OCCO1 5579AJ [0,1,0,1,0,0|1,1,0]=4 211 B9R1.3 CC1CCCC(O)C1C 5234AL [0,1,0,1,0,0|1,0,0]=3 212 B9R1.3 OC1CCCC(O)C1O 4399AL [0,1,0,1,0,0|0,1,0]=3 213 B9R1.13 O=C(O)CC1CCCC1 2161AA [0,1,0,1,0,0|1,0,1]=4 214 B9R1.13 O=C(O)CC1CCCN1 X4013 [0,1,0,1,0,0|1,0,1]=4 215 B9R1.13 O=C(O)C[C@@H]1CCCN1 M616 [0,1,0,1,0,0|1,0,1]=4 216 B9R1.13 O=C(O)C[C@H]1CCCN1 6072AB [0,1,0,1,0,0|1,0,1]=4 217 B9R1.13 O=C(O)C[C@H]1CCCN1 9054AH [0,1,0,1,0,0|1,0,1]=4 218 B9R1.34 CC1CC(=O)CC(C)O1 1555AA [0,1,0,1,0,0|0,1,1]=4 219 B9R1.34 CC1CC(C)CC(O)C1 7861AB [0,1,0,1,0,0|1,0,0]=3 220 B9R1.34 OC1CC(O)CC(O)C1 0465AB [0,1,0,1,0,0|0,1,0]=3 221 B9R1.38 CN1C[C@H](O)C[C@]1(C)O X6514 [0,1,0,1,0,0|1,1,0]=4 222 B9R1.41 NC1CCCC1C(=O)O 3422AA [0,1,0,1,0,0|1,0,1]=4 223 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 9632AA [0,1,0,1,0,0|1,0,1]=4 224 B9R1.66 CC1(C)CC(=O)CCO1 V2429 [0,1,0,1,0,0|0,1,1]=4 225 B9R1.66 CC1(C)CC(I)CCO1 2840AJ [0,1,0,1,0,0|1,0,0]=3 226 B9R1.66 CC1(C)CC(O)CCO1 1322AJ [0,1,0,1,0,0|0,1,0]=3 227 B9R1.137 NC(CC(=O)O)C1CC1 5786AJ [0,1,0,1,0,0|1,0,1]=4 228 B9R1.89 N#CC1CCCNCC1 3271AD [0,1,0,1,0,0|2,0,0]=4 229 B9R1.89 NCC1CCCCCC1 9307AA [0,1,0,1,0,0|2,0,0]=4 230 B9R2.39 [C@H]12CC[C@H](C1)[C@H](O)C2 7931AL [0,0,0,2,0,0|1,0,0]=3 231 B9R2.109 O=C1CCCC2OC12 7860AE [0,0,0,2,0,0|0,1,1]=4 232 B9R2.3 [C@H]12CCC[C@H]1CNC2 7287AA [0,0,0,2,0,0|2,0,0]=4 233 B9R2.65 [C@@H]12CNC[C@@H]1[C@H]2CO 6216AA [0,0,0,2,0,0|2,0,0]=4 234 B9R2.87 NC(C1CC1)C2CC2 3985AJ [0,0,0,2,0,0|2,0,0]=4