0 B6R0.6 C#CCNCC#C 3288AL [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C=CCOCCCl 1941AJ [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C=CCSCCC R577 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 CCCCCC#N 8042AL [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 CCCCCSC 7567AF [0,0,0,0,0,0|4,0,0]=4 5 B6R0.6 CCCCOCC 7302AL [0,0,0,0,0,0|4,0,0]=4 6 B6R0.6 CCCCOCCl S779 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.6 CCCOCCC 7558AF [0,0,0,0,0,0|3,0,0]=3 8 B6R0.6 CCCOCCN 5789AL [0,0,0,0,0,0|3,0,0]=3 9 B6R0.6 CCCSCCC 7569AF [0,0,0,0,0,0|3,0,0]=3 10 B6R0.6 CCC\C=C/CO 7423AL [0,0,0,0,0,0|2,0,1]=3 11 B6R0.6 CCNCCCN 8239AC [0,0,0,0,0,0|4,0,0]=4 12 B6R0.6 CCNCCCO 5711AJ [0,0,0,0,0,0|3,0,0]=3 13 B6R0.6 CCOCCCO D587 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.6 CC\C=C\CCC 9219AL [0,0,0,0,0,0|3,0,1]=4 15 B6R0.6 COCCCCN AMTGC536 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.6 NCCNCCCl 8169AB [0,0,0,0,0,0|2,0,0]=2 17 B6R0.6 NCCOCCN 1537AL [0,0,0,0,0,0|3,0,0]=3 18 B6R0.6 NCCSCCN K553 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.6 NCCSCCO 8189AD [0,0,0,0,0,0|2,0,0]=2 20 B6R0.6 O=CCCCCO Z3600 [0,0,0,0,0,0|1,0,2]=3 21 B5R0.2 C#CCCCBr 9466AL [1,0,0,0,0,0|2,0,1]=4 22 B5R0.2 C=CCCCN 7616AH [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 C=CCOCC 5601AE [1,0,0,0,0,0|2,0,1]=4 24 B5R0.2 CC#CCCO 6150AL [1,0,0,0,0,0|1,0,1]=3 25 B5R0.2 CCCCOC 7303AL [1,0,0,0,0,0|3,0,0]=4 26 B5R0.2 CCCNCC 8554AL [1,0,0,0,0,0|1,0,0]=2 27 B5R0.2 CCCOCC 7892AL [1,0,0,0,0,0|2,0,0]=3 28 B5R0.2 CCCOCCl 4494AB [1,0,0,0,0,0|3,0,0]=4 29 B5R0.2 CCCSCC R576 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.2 CCOCCCl 7903AJ [1,0,0,0,0,0|2,0,0]=3 31 B5R0.2 CCOCCN 3903AD [1,0,0,0,0,0|2,0,0]=3 32 B5R0.2 CC[Se][Se]CC 7651AL [1,0,0,0,0,0|3,0,0]=4 33 B5R0.2 COCCCI 9890AH [1,0,0,0,0,0|3,0,0]=4 34 B5R0.2 ClCCOCCl 7247AA [1,0,0,0,0,0|3,0,0]=4 35 B5R0.2 OCC#CCCl 0022AQ [1,0,0,0,0,0|1,0,2]=4 36 B7R0.1 C#CCNCCCC 3830AE [0,1,0,0,0,0|2,0,1]=4 37 B7R0.1 C=CCC#CCCO 1165AQ [0,1,0,0,0,0|2,0,1]=4 38 B7R0.1 C=CCCCCCCl 5718AC [0,1,0,0,0,0|3,0,0]=4 39 B7R0.1 C=CCCCCCO 6859AL [0,1,0,0,0,0|2,0,0]=3 40 B7R0.1 C=CCNCCC#N 0988AE [0,1,0,0,0,0|2,0,1]=4 41 B7R0.1 CCCCCC[Mg]Br 8700AJ [0,1,0,0,0,0|3,0,0]=4 42 B7R0.1 CCCCOCCCl 5574AL [0,1,0,0,0,0|3,0,0]=4 43 B7R0.1 CCCCOCCN 7133AE [0,1,0,0,0,0|3,0,0]=4 44 B7R0.1 CCCC\C=C\CO 9204AL [0,1,0,0,0,0|2,0,1]=4 45 B7R0.1 CCCNCCCO 2264AL [0,1,0,0,0,0|1,0,0]=2 46 B7R0.1 CCCNCCOC X4577 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.1 CNCCCCOC AMTGC537 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.1 COCCOCCCl AMTGC469 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.1 COCCOCCS 1037AQ [0,1,0,0,0,0|1,1,0]=3 50 B7R0.1 N#CCCCCCN 7503AF [0,1,0,0,0,0|3,0,0]=4 51 B7R0.1 N#CCCSCCO 4958AD [0,1,0,0,0,0|2,0,0]=3 52 B7R0.1 O=CCCCCCCl Y9332 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.1 OCC#CC#CCO 7659AF [0,1,0,0,0,0|1,0,2]=4 54 B7R0.1 OCCCNCCO 2316AL [0,1,0,0,0,0|0,0,0]=1 55 B7R0.1 OCC\C=C\CCO 0001AQ [0,1,0,0,0,0|1,0,0]=2 56 B7R0.3 C#CCOC(C)CO X0064 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.3 CCC(=O)NCCN 3366AF [0,1,0,0,0,0|2,0,1]=4 58 B7R0.3 CCC(Cl)CCCCl 4475AE [0,1,0,0,0,0|3,0,0]=4 59 B7R0.3 CCCCC(C)CC 6251AE [0,1,0,0,0,0|3,0,0]=4 60 B7R0.3 CCCCC(O)CC 8762AB [0,1,0,0,0,0|3,0,0]=4 61 B7R0.3 CCCNC(=O)CN V6930 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.3 CCCNC(C)CC 2356AE [0,1,0,0,0,0|2,0,0]=3 63 B7R0.3 CCN(C)CCCO 4272AE [0,1,0,0,0,0|3,0,0]=4 64 B7R0.3 NCC(=O)NCCO 0947AF [0,1,0,0,0,0|1,0,1]=3 65 B7R0.4 C#CCNCC(C)C 7082AC [0,1,0,0,0,0|2,0,1]=4 66 B7R0.4 CC(C)CCCCO 6988AE [0,1,0,0,0,0|2,0,0]=3 67 B7R0.4 CC(C)COCCN 0042AD [0,1,0,0,0,0|3,0,0]=4 68 B7R0.4 CC(C)CSCCO 5051AL [0,1,0,0,0,0|2,0,0]=3 69 B7R0.4 CC(C)OCCCO 9315AD [0,1,0,0,0,0|3,0,0]=4 70 B7R0.4 CC(O)CNCCO 7542AE [0,1,0,0,0,0|0,0,0]=1 71 B7R0.4 CCCCCC(C)C 5733AL [0,1,0,0,0,0|3,0,0]=4 72 B7R0.4 CCCCCC(C)Cl 5577AL [0,1,0,0,0,0|3,0,0]=4 73 B7R0.4 CCCSCC(=O)O 6980AD [0,1,0,0,0,0|2,0,1]=4 74 B7R0.4 NC(=O)CSCCO 6778AD [0,1,0,0,0,0|1,0,2]=4 75 B7R0.7 CCCC(C)CCO 6091AL [0,1,0,0,0,0|2,0,0]=3 76 B7R0.7 CCCN(C)CCC 0883AE [0,1,0,0,0,0|2,0,0]=3 77 B7R0.7 CCNC(C)CCO 9482AE [0,1,0,0,0,0|3,0,0]=4 78 B7R0.7 O=C(CCO)CCO 5879AB [0,1,0,0,0,0|1,0,0]=2 79 B7R1.1 BrCC1CCCN1 6324AA [0,0,0,1,0,0|2,0,0]=3 80 B7R1.1 CCC1CCCC1 7901AL [0,0,0,1,0,0|3,0,0]=4 81 B7R1.1 CCC1CCCN1 7143AC [0,0,0,1,0,0|2,0,0]=3 82 B7R1.1 ClCC1CCCC1 Z6552 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.1 ClC[C@@H]1CCCN1 4318AB [0,0,0,1,0,0|2,0,0]=3 84 B7R1.1 ClC[C@@H]1CCCN1 9398AA [0,0,0,1,0,0|2,0,0]=3 85 B7R1.1 ICC1CCCC1 Y8539 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.1 N#C[C@@H]1CCCN1 K817 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.1 NCC1CCCC1 3974AJ [0,0,0,1,0,0|3,0,0]=4 88 B7R1.1 NCC1OCCO1 6055AB [0,0,0,1,0,0|2,0,0]=3 89 B7R1.1 NC[C@@H]1CCCN1 O008 [0,0,0,1,0,0|2,0,0]=3 90 B7R1.1 NC[C@@H]1CCCO1 Z5557 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.1 NC[C@H]1CCCN1 1217AC [0,0,0,1,0,0|2,0,0]=3 92 B7R1.1 NC[C@H]1CCCN1 Z3950 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.1 OCC1CCNC1 W6601 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.1 OCC1CCNC1 W7609 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.1 OC[C@@H]1CCNC1 4311AA [0,0,0,1,0,0|3,0,0]=4 96 B7R1.1 OC[C@@H]1CCOC1 3014AD [0,0,0,1,0,0|3,0,0]=4 97 B7R1.1 OC[C@H]1CCOC1 3025AD [0,0,0,1,0,0|3,0,0]=4 98 B7R1.3 BrC1CCCOC1 X9769 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.3 CC1=CCCNC1 V9748 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.3 CC1CCCCN1 7117AB [0,0,0,1,0,0|3,0,0]=4 101 B7R1.3 CC1CCOCO1 8171AJ [0,0,0,1,0,0|3,0,0]=4 102 B7R1.3 C[C@H]1CNCCO1 W8218 [0,0,0,1,0,0|1,0,0]=2 103 B7R1.3 FC1CCCCC1 1850AE [0,0,0,1,0,0|3,0,0]=4 104 B7R1.3 NC1CCCOC1 X9447 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.3 N[C@H]1CCCNC1 Y4134 [0,0,0,1,0,0|2,0,0]=3 106 B7R1.4 BrC1CCCC1Br 3089AB [0,0,0,1,0,0|3,0,0]=4 107 B7R1.4 CC1CCCC1N 5365AE [0,0,0,1,0,0|3,0,0]=4 108 B7R1.4 C[C@@H]1CCC[C@@H]1O 3213AL [0,0,0,1,0,0|2,0,0]=3 109 B7R1.4 NC1COCC1O 5780AA [0,0,0,1,0,0|2,0,0]=3 110 B7R1.4 NC1CSCC1O 0027AD [0,0,0,1,0,0|2,0,0]=3 111 B7R1.4 N[C@@H]1COC[C@H]1O 8700AH [0,0,0,1,0,0|2,0,0]=3 112 B7R1.4 N[C@H]1COC[C@@H]1O 4688AJ [0,0,0,1,0,0|2,0,0]=3 113 B7R1.4 N[C@H]1COC[C@@H]1O 8683AH [0,0,0,1,0,0|2,0,0]=3 114 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [0,0,0,1,0,0|1,0,0]=2 115 B7R1.4 O[C@H]1CNC[C@@H]1O Z4539 [0,0,0,1,0,0|0,0,0]=1 116 B7R1.6 ClCCN1CCC1 2792AA [0,0,0,1,0,0|2,0,0]=3 117 B7R1.6 OCCC1COC1 1983AB [0,0,0,1,0,0|3,0,0]=4 118 B7R1.6 OCCN1CCC1 0462AC [0,0,0,1,0,0|1,0,0]=2 119 B7R1.7 CCOCC1CO1 7875AL [0,0,0,1,0,0|3,0,0]=4 120 B7R1.7 ClCCOC1CC1 Y8014 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.7 OCCNC1CC1 V5433 [0,0,0,1,0,0|1,0,0]=2 122 B7R1.24 C1=CCCCCC1 7508AL [0,0,0,1,0,0|3,0,0]=4 123 B4R0.2 CCCCF 8004AD [2,0,0,0,0,0|1,0,0]=3 124 B4R0.2 CCCCN 7306AL [2,0,0,0,0,0|1,0,0]=3 125 B4R0.2 CCCNN 4415AE [2,0,0,0,0,0|2,0,0]=4 126 B4R0.2 CCCOC 4896AL [2,0,0,0,0,0|2,0,0]=4 127 B4R0.2 CCCSC U677 [2,0,0,0,0,0|2,0,0]=4 128 B4R0.2 CCNCC 7650AL [2,0,0,0,0,0|0,0,0]=2 129 B4R0.2 CNCC#N 8258AL [2,0,0,0,0,0|1,0,1]=4 130 B4R0.2 CSCCCl 7809AB [2,0,0,0,0,0|2,0,0]=4 131 B4R0.2 C\C=C/CC 7428AL [2,0,0,0,0,0|1,0,1]=4 132 B6R0.1 CCCC(Br)CC 3975AB [1,1,0,0,0,0|2,0,0]=4 133 B6R0.1 CCCC(C)CC 7810AF [1,1,0,0,0,0|2,0,0]=4 134 B6R0.1 CCCC(C)CO 1207AA [1,1,0,0,0,0|1,0,0]=3 135 B6R0.1 CCCC(O)CC 7557AF [1,1,0,0,0,0|2,0,0]=4 136 B6R0.1 CCNC(C)CC 7145AD [1,1,0,0,0,0|1,0,0]=3 137 B6R0.1 CCOC(C)CN 0082AD [1,1,0,0,0,0|2,0,0]=4 138 B6R0.1 CCOC(C)CN Y4465 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.1 CC[C@H](C)CCO 4202AL [1,1,0,0,0,0|1,0,0]=3 140 B6R0.1 CNC(=O)CCO 8079AE [1,1,0,0,0,0|2,0,0]=4 141 B6R0.1 C[C@H](CO)CCO 1249AL [1,1,0,0,0,0|0,0,0]=2 142 B6R0.1 OC(CCl)CCCl 4625AL [1,1,0,0,0,0|2,0,0]=4 143 B6R0.1 O[C@H](CBr)CCBr 9809AB [1,1,0,0,0,0|2,0,0]=4 144 B6R0.4 C=C(C)CCCO 2774AL [1,1,0,0,0,0|1,0,1]=4 145 B6R0.4 CC(=O)NCCCl W8163 [1,1,0,0,0,0|1,0,1]=4 146 B6R0.4 CC(C)CCCCl 6814AE [1,1,0,0,0,0|2,0,0]=4 147 B6R0.4 CC(C)CCCN 7575AF [1,1,0,0,0,0|2,0,0]=4 148 B6R0.4 CC(C)NCC#N Y7768 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.4 CC(C)NCCCl 9576AB [1,1,0,0,0,0|1,0,0]=3 150 B6R0.4 CC(C)OCCN 2664AC [1,1,0,0,0,0|2,0,0]=4 151 B6R0.4 CCCCC(C)C 5734AL [1,1,0,0,0,0|2,0,0]=4 152 B6R0.4 CCCCC(C)Cl 5578AL [1,1,0,0,0,0|2,0,0]=4 153 B6R0.4 CCCCC(C)O 9467AB [1,1,0,0,0,0|1,0,0]=3 154 B6R0.4 CCCNC(C)C 7560AH [1,1,0,0,0,0|1,0,0]=3 155 B6R0.4 CCCSC(C)C 8111AL [1,1,0,0,0,0|2,0,0]=4 156 B6R0.4 CCNCC(=O)O X5133 [1,1,0,0,0,0|0,0,1]=3 157 B6R0.4 CCNCC(C)O 2626AE [1,1,0,0,0,0|0,0,0]=2 158 B6R0.4 N=C(N)NCCO 7232AE [1,1,0,0,0,0|1,0,1]=4 159 B6R0.4 O=C(O)CCCS 7264AF [1,1,0,0,0,0|0,1,1]=4 160 B8R0.1 CCCNC(=O)CCN 2039AD [0,2,0,0,0,0|2,0,0]=4 161 B8R0.1 CNCC(=O)NCCO 2049AD [0,2,0,0,0,0|1,0,1]=4 162 B8R0.1 NCCC(=O)NCCO 2327AD [0,2,0,0,0,0|1,0,0]=3 163 B8R0.4 C=CCCCCCCO 6892AL [0,2,0,0,0,0|2,0,0]=4 164 B8R0.4 CCCCCOCCO 6511AH [0,2,0,0,0,0|2,0,0]=4 165 B8R0.4 CCCNCCCNC 4534AE [0,2,0,0,0,0|2,0,0]=4 166 B8R0.4 CC\C=C/CCCCO 7454AL [0,2,0,0,0,0|2,0,0]=4 167 B8R0.4 CNCCCCCCO 4396AE [0,2,0,0,0,0|2,0,0]=4 168 B8R0.4 COCCCCCOC 4651AL [0,2,0,0,0,0|1,0,0]=3 169 B8R0.4 COCCNCCCN 6292AD [0,2,0,0,0,0|1,0,0]=3 170 B8R0.4 COCCOCCCBr 5812AL [0,2,0,0,0,0|2,0,0]=4 171 B8R0.4 N#CCCNCCCO 0976AE [0,2,0,0,0,0|1,0,0]=3 172 B8R0.4 NCCCNCCCO 2647AE [0,2,0,0,0,0|1,0,0]=3 173 B8R0.4 OCCCNCCCO Y7497 [0,2,0,0,0,0|0,0,0]=2 174 B8R0.6 C#C[C@@H](O)CCCCC 4835AJ [0,2,0,0,0,0|2,0,0]=4 175 B8R0.6 CCC(C)NCCC#N 7315AD [0,2,0,0,0,0|2,0,0]=4 176 B8R0.6 CCC(C)NCCCN 0775AF [0,2,0,0,0,0|2,0,0]=4 177 B8R0.6 COC(=O)CCCCO Z9406 [0,2,0,0,0,0|1,0,1]=4 178 B8R0.6 COCCNC(=O)CN 2350AD [0,2,0,0,0,0|1,0,1]=4 179 B8R0.6 NCC(=O)NCCCO 2231AD [0,2,0,0,0,0|1,0,1]=4 180 B8R0.6 NCCCC[C@H](N)CO 1979AA [0,2,0,0,0,0|2,0,0]=4 181 B8R0.7 CC(C)CNCCCO 9143AD [0,2,0,0,0,0|1,0,0]=3 182 B8R0.7 CCCCCC[C@H](C)O D263 [0,2,0,0,0,0|2,0,0]=4 183 B8R0.7 CN(C)CCNCCO 2146AE [0,2,0,0,0,0|1,0,0]=3 184 B8R0.7 NC(=O)CCCCCO 3555AJ [0,2,0,0,0,0|1,0,1]=4 185 B8R0.7 NCCCNCC(=O)O 8332AL [0,2,0,0,0,0|1,0,1]=4 186 B8R0.7 O=C([O-])CCCCCO 0762AP [0,2,0,0,0,0|1,0,1]=4 187 B8R0.7 OB(O)CCCCCBr Z8265 [0,2,0,0,0,0|2,0,0]=4 188 B8R0.3 CN(CCO)C(=O)CN 2090AD [0,2,0,0,0,0|1,0,1]=4 189 B8R0.8 CC(N)C(=O)NCCO 2846AD [0,2,0,0,0,0|1,0,1]=4 190 B8R0.8 CCCNC(C)C(C)C 2359AE [0,2,0,0,0,0|2,0,0]=4 191 B8R0.9 CCC(C)CCC(C)O 6794AL [0,2,0,0,0,0|2,0,0]=4 192 B8R0.11 CCCCC(CO)CO 2148AL [0,2,0,0,0,0|2,0,0]=4 193 B8R0.5 CC(O)CN(C)CCO AMTGC580 [0,2,0,0,0,0|0,0,0]=2 194 B8R0.22 CCCN(CCC)N=O 8613AL [0,2,0,0,0,0|2,0,0]=4 195 B6R1.1 C1CCNNC1 6958AB [1,0,0,1,0,0|2,0,0]=4 196 B6R1.1 C1CCONC1 1721AE [1,0,0,1,0,0|1,0,0]=3 197 B6R1.1 C1COCCO1 7285AL [1,0,0,1,0,0|1,0,0]=3 198 B6R1.1 C1CSCCN1 8883AB [1,0,0,1,0,0|0,1,0]=3 199 B6R1.2 CC1CCCN1 0591AQ [1,0,0,1,0,0|1,0,0]=3 200 B6R1.2 CC1CCCS1 7972AJ [1,0,0,1,0,0|1,1,0]=4 201 B6R1.2 CC1CCNC1 X9461 [1,0,0,1,0,0|1,0,0]=3 202 B6R1.2 CC1CCOC1 6124AL [1,0,0,1,0,0|2,0,0]=4 203 B6R1.2 CC1COCO1 6593AL [1,0,0,1,0,0|2,0,0]=4 204 B6R1.2 CC1OCCO1 7260AF [1,0,0,1,0,0|1,0,0]=3 205 B6R1.2 C[C@@H]1CCNC1 1585AB [1,0,0,1,0,0|1,0,0]=3 206 B6R1.2 C[C@H]1CCNC1 W4034 [1,0,0,1,0,0|1,0,0]=3 207 B6R1.2 FC1CCCC1 7941AL [1,0,0,1,0,0|2,0,0]=4 208 B6R1.2 FC1CCNC1 X9172 [1,0,0,1,0,0|1,0,0]=3 209 B6R1.2 F[C@H]1CCNC1 9169AH [1,0,0,1,0,0|1,0,0]=3 210 B6R1.2 NC1CCOC1 W9158 [1,0,0,1,0,0|2,0,0]=4 211 B6R1.2 N[C@H]1CCNC1 N118 [1,0,0,1,0,0|1,0,0]=3 212 B6R1.2 O[C@@H]1CCSC1 1245AL [1,0,0,1,0,0|1,0,0]=3 213 B6R1.2 O[C@H]1CCSC1 Y1948 [1,0,0,1,0,0|1,0,0]=3 214 B6R1.2 S=C1NCCO1 1519AL [1,0,0,1,0,0|0,1,1]=4 215 B6R1.3 CCCC1CO1 4468AL [1,0,0,1,0,0|1,0,0]=3 216 B6R1.3 CCNC1CC1 2347AB [1,0,0,1,0,0|1,0,0]=3 217 B6R1.3 CCNC1CC1 3977AJ [1,0,0,1,0,0|1,0,0]=3 218 B6R1.3 CCNC1CC1 4401AJ [1,0,0,1,0,0|1,0,0]=3 219 B6R1.3 COCC1CO1 1812AL [1,0,0,1,0,0|2,0,0]=4 220 B6R1.3 COC[C@@H]1CO1 9238AJ [1,0,0,1,0,0|2,0,0]=4 221 B6R1.3 COC[C@H]1CO1 9221AJ [1,0,0,1,0,0|2,0,0]=4 222 B6R1.3 ICCC1CC1 8514AH [1,0,0,1,0,0|2,0,0]=4 223 B6R1.3 OCCC1CC1 8510AD [1,0,0,1,0,0|1,0,0]=3 224 B6R1.6 BrCC1CCO1 6025AC [1,0,0,1,0,0|1,0,0]=3 225 B6R1.6 ICC1CCO1 1038AD [1,0,0,1,0,0|1,0,0]=3 226 B6R1.6 NCC1CCN1 0858AA [1,0,0,1,0,0|1,0,0]=3 227 B6R1.6 NCC1CCN1 6521AH [1,0,0,1,0,0|1,0,0]=3 228 B6R1.6 NCC1CCO1 V8594 [1,0,0,1,0,0|1,0,0]=3 229 B6R1.6 OCC1CCN1 Z3841 [1,0,0,1,0,0|0,0,0]=2 230 B8R1.2 BrCC1CCCCN1 4115AB [0,1,0,1,0,0|2,0,0]=4 231 B8R1.2 BrCC1CCCOC1 2659AA [0,1,0,1,0,0|2,0,0]=4 232 B8R1.2 CCC1CCCNC1 6423AA [0,1,0,1,0,0|2,0,0]=4 233 B8R1.2 CCC1CNCCN1 Y7494 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.2 CC[C@@H]1CCCCN1 0072AQ [0,1,0,1,0,0|2,0,0]=4 235 B8R1.2 CC[C@@H]1CNCCN1 9227AJ [0,1,0,1,0,0|2,0,0]=4 236 B8R1.2 CC[C@H]1CNCCN1 5419AA [0,1,0,1,0,0|2,0,0]=4 237 B8R1.2 CC[C@H]1COCCN1 1076AB [0,1,0,1,0,0|1,0,0]=3 238 B8R1.2 CNC1CCCNC1 7535AA [0,1,0,1,0,0|2,0,0]=4 239 B8R1.2 COC1CCCCC1 7515AL [0,1,0,1,0,0|2,0,0]=4 240 B8R1.2 ClCC1COCCO1 7155AD [0,1,0,1,0,0|2,0,0]=4 241 B8R1.2 FCC1CCCCN1 1886AF [0,1,0,1,0,0|2,0,0]=4 242 B8R1.2 N#CC1CCCNC1 W8248 [0,1,0,1,0,0|2,0,0]=4 243 B8R1.2 N#CC1CNCCO1 3567AA [0,1,0,1,0,0|1,0,0]=3 244 B8R1.2 N#C[C@@H]1CNCCN1 3771AA [0,1,0,1,0,0|2,0,0]=4 245 B8R1.2 NCC1CCCCN1 8197AB [0,1,0,1,0,0|2,0,0]=4 246 B8R1.2 NCC1CCCCO1 Y9814 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.2 NCC1CNCCO1 Z7761 [0,1,0,1,0,0|1,0,0]=3 248 B8R1.2 NCC1COCCO1 4083AC [0,1,0,1,0,0|2,0,0]=4 249 B8R1.2 NC[C@H]1COCCO1 9210AH [0,1,0,1,0,0|2,0,0]=4 250 B8R1.2 O=CC1CCCNC1 4398AB [0,1,0,1,0,0|1,0,1]=4 251 B8R1.2 OCC1CCCNC1 W3153 [0,1,0,1,0,0|1,0,0]=3 252 B8R1.2 OCC1CCNCC1 J70061 [0,1,0,1,0,0|2,0,0]=4 253 B8R1.2 OCC1CCOCO1 6434AB [0,1,0,1,0,0|1,0,0]=3 254 B8R1.2 OCC1CCSCC1 Y6767 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.2 OCC1CNCCN1 4453AJ [0,1,0,1,0,0|1,0,0]=3 256 B8R1.2 OC[C@@H]1CNCCN1 W3264 [0,1,0,1,0,0|1,0,0]=3 257 B8R1.2 OC[C@@H]1COCCN1 X9480 [0,1,0,1,0,0|0,0,0]=2 258 B8R1.2 OC[C@H]1CNCCO1 W3408 [0,1,0,1,0,0|0,0,0]=2 259 B8R1.2 OC[C@H]1COCCO1 8565AH [0,1,0,1,0,0|1,0,0]=3 260 B8R1.5 CC1CCCNC1C 7615AB [0,1,0,1,0,0|2,0,0]=4 261 B8R1.5 CC1CCNCC1O 2895AJ [0,1,0,1,0,0|1,0,0]=3 262 B8R1.5 CC1CNCCC1O 3930AB [0,1,0,1,0,0|1,0,0]=3 263 B8R1.5 CC1COCCC1O 2365AJ [0,1,0,1,0,0|2,0,0]=4 264 B8R1.5 CC1OCCNC1=O 5590AJ [0,1,0,1,0,0|1,0,1]=4 265 B8R1.5 C[C@@H]1CCCC[C@@H]1O 7425AL [0,1,0,1,0,0|2,0,0]=4 266 B8R1.5 C[C@@H]1CCNC[C@H]1O 4686AJ [0,1,0,1,0,0|1,0,0]=3 267 B8R1.5 C[C@@H]1CNCCN1C 8539AH [0,1,0,1,0,0|2,0,0]=4 268 B8R1.5 C[C@@H]1CNCCN1C 8540AH [0,1,0,1,0,0|2,0,0]=4 269 B8R1.5 C[C@H]1CNCCN1C 9092AH [0,1,0,1,0,0|2,0,0]=4 270 B8R1.5 Cl[C@@H]1OCCO[C@H]1Cl 9197AL [0,1,0,1,0,0|2,0,0]=4 271 B8R1.5 NC1CCNCC1O 0385AQ [0,1,0,1,0,0|1,0,0]=3 272 B8R1.5 NC1COCCC1O Y6179 [0,1,0,1,0,0|2,0,0]=4 273 B8R1.5 N[C@H]1CCCC[C@H]1O 0705AC [0,1,0,1,0,0|2,0,0]=4 274 B8R1.5 O[C@@H]1CCCC[C@H]1F 0067AC [0,1,0,1,0,0|2,0,0]=4 275 B8R1.5 O[C@H]1CCNC[C@@H]1O 5210AB [0,1,0,1,0,0|0,0,0]=2 276 B8R1.8 BrCCN1CCCC1 1440AA [0,1,0,1,0,0|2,0,0]=4 277 B8R1.8 BrCCN1CCCC1 2569AC [0,1,0,1,0,0|2,0,0]=4 278 B8R1.8 BrCCN1CCCC1 7750AB [0,1,0,1,0,0|2,0,0]=4 279 B8R1.8 CCCC1=NCCN1 5769AL [0,1,0,1,0,0|2,0,0]=4 280 B8R1.8 CCCC1=NCCO1 5790AL [0,1,0,1,0,0|1,0,1]=4 281 B8R1.8 ClCCN1CCCC1 6952AB [0,1,0,1,0,0|2,0,0]=4 282 B8R1.8 N#CCC1OCCO1 3973AL [0,1,0,1,0,0|2,0,0]=4 283 B8R1.8 NCCC1OCCO1 8480AB [0,1,0,1,0,0|2,0,0]=4 284 B8R1.8 OCCC1CCNC1 1286AJ [0,1,0,1,0,0|2,0,0]=4 285 B8R1.8 OCCN1CCCC1 3251AB [0,1,0,1,0,0|1,0,0]=3 286 B8R1.11 C#CC1CCCC1O 5544AJ [0,1,0,1,0,0|2,0,0]=4 287 B8R1.11 CN1CCCC1CCl 1254AJ [0,1,0,1,0,0|2,0,0]=4 288 B8R1.11 CN1CCCC1CN X2049 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.11 CN1CCC[C@H]1CN 0204AC [0,1,0,1,0,0|2,0,0]=4 290 B8R1.11 C[C@H]1CNC[C@@H]1CO Z5382 [0,1,0,1,0,0|1,0,0]=3 291 B8R1.11 NC1CCCC1CO 6199AB [0,1,0,1,0,0|2,0,0]=4 292 B8R1.11 N[C@H]1CCC[C@H]1CO 5457AB [0,1,0,1,0,0|2,0,0]=4 293 B8R1.11 OCC1CCCC1O 0756AC [0,1,0,1,0,0|1,0,0]=3 294 B8R1.22 CC1CCNCCN1 W4646 [0,1,0,1,0,0|2,0,0]=4 295 B8R1.22 CC1CNCCCN1 0125AC [0,1,0,1,0,0|2,0,0]=4 296 B8R1.22 NC1CCCCNC1 3820AJ [0,1,0,1,0,0|2,0,0]=4 297 B8R1.22 NN1CCCCCC1 4752AL [0,1,0,1,0,0|2,0,0]=4 298 B8R1.22 N[C@H]1CCCCNC1 1604AA [0,1,0,1,0,0|2,0,0]=4 299 B8R1.22 O=C1CCCNCC1 X2001 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.22 O=C1CCNCCN1 W5590 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.22 O=C1CCOCCO1 4654AL [0,1,0,1,0,0|1,0,1]=4 302 B8R1.22 OC1CNCCOC1 9639AH [0,1,0,1,0,0|0,0,0]=2 303 B8R1.22 O[C@@H]1CNCCOC1 8939AH [0,1,0,1,0,0|0,0,0]=2 304 B8R1.1 OCC1CCC(O)C1 W1894 [0,1,0,1,0,0|1,0,0]=3 305 B8R1.3 CC1CNC(=O)CO1 6453AJ [0,1,0,1,0,0|1,0,1]=4 306 B8R1.3 NC1CCC(O)CC1 W7862 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.3 O[C@H]1CC[C@@H](O)CC1 U023 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.50 OC1OC[C@H](O)[C@H]1O 6453AC [0,1,0,1,0,0|1,0,0]=3 310 B8R1.52 CC1(CBr)OCCO1 0485AE [0,1,0,1,0,0|2,0,0]=4 311 B8R1.52 CC1(CN)CCCO1 1153AC [0,1,0,1,0,0|2,0,0]=4 312 B8R1.52 CC1(CO)OCCO1 0058AA [0,1,0,1,0,0|1,0,0]=3 313 B8R1.52 NC1(CO)CCCC1 0753AA [0,1,0,1,0,0|2,0,0]=4 314 B8R1.4 CC1CC(N)CCO1 1818AJ [0,1,0,1,0,0|2,0,0]=4 315 B8R1.4 CC1CN(C)CCN1 Z2448 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.4 CN1CCC[C@@H](N)C1 8990AH [0,1,0,1,0,0|2,0,0]=4 317 B8R1.4 CN1CCC[C@@H](O)C1 Z2109 [0,1,0,1,0,0|1,0,0]=3 318 B8R1.4 CN1CCC[C@H](N)C1 9156AH [0,1,0,1,0,0|2,0,0]=4 319 B8R1.4 CN1CCC[C@H](O)C1 Z2139 [0,1,0,1,0,0|1,0,0]=3 320 B8R1.4 C[C@@H]1CN(C)CCN1 8938AH [0,1,0,1,0,0|2,0,0]=4 321 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 1079AL [0,1,0,1,0,0|2,0,0]=4 322 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 8828AA [0,1,0,1,0,0|1,0,0]=3 323 B8R1.4 O[C@@H]1CCC[C@@H](O)C1 9191AL [0,1,0,1,0,0|1,0,0]=3 324 B8R1.4 O[C@H]1CCC[C@@H](O)C1 7408AL [0,1,0,1,0,0|1,0,0]=3 325 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [0,1,0,1,0,0|1,0,1]=4 326 B8R1.35 CC(C)CNC1CC1 7259AJ [0,1,0,1,0,0|2,0,0]=4 327 B8R1.35 O=C(O)CNC1CC1 0701AA [0,1,0,1,0,0|1,0,1]=4 328 B8R2.34 C12CCC(CC1)O2 6894AL [0,0,0,2,0,0|2,0,0]=4 329 B8R2.34 C1CC2CC1CN2 Z4541 [0,0,0,2,0,0|2,0,0]=4 330 B8R2.34 [C@@H]12CO[C@@H](CN1)C2 8386AH [0,0,0,2,0,0|1,0,0]=3 331 B8R2.18 OC1CC2CC2C1 4817AC [0,0,0,2,0,0|2,0,0]=4 332 B8R2.23 C1NCC2CC1O2 3619AJ [0,0,0,2,0,0|1,0,0]=3 333 B8R2.24 C1CC1NC2CC2 Z4488 [0,0,0,2,0,0|2,0,0]=4