0 B5R0.2 C#CCCCBr 9466AL [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 C=CCCC#N 8813AB [0,0,0,0,0,0|1,0,3]=4 2 B5R0.2 C=CCCCN 7616AH [0,0,0,0,0,0|1,0,1]=2 3 B5R0.2 C=CCCON 2267AA [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 C=CCOCC 5601AE [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 C=CCSSC 7031AL [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 CC#CCCO 6150AL [0,0,0,0,0,0|2,0,1]=3 7 B5R0.2 CCCCOC 7303AL [0,0,0,0,0,0|1,1,0]=2 8 B5R0.2 CCCNCC 8554AL [0,0,0,0,0,0|3,0,0]=3 9 B5R0.2 CCCOCC 7892AL [0,0,0,0,0,0|3,0,0]=3 10 B5R0.2 CCCOCCl 4494AB [0,0,0,0,0,0|3,0,0]=3 11 B5R0.2 CCCSCC R576 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 CCOCCCl 7903AJ [0,0,0,0,0,0|3,0,0]=3 13 B5R0.2 CCOCCN 3903AD [0,0,0,0,0,0|2,0,0]=2 14 B5R0.2 CC[Se][Se]CC 7651AL [0,0,0,0,0,0|4,0,0]=4 15 B5R0.2 CNCCSC 7146AJ [0,0,0,0,0,0|2,0,0]=2 16 B5R0.2 COCCCI 9890AH [0,0,0,0,0,0|1,1,0]=2 17 B5R0.2 COCCON Y9404 [0,0,0,0,0,0|1,1,0]=2 18 B5R0.2 COCN=C=S 6701AD [0,0,0,0,0,0|2,1,1]=4 19 B5R0.2 ClCCOCCl 7247AA [0,0,0,0,0,0|4,0,0]=4 20 B5R0.2 NCC#CCCl 5604AH [0,0,0,0,0,0|2,0,2]=4 21 B5R0.2 NC\C=C/CN Z2171 [0,0,0,0,0,0|2,0,2]=4 22 B5R0.2 NOC\C=C\Cl 3995AC [0,0,0,0,0,0|3,0,1]=4 23 B5R0.2 NOC\C=C\Cl 6798AC [0,0,0,0,0,0|3,0,1]=4 24 B5R0.2 [C-]#[N+]CCOC V5938 [0,0,0,0,0,0|2,1,0]=3 25 B5R0.2 [N-]=[N+]=NCCN 9854AL [0,0,0,0,0,0|3,0,0]=3 26 B4R0.2 C#CCCI 6186AJ [1,0,0,0,0,0|1,0,2]=4 27 B4R0.2 C#CCON 4433AJ [1,0,0,0,0,0|1,0,2]=4 28 B4R0.2 CCCCF 8004AD [1,0,0,0,0,0|1,0,0]=2 29 B4R0.2 CCCCN 7306AL [1,0,0,0,0,0|0,0,0]=1 30 B4R0.2 CCCNN 4415AE [1,0,0,0,0,0|1,0,0]=2 31 B4R0.2 CCCOC 4896AL [1,0,0,0,0,0|0,1,0]=2 32 B4R0.2 CCCSC U677 [1,0,0,0,0,0|0,0,0]=1 33 B4R0.2 CCNCC 7650AL [1,0,0,0,0,0|2,0,0]=3 34 B4R0.2 CNCC#N 8258AL [1,0,0,0,0,0|1,0,2]=4 35 B4R0.2 CSCCCl 7809AB [1,0,0,0,0,0|1,0,0]=2 36 B4R0.2 C\C=C/CC 7428AL [1,0,0,0,0,0|1,0,1]=3 37 B4R0.2 C\C=C\SC AMTGC066 [1,0,0,0,0,0|0,0,2]=3 38 B4R0.2 N#CCCS 0102AP [1,0,0,0,0,0|0,0,2]=3 39 B4R0.2 NCCON 7871AA [1,0,0,0,0,0|1,1,0]=3 40 B4R0.2 NCCON W5869 [1,0,0,0,0,0|1,1,0]=3 41 B6R0.1 C#CC(O)CCC X7102 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.1 C#CCC(O)CC 6781AL [0,1,0,0,0,0|2,0,1]=4 43 B6R0.1 C=CC(C)CCC 6092AL [0,1,0,0,0,0|2,0,1]=4 44 B6R0.1 CCC(=O)CSC K829 [0,1,0,0,0,0|1,0,1]=3 45 B6R0.1 CCC(O)CNN 2943AE [0,1,0,0,0,0|2,0,0]=3 46 B6R0.1 CCCC(=O)SC 8847AJ [0,1,0,0,0,0|1,0,1]=3 47 B6R0.1 CCCC(Br)CC 3975AB [0,1,0,0,0,0|2,0,0]=3 48 B6R0.1 CCCC(C)CC 7810AF [0,1,0,0,0,0|2,0,0]=3 49 B6R0.1 CCCC(C)CO 1207AA [0,1,0,0,0,0|2,0,0]=3 50 B6R0.1 CCCC(O)CC 7557AF [0,1,0,0,0,0|2,0,0]=3 51 B6R0.1 CCNC(C)CC 7145AD [0,1,0,0,0,0|3,0,0]=4 52 B6R0.1 CCOC(C)CN 0082AD [0,1,0,0,0,0|2,0,0]=3 53 B6R0.1 CCOC(C)CN Y4465 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.1 CC[C@@H](N)COC 8948AH [0,1,0,0,0,0|1,1,0]=3 55 B6R0.1 CC[C@H](C)CCO 4202AL [0,1,0,0,0,0|2,0,0]=3 56 B6R0.1 CC[C@H](N)COC 9106AH [0,1,0,0,0,0|1,1,0]=3 57 B6R0.1 CNC(=O)CCN 4757AE [0,1,0,0,0,0|1,0,1]=3 58 B6R0.1 CNC(=O)CCO 8079AE [0,1,0,0,0,0|2,0,1]=4 59 B6R0.1 CNCC(C)OC 1691AF [0,1,0,0,0,0|2,1,0]=4 60 B6R0.1 COC(=O)CCCl X6204 [0,1,0,0,0,0|1,1,1]=4 61 B6R0.1 C[C@H](CO)CCO 1249AL [0,1,0,0,0,0|3,0,0]=4 62 B6R0.1 N#CCC(O)CCl R248 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.1 OC(CCl)CCCl 4625AL [0,1,0,0,0,0|3,0,0]=4 64 B6R0.1 O[C@H](CBr)CCBr 9809AB [0,1,0,0,0,0|3,0,0]=4 65 B6R0.4 C=C(C)CCCC 5699AL [0,1,0,0,0,0|2,0,0]=3 66 B6R0.4 C=C(C)CCCO 2774AL [0,1,0,0,0,0|2,0,0]=3 67 B6R0.4 C=CCCC(=C)C 5696AL [0,1,0,0,0,0|2,0,1]=4 68 B6R0.4 C=CCCC(C)C 6791AL [0,1,0,0,0,0|2,0,1]=4 69 B6R0.4 CC(=O)NCCCl W8163 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.4 CC(=O)OCCCl 7237AF [0,1,0,0,0,0|3,0,0]=4 71 B6R0.4 CC(=O)SCCN 5884AD [0,1,0,0,0,0|2,0,0]=3 72 B6R0.4 CC(C)CCC=O Y1162 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.4 CC(C)CCCCl 6814AE [0,1,0,0,0,0|2,0,0]=3 74 B6R0.4 CC(C)CCCN 7575AF [0,1,0,0,0,0|1,0,0]=2 75 B6R0.4 CC(C)NCCCl 9576AB [0,1,0,0,0,0|3,0,0]=4 76 B6R0.4 CC(C)OCCN 2664AC [0,1,0,0,0,0|2,0,0]=3 77 B6R0.4 CCCC=C(C)C 5704AL [0,1,0,0,0,0|2,0,1]=4 78 B6R0.4 CCCCC(=O)Br 7391AF [0,1,0,0,0,0|2,0,1]=4 79 B6R0.4 CCCCC(C)C 5734AL [0,1,0,0,0,0|2,0,0]=3 80 B6R0.4 CCCCC(C)Cl 5578AL [0,1,0,0,0,0|2,0,0]=3 81 B6R0.4 CCCCC(C)O 9467AB [0,1,0,0,0,0|2,0,0]=3 82 B6R0.4 CCCNC(C)C 7560AH [0,1,0,0,0,0|3,0,0]=4 83 B6R0.4 CCCNC(N)=S 3447AF [0,1,0,0,0,0|2,0,1]=4 84 B6R0.4 CCCSC(C)C 8111AL [0,1,0,0,0,0|3,0,0]=4 85 B6R0.4 CCNCC(C)O 2626AE [0,1,0,0,0,0|3,0,0]=4 86 B6R0.4 CN(C)CCNN 5929AE [0,1,0,0,0,0|2,0,0]=3 87 B6R0.4 CNCCC(=O)O 5026AF [0,1,0,0,0,0|2,0,1]=4 88 B6R0.4 CNCCN(C)C J70105 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.4 COCCC(C)=O B939 [0,1,0,0,0,0|1,1,1]=4 90 B6R0.4 CSSCC(=O)O KMA0116 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.4 C\C=C\CC(C)C 6798AL [0,1,0,0,0,0|2,0,1]=4 92 B6R0.4 NC(=O)CCCCl Y1653 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.4 O=C(O)CCCS 7264AF [0,1,0,0,0,0|3,0,0]=4 94 B6R0.6 C=CCCCC#N 6777AL [0,1,0,0,0,0|1,0,2]=4 95 B6R0.6 C=CCC\C=C\C 4658AL [0,1,0,0,0,0|2,0,1]=4 96 B6R0.6 C=CCOCCCl 1941AJ [0,1,0,0,0,0|2,0,1]=4 97 B6R0.6 C=CCSCCC R577 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.6 C=COCCCN 0206AC [0,1,0,0,0,0|0,1,1]=3 99 B6R0.6 C=COCCON Y6202 [0,1,0,0,0,0|1,1,1]=4 100 B6R0.6 CC#CCCCC 5638AL [0,1,0,0,0,0|2,0,0]=3 101 B6R0.6 CCCCCC#N 8042AL [0,1,0,0,0,0|1,0,1]=3 102 B6R0.6 CCCCCSC 7567AF [0,1,0,0,0,0|1,0,0]=2 103 B6R0.6 CCCCOCC 7302AL [0,1,0,0,0,0|1,1,0]=3 104 B6R0.6 CCCCOCCl S779 [0,1,0,0,0,0|1,1,0]=3 105 B6R0.6 CCCOCCC 7558AF [0,1,0,0,0,0|2,0,0]=3 106 B6R0.6 CCCOCCN 5789AL [0,1,0,0,0,0|1,0,0]=2 107 B6R0.6 CCCSCCC 7569AF [0,1,0,0,0,0|2,0,0]=3 108 B6R0.6 CCC\C=C/CO 7423AL [0,1,0,0,0,0|2,0,1]=4 109 B6R0.6 CCNCCCN 8239AC [0,1,0,0,0,0|1,0,0]=2 110 B6R0.6 CCNCCCO 5711AJ [0,1,0,0,0,0|2,0,0]=3 111 B6R0.6 CCOCCCO D587 [0,1,0,0,0,0|1,1,0]=3 112 B6R0.6 CCOCCNC 5385AD [0,1,0,0,0,0|2,0,0]=3 113 B6R0.6 CC\C=C\CCC 9219AL [0,1,0,0,0,0|2,0,1]=4 114 B6R0.6 COCCCCN AMTGC536 [0,1,0,0,0,0|0,1,0]=2 115 B6R0.6 COCCN=[N+]=[N-] AMTGC680 [0,1,0,0,0,0|1,1,1]=4 116 B6R0.6 C\C=C/CCCC 7422AL [0,1,0,0,0,0|2,0,0]=3 117 B6R0.6 C\C=C/CCCCl 7455AL [0,1,0,0,0,0|2,0,0]=3 118 B6R0.6 C\C=C\CCCC 7780AF [0,1,0,0,0,0|2,0,0]=3 119 B6R0.6 C\C=C\SCCC U946 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.6 NCCNCCCl 8169AB [0,1,0,0,0,0|2,0,0]=3 121 B6R0.6 NCCOCCN 1537AL [0,1,0,0,0,0|2,0,0]=3 122 B6R0.6 NCCSCCN K553 [0,1,0,0,0,0|2,0,0]=3 123 B6R0.6 NCCSCCO 8189AD [0,1,0,0,0,0|2,0,0]=3 124 B6R0.6 O=CCCCCO Z3600 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.6 S=C=NCCCBr 9053AD [0,1,0,0,0,0|2,0,1]=4 126 B6R0.6 [C-]#[N+]CCCOC Y2595 [0,1,0,0,0,0|0,1,1]=3 127 B6R0.6 [N-]=[N+]=NCCCN 5990AL [0,1,0,0,0,0|2,0,0]=3 128 B6R1.1 C1CCNNC1 6958AB [0,0,0,1,0,0|2,0,0]=3 129 B6R1.1 C1CCONC1 1721AE [0,0,0,1,0,0|2,0,0]=3 130 B6R1.1 C1COCCO1 7285AL [0,0,0,1,0,0|2,1,0]=4 131 B6R1.1 C1CSCCN1 8883AB [0,0,0,1,0,0|2,0,0]=3 132 B6R1.2 BrC1=CCCC1 Z8081 [0,0,0,1,0,0|3,0,0]=4 133 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,1,0,0|2,0,0]=3 134 B6R1.2 CC1CCCN1 0591AQ [0,0,0,1,0,0|1,0,0]=2 135 B6R1.2 CC1CCCS1 7972AJ [0,0,0,1,0,0|2,0,0]=3 136 B6R1.2 CC1CCNC1 X9461 [0,0,0,1,0,0|2,0,0]=3 137 B6R1.2 CC1CCOC1 6124AL [0,0,0,1,0,0|1,1,0]=3 138 B6R1.2 CC1COCO1 6593AL [0,0,0,1,0,0|2,1,0]=4 139 B6R1.2 CC1OCCO1 7260AF [0,0,0,1,0,0|3,0,0]=4 140 B6R1.2 C[C@@H]1CCNC1 1585AB [0,0,0,1,0,0|2,0,0]=3 141 B6R1.2 C[C@H]1CCNC1 W4034 [0,0,0,1,0,0|2,0,0]=3 142 B6R1.2 ClC1=CCCC1 9304AJ [0,0,0,1,0,0|3,0,0]=4 143 B6R1.2 FC1CCCC1 7941AL [0,0,0,1,0,0|2,0,0]=3 144 B6R1.2 FC1CCNC1 X9172 [0,0,0,1,0,0|2,0,0]=3 145 B6R1.2 F[C@H]1CCNC1 9169AH [0,0,0,1,0,0|2,0,0]=3 146 B6R1.2 NC1=NCCC1 3788AC [0,0,0,1,0,0|2,0,1]=4 147 B6R1.2 NC1CC=CC1 W9476 [0,0,0,1,0,0|1,0,1]=3 148 B6R1.2 NC1CCOC1 W9158 [0,0,0,1,0,0|0,1,0]=2 149 B6R1.2 NN1CCCC1 8436AA [0,0,0,1,0,0|2,0,0]=3 150 B6R1.2 N[C@H]1CCNC1 N118 [0,0,0,1,0,0|1,0,0]=2 151 B6R1.2 O[C@@H]1CCSC1 1245AL [0,0,0,1,0,0|1,0,0]=2 152 B6R1.2 O[C@H]1CCSC1 Y1948 [0,0,0,1,0,0|1,0,0]=2 153 B6R1.2 S=C1CCCN1 7821AD [0,0,0,1,0,0|2,0,0]=3 154 B6R1.2 S=C1NCCO1 1519AL [0,0,0,1,0,0|3,0,0]=4 155 B6R1.3 CCCC1CO1 4468AL [0,0,0,1,0,0|1,1,0]=3 156 B6R1.3 CCNC1CC1 2347AB [0,0,0,1,0,0|3,0,0]=4 157 B6R1.3 CCNC1CC1 3977AJ [0,0,0,1,0,0|3,0,0]=4 158 B6R1.3 CCNC1CC1 4401AJ [0,0,0,1,0,0|3,0,0]=4 159 B6R1.3 COCC1CO1 1812AL [0,0,0,1,0,0|1,1,0]=3 160 B6R1.3 COC[C@@H]1CO1 9238AJ [0,0,0,1,0,0|1,1,0]=3 161 B6R1.3 COC[C@H]1CO1 9221AJ [0,0,0,1,0,0|1,1,0]=3 162 B6R1.3 ICCC1CC1 8514AH [0,0,0,1,0,0|2,0,0]=3 163 B6R1.3 OCCC1CC1 8510AD [0,0,0,1,0,0|2,0,0]=3 164 B6R1.6 BrCC1CCO1 6025AC [0,0,0,1,0,0|3,0,0]=4 165 B6R1.6 CNC1CCC1 4414AJ [0,0,0,1,0,0|2,0,0]=3 166 B6R1.6 CNC1CCC1 X2043 [0,0,0,1,0,0|2,0,0]=3 167 B6R1.6 CNC1CNC1 1896AB [0,0,0,1,0,0|3,0,0]=4 168 B6R1.6 COC1CNC1 Y5064 [0,0,0,1,0,0|2,1,0]=4 169 B6R1.6 ICC1CCO1 1038AD [0,0,0,1,0,0|3,0,0]=4 170 B6R1.6 NCC1CCN1 0858AA [0,0,0,1,0,0|2,0,0]=3 171 B6R1.6 NCC1CCN1 6521AH [0,0,0,1,0,0|2,0,0]=3 172 B6R1.6 NCC1CCO1 V8594 [0,0,0,1,0,0|2,0,0]=3 173 B6R1.6 NCC1CNC1 2747AA [0,0,0,1,0,0|1,0,0]=2 174 B6R1.6 NCC1COC1 4443AJ [0,0,0,1,0,0|0,1,0]=2 175 B6R1.6 NCC1COC1 W7450 [0,0,0,1,0,0|0,1,0]=2 176 B6R1.6 NNC1CCC1 3961AJ [0,0,0,1,0,0|2,0,0]=3 177 B6R1.6 O=CC1COC1 5573AA [0,0,0,1,0,0|1,1,1]=4 178 B6R1.6 OCC1CCN1 Z3841 [0,0,0,1,0,0|2,0,0]=3 179 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,0]=3 180 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|0,0,0]=2 181 B3R0.1 NCCN 4103AL [2,0,0,0,0,0|1,0,0]=3 182 B3R0.1 NCCN 6791AA [2,0,0,0,0,0|1,0,0]=3 183 B3R0.1 NCCN 6876AF [2,0,0,0,0,0|1,0,0]=3 184 B3R0.1 NCCN 7518AA [2,0,0,0,0,0|1,0,0]=3 185 B3R0.1 NCCN 9393AJ [2,0,0,0,0,0|1,0,0]=3 186 B3R0.1 NCCN E395 [2,0,0,0,0,0|1,0,0]=3 187 B5R0.1 C#CCC(C)O 6664AL [1,1,0,0,0,0|1,0,1]=4 188 B5R0.1 C=C(C)CCBr Z4377 [1,1,0,0,0,0|1,0,1]=4 189 B5R0.1 C=C(C)CON 4430AJ [1,1,0,0,0,0|1,0,1]=4 190 B5R0.1 CC#CC(C)C 6601AL [1,1,0,0,0,0|1,0,1]=4 191 B5R0.1 CC(Br)CC#N 6005AL [1,1,0,0,0,0|0,0,2]=4 192 B5R0.1 CC(C)CCCl 7326AF [1,1,0,0,0,0|1,0,0]=3 193 B5R0.1 CC(C)CON 7310AJ [1,1,0,0,0,0|1,0,0]=3 194 B5R0.1 CC(C)C[Mg]Br 8722AJ [1,1,0,0,0,0|2,0,0]=4 195 B5R0.1 CC(O)CON 3604AB [1,1,0,0,0,0|1,0,0]=3 196 B5R0.1 CCC=C(C)C 7499AF [1,1,0,0,0,0|1,0,1]=4 197 B5R0.1 CCOC(C)C 7879AL [1,1,0,0,0,0|2,0,0]=4 198 B5R0.1 CCSC(C)C 7880AL [1,1,0,0,0,0|2,0,0]=4 199 B5R0.1 CNCC(C)=O 4565AF [1,1,0,0,0,0|1,0,1]=4 200 B5R0.1 CNCC(C)C 8603AL [1,1,0,0,0,0|1,0,0]=3 201 B5R0.1 CNCC(C)O 5343AD [1,1,0,0,0,0|1,0,0]=3 202 B5R0.1 CNCC(F)F 8440AH [1,1,0,0,0,0|2,0,0]=4 203 B5R0.1 COCC(=N)N 1769AJ [1,1,0,0,0,0|0,1,1]=4 204 B5R0.1 COCC(C)N 0442AC [1,1,0,0,0,0|0,1,0]=3 205 B5R0.1 COC[C@H](C)O W4988 [1,1,0,0,0,0|0,1,0]=3 206 B5R0.1 CS(=O)CCN 4290AE [1,1,0,0,0,0|0,0,1]=3 207 B5R0.1 CSCC(=N)N 1816AJ [1,1,0,0,0,0|0,0,1]=3 208 B5R0.1 C[C@@H](O)CC#N 1173AL [1,1,0,0,0,0|0,0,2]=4 209 B5R0.1 C[C@H](N)CCO 3502AC [1,1,0,0,0,0|0,1,0]=3 210 B5R0.1 C\C(Cl)=C\CN 9653AD [1,1,0,0,0,0|0,0,2]=4 211 B5R0.1 C\C=C\C(C)C 7501AF [1,1,0,0,0,0|1,0,1]=4 212 B5R0.3 C#CC(O)CC X7089 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.3 C=C(SC)SC 4356AL [1,1,0,0,0,0|1,0,1]=4 214 B5R0.3 CC(CN)CN 1710AB [1,1,0,0,0,0|1,0,0]=3 215 B5R0.3 CCC(=O)CN X8894 [1,1,0,0,0,0|0,0,1]=3 216 B5R0.3 CCC(=O)CO X5132 [1,1,0,0,0,0|1,0,1]=4 217 B5R0.3 CCC(=S)OC R571 [1,1,0,0,0,0|0,1,1]=4 218 B5R0.3 CCC(C)C#N 9871AA [1,1,0,0,0,0|0,0,2]=4 219 B5R0.3 CCC(C)CCl U282 [1,1,0,0,0,0|1,0,0]=3 220 B5R0.3 CCC(C)CS U578 [1,1,0,0,0,0|1,0,0]=3 221 B5R0.3 CCC(C)NN 9798AD [1,1,0,0,0,0|1,0,0]=3 222 B5R0.3 CCC(O)C#N 7246AF [1,1,0,0,0,0|0,0,2]=4 223 B5R0.3 CCC(O)CBr 4766AL [1,1,0,0,0,0|1,0,0]=3 224 B5R0.3 CCC(S)CS 4441AL [1,1,0,0,0,0|1,0,0]=3 225 B5R0.3 CN[C@@H](C)CO X7940 [1,1,0,0,0,0|2,0,0]=4 226 B5R0.3 C\C=C(/C)CC 0241AQ [1,1,0,0,0,0|1,0,1]=4 227 B5R0.3 C\C=C(/C)CC 9220AL [1,1,0,0,0,0|1,0,1]=4 228 B5R0.3 C\C=C(\C)CC 7440AL [1,1,0,0,0,0|1,0,1]=4 229 B5R0.3 FCC(Br)CBr 3889AE [1,1,0,0,0,0|2,0,0]=4 230 B5R0.3 NCC(Br)CBr 5327AJ [1,1,0,0,0,0|1,0,0]=3 231 B5R0.3 OC(CCl)CBr 7042AF [1,1,0,0,0,0|2,0,0]=4 232 B5R0.3 OC[C@@H](O)CF 1216AL [1,1,0,0,0,0|1,1,0]=4 233 B7R0.2 C=C(C)CC(C)CC 5312AL [0,2,0,0,0,0|2,0,0]=4 234 B7R0.2 CCC(C)CC(C)C 5322AL [0,2,0,0,0,0|2,0,0]=4 235 B7R0.2 CN(C)CC(O)CCl 4719AE [0,2,0,0,0,0|2,0,0]=4 236 B7R0.2 CN(C)CC(O)CN V6256 [0,2,0,0,0,0|1,0,0]=3 237 B7R0.2 COC(C)CC(C)O 5636AH [0,2,0,0,0,0|1,1,0]=4 238 B7R0.2 NCC(N)CC(=O)O 5843AA [0,2,0,0,0,0|2,0,0]=4 239 B7R0.2 NC[C@H](O)CC(=O)O Z5048 [0,2,0,0,0,0|2,0,0]=4 240 B7R0.3 C=C(CC)CCCC 5608AL [0,2,0,0,0,0|2,0,0]=4 241 B7R0.3 CC#CCC(O)CC 6775AL [0,2,0,0,0,0|2,0,0]=4 242 B7R0.3 CCC(=O)NCCN 3366AF [0,2,0,0,0,0|1,0,1]=4 243 B7R0.3 CCC(Cl)CCCCl 4475AE [0,2,0,0,0,0|2,0,0]=4 244 B7R0.3 CCCCC(C)CC 6251AE [0,2,0,0,0,0|2,0,0]=4 245 B7R0.3 CCCCC(O)CC 8762AB [0,2,0,0,0,0|2,0,0]=4 246 B7R0.3 CCCNC(=O)CN V6930 [0,2,0,0,0,0|1,0,1]=4 247 B7R0.3 CCCNC(C)CC 2356AE [0,2,0,0,0,0|2,0,0]=4 248 B7R0.3 CCN(C)CCCO 4272AE [0,2,0,0,0,0|2,0,0]=4 249 B7R0.3 CCOCC(N)CC 8270AE [0,2,0,0,0,0|1,1,0]=4 250 B7R0.3 CNCCC(=O)NC 5845AE [0,2,0,0,0,0|1,0,1]=4 251 B7R0.3 COC(=N)CCCCl 2164AC [0,2,0,0,0,0|1,1,0]=4 252 B7R0.3 COC(=O)CCCS X9990 [0,2,0,0,0,0|1,1,0]=4 253 B7R0.3 COCC\C(N)=N/O 7855AE [0,2,0,0,0,0|0,1,1]=4 254 B7R0.5 CC(C)C(N)CCO 5799AJ [0,2,0,0,0,0|2,0,0]=4 255 B7R0.5 CC(CCN)N(C)C 6615AE [0,2,0,0,0,0|1,0,0]=3 256 B7R0.5 CC(CCO)N(C)C 9228AD [0,2,0,0,0,0|2,0,0]=4 257 B7R0.5 CCCC(O)C(C)C 5711AL [0,2,0,0,0,0|2,0,0]=4 258 B7R0.5 COCC(N)C(C)C 9904AH [0,2,0,0,0,0|1,1,0]=4 259 B7R0.5 CSC[C@H](N)C(=O)O 2067AC [0,2,0,0,0,0|1,0,1]=4 260 B7R0.5 NCCC(N)C(=O)O W7673 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [0,2,0,0,0,0|2,0,0]=4 263 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [0,2,0,0,0,0|2,0,0]=4 264 B7R0.7 CCCC(C)CCO 6091AL [0,2,0,0,0,0|2,0,0]=4 265 B7R0.7 CCCN(C)CCC 0883AE [0,2,0,0,0,0|2,0,0]=4 266 B7R0.7 CCNC(=O)CCN 1836AD [0,2,0,0,0,0|1,0,1]=4 267 B7R0.7 CCNC(C)CCO 9482AE [0,2,0,0,0,0|2,0,0]=4 268 B7R0.10 CCC(C)C(C)CC 5907AL [0,2,0,0,0,0|2,0,0]=4 269 B7R0.11 CCS(=O)(=O)CCN 5582AD [0,2,0,0,0,0|2,0,0]=4 270 B7R0.11 CNCC(C)(C)CO 8093AA [0,2,0,0,0,0|2,0,0]=4 271 B7R0.11 COC(C)(C)CCN 3408AD [0,2,0,0,0,0|0,1,0]=3 272 B7R0.11 COCC(C)(C)CN 9457AE [0,2,0,0,0,0|0,1,0]=3 273 B7R0.11 COCC(C)(C)CO Y5474 [0,2,0,0,0,0|1,1,0]=4 274 B7R0.12 COC(CCCl)OC 6016AL [0,2,0,0,0,0|1,1,0]=4 275 B7R0.4 C=C(C)CCCCC 5698AL [0,2,0,0,0,0|2,0,0]=4 276 B7R0.4 CC(=O)NCCCN V6432 [0,2,0,0,0,0|1,0,0]=3 277 B7R0.4 CC(=O)NCCCO 8280AC [0,2,0,0,0,0|2,0,0]=4 278 B7R0.4 CC(C)CCCCO 6988AE [0,2,0,0,0,0|2,0,0]=4 279 B7R0.4 CC(C)COCCN 0042AD [0,2,0,0,0,0|1,0,0]=3 280 B7R0.4 CC(C)CSCCO 5051AL [0,2,0,0,0,0|2,0,0]=4 281 B7R0.4 CC(C)OCCCCl U192 [0,2,0,0,0,0|1,1,0]=4 282 B7R0.4 CC(C)OCCCO 9315AD [0,2,0,0,0,0|1,1,0]=4 283 B7R0.4 CC(O)CNCCO 7542AE [0,2,0,0,0,0|2,0,0]=4 284 B7R0.4 CCCCCC(C)C 5733AL [0,2,0,0,0,0|2,0,0]=4 285 B7R0.4 CCCCCC(C)Cl 5577AL [0,2,0,0,0,0|2,0,0]=4 286 B7R0.4 CCCCNC(C)C 2334AE [0,2,0,0,0,0|2,0,0]=4 287 B7R0.4 CCCCOC(Cl)Cl 7617AL [0,2,0,0,0,0|1,1,0]=4 288 B7R0.4 CCOCCC(C)=O 6489AL [0,2,0,0,0,0|2,0,0]=4 289 B7R0.4 CN(C)CCCCN 1354AE [0,2,0,0,0,0|1,0,0]=3 290 B7R0.4 CNCCCC(=O)O 2115AA [0,2,0,0,0,0|2,0,0]=4 291 B7R0.4 COCCN=C(N)N 8527AC [0,2,0,0,0,0|0,1,1]=4 292 B7R0.4 COCCNC(C)C 8018AC [0,2,0,0,0,0|1,1,0]=4 293 B7R0.6 C=C(C)CCC(C)C 5371AL [0,2,0,0,0,0|2,0,0]=4 294 B7R0.6 CC(C)CCC(C)Br 5483AJ [0,2,0,0,0,0|2,0,0]=4 295 B7R0.6 CC(C)CCC(C)C 5381AL [0,2,0,0,0,0|2,0,0]=4 296 B7R0.8 CC(C)(C)OCCN 4886AH [0,2,0,0,0,0|2,0,0]=4 297 B7R0.8 CC(C)(O)CCCN 6321AJ [0,2,0,0,0,0|1,0,0]=3 298 B7R0.8 CCCCC(C)(C)C 5136AL [0,2,0,0,0,0|2,0,0]=4 299 B7R0.8 CCCC[Si](C)(C)Cl 8911AJ [0,2,0,0,0,0|2,0,0]=4 300 B7R0.8 CNCCC(C)(C)C 9066AC [0,2,0,0,0,0|2,0,0]=4 301 B7R0.8 CS(=O)(=O)CCCCl 7889AB [0,2,0,0,0,0|1,0,1]=4 302 B7R0.8 CS(=O)(=O)NCCN V7900 [0,2,0,0,0,0|1,0,1]=4 303 B7R0.8 C[Si](C)(C)CCON 8695AL [0,2,0,0,0,0|2,0,0]=4 304 B7R0.8 NCCCP(=O)(O)O V2414 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.8 NCCCS(N)(=O)=O Z6742 [0,2,0,0,0,0|1,0,1]=4 306 B7R0.1 C#CCNCCCC 3830AE [0,2,0,0,0,0|2,0,0]=4 307 B7R0.1 C=CCCCCCCl 5718AC [0,2,0,0,0,0|2,0,0]=4 308 B7R0.1 C=CCCCCCO 6859AL [0,2,0,0,0,0|2,0,0]=4 309 B7R0.1 C=CCCCCNC 8160AB [0,2,0,0,0,0|1,0,1]=4 310 B7R0.1 C=CCOCCCC 7029AL [0,2,0,0,0,0|1,1,0]=4 311 B7R0.1 CCC#CCCCC 7931AF [0,2,0,0,0,0|2,0,0]=4 312 B7R0.1 CCCCCC[Mg]Br 8700AJ [0,2,0,0,0,0|2,0,0]=4 313 B7R0.1 CCCCOCCCl 5574AL [0,2,0,0,0,0|1,1,0]=4 314 B7R0.1 CCCCOCCN 7133AE [0,2,0,0,0,0|1,0,0]=3 315 B7R0.1 CCCC\C=C\CO 9204AL [0,2,0,0,0,0|2,0,0]=4 316 B7R0.1 CCCNCCCO 2264AL [0,2,0,0,0,0|2,0,0]=4 317 B7R0.1 CCCNCCOC X4577 [0,2,0,0,0,0|1,1,0]=4 318 B7R0.1 CCNCCOCC 2091AE [0,2,0,0,0,0|1,1,0]=4 319 B7R0.1 CC\C=C\CCCC 9221AL [0,2,0,0,0,0|2,0,0]=4 320 B7R0.1 CNCCCCOC AMTGC537 [0,2,0,0,0,0|0,1,0]=3 321 B7R0.1 COCCOCCCl AMTGC469 [0,2,0,0,0,0|1,1,0]=4 322 B7R0.1 COCCOCCS 1037AQ [0,2,0,0,0,0|1,1,0]=4 323 B7R0.1 C\C=C/CCCCC 7427AL [0,2,0,0,0,0|2,0,0]=4 324 B7R0.1 C\C=C\CCCCC 7960AF [0,2,0,0,0,0|2,0,0]=4 325 B7R0.1 N#CCCCCCN 7503AF [0,2,0,0,0,0|1,0,0]=3 326 B7R0.1 N#CCCSCCO 4958AD [0,2,0,0,0,0|0,0,2]=4 327 B7R0.1 O=CCCCCCCl Y9332 [0,2,0,0,0,0|2,0,0]=4 328 B7R0.1 OCCCNCCO 2316AL [0,2,0,0,0,0|2,0,0]=4 329 B7R0.1 [N-]=[N+]=NCCCCN 1550AF [0,2,0,0,0,0|2,0,0]=4 330 B5R1.1 C1=NNCC1 5793AL [1,0,0,1,0,0|1,0,1]=4 331 B5R1.1 C1CNNC1 Z5309 [1,0,0,1,0,0|1,0,0]=3 332 B5R1.1 C1CSCS1 0673AQ [1,0,0,1,0,0|1,0,0]=3 333 B5R1.2 IC1CNC1 2304AJ [1,0,0,1,0,0|2,0,0]=4 334 B5R1.3 CNC1CC1 X4771 [1,0,0,1,0,0|1,0,0]=3 335 B5R1.3 [C-]#[N+]C1CC1 6101AE [1,0,0,1,0,0|1,0,1]=4 336 B5R1.4 N[C@@H]1C[C@H]1N 3501AB [1,0,0,1,0,0|1,0,0]=3 337 B7R1.1 BrCC1CCCN1 6324AA [0,1,0,1,0,0|1,0,0]=3 338 B7R1.1 BrCC1CCOC1 8390AA [0,1,0,1,0,0|1,1,0]=4 339 B7R1.1 C=CC1CCCC1 9406AL [0,1,0,1,0,0|2,0,0]=4 340 B7R1.1 CCC1CCCC1 7901AL [0,1,0,1,0,0|2,0,0]=4 341 B7R1.1 CCC1CCCN1 7143AC [0,1,0,1,0,0|1,0,0]=3 342 B7R1.1 CCC1CCNC1 9496AE [0,1,0,1,0,0|1,0,0]=3 343 B7R1.1 CCN1CCCC1 8555AL [0,1,0,1,0,0|2,0,0]=4 344 B7R1.1 CN[C@@H]1CCNC1 X6025 [0,1,0,1,0,0|1,0,0]=3 345 B7R1.1 CN[C@@H]1CCOC1 2045AJ [0,1,0,1,0,0|0,1,0]=3 346 B7R1.1 CN[C@@H]1CCOC1 9048AH [0,1,0,1,0,0|0,1,0]=3 347 B7R1.1 CN[C@H]1CCNC1 6721AA [0,1,0,1,0,0|1,0,0]=3 348 B7R1.1 CN[C@H]1CCOC1 2048AJ [0,1,0,1,0,0|0,1,0]=3 349 B7R1.1 COC1=NCCN1 2725AB [0,1,0,1,0,0|0,1,1]=4 350 B7R1.1 COC1CCNC1 Z4122 [0,1,0,1,0,0|0,1,0]=3 351 B7R1.1 CSC1=NCCS1 X2626 [0,1,0,1,0,0|0,0,2]=4 352 B7R1.1 ClCC1CCCC1 Z6552 [0,1,0,1,0,0|2,0,0]=4 353 B7R1.1 ClCC1CCOC1 2028AJ [0,1,0,1,0,0|1,1,0]=4 354 B7R1.1 ClC[C@@H]1CCCN1 4318AB [0,1,0,1,0,0|1,0,0]=3 355 B7R1.1 ClC[C@@H]1CCCN1 9398AA [0,1,0,1,0,0|1,0,0]=3 356 B7R1.1 ICC1CCCC1 Y8539 [0,1,0,1,0,0|2,0,0]=4 357 B7R1.1 N#C[C@@H]1CCCN1 K817 [0,1,0,1,0,0|1,0,1]=4 358 B7R1.1 NCC1CCCC1 3974AJ [0,1,0,1,0,0|1,0,0]=3 359 B7R1.1 NCC1CCNC1 0361AC [0,1,0,1,0,0|1,0,0]=3 360 B7R1.1 NCC1OCCO1 6055AB [0,1,0,1,0,0|2,0,0]=4 361 B7R1.1 NC[C@@H]1CCCN1 O008 [0,1,0,1,0,0|1,0,0]=3 362 B7R1.1 NC[C@@H]1CCCO1 Z5557 [0,1,0,1,0,0|1,0,0]=3 363 B7R1.1 NC[C@H]1CCCN1 1217AC [0,1,0,1,0,0|1,0,0]=3 364 B7R1.1 NC[C@H]1CCCN1 Z3950 [0,1,0,1,0,0|1,0,0]=3 365 B7R1.1 NNC1CCCC1 9797AD [0,1,0,1,0,0|1,0,0]=3 366 B7R1.1 NNC1CCOC1 4448AJ [0,1,0,1,0,0|0,1,0]=3 367 B7R1.1 NNC1CCOC1 9248AH [0,1,0,1,0,0|0,1,0]=3 368 B7R1.1 OCC1CCNC1 W6601 [0,1,0,1,0,0|2,0,0]=4 369 B7R1.1 OCC1CCNC1 W7609 [0,1,0,1,0,0|2,0,0]=4 370 B7R1.1 OC[C@@H]1CCNC1 4311AA [0,1,0,1,0,0|2,0,0]=4 371 B7R1.1 OC[C@@H]1CCOC1 3014AD [0,1,0,1,0,0|1,1,0]=4 372 B7R1.1 OC[C@H]1CCOC1 3025AD [0,1,0,1,0,0|1,1,0]=4 373 B7R1.1 [C-]#[N+]C1CCCC1 7534AL [0,1,0,1,0,0|1,0,1]=4 374 B7R1.2 CN1CCC(Br)C1 1332AA [0,1,0,1,0,0|2,0,0]=4 375 B7R1.2 CN1CCC(N)C1 X9823 [0,1,0,1,0,0|1,0,0]=3 376 B7R1.2 CN1CC[C@@H](N)C1 8951AH [0,1,0,1,0,0|1,0,0]=3 377 B7R1.2 CN1CC[C@H](N)C1 Y4288 [0,1,0,1,0,0|1,0,0]=3 378 B7R1.2 C[C@H]1CC[C@H](C)N1 8587AH [0,1,0,1,0,0|1,0,0]=3 379 B7R1.2 NC1CNC(=O)C1 4028AC [0,1,0,1,0,0|1,0,1]=4 380 B7R1.2 N[C@H]1CC[C@@H](O)C1 2029AA [0,1,0,1,0,0|1,0,0]=3 381 B7R1.2 O=C1CCC(I)C1 3588AC [0,1,0,1,0,0|2,0,0]=4 382 B7R1.2 O=C1CCC(O)N1 W1140 [0,1,0,1,0,0|2,0,0]=4 383 B7R1.3 BrC1CCCOC1 X9769 [0,1,0,1,0,0|1,1,0]=4 384 B7R1.3 CC1=CCCNC1 V9748 [0,1,0,1,0,0|1,0,1]=4 385 B7R1.3 CC1C=CCCC1 6090AL [0,1,0,1,0,0|2,0,0]=4 386 B7R1.3 CC1CCCCN1 7117AB [0,1,0,1,0,0|1,0,0]=3 387 B7R1.3 CC1CCOCO1 8171AJ [0,1,0,1,0,0|1,1,0]=4 388 B7R1.3 C[C@H]1CNCCO1 W8218 [0,1,0,1,0,0|2,0,0]=4 389 B7R1.3 ClN1CCOCC1 X5216 [0,1,0,1,0,0|2,0,0]=4 390 B7R1.3 FC1CCCCC1 1850AE [0,1,0,1,0,0|2,0,0]=4 391 B7R1.3 IC1CCNCC1 Z9919 [0,1,0,1,0,0|1,0,0]=3 392 B7R1.3 IC1CCOCC1 W4893 [0,1,0,1,0,0|1,1,0]=4 393 B7R1.3 NC1CC=CCC1 3966AJ [0,1,0,1,0,0|1,0,0]=3 394 B7R1.3 NC1CCCOC1 X9447 [0,1,0,1,0,0|0,1,0]=3 395 B7R1.3 N[C@H]1CCCNC1 Y4134 [0,1,0,1,0,0|1,0,0]=3 396 B7R1.3 O=C1NCCCO1 V6397 [0,1,0,1,0,0|0,1,1]=4 397 B7R1.3 S=C1NCCCS1 5563AE [0,1,0,1,0,0|0,0,1]=3 398 B7R1.4 BrC1CCCC1Br 3089AB [0,1,0,1,0,0|2,0,0]=4 399 B7R1.4 CC1CCCC1N 5365AE [0,1,0,1,0,0|1,0,0]=3 400 B7R1.4 CC1CCNC1=O Y8455 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.4 C[C@@H]1CCC[C@@H]1O 3213AL [0,1,0,1,0,0|2,0,0]=4 402 B7R1.4 ClC1CCOC1Cl 5221AL [0,1,0,1,0,0|1,1,0]=4 403 B7R1.4 NC1CCNC1=O 0020AD [0,1,0,1,0,0|1,0,1]=4 404 B7R1.4 NC1COCC1O 5780AA [0,1,0,1,0,0|0,1,0]=3 405 B7R1.4 NC1CSCC1O 0027AD [0,1,0,1,0,0|0,0,0]=2 406 B7R1.4 N[C@@H]1CCNC1=O X9462 [0,1,0,1,0,0|1,0,1]=4 407 B7R1.4 N[C@@H]1COC[C@H]1O 8700AH [0,1,0,1,0,0|0,1,0]=3 408 B7R1.4 N[C@H]1CCSC1=O S502 [0,1,0,1,0,0|0,0,1]=3 409 B7R1.4 N[C@H]1COC[C@@H]1O 4688AJ [0,1,0,1,0,0|0,1,0]=3 410 B7R1.4 N[C@H]1COC[C@@H]1O 8683AH [0,1,0,1,0,0|0,1,0]=3 411 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [0,1,0,1,0,0|2,0,0]=4 412 B7R1.4 O[C@H]1CNC[C@@H]1O Z4539 [0,1,0,1,0,0|2,0,0]=4 413 B7R1.6 CNCC1CCC1 3149AD [0,1,0,1,0,0|1,0,0]=3 414 B7R1.6 ClCCN1CCC1 2792AA [0,1,0,1,0,0|2,0,0]=4 415 B7R1.6 OCCC1COC1 1983AB [0,1,0,1,0,0|1,1,0]=4 416 B7R1.6 OCCN1CCC1 0462AC [0,1,0,1,0,0|2,0,0]=4 417 B7R1.10 C=C1CC(CN)C1 3039AF [0,1,0,1,0,0|1,0,0]=3 418 B7R1.10 C=C1CC(CN)C1 5243AD [0,1,0,1,0,0|1,0,0]=3 419 B7R1.10 CCN1CC(N)C1 9834AH [0,1,0,1,0,0|2,0,0]=4 420 B7R1.10 CN1CC(CN)C1 8339AH [0,1,0,1,0,0|1,0,0]=3 421 B7R1.10 NCC1CC(O)C1 3176AF [0,1,0,1,0,0|1,0,0]=3 422 B7R1.22 CCC(N)C1CC1 7479AD [0,1,0,1,0,0|2,0,0]=4 423 B7R1.22 COC(=O)C1CN1 6374AE [0,1,0,1,0,0|0,1,1]=4 424 B7R1.22 NC(CO)C1CC1 HTS033190 [0,1,0,1,0,0|2,0,0]=4 425 B7R1.25 CC1(CCl)COC1 2252AL [0,1,0,1,0,0|1,1,0]=4 426 B7R1.25 CC1(CO)CSC1 5905AE [0,1,0,1,0,0|1,0,0]=3 427 B7R1.25 FC1(CBr)COC1 1016AF [0,1,0,1,0,0|1,1,0]=4 428 B7R1.25 NC1(CO)CCC1 9457AA [0,1,0,1,0,0|2,0,0]=4 429 B7R1.25 NCC1(O)CCC1 HTS033072 [0,1,0,1,0,0|1,0,0]=3 430 B7R1.7 CCNCC1CC1 8749AD [0,1,0,1,0,0|2,0,0]=4 431 B7R1.7 CCOCC1CO1 7875AL [0,1,0,1,0,0|1,1,0]=4 432 B7R1.7 ClCCOC1CC1 Y8014 [0,1,0,1,0,0|2,0,0]=4 433 B7R1.7 OCCNC1CC1 V5433 [0,1,0,1,0,0|2,0,0]=4 434 B7R1.14 CC1(C)CCNC1 2404AC [0,1,0,1,0,0|2,0,0]=4 435 B7R1.18 N=C(N)C1CCC1 1131AC [0,1,0,1,0,0|1,0,1]=4 436 B7R1.18 N=C(N)C1CCC1 9638AJ [0,1,0,1,0,0|1,0,1]=4 437 B7R1.18 NC(=O)C1CCC1 F371 [0,1,0,1,0,0|1,0,1]=4 438 B7R1.18 NC(=O)C1CCN1 Z9521 [0,1,0,1,0,0|2,0,0]=4 439 B7R1.18 NC(=O)C1CNC1 Z4019 [0,1,0,1,0,0|1,0,1]=4 440 B7R1.18 O=C(O)C1CCN1 0741AC [0,1,0,1,0,0|2,0,0]=4 441 B7R1.20 CC(=O)CC1CC1 5730AB [0,1,0,1,0,0|2,0,0]=4 442 B7R1.24 C1=CCCCCC1 7508AL [0,1,0,1,0,0|2,0,0]=4 443 B7R2.13 C1CC2CC2N1 1555AJ [0,0,0,2,0,0|1,0,0]=3 444 B7R2.13 C1NCC2CC12 2805AB [0,0,0,2,0,0|1,0,0]=3