0 B6R1.2 BrC1=CCCC1 Z8081 [0,0,0,0,0,0|1,0,1]=2 1 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,0,0,0|1,0,1]=2 2 B6R1.2 CC1CCCN1 0591AQ [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 CC1CCCS1 7972AJ [0,0,0,0,0,0|2,0,1]=3 4 B6R1.2 CC1CCNC1 X9461 [0,0,0,0,0,0|2,0,1]=3 5 B6R1.2 CC1CCOC1 6124AL [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 CC1COCO1 6593AL [0,0,0,0,0,0|3,0,1]=4 7 B6R1.2 CC1OCCO1 7260AF [0,0,0,0,0,0|3,0,1]=4 8 B6R1.2 C[C@@H]1CCNC1 1585AB [0,0,0,0,0,0|2,0,1]=3 9 B6R1.2 C[C@H]1CCNC1 W4034 [0,0,0,0,0,0|2,0,1]=3 10 B6R1.2 ClC1=CCCC1 9304AJ [0,0,0,0,0,0|1,0,1]=2 11 B6R1.2 FC1CCCC1 7941AL [0,0,0,0,0,0|1,0,1]=2 12 B6R1.2 FC1CCNC1 X9172 [0,0,0,0,0,0|2,0,1]=3 13 B6R1.2 F[C@H]1CCNC1 9169AH [0,0,0,0,0,0|2,0,1]=3 14 B6R1.2 NC1=NCCC1 3788AC [0,0,0,0,0,0|2,0,0]=2 15 B6R1.2 NC1CC=CC1 W9476 [0,0,0,0,0,0|1,0,3]=4 16 B6R1.2 NC1CCOC1 W9158 [0,0,0,0,0,0|2,0,1]=3 17 B6R1.2 NN1CCCC1 8436AA [0,0,0,0,0,0|2,0,0]=2 18 B6R1.2 N[C@H]1CCNC1 N118 [0,0,0,0,0,0|2,0,1]=3 19 B6R1.2 O=C1C=CCN1 V5771 [0,0,0,0,0,0|1,0,2]=3 20 B6R1.2 O=C1C=CCS1 1311AQ [0,0,0,0,0,0|1,0,2]=3 21 B6R1.2 O[C@@H]1CCSC1 1245AL [0,0,0,0,0,0|1,0,2]=3 22 B6R1.2 O[C@H]1CCSC1 Y1948 [0,0,0,0,0,0|1,0,2]=3 23 B6R1.2 S=C1CCCN1 7821AD [0,0,0,0,0,0|1,1,0]=2 24 B6R1.2 S=C1NCCO1 1519AL [0,0,0,0,0,0|2,1,0]=3 25 B5R1.1 C1=NNCC1 5793AL [1,0,0,0,0,0|2,0,0]=3 26 B5R1.1 C1CNNC1 Z5309 [1,0,0,0,0,0|2,0,0]=3 27 B5R1.1 C1CSCS1 0673AQ [1,0,0,0,0,0|2,0,0]=3 28 B7R1.1 BrCC1CCCN1 6324AA [0,1,0,0,0,0|2,0,1]=4 29 B7R1.1 BrCC1CCOC1 8390AA [0,1,0,0,0,0|2,0,1]=4 30 B7R1.1 C=CC1CCCC1 9406AL [0,1,0,0,0,0|1,0,1]=3 31 B7R1.1 CCC1CCCC1 7901AL [0,1,0,0,0,0|1,0,1]=3 32 B7R1.1 CCC1CCCN1 7143AC [0,1,0,0,0,0|2,0,1]=4 33 B7R1.1 CCC1CCNC1 9496AE [0,1,0,0,0,0|2,0,1]=4 34 B7R1.1 CCN1CCCC1 8555AL [0,1,0,0,0,0|2,0,0]=3 35 B7R1.1 CN[C@@H]1CCNC1 X6025 [0,1,0,0,0,0|2,0,1]=4 36 B7R1.1 CN[C@@H]1CCOC1 2045AJ [0,1,0,0,0,0|2,0,1]=4 37 B7R1.1 CN[C@@H]1CCOC1 9048AH [0,1,0,0,0,0|2,0,1]=4 38 B7R1.1 CN[C@H]1CCNC1 6721AA [0,1,0,0,0,0|2,0,1]=4 39 B7R1.1 CN[C@H]1CCOC1 2048AJ [0,1,0,0,0,0|2,0,1]=4 40 B7R1.1 COC1=NCCN1 2725AB [0,1,0,0,0,0|2,0,1]=4 41 B7R1.1 COC1CCNC1 Z4122 [0,1,0,0,0,0|1,0,2]=4 42 B7R1.1 CSC1=NCCS1 X2626 [0,1,0,0,0,0|2,1,0]=4 43 B7R1.1 ClCC1CCCC1 Z6552 [0,1,0,0,0,0|1,0,1]=3 44 B7R1.1 ClCC1CCOC1 2028AJ [0,1,0,0,0,0|2,0,1]=4 45 B7R1.1 ClC[C@@H]1CCCN1 4318AB [0,1,0,0,0,0|2,0,1]=4 46 B7R1.1 ClC[C@@H]1CCCN1 9398AA [0,1,0,0,0,0|2,0,1]=4 47 B7R1.1 ICC1CCCC1 Y8539 [0,1,0,0,0,0|1,0,1]=3 48 B7R1.1 N#C[C@@H]1CCCN1 K817 [0,1,0,0,0,0|2,0,1]=4 49 B7R1.1 NCC1CCCC1 3974AJ [0,1,0,0,0,0|1,0,1]=3 50 B7R1.1 NCC1CCNC1 0361AC [0,1,0,0,0,0|2,0,1]=4 51 B7R1.1 NC[C@@H]1CCCN1 O008 [0,1,0,0,0,0|2,0,1]=4 52 B7R1.1 NC[C@@H]1CCCO1 Z5557 [0,1,0,0,0,0|2,0,1]=4 53 B7R1.1 NC[C@H]1CCCN1 1217AC [0,1,0,0,0,0|2,0,1]=4 54 B7R1.1 NC[C@H]1CCCN1 Z3950 [0,1,0,0,0,0|2,0,1]=4 55 B7R1.1 NNC1CCCC1 9797AD [0,1,0,0,0,0|1,0,1]=3 56 B7R1.1 NNC1CCOC1 4448AJ [0,1,0,0,0,0|2,0,1]=4 57 B7R1.1 NNC1CCOC1 9248AH [0,1,0,0,0,0|2,0,1]=4 58 B7R1.1 O=CC1=CCSC1 2331AA [0,1,0,0,0,0|1,0,1]=3 59 B7R1.1 OCC1CCNC1 W6601 [0,1,0,0,0,0|1,0,2]=4 60 B7R1.1 OCC1CCNC1 W7609 [0,1,0,0,0,0|1,0,2]=4 61 B7R1.1 OC[C@@H]1CCNC1 4311AA [0,1,0,0,0,0|1,0,2]=4 62 B7R1.1 OC[C@@H]1CCOC1 3014AD [0,1,0,0,0,0|1,0,2]=4 63 B7R1.1 OC[C@H]1CCOC1 3025AD [0,1,0,0,0,0|1,0,2]=4 64 B7R1.1 [C-]#[N+]C1CCCC1 7534AL [0,1,0,0,0,0|1,0,1]=3 65 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,1,0,0,0,0|2,0,1]=4 66 B7R1.2 CC1CNC(=S)N1 7200AD [0,1,0,0,0,0|2,1,0]=4 67 B7R1.2 CN1CCC(=O)C1 B871 [0,1,0,0,0,0|1,0,0]=2 68 B7R1.2 CN1CCC(Br)C1 1332AA [0,1,0,0,0,0|2,0,0]=3 69 B7R1.2 CN1CCC(N)C1 X9823 [0,1,0,0,0,0|2,0,0]=3 70 B7R1.2 CN1CC[C@@H](N)C1 8951AH [0,1,0,0,0,0|2,0,0]=3 71 B7R1.2 CN1CC[C@H](N)C1 Y4288 [0,1,0,0,0,0|2,0,0]=3 72 B7R1.2 C[C@@H]1COC(=O)O1 P610 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.2 C[C@H]1CC[C@H](C)N1 8587AH [0,1,0,0,0,0|2,0,1]=4 74 B7R1.2 NC1=CC(=O)CC1 2359AL [0,1,0,0,0,0|0,0,2]=3 75 B7R1.2 NC1CNC(=O)C1 4028AC [0,1,0,0,0,0|1,0,0]=2 76 B7R1.2 N[C@H]1CC[C@@H](O)C1 2029AA [0,1,0,0,0,0|0,0,2]=3 77 B7R1.2 O=C1C=C(Br)CO1 V6658 [0,1,0,0,0,0|1,0,2]=4 78 B7R1.2 O=C1C=C(O)CC1 6113AE [0,1,0,0,0,0|0,0,2]=3 79 B7R1.2 O=C1C=C(O)CN1 6921AB [0,1,0,0,0,0|1,0,2]=4 80 B7R1.2 O=C1C=CC(O)O1 2926AL [0,1,0,0,0,0|1,0,2]=4 81 B7R1.2 O=C1CCC(I)C1 3588AC [0,1,0,0,0,0|0,0,0]=1 82 B7R1.2 O=C1CCC(O)N1 W1140 [0,1,0,0,0,0|1,0,0]=2 83 B7R1.2 O=C1CNC(=O)C1 X3858 [0,1,0,0,0,0|1,0,1]=3 84 B7R1.2 O=C1CNC(S)S1 5679AL [0,1,0,0,0,0|2,0,0]=3 85 B7R1.2 O=C1OCC(Cl)O1 E933 [0,1,0,0,0,0|2,0,0]=3 86 B7R1.4 BrC1=C(Br)CCC1 U121 [0,1,0,0,0,0|1,0,1]=3 87 B7R1.4 BrC1CCCC1Br 3089AB [0,1,0,0,0,0|1,0,1]=3 88 B7R1.4 CC1=CCOC1=O 7576AD [0,1,0,0,0,0|1,0,2]=4 89 B7R1.4 CC1C=NNC1=O 1336AQ [0,1,0,0,0,0|2,0,1]=4 90 B7R1.4 CC1CCCC1N 5365AE [0,1,0,0,0,0|1,0,1]=3 91 B7R1.4 CC1CCNC1=O Y8455 [0,1,0,0,0,0|1,0,0]=2 92 B7R1.4 C[C@@H]1CCC[C@@H]1O 3213AL [0,1,0,0,0,0|0,0,2]=3 93 B7R1.4 ClC1CCOC1Cl 5221AL [0,1,0,0,0,0|2,0,1]=4 94 B7R1.4 NC1CCNC1=O 0020AD [0,1,0,0,0,0|1,0,0]=2 95 B7R1.4 NC1COCC1O 5780AA [0,1,0,0,0,0|1,0,2]=4 96 B7R1.4 NC1CSCC1O 0027AD [0,1,0,0,0,0|1,0,2]=4 97 B7R1.4 N[C@@H]1CCNC1=O X9462 [0,1,0,0,0,0|1,0,0]=2 98 B7R1.4 N[C@@H]1COC[C@H]1O 8700AH [0,1,0,0,0,0|1,0,2]=4 99 B7R1.4 N[C@H]1CCSC1=O S502 [0,1,0,0,0,0|1,0,0]=2 100 B7R1.4 N[C@H]1COC[C@@H]1O 4688AJ [0,1,0,0,0,0|1,0,2]=4 101 B7R1.4 N[C@H]1COC[C@@H]1O 8683AH [0,1,0,0,0,0|1,0,2]=4 102 B7R1.4 O=C1CCC=C1Br 8037AC [0,1,0,0,0,0|0,0,2]=3 103 B7R1.4 O=C1CCCC1Br X5623 [0,1,0,0,0,0|0,0,0]=1 104 B7R1.4 O=C1CCCC1Cl W7923 [0,1,0,0,0,0|0,0,0]=1 105 B7R1.4 O=C1OCC[C@H]1O 8329AB [0,1,0,0,0,0|1,0,0]=2 106 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [0,1,0,0,0,0|0,0,2]=3 107 B7R1.4 O[C@H]1CNC[C@@H]1O Z4539 [0,1,0,0,0,0|1,0,2]=4 108 B7R1.14 CC1(C)CCNC1 2404AC [0,1,0,0,0,0|2,0,1]=4 109 B5R0.1 C=C(C)CCBr Z4377 [0,0,1,0,0,0|2,0,0]=3 110 B5R0.1 C=C(C)CON 4430AJ [0,0,1,0,0,0|3,0,0]=4 111 B5R0.1 C=CCC(=C)C 5694AL [0,0,1,0,0,0|1,0,2]=4 112 B5R0.1 C=CCC(N)=O Y1568 [0,0,1,0,0,0|1,0,2]=4 113 B5R0.1 CC(C)=CCCl 7671AJ [0,0,1,0,0,0|2,0,1]=4 114 B5R0.1 CC(C)CCCl 7326AF [0,0,1,0,0,0|2,0,1]=4 115 B5R0.1 CCC=C(C)C 7499AF [0,0,1,0,0,0|1,0,1]=3 116 B5R0.1 CCOC(C)C 7879AL [0,0,1,0,0,0|2,0,1]=4 117 B5R0.1 CCSC(C)C 7880AL [0,0,1,0,0,0|2,0,1]=4 118 B5R0.1 CNCC(C)=O 4565AF [0,0,1,0,0,0|1,0,0]=2 119 B5R0.1 CNCC(C)C 8603AL [0,0,1,0,0,0|2,0,1]=4 120 B5R0.1 CNCC(C)O 5343AD [0,0,1,0,0,0|1,0,2]=4 121 B5R0.1 CNOC(C)=O 8699AL [0,0,1,0,0,0|2,0,0]=3 122 B5R0.1 COCC(=N)N 1769AJ [0,0,1,0,0,0|3,0,0]=4 123 B5R0.1 COCC(C)N 0442AC [0,0,1,0,0,0|2,0,1]=4 124 B5R0.1 COC[C@H](C)O W4988 [0,0,1,0,0,0|1,0,2]=4 125 B5R0.1 CS(=O)CCN 4290AE [0,0,1,0,0,0|2,0,0]=3 126 B5R0.1 CSCC(=N)N 1816AJ [0,0,1,0,0,0|3,0,0]=4 127 B5R0.1 C[C@H](N)CCO 3502AC [0,0,1,0,0,0|2,0,1]=4 128 B5R0.1 C\C(Cl)=C/CCl 4550AL [0,0,1,0,0,0|2,0,1]=4 129 B5R0.1 C\C(Cl)=C\CN 9653AD [0,0,1,0,0,0|2,0,1]=4 130 B5R0.1 C\C(Cl)=C\CO X6578 [0,0,1,0,0,0|2,0,1]=4 131 B5R0.1 NOCC(=O)O 2959AB [0,0,1,0,0,0|3,0,0]=4 132 B5R0.1 O=C(O)CCF 6350AB [0,0,1,0,0,0|2,0,0]=3 133 B5R0.2 C#CCCCBr 9466AL [0,0,1,0,0,0|2,0,1]=4 134 B5R0.2 C=CCCC#N 8813AB [0,0,1,0,0,0|2,0,1]=4 135 B5R0.2 C=CCCCN 7616AH [0,0,1,0,0,0|2,0,0]=3 136 B5R0.2 C=CCCON 2267AA [0,0,1,0,0,0|3,0,0]=4 137 B5R0.2 C=CCOCC 5601AE [0,0,1,0,0,0|2,0,0]=3 138 B5R0.2 C=CCSSC 7031AL [0,0,1,0,0,0|3,0,0]=4 139 B5R0.2 CCCCOC 7303AL [0,0,1,0,0,0|2,0,0]=3 140 B5R0.2 CCCNCC 8554AL [0,0,1,0,0,0|2,0,1]=4 141 B5R0.2 CCCOCC 7892AL [0,0,1,0,0,0|2,0,1]=4 142 B5R0.2 CCCOCCl 4494AB [0,0,1,0,0,0|2,0,1]=4 143 B5R0.2 CCCSCC R576 [0,0,1,0,0,0|2,0,1]=4 144 B5R0.2 CCOCCCl 7903AJ [0,0,1,0,0,0|2,0,1]=4 145 B5R0.2 CCOCCN 3903AD [0,0,1,0,0,0|2,0,1]=4 146 B5R0.2 CNCCSC 7146AJ [0,0,1,0,0,0|3,0,0]=4 147 B5R0.2 COCCCI 9890AH [0,0,1,0,0,0|2,0,1]=4 148 B5R0.2 COCCON Y9404 [0,0,1,0,0,0|3,0,0]=4 149 B5R0.2 [C-]#[N+]CCOC V5938 [0,0,1,0,0,0|3,0,0]=4 150 B5R0.3 C=C(SC)SC 4356AL [0,0,1,0,0,0|3,0,0]=4 151 B5R0.3 CCC(=O)CN X8894 [0,0,1,0,0,0|1,0,0]=2 152 B5R0.3 CCC(=O)CO X5132 [0,0,1,0,0,0|1,0,0]=2 153 B5R0.3 CCC(=S)OC R571 [0,0,1,0,0,0|1,1,0]=3 154 B5R0.3 CCC(C)CCl U282 [0,0,1,0,0,0|2,0,1]=4 155 B5R0.3 CCC(C)CS U578 [0,0,1,0,0,0|2,0,1]=4 156 B5R0.3 CCC(O)CBr 4766AL [0,0,1,0,0,0|1,0,2]=4 157 B5R0.3 CCC(S)CS 4441AL [0,0,1,0,0,0|1,1,1]=4 158 B5R0.3 CNC(=O)NN 9285AA [0,0,1,0,0,0|3,0,0]=4 159 B5R0.3 C\C=C(/C)CC 0241AQ [0,0,1,0,0,0|1,0,1]=3 160 B5R0.3 C\C=C(/C)CC 9220AL [0,0,1,0,0,0|1,0,1]=3 161 B5R0.3 C\C=C(\C)CC 7440AL [0,0,1,0,0,0|1,0,1]=3 162 B7R2.13 C1CC2CC2N1 1555AJ [0,0,0,1,0,0|2,0,1]=4 163 B7R2.13 C1NCC2CC12 2805AB [0,0,0,1,0,0|2,0,1]=4 164 B5R1.2 IC1CNC1 2304AJ [0,0,0,0,1,0|2,0,1]=4 165 B7R1.3 BrC1CCCOC1 X9769 [0,0,0,0,0,1|1,0,1]=3 166 B7R1.3 CC1=CCC=CC1 7751AF [0,0,0,0,0,1|1,0,2]=4 167 B7R1.3 CC1=CCCNC1 V9748 [0,0,0,0,0,1|1,0,1]=3 168 B7R1.3 CC1C=CCCC1 6090AL [0,0,0,0,0,1|1,0,2]=4 169 B7R1.3 CC1CCCCN1 7117AB [0,0,0,0,0,1|1,0,1]=3 170 B7R1.3 CC1CCOCO1 8171AJ [0,0,0,0,0,1|2,0,1]=4 171 B7R1.3 C[C@H]1CNCCO1 W8218 [0,0,0,0,0,1|2,0,1]=4 172 B7R1.3 ClC1=CCCCC1 5746AC [0,0,0,0,0,1|1,0,0]=2 173 B7R1.3 ClN1CCOCC1 X5216 [0,0,0,0,0,1|2,0,0]=3 174 B7R1.3 FC1CCCCC1 1850AE [0,0,0,0,0,1|1,0,1]=3 175 B7R1.3 IC1CCNCC1 Z9919 [0,0,0,0,0,1|1,0,1]=3 176 B7R1.3 IC1CCOCC1 W4893 [0,0,0,0,0,1|1,0,1]=3 177 B7R1.3 NC1CC=CCC1 3966AJ [0,0,0,0,0,1|1,0,2]=4 178 B7R1.3 NC1CCCOC1 X9447 [0,0,0,0,0,1|1,0,1]=3 179 B7R1.3 N[C@H]1CCCNC1 Y4134 [0,0,0,0,0,1|1,0,1]=3 180 B7R1.3 O=C1C=CCCO1 X2978 [0,0,0,0,0,1|0,0,2]=3 181 B7R1.3 O=C1C=CCOC1 6867AC [0,0,0,0,0,1|0,0,2]=3 182 B7R1.3 O=C1NCCCO1 V6397 [0,0,0,0,0,1|1,0,0]=2 183 B7R1.3 S=C1NCCCS1 5563AE [0,0,0,0,0,1|1,1,0]=3 184 B4R0.1 CC(=O)NBr 6847AF [1,0,1,0,0,0|2,0,0]=4 185 B4R0.1 CCC(=O)Br C859 [1,0,1,0,0,0|1,0,0]=3 186 B4R0.1 CSC(C)=O 9061AJ [1,0,1,0,0,0|1,0,0]=3 187 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,1,0,0,0|1,0,1]=4 188 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,1,0,0,0|1,0,1]=4 189 B4R0.1 NCC(=O)O 7986AL [1,0,1,0,0,0|2,0,0]=4 190 B4R0.1 NCC(=O)[O-] P522 [1,0,1,0,0,0|2,0,0]=4 191 B4R0.1 NCC(=O)[O-] Z1943 [1,0,1,0,0,0|2,0,0]=4 192 B4R0.2 CCCCF 8004AD [1,0,1,0,0,0|1,0,0]=3 193 B4R0.2 CCCCN 7306AL [1,0,1,0,0,0|1,0,0]=3 194 B4R0.2 CCCNN 4415AE [1,0,1,0,0,0|2,0,0]=4 195 B4R0.2 CCCOC 4896AL [1,0,1,0,0,0|1,0,0]=3 196 B4R0.2 CCCSC U677 [1,0,1,0,0,0|1,0,0]=3 197 B4R0.2 CCNCC 7650AL [1,0,1,0,0,0|1,0,0]=3 198 B4R0.2 CSCCCl 7809AB [1,0,1,0,0,0|2,0,0]=4 199 B4R0.2 C\C=C/CC 7428AL [1,0,1,0,0,0|0,0,1]=3 200 B4R0.2 C\C=C\SC AMTGC066 [1,0,1,0,0,0|1,0,1]=4 201 B6R0.1 C#CCC(=O)OC 3698AB [0,1,1,0,0,0|0,0,2]=4 202 B6R0.1 C=CC(C)CCC 6092AL [0,1,1,0,0,0|1,0,1]=4 203 B6R0.1 CC#CC(=O)OC X7106 [0,1,1,0,0,0|0,0,2]=4 204 B6R0.1 CCC(=O)CSC K829 [0,1,1,0,0,0|1,0,0]=3 205 B6R0.1 CCCC(=O)SC 8847AJ [0,1,1,0,0,0|0,0,0]=2 206 B6R0.1 CCCC(Br)CC 3975AB [0,1,1,0,0,0|1,0,1]=4 207 B6R0.1 CCCC(C)CC 7810AF [0,1,1,0,0,0|1,0,1]=4 208 B6R0.1 CCCC(C)CO 1207AA [0,1,1,0,0,0|0,0,2]=4 209 B6R0.1 CCCC(O)CC 7557AF [0,1,1,0,0,0|0,0,2]=4 210 B6R0.1 CCC\C(N)=N\O 8990AD [0,1,1,0,0,0|1,0,1]=4 211 B6R0.1 CCOC(=N)CC 8352AC [0,1,1,0,0,0|2,0,0]=4 212 B6R0.1 CNC(=O)CCN 4757AE [0,1,1,0,0,0|1,0,0]=3 213 B6R0.1 CNC(=O)CCO 8079AE [0,1,1,0,0,0|1,0,0]=3 214 B6R0.1 COC(=O)CCCl X6204 [0,1,1,0,0,0|1,0,0]=3 215 B6R0.1 COCC(=O)OC J70196 [0,1,1,0,0,0|1,0,0]=3 216 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [0,1,1,0,0,0|1,0,1]=4 217 B6R0.2 CC(=O)SC(C)=O 7216AF [0,1,1,0,0,0|1,0,1]=4 218 B6R0.2 CC(C)CC(C)C 7809AF [0,1,1,0,0,0|1,0,1]=4 219 B6R0.2 CC(C)CC(C)N I823 [0,1,1,0,0,0|1,0,1]=4 220 B6R0.2 CC(N)CN(C)C 8452AC [0,1,1,0,0,0|2,0,0]=4 221 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,1,1,0,0,0|2,0,0]=4 222 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,1,1,0,0,0|2,0,0]=4 223 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,1,1,0,0,0|1,0,0]=3 224 B6R0.2 C[C@H](O)CN(C)C 7646AB [0,1,1,0,0,0|2,0,0]=4 225 B6R0.3 CC(=O)C(=O)CCl 5581AE [0,1,1,0,0,0|1,0,1]=4 226 B6R0.3 CC(=O)C(N)CO 6844AC [0,1,1,0,0,0|1,0,0]=3 227 B6R0.3 CC(CO)C(=O)O Z7389 [0,1,1,0,0,0|2,0,0]=4 228 B6R0.3 CCC(C)C(C)=O U423 [0,1,1,0,0,0|0,0,0]=2 229 B6R0.3 CCC(C)C(C)C 5239AL [0,1,1,0,0,0|1,0,1]=4 230 B6R0.3 CCC(O)C(=O)[O-] 8154AL [0,1,1,0,0,0|1,0,0]=3 231 B6R0.3 CCC(S)C(C)=O 9471AJ [0,1,1,0,0,0|0,0,0]=2 232 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,1,1,0,0,0|1,0,0]=3 233 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,1,1,0,0,0|1,0,0]=3 234 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,1,1,0,0,0|1,0,0]=3 235 B6R0.3 CSC(C)C(=O)O 6148AE [0,1,1,0,0,0|2,0,0]=4 236 B6R0.3 CSC(C)C(C)=O 6125AL [0,1,1,0,0,0|1,0,0]=3 237 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,1,1,0,0,0|2,0,0]=4 238 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,1,1,0,0,0|2,0,0]=4 239 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,1,1,0,0,0|0,0,2]=4 240 B6R0.3 NC(=O)C(Br)CBr 5213AL [0,1,1,0,0,0|2,0,0]=4 241 B6R0.3 NC(=O)C(Cl)CCl 5220AL [0,1,1,0,0,0|2,0,0]=4 242 B6R0.3 NC(=O)C(N)CO 2131AB [0,1,1,0,0,0|2,0,0]=4 243 B6R0.3 NCC(N)C(=O)O 3293AL [0,1,1,0,0,0|2,0,0]=4 244 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,1,1,0,0,0|2,0,0]=4 245 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [0,1,1,0,0,0|2,0,0]=4 246 B6R0.3 O=C(O)C(Cl)CO 0455AQ [0,1,1,0,0,0|2,0,0]=4 247 B6R0.3 O=C(O)C(O)CCl 2399AL [0,1,1,0,0,0|2,0,0]=4 248 B6R0.3 O=C([O-])C(O)CO 7310AL [0,1,1,0,0,0|2,0,0]=4 249 B6R0.4 C#CCCC(=O)[O-] 4056AH [0,1,1,0,0,0|1,0,1]=4 250 B6R0.4 C#CCNC(C)=O 3665AL [0,1,1,0,0,0|0,0,2]=4 251 B6R0.4 C=C(C)CCCC 5699AL [0,1,1,0,0,0|1,0,0]=3 252 B6R0.4 C=C(C)CCCO 2774AL [0,1,1,0,0,0|1,0,0]=3 253 B6R0.4 C=CCCC(=C)C 5696AL [0,1,1,0,0,0|1,0,1]=4 254 B6R0.4 CC(=O)NCCCl W8163 [0,1,1,0,0,0|1,0,0]=3 255 B6R0.4 CC(=O)OCCCl 7237AF [0,1,1,0,0,0|1,0,0]=3 256 B6R0.4 CC(=O)SCC#N 6370AE [0,1,1,0,0,0|1,0,1]=4 257 B6R0.4 CC(=O)SCCN 5884AD [0,1,1,0,0,0|1,0,0]=3 258 B6R0.4 CC(C)CCCCl 6814AE [0,1,1,0,0,0|1,0,1]=4 259 B6R0.4 CC(C)CCCN 7575AF [0,1,1,0,0,0|1,0,1]=4 260 B6R0.4 CCCC=C(C)C 5704AL [0,1,1,0,0,0|1,0,0]=3 261 B6R0.4 CCCCC(=O)Br 7391AF [0,1,1,0,0,0|1,0,0]=3 262 B6R0.4 CCCCC(C)C 5734AL [0,1,1,0,0,0|1,0,1]=4 263 B6R0.4 CCCCC(C)Cl 5578AL [0,1,1,0,0,0|1,0,1]=4 264 B6R0.4 CCCCC(C)O 9467AB [0,1,1,0,0,0|0,0,2]=4 265 B6R0.4 CCCNC(C)C 7560AH [0,1,1,0,0,0|1,0,1]=4 266 B6R0.4 CCCNC(N)=S 3447AF [0,1,1,0,0,0|1,1,0]=4 267 B6R0.4 CCCO[N+](=O)[O-] X5340 [0,1,1,0,0,0|2,0,0]=4 268 B6R0.4 CCCSC(C)C 8111AL [0,1,1,0,0,0|1,0,1]=4 269 B6R0.4 CCNCC(=O)O X5133 [0,1,1,0,0,0|1,0,0]=3 270 B6R0.4 CCNCC(C)O 2626AE [0,1,1,0,0,0|0,0,2]=4 271 B6R0.4 CNCCC(=O)O 5026AF [0,1,1,0,0,0|1,0,0]=3 272 B6R0.4 CNCCN(C)C J70105 [0,1,1,0,0,0|2,0,0]=4 273 B6R0.4 COCCC(C)=O B939 [0,1,1,0,0,0|0,0,0]=2 274 B6R0.4 CSSCC(=O)O KMA0116 [0,1,1,0,0,0|2,0,0]=4 275 B6R0.4 NC(=O)CCCCl Y1653 [0,1,1,0,0,0|1,0,0]=3 276 B6R0.4 NC(=O)NCCCl 5576AL [0,1,1,0,0,0|2,0,0]=4 277 B6R0.4 NC(=O)OCCCl 7044AF [0,1,1,0,0,0|2,0,0]=4 278 B6R0.4 O=C(O)CCCS 7264AF [0,1,1,0,0,0|1,0,0]=3 279 B6R0.5 CS(=O)(=O)CCBr 5490AJ [0,1,1,0,0,0|2,0,0]=4 280 B6R0.5 CS(=O)(=O)CCCl 4525AE [0,1,1,0,0,0|2,0,0]=4 281 B6R0.6 C=CCCCC#N 6777AL [0,1,1,0,0,0|1,0,1]=4 282 B6R0.6 C=CCC\C=C\C 4658AL [0,1,1,0,0,0|1,0,1]=4 283 B6R0.6 C=CCOCCCl 1941AJ [0,1,1,0,0,0|2,0,0]=4 284 B6R0.6 C=CCSCCC R577 [0,1,1,0,0,0|1,0,0]=3 285 B6R0.6 C=COCCCN 0206AC [0,1,1,0,0,0|2,0,0]=4 286 B6R0.6 CC#CCCCC 5638AL [0,1,1,0,0,0|1,0,1]=4 287 B6R0.6 CCCCCC#N 8042AL [0,1,1,0,0,0|1,0,1]=4 288 B6R0.6 CCCCCSC 7567AF [0,1,1,0,0,0|0,1,1]=4 289 B6R0.6 CCCCOCC 7302AL [0,1,1,0,0,0|1,0,1]=4 290 B6R0.6 CCCCOCCl S779 [0,1,1,0,0,0|1,0,1]=4 291 B6R0.6 CCCOCCC 7558AF [0,1,1,0,0,0|1,0,1]=4 292 B6R0.6 CCCOCCN 5789AL [0,1,1,0,0,0|1,0,1]=4 293 B6R0.6 CCCSCCC 7569AF [0,1,1,0,0,0|1,0,1]=4 294 B6R0.6 CCC\C=C/CO 7423AL [0,1,1,0,0,0|0,0,2]=4 295 B6R0.6 CCNCCCN 8239AC [0,1,1,0,0,0|1,0,1]=4 296 B6R0.6 CCNCCCO 5711AJ [0,1,1,0,0,0|0,0,2]=4 297 B6R0.6 CCOCCCO D587 [0,1,1,0,0,0|0,0,2]=4 298 B6R0.6 CCOCCNC 5385AD [0,1,1,0,0,0|2,0,0]=4 299 B6R0.6 CC\C=C\CCC 9219AL [0,1,1,0,0,0|1,0,1]=4 300 B6R0.6 COCCCCN AMTGC536 [0,1,1,0,0,0|1,0,1]=4 301 B6R0.6 C\C=C/CCCC 7422AL [0,1,1,0,0,0|1,0,0]=3 302 B6R0.6 C\C=C/CCCCl 7455AL [0,1,1,0,0,0|1,0,1]=4 303 B6R0.6 C\C=C\CCCC 7780AF [0,1,1,0,0,0|1,0,0]=3 304 B6R0.6 C\C=C\SCCC U946 [0,1,1,0,0,0|1,0,1]=4 305 B6R0.6 O=CCCCCO Z3600 [0,1,1,0,0,0|0,0,0]=2 306 B6R0.6 [C-]#[N+]CCCOC Y2595 [0,1,1,0,0,0|2,0,0]=4 307 B6R0.8 CCC(C)(N)CC 1117AE [0,1,1,0,0,0|1,0,1]=4 308 B6R0.8 CC[Si](Cl)(Cl)CC 8547AJ [0,1,1,0,0,0|1,1,0]=4 309 B6R0.9 CCC(CC)CBr 2060AE [0,1,1,0,0,0|1,0,1]=4 310 B6R0.9 CCC(CC)NC 7289AJ [0,1,1,0,0,0|1,0,1]=4 311 B6R0.9 CC[Si](CC)CC J70030 [0,1,1,0,0,0|1,1,0]=4 312 B6R1.5 CN1CC(N)C1 6718AC [0,1,0,0,1,0|2,0,0]=4 313 B6R1.5 CN1CC(O)C1 8767AC [0,1,0,0,1,0|2,0,0]=4 314 B6R1.5 NC1CC(O)C1 0869AA [0,1,0,0,1,0|0,0,2]=4 315 B6R1.5 O=C1CC(Br)C1 8034AD [0,1,0,0,1,0|0,0,0]=2 316 B6R1.6 CNC1CCC1 4414AJ [0,1,0,0,1,0|1,0,1]=4 317 B6R1.6 CNC1CCC1 X2043 [0,1,0,0,1,0|1,0,1]=4 318 B6R1.6 NNC1CCC1 3961AJ [0,1,0,0,1,0|1,0,1]=4 319 B6R1.6 O=CC1COC1 5573AA [0,1,0,0,1,0|1,0,1]=4 320 B6R1.6 ON=C1CCC1 3048AB [0,1,0,0,1,0|0,0,1]=3 321 B6R1.10 CC1(N)CCC1 X5278 [0,1,0,0,1,0|1,0,1]=4 322 B6R1.10 O=S1(=O)CCC1 V6677 [0,1,0,0,1,0|1,0,0]=3 323 B8R1.2 BrCC1CCCCN1 4115AB [0,1,0,0,0,1|1,0,1]=4 324 B8R1.2 BrCC1CCCOC1 2659AA [0,1,0,0,0,1|1,0,1]=4 325 B8R1.2 BrCC1CCNCC1 X0255 [0,1,0,0,0,1|1,0,1]=4 326 B8R1.2 C#CC1CCOCC1 0859AD [0,1,0,0,0,1|1,0,1]=4 327 B8R1.2 C=CC1CCCCC1 Z3463 [0,1,0,0,0,1|1,0,1]=4 328 B8R1.2 CCC1CCCCC1 8567AA [0,1,0,0,0,1|1,0,1]=4 329 B8R1.2 CCC1CCCNC1 6423AA [0,1,0,0,0,1|1,0,1]=4 330 B8R1.2 CC[C@@H]1CCCCN1 0072AQ [0,1,0,0,0,1|1,0,1]=4 331 B8R1.2 CNC1CCCNC1 7535AA [0,1,0,0,0,1|1,0,1]=4 332 B8R1.2 CNC1CCCOC1 2031AJ [0,1,0,0,0,1|1,0,1]=4 333 B8R1.2 CNC1CCCOC1 4420AJ [0,1,0,0,0,1|1,0,1]=4 334 B8R1.2 COC1CCCCC1 7515AL [0,1,0,0,0,1|0,0,2]=4 335 B8R1.2 CSC1=NCCCS1 6152AE [0,1,0,0,0,1|1,1,0]=4 336 B8R1.2 CSC1CCNCC1 W4370 [0,1,0,0,0,1|0,1,1]=4 337 B8R1.2 FCC1CCCCN1 1886AF [0,1,0,0,0,1|1,0,1]=4 338 B8R1.2 FCC1CCNCC1 9762AE [0,1,0,0,0,1|1,0,1]=4 339 B8R1.2 ICC1CCNCC1 6189AJ [0,1,0,0,0,1|1,0,1]=4 340 B8R1.2 N#CC1CCCCN1 W6222 [0,1,0,0,0,1|1,0,1]=4 341 B8R1.2 N#CC1CCCNC1 W8248 [0,1,0,0,0,1|1,0,1]=4 342 B8R1.2 N#CC1CCSCC1 0101AB [0,1,0,0,0,1|1,0,1]=4 343 B8R1.2 NCC1=CCCCC1 3737AB [0,1,0,0,0,1|1,0,0]=3 344 B8R1.2 NCC1CCCCN1 8197AB [0,1,0,0,0,1|1,0,1]=4 345 B8R1.2 NCC1CCCCO1 Y9814 [0,1,0,0,0,1|1,0,1]=4 346 B8R1.2 NNC1CCNCC1 2019AE [0,1,0,0,0,1|1,0,1]=4 347 B8R1.2 O=CC1=CCCOC1 Z4103 [0,1,0,0,0,1|0,0,1]=3 348 B8R1.2 O=CC1CCCCN1 X3865 [0,1,0,0,0,1|0,0,1]=3 349 B8R1.2 O=CC1CCCNC1 4398AB [0,1,0,0,0,1|0,0,1]=3 350 B8R1.2 O=CC1CCNCC1 0201AP [0,1,0,0,0,1|0,0,1]=3 351 B8R1.2 O=NN1CCOCC1 8616AL [0,1,0,0,0,1|1,0,0]=3 352 B8R1.2 OCC1CCCNC1 W3153 [0,1,0,0,0,1|0,0,2]=4 353 B8R1.2 OCC1CCNCC1 J70061 [0,1,0,0,0,1|0,0,2]=4 354 B8R1.2 OCC1CCSCC1 Y6767 [0,1,0,0,0,1|0,0,2]=4 355 B8R1.3 CC1CCC(C)CC1 7953AF [0,1,0,0,0,1|1,0,1]=4 356 B8R1.3 CC1CNC(=O)CO1 6453AJ [0,1,0,0,0,1|1,0,0]=3 357 B8R1.3 CN1CCC(=O)CC1 A394 [0,1,0,0,0,1|0,0,0]=2 358 B8R1.3 CN1CCC(Br)CC1 7812AB [0,1,0,0,0,1|1,0,1]=4 359 B8R1.3 CN1CCC(Br)CC1 N805 [0,1,0,0,0,1|1,0,1]=4 360 B8R1.3 C[C@H]1CC[C@@H](C)CC1 7416AL [0,1,0,0,0,1|1,0,1]=4 361 B8R1.3 C[C@H]1CC[C@@H](N)CC1 3945AJ [0,1,0,0,0,1|1,0,1]=4 362 B8R1.3 C[C@H]1CC[C@H](C)CC1 3891AL [0,1,0,0,0,1|1,0,1]=4 363 B8R1.3 Cl[C@H]1CC[C@H](Cl)CC1 9194AL [0,1,0,0,0,1|1,0,1]=4 364 B8R1.3 NC1CCC(=O)NC1 7736AA [0,1,0,0,0,1|0,0,0]=2 365 B8R1.3 NC1CCC(O)CC1 W7862 [0,1,0,0,0,1|0,0,2]=4 366 B8R1.3 NN1CCC(O)CC1 2414AC [0,1,0,0,0,1|0,0,2]=4 367 B8R1.3 N[C@H]1CCC(=O)NC1 0353AC [0,1,0,0,0,1|0,0,0]=2 368 B8R1.3 O=C1CCC(=O)NC1 7306AB [0,1,0,0,0,1|0,0,1]=3 369 B8R1.3 O=C1CCS(=O)CC1 5611AD [0,1,0,0,0,1|0,0,0]=2 370 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [0,1,0,0,0,1|0,0,0]=2 371 B8R1.3 O[C@H]1CC[C@@H](O)CC1 U023 [0,1,0,0,0,1|0,0,2]=4 372 B8R1.4 CC1CC(=O)CCN1 1072AC [0,1,0,0,0,1|0,0,0]=2 373 B8R1.4 CC1CC(=O)CCN1 6568AA [0,1,0,0,0,1|0,0,0]=2 374 B8R1.4 CC1CC(N)CCO1 1818AJ [0,1,0,0,0,1|1,0,1]=4 375 B8R1.4 CC1CC(O)CCN1 1810AJ [0,1,0,0,0,1|0,0,2]=4 376 B8R1.4 CC1CCCC(N)C1 W7860 [0,1,0,0,0,1|1,0,1]=4 377 B8R1.4 CC1CCN=C(N)S1 1614AH [0,1,0,0,0,1|2,0,0]=4 378 B8R1.4 CC1CN(C)CCN1 Z2448 [0,1,0,0,0,1|2,0,0]=4 379 B8R1.4 CC1CNCC(=O)N1 3610AJ [0,1,0,0,0,1|1,0,0]=3 380 B8R1.4 CC1COCC(=O)N1 V7159 [0,1,0,0,0,1|1,0,0]=3 381 B8R1.4 CN1CCC=C(Br)C1 2180AJ [0,1,0,0,0,1|1,0,1]=4 382 B8R1.4 CN1CCCC(=O)C1 9933AH [0,1,0,0,0,1|0,0,0]=2 383 B8R1.4 CN1CCCC(=O)C1 9934AH [0,1,0,0,0,1|0,0,0]=2 384 B8R1.4 CN1CCCC(=O)C1 W6919 [0,1,0,0,0,1|0,0,0]=2 385 B8R1.4 CN1CCC[C@@H](N)C1 8990AH [0,1,0,0,0,1|1,0,1]=4 386 B8R1.4 CN1CCC[C@@H](O)C1 Z2109 [0,1,0,0,0,1|0,0,2]=4 387 B8R1.4 CN1CCC[C@H](N)C1 9156AH [0,1,0,0,0,1|1,0,1]=4 388 B8R1.4 CN1CCC[C@H](O)C1 Z2139 [0,1,0,0,0,1|0,0,2]=4 389 B8R1.4 C[C@@H]1CCC[C@@H](C)C1 9192AL [0,1,0,0,0,1|1,0,1]=4 390 B8R1.4 C[C@@H]1CN(C)CCN1 8938AH [0,1,0,0,0,1|2,0,0]=4 391 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [0,1,0,0,0,1|1,0,0]=3 392 B8R1.4 C[C@H]1CCC[C@@H](C)C1 7412AL [0,1,0,0,0,1|1,0,1]=4 393 B8R1.4 N[C@H]1CCC[C@@H](N)C1 7409AL [0,1,0,0,0,1|1,0,1]=4 394 B8R1.4 N[C@H]1CCC[C@H](N)C1 9190AL [0,1,0,0,0,1|1,0,1]=4 395 B8R1.4 O=C1CNCC(=O)N1 4515AB [0,1,0,0,0,1|1,0,1]=4 396 B8R1.4 O=C1COCC(=O)N1 7446AH [0,1,0,0,0,1|1,0,1]=4 397 B8R1.4 O=C1CSCC(=O)C1 W7877 [0,1,0,0,0,1|0,0,1]=3 398 B8R1.4 O=C1C[C@@H](O)CCN1 W6428 [0,1,0,0,0,1|0,0,0]=2 399 B8R1.4 O=C1[CH-]C(=O)COC1 W9025 [0,1,0,0,0,1|0,0,2]=4 400 B8R1.4 O[C@@H]1CCC[C@@H](O)C1 9191AL [0,1,0,0,0,1|0,0,2]=4 401 B8R1.4 O[C@H]1CCC[C@@H](O)C1 7408AL [0,1,0,0,0,1|0,0,2]=4 402 B8R1.5 CC1CCCCC1C 4454AL [0,1,0,0,0,1|1,0,1]=4 403 B8R1.5 CC1CCCNC1C 7615AB [0,1,0,0,0,1|1,0,1]=4 404 B8R1.5 CC1CCCOC1=O 3885AL [0,1,0,0,0,1|0,0,0]=2 405 B8R1.5 CC1CCNCC1O 2895AJ [0,1,0,0,0,1|0,0,2]=4 406 B8R1.5 CC1CNCCC1O 3930AB [0,1,0,0,0,1|0,0,2]=4 407 B8R1.5 CC1COCCC1=O Z3955 [0,1,0,0,0,1|0,0,0]=2 408 B8R1.5 CC1COCCC1N 2364AJ [0,1,0,0,0,1|1,0,1]=4 409 B8R1.5 CC1COCCC1O 2365AJ [0,1,0,0,0,1|0,0,2]=4 410 B8R1.5 CC1OCCNC1=O 5590AJ [0,1,0,0,0,1|1,0,0]=3 411 B8R1.5 CN1CCNCC1=O 1842AA [0,1,0,0,0,1|1,0,0]=3 412 B8R1.5 CN1CCNCC1=O 7723AJ [0,1,0,0,0,1|1,0,0]=3 413 B8R1.5 C[C@@H]1CCCC[C@@H]1O 7425AL [0,1,0,0,0,1|0,0,2]=4 414 B8R1.5 C[C@@H]1CCNC[C@H]1O 4686AJ [0,1,0,0,0,1|0,0,2]=4 415 B8R1.5 C[C@@H]1CNCCN1C 8539AH [0,1,0,0,0,1|2,0,0]=4 416 B8R1.5 C[C@@H]1CNCCN1C 8540AH [0,1,0,0,0,1|2,0,0]=4 417 B8R1.5 C[C@@H]1NCCNC1=O 2295AC [0,1,0,0,0,1|1,0,0]=3 418 B8R1.5 C[C@H]1CCCC[C@@H]1C 9189AL [0,1,0,0,0,1|1,0,1]=4 419 B8R1.5 C[C@H]1CCCC[C@H]1C 7956AF [0,1,0,0,0,1|1,0,1]=4 420 B8R1.5 C[C@H]1CNCCN1C 9092AH [0,1,0,0,0,1|2,0,0]=4 421 B8R1.5 C[C@H]1NCCNC1=O 5574AC [0,1,0,0,0,1|1,0,0]=3 422 B8R1.5 FC1CCCCC1Br 7512AE [0,1,0,0,0,1|1,0,1]=4 423 B8R1.5 NC1CCCCC1=O 0726AC [0,1,0,0,0,1|0,0,0]=2 424 B8R1.5 NC1CCNCC1O 0385AQ [0,1,0,0,0,1|0,0,2]=4 425 B8R1.5 NC1COCCC1O Y6179 [0,1,0,0,0,1|0,0,2]=4 426 B8R1.5 NN1CCCCC1=O 3513AB [0,1,0,0,0,1|0,0,0]=2 427 B8R1.5 NN1CCCCC1=O Z4590 [0,1,0,0,0,1|0,0,0]=2 428 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [0,1,0,0,0,1|0,0,0]=2 429 B8R1.5 N[C@H]1CCCC[C@H]1N 0141AA [0,1,0,0,0,1|1,0,1]=4 430 B8R1.5 N[C@H]1CCCC[C@H]1O 0705AC [0,1,0,0,0,1|0,0,2]=4 431 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [0,1,0,0,0,1|0,0,0]=2 432 B8R1.5 O=C1CCCC=C1Br V6293 [0,1,0,0,0,1|0,0,1]=3 433 B8R1.5 O=C1CCCCC1Cl 7902AJ [0,1,0,0,0,1|0,0,0]=2 434 B8R1.5 O=C1NCCCC1Br 4146AB [0,1,0,0,0,1|0,0,0]=2 435 B8R1.5 O=C1NCCNC1=O 3615AD [0,1,0,0,0,1|1,0,1]=4 436 B8R1.5 O[C@@H]1CCCC[C@H]1F 0067AC [0,1,0,0,0,1|0,0,2]=4 437 B8R1.5 O[C@H]1CCNC[C@@H]1O 5210AB [0,1,0,0,0,1|0,0,2]=4 438 B8R1.5 [NH-]C1CCCCC1[NH-] Z1842 [0,1,0,0,0,1|1,0,1]=4 439 B8R1.72 CC1(C)CCCCN1 1328AJ [0,1,0,0,0,1|1,0,1]=4 440 B8R1.72 CC1(N)CCCCC1 X6756 [0,1,0,0,0,1|1,0,1]=4 441 B8R1.72 CC1(N)CCCOC1 2360AJ [0,1,0,0,0,1|1,0,1]=4 442 B8R1.72 CC1(N)CCNCC1 6612AB [0,1,0,0,0,1|1,0,1]=4 443 B8R1.72 CC1(N)CCOCC1 0694AC [0,1,0,0,0,1|1,0,1]=4 444 B8R1.72 N=S1(=O)CCOCC1 X2152 [0,1,0,0,0,1|1,0,0]=3 445 B8R1.1 C=CC1CCC(=O)N1 X4185 [0,2,0,0,0,0|1,0,0]=3 446 B8R1.1 CN1CCC(CBr)C1 4110AD [0,2,0,0,0,0|2,0,0]=4 447 B8R1.1 CN1CCC(CCl)C1 5705AJ [0,2,0,0,0,0|2,0,0]=4 448 B8R1.1 CN1CCC(CCl)C1 8710AB [0,2,0,0,0,0|2,0,0]=4 449 B8R1.1 CN1CCC(CN)C1 5417AA [0,2,0,0,0,0|2,0,0]=4 450 B8R1.1 CN1CC[C@@H](CO)C1 3687AA [0,2,0,0,0,0|2,0,0]=4 451 B8R1.1 CN1CC[C@H](CO)C1 9151AH [0,2,0,0,0,0|2,0,0]=4 452 B8R1.1 CNC1CCN(C)C1 Z3266 [0,2,0,0,0,0|2,0,0]=4 453 B8R1.1 COC1=CC(=O)CC1 6398AB [0,2,0,0,0,0|0,0,2]=4 454 B8R1.1 NC[C@H]1CCC(=O)N1 X5489 [0,2,0,0,0,0|1,0,0]=3 455 B8R1.1 O=C1CC(CO)CN1 7314AE [0,2,0,0,0,0|1,0,0]=3 456 B8R1.1 O=C1CCC(CO)C1 W1896 [0,2,0,0,0,0|0,0,0]=2 457 B8R1.1 O=C1NCC(CO)O1 V7609 [0,2,0,0,0,0|2,0,0]=4 458 B8R1.1 OCC1CCC(O)C1 W1894 [0,2,0,0,0,0|0,0,2]=4 459 B8R1.7 CC(=O)C1CCNC1 Y4441 [0,2,0,0,0,0|1,0,1]=4 460 B8R1.7 CC(N)C1CCCC1 9818AH [0,2,0,0,0,0|1,0,1]=4 461 B8R1.7 N=C(N)N1CCCC1 6760AA [0,2,0,0,0,0|2,0,0]=4 462 B8R1.7 NC(=O)C1CCCN1 Y8548 [0,2,0,0,0,0|1,0,1]=4 463 B8R1.7 NC(=O)C1CCNC1 Z4774 [0,2,0,0,0,0|1,0,1]=4 464 B8R1.7 NC(=O)[C@@H]1CCNC1 Z9357 [0,2,0,0,0,0|1,0,1]=4 465 B8R1.7 NC(=O)[C@H]1CCNC1 4853AJ [0,2,0,0,0,0|1,0,1]=4 466 B8R1.7 NC(=S)C1CCCC1 Y9069 [0,2,0,0,0,0|0,1,1]=4 467 B8R1.7 NC(=S)N1CCCC1 V5782 [0,2,0,0,0,0|1,1,0]=4 468 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [0,2,0,0,0,0|1,0,1]=4 469 B8R1.7 O=C(O)[C@H]1CCOC1 Z1983 [0,2,0,0,0,0|1,0,1]=4 470 B8R1.8 BrCCN1CCCC1 1440AA [0,2,0,0,0,0|2,0,0]=4 471 B8R1.8 BrCCN1CCCC1 2569AC [0,2,0,0,0,0|2,0,0]=4 472 B8R1.8 BrCCN1CCCC1 7750AB [0,2,0,0,0,0|2,0,0]=4 473 B8R1.8 C=CCC1CCCC1 1184AQ [0,2,0,0,0,0|1,0,1]=4 474 B8R1.8 CCNC1CCCC1 0012AD [0,2,0,0,0,0|1,0,1]=4 475 B8R1.8 CNCC1CCCC1 7687AE [0,2,0,0,0,0|1,0,1]=4 476 B8R1.8 CNCC1CCCC1 8911AH [0,2,0,0,0,0|1,0,1]=4 477 B8R1.8 ClCCN1CCCC1 6952AB [0,2,0,0,0,0|2,0,0]=4 478 B8R1.8 N#CCC1=CCCC1 4828AL [0,2,0,0,0,0|1,0,1]=4 479 B8R1.8 O=CCC1CCCC1 8225AB [0,2,0,0,0,0|0,0,1]=3 480 B8R1.8 OCCN1CCCC1 3251AB [0,2,0,0,0,0|1,0,1]=4 481 B8R1.11 C#CC1CCCC1O 5544AJ [0,2,0,0,0,0|0,0,2]=4 482 B8R1.11 CN1CCCC1CCl 1254AJ [0,2,0,0,0,0|2,0,0]=4 483 B8R1.11 CN1CCCC1CN X2049 [0,2,0,0,0,0|2,0,0]=4 484 B8R1.11 CN1CCC[C@H]1CN 0204AC [0,2,0,0,0,0|2,0,0]=4 485 B8R1.11 N#CC1CSCC1=O 8402AA [0,2,0,0,0,0|1,0,0]=3 486 B8R1.11 NC1CCCC1CO 6199AB [0,2,0,0,0,0|0,0,2]=4 487 B8R1.11 N[C@H]1CCC[C@H]1CO 5457AB [0,2,0,0,0,0|0,0,2]=4 488 B8R1.11 O=C1CCCN1CO 7398AF [0,2,0,0,0,0|1,0,0]=3 489 B8R1.11 OCC1CCCC1O 0756AC [0,2,0,0,0,0|0,0,2]=4 490 B8R1.52 CC[N+]1(C)CCCC1 4840AL [0,2,0,0,0,0|2,0,0]=4 491 B8R1.52 N#CC1(N)CCCC1 V9545 [0,2,0,0,0,0|1,0,1]=4 492 B8R1.52 NC1(CO)CCCC1 0753AA [0,2,0,0,0,0|0,0,2]=4 493 B8R1.52 NCC1(N)CCCC1 6983AB [0,2,0,0,0,0|1,0,1]=4 494 B8R1.52 NCC1(O)CCCC1 W6368 [0,2,0,0,0,0|0,0,2]=4 495 B8R1.50 CC1=C(Br)C(=O)CC1 1360AQ [0,2,0,0,0,0|0,0,2]=4 496 B8R1.50 CC1CCN(C)C1=O Y8129 [0,2,0,0,0,0|1,0,0]=3 497 B8R1.50 CN1C(=O)CCC1O 5649AB [0,2,0,0,0,0|1,0,0]=3 498 B8R1.50 CN1CCC(Br)C1=O 0624AE [0,2,0,0,0,0|1,0,0]=3 499 B8R1.50 CN1CCC(N)C1=O 0714AD [0,2,0,0,0,0|1,0,0]=3 500 B8R1.50 CN1CCC(N)C1=O 2120AJ [0,2,0,0,0,0|1,0,0]=3 501 B8R1.50 O=C1CCC(=O)C1Br 4248AD [0,2,0,0,0,0|0,0,1]=3 502 B8R1.51 CC1(C)CC(=O)CS1 3715AB [0,2,0,0,0,0|1,0,0]=3 503 B8R1.51 CC1(C)CCC(=O)C1 V4062 [0,2,0,0,0,0|0,0,0]=2 504 B8R1.51 CC1(C)CCC(N)C1 2064AJ [0,2,0,0,0,0|1,0,1]=4 505 B8R1.51 CC1(C)CNC(=O)O1 2855AL [0,2,0,0,0,0|2,0,0]=4 506 B8R1.51 CC1(C)COC(=O)C1 2579AL [0,2,0,0,0,0|1,0,0]=3 507 B8R1.51 CC1(C)OCC(=O)O1 5725AB [0,2,0,0,0,0|2,0,0]=4 508 B8R1.51 NC1CCC(F)(F)C1 6015AC [0,2,0,0,0,0|1,0,1]=4 509 B8R1.51 NC1CCS(=O)(=O)C1 9651AB [0,2,0,0,0,0|1,0,0]=3 510 B8R1.51 O=S1(=O)CC(Br)CO1 9883AA [0,2,0,0,0,0|2,0,0]=4 511 B8R1.51 [O]C1CCS(=O)(=O)C1 V3757 [0,2,0,0,0,0|1,0,0]=3 512 B8R1.19 CC1(C)CCCC1N 1318AJ [0,2,0,0,0,0|1,0,1]=4 513 B8R1.19 CC1(C)CCNC1=O 4182AE [0,2,0,0,0,0|1,0,0]=3 514 B6R1.3 CCCC1CO1 4468AL [0,0,1,1,0,0|0,0,2]=4 515 B6R1.11 CC(=O)C1CO1 3696AE [0,0,1,1,0,0|1,0,0]=3 516 B6R1.11 C[C@@H](N)C1CC1 1191AL [0,0,1,1,0,0|1,0,1]=4 517 B6R1.11 O=C(O)C1CN1 7766AB [0,0,1,1,0,0|2,0,0]=4 518 B6R1.11 [C@H]1(C(=O)[O-])CO1 0144AF [0,0,1,1,0,0|2,0,0]=4 519 B6R1.1 C1CCNNC1 6958AB [0,0,1,1,0,0|2,0,0]=4 520 B6R1.1 C1CCONC1 1721AE [0,0,1,1,0,0|1,0,1]=4 521 B8R2.18 OC1CC2CC2C1 4817AC [0,0,0,1,0,1|0,0,2]=4 522 B8R2.23 C1NCC2CC1O2 3619AJ [0,0,0,1,0,1|0,0,2]=4 523 B8R2.34 C12CCC(CC1)C2 8648AL [0,0,0,1,0,1|1,0,1]=4 524 B8R2.34 C12CCC(CC1)O2 6894AL [0,0,0,1,0,1|0,0,2]=4 525 B8R2.34 C1CC2CC1CN2 Z4541 [0,0,0,1,0,1|1,0,1]=4 526 B4R1.1 C1CNC1 F654 [1,0,0,0,1,0|1,0,0]=3 527 B4R1.1 C1CSC1 7055AF [1,0,0,0,1,0|1,0,0]=3 528 B8R1.22 CC1CCNCCN1 W4646 [0,0,0,0,0,2|1,0,1]=4 529 B8R1.22 CC1CNCCCN1 0125AC [0,0,0,0,0,2|1,0,1]=4 530 B8R1.22 ClC1CCCCCC1 1856AB [0,0,0,0,0,2|1,0,1]=4 531 B8R1.22 NC1CCCCNC1 3820AJ [0,0,0,0,0,2|1,0,1]=4 532 B8R1.22 NN1CCCCCC1 4752AL [0,0,0,0,0,2|2,0,0]=4 533 B8R1.22 N[C@H]1CCCCNC1 1604AA [0,0,0,0,0,2|1,0,1]=4 534 B8R1.22 O=C1CCCCNC1 0003AC [0,0,0,0,0,2|0,0,0]=2 535 B8R1.22 O=C1CCCNCC1 X2001 [0,0,0,0,0,2|0,0,0]=2 536 B8R1.22 O=C1CCNCCN1 W5590 [0,0,0,0,0,2|0,0,0]=2 537 B8R1.22 O=C1CCOCCO1 4654AL [0,0,0,0,0,2|0,0,0]=2 538 B8R1.22 O=C1CCSCCN1 9235AD [0,0,0,0,0,2|0,0,0]=2 539 B8R1.22 O=C1CNCCCN1 5019AJ [0,0,0,0,0,2|0,0,0]=2 540 B8R1.22 OC1CNCCOC1 9639AH [0,0,0,0,0,2|0,0,2]=4 541 B8R1.22 O[C@@H]1CNCCOC1 8939AH [0,0,0,0,0,2|0,0,2]=4