0 B5R0.3 C#CC(O)CC 26391 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 C=C[C@H](O)CO 19971 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 CCC(N)CO 14779 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 CCP(Cl)CC 6480 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 CC[C@@H](O)CO 14093 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 CC[C@H](C)C#N 32183 [0,0,0,0,0,0|0,0,2]=2 6 B5R0.3 CC[C@H](C)CN 16256 [0,0,0,0,0,0|0,0,0]=0 7 B5R0.3 CC[C@H](O)CO 14096 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.3 CNC(=S)NN 10768 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 COC(=O)CN 10899 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.3 COC(=O)CS 10788 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.3 COC(=O)NN 17404 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.3 CO[C@@H](C)CN 17733 [0,0,0,0,0,0|1,0,0]=1 13 B5R0.3 CO[C@@H](C)CN 17747 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.3 CO[C@@H](C)CO 26646 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.3 CO[C@H](C)CN 17734 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.3 CO[C@H](C)CN 17748 [0,0,0,0,0,0|1,0,0]=1 17 B5R0.3 CSC(=S)NN 35538 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.3 NC(CO)CO 11931 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.3 NC[C@@H](O)CO 5711 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.3 NC[C@H](O)CCl 34211 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.3 NC[C@H](O)CO 5712 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.3 O=C(CO)CO 4053 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.3 O=CC(O)CO 13962 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.3 O=C[C@@H](O)CO 6339 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.3 O=C[C@@H](O)CO 6340 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.3 O=C[C@H](O)CO 6338 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.3 OC(CCl)CCl 5871 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.3 OCC(O)CCl 21311 [0,0,0,0,0,0|3,0,0]=3 29 B5R0.3 OCC(O)CO 16092 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.3 OC[C@@H](O)CCl 5741 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.3 OC[C@H](O)CCl 5740 [0,0,0,0,0,0|3,0,0]=3 32 B4R0.1 C#C[C@@H](C)O 20211 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 C=C(C)CCl 20429 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 CC(=O)CBr 24199 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 CC(C)=CBr 29713 [1,0,0,0,0,0|1,0,2]=4 36 B4R0.1 CC(C)CI 3951 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.1 CC(C)NN 26972 [1,0,0,0,0,0|1,0,0]=2 38 B4R0.1 CC(O)CBr 12555 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 CC=C(C)C 2026 [1,0,0,0,0,0|0,0,2]=3 40 B4R0.1 CCB(O)O 7960 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 CCC(C)Br 3753 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.1 CCC(C)I 3940 [1,0,0,0,0,0|1,0,0]=2 43 B4R0.1 CCC(C)O 6718 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 CCC([NH-])=O 10938 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.1 CCN(C)C 10322 [1,0,0,0,0,0|1,0,0]=2 46 B4R0.1 CCS(=O)[O-] 24643 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.1 CC[C@@H](C)N 6741 [1,0,0,0,0,0|0,0,0]=1 48 B4R0.1 CC[C@@H](C)O 6717 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.1 CC[C@H](C)N 6743 [1,0,0,0,0,0|0,0,0]=1 50 B4R0.1 CN(C)C=O 23341 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 CNC(C)C 10279 [1,0,0,0,0,0|1,0,0]=2 52 B4R0.1 CNC(N)=S 35584 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 COC(C)=N 2122 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.1 COC(Cl)Cl 2376 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.1 CSC(=N)N 20041 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 C[C@@H](Cl)CO 8287 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.1 C[C@@H](N)CN 29215 [1,0,0,0,0,0|1,0,0]=2 58 B4R0.1 C[C@@H](N)CO 9884 [1,0,0,0,0,0|1,0,0]=2 59 B4R0.1 C[C@@H](O)CBr 23955 [1,0,0,0,0,0|2,0,0]=3 60 B4R0.1 C[C@@H](O)CCl 14071 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.1 C[C@@H](O)CI 23956 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.1 C[C@@H](O)CN 5721 [1,0,0,0,0,0|1,0,0]=2 63 B4R0.1 C[C@@H](O)CO 5857 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 C[C@H](Cl)CO 8285 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 C[C@H](N)CN 15232 [1,0,0,0,0,0|1,0,0]=2 66 B4R0.1 C[C@H](N)CO 5710 [1,0,0,0,0,0|1,0,0]=2 67 B4R0.1 C[C@H](O)CBr 20478 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.1 C[C@H](O)CCl 14072 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.1 C[C@H](O)CN 5720 [1,0,0,0,0,0|1,0,0]=2 70 B4R0.1 C[C@H](O)CO 5853 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.1 C\C(N)=N\O 31948 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.1 C\C=C(/C)Br 29073 [1,0,0,0,0,0|1,0,2]=4 73 B4R0.1 N=C(N)CCl 20222 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.1 NC(=O)CBr 31995 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.1 NC(=O)CI 12542 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.1 NCC(=O)O 18924 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.1 NCC(=O)[O-] 26210 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.1 NCC(=O)[O-] 9921 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.1 NCC(N)=O 13019 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 OCC(F)F 26977 [1,0,0,0,0,0|3,0,0]=4 81 B4R0.1 PCC(Cl)Cl 6479 [1,0,0,0,0,0|2,1,0]=4 82 B4R0.1 [C-]#[N+]C(C)C 29396 [1,0,0,0,0,0|1,0,1]=3 83 B4R0.2 C#CCCO 13071 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.2 C#CCOC 35042 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.2 C#COCC 12592 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.2 C=CCCN 10268 [1,0,0,0,0,0|0,0,2]=3 87 B4R0.2 C=CCCN 36002 [1,0,0,0,0,0|0,0,2]=3 88 B4R0.2 C=CCCO 18909 [1,0,0,0,0,0|1,0,2]=4 89 B4R0.2 C=COCC 18645 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.2 CC#CCO 13061 [1,0,0,0,0,0|1,0,2]=4 91 B4R0.2 CCCCBr 3752 [1,0,0,0,0,0|1,0,0]=2 92 B4R0.2 CCCCI 3939 [1,0,0,0,0,0|1,0,0]=2 93 B4R0.2 CCN=C=O 18636 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.2 CCNCC 14036 [1,0,0,0,0,0|2,0,0]=3 95 B4R0.2 CCNCC 17237 [1,0,0,0,0,0|2,0,0]=3 96 B4R0.2 CCOCCl 18683 [1,0,0,0,0,0|2,0,0]=3 97 B4R0.2 CC[B+]CC 26091 [1,0,0,0,0,0|2,0,0]=3 98 B4R0.2 CNCC#N 35842 [1,0,0,0,0,0|1,0,2]=4 99 B4R0.2 CNCCCl 35179 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.2 CNCCN 4020 [1,0,0,0,0,0|1,0,0]=2 101 B4R0.2 COCC#N 28756 [1,0,0,0,0,0|1,0,2]=4 102 B4R0.2 COCCBr 2138 [1,0,0,0,0,0|2,0,0]=3 103 B4R0.2 COCCCl 1911 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.2 COCCO 35138 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.2 CSCCCl 35891 [1,0,0,0,0,0|2,0,0]=3 106 B4R0.2 CSCCN 19131 [1,0,0,0,0,0|1,0,0]=2 107 B4R0.2 CSCCO 10846 [1,0,0,0,0,0|2,0,0]=3 108 B4R0.2 C\C=C\CC 19602 [1,0,0,0,0,0|1,0,2]=4 109 B4R0.2 C\C=C\CO 21075 [1,0,0,0,0,0|1,0,2]=4 110 B4R0.2 ICCCI 3858 [1,0,0,0,0,0|2,0,0]=3 111 B4R0.2 N#CCCBr 25994 [1,0,0,0,0,0|1,0,2]=4 112 B4R0.2 N#CCCN 19134 [1,0,0,0,0,0|1,0,1]=3 113 B4R0.2 N#CCCO 22156 [1,0,0,0,0,0|1,0,2]=4 114 B4R0.2 NCCCBr 18801 [1,0,0,0,0,0|1,0,0]=2 115 B4R0.2 NCCCN 10839 [1,0,0,0,0,0|1,0,0]=2 116 B4R0.2 NNCCO 45109 [1,0,0,0,0,0|2,0,0]=3 117 B6R0.1 CCC(C)CCO 35939 [0,1,0,0,0,0|1,0,0]=2 118 B6R0.1 CCOC(=N)CCl 44863 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.1 CCOC(=O)CF 23757 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.1 CCOC(=O)CN 10926 [0,1,0,0,0,0|1,0,1]=3 121 B6R0.1 CC\C=C(/C)C=O 36081 [0,1,0,0,0,0|1,0,2]=4 122 B6R0.1 CNCC(=O)OC 10901 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.1 COC(=O)CCN 10900 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.1 COC(C)CCO 35942 [0,1,0,0,0,0|2,0,0]=3 125 B6R0.1 C[C@H](CO)CCO 30370 [0,1,0,0,0,0|1,0,0]=2 126 B6R0.1 N#CC[C@@H](O)CCl 6274 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.1 N#CC[C@H](O)CCl 5929 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.1 O=C(CBr)CCBr 35308 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.1 OCC[C@@H](O)CO 29018 [0,1,0,0,0,0|2,0,0]=3 130 B6R0.3 CC(C)C(=O)CBr 35792 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.3 CC(C)[C@@H](N)CO 5789 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.3 CC(C)[C@H](N)CO 5790 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.3 CC(CN)C(=O)O 21922 [0,1,0,0,0,0|1,0,1]=3 134 B6R0.3 CC(CN)C(=O)O 30383 [0,1,0,0,0,0|1,0,1]=3 135 B6R0.3 CCC(Br)C(=O)O 14564 [0,1,0,0,0,0|2,0,1]=4 136 B6R0.3 CCC(C)B(O)O 29484 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.3 CCC(N)C(=O)O 27168 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.3 CCN(C)C(=O)Cl 16066 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.3 CC[C@@H](Br)C(=O)O 36160 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.3 CC[C@@H](C)C(=O)O 32186 [0,1,0,0,0,0|1,0,1]=3 141 B6R0.3 CC[C@@H](N)C(=O)O 13431 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.3 CC[C@@H](N)C(=O)O 15607 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.3 CC[C@H](Br)C(=O)O 8279 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.3 CC[C@H](C)C(=O)O 36048 [0,1,0,0,0,0|1,0,1]=3 145 B6R0.3 CC[C@H](C)C(=O)O 36048 [0,1,0,0,0,0|1,0,1]=3 146 B6R0.3 CC[C@H](N)B(O)O 33648 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.3 CC[C@H](N)B(O)O 33649 [0,1,0,0,0,0|3,0,0]=4 148 B6R0.3 CC[C@H](N)C(=O)O 16473 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.3 CC[C@H](N)C(=O)O 16477 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.3 CC[C@H](N)C(N)=O 28166 [0,1,0,0,0,0|1,0,1]=3 151 B6R0.3 CC[C@H](N)C(N)=O 5725 [0,1,0,0,0,0|1,0,1]=3 152 B6R0.3 CC[C@H](O)C(=O)O 8265 [0,1,0,0,0,0|2,0,1]=4 153 B6R0.3 CN(C)C(=O)CN 22320 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.3 CN[C@@H](C)C(=O)O 24906 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.3 COC(=O)C(C)N 10905 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.3 COC(=O)[C@@H](C)N 10885 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.3 COC(=O)[C@H](C)N 10884 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.3 C[C@H](CO)C(=O)O 14230 [0,1,0,0,0,0|2,0,1]=4 159 B6R0.3 NC(=O)[C@@H](N)CO 26034 [0,1,0,0,0,0|2,0,1]=4 160 B6R0.3 NCC(N)C(=O)O 13822 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.3 NCC(O)C(=O)O 23947 [0,1,0,0,0,0|2,0,1]=4 162 B6R0.3 NC[C@@H](N)C(=O)O 13823 [0,1,0,0,0,0|2,0,1]=4 163 B6R0.3 NC[C@H](N)C(=O)O 13356 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.3 NC[C@H](N)C(=O)O 13818 [0,1,0,0,0,0|2,0,1]=4 165 B6R0.3 NC[C@H](O)C(=O)O 26012 [0,1,0,0,0,0|2,0,1]=4 166 B6R0.8 CC(C)(CO)CO 22258 [0,1,0,0,0,0|2,0,0]=3 167 B6R0.8 CNC(C)(C)CO 35872 [0,1,0,0,0,0|2,0,0]=3 168 B6R0.8 COC(C)(C)OC 9768 [0,1,0,0,0,0|3,0,0]=4 169 B6R0.9 C=CC(OC)OC 23316 [0,1,0,0,0,0|2,0,1]=4 170 B6R0.9 CCN(CC)CC 18205 [0,1,0,0,0,0|2,0,0]=3 171 B6R0.9 CC[O+](CC)CC 36159 [0,1,0,0,0,0|2,0,0]=3 172 B6R0.9 CC[O+](CC)CC 8099 [0,1,0,0,0,0|2,0,0]=3 173 B6R0.9 CC[SiH](CC)CC 12847 [0,1,0,0,0,0|1,1,0]=3 174 B6R0.9 COC(CBr)OC 31980 [0,1,0,0,0,0|2,0,0]=3 175 B6R0.9 COC(CCl)OC 31982 [0,1,0,0,0,0|2,0,0]=3 176 B6R0.9 COC(CN)OC 31983 [0,1,0,0,0,0|1,0,0]=2 177 B6R0.9 COC(CO)OC 35929 [0,1,0,0,0,0|2,0,0]=3 178 B6R1.2 BrC1CCOC1 26260 [0,0,0,1,0,0|2,0,0]=3 179 B6R1.2 CC1=NCCC1 9412 [0,0,0,1,0,0|2,0,1]=4 180 B6R1.2 CC1CCCN1 11112 [0,0,0,1,0,0|2,0,0]=3 181 B6R1.2 CC1CCCN1 9410 [0,0,0,1,0,0|2,0,0]=3 182 B6R1.2 CC1CCCO1 10841 [0,0,0,1,0,0|2,0,0]=3 183 B6R1.2 CC1CCCS1 12832 [0,0,0,1,0,0|2,0,0]=3 184 B6R1.2 CC1CCNC1 19859 [0,0,0,1,0,0|0,0,0]=1 185 B6R1.2 CN1CCCC1 11143 [0,0,0,1,0,0|2,0,0]=3 186 B6R1.2 C[C@@H]1CCCN1 11117 [0,0,0,1,0,0|2,0,0]=3 187 B6R1.2 C[C@@H]1CCCN1 15593 [0,0,0,1,0,0|2,0,0]=3 188 B6R1.2 C[C@H]1CCCN1 11115 [0,0,0,1,0,0|2,0,0]=3 189 B6R1.2 C[C@H]1CCCN1 15594 [0,0,0,1,0,0|2,0,0]=3 190 B6R1.2 F[C@H]1CCNC1 35776 [0,0,0,1,0,0|1,0,0]=2 191 B6R1.2 NC1CCNC1 20096 [0,0,0,1,0,0|1,0,0]=2 192 B6R1.2 NC1CCNC1 30371 [0,0,0,1,0,0|1,0,0]=2 193 B6R1.2 NC1CCNC1 9196 [0,0,0,1,0,0|1,0,0]=2 194 B6R1.2 NC1CCOC1 20203 [0,0,0,1,0,0|2,0,0]=3 195 B6R1.2 NC1CCOC1 24733 [0,0,0,1,0,0|2,0,0]=3 196 B6R1.2 NN1CCCC1 4032 [0,0,0,1,0,0|3,0,0]=4 197 B6R1.2 NN1CCCC1 9801 [0,0,0,1,0,0|3,0,0]=4 198 B6R1.2 N[C@@H]1CCNC1 5728 [0,0,0,1,0,0|1,0,0]=2 199 B6R1.2 N[C@@H]1CCNC1 5730 [0,0,0,1,0,0|1,0,0]=2 200 B6R1.2 N[C@@H]1CCOC1 12612 [0,0,0,1,0,0|2,0,0]=3 201 B6R1.2 N[C@@H]1CCOC1 15496 [0,0,0,1,0,0|2,0,0]=3 202 B6R1.2 N[C@H]1CCNC1 11156 [0,0,0,1,0,0|1,0,0]=2 203 B6R1.2 N[C@H]1CCNC1 5729 [0,0,0,1,0,0|1,0,0]=2 204 B6R1.2 N[C@H]1CCOC1 15126 [0,0,0,1,0,0|2,0,0]=3 205 B6R1.2 O=C1CCCC1 30304 [0,0,0,1,0,0|2,0,1]=4 206 B6R1.2 O=C1CCNC1 21931 [0,0,0,1,0,0|1,0,1]=3 207 B6R1.2 O=C1CCOC1 15127 [0,0,0,1,0,0|2,0,1]=4 208 B6R1.2 O=C1CCSC1 5575 [0,0,0,1,0,0|2,0,1]=4 209 B6R1.2 O=C1CNCN1 23395 [0,0,0,1,0,0|2,0,1]=4 210 B6R1.2 O=S1CCCC1 12544 [0,0,0,1,0,0|3,0,0]=4 211 B6R1.2 OC1=NNCC1 44776 [0,0,0,1,0,0|2,0,1]=4 212 B6R1.2 OC1CC=CC1 29044 [0,0,0,1,0,0|2,0,1]=4 213 B6R1.2 OC1CCCC1 20387 [0,0,0,1,0,0|2,0,0]=3 214 B6R1.2 OC1CCNC1 11118 [0,0,0,1,0,0|1,0,0]=2 215 B6R1.2 OC1CCNC1 17435 [0,0,0,1,0,0|1,0,0]=2 216 B6R1.2 O[C@@H]1CCNC1 7469 [0,0,0,1,0,0|1,0,0]=2 217 B6R1.2 O[C@@H]1CCOC1 11341 [0,0,0,1,0,0|2,0,0]=3 218 B6R1.2 O[C@@H]1CCOC1 7071 [0,0,0,1,0,0|2,0,0]=3 219 B6R1.2 O[C@H]1CCNC1 14064 [0,0,0,1,0,0|1,0,0]=2 220 B6R1.2 O[C@H]1CCNC1 15695 [0,0,0,1,0,0|1,0,0]=2 221 B6R1.2 O[C@H]1CCNC1 8981 [0,0,0,1,0,0|1,0,0]=2 222 B6R1.2 O[C@H]1CCOC1 16209 [0,0,0,1,0,0|2,0,0]=3 223 B6R1.6 BrCC1CCC1 23272 [0,0,0,1,0,0|1,0,0]=2 224 B6R1.6 N#CC1CCC1 25445 [0,0,0,1,0,0|0,0,2]=3 225 B6R1.6 N#CC1CNC1 20560 [0,0,0,1,0,0|1,0,1]=3 226 B6R1.6 NCC1CCC1 21304 [0,0,0,1,0,0|0,0,0]=1 227 B6R1.6 NCC1COC1 23208 [0,0,0,1,0,0|1,0,0]=2 228 B6R1.6 O=CC1CCC1 23840 [0,0,0,1,0,0|1,0,1]=3 229 B6R1.6 OCC1CCC1 23465 [0,0,0,1,0,0|1,0,0]=2 230 B6R1.6 OCC1CNC1 19094 [0,0,0,1,0,0|1,0,0]=2 231 B6R1.6 OCC1COC1 29376 [0,0,0,1,0,0|2,0,0]=3 232 B6R1.7 C#CC1(N)CC1 29020 [0,0,0,1,0,0|2,0,1]=4 233 B6R1.7 N#CC1(N)CC1 16832 [0,0,0,1,0,0|1,0,2]=4 234 B6R1.7 NC1(CO)CC1 24736 [0,0,0,1,0,0|2,0,0]=3 235 B6R1.7 NC1(CO)CC1 25828 [0,0,0,1,0,0|2,0,0]=3 236 B6R1.7 NCC1(O)CC1 23773 [0,0,0,1,0,0|1,0,0]=2 237 B3R0.1 C#CCN 18842 [2,0,0,0,0,0|0,0,2]=4 238 B3R0.1 C#CCN 18845 [2,0,0,0,0,0|0,0,2]=4 239 B3R0.1 C=CCN 19133 [2,0,0,0,0,0|0,0,2]=4 240 B3R0.1 CCCI 3977 [2,0,0,0,0,0|1,0,0]=3 241 B3R0.1 CCC[S-] 35319 [2,0,0,0,0,0|1,0,0]=3 242 B3R0.1 CCNC 10275 [2,0,0,0,0,0|1,0,0]=3 243 B3R0.1 CCNN 16833 [2,0,0,0,0,0|1,0,0]=3 244 B3R0.1 CCON 35706 [2,0,0,0,0,0|1,0,0]=3 245 B3R0.1 CC[Mg]Br 23799 [2,0,0,0,0,0|2,0,0]=4 246 B3R0.1 CNOC 25934 [2,0,0,0,0,0|2,0,0]=4 247 B3R0.1 COCBr 23167 [2,0,0,0,0,0|2,0,0]=4 248 B3R0.1 CSSC 9665 [2,0,0,0,0,0|2,0,0]=4 249 B3R0.1 NCCBr 32344 [2,0,0,0,0,0|1,0,0]=3 250 B3R0.1 NCCF 19132 [2,0,0,0,0,0|1,0,0]=3 251 B3R0.1 NCCO 24767 [2,0,0,0,0,0|1,0,0]=3 252 B3R0.1 SCCS 12844 [2,0,0,0,0,0|2,0,0]=4 253 B3R0.2 CC(C)Br 18655 [2,0,0,0,0,0|1,0,0]=3 254 B3R0.2 CC(C)I 21400 [2,0,0,0,0,0|1,0,0]=3 255 B3R0.2 CC(F)F 21302 [2,0,0,0,0,0|2,0,0]=4 256 B3R0.2 CN(C)C 18299 [2,0,0,0,0,0|1,0,0]=3 257 B3R0.2 CP(C)C 20413 [2,0,0,0,0,0|1,0,0]=3 258 B3R0.2 CS(C)=O 44865 [2,0,0,0,0,0|2,0,0]=4 259 B3R0.2 C[PH](C)=O 29395 [2,0,0,0,0,0|2,0,0]=4 260 B3R0.2 C[S+](C)C 44700 [2,0,0,0,0,0|1,0,0]=3 261 B5R0.1 C#CCC(C)O 26123 [1,1,0,0,0,0|1,0,1]=4 262 B5R0.1 CC(Br)CCBr 3866 [1,1,0,0,0,0|1,0,0]=3 263 B5R0.1 CC(C)=CCBr 35170 [1,1,0,0,0,0|0,0,2]=4 264 B5R0.1 CC(C)CCI 3950 [1,1,0,0,0,0|0,0,0]=2 265 B5R0.1 CC(C)CNN 18739 [1,1,0,0,0,0|0,0,0]=2 266 B5R0.1 CC(C)N=C=S 16501 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.1 CC(N)CCO 29198 [1,1,0,0,0,0|0,0,0]=2 268 B5R0.1 CCCC(=N)N 16315 [1,1,0,0,0,0|1,0,1]=4 269 B5R0.1 CCCC(C)N 26317 [1,1,0,0,0,0|0,0,0]=2 270 B5R0.1 CCC[C@@H](C)O 6721 [1,1,0,0,0,0|1,0,0]=3 271 B5R0.1 CCC[C@H](C)O 6719 [1,1,0,0,0,0|1,0,0]=3 272 B5R0.1 CCNC(C)C 10283 [1,1,0,0,0,0|0,0,0]=2 273 B5R0.1 CCOC(C)=N 2020 [1,1,0,0,0,0|0,0,2]=4 274 B5R0.1 CCSC(C)=S 12459 [1,1,0,0,0,0|1,0,1]=4 275 B5R0.1 CN(C)CC=O 26115 [1,1,0,0,0,0|1,0,1]=4 276 B5R0.1 CN(C)CCS 35662 [1,1,0,0,0,0|1,0,0]=3 277 B5R0.1 COCC(C)O 1904 [1,1,0,0,0,0|1,0,0]=3 278 B5R0.1 COC[C@@H](C)O 6714 [1,1,0,0,0,0|1,0,0]=3 279 B5R0.1 COC[C@H](C)O 6715 [1,1,0,0,0,0|1,0,0]=3 280 B5R0.1 C[C@@H](O)CCO 6724 [1,1,0,0,0,0|1,0,0]=3 281 B5R0.1 C[C@H](O)CCO 6722 [1,1,0,0,0,0|1,0,0]=3 282 B5R0.1 NCCC(N)=O 18936 [1,1,0,0,0,0|1,0,1]=4 283 B5R0.4 C#CC(C)(C)C 12530 [1,1,0,0,0,0|0,0,2]=4 284 B5R0.4 C=CC(C)(C)O 36012 [1,1,0,0,0,0|0,0,2]=4 285 B5R0.4 CC(C)(C)C#N 29032 [1,1,0,0,0,0|0,0,2]=4 286 B5R0.4 CC(C)(C)C=O 1910 [1,1,0,0,0,0|1,0,1]=4 287 B5R0.4 CC(C)(C)CN 28998 [1,1,0,0,0,0|0,0,0]=2 288 B5R0.4 CC(C)(C)N=O 45117 [1,1,0,0,0,0|2,0,0]=4 289 B5R0.4 CC(C)(C)NN 35993 [1,1,0,0,0,0|1,0,0]=3 290 B5R0.4 CC(C)(C)ON 19621 [1,1,0,0,0,0|1,0,0]=3 291 B5R0.4 CC(C)(F)C#N 22301 [1,1,0,0,0,0|0,0,2]=4 292 B5R0.4 CC(C)(N)C#N 25459 [1,1,0,0,0,0|0,0,2]=4 293 B5R0.4 CC(C)(N)CN 28209 [1,1,0,0,0,0|0,0,0]=2 294 B5R0.4 CC(C)(N)CO 2208 [1,1,0,0,0,0|1,0,0]=3 295 B5R0.4 CC(C)(O)CCl 3675 [1,1,0,0,0,0|1,0,0]=3 296 B5R0.4 CC(C)(O)CN 32121 [1,1,0,0,0,0|0,0,0]=2 297 B5R0.4 CC(C)(S)CN 28945 [1,1,0,0,0,0|0,0,0]=2 298 B5R0.4 CC(F)(F)CN 35941 [1,1,0,0,0,0|1,0,0]=3 299 B5R0.4 CC(F)(F)CO 35038 [1,1,0,0,0,0|2,0,0]=4 300 B5R0.4 CCC(C)(C)O 21405 [1,1,0,0,0,0|0,0,0]=2 301 B5R0.4 C[Si](C)(C)CBr 13669 [1,1,0,0,0,0|1,1,0]=4 302 B5R0.4 C[Si](C)(C)CCl 13668 [1,1,0,0,0,0|1,1,0]=4 303 B5R0.4 C[Si](C)(Cl)CCl 13667 [1,1,0,0,0,0|1,1,0]=4 304 B5R0.4 NCC(F)(F)F 29092 [1,1,0,0,0,0|2,0,0]=4 305 B5R0.4 [Li]C[Si](C)(C)C 18144 [1,1,0,0,0,0|1,1,0]=4 306 B5R0.5 CC(=O)C(C)Br 12679 [1,1,0,0,0,0|1,0,1]=4 307 B5R0.5 CC(Br)C(C)Br 12534 [1,1,0,0,0,0|1,0,0]=3 308 B5R0.5 CC(C)B(O)O 7987 [1,1,0,0,0,0|2,0,0]=4 309 B5R0.5 CC(C)C(=O)Cl 18648 [1,1,0,0,0,0|1,0,1]=4 310 B5R0.5 CC(C)C(C)O 32297 [1,1,0,0,0,0|0,0,0]=2 311 B5R0.5 CC(C)C(N)=O 21345 [1,1,0,0,0,0|0,0,1]=3 312 B5R0.5 CC(N)B(O)O 33616 [1,1,0,0,0,0|2,0,0]=4 313 B5R0.5 CC(N)C(=O)O 11009 [1,1,0,0,0,0|1,0,1]=4 314 B5R0.5 CN(C)C(=N)N 19198 [1,1,0,0,0,0|1,0,1]=4 315 B5R0.5 C[C@@H](N)B(O)O 33655 [1,1,0,0,0,0|2,0,0]=4 316 B5R0.5 C[C@@H](N)C(=O)O 11002 [1,1,0,0,0,0|1,0,1]=4 317 B5R0.5 C[C@@H](N)C(N)=O 12667 [1,1,0,0,0,0|1,0,1]=4 318 B5R0.5 C[C@H](N)B(O)O 33647 [1,1,0,0,0,0|2,0,0]=4 319 B5R0.5 C[C@H](N)C(=O)O 12862 [1,1,0,0,0,0|1,0,1]=4 320 B5R0.5 C[C@H](N)C(N)=O 5715 [1,1,0,0,0,0|1,0,1]=4 321 B5R0.5 [*]C(=O)[C@H](C)N 24898 [1,1,0,0,0,0|1,0,1]=4 322 B5R0.2 BrCCCCBr 3870 [1,1,0,0,0,0|1,0,0]=3 323 B5R0.2 C#CCCCC 13057 [1,1,0,0,0,0|1,0,0]=3 324 B5R0.2 C#CCCCCl 34956 [1,1,0,0,0,0|1,0,1]=4 325 B5R0.2 C#CCCCO 2025 [1,1,0,0,0,0|1,0,1]=4 326 B5R0.2 CCC#CCBr 35958 [1,1,0,0,0,0|1,0,1]=4 327 B5R0.2 CCCC#CO 13063 [1,1,0,0,0,0|1,0,1]=4 328 B5R0.2 CCCCCI 3960 [1,1,0,0,0,0|1,0,0]=3 329 B5R0.2 CCCNCC 10270 [1,1,0,0,0,0|1,0,0]=3 330 B5R0.2 CCOCCBr 12476 [1,1,0,0,0,0|1,0,0]=3 331 B5R0.2 CCOCCCl 1932 [1,1,0,0,0,0|1,0,0]=3 332 B5R0.2 CNCCCN 26279 [1,1,0,0,0,0|0,0,0]=2 333 B5R0.2 CNCCCO 30456 [1,1,0,0,0,0|1,0,0]=3 334 B5R0.2 CNCCNC 31976 [1,1,0,0,0,0|1,0,0]=3 335 B5R0.2 COCCC#N 24839 [1,1,0,0,0,0|0,0,2]=4 336 B5R0.2 COCCC=O 24309 [1,1,0,0,0,0|1,0,1]=4 337 B5R0.2 COCCCBr 11240 [1,1,0,0,0,0|1,0,0]=3 338 B5R0.2 COCCCCl 18632 [1,1,0,0,0,0|1,0,0]=3 339 B5R0.2 COCCCN 16804 [1,1,0,0,0,0|0,0,0]=2 340 B5R0.2 COCCCO 1936 [1,1,0,0,0,0|1,0,0]=3 341 B5R0.2 COCCOC 18652 [1,1,0,0,0,0|2,0,0]=4 342 B5R0.2 ClCCCCBr 36136 [1,1,0,0,0,0|1,0,0]=3 343 B5R0.2 ICCCCI 3842 [1,1,0,0,0,0|1,0,0]=3 344 B5R0.2 N#CCCCBr 28726 [1,1,0,0,0,0|0,0,2]=4 345 B5R0.2 N#CCCCCl 26537 [1,1,0,0,0,0|0,0,2]=4 346 B5R0.2 NCCCCN 25424 [1,1,0,0,0,0|0,0,0]=2 347 B5R0.2 NC\C=C\CCl 25442 [1,1,0,0,0,0|0,0,2]=4 348 B5R0.2 OCCCCCl 17292 [1,1,0,0,0,0|1,0,0]=3 349 B5R0.2 OCCCCCl 23235 [1,1,0,0,0,0|1,0,0]=3 350 B7R0.2 CC(C)C[C@@H](N)CO 12435 [0,2,0,0,0,0|2,0,0]=4 351 B7R0.2 CC(C)C[C@H](N)CO 25957 [0,2,0,0,0,0|2,0,0]=4 352 B7R0.2 CCC(C)CC(=O)O 11272 [0,2,0,0,0,0|1,0,0]=3 353 B7R0.2 CCC(N)CC(=O)O 13448 [0,2,0,0,0,0|2,0,0]=4 354 B7R0.2 CC[C@@H](C)CC(=O)O 11275 [0,2,0,0,0,0|1,0,0]=3 355 B7R0.2 CC[C@H](C)CC(=O)O 11273 [0,2,0,0,0,0|1,0,0]=3 356 B7R0.2 CN(C)CC(O)CO 32210 [0,2,0,0,0,0|2,0,0]=4 357 B7R0.2 CN(C)C[C@@H](O)CO 25206 [0,2,0,0,0,0|2,0,0]=4 358 B7R0.2 CN(C)C[C@H](O)CO 25208 [0,2,0,0,0,0|2,0,0]=4 359 B7R0.2 NC[C@@H](O)CC(=O)O 5723 [0,2,0,0,0,0|1,0,1]=4 360 B7R0.2 NC[C@H](O)CC(=O)O 5722 [0,2,0,0,0,0|1,0,1]=4 361 B7R0.3 CC(CO)CCCO 25460 [0,2,0,0,0,0|1,0,0]=3 362 B7R0.3 CCCCC(Br)CBr 3891 [0,2,0,0,0,0|2,0,0]=4 363 B7R0.3 CSCC[C@@H](N)CO 12299 [0,2,0,0,0,0|2,0,0]=4 364 B7R0.3 CSCC[C@H](N)CO 25150 [0,2,0,0,0,0|2,0,0]=4 365 B7R0.5 CCCC(C)C(=O)Cl 21794 [0,2,0,0,0,0|1,0,1]=4 366 B7R0.5 CCCC(C)C(=O)O 2465 [0,2,0,0,0,0|1,0,1]=4 367 B7R0.5 CCC[C@H](C)C(=O)O 5642 [0,2,0,0,0,0|1,0,1]=4 368 B7R0.5 CCOC(=O)C(C)N 10928 [0,2,0,0,0,0|1,0,1]=4 369 B7R0.5 CCOC(=O)[C@H](C)N 12964 [0,2,0,0,0,0|1,0,1]=4 370 B7R0.7 CCCC(N)CCC 12594 [0,2,0,0,0,0|2,0,0]=4 371 B7R0.7 CCOC(=O)CCN 10927 [0,2,0,0,0,0|1,0,1]=4 372 B7R0.7 CCOC(=O)CNC 10917 [0,2,0,0,0,0|1,0,1]=4 373 B7R0.7 CCOC(=O)CNN 2459 [0,2,0,0,0,0|1,0,1]=4 374 B7R0.7 CCOP(C)OCC 35787 [0,2,0,0,0,0|2,0,0]=4 375 B7R0.7 COCC(N)COC 23938 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.10 OC[C@@H](O)[C@H](O)CO 6771 [0,2,0,0,0,0|2,0,0]=4 377 B7R0.11 CCO[C@@](C)(O)CO 25593 [0,2,0,0,0,0|1,0,0]=3 378 B7R0.11 CCO[C@](C)(O)CO 25595 [0,2,0,0,0,0|1,0,0]=3 379 B7R0.12 CCN(CC)CCCl 23589 [0,2,0,0,0,0|2,0,0]=4 380 B7R0.12 CCN(CC)CCN 27422 [0,2,0,0,0,0|1,0,0]=3 381 B7R0.12 CNCC(OC)OC 23368 [0,2,0,0,0,0|1,0,0]=3 382 B7R0.12 COCC(OC)OC 12773 [0,2,0,0,0,0|2,0,0]=4 383 B7R0.13 CC(C)(CN)C(N)=O 23758 [0,2,0,0,0,0|1,0,1]=4 384 B7R0.13 CCC(C)(C)C(=O)Cl 36536 [0,2,0,0,0,0|1,0,1]=4 385 B7R0.13 CCC(C)(N)C(=O)O 30150 [0,2,0,0,0,0|1,0,1]=4 386 B7R0.13 CC[C@@](C)(N)C(=O)O 30164 [0,2,0,0,0,0|1,0,1]=4 387 B7R0.13 CC[C@](C)(N)C(=O)O 29949 [0,2,0,0,0,0|1,0,1]=4 388 B7R0.13 CC[C@](C)(N)C(=O)O 35837 [0,2,0,0,0,0|1,0,1]=4 389 B7R0.14 CCC(C)[B-](F)(F)F 11289 [0,2,0,0,0,0|2,0,0]=4 390 B7R0.15 CC[C@H](CO)C(=O)O 14232 [0,2,0,0,0,0|1,0,1]=4 391 B7R0.16 CC(C)[C@H](N)C(N)=O 34993 [0,2,0,0,0,0|1,0,1]=4 392 B7R0.18 CC[Si](Cl)(CC)CC 12836 [0,2,0,0,0,0|1,1,0]=4 393 B7R0.18 NC(CO)(CO)CO 26425 [0,2,0,0,0,0|2,0,0]=4 394 B5R1.2 BrC1COC1 35713 [1,0,0,1,0,0|2,0,0]=4 395 B5R1.2 FC1CNC1 10162 [1,0,0,1,0,0|1,0,0]=3 396 B5R1.2 FC1CNC1 24864 [1,0,0,1,0,0|1,0,0]=3 397 B5R1.2 IC1COC1 29373 [1,0,0,1,0,0|2,0,0]=4 398 B5R1.2 NC1CCC1 11047 [1,0,0,1,0,0|0,0,0]=2 399 B5R1.2 NC1CCC1 35736 [1,0,0,1,0,0|0,0,0]=2 400 B5R1.2 NC1COC1 20414 [1,0,0,1,0,0|1,0,0]=3 401 B5R1.2 O=C1CCC1 9021 [1,0,0,1,0,0|1,0,1]=4 402 B5R1.2 OC1CCC1 27295 [1,0,0,1,0,0|1,0,0]=3 403 B5R1.2 OC1CNC1 10157 [1,0,0,1,0,0|1,0,0]=3 404 B5R1.2 OC1CNC1 12930 [1,0,0,1,0,0|1,0,0]=3 405 B5R1.2 OC1COC1 17367 [1,0,0,1,0,0|2,0,0]=4 406 B5R1.3 BrCC1CC1 13771 [1,0,0,1,0,0|1,0,0]=3 407 B5R1.3 BrCC1CO1 21362 [1,0,0,1,0,0|2,0,0]=4 408 B5R1.3 CC[C@@H]1CO1 14098 [1,0,0,1,0,0|1,0,0]=3 409 B5R1.3 CC[C@H]1CO1 14100 [1,0,0,1,0,0|1,0,0]=3 410 B5R1.3 ClCC1CC1 10983 [1,0,0,1,0,0|1,0,0]=3 411 B5R1.3 ClCC1CO1 5779 [1,0,0,1,0,0|2,0,0]=4 412 B5R1.3 ClCC1CO1 5780 [1,0,0,1,0,0|2,0,0]=4 413 B5R1.3 NNC1CC1 45053 [1,0,0,1,0,0|1,0,0]=3 414 B5R1.3 O=CC1CC1 12460 [1,0,0,1,0,0|1,0,1]=4 415 B5R1.3 OCC1CC1 9773 [1,0,0,1,0,0|1,0,0]=3 416 B5R1.3 OCC1CO1 21960 [1,0,0,1,0,0|2,0,0]=4 417 B5R1.3 OC[C@@H]1CO1 5832 [1,0,0,1,0,0|2,0,0]=4 418 B5R1.3 OC[C@H]1CO1 5836 [1,0,0,1,0,0|2,0,0]=4 419 B5R1.4 CC1OC1C 35217 [1,0,0,1,0,0|1,0,0]=3 420 B5R1.5 CC1(C)CO1 12772 [1,0,0,1,0,0|1,0,0]=3 421 B5R1.1 C1=CCNC1 18771 [1,0,0,1,0,0|0,0,2]=4 422 B5R1.1 C1=CCNC1 29078 [1,0,0,1,0,0|0,0,2]=4 423 B5R1.1 C1CCNC1 19143 [1,0,0,1,0,0|0,0,0]=2 424 B5R1.1 C1CCOC1 12766 [1,0,0,1,0,0|1,0,0]=3 425 B5R1.1 C1CSCN1 35964 [1,0,0,1,0,0|1,0,0]=3 426 B5R1.1 C1CSCN1 36265 [1,0,0,1,0,0|1,0,0]=3 427 B7R1.1 BrCC1CCCC1 3104 [0,1,0,1,0,0|1,0,0]=3 428 B7R1.1 BrCC1CCCO1 6941 [0,1,0,1,0,0|1,0,0]=3 429 B7R1.1 BrCC1CCOC1 24395 [0,1,0,1,0,0|1,0,0]=3 430 B7R1.1 BrCC1OCCO1 31979 [0,1,0,1,0,0|2,0,0]=4 431 B7R1.1 CCN1CCCC1 36488 [0,1,0,1,0,0|2,0,0]=4 432 B7R1.1 CNC1CCNC1 11207 [0,1,0,1,0,0|0,0,0]=2 433 B7R1.1 CNC1CCOC1 15123 [0,1,0,1,0,0|1,0,0]=3 434 B7R1.1 CNC1CCOC1 24384 [0,1,0,1,0,0|1,0,0]=3 435 B7R1.1 CN[C@@H]1CCNC1 11209 [0,1,0,1,0,0|0,0,0]=2 436 B7R1.1 CN[C@@H]1CCOC1 24382 [0,1,0,1,0,0|1,0,0]=3 437 B7R1.1 CN[C@@H]1CCOC1 24386 [0,1,0,1,0,0|1,0,0]=3 438 B7R1.1 CN[C@H]1CCNC1 11208 [0,1,0,1,0,0|0,0,0]=2 439 B7R1.1 CN[C@H]1CCOC1 24380 [0,1,0,1,0,0|1,0,0]=3 440 B7R1.1 CN[C@H]1CCOC1 24385 [0,1,0,1,0,0|1,0,0]=3 441 B7R1.1 COC1CCNC1 19858 [0,1,0,1,0,0|0,0,0]=2 442 B7R1.1 CO[C@@H]1CCNC1 14802 [0,1,0,1,0,0|0,0,0]=2 443 B7R1.1 CO[C@H]1CCNC1 14801 [0,1,0,1,0,0|0,0,0]=2 444 B7R1.1 ClCC1CCCO1 7061 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.1 ClCC1OCCO1 31981 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.1 N#CC1CCCC1 28731 [0,1,0,1,0,0|0,0,2]=4 447 B7R1.1 N#CC1CCCN1 9421 [0,1,0,1,0,0|0,0,2]=4 448 B7R1.1 N#CC1CCNC1 23030 [0,1,0,1,0,0|0,0,1]=3 449 B7R1.1 N#CC1CCOC1 35991 [0,1,0,1,0,0|0,0,2]=4 450 B7R1.1 NCC1CCCO1 6998 [0,1,0,1,0,0|0,0,0]=2 451 B7R1.1 NCC1CCNC1 11185 [0,1,0,1,0,0|0,0,0]=2 452 B7R1.1 NC[C@@H]1CCCO1 14101 [0,1,0,1,0,0|0,0,0]=2 453 B7R1.1 NC[C@@H]1CCCO1 17261 [0,1,0,1,0,0|0,0,0]=2 454 B7R1.1 NC[C@@H]1CCNC1 11186 [0,1,0,1,0,0|0,0,0]=2 455 B7R1.1 NC[C@@H]1CCOC1 20493 [0,1,0,1,0,0|0,0,0]=2 456 B7R1.1 NC[C@H]1CCCN1 16320 [0,1,0,1,0,0|0,0,0]=2 457 B7R1.1 NC[C@H]1CCCO1 7001 [0,1,0,1,0,0|0,0,0]=2 458 B7R1.1 NC[C@H]1CCNC1 11187 [0,1,0,1,0,0|0,0,0]=2 459 B7R1.1 NC[C@H]1CCOC1 20502 [0,1,0,1,0,0|0,0,0]=2 460 B7R1.1 NNC1CCCC1 16307 [0,1,0,1,0,0|1,0,0]=3 461 B7R1.1 O=CC1CCCC1 27475 [0,1,0,1,0,0|1,0,1]=4 462 B7R1.1 O=CC1CCCO1 27177 [0,1,0,1,0,0|1,0,1]=4 463 B7R1.1 OCC1CCCC1 3097 [0,1,0,1,0,0|1,0,0]=3 464 B7R1.1 OCC1CCCO1 7086 [0,1,0,1,0,0|1,0,0]=3 465 B7R1.1 OCC1CCNC1 15733 [0,1,0,1,0,0|0,0,0]=2 466 B7R1.1 OCC1CCNC1 15883 [0,1,0,1,0,0|0,0,0]=2 467 B7R1.1 OCC1CCOC1 20510 [0,1,0,1,0,0|1,0,0]=3 468 B7R1.1 OC[C@@H]1CCCN1 6910 [0,1,0,1,0,0|1,0,0]=3 469 B7R1.1 OC[C@@H]1CCCO1 26288 [0,1,0,1,0,0|1,0,0]=3 470 B7R1.1 OC[C@@H]1CCNC1 18724 [0,1,0,1,0,0|0,0,0]=2 471 B7R1.1 OC[C@H]1CCCN1 6912 [0,1,0,1,0,0|1,0,0]=3 472 B7R1.1 OC[C@H]1CCCO1 26287 [0,1,0,1,0,0|1,0,0]=3 473 B7R1.1 OC[C@H]1CCNC1 18723 [0,1,0,1,0,0|0,0,0]=2 474 B7R1.2 CC1COC(=O)C1 35360 [0,1,0,1,0,0|1,0,1]=4 475 B7R1.2 CN1CCC(=O)C1 20342 [0,1,0,1,0,0|1,0,1]=4 476 B7R1.2 CN1CCC(N)C1 15706 [0,1,0,1,0,0|1,0,0]=3 477 B7R1.2 CN1CCC(O)C1 14117 [0,1,0,1,0,0|1,0,0]=3 478 B7R1.2 CN1CC[C@@H](O)C1 13969 [0,1,0,1,0,0|1,0,0]=3 479 B7R1.2 C[C@@H]1CCC(=O)O1 6865 [0,1,0,1,0,0|1,0,1]=4 480 B7R1.2 NC1CNC(=O)C1 31656 [0,1,0,1,0,0|1,0,1]=4 481 B7R1.2 N[C@@H]1CC[C@@H](O)C1 20430 [0,1,0,1,0,0|1,0,0]=3 482 B7R1.2 N[C@@H]1CC[C@@H](O)C1 23914 [0,1,0,1,0,0|1,0,0]=3 483 B7R1.2 N[C@H]1CC[C@@H](O)C1 32220 [0,1,0,1,0,0|1,0,0]=3 484 B7R1.2 O=C1C[C@@H](O)CN1 6351 [0,1,0,1,0,0|1,0,1]=4 485 B7R1.2 O=C1C[C@@H](S)CN1 26289 [0,1,0,1,0,0|1,0,1]=4 486 B7R1.2 O=C1C[C@H](O)CN1 19064 [0,1,0,1,0,0|1,0,1]=4 487 B7R1.3 BrC1CCCCN1 6734 [0,1,0,1,0,0|2,0,0]=4 488 B7R1.3 BrC1CCCNC1 6733 [0,1,0,1,0,0|1,0,0]=3 489 B7R1.3 BrC1CCNCC1 9060 [0,1,0,1,0,0|1,0,0]=3 490 B7R1.3 BrC1CCOCC1 13108 [0,1,0,1,0,0|2,0,0]=4 491 B7R1.3 CC1CCCCN1 7704 [0,1,0,1,0,0|1,0,0]=3 492 B7R1.3 CC1CCCNC1 7705 [0,1,0,1,0,0|0,0,0]=2 493 B7R1.3 CC1CCNCC1 7707 [0,1,0,1,0,0|0,0,0]=2 494 B7R1.3 CC1CNCCN1 8560 [0,1,0,1,0,0|0,0,0]=2 495 B7R1.3 CC1CNCCO1 14222 [0,1,0,1,0,0|0,0,0]=2 496 B7R1.3 CC1COCCN1 14221 [0,1,0,1,0,0|1,0,0]=3 497 B7R1.3 CC1COCCN1 17245 [0,1,0,1,0,0|1,0,0]=3 498 B7R1.3 CN1CCCCC1 7703 [0,1,0,1,0,0|2,0,0]=4 499 B7R1.3 CN1CCNCC1 15033 [0,1,0,1,0,0|1,0,0]=3 500 B7R1.3 CN1CCNCC1 8561 [0,1,0,1,0,0|1,0,0]=3 501 B7R1.3 CN1CCOCC1 17627 [0,1,0,1,0,0|2,0,0]=4 502 B7R1.3 CN1CCOCC1 18300 [0,1,0,1,0,0|2,0,0]=4 503 B7R1.3 C[C@@H]1CCCCN1 14248 [0,1,0,1,0,0|1,0,0]=3 504 B7R1.3 C[C@@H]1CNCCN1 13111 [0,1,0,1,0,0|0,0,0]=2 505 B7R1.3 C[C@@H]1CNCCN1 15034 [0,1,0,1,0,0|0,0,0]=2 506 B7R1.3 C[C@@H]1CNCCO1 15013 [0,1,0,1,0,0|0,0,0]=2 507 B7R1.3 C[C@@H]1CNCCO1 17029 [0,1,0,1,0,0|0,0,0]=2 508 B7R1.3 C[C@@H]1COCCN1 11363 [0,1,0,1,0,0|1,0,0]=3 509 B7R1.3 C[C@@H]1COCCN1 17244 [0,1,0,1,0,0|1,0,0]=3 510 B7R1.3 C[C@H]1CCCCN1 15597 [0,1,0,1,0,0|1,0,0]=3 511 B7R1.3 C[C@H]1CNCCN1 15035 [0,1,0,1,0,0|0,0,0]=2 512 B7R1.3 C[C@H]1CNCCO1 11359 [0,1,0,1,0,0|0,0,0]=2 513 B7R1.3 C[C@H]1CNCCO1 17028 [0,1,0,1,0,0|0,0,0]=2 514 B7R1.3 C[C@H]1COCCN1 11364 [0,1,0,1,0,0|1,0,0]=3 515 B7R1.3 C[C@H]1COCCN1 17226 [0,1,0,1,0,0|1,0,0]=3 516 B7R1.3 ClC1CCCCN1 6738 [0,1,0,1,0,0|2,0,0]=4 517 B7R1.3 ClC1CCNCC1 30446 [0,1,0,1,0,0|1,0,0]=3 518 B7R1.3 ClC1CCNCC1 6744 [0,1,0,1,0,0|1,0,0]=3 519 B7R1.3 ClC1CCOCC1 36112 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.3 FC1CCCNC1 24370 [0,1,0,1,0,0|1,0,0]=3 521 B7R1.3 FC1CCNCC1 44985 [0,1,0,1,0,0|1,0,0]=3 522 B7R1.3 F[C@@H]1CCCNC1 24371 [0,1,0,1,0,0|1,0,0]=3 523 B7R1.3 F[C@H]1CCCNC1 24372 [0,1,0,1,0,0|1,0,0]=3 524 B7R1.3 IC1CCOCC1 44921 [0,1,0,1,0,0|2,0,0]=4 525 B7R1.3 NC1CCCCN1 6729 [0,1,0,1,0,0|2,0,0]=4 526 B7R1.3 NC1CCCNC1 6731 [0,1,0,1,0,0|1,0,0]=3 527 B7R1.3 NC1CCCNC1 6755 [0,1,0,1,0,0|1,0,0]=3 528 B7R1.3 NC1CCCOC1 20424 [0,1,0,1,0,0|2,0,0]=4 529 B7R1.3 NC1CCNCC1 6727 [0,1,0,1,0,0|1,0,0]=3 530 B7R1.3 NC1CCNCC1 7722 [0,1,0,1,0,0|1,0,0]=3 531 B7R1.3 NC1CCOCC1 22240 [0,1,0,1,0,0|2,0,0]=4 532 B7R1.3 NC1CCOCC1 26069 [0,1,0,1,0,0|2,0,0]=4 533 B7R1.3 NC1CCOCC1 9558 [0,1,0,1,0,0|2,0,0]=4 534 B7R1.3 NC1CCOCC1 9675 [0,1,0,1,0,0|2,0,0]=4 535 B7R1.3 NC1CCSCC1 18748 [0,1,0,1,0,0|2,0,0]=4 536 B7R1.3 N[C@@H]1CCCNC1 3013 [0,1,0,1,0,0|1,0,0]=3 537 B7R1.3 N[C@@H]1CCCOC1 19625 [0,1,0,1,0,0|2,0,0]=4 538 B7R1.3 N[C@@H]1CCCOC1 22289 [0,1,0,1,0,0|2,0,0]=4 539 B7R1.3 N[C@H]1CCCNC1 11476 [0,1,0,1,0,0|1,0,0]=3 540 B7R1.3 N[C@H]1CCCOC1 19623 [0,1,0,1,0,0|2,0,0]=4 541 B7R1.3 N[C@H]1CCCOC1 22290 [0,1,0,1,0,0|2,0,0]=4 542 B7R1.3 O=C1CCCNC1 24362 [0,1,0,1,0,0|1,0,1]=4 543 B7R1.3 O=C1CCCNC1 26624 [0,1,0,1,0,0|1,0,1]=4 544 B7R1.3 O=C1CCNCC1 6789 [0,1,0,1,0,0|1,0,1]=4 545 B7R1.3 O=C1CCNCC1 7756 [0,1,0,1,0,0|1,0,1]=4 546 B7R1.3 O=C1CNCCN1 23093 [0,1,0,1,0,0|1,0,1]=4 547 B7R1.3 O=C1CNCCN1 8557 [0,1,0,1,0,0|1,0,1]=4 548 B7R1.3 O=C1CNCCO1 27815 [0,1,0,1,0,0|1,0,1]=4 549 B7R1.3 OC1CCCCN1 6787 [0,1,0,1,0,0|2,0,0]=4 550 B7R1.3 OC1CCCNC1 6782 [0,1,0,1,0,0|1,0,0]=3 551 B7R1.3 OC1CCCNC1 6818 [0,1,0,1,0,0|1,0,0]=3 552 B7R1.3 OC1CCCOC1 20064 [0,1,0,1,0,0|2,0,0]=4 553 B7R1.3 OC1CCNCC1 6780 [0,1,0,1,0,0|1,0,0]=3 554 B7R1.3 OC1CCNCC1 7714 [0,1,0,1,0,0|1,0,0]=3 555 B7R1.3 OC1CCOCC1 10170 [0,1,0,1,0,0|2,0,0]=4 556 B7R1.3 O[C@@H]1CCCNC1 11310 [0,1,0,1,0,0|1,0,0]=3 557 B7R1.3 O[C@@H]1CCCNC1 24363 [0,1,0,1,0,0|1,0,0]=3 558 B7R1.3 O[C@@H]1CCCOC1 24398 [0,1,0,1,0,0|2,0,0]=4 559 B7R1.3 O[C@H]1CCCNC1 11309 [0,1,0,1,0,0|1,0,0]=3 560 B7R1.3 O[C@H]1CCCNC1 24364 [0,1,0,1,0,0|1,0,0]=3 561 B7R1.3 O[C@H]1CCCOC1 24399 [0,1,0,1,0,0|2,0,0]=4 562 B7R1.4 CC1CCNC1=O 18075 [0,1,0,1,0,0|0,0,1]=3 563 B7R1.4 CC1OCCC1=O 7120 [0,1,0,1,0,0|1,0,1]=4 564 B7R1.4 CC1OCCC1S 9972 [0,1,0,1,0,0|1,0,0]=3 565 B7R1.4 F[C@@H]1CNC[C@H]1F 23640 [0,1,0,1,0,0|1,0,0]=3 566 B7R1.4 NC1CCOC1=O 6982 [0,1,0,1,0,0|1,0,1]=4 567 B7R1.4 NC1CCSC1=O 26584 [0,1,0,1,0,0|1,0,1]=4 568 B7R1.4 N[C@@H]1CCC[C@H]1O 11874 [0,1,0,1,0,0|1,0,0]=3 569 B7R1.4 N[C@@H]1CCNC1=O 24096 [0,1,0,1,0,0|1,0,1]=4 570 B7R1.4 N[C@@H]1CCOC1=O 14743 [0,1,0,1,0,0|1,0,1]=4 571 B7R1.4 N[C@H]1CCC[C@@H]1O 27232 [0,1,0,1,0,0|1,0,0]=3 572 B7R1.4 N[C@H]1CCOC1=O 13830 [0,1,0,1,0,0|1,0,1]=4 573 B7R1.4 O=C1NCC[C@@H]1O 26213 [0,1,0,1,0,0|1,0,1]=4 574 B7R1.4 O[C@H]1COC[C@H]1O 14164 [0,1,0,1,0,0|2,0,0]=4 575 B7R1.6 COCC1CNC1 26682 [0,1,0,1,0,0|0,0,0]=2 576 B7R1.6 OCCN1CCC1 34771 [0,1,0,1,0,0|2,0,0]=4 577 B7R1.10 N[C@H]1C[C@@H](CO)C1 26630 [0,1,0,1,0,0|1,0,0]=3 578 B7R1.15 C[C@@H]1NC(=O)[C@@H]1O 24549 [0,1,0,1,0,0|1,0,1]=4 579 B7R1.25 CC1(C=O)COC1 24599 [0,1,0,1,0,0|1,0,1]=4 580 B7R1.25 CC1(CN)COC1 24311 [0,1,0,1,0,0|0,0,0]=2 581 B7R1.25 CC1(CO)COC1 14170 [0,1,0,1,0,0|1,0,0]=3 582 B7R1.25 COC1(C)CNC1 31879 [0,1,0,1,0,0|1,0,0]=3 583 B7R1.18 CC(O)C1CCC1 16458 [0,1,0,1,0,0|1,0,0]=3 584 B7R1.18 NC(=O)C1CNC1 29374 [0,1,0,1,0,0|1,0,1]=4 585 B7R1.18 NC(=O)C1CNC1 29375 [0,1,0,1,0,0|1,0,1]=4 586 B7R1.18 O=C(O)C1CCC1 14139 [0,1,0,1,0,0|1,0,1]=4 587 B7R1.18 O=C(O)C1CNC1 10160 [0,1,0,1,0,0|1,0,1]=4 588 B7R1.18 O=C(O)C1CNC1 30447 [0,1,0,1,0,0|1,0,1]=4 589 B7R1.18 OB(O)C1CCC1 30320 [0,1,0,1,0,0|2,0,0]=4 590 B7R1.19 CC1(C(=O)O)CC1 16037 [0,1,0,1,0,0|1,0,1]=4 591 B7R1.14 CC1(C)CCCN1 22249 [0,1,0,1,0,0|2,0,0]=4 592 B7R1.14 CC1(O)CCCC1 29357 [0,1,0,1,0,0|1,0,0]=3 593 B7R1.14 C[Si]1(C)CCCC1 28986 [0,1,0,1,0,0|1,1,0]=4 594 B7R1.14 FC1(F)CCNC1 9358 [0,1,0,1,0,0|1,0,0]=3 595 B7R1.29 OCC1(CO)CC1 15258 [0,1,0,1,0,0|1,0,0]=3 596 B7R2.13 C1NCC2CC12 18421 [0,0,0,2,0,0|0,0,0]=2 597 B7R2.13 C1OCC2OC12 26470 [0,0,0,2,0,0|2,0,0]=4