0 B4R0.1 C#CC(=O)O 23201 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C#CC(C)=O 2024 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.1 C#C[C@@H](C)O 20211 [0,0,0,0,0,0|1,0,1]=2 3 B4R0.1 C=C(C)CCl 20429 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C=CC(=O)O 21090 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 CC(=O)CBr 24199 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.1 CC(C)=CBr 29713 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 CC(C)CI 3951 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.1 CC(C)NN 26972 [0,0,0,0,0,0|2,0,0]=2 9 B4R0.1 CC(O)CBr 12555 [0,0,0,0,0,0|1,0,0]=1 10 B4R0.1 CC=C(C)C 2026 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.1 CCB(O)O 7960 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.1 CCC(C)Br 3753 [0,0,0,0,0,0|2,0,0]=2 13 B4R0.1 CCC(C)I 3940 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.1 CCC(C)O 6718 [0,0,0,0,0,0|1,0,0]=1 15 B4R0.1 CCC([NH-])=O 10938 [0,0,0,0,0,0|2,0,2]=4 16 B4R0.1 CCN(C)C 10322 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 CCS(=O)[O-] 24643 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 CC[C@@H](C)N 6741 [0,0,0,0,0,0|2,0,0]=2 19 B4R0.1 CC[C@@H](C)O 6717 [0,0,0,0,0,0|1,0,0]=1 20 B4R0.1 CC[C@H](C)N 6743 [0,0,0,0,0,0|2,0,0]=2 21 B4R0.1 CN(C)C=O 23341 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 CNC(C)C 10279 [0,0,0,0,0,0|3,0,0]=3 23 B4R0.1 COC(C)=N 2122 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.1 COC(Cl)Cl 2376 [0,0,0,0,0,0|4,0,0]=4 25 B4R0.1 C[C@@H](Cl)CO 8287 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.1 C[C@@H](N)CN 29215 [0,0,0,0,0,0|1,0,0]=1 27 B4R0.1 C[C@@H](N)CO 9884 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.1 C[C@@H](O)CBr 23955 [0,0,0,0,0,0|1,0,0]=1 29 B4R0.1 C[C@@H](O)CCl 14071 [0,0,0,0,0,0|1,0,0]=1 30 B4R0.1 C[C@@H](O)CI 23956 [0,0,0,0,0,0|1,0,0]=1 31 B4R0.1 C[C@@H](O)CN 5721 [0,0,0,0,0,0|0,0,0]=0 32 B4R0.1 C[C@@H](O)CO 5857 [0,0,0,0,0,0|1,0,0]=1 33 B4R0.1 C[C@H](Cl)CO 8285 [0,0,0,0,0,0|2,0,0]=2 34 B4R0.1 C[C@H](N)CN 15232 [0,0,0,0,0,0|1,0,0]=1 35 B4R0.1 C[C@H](N)CO 5710 [0,0,0,0,0,0|2,0,0]=2 36 B4R0.1 C[C@H](O)CBr 20478 [0,0,0,0,0,0|1,0,0]=1 37 B4R0.1 C[C@H](O)CCl 14072 [0,0,0,0,0,0|1,0,0]=1 38 B4R0.1 C[C@H](O)CN 5720 [0,0,0,0,0,0|0,0,0]=0 39 B4R0.1 C[C@H](O)CO 5853 [0,0,0,0,0,0|1,0,0]=1 40 B4R0.1 C\C(N)=N\O 31948 [0,0,0,0,0,0|3,0,1]=4 41 B4R0.1 C\C=C(/C)Br 29073 [0,0,0,0,0,0|2,0,2]=4 42 B4R0.1 N#CC(Br)Br 12509 [0,0,0,0,0,0|2,0,2]=4 43 B4R0.1 N#CC(Cl)Cl 17242 [0,0,0,0,0,0|2,0,2]=4 44 B4R0.1 N=C(N)CCl 20222 [0,0,0,0,0,0|3,0,1]=4 45 B4R0.1 NC(=O)CBr 31995 [0,0,0,0,0,0|2,0,2]=4 46 B4R0.1 NC(=O)CI 12542 [0,0,0,0,0,0|2,0,2]=4 47 B4R0.1 NCC(=O)O 18924 [0,0,0,0,0,0|1,0,1]=2 48 B4R0.1 NCC(=O)[O-] 26210 [0,0,0,0,0,0|1,0,2]=3 49 B4R0.1 NCC(=O)[O-] 9921 [0,0,0,0,0,0|1,0,2]=3 50 B4R0.1 NCC(N)=O 13019 [0,0,0,0,0,0|1,0,2]=3 51 B4R0.1 NNC(N)=O 15701 [0,0,0,0,0,0|2,0,2]=4 52 B4R0.1 NNC(N)=S 13594 [0,0,0,0,0,0|2,1,1]=4 53 B4R0.1 O=C(Cl)CBr 24880 [0,0,0,0,0,0|2,0,2]=4 54 B4R0.1 O=C(O)CBr 13144 [0,0,0,0,0,0|2,0,1]=3 55 B4R0.1 O=CC(=O)O 19965 [0,0,0,0,0,0|2,0,2]=4 56 B4R0.1 OCC(F)F 26977 [0,0,0,0,0,0|3,0,0]=3 57 B4R0.1 PCC(Cl)Cl 6479 [0,0,0,0,0,0|2,1,0]=3 58 B4R0.1 [C-]#[N+]C(C)C 29396 [0,0,0,0,0,0|3,0,0]=3 59 B3R0.1 C#CCBr 20264 [1,0,0,0,0,0|1,0,2]=4 60 B3R0.1 C#CCN 18842 [1,0,0,0,0,0|0,0,2]=3 61 B3R0.1 C#CCN 18845 [1,0,0,0,0,0|0,0,2]=3 62 B3R0.1 C=CCCl 35025 [1,0,0,0,0,0|1,0,2]=4 63 B3R0.1 C=CCI 12655 [1,0,0,0,0,0|1,0,2]=4 64 B3R0.1 C=CCN 19133 [1,0,0,0,0,0|0,0,2]=3 65 B3R0.1 CCCI 3977 [1,0,0,0,0,0|1,0,0]=2 66 B3R0.1 CCC[S-] 35319 [1,0,0,0,0,0|1,0,0]=2 67 B3R0.1 CCNC 10275 [1,0,0,0,0,0|2,0,0]=3 68 B3R0.1 CCNN 16833 [1,0,0,0,0,0|1,0,0]=2 69 B3R0.1 CCON 35706 [1,0,0,0,0,0|1,0,0]=2 70 B3R0.1 CC[Mg]Br 23799 [1,0,0,0,0,0|2,0,0]=3 71 B3R0.1 CNC=O 35283 [1,0,0,0,0,0|2,0,1]=4 72 B3R0.1 CNOC 25934 [1,0,0,0,0,0|3,0,0]=4 73 B3R0.1 COCBr 23167 [1,0,0,0,0,0|2,0,0]=3 74 B3R0.1 CSSC 9665 [1,0,0,0,0,0|3,0,0]=4 75 B3R0.1 N#CCBr 12656 [1,0,0,0,0,0|1,0,2]=4 76 B3R0.1 N#CCI 12543 [1,0,0,0,0,0|1,0,2]=4 77 B3R0.1 NCCBr 32344 [1,0,0,0,0,0|1,0,0]=2 78 B3R0.1 NCCF 19132 [1,0,0,0,0,0|1,0,0]=2 79 B3R0.1 NCCO 24767 [1,0,0,0,0,0|0,0,0]=1 80 B3R0.1 NNC=O 32333 [1,0,0,0,0,0|1,0,2]=4 81 B3R0.1 SCCS 12844 [1,0,0,0,0,0|1,1,0]=3 82 B3R0.2 C=C(C)Br 27228 [1,0,0,0,0,0|1,0,2]=4 83 B3R0.2 CB(O)O 6018 [1,0,0,0,0,0|2,0,0]=3 84 B3R0.2 CC(=O)Cl 17265 [1,0,0,0,0,0|1,0,2]=4 85 B3R0.2 CC(=O)O 22173 [1,0,0,0,0,0|1,0,1]=3 86 B3R0.2 CC(=O)[O-] 10966 [1,0,0,0,0,0|1,0,2]=4 87 B3R0.2 CC(=O)[O-] 18178 [1,0,0,0,0,0|1,0,2]=4 88 B3R0.2 CC(=O)[O-] 26340 [1,0,0,0,0,0|1,0,2]=4 89 B3R0.2 CC(=O)[O-] 3997 [1,0,0,0,0,0|1,0,2]=4 90 B3R0.2 CC(C)Br 18655 [1,0,0,0,0,0|1,0,0]=2 91 B3R0.2 CC(C)I 21400 [1,0,0,0,0,0|1,0,0]=2 92 B3R0.2 CC(F)F 21302 [1,0,0,0,0,0|2,0,0]=3 93 B3R0.2 CC(O)=S 28961 [1,0,0,0,0,0|1,0,1]=3 94 B3R0.2 CC([O-])=S 25455 [1,0,0,0,0,0|1,0,2]=4 95 B3R0.2 CN(C)C 18299 [1,0,0,0,0,0|2,0,0]=3 96 B3R0.2 CP(C)C 20413 [1,0,0,0,0,0|2,0,0]=3 97 B3R0.2 CS(=O)[O-] 28957 [1,0,0,0,0,0|2,0,1]=4 98 B3R0.2 CS(C)=O 44865 [1,0,0,0,0,0|1,0,1]=3 99 B3R0.2 C[PH](C)=O 29395 [1,0,0,0,0,0|1,0,1]=3 100 B3R0.2 C[S+](C)C 44700 [1,0,0,0,0,0|2,0,0]=3 101 B3R0.2 ClC(Br)Br 12531 [1,0,0,0,0,0|3,0,0]=4 102 B3R0.2 IC(I)I 28148 [1,0,0,0,0,0|3,0,0]=4 103 B3R0.2 N=C(N)N 21372 [1,0,0,0,0,0|2,0,1]=4 104 B3R0.2 N=C(N)N 36005 [1,0,0,0,0,0|2,0,1]=4 105 B3R0.2 O=C([O-])O 23592 [1,0,0,0,0,0|2,0,1]=4 106 B3R0.2 OB(O)O 10918 [1,0,0,0,0,0|3,0,0]=4 107 B3R0.2 PC(Cl)Cl 6473 [1,0,0,0,0,0|2,1,0]=4 108 B5R0.1 C#CCC(C)O 26123 [0,1,0,0,0,0|1,0,0]=2 109 B5R0.1 C=CCB(O)O 24067 [0,1,0,0,0,0|3,0,0]=4 110 B5R0.1 CC(=O)NCO 11062 [0,1,0,0,0,0|1,0,2]=4 111 B5R0.1 CC(Br)CCBr 3866 [0,1,0,0,0,0|2,0,0]=3 112 B5R0.1 CC(C)=CCBr 35170 [0,1,0,0,0,0|2,0,1]=4 113 B5R0.1 CC(C)CCI 3950 [0,1,0,0,0,0|2,0,0]=3 114 B5R0.1 CC(C)CNN 18739 [0,1,0,0,0,0|1,0,0]=2 115 B5R0.1 CC(C)N=C=S 16501 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.1 CC(N)CCO 29198 [0,1,0,0,0,0|2,0,0]=3 117 B5R0.1 CCCB(O)O 6019 [0,1,0,0,0,0|3,0,0]=4 118 B5R0.1 CCCC(C)N 26317 [0,1,0,0,0,0|2,0,0]=3 119 B5R0.1 CCC[C@@H](C)O 6721 [0,1,0,0,0,0|1,0,0]=2 120 B5R0.1 CCC[C@H](C)O 6719 [0,1,0,0,0,0|1,0,0]=2 121 B5R0.1 CCNC(C)C 10283 [0,1,0,0,0,0|2,0,0]=3 122 B5R0.1 CCOC(C)=N 2020 [0,1,0,0,0,0|2,0,1]=4 123 B5R0.1 CCSC(C)=S 12459 [0,1,0,0,0,0|1,1,1]=4 124 B5R0.1 CN(C)CC=O 26115 [0,1,0,0,0,0|3,0,0]=4 125 B5R0.1 CN(C)CCS 35662 [0,1,0,0,0,0|3,0,0]=4 126 B5R0.1 CNCC(=O)O 10995 [0,1,0,0,0,0|1,0,1]=3 127 B5R0.1 COCC(C)O 1904 [0,1,0,0,0,0|1,0,0]=2 128 B5R0.1 COC[C@@H](C)O 6714 [0,1,0,0,0,0|1,0,0]=2 129 B5R0.1 COC[C@H](C)O 6715 [0,1,0,0,0,0|1,0,0]=2 130 B5R0.1 C[C@@H](O)CCO 6724 [0,1,0,0,0,0|1,0,0]=2 131 B5R0.1 C[C@H](O)CCO 6722 [0,1,0,0,0,0|1,0,0]=2 132 B5R0.1 N#CCC(=O)O 20139 [0,1,0,0,0,0|1,0,2]=4 133 B5R0.1 NCCC(=O)O 10996 [0,1,0,0,0,0|1,0,1]=3 134 B5R0.1 NCCC(N)=O 18936 [0,1,0,0,0,0|1,0,2]=4 135 B5R0.1 O=C(O)CCCl 13689 [0,1,0,0,0,0|2,0,1]=4 136 B5R0.1 O=C(O)CCO 12598 [0,1,0,0,0,0|2,0,1]=4 137 B5R0.1 O=C(O)CCS 36422 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.3 C#CC(O)CC 26391 [0,1,0,0,0,0|1,0,1]=3 139 B5R0.3 C=C[C@H](O)CO 19971 [0,1,0,0,0,0|1,0,1]=3 140 B5R0.3 CCC(N)CO 14779 [0,1,0,0,0,0|2,0,0]=3 141 B5R0.3 CCP(Cl)CC 6480 [0,1,0,0,0,0|3,0,0]=4 142 B5R0.3 CC[C@@H](O)CO 14093 [0,1,0,0,0,0|1,0,0]=2 143 B5R0.3 CC[C@H](C)C#N 32183 [0,1,0,0,0,0|2,0,0]=3 144 B5R0.3 CC[C@H](C)CN 16256 [0,1,0,0,0,0|1,0,0]=2 145 B5R0.3 CC[C@H](O)CO 14096 [0,1,0,0,0,0|1,0,0]=2 146 B5R0.3 CNC(=S)NN 10768 [0,1,0,0,0,0|1,1,1]=4 147 B5R0.3 COC(=O)CN 10899 [0,1,0,0,0,0|0,0,2]=3 148 B5R0.3 COC(=O)CS 10788 [0,1,0,0,0,0|1,0,2]=4 149 B5R0.3 COC(=O)NN 17404 [0,1,0,0,0,0|1,0,2]=4 150 B5R0.3 CO[C@@H](C)CN 17733 [0,1,0,0,0,0|0,0,0]=1 151 B5R0.3 CO[C@@H](C)CN 17747 [0,1,0,0,0,0|0,0,0]=1 152 B5R0.3 CO[C@@H](C)CO 26646 [0,1,0,0,0,0|1,0,0]=2 153 B5R0.3 CO[C@H](C)CN 17734 [0,1,0,0,0,0|0,0,0]=1 154 B5R0.3 CO[C@H](C)CN 17748 [0,1,0,0,0,0|0,0,0]=1 155 B5R0.3 CSC(=S)NN 35538 [0,1,0,0,0,0|1,1,1]=4 156 B5R0.3 NC(CO)CO 11931 [0,1,0,0,0,0|2,0,0]=3 157 B5R0.3 NC[C@@H](O)CO 5711 [0,1,0,0,0,0|0,0,0]=1 158 B5R0.3 NC[C@H](O)CCl 34211 [0,1,0,0,0,0|0,0,0]=1 159 B5R0.3 NC[C@H](O)CO 5712 [0,1,0,0,0,0|0,0,0]=1 160 B5R0.3 O=C(CO)CO 4053 [0,1,0,0,0,0|1,0,2]=4 161 B5R0.3 O=CC(O)CO 13962 [0,1,0,0,0,0|1,0,1]=3 162 B5R0.3 O=C[C@@H](O)CO 6339 [0,1,0,0,0,0|1,0,1]=3 163 B5R0.3 O=C[C@@H](O)CO 6340 [0,1,0,0,0,0|1,0,1]=3 164 B5R0.3 O=C[C@H](O)CO 6338 [0,1,0,0,0,0|1,0,1]=3 165 B5R0.3 OC(CCl)CCl 5871 [0,1,0,0,0,0|1,0,0]=2 166 B5R0.3 OCC(O)CCl 21311 [0,1,0,0,0,0|1,0,0]=2 167 B5R0.3 OCC(O)CO 16092 [0,1,0,0,0,0|1,0,0]=2 168 B5R0.3 OC[C@@H](O)CCl 5741 [0,1,0,0,0,0|1,0,0]=2 169 B5R0.3 OC[C@H](O)CCl 5740 [0,1,0,0,0,0|1,0,0]=2 170 B5R0.4 C#CC(C)(C)C 12530 [0,1,0,0,0,0|2,0,1]=4 171 B5R0.4 C=CC(C)(C)O 36012 [0,1,0,0,0,0|1,0,1]=3 172 B5R0.4 CC(C)(C)C#N 29032 [0,1,0,0,0,0|1,0,2]=4 173 B5R0.4 CC(C)(C)C=O 1910 [0,1,0,0,0,0|2,0,1]=4 174 B5R0.4 CC(C)(C)CN 28998 [0,1,0,0,0,0|1,0,0]=2 175 B5R0.4 CC(C)(C)N=O 45117 [0,1,0,0,0,0|3,0,0]=4 176 B5R0.4 CC(C)(C)NN 35993 [0,1,0,0,0,0|2,0,0]=3 177 B5R0.4 CC(C)(C)ON 19621 [0,1,0,0,0,0|2,0,0]=3 178 B5R0.4 CC(C)(F)C#N 22301 [0,1,0,0,0,0|1,0,2]=4 179 B5R0.4 CC(C)(N)C#N 25459 [0,1,0,0,0,0|1,0,2]=4 180 B5R0.4 CC(C)(N)CN 28209 [0,1,0,0,0,0|1,0,0]=2 181 B5R0.4 CC(C)(N)CO 2208 [0,1,0,0,0,0|2,0,0]=3 182 B5R0.4 CC(C)(O)CCl 3675 [0,1,0,0,0,0|1,0,0]=2 183 B5R0.4 CC(C)(O)CN 32121 [0,1,0,0,0,0|0,0,0]=1 184 B5R0.4 CC(C)(S)CN 28945 [0,1,0,0,0,0|0,1,0]=2 185 B5R0.4 CC(F)(F)CN 35941 [0,1,0,0,0,0|1,0,0]=2 186 B5R0.4 CC(F)(F)CO 35038 [0,1,0,0,0,0|2,0,0]=3 187 B5R0.4 CCC(C)(C)O 21405 [0,1,0,0,0,0|1,0,0]=2 188 B5R0.4 C[Si](C)(C)CBr 13669 [0,1,0,0,0,0|2,1,0]=4 189 B5R0.4 C[Si](C)(C)CCl 13668 [0,1,0,0,0,0|2,1,0]=4 190 B5R0.4 C[Si](C)(Cl)CCl 13667 [0,1,0,0,0,0|2,1,0]=4 191 B5R0.4 FC(F)(F)CBr 26156 [0,1,0,0,0,0|3,0,0]=4 192 B5R0.4 FCC(F)(F)F 36090 [0,1,0,0,0,0|3,0,0]=4 193 B5R0.4 NCC(F)(F)F 29092 [0,1,0,0,0,0|2,0,0]=3 194 B5R0.4 NCP(=O)(O)O 44877 [0,1,0,0,0,0|2,0,0]=3 195 B5R0.4 NOS(=O)(=O)O 22758 [0,1,0,0,0,0|3,0,0]=4 196 B5R0.4 OCC(F)(F)Br 35112 [0,1,0,0,0,0|3,0,0]=4 197 B5R0.4 OCC(F)(F)F 12849 [0,1,0,0,0,0|3,0,0]=4 198 B5R0.4 [Li]C[Si](C)(C)C 18144 [0,1,0,0,0,0|2,1,0]=4 199 B5R0.5 CC(=O)C(C)Br 12679 [0,1,0,0,0,0|1,0,2]=4 200 B5R0.5 CC(Br)C(=O)Cl 35707 [0,1,0,0,0,0|2,0,1]=4 201 B5R0.5 CC(Br)C(C)Br 12534 [0,1,0,0,0,0|2,0,0]=3 202 B5R0.5 CC(C)B(O)O 7987 [0,1,0,0,0,0|3,0,0]=4 203 B5R0.5 CC(C)C(=O)Cl 18648 [0,1,0,0,0,0|2,0,1]=4 204 B5R0.5 CC(C)C(C)O 32297 [0,1,0,0,0,0|1,0,0]=2 205 B5R0.5 CC(C)C(N)=O 21345 [0,1,0,0,0,0|1,0,1]=3 206 B5R0.5 CC(Cl)C(=O)O 5746 [0,1,0,0,0,0|2,0,1]=4 207 B5R0.5 CC(F)C(=O)O 13698 [0,1,0,0,0,0|2,0,1]=4 208 B5R0.5 CC(N)B(O)O 33616 [0,1,0,0,0,0|2,0,0]=3 209 B5R0.5 CC(N)C(=O)O 11009 [0,1,0,0,0,0|1,0,1]=3 210 B5R0.5 CC(O)C(=O)O 30331 [0,1,0,0,0,0|1,0,1]=3 211 B5R0.5 CC(O)C(=O)[O-] 20459 [0,1,0,0,0,0|1,0,1]=3 212 B5R0.5 CN(C)C(=N)N 19198 [0,1,0,0,0,0|2,0,1]=4 213 B5R0.5 C[C@@H](Br)C(=O)O 26125 [0,1,0,0,0,0|2,0,1]=4 214 B5R0.5 C[C@@H](Cl)C(=O)O 5747 [0,1,0,0,0,0|2,0,1]=4 215 B5R0.5 C[C@@H](N)B(O)O 33655 [0,1,0,0,0,0|2,0,0]=3 216 B5R0.5 C[C@@H](N)C(=O)O 11002 [0,1,0,0,0,0|1,0,1]=3 217 B5R0.5 C[C@@H](N)C(N)=O 12667 [0,1,0,0,0,0|1,0,1]=3 218 B5R0.5 C[C@@H](O)C(=O)O 16738 [0,1,0,0,0,0|1,0,1]=3 219 B5R0.5 C[C@H](Br)C(=O)O 8278 [0,1,0,0,0,0|2,0,1]=4 220 B5R0.5 C[C@H](N)B(O)O 33647 [0,1,0,0,0,0|2,0,0]=3 221 B5R0.5 C[C@H](N)C(=O)O 12862 [0,1,0,0,0,0|1,0,1]=3 222 B5R0.5 C[C@H](N)C(N)=O 5715 [0,1,0,0,0,0|1,0,1]=3 223 B5R0.5 C[C@H](O)C(=O)O 26021 [0,1,0,0,0,0|1,0,1]=3 224 B5R0.5 O=C(O)C(F)F 12637 [0,1,0,0,0,0|2,0,1]=4 225 B5R0.5 [*]C(=O)[C@H](C)N 24898 [0,1,0,0,0,0|1,0,2]=4 226 B5R1.2 BrC1COC1 35713 [0,0,0,1,0,0|2,0,0]=3 227 B5R1.2 FC1CNC1 10162 [0,0,0,1,0,0|1,0,0]=2 228 B5R1.2 FC1CNC1 24864 [0,0,0,1,0,0|1,0,0]=2 229 B5R1.2 IC1COC1 29373 [0,0,0,1,0,0|2,0,0]=3 230 B5R1.2 NC1CCC1 11047 [0,0,0,1,0,0|2,0,0]=3 231 B5R1.2 NC1CCC1 35736 [0,0,0,1,0,0|2,0,0]=3 232 B5R1.2 NC1COC1 20414 [0,0,0,1,0,0|2,0,0]=3 233 B5R1.2 O=C1CCC1 9021 [0,0,0,1,0,0|1,0,2]=4 234 B5R1.2 O=C1CCO1 2546 [0,0,0,1,0,0|2,0,1]=4 235 B5R1.2 O=C1COC1 15880 [0,0,0,1,0,0|1,0,2]=4 236 B5R1.2 O=C1CSC1 25389 [0,0,0,1,0,0|1,0,2]=4 237 B5R1.2 OC1CCC1 27295 [0,0,0,1,0,0|1,0,0]=2 238 B5R1.2 OC1CNC1 10157 [0,0,0,1,0,0|0,0,0]=1 239 B5R1.2 OC1CNC1 12930 [0,0,0,1,0,0|0,0,0]=1 240 B5R1.2 OC1COC1 17367 [0,0,0,1,0,0|1,0,0]=2 241 B5R1.3 BrCC1CC1 13771 [0,0,0,1,0,0|2,0,0]=3 242 B5R1.3 BrCC1CO1 21362 [0,0,0,1,0,0|1,0,0]=2 243 B5R1.3 C=CC1CO1 23575 [0,0,0,1,0,0|1,0,1]=3 244 B5R1.3 CC[C@@H]1CO1 14098 [0,0,0,1,0,0|1,0,0]=2 245 B5R1.3 CC[C@H]1CO1 14100 [0,0,0,1,0,0|1,0,0]=2 246 B5R1.3 ClCC1CC1 10983 [0,0,0,1,0,0|2,0,0]=3 247 B5R1.3 ClCC1CO1 5779 [0,0,0,1,0,0|1,0,0]=2 248 B5R1.3 ClCC1CO1 5780 [0,0,0,1,0,0|1,0,0]=2 249 B5R1.3 NNC1CC1 45053 [0,0,0,1,0,0|2,0,0]=3 250 B5R1.3 O=CC1CC1 12460 [0,0,0,1,0,0|2,0,1]=4 251 B5R1.3 OCC1CC1 9773 [0,0,0,1,0,0|2,0,0]=3 252 B5R1.3 OCC1CO1 21960 [0,0,0,1,0,0|1,0,0]=2 253 B5R1.3 OC[C@@H]1CO1 5832 [0,0,0,1,0,0|1,0,0]=2 254 B5R1.3 OC[C@H]1CO1 5836 [0,0,0,1,0,0|1,0,0]=2 255 B5R1.4 CC1OC1C 35217 [0,0,0,1,0,0|1,0,0]=2 256 B5R1.5 CC1(C)CO1 12772 [0,0,0,1,0,0|2,0,0]=3 257 B2R0.1 CCI 21355 [2,0,0,0,0,0|1,0,0]=3 258 B2R0.1 CCN 45201 [2,0,0,0,0,0|0,0,0]=2 259 B2R0.1 CC[O-] 26132 [2,0,0,0,0,0|0,0,1]=3 260 B2R0.1 CNC 18186 [2,0,0,0,0,0|1,0,0]=3 261 B2R0.1 CSC 14218 [2,0,0,0,0,0|1,0,0]=3 262 B2R0.1 CSC 36251 [2,0,0,0,0,0|1,0,0]=3 263 B2R0.1 C[Mg]Br 20745 [2,0,0,0,0,0|2,0,0]=4 264 B2R0.1 ClCBr 2209 [2,0,0,0,0,0|2,0,0]=4 265 B2R0.1 FCBr 2382 [2,0,0,0,0,0|2,0,0]=4 266 B2R0.1 FCCl 35673 [2,0,0,0,0,0|2,0,0]=4 267 B4R0.2 C#CCCO 13071 [1,1,0,0,0,0|1,0,0]=3 268 B4R0.2 C#CCOC 35042 [1,1,0,0,0,0|1,0,1]=4 269 B4R0.2 C#COCC 12592 [1,1,0,0,0,0|1,0,1]=4 270 B4R0.2 C=CCCN 10268 [1,1,0,0,0,0|0,0,1]=3 271 B4R0.2 C=CCCN 36002 [1,1,0,0,0,0|0,0,1]=3 272 B4R0.2 C=CCCO 18909 [1,1,0,0,0,0|1,0,0]=3 273 B4R0.2 C=COCC 18645 [1,1,0,0,0,0|1,0,1]=4 274 B4R0.2 CC#CCO 13061 [1,1,0,0,0,0|1,0,1]=4 275 B4R0.2 CCCCBr 3752 [1,1,0,0,0,0|1,0,0]=3 276 B4R0.2 CCCCI 3939 [1,1,0,0,0,0|1,0,0]=3 277 B4R0.2 CCN=C=O 18636 [1,1,0,0,0,0|1,0,1]=4 278 B4R0.2 CCNCC 14036 [1,1,0,0,0,0|1,0,0]=3 279 B4R0.2 CCNCC 17237 [1,1,0,0,0,0|1,0,0]=3 280 B4R0.2 CCOCCl 18683 [1,1,0,0,0,0|1,0,0]=3 281 B4R0.2 CC[B+]CC 26091 [1,1,0,0,0,0|1,0,0]=3 282 B4R0.2 CNCC#N 35842 [1,1,0,0,0,0|0,0,2]=4 283 B4R0.2 CNCCCl 35179 [1,1,0,0,0,0|1,0,0]=3 284 B4R0.2 CNCCN 4020 [1,1,0,0,0,0|0,0,0]=2 285 B4R0.2 COCC#N 28756 [1,1,0,0,0,0|0,0,2]=4 286 B4R0.2 COCCBr 2138 [1,1,0,0,0,0|1,0,0]=3 287 B4R0.2 COCCCl 1911 [1,1,0,0,0,0|1,0,0]=3 288 B4R0.2 COCCO 35138 [1,1,0,0,0,0|1,0,0]=3 289 B4R0.2 CSCCCl 35891 [1,1,0,0,0,0|1,0,0]=3 290 B4R0.2 CSCCN 19131 [1,1,0,0,0,0|0,0,0]=2 291 B4R0.2 CSCCO 10846 [1,1,0,0,0,0|1,0,0]=3 292 B4R0.2 C\C=C\CC 19602 [1,1,0,0,0,0|1,0,1]=4 293 B4R0.2 C\C=C\CO 21075 [1,1,0,0,0,0|1,0,1]=4 294 B4R0.2 ICCCI 3858 [1,1,0,0,0,0|1,0,0]=3 295 B4R0.2 N#CCCBr 25994 [1,1,0,0,0,0|0,0,2]=4 296 B4R0.2 N#CCCN 19134 [1,1,0,0,0,0|0,0,1]=3 297 B4R0.2 N#CCCO 22156 [1,1,0,0,0,0|0,0,1]=3 298 B4R0.2 NCCCBr 18801 [1,1,0,0,0,0|0,0,0]=2 299 B4R0.2 NCCCN 10839 [1,1,0,0,0,0|0,0,0]=2 300 B4R0.2 NNCCO 45109 [1,1,0,0,0,0|0,0,0]=2 301 B4R0.3 CC(C)(C)Br 3814 [1,1,0,0,0,0|1,0,0]=3 302 B4R0.3 CC(C)(C)N 18255 [1,1,0,0,0,0|1,0,0]=3 303 B4R0.3 CC(C)(C)O 3012 [1,1,0,0,0,0|0,0,0]=2 304 B4R0.3 CC(C)(C)[O-] 18949 [1,1,0,0,0,0|0,0,1]=3 305 B4R0.3 CC(C)(C)[O-] 29323 [1,1,0,0,0,0|0,0,1]=3 306 B4R0.3 CC(O)(O)O 21654 [1,1,0,0,0,0|1,0,0]=3 307 B4R0.3 CS(=O)(=O)O 11149 [1,1,0,0,0,0|2,0,0]=4 308 B4R0.3 C[N+](C)(C)C 29006 [1,1,0,0,0,0|2,0,0]=4 309 B4R0.3 C[N+](C)(C)C 45105 [1,1,0,0,0,0|2,0,0]=4 310 B4R0.3 C[Si](C)(C)C 23760 [1,1,0,0,0,0|1,1,0]=4 311 B4R0.3 C[Si](C)(C)O 26363 [1,1,0,0,0,0|0,1,0]=3 312 B6R0.1 CCC(C)CCO 35939 [0,2,0,0,0,0|1,0,0]=3 313 B6R0.1 CCOC(=O)CN 10926 [0,2,0,0,0,0|0,0,2]=4 314 B6R0.1 CNCC(=O)OC 10901 [0,2,0,0,0,0|0,0,2]=4 315 B6R0.1 COC(=O)CCN 10900 [0,2,0,0,0,0|0,0,2]=4 316 B6R0.1 COC(C)CCO 35942 [0,2,0,0,0,0|1,0,0]=3 317 B6R0.1 C[C@H](CO)CCO 30370 [0,2,0,0,0,0|1,0,0]=3 318 B6R0.1 N#CC[C@@H](O)CCl 6274 [0,2,0,0,0,0|0,0,1]=3 319 B6R0.1 N#CC[C@H](O)CCl 5929 [0,2,0,0,0,0|0,0,1]=3 320 B6R0.1 OCC[C@@H](O)CO 29018 [0,2,0,0,0,0|1,0,0]=3 321 B6R0.2 CC(C)CB(O)O 7976 [0,2,0,0,0,0|2,0,0]=4 322 B6R0.2 CC(C)[NH2+]C(C)C 30286 [0,2,0,0,0,0|2,0,0]=4 323 B6R0.2 CC(N)CN(C)C 21318 [0,2,0,0,0,0|1,0,0]=3 324 B6R0.2 CC(O)CC(=O)O 13860 [0,2,0,0,0,0|1,0,0]=3 325 B6R0.2 CN(C)CC(=O)O 21520 [0,2,0,0,0,0|1,0,1]=4 326 B6R0.2 C[C@@H](N)CC(=O)O 30087 [0,2,0,0,0,0|1,0,1]=4 327 B6R0.2 C[C@@H](O)C[C@@H](C)O 6726 [0,2,0,0,0,0|1,0,0]=3 328 B6R0.2 C[C@H](N)CC(=O)O 13856 [0,2,0,0,0,0|1,0,1]=4 329 B6R0.2 C[C@H](N)CN(C)C 31826 [0,2,0,0,0,0|1,0,0]=3 330 B6R0.2 C[C@H](O)C[C@H](C)O 6728 [0,2,0,0,0,0|1,0,0]=3 331 B6R0.3 C=CC(N)C(=O)O 21785 [0,2,0,0,0,0|1,0,1]=4 332 B6R0.3 C=C[C@@H](N)C(=O)O 21787 [0,2,0,0,0,0|1,0,1]=4 333 B6R0.3 C=C[C@H](N)C(=O)O 21786 [0,2,0,0,0,0|1,0,1]=4 334 B6R0.3 C=C[C@H](N)C(=O)O 29432 [0,2,0,0,0,0|1,0,1]=4 335 B6R0.3 CC(C)C(=O)CBr 35792 [0,2,0,0,0,0|2,0,0]=4 336 B6R0.3 CC(C)[C@@H](N)CO 5789 [0,2,0,0,0,0|1,0,0]=3 337 B6R0.3 CC(C)[C@H](N)CO 5790 [0,2,0,0,0,0|1,0,0]=3 338 B6R0.3 CC(CN)C(=O)O 21922 [0,2,0,0,0,0|0,0,0]=2 339 B6R0.3 CC(CN)C(=O)O 30383 [0,2,0,0,0,0|0,0,0]=2 340 B6R0.3 CCC(Br)C(=O)O 14564 [0,2,0,0,0,0|2,0,0]=4 341 B6R0.3 CCC(C)B(O)O 29484 [0,2,0,0,0,0|1,0,0]=3 342 B6R0.3 CCC(N)C(=O)O 27168 [0,2,0,0,0,0|1,0,1]=4 343 B6R0.3 CC[C@@H](Br)C(=O)O 36160 [0,2,0,0,0,0|2,0,0]=4 344 B6R0.3 CC[C@@H](C)C(=O)O 32186 [0,2,0,0,0,0|1,0,0]=3 345 B6R0.3 CC[C@@H](N)C(=O)O 13431 [0,2,0,0,0,0|1,0,1]=4 346 B6R0.3 CC[C@@H](N)C(=O)O 15607 [0,2,0,0,0,0|1,0,1]=4 347 B6R0.3 CC[C@H](Br)C(=O)O 8279 [0,2,0,0,0,0|2,0,0]=4 348 B6R0.3 CC[C@H](C)C(=O)O 36048 [0,2,0,0,0,0|1,0,0]=3 349 B6R0.3 CC[C@H](C)C(=O)O 36048 [0,2,0,0,0,0|1,0,0]=3 350 B6R0.3 CC[C@H](N)B(O)O 33648 [0,2,0,0,0,0|2,0,0]=4 351 B6R0.3 CC[C@H](N)B(O)O 33649 [0,2,0,0,0,0|2,0,0]=4 352 B6R0.3 CC[C@H](N)C(=O)O 16473 [0,2,0,0,0,0|1,0,1]=4 353 B6R0.3 CC[C@H](N)C(=O)O 16477 [0,2,0,0,0,0|1,0,1]=4 354 B6R0.3 CC[C@H](N)C(N)=O 28166 [0,2,0,0,0,0|1,0,1]=4 355 B6R0.3 CC[C@H](N)C(N)=O 5725 [0,2,0,0,0,0|1,0,1]=4 356 B6R0.3 CC[C@H](O)C(=O)O 8265 [0,2,0,0,0,0|1,0,1]=4 357 B6R0.3 CN(C)C(=O)CN 22320 [0,2,0,0,0,0|0,0,2]=4 358 B6R0.3 CN[C@@H](C)C(=O)O 24906 [0,2,0,0,0,0|1,0,1]=4 359 B6R0.3 COC(=O)C(C)N 10905 [0,2,0,0,0,0|0,0,2]=4 360 B6R0.3 COC(=O)[C@@H](C)N 10885 [0,2,0,0,0,0|0,0,2]=4 361 B6R0.3 COC(=O)[C@@H](C)O 6056 [0,2,0,0,0,0|1,0,1]=4 362 B6R0.3 COC(=O)[C@H](C)N 10884 [0,2,0,0,0,0|0,0,2]=4 363 B6R0.3 COC(=O)[C@H](C)O 12893 [0,2,0,0,0,0|1,0,1]=4 364 B6R0.3 C[C@H](CO)C(=O)O 14230 [0,2,0,0,0,0|1,0,0]=3 365 B6R0.3 NC(=O)[C@@H](N)CO 26034 [0,2,0,0,0,0|1,0,1]=4 366 B6R0.3 NC(CO)C(=O)O 11003 [0,2,0,0,0,0|1,0,1]=4 367 B6R0.3 NC(CS)C(=O)O 12372 [0,2,0,0,0,0|1,0,1]=4 368 B6R0.3 NCC(N)C(=O)O 13822 [0,2,0,0,0,0|1,0,0]=3 369 B6R0.3 NCC(O)C(=O)O 23947 [0,2,0,0,0,0|0,0,1]=3 370 B6R0.3 NC[C@@H](N)C(=O)O 13823 [0,2,0,0,0,0|1,0,0]=3 371 B6R0.3 NC[C@H](N)C(=O)O 13356 [0,2,0,0,0,0|1,0,0]=3 372 B6R0.3 NC[C@H](N)C(=O)O 13818 [0,2,0,0,0,0|1,0,0]=3 373 B6R0.3 NC[C@H](O)C(=O)O 26012 [0,2,0,0,0,0|0,0,1]=3 374 B6R0.3 N[C@@H](CO)C(=O)O 10994 [0,2,0,0,0,0|1,0,1]=4 375 B6R0.3 N[C@@H](CS)C(=O)O 19006 [0,2,0,0,0,0|1,0,1]=4 376 B6R0.3 N[C@@H](CS)C(=O)O 19010 [0,2,0,0,0,0|1,0,1]=4 377 B6R0.3 N[C@@H](CS)C(=O)O 23844 [0,2,0,0,0,0|1,0,1]=4 378 B6R0.3 N[C@H](CO)C(=O)O 10704 [0,2,0,0,0,0|1,0,1]=4 379 B6R0.3 N[C@H](CS)C(=O)O 12314 [0,2,0,0,0,0|1,0,1]=4 380 B6R0.3 N[C@H](CS)C(=O)O 16838 [0,2,0,0,0,0|1,0,1]=4 381 B6R0.3 N[C@H](CS)C(=O)O 23177 [0,2,0,0,0,0|1,0,1]=4 382 B6R0.3 N[C@H](CS)C(=O)O 29024 [0,2,0,0,0,0|1,0,1]=4 383 B6R0.4 C=C(C)CNCC 10272 [0,2,0,0,0,0|1,0,1]=4 384 B6R0.4 CC(=O)NCCN 19141 [0,2,0,0,0,0|0,0,2]=4 385 B6R0.4 CC(Br)CCCBr 12546 [0,2,0,0,0,0|2,0,0]=4 386 B6R0.4 CC(C)NCCN 8612 [0,2,0,0,0,0|1,0,0]=3 387 B6R0.4 CCCC[C@@H](C)N 6753 [0,2,0,0,0,0|2,0,0]=4 388 B6R0.4 CCCC[C@@H](C)O 6730 [0,2,0,0,0,0|1,0,0]=3 389 B6R0.4 CCCC[C@H](C)N 6750 [0,2,0,0,0,0|2,0,0]=4 390 B6R0.4 CCCC[C@H](C)O 6732 [0,2,0,0,0,0|1,0,0]=3 391 B6R0.4 CCNCC(=O)O 23122 [0,2,0,0,0,0|1,0,1]=4 392 B6R0.4 CNCCC(C)C 16229 [0,2,0,0,0,0|1,0,0]=3 393 B6R0.4 COCCC(O)Br 10478 [0,2,0,0,0,0|2,0,0]=4 394 B6R0.5 CC(C)(C)CC=O 3076 [0,2,0,0,0,0|2,0,0]=4 395 B6R0.5 CC(C)(C)CCO 3096 [0,2,0,0,0,0|2,0,0]=4 396 B6R0.5 CS(=O)(=O)CCN 35369 [0,2,0,0,0,0|1,0,1]=4 397 B6R0.5 NCCC(F)(F)F 36099 [0,2,0,0,0,0|2,0,0]=4 398 B6R0.5 NCCP(=O)(O)O 24873 [0,2,0,0,0,0|2,0,0]=4 399 B6R0.5 NCCP(=O)(O)O 24874 [0,2,0,0,0,0|2,0,0]=4 400 B6R0.5 NCCS(=O)(=O)O 18250 [0,2,0,0,0,0|2,0,0]=4 401 B6R0.8 CC(C)(CO)CO 22258 [0,2,0,0,0,0|1,0,0]=3 402 B6R0.8 CNC(C)(C)CO 35872 [0,2,0,0,0,0|2,0,0]=4 403 B6R0.8 COC(C)(C)OC 9768 [0,2,0,0,0,0|2,0,0]=4 404 B6R0.9 C=CC(OC)OC 23316 [0,2,0,0,0,0|1,0,1]=4 405 B6R0.9 COC(CBr)OC 31980 [0,2,0,0,0,0|1,0,0]=3 406 B6R0.9 COC(CCl)OC 31982 [0,2,0,0,0,0|1,0,0]=3 407 B6R0.9 COC(CN)OC 31983 [0,2,0,0,0,0|0,0,0]=2 408 B6R0.9 COC(CO)OC 35929 [0,2,0,0,0,0|1,0,0]=3 409 B6R0.7 CC(=O)C(C)(C)O 20018 [0,2,0,0,0,0|1,0,1]=4 410 B6R0.7 CC(C)(C)S(N)=O 9911 [0,2,0,0,0,0|2,0,0]=4 411 B6R0.7 CC(C)(C)[S@@](N)=O 6057 [0,2,0,0,0,0|2,0,0]=4 412 B6R0.7 CC(C)(C)[S@](N)=O 6058 [0,2,0,0,0,0|2,0,0]=4 413 B6R0.7 CC(C)(N)C(=O)O 16474 [0,2,0,0,0,0|1,0,1]=4 414 B6R0.7 CC(C)(N)C(N)=O 31964 [0,2,0,0,0,0|1,0,1]=4 415 B6R0.7 CC(C)S(N)(=O)=O 16612 [0,2,0,0,0,0|2,0,0]=4 416 B6R0.7 CC(N)C(F)(F)F 21312 [0,2,0,0,0,0|2,0,0]=4 417 B6R0.7 CC(O)C(F)(F)F 12648 [0,2,0,0,0,0|1,0,0]=3 418 B6R0.7 CN(C)C(C)(C)N 31827 [0,2,0,0,0,0|2,0,0]=4 419 B6R0.7 C[C@@H](N)C(F)(F)F 21930 [0,2,0,0,0,0|2,0,0]=4 420 B6R0.7 C[C@H](N)C(F)(F)F 21929 [0,2,0,0,0,0|2,0,0]=4 421 B6R0.7 C[C@H](N)C(F)(F)F 24084 [0,2,0,0,0,0|2,0,0]=4 422 B6R0.7 C[C@H](N)P(=O)(O)O 12450 [0,2,0,0,0,0|2,0,0]=4 423 B6R0.7 OC(O)C(Cl)(Cl)Cl 25238 [0,2,0,0,0,0|2,0,0]=4 424 B4R1.1 C1CNC1 22634 [1,0,0,1,0,0|0,0,0]=2 425 B4R1.2 BrC1CC1 14417 [1,0,0,1,0,0|1,0,0]=3 426 B4R1.2 CC1=CC1 18904 [1,0,0,1,0,0|1,0,1]=4 427 B4R1.2 C[C@@H]1CO1 5829 [1,0,0,1,0,0|1,0,0]=3 428 B4R1.2 C[C@H]1CO1 5828 [1,0,0,1,0,0|1,0,0]=3 429 B4R1.2 OC1CC1 34599 [1,0,0,1,0,0|1,0,0]=3 430 B6R1.2 BrC1CCOC1 26260 [0,1,0,1,0,0|2,0,0]=4 431 B6R1.2 CB1NCCO1 9360 [0,1,0,1,0,0|2,0,0]=4 432 B6R1.2 CC1CCCN1 11112 [0,1,0,1,0,0|2,0,0]=4 433 B6R1.2 CC1CCCN1 9410 [0,1,0,1,0,0|2,0,0]=4 434 B6R1.2 CC1CCCO1 10841 [0,1,0,1,0,0|1,0,0]=3 435 B6R1.2 CC1CCCS1 12832 [0,1,0,1,0,0|1,1,0]=4 436 B6R1.2 CC1CCNC1 19859 [0,1,0,1,0,0|1,0,0]=3 437 B6R1.2 C[C@@H]1CCCN1 11117 [0,1,0,1,0,0|2,0,0]=4 438 B6R1.2 C[C@@H]1CCCN1 15593 [0,1,0,1,0,0|2,0,0]=4 439 B6R1.2 C[C@H]1CCCN1 11115 [0,1,0,1,0,0|2,0,0]=4 440 B6R1.2 C[C@H]1CCCN1 15594 [0,1,0,1,0,0|2,0,0]=4 441 B6R1.2 F[C@H]1CCNC1 35776 [0,1,0,1,0,0|1,0,0]=3 442 B6R1.2 NC1CCNC1 20096 [0,1,0,1,0,0|1,0,0]=3 443 B6R1.2 NC1CCNC1 30371 [0,1,0,1,0,0|1,0,0]=3 444 B6R1.2 NC1CCNC1 9196 [0,1,0,1,0,0|1,0,0]=3 445 B6R1.2 NC1CCOC1 20203 [0,1,0,1,0,0|2,0,0]=4 446 B6R1.2 NC1CCOC1 24733 [0,1,0,1,0,0|2,0,0]=4 447 B6R1.2 N[C@@H]1CCNC1 5728 [0,1,0,1,0,0|1,0,0]=3 448 B6R1.2 N[C@@H]1CCNC1 5730 [0,1,0,1,0,0|1,0,0]=3 449 B6R1.2 N[C@@H]1CCOC1 12612 [0,1,0,1,0,0|2,0,0]=4 450 B6R1.2 N[C@@H]1CCOC1 15496 [0,1,0,1,0,0|2,0,0]=4 451 B6R1.2 N[C@H]1CCNC1 11156 [0,1,0,1,0,0|1,0,0]=3 452 B6R1.2 N[C@H]1CCNC1 5729 [0,1,0,1,0,0|1,0,0]=3 453 B6R1.2 N[C@H]1CCOC1 15126 [0,1,0,1,0,0|2,0,0]=4 454 B6R1.2 O=C1CCNC1 21931 [0,1,0,1,0,0|0,0,2]=4 455 B6R1.2 O=C1CNCN1 23395 [0,1,0,1,0,0|0,0,2]=4 456 B6R1.2 OC1=NNCC1 44776 [0,1,0,1,0,0|1,0,1]=4 457 B6R1.2 OC1CC=CC1 29044 [0,1,0,1,0,0|1,0,0]=3 458 B6R1.2 OC1CCCC1 20387 [0,1,0,1,0,0|1,0,0]=3 459 B6R1.2 OC1CCNC1 11118 [0,1,0,1,0,0|0,0,0]=2 460 B6R1.2 OC1CCNC1 17435 [0,1,0,1,0,0|0,0,0]=2 461 B6R1.2 O[C@@H]1CCNC1 7469 [0,1,0,1,0,0|0,0,0]=2 462 B6R1.2 O[C@@H]1CCOC1 11341 [0,1,0,1,0,0|1,0,0]=3 463 B6R1.2 O[C@@H]1CCOC1 7071 [0,1,0,1,0,0|1,0,0]=3 464 B6R1.2 O[C@H]1CCNC1 14064 [0,1,0,1,0,0|0,0,0]=2 465 B6R1.2 O[C@H]1CCNC1 15695 [0,1,0,1,0,0|0,0,0]=2 466 B6R1.2 O[C@H]1CCNC1 8981 [0,1,0,1,0,0|0,0,0]=2 467 B6R1.2 O[C@H]1CCOC1 16209 [0,1,0,1,0,0|1,0,0]=3 468 B6R1.3 COC[C@@H]1CO1 5856 [0,1,0,1,0,0|1,0,0]=3 469 B6R1.3 COC[C@H]1CO1 5851 [0,1,0,1,0,0|1,0,0]=3 470 B6R1.3 N#CCC1CC1 28859 [0,1,0,1,0,0|1,0,1]=4 471 B6R1.3 NCCN1CC1 14229 [0,1,0,1,0,0|2,0,0]=4 472 B6R1.3 OCCC1CC1 28819 [0,1,0,1,0,0|2,0,0]=4 473 B6R1.5 NC1CC(=O)C1 16442 [0,1,0,1,0,0|0,0,2]=4 474 B6R1.10 CC1(C)CNC1 30379 [0,1,0,1,0,0|1,0,0]=3 475 B6R1.10 CC1(N)COC1 14416 [0,1,0,1,0,0|2,0,0]=4 476 B6R1.10 CC1(N)COC1 23160 [0,1,0,1,0,0|2,0,0]=4 477 B6R1.10 FC1(F)CNC1 29370 [0,1,0,1,0,0|1,0,0]=3 478 B6R1.11 N=C(N)C1CC1 9046 [0,1,0,1,0,0|1,0,1]=4 479 B6R1.11 NC(=O)C1CC1 21401 [0,1,0,1,0,0|1,0,1]=4 480 B6R1.11 NC(=S)C1CC1 29327 [0,1,0,1,0,0|1,0,1]=4 481 B6R1.11 O=C([O-])C1CO1 26336 [0,1,0,1,0,0|1,0,1]=4 482 B6R1.6 BrCC1CCC1 23272 [0,1,0,1,0,0|2,0,0]=4 483 B6R1.6 N#CC1CCC1 25445 [0,1,0,1,0,0|2,0,0]=4 484 B6R1.6 N#CC1CNC1 20560 [0,1,0,1,0,0|1,0,0]=3 485 B6R1.6 NCC1CCC1 21304 [0,1,0,1,0,0|1,0,0]=3 486 B6R1.6 NCC1COC1 23208 [0,1,0,1,0,0|0,0,0]=2 487 B6R1.6 O=CC1CCC1 23840 [0,1,0,1,0,0|1,0,1]=4 488 B6R1.6 OCC1CCC1 23465 [0,1,0,1,0,0|1,0,0]=3 489 B6R1.6 OCC1CNC1 19094 [0,1,0,1,0,0|0,0,0]=2 490 B6R1.6 OCC1COC1 29376 [0,1,0,1,0,0|1,0,0]=3 491 B6R1.7 NC1(CO)CC1 24736 [0,1,0,1,0,0|2,0,0]=4 492 B6R1.7 NC1(CO)CC1 25828 [0,1,0,1,0,0|2,0,0]=4 493 B6R1.7 NCC1(O)CC1 23773 [0,1,0,1,0,0|0,0,0]=2