0 B5R0.2 C#CCCC#N SC-87889 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C#CCCCCl SC-46678 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 C#CCCCI SC-A2786 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 C#CCCCN SC-48603 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 C#CCCCN SC-99931 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.2 C=CCCCBr SC-47340 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.2 C=CCCCN SC-28944 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.2 C=CCCCO SC-78424 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 C=CCN=C=O SC-43729 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.2 C=CCSSC SC-87236 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.2 C=COCCO SC-22660 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.2 CC#CCC=O SC-89818 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.2 CCCCNN SC-68008 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.2 CCSCCCl SC-43710 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.2 CNCCC#N SC-15494 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.2 CNCCCO SC-94106 [0,0,0,0,0,0|1,0,2]=3 16 B5R0.2 CNCCNC SC-19090 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.2 CNCCOC SC-15056 [0,0,0,0,0,0|2,1,0]=3 18 B5R0.2 CNCCSC SC-74374 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.2 CNCCSC SC-83575 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.2 COCCC=O SC-85357 [0,0,0,0,0,0|0,1,0]=1 21 B5R0.2 COCCCBr SC-20920 [0,0,0,0,0,0|1,1,1]=3 22 B5R0.2 COCCNN SC-53129 [0,0,0,0,0,0|2,1,0]=3 23 B5R0.2 COCCNN SC-70814 [0,0,0,0,0,0|2,1,0]=3 24 B5R0.2 C\C=C\OCC SC-89361 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.2 ClCCCCBr SC-17538 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.2 FCCCCBr SC-43880 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.2 ICCCCI SC-69402 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.2 N#CCCCBr SC-20060 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.2 N#CCCCCl SC-16423 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.2 N#CCCNN SC-52269 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.2 NCCCCCl SC-14246 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.2 NCCCCN SC-20919 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.2 NCCCCO SC-48186 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.2 O=C=NCCBr SC-82407 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.2 O=C=NCCCl SC-13627 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.2 O=CCCC=O SC-13455 [0,0,0,0,0,0|2,0,0]=2 37 B5R0.2 O=CCCCBr SC-69595 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.2 OCCCCBr SC-12645 [0,0,0,0,0,0|2,0,2]=4 39 B5R0.2 OCCCCCl SC-23109 [0,0,0,0,0,0|2,0,2]=4 40 B4R0.2 BrCCCBr SC-79111 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 C#CCCBr SC-52138 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 C#CCCN SC-49547 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.2 C#CCCO SC-17773 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.2 C#CCNC SC-87202 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.2 C=CCCCl SC-90795 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.2 C=CCCN SC-48242 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 C=CCCN SC-52106 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.2 C=CCCO SC-45284 [1,0,0,0,0,0|1,1,0]=3 49 B4R0.2 C=CCNC SC-05902 [1,0,0,0,0,0|1,0,1]=3 50 B4R0.2 C=CCON SC-96333 [1,0,0,0,0,0|1,1,1]=4 51 B4R0.2 C=CCSC SC-47211 [1,0,0,0,0,0|0,0,1]=2 52 B4R0.2 CC#CCBr SC-13862 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.2 CC#CCO SC-17951 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.2 CCCNC SC-27548 [1,0,0,0,0,0|1,0,1]=3 55 B4R0.2 CCN=C=O SC-11793 [1,0,0,0,0,0|1,0,1]=3 56 B4R0.2 CCN=C=S SC-46927 [1,0,0,0,0,0|1,1,1]=4 57 B4R0.2 CCOCC SC-73354 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.2 CNCC#N SC-13788 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.2 CNCCBr SC-98001 [1,0,0,0,0,0|2,0,0]=3 60 B4R0.2 COCC=O SC-48883 [1,0,0,0,0,0|0,1,0]=2 61 B4R0.2 COCCCl SC-05903 [1,0,0,0,0,0|1,1,0]=3 62 B4R0.2 COCCN SC-22236 [1,0,0,0,0,0|1,1,0]=3 63 B4R0.2 CSCCCl SC-53991 [1,0,0,0,0,0|1,0,0]=2 64 B4R0.2 CSCCN SC-28443 [1,0,0,0,0,0|1,0,0]=2 65 B4R0.2 CSCCN SC-83550 [1,0,0,0,0,0|1,0,0]=2 66 B4R0.2 CSCCO SC-19276 [1,0,0,0,0,0|0,0,1]=2 67 B4R0.2 C\C=C/CO SC-69832 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.2 C\C=C\CCl SC-22573 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.2 C\C=C\CO SC-25521 [1,0,0,0,0,0|1,0,2]=4 70 B4R0.2 C\C=C\CO SC-69597 [1,0,0,0,0,0|1,0,2]=4 71 B4R0.2 C\C=C\OC SC-97407 [1,0,0,0,0,0|1,1,1]=4 72 B4R0.2 ClCCCI SC-73683 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.2 Cl\C=C\CCl SC-17396 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 FCCCBr SC-49851 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 FCCCI SC-84350 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 ICCCI SC-89448 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.2 N#CCCBr SC-46247 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 NCCCBr SC-39593 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 NCCCBr SC-48386 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.2 NCCCCl SC-15218 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.2 NCCCO SC-16407 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.2 NCCCS SC-52748 [1,0,0,0,0,0|1,0,1]=3 83 B4R0.2 NNCCO SC-15469 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.2 NOCCO SC-41192 [1,0,0,0,0,0|1,1,1]=4 85 B4R0.2 O=CCCCl SC-71322 [1,0,0,0,0,0|1,0,0]=2 86 B4R0.2 O=CCCO SC-52939 [1,0,0,0,0,0|0,1,0]=2 87 B4R0.2 O=C[N-]C=O SC-93635 [1,0,0,0,0,0|1,1,1]=4 88 B4R0.2 OCCCBr SC-13514 [1,0,0,0,0,0|1,0,2]=4 89 B4R0.2 OCCCCl SC-15525 [1,0,0,0,0,0|1,0,2]=4 90 B4R0.2 OCCCF SC-24862 [1,0,0,0,0,0|1,0,2]=4 91 B4R0.2 OCCCI SC-65803 [1,0,0,0,0,0|1,0,2]=4 92 B4R0.2 OCCCO SC-25736 [1,0,0,0,0,0|0,1,2]=4 93 B4R0.2 SCCCS SC-17571 [1,0,0,0,0,0|0,1,1]=3 94 B6R0.1 C=CCC(=O)OC SC-48829 [0,1,0,0,0,0|1,1,1]=4 95 B6R0.1 CC[C@@H](N)COC SC-65714 [0,1,0,0,0,0|1,1,1]=4 96 B6R0.1 CC[C@H](N)COC SC-89974 [0,1,0,0,0,0|1,1,1]=4 97 B6R0.1 COC(=O)CC=O SC-53143 [0,1,0,0,0,0|0,1,1]=3 98 B6R0.1 COC(=O)CSC SC-20536 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.4 C#CCOC(=O)Cl SC-71217 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.4 C=C(C)CNCC SC-47240 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.4 C=CCCC(=O)O SC-25836 [0,1,0,0,0,0|1,0,1]=3 102 B6R0.4 C=CCOC(=O)Cl SC-18715 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.4 C=CNCC(=O)O SC-20808 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.4 CC(=O)CCCBr SC-91341 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.4 CC(=O)NCCN SC-19651 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.4 CCCCC(=O)Cl SC-46867 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.4 CC\C=C\C(=O)O SC-92876 [0,1,0,0,0,0|1,0,2]=4 108 B6R0.4 CN(C)CCC=O SC-12823 [0,1,0,0,0,0|1,0,0]=2 109 B6R0.4 CN(C)CCCBr SC-12824 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.4 CN(C)CCCBr SC-48972 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.4 CN(C)CCCCl SC-18516 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.4 CN(C)CCCCl SC-53120 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.4 CNCCC(=O)O SC-27492 [0,1,0,0,0,0|1,0,0]=2 114 B6R0.4 CNCCC(=O)O SC-52914 [0,1,0,0,0,0|1,0,0]=2 115 B6R0.4 CNCCN(C)C SC-29103 [0,1,0,0,0,0|3,0,0]=4 116 B6R0.4 COCCC(=O)O SC-50255 [0,1,0,0,0,0|0,1,0]=2 117 B6R0.4 COCCN(C)C SC-21743 [0,1,0,0,0,0|2,1,0]=4 118 B6R0.4 CO\C=C\C(C)=O SC-71024 [0,1,0,0,0,0|0,1,2]=4 119 B6R0.4 CSCCC(=O)O SC-96567 [0,1,0,0,0,0|0,0,0]=1 120 B6R0.4 NCCCC(=O)O SC-10045 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.4 O=C(Cl)CCCBr SC-70369 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.4 O=C(O)CCCCl SC-89723 [0,1,0,0,0,0|2,0,0]=3 123 B6R0.6 BrCCCCCBr SC-00350 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.6 C#CCCCCN SC-A3767 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.6 C#CCCCCO SC-87514 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.6 C=CCCCCBr SC-27023 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.6 C=COCCON SC-93636 [0,1,0,0,0,0|2,1,0]=4 128 B6R0.6 CCCCCNC SC-25672 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.6 CCCCON=O SC-70750 [0,1,0,0,0,0|2,0,0]=3 130 B6R0.6 CCC\C=C\C=O SC-25240 [0,1,0,0,0,0|1,0,1]=3 131 B6R0.6 CCOCCCO SC-00354 [0,1,0,0,0,0|0,1,2]=4 132 B6R0.6 CNCCCCO SC-13108 [0,1,0,0,0,0|1,0,2]=4 133 B6R0.6 CNCCCNC SC-47576 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.6 CNCCCOC SC-51293 [0,1,0,0,0,0|1,0,2]=4 135 B6R0.6 COCCCCCl SC-01876 [0,1,0,0,0,0|1,1,1]=4 136 B6R0.6 COCCCOC SC-47077 [0,1,0,0,0,0|0,1,2]=4 137 B6R0.6 COCCN=C=O SC-72245 [0,1,0,0,0,0|0,1,1]=3 138 B6R0.6 COCCOCCl SC-75748 [0,1,0,0,0,0|1,1,1]=4 139 B6R0.6 COCOCOC SC-73621 [0,1,0,0,0,0|2,1,0]=4 140 B6R0.6 C\C=C\CCCO SC-48265 [0,1,0,0,0,0|1,0,2]=4 141 B6R0.6 FCCCCCBr SC-45318 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.6 ICCCCCI SC-82357 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.6 N#CCCCCCl SC-16304 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.6 NCCCCCN SC-35536 [0,1,0,0,0,0|2,0,1]=4 145 B6R0.6 NCCCCCO SC-20467 [0,1,0,0,0,0|1,0,2]=4 146 B6R0.6 O=CCCCCCl SC-A3300 [0,1,0,0,0,0|1,0,0]=2 147 B6R0.6 OCCCCCBr SC-43699 [0,1,0,0,0,0|1,0,2]=4 148 B6R0.6 OCCCCCO SC-69222 [0,1,0,0,0,0|1,0,2]=4 149 B6R1.1 C1=CCCC=C1 SC-50457 [0,0,0,1,0,0|2,0,1]=4 150 B6R1.1 C1=CCNCC1 SC-83515 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.1 C1=COCCC1 SC-00342 [0,0,0,1,0,0|1,0,2]=4 152 B6R1.1 C1CCNCC1 SC-05687 [0,0,0,1,0,0|2,0,1]=4 153 B6R1.1 C1CCNNC1 SC-84334 [0,0,0,1,0,0|3,0,0]=4 154 B6R1.1 C1CCONC1 SC-82296 [0,0,0,1,0,0|2,0,1]=4 155 B6R1.1 C1CC[NH2+]CC1 SC-48018 [0,0,0,1,0,0|2,0,1]=4 156 B6R1.1 C1CNCCN1 SC-94121 [0,0,0,1,0,0|3,0,0]=4 157 B6R1.1 C1CNCNC1 SC-72269 [0,0,0,1,0,0|2,0,1]=4 158 B6R1.1 C1COCCN1 SC-19184 [0,0,0,1,0,0|2,1,0]=4 159 B6R1.1 C1CSCSC1 SC-46192 [0,0,0,1,0,0|0,1,1]=3 160 B6R1.2 BrC1CCNC1 SC-24702 [0,0,0,1,0,0|2,0,1]=4 161 B6R1.2 BrC1CCOC1 SC-49709 [0,0,0,1,0,0|1,1,1]=4 162 B6R1.2 CC1=CCCC1 SC-46849 [0,0,0,1,0,0|2,0,1]=4 163 B6R1.2 CC1=NCCC1 SC-07079 [0,0,0,1,0,0|2,0,1]=4 164 B6R1.2 CC1CCCN1 SC-89376 [0,0,0,1,0,0|2,0,1]=4 165 B6R1.2 CC1CCCN1 SC-A3822 [0,0,0,1,0,0|2,0,1]=4 166 B6R1.2 CC1CCNC1 SC-24125 [0,0,0,1,0,0|2,0,1]=4 167 B6R1.2 CC1CCNC1 SC-49333 [0,0,0,1,0,0|2,0,1]=4 168 B6R1.2 CN1CCCC1 SC-19022 [0,0,0,1,0,0|2,0,1]=4 169 B6R1.2 C[C@@H]1CCNC1 SC-23714 [0,0,0,1,0,0|2,0,1]=4 170 B6R1.2 C[C@@H]1CCNC1 SC-50232 [0,0,0,1,0,0|2,0,1]=4 171 B6R1.2 C[C@H]1CCCN1 SC-95860 [0,0,0,1,0,0|2,0,1]=4 172 B6R1.2 C[C@H]1CCNC1 SC-50233 [0,0,0,1,0,0|2,0,1]=4 173 B6R1.2 FC1CCCC1 SC-09548 [0,0,0,1,0,0|2,0,1]=4 174 B6R1.2 FC1CCNC1 SC-28940 [0,0,0,1,0,0|2,0,1]=4 175 B6R1.2 F[C@H]1CCNC1 SC-43922 [0,0,0,1,0,0|2,0,1]=4 176 B6R1.2 NC1=NCCC1 SC-68430 [0,0,0,1,0,0|3,0,0]=4 177 B6R1.2 NC1CCCC1 SC-84758 [0,0,0,1,0,0|2,0,1]=4 178 B6R1.2 NC1CCNC1 SC-18208 [0,0,0,1,0,0|2,0,1]=4 179 B6R1.2 NC1CCNC1 SC-62350 [0,0,0,1,0,0|2,0,1]=4 180 B6R1.2 NC1CCOC1 SC-12746 [0,0,0,1,0,0|1,1,1]=4 181 B6R1.2 NC1CCOC1 SC-35465 [0,0,0,1,0,0|1,1,1]=4 182 B6R1.2 NN1CCCC1 SC-01559 [0,0,0,1,0,0|3,0,0]=4 183 B6R1.2 NN1CCCC1 SC-65336 [0,0,0,1,0,0|3,0,0]=4 184 B6R1.2 N[C@@H]1CCOC1 SC-14942 [0,0,0,1,0,0|1,1,1]=4 185 B6R1.2 N[C@@H]1CCOC1 SC-26567 [0,0,0,1,0,0|1,1,1]=4 186 B6R1.2 N[C@H]1CCOC1 SC-14943 [0,0,0,1,0,0|1,1,1]=4 187 B6R1.2 O=C1C=CCC1 SC-07348 [0,0,0,1,0,0|1,0,1]=3 188 B6R1.2 O=C1C=CCN1 SC-67116 [0,0,0,1,0,0|2,0,1]=4 189 B6R1.2 O=C1C=CCO1 SC-50260 [0,0,0,1,0,0|2,0,1]=4 190 B6R1.2 O=C1C=CSN1 SC-14961 [0,0,0,1,0,0|1,0,2]=4 191 B6R1.2 O=C1CC=NN1 SC-89969 [0,0,0,1,0,0|2,0,1]=4 192 B6R1.2 O=C1CCCN1 SC-85210 [0,0,0,1,0,0|2,0,0]=3 193 B6R1.2 O=C1CCNC1 SC-24328 [0,0,0,1,0,0|1,0,0]=2 194 B6R1.2 O=C1CCNC1 SC-50749 [0,0,0,1,0,0|1,0,0]=2 195 B6R1.2 O=C1CCNN1 SC-21405 [0,0,0,1,0,0|2,0,0]=3 196 B6R1.2 O=C1CCOC1 SC-21867 [0,0,0,1,0,0|0,1,0]=2 197 B6R1.2 O=C1NCCO1 SC-04833 [0,0,0,1,0,0|3,0,0]=4 198 B6R1.2 O=C1NCCS1 SC-27050 [0,0,0,1,0,0|3,0,0]=4 199 B6R1.2 OC1=NNCC1 SC-23225 [0,0,0,1,0,0|2,0,1]=4 200 B6R1.2 OC1CCNC1 SC-00623 [0,0,0,1,0,0|1,0,2]=4 201 B6R1.2 OC1CCNC1 SC-19629 [0,0,0,1,0,0|1,0,2]=4 202 B6R1.2 OC1CCNC1 SC-24957 [0,0,0,1,0,0|1,0,2]=4 203 B6R1.2 OC1CCNC1 SC-27708 [0,0,0,1,0,0|1,0,2]=4 204 B6R1.2 OC1CCOC1 SC-17875 [0,0,0,1,0,0|0,1,2]=4 205 B6R1.2 O[C@@H]1CCNC1 SC-00194 [0,0,0,1,0,0|1,0,2]=4 206 B6R1.2 O[C@@H]1CCNC1 SC-13984 [0,0,0,1,0,0|1,0,2]=4 207 B6R1.2 O[C@@H]1CCOC1 SC-07022 [0,0,0,1,0,0|0,1,2]=4 208 B6R1.2 O[C@H]1CCOC1 SC-08982 [0,0,0,1,0,0|0,1,2]=4 209 B6R1.2 O[C@H]1CCOC1 SC-50082 [0,0,0,1,0,0|0,1,2]=4 210 B6R1.2 [C@@H]1(C)CCCN1 SC-48604 [0,0,0,1,0,0|2,0,1]=4 211 B6R1.2 [C@H]1(O)CCNC1 SC-24229 [0,0,0,1,0,0|1,0,2]=4 212 B6R1.3 BrCCC1CC1 SC-52079 [0,0,0,1,0,0|2,0,1]=4 213 B6R1.3 BrCCC1CO1 SC-20894 [0,0,0,1,0,0|1,1,1]=4 214 B6R1.3 CNCC1CC1 SC-47993 [0,0,0,1,0,0|2,0,1]=4 215 B6R1.3 COC[C@@H]1CO1 SC-09011 [0,0,0,1,0,0|0,1,2]=4 216 B6R1.3 COC[C@H]1CO1 SC-06042 [0,0,0,1,0,0|0,1,2]=4 217 B6R1.3 CSCC1CO1 SC-50532 [0,0,0,1,0,0|0,0,2]=3 218 B6R1.3 ICCC1CC1 SC-B7584 [0,0,0,1,0,0|2,0,1]=4 219 B6R1.3 N#CCC1CC1 SC-25467 [0,0,0,1,0,0|2,0,1]=4 220 B6R1.3 NCCC1CC1 SC-14247 [0,0,0,1,0,0|2,0,1]=4 221 B6R1.3 NCCC1CC1 SC-99606 [0,0,0,1,0,0|2,0,1]=4 222 B6R1.3 NNCC1CC1 SC-67047 [0,0,0,1,0,0|3,0,0]=4 223 B6R1.3 NOCC1CC1 SC-14038 [0,0,0,1,0,0|3,0,0]=4 224 B6R1.3 O=C=NC1CC1 SC-49054 [0,0,0,1,0,0|2,0,1]=4 225 B6R1.3 OCCC1CC1 SC-48582 [0,0,0,1,0,0|1,0,2]=4 226 B6R1.3 OCCC1CC1 SC-48583 [0,0,0,1,0,0|1,0,2]=4 227 B6R1.6 BrCC1CCC1 SC-17177 [0,0,0,1,0,0|2,0,1]=4 228 B6R1.6 BrCC1COC1 SC-88668 [0,0,0,1,0,0|1,1,1]=4 229 B6R1.6 CNC1CCC1 SC-48003 [0,0,0,1,0,0|2,0,1]=4 230 B6R1.6 CNC1CNC1 SC-92061 [0,0,0,1,0,0|3,0,0]=4 231 B6R1.6 COC1CNC1 SC-13154 [0,0,0,1,0,0|2,1,0]=4 232 B6R1.6 ICC1CCC1 SC-B3939 [0,0,0,1,0,0|2,0,1]=4 233 B6R1.6 ICC1COC1 SC-52174 [0,0,0,1,0,0|1,1,1]=4 234 B6R1.6 N#CC1CCC1 SC-43622 [0,0,0,1,0,0|2,0,1]=4 235 B6R1.6 NCC1CCC1 SC-12470 [0,0,0,1,0,0|2,0,1]=4 236 B6R1.6 NCC1CCC1 SC-22241 [0,0,0,1,0,0|2,0,1]=4 237 B6R1.6 NCC1CCC1 SC-A4294 [0,0,0,1,0,0|2,0,1]=4 238 B6R1.6 NCC1COC1 SC-48246 [0,0,0,1,0,0|1,1,1]=4 239 B6R1.6 NNC1CCC1 SC-12374 [0,0,0,1,0,0|3,0,0]=4 240 B6R1.6 NNC1CCC1 SC-12770 [0,0,0,1,0,0|3,0,0]=4 241 B6R1.6 NNC1CCC1 SC-72265 [0,0,0,1,0,0|3,0,0]=4 242 B6R1.6 O=CC1CCC1 SC-14218 [0,0,0,1,0,0|1,0,0]=2 243 B6R1.6 O=CC1COC1 SC-65750 [0,0,0,1,0,0|0,1,0]=2 244 B6R1.6 OCC1CCC1 SC-16736 [0,0,0,1,0,0|1,0,2]=4 245 B6R1.6 OCC1CNC1 SC-12744 [0,0,0,1,0,0|1,0,2]=4 246 B6R1.6 OCC1CNC1 SC-49233 [0,0,0,1,0,0|1,0,2]=4 247 B6R1.6 OCC1COC1 SC-48581 [0,0,0,1,0,0|0,1,2]=4 248 B3R0.1 C=CCN SC-13610 [2,0,0,0,0,0|1,0,1]=4 249 B3R0.1 C=C[CH-]C SC-90438 [2,0,0,0,0,0|0,0,2]=4 250 B3R0.1 CCC[Zn+] SC-92929 [2,0,0,0,0,0|1,0,0]=3 251 B3R0.1 CCNN SC-47438 [2,0,0,0,0,0|2,0,0]=4 252 B3R0.1 CCNN SC-88458 [2,0,0,0,0,0|2,0,0]=4 253 B3R0.1 CCNO SC-82856 [2,0,0,0,0,0|1,0,1]=4 254 B3R0.1 CCO[NH3+] SC-76549 [2,0,0,0,0,0|1,1,0]=4 255 B3R0.1 CNNC SC-92981 [2,0,0,0,0,0|2,0,0]=4 256 B3R0.1 CNOC SC-17494 [2,0,0,0,0,0|1,1,0]=4 257 B3R0.1 CNOC SC-74340 [2,0,0,0,0,0|1,1,0]=4 258 B3R0.1 COCBr SC-13660 [2,0,0,0,0,0|1,1,0]=4 259 B3R0.1 C\C=C\Br SC-50117 [2,0,0,0,0,0|1,0,1]=4 260 B3R0.1 ClCCBr SC-16459 [2,0,0,0,0,0|2,0,0]=4 261 B3R0.1 ClCCI SC-93145 [2,0,0,0,0,0|2,0,0]=4 262 B3R0.1 FCCBr SC-16577 [2,0,0,0,0,0|2,0,0]=4 263 B3R0.1 NCCBr SC-11569 [2,0,0,0,0,0|2,0,0]=4 264 B3R0.1 NCCCl SC-15450 [2,0,0,0,0,0|2,0,0]=4 265 B3R0.1 NCCCl SC-40145 [2,0,0,0,0,0|2,0,0]=4 266 B3R0.1 NCCF SC-66629 [2,0,0,0,0,0|2,0,0]=4 267 B3R0.1 NCCF SC-89351 [2,0,0,0,0,0|2,0,0]=4 268 B3R0.1 NNC=O SC-22540 [2,0,0,0,0,0|2,0,0]=4 269 B3R0.1 OCCBr SC-26949 [2,0,0,0,0,0|1,0,1]=4 270 B3R0.1 OCCF SC-22570 [2,0,0,0,0,0|1,0,1]=4 271 B3R0.1 OCCI SC-46883 [2,0,0,0,0,0|1,0,1]=4 272 B3R0.1 OCCO SC-A3578 [2,0,0,0,0,0|0,1,1]=4 273 B3R0.1 SCCS SC-27058 [2,0,0,0,0,0|0,1,0]=3 274 B5R0.1 C#CCC(=O)O SC-40344 [1,1,0,0,0,0|0,0,2]=4 275 B5R0.1 C=C(C)CCBr SC-26305 [1,1,0,0,0,0|2,0,0]=4 276 B5R0.1 C=C(C)OCC SC-18086 [1,1,0,0,0,0|2,0,0]=4 277 B5R0.1 C=CCC(=O)O SC-49093 [1,1,0,0,0,0|0,0,2]=4 278 B5R0.1 CC#CC(=O)O SC-76460 [1,1,0,0,0,0|0,0,2]=4 279 B5R0.1 CC(=O)CC#N SC-26510 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.1 CC(=O)CCCl SC-21586 [1,1,0,0,0,0|1,0,0]=3 281 B5R0.1 CC(=O)CCO SC-65678 [1,1,0,0,0,0|0,1,0]=3 282 B5R0.1 CC(=O)OCBr SC-44237 [1,1,0,0,0,0|2,0,0]=4 283 B5R0.1 CC(C)=CC=O SC-00290 [1,1,0,0,0,0|0,0,2]=4 284 B5R0.1 CC(N)CCO SC-82589 [1,1,0,0,0,0|0,0,2]=4 285 B5R0.1 CCCB(O)O SC-47544 [1,1,0,0,0,0|1,0,1]=4 286 B5R0.1 CCCC(=N)N SC-19347 [1,1,0,0,0,0|1,0,0]=3 287 B5R0.1 CCCC(=O)Cl SC-18924 [1,1,0,0,0,0|0,0,0]=2 288 B5R0.1 CCCC(=O)[O-] SC-15718 [1,1,0,0,0,0|0,0,0]=2 289 B5R0.1 CCCC(C)N SC-53929 [1,1,0,0,0,0|1,0,1]=4 290 B5R0.1 CCCC(C)O SC-03320 [1,1,0,0,0,0|0,0,2]=4 291 B5R0.1 CCCC(N)=O SC-46377 [1,1,0,0,0,0|0,0,0]=2 292 B5R0.1 CCN=C(N)N SC-15057 [1,1,0,0,0,0|2,0,0]=4 293 B5R0.1 CCOC(=S)[S-] SC-62877 [1,1,0,0,0,0|1,1,0]=4 294 B5R0.1 CCOC(C)=N SC-02547 [1,1,0,0,0,0|2,0,0]=4 295 B5R0.1 CCOC(C)=N SC-A3540 [1,1,0,0,0,0|2,0,0]=4 296 B5R0.1 CCOC(N)=O SC-16133 [1,1,0,0,0,0|1,0,0]=3 297 B5R0.1 CCSC(=N)N SC-20585 [1,1,0,0,0,0|2,0,0]=4 298 B5R0.1 CCSC(=N)N SC-53442 [1,1,0,0,0,0|2,0,0]=4 299 B5R0.1 CN(C)CC=O SC-51643 [1,1,0,0,0,0|1,0,0]=3 300 B5R0.1 CN(C)CCBr SC-21756 [1,1,0,0,0,0|2,0,0]=4 301 B5R0.1 CN(C)CCBr SC-27529 [1,1,0,0,0,0|2,0,0]=4 302 B5R0.1 CN(C)CCCl SC-18600 [1,1,0,0,0,0|2,0,0]=4 303 B5R0.1 CN(C)CCCl SC-47184 [1,1,0,0,0,0|2,0,0]=4 304 B5R0.1 CN(C)CCO SC-87330 [1,1,0,0,0,0|1,0,1]=4 305 B5R0.1 CNCC(=O)O SC-10425 [1,1,0,0,0,0|1,0,0]=3 306 B5R0.1 CNCC(F)F SC-34374 [1,1,0,0,0,0|2,0,0]=4 307 B5R0.1 CNCC(N)=O SC-10429 [1,1,0,0,0,0|1,0,0]=3 308 B5R0.1 COCC(=N)N SC-41213 [1,1,0,0,0,0|1,1,0]=4 309 B5R0.1 COCC(=N)N SC-73218 [1,1,0,0,0,0|1,1,0]=4 310 B5R0.1 COCC(=O)Cl SC-27381 [1,1,0,0,0,0|0,1,0]=3 311 B5R0.1 COCC(C)N SC-48787 [1,1,0,0,0,0|0,1,1]=4 312 B5R0.1 COCC(C)O SC-00293 [1,1,0,0,0,0|0,1,1]=4 313 B5R0.1 COC[C@@H](C)N SC-47724 [1,1,0,0,0,0|0,1,1]=4 314 B5R0.1 COC[C@@H](C)O SC-04836 [1,1,0,0,0,0|0,1,1]=4 315 B5R0.1 CS(=O)CCN SC-89327 [1,1,0,0,0,0|1,0,1]=4 316 B5R0.1 CSCS(C)=O SC-87090 [1,1,0,0,0,0|1,0,0]=3 317 B5R0.1 CSNC(C)=O SC-28667 [1,1,0,0,0,0|1,0,0]=3 318 B5R0.1 C[C@@H](N)CCO SC-48293 [1,1,0,0,0,0|0,0,2]=4 319 B5R0.1 C[C@@H](O)CCO SC-05919 [1,1,0,0,0,0|0,0,2]=4 320 B5R0.1 C[C@H](O)CCO SC-02840 [1,1,0,0,0,0|0,0,2]=4 321 B5R0.1 C\C=C/C(=O)O SC-25924 [1,1,0,0,0,0|0,0,2]=4 322 B5R0.1 C\C=C/C(C)=O SC-48085 [1,1,0,0,0,0|0,0,2]=4 323 B5R0.1 C\C=C\C(=O)Cl SC-16256 [1,1,0,0,0,0|0,0,2]=4 324 B5R0.1 N#CCC(=O)O SC-18648 [1,1,0,0,0,0|1,0,1]=4 325 B5R0.1 N#CCC(N)=O SC-26759 [1,1,0,0,0,0|1,0,1]=4 326 B5R0.1 NCCC(=O)O SC-10014 [1,1,0,0,0,0|1,0,0]=3 327 B5R0.1 NCCC(N)=O SC-48688 [1,1,0,0,0,0|1,0,0]=3 328 B5R0.1 NCCC(N)=O SC-84499 [1,1,0,0,0,0|1,0,0]=3 329 B5R0.1 O=C(Cl)CCCl SC-16310 [1,1,0,0,0,0|1,0,0]=3 330 B5R0.1 O=C(O)CCBr SC-18441 [1,1,0,0,0,0|1,0,0]=3 331 B5R0.1 O=C(O)CCS SC-22642 [1,1,0,0,0,0|0,0,0]=2 332 B5R0.3 C#CC(O)CC SC-68723 [1,1,0,0,0,0|1,0,1]=4 333 B5R0.3 C=CC(Cl)CCl SC-A3373 [1,1,0,0,0,0|2,0,0]=4 334 B5R0.3 C=CC(O)CC SC-93539 [1,1,0,0,0,0|1,0,0]=3 335 B5R0.3 C=C[C@H](N)CO SC-88199 [1,1,0,0,0,0|1,1,0]=4 336 B5R0.3 CCC(C)CO SC-08990 [1,1,0,0,0,0|0,0,2]=4 337 B5R0.3 CCC(N)CC SC-81736 [1,1,0,0,0,0|1,0,1]=4 338 B5R0.3 CCC(N)CO SC-21072 [1,1,0,0,0,0|0,0,2]=4 339 B5R0.3 CCC(O)CC SC-62307 [1,1,0,0,0,0|1,0,1]=4 340 B5R0.3 COC(C)CN SC-A4864 [1,1,0,0,0,0|1,1,0]=4 341 B5R0.3 CO[C@H](C)CO SC-71357 [1,1,0,0,0,0|0,1,1]=4 342 B5R0.3 O=CC(Br)C=O SC-24696 [1,1,0,0,0,0|0,1,1]=4 343 B5R0.3 O=CC(Cl)C=O SC-43728 [1,1,0,0,0,0|0,1,1]=4 344 B5R0.3 O=CC(O)CO SC-04830 [1,1,0,0,0,0|0,1,0]=3 345 B5R0.3 [C@H](N)(CC)CO SC-08958 [1,1,0,0,0,0|0,0,2]=4 346 B7R0.2 CCC(C)CC(=O)O SC-19132 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.2 CCC(N)CC(=O)O SC-59260 [0,2,0,0,0,0|1,0,0]=3 348 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,2,0,0,0,0|1,0,0]=3 349 B7R0.2 COC(=O)CC(=O)Cl SC-16087 [0,2,0,0,0,0|0,1,1]=4 350 B7R0.2 COC(=O)CC(=O)O SC-21351 [0,2,0,0,0,0|0,1,1]=4 351 B7R0.2 NCC(O)CC(=O)O SC-50844 [0,2,0,0,0,0|2,0,0]=4 352 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [0,2,0,0,0,0|2,0,0]=4 353 B7R0.3 C#CCCC(=O)OC SC-92252 [0,2,0,0,0,0|1,0,1]=4 354 B7R0.3 CCCCC(=N)OC SC-91480 [0,2,0,0,0,0|1,0,1]=4 355 B7R0.3 CCSCC(C)NN SC-14211 [0,2,0,0,0,0|2,0,0]=4 356 B7R0.3 COC(=O)CCC=O SC-47529 [0,2,0,0,0,0|0,1,0]=3 357 B7R0.3 COC(=O)CCCCl SC-15079 [0,2,0,0,0,0|2,0,0]=4 358 B7R0.3 COCCC(=O)OC SC-46379 [0,2,0,0,0,0|0,1,0]=3 359 B7R0.3 CSCCC(O)C#N SC-A3341 [0,2,0,0,0,0|0,0,2]=4 360 B7R0.3 [C-]#[N+]CCC(=O)OC SC-88998 [0,2,0,0,0,0|1,0,1]=4 361 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [0,2,0,0,0,0|1,0,1]=4 362 B7R0.5 C=CCC(N)C(=O)O SC-10030 [0,2,0,0,0,0|1,0,1]=4 363 B7R0.5 C=CCC(N)C(=O)O SC-10031 [0,2,0,0,0,0|1,0,1]=4 364 B7R0.5 C=CCC(N)C(=O)O SC-10032 [0,2,0,0,0,0|1,0,1]=4 365 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [0,2,0,0,0,0|1,0,1]=4 366 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [0,2,0,0,0,0|1,0,1]=4 367 B7R0.5 CCCC(Br)C(=O)O SC-27020 [0,2,0,0,0,0|1,0,0]=3 368 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [0,2,0,0,0,0|1,0,0]=3 369 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [0,2,0,0,0,0|0,1,0]=3 370 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [0,2,0,0,0,0|0,1,0]=3 371 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [0,2,0,0,0,0|0,1,0]=3 372 B7R0.5 NC(CCO)C(=O)O SC-10290 [0,2,0,0,0,0|2,0,0]=4 373 B7R0.5 NCCC(N)C(=O)O SC-10146 [0,2,0,0,0,0|2,0,0]=4 374 B7R0.5 NCCC(N)C(=O)O SC-20723 [0,2,0,0,0,0|2,0,0]=4 375 B7R0.5 NCCC(N)C(=O)O SC-23452 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.5 NCCC(N)C(=O)O SC-25055 [0,2,0,0,0,0|2,0,0]=4 377 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [0,2,0,0,0,0|2,0,0]=4 378 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [0,2,0,0,0,0|2,0,0]=4 379 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [0,2,0,0,0,0|2,0,0]=4 380 B7R0.7 CCOC(=O)CC=O SC-14726 [0,2,0,0,0,0|0,1,1]=4 381 B7R0.10 COC(=O)C(Cl)C=O SC-53173 [0,2,0,0,0,0|0,1,1]=4 382 B7R0.10 O=CC(O)C(O)C=O SC-74089 [0,2,0,0,0,0|2,0,0]=4 383 B7R0.4 C#CCCCC(=O)O SC-73017 [0,2,0,0,0,0|1,0,1]=4 384 B7R0.4 C#CCNCC(=O)O SC-10418 [0,2,0,0,0,0|1,0,1]=4 385 B7R0.4 C#CCNCC(=O)O SC-10419 [0,2,0,0,0,0|1,0,1]=4 386 B7R0.4 C#CCNCC(=O)O SC-65650 [0,2,0,0,0,0|1,0,1]=4 387 B7R0.4 C=CCNCC(=O)O SC-74362 [0,2,0,0,0,0|1,0,1]=4 388 B7R0.4 C=CCOCC(=O)O SC-49027 [0,2,0,0,0,0|1,0,1]=4 389 B7R0.4 CC(C)CCON=O SC-22768 [0,2,0,0,0,0|2,0,0]=4 390 B7R0.4 CCCC#CC(=O)O SC-96568 [0,2,0,0,0,0|1,0,1]=4 391 B7R0.4 CCCNCC(=O)O SC-97541 [0,2,0,0,0,0|1,0,0]=3 392 B7R0.4 CCCSCC(=O)O SC-45283 [0,2,0,0,0,0|1,0,0]=3 393 B7R0.4 CCC\C=C\C(C)=O SC-49007 [0,2,0,0,0,0|1,0,1]=4 394 B7R0.4 CNCCCC(=O)O SC-49793 [0,2,0,0,0,0|1,0,0]=3 395 B7R0.4 CNCCCC(=O)O SC-A2900 [0,2,0,0,0,0|1,0,0]=3 396 B7R0.4 COCCCC(=O)O SC-51378 [0,2,0,0,0,0|0,1,0]=3 397 B7R0.4 COCCNC(N)=O SC-62189 [0,2,0,0,0,0|0,1,0]=3 398 B7R0.4 C\C=C\CCC(=O)O SC-21245 [0,2,0,0,0,0|1,0,0]=3 399 B7R0.4 NC(=O)CCCCBr SC-98143 [0,2,0,0,0,0|1,0,0]=3 400 B7R0.4 NCCCCC(=O)O SC-10120 [0,2,0,0,0,0|1,0,0]=3 401 B7R0.4 NCCCCC(=O)O SC-92391 [0,2,0,0,0,0|1,0,0]=3 402 B7R0.4 NCCCCC(N)=O SC-94858 [0,2,0,0,0,0|1,0,0]=3 403 B7R0.4 NCCCCC(N)=O SC-A4262 [0,2,0,0,0,0|1,0,0]=3 404 B7R0.4 NCCNCC(=O)O SC-21750 [0,2,0,0,0,0|2,0,0]=4 405 B7R0.4 O=C(Cl)CCCCBr SC-13447 [0,2,0,0,0,0|1,0,0]=3 406 B7R0.4 O=C(Cl)CCCCCl SC-16009 [0,2,0,0,0,0|1,0,0]=3 407 B7R0.4 O=C(O)CCCCBr SC-02338 [0,2,0,0,0,0|1,0,0]=3 408 B7R0.4 O=C([O-])COCCO SC-A2671 [0,2,0,0,0,0|2,0,0]=4 409 B7R0.6 CC(=O)OCC(C)C SC-25600 [0,2,0,0,0,0|2,0,0]=4 410 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,2,0,0,0,0|1,0,0]=3 411 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [0,2,0,0,0,0|2,0,0]=4 412 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,2,0,0,0,0|1,0,0]=3 414 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,2,0,0,0,0|1,0,0]=3 415 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,2,0,0,0,0|1,0,0]=3 416 B7R0.6 CN(C)CCC(N)=O SC-89196 [0,2,0,0,0,0|1,0,0]=3 417 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,2,0,0,0,0|2,0,0]=4 418 B7R0.6 N=C(N)CCC(N)=O SC-97509 [0,2,0,0,0,0|2,0,0]=4 419 B7R0.6 O=C(O)CCC(=O)O SC-47173 [0,2,0,0,0,0|2,0,0]=4 420 B7R0.8 CNCCS(=O)(=O)O SC-99470 [0,2,0,0,0,0|2,0,0]=4 421 B7R0.8 O=CCCC(F)(F)F SC-50907 [0,2,0,0,0,0|2,0,0]=4 422 B7R0.1 C=CCCCCCBr SC-44229 [0,2,0,0,0,0|2,0,0]=4 423 B7R0.1 C=CCSSCC=C SC-77190 [0,2,0,0,0,0|2,0,0]=4 424 B7R0.1 CCCCSCC#N SC-96134 [0,2,0,0,0,0|1,0,1]=4 425 B7R0.1 COCCOCC=O SC-99722 [0,2,0,0,0,0|0,1,0]=3 426 B7R0.1 O=CCCCCCO SC-94633 [0,2,0,0,0,0|1,0,0]=3 427 B5R1.1 C1=CCCC1 SC-18920 [1,0,0,1,0,0|1,0,0]=3 428 B5R1.1 C1=CCOC1 SC-47076 [1,0,0,1,0,0|0,1,1]=4 429 B5R1.1 C1=CNCC1 SC-88946 [1,0,0,1,0,0|1,0,1]=4 430 B5R1.1 C1CSCN1 SC-91699 [1,0,0,1,0,0|1,0,0]=3 431 B5R1.2 BrC1CCC1 SC-50402 [1,0,0,1,0,0|1,0,1]=4 432 B5R1.2 CC1CCN1 SC-70091 [1,0,0,1,0,0|1,0,1]=4 433 B5R1.2 CC1CCN1 SC-A3607 [1,0,0,1,0,0|1,0,1]=4 434 B5R1.2 CC1CCN1 SC-A3960 [1,0,0,1,0,0|1,0,1]=4 435 B5R1.2 CC1CNC1 SC-50429 [1,0,0,1,0,0|1,0,1]=4 436 B5R1.2 FC1CNC1 SC-47665 [1,0,0,1,0,0|2,0,0]=4 437 B5R1.2 FC1CNC1 SC-51742 [1,0,0,1,0,0|2,0,0]=4 438 B5R1.2 IC1CCC1 SC-92367 [1,0,0,1,0,0|1,0,1]=4 439 B5R1.2 IC1COC1 SC-43780 [1,0,0,1,0,0|1,1,0]=4 440 B5R1.2 NC1CCC1 SC-20422 [1,0,0,1,0,0|1,0,1]=4 441 B5R1.2 NC1CNC1 SC-82511 [1,0,0,1,0,0|2,0,0]=4 442 B5R1.2 NC1COC1 SC-20809 [1,0,0,1,0,0|1,1,0]=4 443 B5R1.2 O=C1CCC1 SC-00523 [1,0,0,1,0,0|0,0,0]=2 444 B5R1.2 O=C1CCN1 SC-44172 [1,0,0,1,0,0|1,0,0]=3 445 B5R1.2 O=C1CNC1 SC-48283 [1,0,0,1,0,0|1,0,0]=3 446 B5R1.2 O=C1COC1 SC-21889 [1,0,0,1,0,0|0,1,0]=3 447 B5R1.2 OC1CNC1 SC-04637 [1,0,0,1,0,0|1,0,1]=4 448 B5R1.2 OC1CNC1 SC-19998 [1,0,0,1,0,0|1,0,1]=4 449 B5R1.2 OC1COC1 SC-25466 [1,0,0,1,0,0|0,1,1]=4 450 B5R1.2 OC1CSC1 SC-36448 [1,0,0,1,0,0|0,0,1]=3 451 B5R1.2 SC1COC1 SC-B7217 [1,0,0,1,0,0|0,2,0]=4 452 B5R1.3 BrCC1CC1 SC-16841 [1,0,0,1,0,0|1,0,1]=4 453 B5R1.3 C#CC1CC1 SC-22635 [1,0,0,1,0,0|1,0,1]=4 454 B5R1.3 C=CC1CO1 SC-72377 [1,0,0,1,0,0|0,1,1]=4 455 B5R1.3 CC[C@@H]1CO1 SC-52802 [1,0,0,1,0,0|0,0,2]=4 456 B5R1.3 ClCC1CC1 SC-27742 [1,0,0,1,0,0|1,0,1]=4 457 B5R1.3 ClC[C@@H]1CO1 SC-06234 [1,0,0,1,0,0|1,1,0]=4 458 B5R1.3 ClC[C@H]1CO1 SC-04973 [1,0,0,1,0,0|1,1,0]=4 459 B5R1.3 FCC1CO1 SC-91371 [1,0,0,1,0,0|1,1,0]=4 460 B5R1.3 N#CC1CC1 SC-17549 [1,0,0,1,0,0|1,0,1]=4 461 B5R1.3 NCC1CC1 SC-16854 [1,0,0,1,0,0|1,0,1]=4 462 B5R1.3 NCC1CC1 SC-95616 [1,0,0,1,0,0|1,0,1]=4 463 B5R1.3 NNC1CC1 SC-65163 [1,0,0,1,0,0|2,0,0]=4 464 B5R1.3 NNC1CC1 SC-68908 [1,0,0,1,0,0|2,0,0]=4 465 B5R1.3 NNC1CC1 SC-A3090 [1,0,0,1,0,0|2,0,0]=4 466 B5R1.3 NOC1CC1 SC-84445 [1,0,0,1,0,0|2,0,0]=4 467 B5R1.3 O=CC1CC1 SC-18902 [1,0,0,1,0,0|0,0,0]=2 468 B5R1.3 OCC1CC1 SC-02886 [1,0,0,1,0,0|0,0,2]=4 469 B5R1.3 OCC1CO1 SC-18485 [1,0,0,1,0,0|0,1,1]=4 470 B5R1.3 OC[C@@H]1CO1 SC-05422 [1,0,0,1,0,0|0,1,1]=4 471 B5R1.3 OC[C@H]1CO1 SC-05653 [1,0,0,1,0,0|0,1,1]=4 472 B7R1.1 O=CC1CCCC1 SC-21778 [0,1,0,1,0,0|1,0,0]=3 473 B7R1.1 O=CC1CCCC1 SC-44728 [0,1,0,1,0,0|1,0,0]=3 474 B7R1.1 O=CC1CCNC1 SC-85271 [0,1,0,1,0,0|1,0,0]=3 475 B7R1.2 CC1=CC(=O)CC1 SC-18727 [0,1,0,1,0,0|1,0,0]=3 476 B7R1.2 CC1=CC(=O)OC1 SC-25541 [0,1,0,1,0,0|2,0,0]=4 477 B7R1.2 CC1CCC(=O)C1 SC-93748 [0,1,0,1,0,0|1,0,0]=3 478 B7R1.2 CC1CNC(=O)C1 SC-50248 [0,1,0,1,0,0|2,0,0]=4 479 B7R1.2 CC1COC(=O)C1 SC-60836 [0,1,0,1,0,0|2,0,0]=4 480 B7R1.2 CC1COC(=O)O1 SC-65189 [0,1,0,1,0,0|2,0,0]=4 481 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [0,1,0,1,0,0|2,0,0]=4 482 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [0,1,0,1,0,0|2,0,0]=4 483 B7R1.2 N=C1NC(=O)CS1 SC-69631 [0,1,0,1,0,0|1,0,1]=4 484 B7R1.2 NC1CNC(=O)C1 SC-66063 [0,1,0,1,0,0|2,0,0]=4 485 B7R1.2 NC1COC(=O)C1 SC-34183 [0,1,0,1,0,0|2,0,0]=4 486 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [0,1,0,1,0,0|2,0,0]=4 487 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [0,1,0,1,0,0|2,0,0]=4 488 B7R1.2 O=C1CC(O)CN1 SC-29049 [0,1,0,1,0,0|2,0,0]=4 489 B7R1.2 O=C1CCC(=O)C1 SC-15331 [0,1,0,1,0,0|1,0,0]=3 490 B7R1.2 O=C1CCC(=O)N1 SC-26697 [0,1,0,1,0,0|2,0,0]=4 491 B7R1.2 O=C1CNC(=O)C1 SC-88883 [0,1,0,1,0,0|1,0,1]=4 492 B7R1.2 O=C1COC(=O)C1 SC-86968 [0,1,0,1,0,0|0,1,1]=4 493 B7R1.2 O=C1CSC(=O)N1 SC-17499 [0,1,0,1,0,0|1,0,1]=4 494 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [0,1,0,1,0,0|2,0,0]=4 495 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [0,1,0,1,0,0|2,0,0]=4 496 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [0,1,0,1,0,0|2,0,0]=4 497 B7R1.3 BrC1=CCCCC1 SC-69986 [0,1,0,1,0,0|2,0,0]=4 498 B7R1.3 C=C1CCNCC1 SC-88353 [0,1,0,1,0,0|2,0,0]=4 499 B7R1.3 CC1=CCCCC1 SC-99243 [0,1,0,1,0,0|2,0,0]=4 500 B7R1.3 CC1=CCCNC1 SC-82898 [0,1,0,1,0,0|2,0,0]=4 501 B7R1.3 CC1=CCNCC1 SC-B8899 [0,1,0,1,0,0|2,0,0]=4 502 B7R1.3 NC1CCSCC1 SC-35455 [0,1,0,1,0,0|1,0,1]=4 503 B7R1.3 NC1CCSCC1 SC-49681 [0,1,0,1,0,0|1,0,1]=4 504 B7R1.3 O=C1C=CCCN1 SC-25185 [0,1,0,1,0,0|1,0,1]=4 505 B7R1.3 O=C1C=CCCO1 SC-50374 [0,1,0,1,0,0|1,0,1]=4 506 B7R1.3 O=C1CCCCN1 SC-16274 [0,1,0,1,0,0|1,0,0]=3 507 B7R1.3 O=C1CCCCO1 SC-65111 [0,1,0,1,0,0|1,0,0]=3 508 B7R1.3 O=C1CCCNC1 SC-29391 [0,1,0,1,0,0|1,0,0]=3 509 B7R1.3 O=C1CCCNC1 SC-48015 [0,1,0,1,0,0|1,0,0]=3 510 B7R1.3 O=C1CCCOC1 SC-14944 [0,1,0,1,0,0|0,1,0]=3 511 B7R1.3 O=C1CCNCC1 SC-04236 [0,1,0,1,0,0|1,0,0]=3 512 B7R1.3 O=C1CCNCC1 SC-04379 [0,1,0,1,0,0|1,0,0]=3 513 B7R1.3 O=C1CCNCC1 SC-19352 [0,1,0,1,0,0|1,0,0]=3 514 B7R1.3 O=C1CCOCC1 SC-03251 [0,1,0,1,0,0|0,1,0]=3 515 B7R1.3 O=C1CCSCC1 SC-19697 [0,1,0,1,0,0|0,0,0]=2 516 B7R1.3 O=C1CNCCN1 SC-05365 [0,1,0,1,0,0|1,0,0]=3 517 B7R1.3 O=C1CNCCO1 SC-84883 [0,1,0,1,0,0|1,0,0]=3 518 B7R1.3 O=C1COCCN1 SC-24222 [0,1,0,1,0,0|0,1,0]=3 519 B7R1.3 O=C1CSCCN1 SC-28581 [0,1,0,1,0,0|0,0,0]=2 520 B7R1.3 OC1CC=CCC1 SC-87372 [0,1,0,1,0,0|2,0,0]=4 521 B7R1.3 OC1CCSCC1 SC-35917 [0,1,0,1,0,0|0,0,2]=4 522 B7R1.4 C=C1CCOC1=O SC-19579 [0,1,0,1,0,0|1,0,1]=4 523 B7R1.4 CC1=CCCC1=O SC-15856 [0,1,0,1,0,0|1,0,0]=3 524 B7R1.4 CC1CCCC1=O SC-89605 [0,1,0,1,0,0|1,0,0]=3 525 B7R1.4 CC1CCNC1=O SC-21672 [0,1,0,1,0,0|1,0,0]=3 526 B7R1.4 CC1CCOC1=O SC-20996 [0,1,0,1,0,0|1,0,0]=3 527 B7R1.4 CN1CCNC1=O SC-89793 [0,1,0,1,0,0|1,0,0]=3 528 B7R1.4 NC1CCNC1=O SC-13910 [0,1,0,1,0,0|2,0,0]=4 529 B7R1.4 NC1CCNC1=O SC-53072 [0,1,0,1,0,0|2,0,0]=4 530 B7R1.4 N[C@@H]1CCNC1=O SC-65959 [0,1,0,1,0,0|2,0,0]=4 531 B7R1.4 N[C@@H]1CCNC1=O SC-A2225 [0,1,0,1,0,0|2,0,0]=4 532 B7R1.4 N[C@@H]1CCOC1=O SC-28003 [0,1,0,1,0,0|2,0,0]=4 533 B7R1.4 N[C@H]1CCNC1=O SC-96457 [0,1,0,1,0,0|2,0,0]=4 534 B7R1.4 N[C@H]1CCOC1=O SC-01385 [0,1,0,1,0,0|2,0,0]=4 535 B7R1.4 N[C@H]1CCOC1=O SC-28113 [0,1,0,1,0,0|2,0,0]=4 536 B7R1.4 O=C1CCCC1Cl SC-21538 [0,1,0,1,0,0|1,0,0]=3 537 B7R1.4 O=C1NCCC1O SC-26159 [0,1,0,1,0,0|2,0,0]=4 538 B7R1.4 O=C1NCC[C@H]1O SC-87526 [0,1,0,1,0,0|2,0,0]=4 539 B7R1.4 O=C1OCCC1Br SC-15437 [0,1,0,1,0,0|2,0,0]=4 540 B7R1.10 O=C1CC(CO)C1 SC-86648 [0,1,0,1,0,0|2,0,0]=4 541 B7R1.7 C=CCCC1CO1 SC-99784 [0,1,0,1,0,0|1,1,0]=4 542 B7R1.12 O=C(O)C1CC1F SC-85228 [0,1,0,1,0,0|2,0,0]=4 543 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [0,1,0,1,0,0|2,0,0]=4 544 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [0,1,0,1,0,0|2,0,0]=4 545 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [0,1,0,1,0,0|2,0,0]=4 546 B7R1.14 O=S1(=O)CCCC1 SC-46369 [0,1,0,1,0,0|2,0,0]=4 547 B7R1.18 CC(=O)C1CCC1 SC-74316 [0,1,0,1,0,0|1,0,0]=3 548 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [0,1,0,1,0,0|2,0,0]=4 549 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [0,1,0,1,0,0|1,0,0]=3 550 B7R1.18 O=C(O)C1CCC1 SC-17776 [0,1,0,1,0,0|1,0,0]=3 551 B7R1.18 O=C(O)C1CCO1 SC-22549 [0,1,0,1,0,0|2,0,0]=4 552 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [0,1,0,1,0,0|2,0,0]=4 553 B7R1.20 CC(=O)CC1CC1 SC-21396 [0,1,0,1,0,0|1,0,0]=3 554 B7R1.20 NC(=O)NC1CC1 SC-84633 [0,1,0,1,0,0|2,0,0]=4 555 B7R1.20 O=C(O)CC1CC1 SC-13938 [0,1,0,1,0,0|1,0,0]=3