0 B4R0.2 BrCCCBr AMY25527 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 C#CCCBr AMY1272 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.2 C#CCOC AMY1246 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 C#COCC AMY33551 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 C=CCCCl AMY11185 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.2 C=CCCO AMY14291 [0,0,0,0,0,0|1,1,1]=3 6 B4R0.2 C=CCNC AMY13350 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.2 C=CCNN AM806419 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.2 C=CCOC AM20100534 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.2 C=CCON AM90375 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.2 C=NCC#N AMY24166 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.2 CC#CCBr AMY1227 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.2 CC#CCO AMY19259 [0,0,0,0,0,0|1,1,2]=4 13 B4R0.2 CCCCN AMY21914 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.2 CCCNN AM9771 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.2 CCNCC AMY25752 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.2 CCPCC AMY11725 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.2 CC\C=C\Br AMY796 [0,0,0,0,0,0|2,0,2]=4 18 B4R0.2 CNCC#N AM20090317 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.2 CNCCCl AM803928 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.2 CNCCF AMY202003232 [0,0,0,0,0,0|3,0,0]=3 21 B4R0.2 CNCCO AMY32697 [0,0,0,0,0,0|2,1,0]=3 22 B4R0.2 COCCCl AMY25739 [0,0,0,0,0,0|3,0,0]=3 23 B4R0.2 COCCN AM808206 [0,0,0,0,0,0|3,0,0]=3 24 B4R0.2 CSCCCl AMY15533 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.2 CSCCN AMY33509 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.2 CSCCO AMY19250 [0,0,0,0,0,0|2,1,0]=3 27 B4R0.2 C\C=C\CCl AMY618 [0,0,0,0,0,0|2,0,2]=4 28 B4R0.2 C\C=C\CO AMY21936 [0,0,0,0,0,0|1,1,2]=4 29 B4R0.2 ClCCCBr AMY40180 [0,0,0,0,0,0|2,0,0]=2 30 B4R0.2 ClCCCCl AMY22013 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.2 ClCCCI AMY25762 [0,0,0,0,0,0|2,0,0]=2 32 B4R0.2 FCCCBr AMY28674 [0,0,0,0,0,0|2,0,0]=2 33 B4R0.2 N#CCC#N AMY40191 [0,0,0,0,0,0|2,0,2]=4 34 B4R0.2 N#CCCCl AMY21819 [0,0,0,0,0,0|2,0,1]=3 35 B4R0.2 NCCCBr AM20100225 [0,0,0,0,0,0|2,0,0]=2 36 B4R0.2 NCCCN AMY21886 [0,0,0,0,0,0|2,0,0]=2 37 B4R0.2 NCCON AMY10143 [0,0,0,0,0,0|3,0,0]=3 38 B4R0.2 NNCCO AM20080045 [0,0,0,0,0,0|2,1,0]=3 39 B4R0.2 OCCCBr AM20100533 [0,0,0,0,0,0|1,1,0]=2 40 B4R0.2 OCCCCl AMY9478 [0,0,0,0,0,0|1,1,0]=2 41 B4R0.2 OCCCF AM1014 [0,0,0,0,0,0|1,1,0]=2 42 B4R0.2 SCCCBr AM806637 [0,0,0,0,0,0|1,0,0]=1 43 B4R0.2 [Li]CCCC AMY14790 [0,0,0,0,0,0|2,0,0]=2 44 B3R0.1 BrCCBr AMY25519 [1,0,0,0,0,0|2,0,0]=3 45 B3R0.1 C#CCBr AM85466 [1,0,0,0,0,0|1,0,2]=4 46 B3R0.1 C#CCN AM86798 [1,0,0,0,0,0|1,0,2]=4 47 B3R0.1 C#CCN AMY22227 [1,0,0,0,0,0|1,0,2]=4 48 B3R0.1 C=CCN AMY22118 [1,0,0,0,0,0|1,0,2]=4 49 B3R0.1 CC#C[Mg+] AMY1254 [1,0,0,0,0,0|1,0,2]=4 50 B3R0.1 CCCO AMY11110 [1,0,0,0,0,0|0,1,0]=2 51 B3R0.1 CCNN AM10026 [1,0,0,0,0,0|2,0,0]=3 52 B3R0.1 CCNN AMY202003286 [1,0,0,0,0,0|2,0,0]=3 53 B3R0.1 CCON AM90373 [1,0,0,0,0,0|2,0,0]=3 54 B3R0.1 CN=C=S AMY11073 [1,0,0,0,0,0|1,0,2]=4 55 B3R0.1 CNOC AM20100609 [1,0,0,0,0,0|3,0,0]=4 56 B3R0.1 CSSC AMY39506 [1,0,0,0,0,0|3,0,0]=4 57 B3R0.1 C[Se][Se]C AMY31938 [1,0,0,0,0,0|3,0,0]=4 58 B3R0.1 C\C=C\Br AMY19968 [1,0,0,0,0,0|1,0,2]=4 59 B3R0.1 ClCCBr AMY25520 [1,0,0,0,0,0|2,0,0]=3 60 B3R0.1 ClCCCl AMY33455 [1,0,0,0,0,0|2,0,0]=3 61 B3R0.1 FCCBr AMY39418 [1,0,0,0,0,0|2,0,0]=3 62 B3R0.1 FCCI AM20100746 [1,0,0,0,0,0|2,0,0]=3 63 B3R0.1 N#CCBr AMY21970 [1,0,0,0,0,0|2,0,1]=4 64 B3R0.1 N#CCF AMY33527 [1,0,0,0,0,0|2,0,1]=4 65 B3R0.1 N#CCN AMY19488 [1,0,0,0,0,0|2,0,1]=4 66 B3R0.1 NCCBr AM20090316 [1,0,0,0,0,0|2,0,0]=3 67 B3R0.1 NCCCl AMY3602 [1,0,0,0,0,0|2,0,0]=3 68 B3R0.1 NCCF AM20100176 [1,0,0,0,0,0|2,0,0]=3 69 B3R0.1 NCCS AMY202100105 [1,0,0,0,0,0|1,0,0]=2 70 B3R0.1 OCCBr AMY39504 [1,0,0,0,0,0|1,1,0]=3 71 B3R0.1 OCCF AMY25659 [1,0,0,0,0,0|1,1,0]=3 72 B3R0.1 OCCO AMY22336 [1,0,0,0,0,0|0,2,0]=3 73 B5R0.1 C=C(C)CCBr AMY7022 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 C=CC[C@H](C)N AM9152 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.1 C=CC[C@H](C)O AM804193 [0,1,0,0,0,0|1,1,1]=4 76 B5R0.1 CC(=O)CCO AMY31061 [0,1,0,0,0,0|0,2,1]=4 77 B5R0.1 CC(C)CNN AM806328 [0,1,0,0,0,0|3,0,0]=4 78 B5R0.1 CC(C)CNN AM9787 [0,1,0,0,0,0|3,0,0]=4 79 B5R0.1 CC(C)CON AMY31434 [0,1,0,0,0,0|3,0,0]=4 80 B5R0.1 CC(C)OCCl AMY23885 [0,1,0,0,0,0|3,0,0]=4 81 B5R0.1 CCCB(O)O AMY987 [0,1,0,0,0,0|2,1,0]=4 82 B5R0.1 CCCC(=N)N AM802888 [0,1,0,0,0,0|2,0,1]=4 83 B5R0.1 CCCC(=N)N AMY2389 [0,1,0,0,0,0|2,0,1]=4 84 B5R0.1 CCCC(C)=O AMY25524 [0,1,0,0,0,0|1,1,1]=4 85 B5R0.1 CCC[C@H](C)N AMY12548 [0,1,0,0,0,0|2,0,0]=3 86 B5R0.1 CCNC(C)C AMY13342 [0,1,0,0,0,0|3,0,0]=4 87 B5R0.1 CN(C)CCBr AM84884 [0,1,0,0,0,0|3,0,0]=4 88 B5R0.1 CN(C)CCCl AM20080022 [0,1,0,0,0,0|3,0,0]=4 89 B5R0.1 CN(C)CCCl AM20100171 [0,1,0,0,0,0|3,0,0]=4 90 B5R0.1 CN(C)CCN AM20080032 [0,1,0,0,0,0|3,0,0]=4 91 B5R0.1 COC[C@@H](C)N AMY19545 [0,1,0,0,0,0|3,0,0]=4 92 B5R0.1 COC[C@H](C)O AM20100219 [0,1,0,0,0,0|2,1,0]=4 93 B5R0.1 C[C@@H](O)CCO AMY25740 [0,1,0,0,0,0|0,2,0]=3 94 B5R0.1 C[C@H](N)CCO AM84886 [0,1,0,0,0,0|1,1,0]=3 95 B5R0.1 C[C@H](N)CCO AM9719 [0,1,0,0,0,0|1,1,0]=3 96 B5R0.1 C[C@H](N)CCO AMY409 [0,1,0,0,0,0|1,1,0]=3 97 B5R0.1 C[C@H](O)CNN AM803409 [0,1,0,0,0,0|2,1,0]=4 98 B5R0.1 NCCC(=O)O AM20080020 [0,1,0,0,0,0|1,1,1]=4 99 B5R0.1 NCCC(=O)O AMY22128 [0,1,0,0,0,0|1,1,1]=4 100 B5R0.1 NCCC(N)=O AM20100576 [0,1,0,0,0,0|1,1,1]=4 101 B5R0.1 NCCC(N)=O AMY6958 [0,1,0,0,0,0|1,1,1]=4 102 B5R0.1 O=C(Cl)CCBr AM90184 [0,1,0,0,0,0|1,1,1]=4 103 B5R0.1 O=C(O)CCBr AM20100434 [0,1,0,0,0,0|1,1,1]=4 104 B5R0.1 O=C(O)CCF AM803932 [0,1,0,0,0,0|1,1,1]=4 105 B5R0.1 O=C(O)CCO AM85796 [0,1,0,0,0,0|0,2,1]=4 106 B5R0.1 O=C(O)CCS AMY27767 [0,1,0,0,0,0|0,1,1]=3 107 B5R0.2 BrCCCCBr AM20080049 [0,1,0,0,0,0|2,0,0]=3 108 B5R0.2 C#CCCCC AMY1242 [0,1,0,0,0,0|2,0,0]=3 109 B5R0.2 C=CCCC=C AMY18716 [0,1,0,0,0,0|2,0,1]=4 110 B5R0.2 C=CCCC=C AMY19739 [0,1,0,0,0,0|2,0,1]=4 111 B5R0.2 C=CCCCBr AM20080066 [0,1,0,0,0,0|2,0,0]=3 112 B5R0.2 C=CCCCO AMY41353 [0,1,0,0,0,0|1,1,0]=3 113 B5R0.2 CCC#CCO AMY1239 [0,1,0,0,0,0|1,1,1]=4 114 B5R0.2 CCCCCBr AMY9378 [0,1,0,0,0,0|2,0,0]=3 115 B5R0.2 CCCCCC AMY22305 [0,1,0,0,0,0|2,0,0]=3 116 B5R0.2 CCCCCN AMY21878 [0,1,0,0,0,0|2,0,0]=3 117 B5R0.2 CCCCCS AMY19243 [0,1,0,0,0,0|1,0,0]=2 118 B5R0.2 CCCCNN AMY202003284 [0,1,0,0,0,0|2,0,0]=3 119 B5R0.2 CCCNCC AMY13343 [0,1,0,0,0,0|2,0,0]=3 120 B5R0.2 CNCCCN AM20100546 [0,1,0,0,0,0|2,0,0]=3 121 B5R0.2 CNCCNC AM86300 [0,1,0,0,0,0|3,0,0]=4 122 B5R0.2 COCCC#N AMY40960 [0,1,0,0,0,0|1,1,1]=4 123 B5R0.2 COCCCBr AM20090592 [0,1,0,0,0,0|1,1,0]=3 124 B5R0.2 COCCCCl AMY25654 [0,1,0,0,0,0|1,1,0]=3 125 B5R0.2 COCCCN AMY21871 [0,1,0,0,0,0|1,1,0]=3 126 B5R0.2 COCCCN AMY38449 [0,1,0,0,0,0|1,1,0]=3 127 B5R0.2 COCCCO AM20080231 [0,1,0,0,0,0|0,2,0]=3 128 B5R0.2 COCCNN AM803665 [0,1,0,0,0,0|2,1,0]=4 129 B5R0.2 COCCNN AMY202003278 [0,1,0,0,0,0|2,1,0]=4 130 B5R0.2 COCCOC AMY25530 [0,1,0,0,0,0|2,1,0]=4 131 B5R0.2 COCCON AMY27642 [0,1,0,0,0,0|2,1,0]=4 132 B5R0.2 CSCCCCl AMY744 [0,1,0,0,0,0|1,0,0]=2 133 B5R0.2 ClCCCCI AMY2538 [0,1,0,0,0,0|2,0,0]=3 134 B5R0.2 ClCCOCCl AMY38249 [0,1,0,0,0,0|2,0,0]=3 135 B5R0.2 ClC\C=C\CCl AMY2667 [0,1,0,0,0,0|2,0,1]=4 136 B5R0.2 N#CCCC#N AMY25947 [0,1,0,0,0,0|2,0,1]=4 137 B5R0.2 N#CCCC=O AMY9205 [0,1,0,0,0,0|1,1,1]=4 138 B5R0.2 N#CCCCBr AMY10438 [0,1,0,0,0,0|2,0,0]=3 139 B5R0.2 N#CCCCCl AMY40893 [0,1,0,0,0,0|2,0,0]=3 140 B5R0.2 N#CCCNN AMY202100074 [0,1,0,0,0,0|2,0,1]=4 141 B5R0.2 NCCCCCl AMY15236 [0,1,0,0,0,0|2,0,0]=3 142 B5R0.2 NCCCCN AM20090504 [0,1,0,0,0,0|2,0,0]=3 143 B5R0.2 NCCCCO AMY17788 [0,1,0,0,0,0|1,1,0]=3 144 B5R0.2 O=C=NCCCl AMY23213 [0,1,0,0,0,0|1,1,1]=4 145 B5R0.2 O=CCCC=O AMY18777 [0,1,0,0,0,0|0,2,1]=4 146 B5R0.2 OC\C=C\CCl AMY768 [0,1,0,0,0,0|1,1,1]=4 147 B5R0.3 C=C(CCl)CCl AM80980 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.3 C=C(CO)CO AM20090550 [0,1,0,0,0,0|0,2,1]=4 149 B5R0.3 C=C[C@@H](O)CC AMY851 [0,1,0,0,0,0|2,0,1]=4 150 B5R0.3 C=C[C@H](N)CO AMY14650 [0,1,0,0,0,0|1,1,1]=4 151 B5R0.3 CC(CBr)CBr AMY21213 [0,1,0,0,0,0|2,0,0]=3 152 B5R0.3 CC(CI)CI AMY32062 [0,1,0,0,0,0|2,0,0]=3 153 B5R0.3 CCC(=O)CC AMY11060 [0,1,0,0,0,0|2,0,1]=4 154 B5R0.3 CCC(N)CC AMY4054 [0,1,0,0,0,0|2,0,0]=3 155 B5R0.3 CCN(C)CC AMY13336 [0,1,0,0,0,0|3,0,0]=4 156 B5R0.3 CCN(O)CC AMY25658 [0,1,0,0,0,0|3,0,0]=4 157 B5R0.3 CC[C@@H](N)CO AM85835 [0,1,0,0,0,0|1,1,0]=3 158 B5R0.3 CC[C@@H](O)CN AMY6653 [0,1,0,0,0,0|2,0,0]=3 159 B5R0.3 CC[C@@H](O)CO AMY40578 [0,1,0,0,0,0|1,1,0]=3 160 B5R0.3 CC[C@H](Br)CBr AMY31902 [0,1,0,0,0,0|2,0,0]=3 161 B5R0.3 CC[C@H](C)CBr AMY28688 [0,1,0,0,0,0|2,0,0]=3 162 B5R0.3 CC[C@H](C)NN AM803011 [0,1,0,0,0,0|3,0,0]=4 163 B5R0.3 CC[C@H](C)NN AM9772 [0,1,0,0,0,0|3,0,0]=4 164 B5R0.3 CC[C@H](N)CO AM85834 [0,1,0,0,0,0|1,1,0]=3 165 B5R0.3 CC[C@H](N)CO AM85988 [0,1,0,0,0,0|1,1,0]=3 166 B5R0.3 CC[C@H](O)CO AMY40584 [0,1,0,0,0,0|1,1,0]=3 167 B5R0.3 CO[C@@H](C)CN AMY21775 [0,1,0,0,0,0|3,0,0]=4 168 B5R0.3 C[C@@H](CO)CBr AMY14347 [0,1,0,0,0,0|1,1,0]=3 169 B5R0.3 ClCC(Cl)CCl AMY22833 [0,1,0,0,0,0|2,0,0]=3 170 B5R0.3 NC(CO)CO AM20100310 [0,1,0,0,0,0|0,2,0]=3 171 B5R0.3 NCC(O)CN AM20100500 [0,1,0,0,0,0|2,0,0]=3 172 B5R0.3 NC[C@H](F)CO AMY34391 [0,1,0,0,0,0|1,1,0]=3 173 B5R0.3 NC[C@H](O)CCl AMY31075 [0,1,0,0,0,0|2,0,0]=3 174 B5R0.3 NC[C@H](O)CO AM20100501 [0,1,0,0,0,0|1,1,0]=3 175 B5R0.3 NC[C@H](O)CO AM20100602 [0,1,0,0,0,0|1,1,0]=3 176 B5R0.3 NC[C@H](O)CO AMY18546 [0,1,0,0,0,0|1,1,0]=3 177 B5R0.3 O=C(CBr)CBr AM85919 [0,1,0,0,0,0|2,0,1]=4 178 B5R0.3 O=C(CO)CBr AMY19754 [0,1,0,0,0,0|1,1,1]=4 179 B5R0.3 OC[C@H](Br)CBr AMY25826 [0,1,0,0,0,0|1,1,0]=3 180 B5R0.3 OC[C@H](O)CCl AM81448 [0,1,0,0,0,0|1,1,0]=3 181 B5R0.3 OC[C@H](O)CCl AM81449 [0,1,0,0,0,0|1,1,0]=3 182 B5R0.3 OC[C@H](O)CCl AMY21866 [0,1,0,0,0,0|1,1,0]=3 183 B5R1.1 C1=CCNC1 AM20100570 [0,0,0,1,0,0|3,0,0]=4 184 B5R1.1 C1=CCNC1 AM9928 [0,0,0,1,0,0|3,0,0]=4 185 B5R1.1 C1=CCOC1 AM81814 [0,0,0,1,0,0|3,0,0]=4 186 B5R1.1 C1=CNCC1 AMY6075 [0,0,0,1,0,0|2,0,1]=4 187 B5R1.1 C1CCNC1 AMY10044 [0,0,0,1,0,0|2,0,0]=3 188 B5R1.1 C1CCOC1 AMY11079 [0,0,0,1,0,0|1,1,0]=3 189 B5R1.1 C1CCOC1 AMY14809 [0,0,0,1,0,0|1,1,0]=3 190 B5R1.1 C1CCOC1 AMY14877 [0,0,0,1,0,0|1,1,0]=3 191 B5R1.1 C1CNNC1 AMY28694 [0,0,0,1,0,0|2,0,0]=3 192 B5R1.1 C1CNOC1 AM803837 [0,0,0,1,0,0|1,1,0]=3 193 B5R1.1 C1COCN1 AMY42397 [0,0,0,1,0,0|2,1,0]=4 194 B5R1.1 C1CSCN1 AMY40189 [0,0,0,1,0,0|2,0,0]=3 195 B5R1.2 BrC1CCC1 AM803913 [0,0,0,1,0,0|2,0,0]=3 196 B5R1.2 BrC1CNC1 AMY34832 [0,0,0,1,0,0|3,0,0]=4 197 B5R1.2 BrC1COC1 AM20020035 [0,0,0,1,0,0|3,0,0]=4 198 B5R1.2 CC1CNC1 AM20120351 [0,0,0,1,0,0|3,0,0]=4 199 B5R1.2 C[C@H]1CCN1 AM806564 [0,0,0,1,0,0|2,0,0]=3 200 B5R1.2 ClC1CCC1 AMY6175 [0,0,0,1,0,0|2,0,0]=3 201 B5R1.2 ClC1CNC1 AMY33719 [0,0,0,1,0,0|3,0,0]=4 202 B5R1.2 ClC1COC1 AMY34839 [0,0,0,1,0,0|3,0,0]=4 203 B5R1.2 FC1CNC1 AM20100512 [0,0,0,1,0,0|3,0,0]=4 204 B5R1.2 FC1CNC1 AMY12200 [0,0,0,1,0,0|3,0,0]=4 205 B5R1.2 FC1COC1 AM20020027 [0,0,0,1,0,0|3,0,0]=4 206 B5R1.2 IC1CCC1 AMY6180 [0,0,0,1,0,0|2,0,0]=3 207 B5R1.2 IC1COC1 AM20020026 [0,0,0,1,0,0|3,0,0]=4 208 B5R1.2 NC1CCC1 AMY2668 [0,0,0,1,0,0|2,0,0]=3 209 B5R1.2 NC1CCC1 AMY6177 [0,0,0,1,0,0|2,0,0]=3 210 B5R1.2 NC1CNC1 AMY6172 [0,0,0,1,0,0|3,0,0]=4 211 B5R1.2 NC1COC1 AM20020021 [0,0,0,1,0,0|3,0,0]=4 212 B5R1.2 NC1COC1 AM85383 [0,0,0,1,0,0|3,0,0]=4 213 B5R1.2 NC1CSC1 AM20120367 [0,0,0,1,0,0|3,0,0]=4 214 B5R1.2 N[C@@H]1CCO1 AMY1804 [0,0,0,1,0,0|1,1,0]=3 215 B5R1.2 O=C1CCC1 AM20070575 [0,0,0,1,0,0|1,1,1]=4 216 B5R1.2 O=C1CCN1 AMY18291 [0,0,0,1,0,0|1,1,1]=4 217 B5R1.2 O=C1CCO1 AM20020040 [0,0,0,1,0,0|0,2,1]=4 218 B5R1.2 OC1CCC1 AM803645 [0,0,0,1,0,0|1,1,0]=3 219 B5R1.2 OC1CNC1 AM20100158 [0,0,0,1,0,0|2,1,0]=4 220 B5R1.2 OC1COC1 AM20020046 [0,0,0,1,0,0|2,1,0]=4 221 B5R1.2 OC1CSC1 AMY35636 [0,0,0,1,0,0|2,1,0]=4 222 B5R1.2 SC1COC1 AMY33758 [0,0,0,1,0,0|2,0,0]=3 223 B5R1.3 BrCC1CC1 AM90231 [0,0,0,1,0,0|2,0,0]=3 224 B5R1.3 BrC[C@H]1CO1 AMY31919 [0,0,0,1,0,0|1,1,0]=3 225 B5R1.3 C#CC1CC1 AM20100625 [0,0,0,1,0,0|2,0,1]=4 226 B5R1.3 C=C[C@@H]1CO1 AMY40815 [0,0,0,1,0,0|1,1,1]=4 227 B5R1.3 CNC1CC1 AM20100262 [0,0,0,1,0,0|3,0,0]=4 228 B5R1.3 CNC1CC1 AM20100622 [0,0,0,1,0,0|3,0,0]=4 229 B5R1.3 ClCC1CC1 AM20100440 [0,0,0,1,0,0|2,0,0]=3 230 B5R1.3 ClC[C@H]1CO1 AM20090809 [0,0,0,1,0,0|1,1,0]=3 231 B5R1.3 ClC[C@H]1CO1 AM20090812 [0,0,0,1,0,0|1,1,0]=3 232 B5R1.3 ClC[C@H]1CO1 AMY40813 [0,0,0,1,0,0|1,1,0]=3 233 B5R1.3 ICC1CC1 AMY6123 [0,0,0,1,0,0|2,0,0]=3 234 B5R1.3 IC[C@H]1CO1 AMY5696 [0,0,0,1,0,0|1,1,0]=3 235 B5R1.3 N#CC1CC1 AMY3403 [0,0,0,1,0,0|2,0,1]=4 236 B5R1.3 NCC1CC1 AM61420 [0,0,0,1,0,0|2,0,0]=3 237 B5R1.3 NNC1CC1 AM10015 [0,0,0,1,0,0|3,0,0]=4 238 B5R1.3 O=CC1CC1 AM90182 [0,0,0,1,0,0|1,1,1]=4 239 B5R1.3 OCC1CC1 AM20090298 [0,0,0,1,0,0|1,1,0]=3 240 B5R1.3 OC[C@H]1CO1 AM20100365 [0,0,0,1,0,0|0,2,0]=3 241 B5R1.3 OC[C@H]1CO1 AM20100474 [0,0,0,1,0,0|0,2,0]=3 242 B5R1.3 OC[C@H]1CO1 AM81447 [0,0,0,1,0,0|0,2,0]=3 243 B5R1.4 CC1CC1N AM806543 [0,0,0,1,0,0|2,0,0]=3 244 B5R1.4 CC1CC1N AM806563 [0,0,0,1,0,0|2,0,0]=3 245 B5R1.4 C[C@H]1C[C@H]1F AMY5813 [0,0,0,1,0,0|2,0,0]=3 246 B5R1.4 FC1CC1Br AMY5835 [0,0,0,1,0,0|2,0,0]=3 247 B5R1.4 N[C@@H]1CC1F AM84389 [0,0,0,1,0,0|2,0,0]=3 248 B5R1.4 N[C@H]1C[C@H]1N AMY35674 [0,0,0,1,0,0|2,0,0]=3 249 B2R0.1 BrCBr AMY11088 [2,0,0,0,0,0|2,0,0]=4 250 B2R0.1 CCC AMY22280 [2,0,0,0,0,0|0,0,0]=2 251 B2R0.1 CCI AMY39500 [2,0,0,0,0,0|1,0,0]=3 252 B2R0.1 CC[O-] AMY14850 [2,0,0,0,0,0|0,1,0]=3 253 B2R0.1 CNC AM90364 [2,0,0,0,0,0|1,0,0]=3 254 B2R0.1 CNC AMY14900 [2,0,0,0,0,0|1,0,0]=3 255 B2R0.1 CNO AMY23438 [2,0,0,0,0,0|1,1,0]=4 256 B2R0.1 CON AM90382 [2,0,0,0,0,0|2,0,0]=4 257 B2R0.1 CSC AMY11755 [2,0,0,0,0,0|1,0,0]=3 258 B2R0.1 CSC AMY14803 [2,0,0,0,0,0|1,0,0]=3 259 B2R0.1 ClCBr AMY11119 [2,0,0,0,0,0|2,0,0]=4 260 B2R0.1 ClCI AMY2690 [2,0,0,0,0,0|2,0,0]=4 261 B2R0.1 FCBr AMY6811 [2,0,0,0,0,0|2,0,0]=4 262 B2R0.1 FCF AMY37122 [2,0,0,0,0,0|2,0,0]=4 263 B2R0.1 ICI AMY25773 [2,0,0,0,0,0|2,0,0]=4 264 B4R0.1 C#C[C@@H](C)O AMY24232 [1,1,0,0,0,0|1,0,1]=4 265 B4R0.1 C#C[C@H](C)Br AMY12092 [1,1,0,0,0,0|1,0,1]=4 266 B4R0.1 C#C[C@H](C)N AM806670 [1,1,0,0,0,0|1,0,1]=4 267 B4R0.1 C#C[C@H](C)O AMY34392 [1,1,0,0,0,0|1,0,1]=4 268 B4R0.1 C=C(C)CBr AM85592 [1,1,0,0,0,0|1,0,1]=4 269 B4R0.1 C=C(C)CN AMY13356 [1,1,0,0,0,0|1,0,1]=4 270 B4R0.1 C=C[C@H](C)Cl AMY617 [1,1,0,0,0,0|1,0,1]=4 271 B4R0.1 C=C[C@H](C)O AMY1257 [1,1,0,0,0,0|1,0,1]=4 272 B4R0.1 CC(=O)CBr AM85840 [1,1,0,0,0,0|1,0,1]=4 273 B4R0.1 CC(=O)CN AMY15017 [1,1,0,0,0,0|1,0,1]=4 274 B4R0.1 CC(=O)CN AMY25062 [1,1,0,0,0,0|1,0,1]=4 275 B4R0.1 CC(C)CBr AMY25783 [1,1,0,0,0,0|1,0,0]=3 276 B4R0.1 CC(C)NN AM20090002 [1,1,0,0,0,0|2,0,0]=4 277 B4R0.1 CC(C)NN AMY202003297 [1,1,0,0,0,0|2,0,0]=4 278 B4R0.1 CC(C)ON AM90376 [1,1,0,0,0,0|2,0,0]=4 279 B4R0.1 CCB(O)O AM80871 [1,1,0,0,0,0|1,1,0]=4 280 B4R0.1 CCC(=N)N AM803843 [1,1,0,0,0,0|1,0,1]=4 281 B4R0.1 CCC(=O)Cl AMY4112 [1,1,0,0,0,0|0,1,1]=4 282 B4R0.1 CCC(=O)O AMY4114 [1,1,0,0,0,0|0,1,1]=4 283 B4R0.1 CCC(=O)[O-] AMY22300 [1,1,0,0,0,0|0,1,1]=4 284 B4R0.1 CCC(=O)[O-] AMY37013 [1,1,0,0,0,0|0,1,1]=4 285 B4R0.1 CCC(C)[O-] AMY22246 [1,1,0,0,0,0|0,1,0]=3 286 B4R0.1 CCC(N)=S AMY39288 [1,1,0,0,0,0|0,0,2]=4 287 B4R0.1 CCN(C)C AMY13339 [1,1,0,0,0,0|2,0,0]=4 288 B4R0.1 CC[C@H](C)O AMY11001 [1,1,0,0,0,0|0,1,0]=3 289 B4R0.1 CC[S@](=O)[O-] AMY15674 [1,1,0,0,0,0|1,1,0]=4 290 B4R0.1 CN(C)CCl AMY39211 [1,1,0,0,0,0|2,0,0]=4 291 B4R0.1 CNC(C)C AMY13353 [1,1,0,0,0,0|2,0,0]=4 292 B4R0.1 COC(Cl)Cl AMY31937 [1,1,0,0,0,0|2,0,0]=4 293 B4R0.1 C[C@@H](Cl)CO AMY21413 [1,1,0,0,0,0|0,1,0]=3 294 B4R0.1 C[C@@H](N)CN AMY3648 [1,1,0,0,0,0|1,0,0]=3 295 B4R0.1 C[C@H](Br)C#N AMY39192 [1,1,0,0,0,0|1,0,1]=4 296 B4R0.1 C[C@H](Cl)CO AMY21357 [1,1,0,0,0,0|0,1,0]=3 297 B4R0.1 C[C@H](N)C#N AM9634 [1,1,0,0,0,0|1,0,1]=4 298 B4R0.1 C[C@H](N)CN AMY3672 [1,1,0,0,0,0|1,0,0]=3 299 B4R0.1 C[C@H](N)CO AM20090557 [1,1,0,0,0,0|0,1,0]=3 300 B4R0.1 C[C@H](N)CO AM20100507 [1,1,0,0,0,0|0,1,0]=3 301 B4R0.1 C[C@H](O)CN AM20090353 [1,1,0,0,0,0|1,0,0]=3 302 B4R0.1 C[C@H](O)CN AM20100779 [1,1,0,0,0,0|1,0,0]=3 303 B4R0.1 C[C@H](O)CN AM81450 [1,1,0,0,0,0|1,0,0]=3 304 B4R0.1 FC(F)CCl AMY6873 [1,1,0,0,0,0|2,0,0]=4 305 B4R0.1 FC(F)CI AMY20040 [1,1,0,0,0,0|2,0,0]=4 306 B4R0.1 F[C@@H](Br)CBr AMY6863 [1,1,0,0,0,0|2,0,0]=4 307 B4R0.1 NCC(F)F AMY7132 [1,1,0,0,0,0|2,0,0]=4 308 B4R0.1 O=C([O-])CS AMY25320 [1,1,0,0,0,0|0,1,1]=4 309 B4R0.1 OCC(F)F AMY3957 [1,1,0,0,0,0|1,1,0]=4 310 B4R0.1 [Li]CC(C)C AMY14929 [1,1,0,0,0,0|1,0,0]=3 311 B4R0.1 [Li][C@@H](C)CC AMY14890 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.1 BrCC[C@H](Br)CBr AMY18008 [0,2,0,0,0,0|2,0,0]=4 313 B6R0.1 C[C@@H](CO)CCO AMY37668 [0,2,0,0,0,0|0,2,0]=4 314 B6R0.1 C[C@H](CN)CCN AMY1782 [0,2,0,0,0,0|2,0,0]=4 315 B6R0.1 C[C@H](CO)CCO AMY37676 [0,2,0,0,0,0|0,2,0]=4 316 B6R0.1 N#CC[C@H](O)CCl AM81472 [0,2,0,0,0,0|2,0,0]=4 317 B6R0.1 N#CC[C@H](O)CCl AM81473 [0,2,0,0,0,0|2,0,0]=4 318 B6R0.1 O=C(CCl)CCCl AM9592 [0,2,0,0,0,0|2,0,0]=4 319 B6R0.1 OCC[C@H](O)CO AMY14876 [0,2,0,0,0,0|0,2,0]=4 320 B6R0.1 OCC[C@H](O)CO AMY6061 [0,2,0,0,0,0|0,2,0]=4 321 B6R0.2 CC(C)C[C@H](C)N AMY36830 [0,2,0,0,0,0|2,0,0]=4 322 B6R0.3 CC(C)[C@@H](C)CO AMY19225 [0,2,0,0,0,0|1,1,0]=4 323 B6R0.3 CC(C)[C@@H](N)CO AM20080457 [0,2,0,0,0,0|1,1,0]=4 324 B6R0.3 CC(C)[C@@H](N)CO AM20090150 [0,2,0,0,0,0|1,1,0]=4 325 B6R0.3 CC(C)[C@@H](N)CO AM20100129 [0,2,0,0,0,0|1,1,0]=4 326 B6R0.3 C[C@@H](O)[C@H](N)CO AMY22530 [0,2,0,0,0,0|0,2,0]=4 327 B6R0.3 N[C@@H](CS)C(=O)O AM20070682 [0,2,0,0,0,0|0,1,1]=4 328 B6R0.3 N[C@@H](CS)C(=O)O AM81647 [0,2,0,0,0,0|0,1,1]=4 329 B6R0.3 N[C@@H](CS)C(=O)O AM81648 [0,2,0,0,0,0|0,1,1]=4 330 B6R0.3 N[C@@H](CS)C(=O)O AM81649 [0,2,0,0,0,0|0,1,1]=4 331 B6R0.3 N[C@@H](CS)C(=O)O AM81651 [0,2,0,0,0,0|0,1,1]=4 332 B6R0.4 CC(C)CCCO AMY39142 [0,2,0,0,0,0|1,1,0]=4 333 B6R0.4 CC(C)NCCCl AMY31121 [0,2,0,0,0,0|2,0,0]=4 334 B6R0.4 CC(C)OCCBr AM80879 [0,2,0,0,0,0|2,0,0]=4 335 B6R0.4 CCCCC(=O)[O-] AMY026 [0,2,0,0,0,0|1,1,0]=4 336 B6R0.4 CCCCN(C)C AMY25818 [0,2,0,0,0,0|2,0,0]=4 337 B6R0.4 CCOCC(Br)Br AMY830 [0,2,0,0,0,0|2,0,0]=4 338 B6R0.4 CN(C)CCCCl AM84336 [0,2,0,0,0,0|2,0,0]=4 339 B6R0.4 CN(C)CCCCl AM90218 [0,2,0,0,0,0|2,0,0]=4 340 B6R0.4 CNCCC(C)C AMY37348 [0,2,0,0,0,0|2,0,0]=4 341 B6R0.4 CNCCC(C)C AMY37370 [0,2,0,0,0,0|2,0,0]=4 342 B6R0.4 C[C@H](Br)CCCBr AMY2526 [0,2,0,0,0,0|2,0,0]=4 343 B6R0.4 NCCCC(=O)O AM20100372 [0,2,0,0,0,0|1,1,0]=4 344 B6R0.4 NCCCC(N)=O AMY15220 [0,2,0,0,0,0|1,1,0]=4 345 B6R0.4 O=C(Cl)CCCCl AMY25684 [0,2,0,0,0,0|1,1,0]=4 346 B6R0.4 O=C(O)CCCS AM20080221 [0,2,0,0,0,0|0,1,0]=3 347 B6R0.5 CC(C)(C)CCO AM20100528 [0,2,0,0,0,0|1,1,0]=4 348 B6R0.5 CC(C)(N)CCO AMY117 [0,2,0,0,0,0|1,1,0]=4 349 B6R0.5 CC(C)(O)CCN AMY42489 [0,2,0,0,0,0|1,1,0]=4 350 B6R0.5 FC(F)(F)CCCl AMY6841 [0,2,0,0,0,0|2,0,0]=4 351 B6R0.5 FC(F)(F)CCI AMY6816 [0,2,0,0,0,0|2,0,0]=4 352 B6R0.5 NCCC(F)(F)F AM20090393 [0,2,0,0,0,0|2,0,0]=4 353 B6R0.5 NCCC(F)(F)F AMY15153 [0,2,0,0,0,0|2,0,0]=4 354 B6R0.5 OCCC(F)(F)F AMY6830 [0,2,0,0,0,0|1,1,0]=4 355 B6R0.6 BrCCCCCBr AMY11214 [0,2,0,0,0,0|2,0,0]=4 356 B6R0.6 C#CCOCCO AMY28705 [0,2,0,0,0,0|1,1,0]=4 357 B6R0.6 C=CCCCCBr AM84859 [0,2,0,0,0,0|2,0,0]=4 358 B6R0.6 C=CCCCCO AM20100796 [0,2,0,0,0,0|1,1,0]=4 359 B6R0.6 C=COCCCN AMY3063 [0,2,0,0,0,0|1,1,0]=4 360 B6R0.6 CCCCCCC AMY22304 [0,2,0,0,0,0|2,0,0]=4 361 B6R0.6 CCCCCCN AMY21942 [0,2,0,0,0,0|2,0,0]=4 362 B6R0.6 CCCCNCC AMY3985 [0,2,0,0,0,0|2,0,0]=4 363 B6R0.6 CCCCON=O AMY4016 [0,2,0,0,0,0|1,1,0]=4 364 B6R0.6 CCOCCC#N AMY40959 [0,2,0,0,0,0|2,0,0]=4 365 B6R0.6 CCOCCCN AMY21920 [0,2,0,0,0,0|1,1,0]=4 366 B6R0.6 CCOCCCO AM20080058 [0,2,0,0,0,0|0,2,0]=4 367 B6R0.6 CCOCOCC AMY25683 [0,2,0,0,0,0|2,0,0]=4 368 B6R0.6 COCCCCBr AMY9376 [0,2,0,0,0,0|1,1,0]=4 369 B6R0.6 COCCCCO AM20080057 [0,2,0,0,0,0|0,2,0]=4 370 B6R0.6 C\C=C\CCCO AMY2616 [0,2,0,0,0,0|1,1,0]=4 371 B6R0.6 ClCCNCCCl AM20100797 [0,2,0,0,0,0|2,0,0]=4 372 B6R0.6 ClCCOCCCl AMY9389 [0,2,0,0,0,0|2,0,0]=4 373 B6R0.6 FCCCCCBr AM20100088 [0,2,0,0,0,0|2,0,0]=4 374 B6R0.6 N#CCCCCCl AM20100537 [0,2,0,0,0,0|2,0,0]=4 375 B6R0.6 N#CCOCCCl AMY17914 [0,2,0,0,0,0|2,0,0]=4 376 B6R0.6 NCCCCCN AM61576 [0,2,0,0,0,0|2,0,0]=4 377 B6R0.6 NCCNCCCl AMY10888 [0,2,0,0,0,0|2,0,0]=4 378 B6R0.6 NCCOCCN AMY7556 [0,2,0,0,0,0|2,0,0]=4 379 B6R0.6 NCCOCCO AMY18064 [0,2,0,0,0,0|1,1,0]=4 380 B6R0.6 O=CCCCC=O AMY3308 [0,2,0,0,0,0|0,2,0]=4 381 B6R0.6 O=CCCCCCl AMY772 [0,2,0,0,0,0|1,1,0]=4 382 B6R0.6 OCCCCCBr AM20090543 [0,2,0,0,0,0|1,1,0]=4 383 B6R0.6 OCCOCCBr AMY4498 [0,2,0,0,0,0|1,1,0]=4 384 B6R0.6 OCCOCCCl AMY9387 [0,2,0,0,0,0|1,1,0]=4 385 B6R0.8 CC(C)(CCl)CCl AMY32075 [0,2,0,0,0,0|2,0,0]=4 386 B6R0.8 CC(C)(CI)CI AMY32061 [0,2,0,0,0,0|2,0,0]=4 387 B6R0.8 CC(C)(CN)CO AMY14344 [0,2,0,0,0,0|1,1,0]=4 388 B6R0.8 CC(C)(CO)CCl AMY42053 [0,2,0,0,0,0|1,1,0]=4 389 B6R0.8 CC(C)(CO)CO AMY25552 [0,2,0,0,0,0|0,2,0]=4 390 B6R0.8 CC(N)(CO)CO AMY14265 [0,2,0,0,0,0|0,2,0]=4 391 B6R0.8 CC[C@](C)(N)CN AMY40943 [0,2,0,0,0,0|2,0,0]=4 392 B6R0.8 CC[C@](C)(O)CN AMY24170 [0,2,0,0,0,0|2,0,0]=4 393 B6R0.8 NCC(F)(F)CN AM806163 [0,2,0,0,0,0|2,0,0]=4 394 B6R0.8 NCC(F)(F)CN AMY14720 [0,2,0,0,0,0|2,0,0]=4 395 B6R0.8 NCC(F)(F)CO AMY14719 [0,2,0,0,0,0|1,1,0]=4 396 B6R0.8 OCC(F)(F)CO AMY7075 [0,2,0,0,0,0|0,2,0]=4 397 B6R0.9 C=C[C@@H](CC)CO AMY36984 [0,2,0,0,0,0|1,1,0]=4 398 B6R0.9 CCC(CC)NN AM10003 [0,2,0,0,0,0|2,0,0]=4 399 B6R0.9 CCC(CC)NN AM10008 [0,2,0,0,0,0|2,0,0]=4 400 B6R0.9 CCC(CO)CO AM10034 [0,2,0,0,0,0|0,2,0]=4 401 B6R0.9 OCC(CO)CO AM20100186 [0,2,0,0,0,0|0,2,0]=4 402 B4R1.1 C1CNC1 AM20080889 [1,0,0,1,0,0|1,0,0]=3 403 B4R1.1 C1CNC1 AM20090583 [1,0,0,1,0,0|1,0,0]=3 404 B4R1.1 C1COC1 AM20020039 [1,0,0,1,0,0|0,1,0]=3 405 B4R1.2 BrC1CC1 AM90210 [1,0,0,1,0,0|1,0,0]=3 406 B4R1.2 C[C@H]1CO1 AM81470 [1,0,0,1,0,0|0,1,0]=3 407 B4R1.2 C[C@H]1CO1 AM81471 [1,0,0,1,0,0|0,1,0]=3 408 B4R1.2 NC1CC1 AM804333 [1,0,0,1,0,0|1,0,0]=3 409 B4R1.2 OC1CC1 AMY35209 [1,0,0,1,0,0|0,1,0]=3 410 B6R1.2 BrC1=CCCC1 AMY38286 [0,1,0,1,0,0|2,0,0]=4 411 B6R1.2 BrC1CCCC1 AM20080273 [0,1,0,1,0,0|2,0,0]=4 412 B6R1.2 Br[C@H]1CCNC1 AM101739 [0,1,0,1,0,0|2,0,0]=4 413 B6R1.2 Br[C@H]1CCNC1 AM101740 [0,1,0,1,0,0|2,0,0]=4 414 B6R1.2 Br[C@H]1CCNC1 AM101781 [0,1,0,1,0,0|2,0,0]=4 415 B6R1.2 Br[C@H]1CCNC1 AM91615 [0,1,0,1,0,0|2,0,0]=4 416 B6R1.2 Br[C@H]1CCNC1 AM96305 [0,1,0,1,0,0|2,0,0]=4 417 B6R1.2 Br[C@H]1CCNC1 AM96372 [0,1,0,1,0,0|2,0,0]=4 418 B6R1.2 Br[C@H]1CCOC1 AM20090126 [0,1,0,1,0,0|1,1,0]=4 419 B6R1.2 CC1=CCCC1 AMY6023 [0,1,0,1,0,0|2,0,0]=4 420 B6R1.2 CC1=NCCC1 AMY886 [0,1,0,1,0,0|2,0,0]=4 421 B6R1.2 CC1=NCCS1 AMY23228 [0,1,0,1,0,0|1,0,1]=4 422 B6R1.2 CC1CCCC1 AMY21930 [0,1,0,1,0,0|2,0,0]=4 423 B6R1.2 CN1CCCC1 AMY25542 [0,1,0,1,0,0|2,0,0]=4 424 B6R1.2 C[C@@H]1CCNC1 AMY37511 [0,1,0,1,0,0|2,0,0]=4 425 B6R1.2 C[C@H]1CCCN1 AM20080260 [0,1,0,1,0,0|2,0,0]=4 426 B6R1.2 C[C@H]1CCCN1 AM20090040 [0,1,0,1,0,0|2,0,0]=4 427 B6R1.2 C[C@H]1CCCN1 AM20100102 [0,1,0,1,0,0|2,0,0]=4 428 B6R1.2 C[C@H]1CCCN1 AM20100445 [0,1,0,1,0,0|2,0,0]=4 429 B6R1.2 C[C@H]1CCCN1 AM20100751 [0,1,0,1,0,0|2,0,0]=4 430 B6R1.2 C[C@H]1CCCO1 AM81816 [0,1,0,1,0,0|1,1,0]=4 431 B6R1.2 C[C@H]1CCNC1 AM803039 [0,1,0,1,0,0|2,0,0]=4 432 B6R1.2 C[C@H]1CCNC1 AM803735 [0,1,0,1,0,0|2,0,0]=4 433 B6R1.2 C[C@H]1CCNC1 AMY37562 [0,1,0,1,0,0|2,0,0]=4 434 B6R1.2 ClC1CCCC1 AMY22306 [0,1,0,1,0,0|2,0,0]=4 435 B6R1.2 Cl[C@H]1CCNC1 AM90551 [0,1,0,1,0,0|2,0,0]=4 436 B6R1.2 Cl[C@H]1CCNC1 AM90553 [0,1,0,1,0,0|2,0,0]=4 437 B6R1.2 Cl[C@H]1CCNC1 AM90576 [0,1,0,1,0,0|2,0,0]=4 438 B6R1.2 Cl[C@H]1CCNC1 AM90577 [0,1,0,1,0,0|2,0,0]=4 439 B6R1.2 Cl[C@H]1CCNC1 AM91617 [0,1,0,1,0,0|2,0,0]=4 440 B6R1.2 Cl[C@H]1CCNC1 AM96290 [0,1,0,1,0,0|2,0,0]=4 441 B6R1.2 Cl[C@H]1CCOC1 AM100455 [0,1,0,1,0,0|1,1,0]=4 442 B6R1.2 F[C@H]1CCNC1 AM20080115 [0,1,0,1,0,0|2,0,0]=4 443 B6R1.2 F[C@H]1CCNC1 AM20080270 [0,1,0,1,0,0|2,0,0]=4 444 B6R1.2 F[C@H]1CCNC1 AM20080271 [0,1,0,1,0,0|2,0,0]=4 445 B6R1.2 F[C@H]1CCNC1 AM20090020 [0,1,0,1,0,0|2,0,0]=4 446 B6R1.2 F[C@H]1CCNC1 AMY41754 [0,1,0,1,0,0|2,0,0]=4 447 B6R1.2 IC1CCCC1 AMY3844 [0,1,0,1,0,0|2,0,0]=4 448 B6R1.2 I[C@H]1CCNC1 AM91594 [0,1,0,1,0,0|2,0,0]=4 449 B6R1.2 I[C@H]1CCNC1 AM91619 [0,1,0,1,0,0|2,0,0]=4 450 B6R1.2 I[C@H]1CCNC1 AM91621 [0,1,0,1,0,0|2,0,0]=4 451 B6R1.2 I[C@H]1CCNC1 AM92136 [0,1,0,1,0,0|2,0,0]=4 452 B6R1.2 I[C@H]1CCNC1 AM95453 [0,1,0,1,0,0|2,0,0]=4 453 B6R1.2 I[C@H]1CCNC1 AM96429 [0,1,0,1,0,0|2,0,0]=4 454 B6R1.2 I[C@H]1CCOC1 AM20080159 [0,1,0,1,0,0|1,1,0]=4 455 B6R1.2 N=C1CCCC1 AMY39966 [0,1,0,1,0,0|2,0,0]=4 456 B6R1.2 NC1=NCCS1 AMY202003298 [0,1,0,1,0,0|1,0,1]=4 457 B6R1.2 NC1CC=CC1 AM20120323 [0,1,0,1,0,0|2,0,0]=4 458 B6R1.2 NC1CCCC1 AMY3757 [0,1,0,1,0,0|2,0,0]=4 459 B6R1.2 N[C@@H]1CCCN1 AMY9118 [0,1,0,1,0,0|2,0,0]=4 460 B6R1.2 N[C@H]1CCNC1 AM81992 [0,1,0,1,0,0|2,0,0]=4 461 B6R1.2 N[C@H]1CCNC1 AM81993 [0,1,0,1,0,0|2,0,0]=4 462 B6R1.2 N[C@H]1CCNC1 AM85320 [0,1,0,1,0,0|2,0,0]=4 463 B6R1.2 N[C@H]1CCOC1 AM20080063 [0,1,0,1,0,0|1,1,0]=4 464 B6R1.2 N[C@H]1CCOC1 AM20120276 [0,1,0,1,0,0|1,1,0]=4 465 B6R1.2 N[C@H]1CCOC1 AM62692 [0,1,0,1,0,0|1,1,0]=4 466 B6R1.2 N[C@H]1CCOC1 AMY4352 [0,1,0,1,0,0|1,1,0]=4 467 B6R1.2 N[C@H]1CCOC1 AMY5964 [0,1,0,1,0,0|1,1,0]=4 468 B6R1.2 O=C1CCCC1 AMY37126 [0,1,0,1,0,0|1,1,0]=4 469 B6R1.2 O=C1CCCN1 AMY25506 [0,1,0,1,0,0|1,1,0]=4 470 B6R1.2 O=C1CCSC1 AMY23378 [0,1,0,1,0,0|0,1,1]=4 471 B6R1.2 OC1CC=CC1 AMY9178 [0,1,0,1,0,0|2,0,0]=4 472 B6R1.2 OC1CCCC1 AMY3616 [0,1,0,1,0,0|1,1,0]=4 473 B6R1.2 O[C@@H]1CCCO1 AMY20193 [0,1,0,1,0,0|0,2,0]=4 474 B6R1.2 O[C@@H]1CCNO1 AMY37646 [0,1,0,1,0,0|0,2,0]=4 475 B6R1.2 O[C@H]1CCNC1 AM20070695 [0,1,0,1,0,0|1,1,0]=4 476 B6R1.2 O[C@H]1CCNC1 AM20080166 [0,1,0,1,0,0|1,1,0]=4 477 B6R1.2 O[C@H]1CCNC1 AM20090354 [0,1,0,1,0,0|1,1,0]=4 478 B6R1.2 O[C@H]1CCNC1 AM20100082 [0,1,0,1,0,0|1,1,0]=4 479 B6R1.2 O[C@H]1CCNC1 AM90404 [0,1,0,1,0,0|1,1,0]=4 480 B6R1.2 O[C@H]1CCNO1 AMY37647 [0,1,0,1,0,0|0,2,0]=4 481 B6R1.2 O[C@H]1CCOC1 AM20100156 [0,1,0,1,0,0|0,2,0]=4 482 B6R1.2 O[C@H]1CCOC1 AM20110236 [0,1,0,1,0,0|0,2,0]=4 483 B6R1.2 O[C@H]1CCOC1 AM20110237 [0,1,0,1,0,0|0,2,0]=4 484 B6R1.2 O[C@H]1CCSC1 AM20090505 [0,1,0,1,0,0|0,1,0]=3 485 B6R1.2 SC1=NCCS1 AMY23225 [0,1,0,1,0,0|0,0,1]=3 486 B6R1.2 S[C@H]1CCOC1 AM101772 [0,1,0,1,0,0|0,1,0]=3 487 B6R1.3 BrCCC1CC1 AMY202003230 [0,1,0,1,0,0|2,0,0]=4 488 B6R1.3 BrCC[C@H]1CO1 AMY20094 [0,1,0,1,0,0|1,1,0]=4 489 B6R1.3 CNCC1CC1 AM803431 [0,1,0,1,0,0|2,0,0]=4 490 B6R1.3 CNCC1CC1 AMY34463 [0,1,0,1,0,0|2,0,0]=4 491 B6R1.3 COC[C@H]1CO1 AM20120337 [0,1,0,1,0,0|0,2,0]=4 492 B6R1.3 ICCC1CC1 AMY34362 [0,1,0,1,0,0|2,0,0]=4 493 B6R1.3 N#CCC1CC1 AM20100595 [0,1,0,1,0,0|2,0,0]=4 494 B6R1.3 NCCC1CC1 AMY39140 [0,1,0,1,0,0|2,0,0]=4 495 B6R1.3 NCCC1CC1 AMY4139 [0,1,0,1,0,0|2,0,0]=4 496 B6R1.3 NNCC1CC1 AM10018 [0,1,0,1,0,0|2,0,0]=4 497 B6R1.3 NNCC1CC1 AMY16104 [0,1,0,1,0,0|2,0,0]=4 498 B6R1.3 NOCC1CC1 AM90383 [0,1,0,1,0,0|1,1,0]=4 499 B6R1.3 OCCC1CC1 AMY3915 [0,1,0,1,0,0|1,1,0]=4 500 B6R1.5 NC1CC(F)C1 AMY6159 [0,1,0,1,0,0|2,0,0]=4 501 B6R1.5 NC1CC(N)C1 AM85963 [0,1,0,1,0,0|2,0,0]=4 502 B6R1.5 NC1CC(O)C1 AM20070560 [0,1,0,1,0,0|1,1,0]=4 503 B6R1.5 NC1CC(O)C1 AM20070615 [0,1,0,1,0,0|1,1,0]=4 504 B6R1.5 N[C@H]1C[C@@H](F)C1 AMY34065 [0,1,0,1,0,0|2,0,0]=4 505 B6R1.5 N[C@H]1C[C@@H](N)C1 AMY34052 [0,1,0,1,0,0|2,0,0]=4 506 B6R1.5 N[C@H]1C[C@@H](O)C1 AM807002 [0,1,0,1,0,0|1,1,0]=4 507 B6R1.5 N[C@H]1C[C@H](F)C1 AMY34300 [0,1,0,1,0,0|2,0,0]=4 508 B6R1.5 N[C@H]1C[C@H](O)C1 AM807001 [0,1,0,1,0,0|1,1,0]=4 509 B6R1.5 N[C@H]1C[C@H](O)C1 AMY11818 [0,1,0,1,0,0|1,1,0]=4 510 B6R1.5 OC1CC(F)C1 AMY33730 [0,1,0,1,0,0|1,1,0]=4 511 B6R1.5 O[C@H]1C[C@H](F)C1 AMY34301 [0,1,0,1,0,0|1,1,0]=4 512 B6R1.8 CC1CC1CN AM806562 [0,1,0,1,0,0|2,0,0]=4 513 B6R1.8 CC1CC1CO AM804126 [0,1,0,1,0,0|1,1,0]=4 514 B6R1.8 OC[C@@H]1C[C@@H]1F AMY5785 [0,1,0,1,0,0|1,1,0]=4 515 B6R1.10 CC1(N)CCC1 AM808140 [0,1,0,1,0,0|2,0,0]=4 516 B6R1.10 CC1(N)CCC1 AMY1785 [0,1,0,1,0,0|2,0,0]=4 517 B6R1.11 C[C@H](N)C1CC1 AM804149 [0,1,0,1,0,0|2,0,0]=4 518 B6R1.11 C[C@H](N)C1CC1 AM806511 [0,1,0,1,0,0|2,0,0]=4 519 B6R1.11 C[C@H](O)C1CC1 AM804334 [0,1,0,1,0,0|1,1,0]=4 520 B6R1.1 C1=CCCCC1 AMY17792 [0,1,0,1,0,0|2,0,0]=4 521 B6R1.1 C1=CCNCC1 AMY5955 [0,1,0,1,0,0|2,0,0]=4 522 B6R1.1 C1=CCOCC1 AM9907 [0,1,0,1,0,0|2,0,0]=4 523 B6R1.1 C1=CCSCC1 AMY37369 [0,1,0,1,0,0|1,0,1]=4 524 B6R1.1 C1=COCCC1 AMY39440 [0,1,0,1,0,0|1,1,0]=4 525 B6R1.1 C1=NCCCN1 AMY22014 [0,1,0,1,0,0|2,0,0]=4 526 B6R1.1 C1CCCCC1 AMY11047 [0,1,0,1,0,0|2,0,0]=4 527 B6R1.1 C1CCNCC1 AMY40816 [0,1,0,1,0,0|2,0,0]=4 528 B6R1.1 C1CCNNC1 AMY19957 [0,1,0,1,0,0|2,0,0]=4 529 B6R1.1 C1CCOCC1 AMY8873 [0,1,0,1,0,0|1,1,0]=4 530 B6R1.1 C1CCONC1 AM804032 [0,1,0,1,0,0|1,1,0]=4 531 B6R1.1 C1CCONC1 AMY42463 [0,1,0,1,0,0|1,1,0]=4 532 B6R1.1 C1CNCOC1 AMY28616 [0,1,0,1,0,0|1,1,0]=4 533 B6R1.1 C1COCCN1 AMY14878 [0,1,0,1,0,0|1,1,0]=4 534 B6R1.1 C1COCCN1 AMY22834 [0,1,0,1,0,0|1,1,0]=4 535 B6R1.1 C1COCCN1 AMY721 [0,1,0,1,0,0|1,1,0]=4 536 B6R1.1 C1COCCO1 AMY33329 [0,1,0,1,0,0|1,1,0]=4 537 B6R1.1 C1CSCCN1 AM807014 [0,1,0,1,0,0|1,0,0]=3 538 B6R1.1 C1CSCCO1 AMY25585 [0,1,0,1,0,0|1,0,0]=3 539 B6R1.6 BrCC1CCC1 AM20070598 [0,1,0,1,0,0|2,0,0]=4 540 B6R1.6 BrCC1COC1 AM807116 [0,1,0,1,0,0|1,1,0]=4 541 B6R1.6 BrC[C@H]1CCO1 AM20020056 [0,1,0,1,0,0|1,1,0]=4 542 B6R1.6 CSC1CNC1 AM20080315 [0,1,0,1,0,0|2,0,0]=4 543 B6R1.6 ClCC1CCC1 AMY31015 [0,1,0,1,0,0|2,0,0]=4 544 B6R1.6 ClCC1COC1 AM807016 [0,1,0,1,0,0|1,1,0]=4 545 B6R1.6 ClC[C@H]1CCO1 AM807017 [0,1,0,1,0,0|1,1,0]=4 546 B6R1.6 ICC1CCC1 AMY34464 [0,1,0,1,0,0|2,0,0]=4 547 B6R1.6 ICC1COC1 AM807382 [0,1,0,1,0,0|1,1,0]=4 548 B6R1.6 IC[C@H]1CCO1 AM20020012 [0,1,0,1,0,0|1,1,0]=4 549 B6R1.6 N#CC1CCC1 AM20070614 [0,1,0,1,0,0|2,0,0]=4 550 B6R1.6 N#C[C@H]1CCN1 AMY35836 [0,1,0,1,0,0|2,0,0]=4 551 B6R1.6 NCC1CCC1 AM20070613 [0,1,0,1,0,0|2,0,0]=4 552 B6R1.6 NCC1COC1 AM20020041 [0,1,0,1,0,0|1,1,0]=4 553 B6R1.6 NC[C@H]1CCN1 AM20070687 [0,1,0,1,0,0|2,0,0]=4 554 B6R1.6 NC[C@H]1CCO1 AM20020052 [0,1,0,1,0,0|1,1,0]=4 555 B6R1.6 NNC1CCC1 AM9769 [0,1,0,1,0,0|2,0,0]=4 556 B6R1.6 NNC1CCC1 AM9783 [0,1,0,1,0,0|2,0,0]=4 557 B6R1.6 O=CC1CCC1 AM90197 [0,1,0,1,0,0|1,1,0]=4 558 B6R1.6 OCC1CCC1 AM90211 [0,1,0,1,0,0|1,1,0]=4 559 B6R1.6 OCC1CNC1 AM20120333 [0,1,0,1,0,0|1,1,0]=4 560 B6R1.6 OCC1CNC1 AMY6173 [0,1,0,1,0,0|1,1,0]=4 561 B6R1.6 OCC1COC1 AM806983 [0,1,0,1,0,0|0,2,0]=4 562 B6R1.6 OC[C@H]1CCO1 AM807004 [0,1,0,1,0,0|0,2,0]=4 563 B6R1.7 CC1(CN)CC1 AM806561 [0,1,0,1,0,0|2,0,0]=4 564 B6R1.7 CC1(CN)CC1 AMY19193 [0,1,0,1,0,0|2,0,0]=4 565 B6R1.7 CC1(CO)CC1 AM803621 [0,1,0,1,0,0|1,1,0]=4 566 B6R1.7 C[C@]1(CO)CO1 AM806634 [0,1,0,1,0,0|0,2,0]=4 567 B6R1.7 C[C@]1(CO)CO1 AM85933 [0,1,0,1,0,0|0,2,0]=4 568 B6R1.7 NC1(CO)CC1 AM81133 [0,1,0,1,0,0|1,1,0]=4 569 B6R1.7 NC1(CO)CC1 AMY5592 [0,1,0,1,0,0|1,1,0]=4 570 B6R1.7 NCC1(F)CC1 AMY202003206 [0,1,0,1,0,0|2,0,0]=4 571 B6R1.7 NCC1(O)CC1 AM804312 [0,1,0,1,0,0|2,0,0]=4