0 B6R0.6 C#CCCCSC m_62__875850__17850946 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.6 C#CCCSCC m_62__875846__18060662 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCSCCC m_7__22986886__6266 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C#CCSCCN m_7__20871276__6266 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C#CCSCCO m_7__128807__6266 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 C/C=C/CCSC m_62__23858414__876088 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.6 C=CCCCSC m_62__875850__16929012 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.6 C=CCCNCC m_270004__11969962__24715004 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.6 C=CCCSCC m_62__875846__9875548 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.6 C=CCSCCC m_62__875778__8363982 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 C=CCSCCF m_7__22987946__22320828 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.6 C=CCSCCN m_7__20871276__3427024 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.6 C=CCSCCO m_7__22987946__102708 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.6 C=CCSCOC m_7__22987946__6762 [0,0,0,0,0,0|2,1,1]=4 14 B6R0.6 C=CCSCSC m_7__22987946__10542644 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.6 CC#CCSCC m_62__875846__8844818 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.6 CC=CCSCC m_62__4275932__6469026 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.6 CCC#CCSC m_7__20984246__5046 [0,0,0,0,0,0|1,0,2]=3 18 B6R0.6 CCCC=NOC m_4__461206__7831606 [0,0,0,0,0,0|2,1,1]=4 19 B6R0.6 CCCCC=NO m_4__388124__7831600 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.6 CCCCCSC m_62__5063390__876088 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.6 CCCCNCC m_270004__8289202__24715004 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.6 CCCCSCC m_7__22987770__770176 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.6 CCCSCC#N m_7__22986886__5055 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.6 CCCSCCC m_62__875778__875868 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.6 CCCSCCF m_7__22986886__22320828 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.6 CCCSCCN m_7__20871276__14390332 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.6 CCCSCCO m_7__22986886__102708 [0,0,0,0,0,0|2,0,0]=2 28 B6R0.6 CCCSCOC m_7__22986886__6762 [0,0,0,0,0,0|2,1,0]=3 29 B6R0.6 CCCSCSC m_7__22986886__10542644 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.6 CCNCCC#N m_270004__23839874__24715004 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.6 CCNCCCF m_270004__17065596__24715004 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.6 CCNCCCO m_270004__8288584__24715004 [0,0,0,0,0,0|2,0,0]=2 33 B6R0.6 CCNCCOC m_270004__8288600__24715004 [0,0,0,0,0,0|2,1,0]=3 34 B6R0.6 CCNCCSC m_7__22986872__5046 [0,0,0,0,0,0|2,0,0]=2 35 B6R0.6 CCOCCSC m_62__204255__876088 [0,0,0,0,0,0|2,0,0]=2 36 B6R0.6 CCOCSCC m_7__22987770__10176980 [0,0,0,0,0,0|4,0,0]=4 37 B6R0.6 CCSCC=NO m_4__388124__10542484 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.6 CCSCCC#N m_7__10953802__5047 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.6 CCSCCCF m_7__22987770__16896928 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.6 CCSCCCN m_7__20871288__5047 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.6 CCSCCCO m_7__22987770__6354 [0,0,0,0,0,0|2,0,0]=2 42 B6R0.6 CCSCCNC m_7__22986920__5047 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.6 CCSCCOC m_62__875846__8623480 [0,0,0,0,0,0|2,1,0]=3 44 B6R0.6 CCSCCSC m_7__8765656__5046 [0,0,0,0,0,0|2,0,0]=2 45 B6R0.6 CCSCSCC m_7__22987770__9456150 [0,0,0,0,0,0|4,0,0]=4 46 B6R0.6 COCCCSC m_62__9108898__876088 [0,0,0,0,0,0|2,0,0]=2 47 B6R0.6 COCSCCO m_7__128807__6762 [0,0,0,0,0,0|1,1,0]=2 48 B6R0.6 CSCC#CCO m_62__875850__15141012 [0,0,0,0,0,0|0,0,2]=2 49 B6R0.6 CSCCC=NO m_4__388124__7831604 [0,0,0,0,0,0|1,0,1]=2 50 B6R0.6 CSCCCC#N m_62__875850__9273958 [0,0,0,0,0,0|1,0,1]=2 51 B6R0.6 CSCCCCF m_62__10157914__876088 [0,0,0,0,0,0|1,0,0]=1 52 B6R0.6 CSCCCCN m_34__20871448__7119628 [0,0,0,0,0,0|1,0,0]=1 53 B6R0.6 CSCCCCO m_7__22849690__5046 [0,0,0,0,0,0|0,0,0]=0 54 B6R0.6 CSCCCON m_7__22987730__5046 [0,0,0,0,0,0|2,0,0]=2 55 B6R0.6 CSCCCSC m_7__10890048__5046 [0,0,0,0,0,0|2,0,0]=2 56 B6R0.6 CSCSCCO m_7__128807__10542644 [0,0,0,0,0,0|1,0,0]=1 57 B6R0.6 N#CCSCCN m_7__20871276__5055 [0,0,0,0,0,0|4,0,0]=4 58 B6R0.6 N#CCSCCO m_7__128807__5055 [0,0,0,0,0,0|3,0,0]=3 59 B6R0.6 NCCSCCF m_7__20871276__22320828 [0,0,0,0,0,0|4,0,0]=4 60 B6R0.6 NCCSCCO m_7__20871276__6166114 [0,0,0,0,0,0|3,0,0]=3 61 B6R0.6 OCCSCCF m_7__128807__22320828 [0,0,0,0,0,0|3,0,0]=3 62 B6R0.6 OCCSCCO m_7__128807__102708 [0,0,0,0,0,0|3,0,0]=3 63 B5R0.2 C#CCCSC m_62__875850__18060662 [1,0,0,0,0,0|0,0,2]=3 64 B5R0.2 C#CCSCC m_7__22987770__6266 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.2 C=CCCSC m_62__875850__9875548 [1,0,0,0,0,0|0,0,2]=3 66 B5R0.2 C=CCNCC m_270004__9143632__24715004 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.2 C=CCSCC m_62__875846__8363982 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.2 CC#CCSC m_62__875850__8844818 [1,0,0,0,0,0|0,0,2]=3 69 B5R0.2 CC=CCSC m_62__4275932__876088 [1,0,0,0,0,0|0,0,2]=3 70 B5R0.2 CCC=NOC m_34__17309904__7119628 [1,0,0,0,0,0|1,1,1]=4 71 B5R0.2 CCCC=NO m_4__388124__7831606 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.2 CCCCSC m_62__875776__876088 [1,0,0,0,0,0|0,0,0]=1 73 B5R0.2 CCCNCC m_270004__8288780__24715004 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.2 CCCSCC m_62__875778__6469026 [1,0,0,0,0,0|2,0,0]=3 75 B5R0.2 CCNCCO m_270004__8349608__24715004 [1,0,0,0,0,0|1,0,0]=2 76 B5R0.2 CCSCC#N m_7__22987770__5055 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.2 CCSCCF m_7__22987770__22320828 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.2 CCSCCN m_7__20871276__5047 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.2 CCSCCO m_7__22987770__102708 [1,0,0,0,0,0|1,0,0]=2 80 B5R0.2 CCSCOC m_7__22987770__6762 [1,0,0,0,0,0|1,1,0]=3 81 B5R0.2 CCSCSC m_7__22987770__10542644 [1,0,0,0,0,0|1,0,0]=2 82 B5R0.2 CNCCSC m_7__22986920__5046 [1,0,0,0,0,0|1,0,0]=2 83 B5R0.2 COCCSC m_62__524272__876088 [1,0,0,0,0,0|1,0,0]=2 84 B5R0.2 CSC/C=C\Br m_7__22544354__5046 [1,0,0,0,0,0|1,0,2]=4 85 B5R0.2 CSCCC#N m_7__10953802__5046 [1,0,0,0,0,0|1,0,1]=3 86 B5R0.2 CSCCCN m_7__20871288__5046 [1,0,0,0,0,0|1,0,0]=2 87 B5R0.2 CSCCCO m_7__10972294__5046 [1,0,0,0,0,0|0,0,0]=1 88 B5R0.2 CSCCSC m_62__875850__8268572 [1,0,0,0,0,0|1,0,0]=2 89 B7R0.1 C#CCCCCSC m_62__875850__17318686 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.1 C#CCCCNCC m_270004__9228486__24715004 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.1 C#CCCCSCC m_62__875846__17850946 [0,1,0,0,0,0|1,0,1]=3 92 B7R0.1 C#CCCSCCC m_62__875778__18060662 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.1 C#CCCSCCN m_7__20871276__18060656 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.1 C#CCCSCCO m_62__18060672__10178562 [0,1,0,0,0,0|1,0,1]=3 95 B7R0.1 C#CCOCCSC m_62__875850__19973326 [0,1,0,0,0,0|1,0,1]=3 96 B7R0.1 C#CCOCSCC m_7__22987770__10548336 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.1 C#CCSCCCN m_7__20871288__6266 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.1 C#CCSCCCO m_7__10972294__6266 [0,1,0,0,0,0|1,0,1]=3 99 B7R0.1 C#CCSCCNC m_7__22986920__6266 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.1 C#CCSCCOC m_7__6362310__6266 [0,1,0,0,0,0|1,1,1]=4 101 B7R0.1 C/C=C/CCNCC m_270004__23849830__24715004 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.1 C/C=C/CCSCC m_62__23858414__6469026 [0,1,0,0,0,0|1,0,2]=4 103 B7R0.1 C=C=CCCSCC m_7__22987770__17309916 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.1 C=C=CCSCCO m_7__128807__22839656 [0,1,0,0,0,0|1,0,2]=4 105 B7R0.1 C=CC=CCCSC m_62__875850__12907968 [0,1,0,0,0,0|1,0,2]=4 106 B7R0.1 C=CCCCCSC m_62__875850__10744420 [0,1,0,0,0,0|1,0,0]=2 107 B7R0.1 C=CCCCNCC m_270004__8160850__17507834 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.1 C=CCCCSCC m_62__875846__16929012 [0,1,0,0,0,0|1,0,1]=3 109 B7R0.1 C=CCCSCCC m_62__875778__9875548 [0,1,0,0,0,0|2,0,1]=4 110 B7R0.1 C=CCCSCCN m_7__20871276__8929468 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.1 C=CCCSCCO m_62__9875552__10178562 [0,1,0,0,0,0|1,0,1]=3 112 B7R0.1 C=CCOCCSC m_62__875850__13774596 [0,1,0,0,0,0|1,0,1]=3 113 B7R0.1 C=CCOCSCC m_7__22987770__12361584 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.1 C=CCSCCCC m_7__22987946__770176 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.1 C=CCSCCCF m_7__22987946__16896928 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.1 C=CCSCCCN m_7__20871288__3427024 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.1 C=CCSCCCO m_7__22987946__6354 [0,1,0,0,0,0|1,0,1]=3 118 B7R0.1 C=CCSCCNC m_7__22986920__3427024 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.1 C=CCSCCOC m_62__524272__8363982 [0,1,0,0,0,0|1,1,1]=4 120 B7R0.1 C=CCSCCSC m_62__8363994__8268572 [0,1,0,0,0,0|1,0,1]=3 121 B7R0.1 C=CCSCSCC m_7__22987770__15703840 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.1 CC#CCCCSC m_62__875850__18185210 [0,1,0,0,0,0|1,0,1]=3 123 B7R0.1 CC#CCCNCC m_270004__8370714__24715004 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.1 CC#CCCSCC m_7__22987770__8803406 [0,1,0,0,0,0|1,0,2]=4 125 B7R0.1 CC#CCSCCC m_62__875778__8844818 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.1 CC#CCSCCF m_7__22987458__22320828 [0,1,0,0,0,0|2,0,1]=4 127 B7R0.1 CC#CCSCCN m_7__20871276__5631254 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.1 CC#CCSCCO m_7__22987458__102708 [0,1,0,0,0,0|1,0,1]=3 129 B7R0.1 CC#CCSCOC m_7__22987458__6762 [0,1,0,0,0,0|2,0,1]=4 130 B7R0.1 CC#CCSCSC m_7__22987458__10542644 [0,1,0,0,0,0|1,0,2]=4 131 B7R0.1 CC=CCCCSC m_62__16975676__876088 [0,1,0,0,0,0|1,0,1]=3 132 B7R0.1 CC=CCSCCC m_62__4275932__875868 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.1 CC=CCSCCO m_62__4275932__10178562 [0,1,0,0,0,0|1,0,1]=3 134 B7R0.1 CCC#CCSCC m_7__22987770__22599172 [0,1,0,0,0,0|1,0,2]=4 135 B7R0.1 CCC=CCCSC m_62__8859720__876088 [0,1,0,0,0,0|1,0,1]=3 136 B7R0.1 CCCCC=NOC m_4__461206__7831600 [0,1,0,0,0,0|1,1,1]=4 137 B7R0.1 CCCCCC=NO m_4__388124__7831628 [0,1,0,0,0,0|1,0,1]=3 138 B7R0.1 CCCCCCSC m_62__8854732__876088 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.1 CCCCCNCC m_270004__8288604__24715004 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.1 CCCCCSCC m_62__5063390__6469026 [0,1,0,0,0,0|1,0,0]=2 141 B7R0.1 CCCCSCCC m_7__22986886__770176 [0,1,0,0,0,0|2,0,0]=3 142 B7R0.1 CCCCSCCN m_7__20871276__131272 [0,1,0,0,0,0|2,0,0]=3 143 B7R0.1 CCCCSCCO m_7__128807__770176 [0,1,0,0,0,0|1,0,0]=2 144 B7R0.1 CCCNCCC#N m_273610__13857032__11515974 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.1 CCCOCCSC m_62__875850__15503588 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.1 CCCOCSCC m_7__22987770__12361582 [0,1,0,0,0,0|2,0,0]=3 147 B7R0.1 CCCSCCC#N m_7__10953802__14390332 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.1 CCCSCCCF m_7__22986886__16896928 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.1 CCCSCCCN m_7__20871288__14390332 [0,1,0,0,0,0|2,0,0]=3 150 B7R0.1 CCCSCCCO m_7__22986886__6354 [0,1,0,0,0,0|1,0,0]=2 151 B7R0.1 CCCSCCNC m_7__22986920__14390332 [0,1,0,0,0,0|2,0,0]=3 152 B7R0.1 CCCSCCOC m_62__875778__8623480 [0,1,0,0,0,0|1,1,0]=3 153 B7R0.1 CCCSCCSC m_62__875778__8268572 [0,1,0,0,0,0|1,0,0]=2 154 B7R0.1 CCCSCOCC m_7__22986886__10176980 [0,1,0,0,0,0|2,1,0]=4 155 B7R0.1 CCCSCSCC m_7__22986886__9456150 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.1 CCNCCCC#N m_270004__8685806__24715004 [0,1,0,0,0,0|2,0,1]=4 157 B7R0.1 CCNCCCCCl m_270004__8160850__24721168 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.1 CCNCCCCF m_270004__10390196__24715004 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.1 CCNCCCCO m_270004__9433178__24715004 [0,1,0,0,0,0|1,0,0]=2 160 B7R0.1 CCNCCCOC m_270004__8288582__24715004 [0,1,0,0,0,0|1,1,0]=3 161 B7R0.1 CCNCCCSC m_270004__8296868__24715004 [0,1,0,0,0,0|1,0,0]=2 162 B7R0.1 CCNCCOCC m_270004__8349722__24715004 [0,1,0,0,0,0|2,1,0]=4 163 B7R0.1 CCNCCSCC m_7__22986872__5047 [0,1,0,0,0,0|2,0,0]=3 164 B7R0.1 CCOCCC=NO m_4__388124__9447918 [0,1,0,0,0,0|1,1,1]=4 165 B7R0.1 CCOCCCSC m_62__5730880__876088 [0,1,0,0,0,0|1,0,0]=2 166 B7R0.1 CCOCCSCC m_62__204255__6469026 [0,1,0,0,0,0|2,0,0]=3 167 B7R0.1 CCOCSCCN m_7__20871276__10176980 [0,1,0,0,0,0|2,1,0]=4 168 B7R0.1 CCOCSCCO m_7__128807__10176980 [0,1,0,0,0,0|1,1,0]=3 169 B7R0.1 CCSCC#CCO m_62__875846__15141012 [0,1,0,0,0,0|0,0,2]=3 170 B7R0.1 CCSCC=CCO m_7__22987770__16809272 [0,1,0,0,0,0|0,0,2]=3 171 B7R0.1 CCSCCC=NO m_4__388124__8623944 [0,1,0,0,0,0|1,0,1]=3 172 B7R0.1 CCSCCCC#N m_62__875846__9273958 [0,1,0,0,0,0|1,0,1]=3 173 B7R0.1 CCSCCCCF m_62__875846__10157916 [0,1,0,0,0,0|1,0,0]=2 174 B7R0.1 CCSCCCCN m_34__20871448__7791662 [0,1,0,0,0,0|1,0,0]=2 175 B7R0.1 CCSCCCCO m_7__22987770__3191338 [0,1,0,0,0,0|0,0,0]=1 176 B7R0.1 CCSCCCOC m_62__875846__9108904 [0,1,0,0,0,0|1,1,0]=3 177 B7R0.1 CCSCCCON m_7__22987730__5047 [0,1,0,0,0,0|2,0,0]=3 178 B7R0.1 CCSCCCSC m_7__10890048__5047 [0,1,0,0,0,0|1,0,0]=2 179 B7R0.1 CCSCCSC#N m_7__22987770__15064758 [0,1,0,0,0,0|2,0,1]=4 180 B7R0.1 CCSCCSCC m_7__8765656__5047 [0,1,0,0,0,0|2,0,0]=3 181 B7R0.1 CCSCSCCN m_7__20871276__9456150 [0,1,0,0,0,0|2,0,0]=3 182 B7R0.1 CCSCSCCO m_7__128807__9456150 [0,1,0,0,0,0|1,0,0]=2 183 B7R0.1 CNCCCCC#N m_207__134027__23296152 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.1 CNCCSCC#N m_7__22986920__5055 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.1 CNCCSCCF m_7__22986920__22320828 [0,1,0,0,0,0|2,0,0]=3 186 B7R0.1 CNCCSCCO m_7__22986920__102708 [0,1,0,0,0,0|1,0,0]=2 187 B7R0.1 CNCCSCOC m_7__22986920__6762 [0,1,0,0,0,0|2,0,0]=3 188 B7R0.1 CNCCSCSC m_7__22986920__10542644 [0,1,0,0,0,0|2,0,0]=3 189 B7R0.1 COCCCC=NO m_4__388124__9044572 [0,1,0,0,0,0|0,1,1]=3 190 B7R0.1 COCCCCSC m_62__10159084__876088 [0,1,0,0,0,0|0,0,0]=1 191 B7R0.1 COCCSCC#N m_7__6362310__5055 [0,1,0,0,0,0|1,1,1]=4 192 B7R0.1 COCCSCCF m_7__6362310__22320828 [0,1,0,0,0,0|1,1,0]=3 193 B7R0.1 COCCSCCN m_7__20871276__149891 [0,1,0,0,0,0|1,1,0]=3 194 B7R0.1 COCCSCCO m_7__6362310__102708 [0,1,0,0,0,0|0,1,0]=2 195 B7R0.1 COCCSCOC m_7__6362310__6762 [0,1,0,0,0,0|1,1,0]=3 196 B7R0.1 COCCSCSC m_7__6362310__10542644 [0,1,0,0,0,0|1,0,0]=2 197 B7R0.1 COCSCCCO m_7__10972294__6762 [0,1,0,0,0,0|0,1,0]=2 198 B7R0.1 CON=CCCSC m_4__461206__7831604 [0,1,0,0,0,0|1,0,1]=3 199 B7R0.1 CSCCCC=NO m_4__388124__10542472 [0,1,0,0,0,0|0,0,1]=2 200 B7R0.1 CSCCCCC#N m_62__875850__7206752 [0,1,0,0,0,0|1,0,0]=2 201 B7R0.1 CSCCCCCF m_62__9984632__876088 [0,1,0,0,0,0|1,0,0]=2 202 B7R0.1 CSCCCCCN m_34__20871474__7119628 [0,1,0,0,0,0|1,0,0]=2 203 B7R0.1 CSCCNCCN m_34__20871452__7119628 [0,1,0,0,0,0|1,0,0]=2 204 B7R0.1 CSCCOCCF m_7__22988070__5046 [0,1,0,0,0,0|1,0,0]=2 205 B7R0.1 CSCCOCCN m_34__20871476__7119628 [0,1,0,0,0,0|1,0,0]=2 206 B7R0.1 CSCCOCCO m_62__875850__8799516 [0,1,0,0,0,0|0,0,0]=1 207 B7R0.1 CSCCSCCN m_7__20871276__7912552 [0,1,0,0,0,0|1,0,0]=2 208 B7R0.1 CSCCSCCO m_7__128807__7912552 [0,1,0,0,0,0|0,0,0]=1 209 B7R0.1 CSCSCCCO m_7__10972294__10542644 [0,1,0,0,0,0|0,0,0]=1 210 B7R0.1 N#CCCCC=NO m_4__388124__23296150 [0,1,0,0,0,0|2,0,1]=4 211 B7R0.1 N#CCCNCCF m_273610__13857118__11515974 [0,1,0,0,0,0|3,0,0]=4 212 B7R0.1 N#CCCNCCO m_273610__11554104__11515974 [0,1,0,0,0,0|2,0,0]=3 213 B7R0.1 N#CCCSCCF m_7__10953802__22320828 [0,1,0,0,0,0|3,0,0]=4 214 B7R0.1 N#CCCSCCN m_7__20871276__5102 [0,1,0,0,0,0|3,0,0]=4 215 B7R0.1 N#CCCSCCO m_7__10953802__6166114 [0,1,0,0,0,0|2,0,0]=3 216 B7R0.1 N#CCSCCCN m_7__20871288__5055 [0,1,0,0,0,0|3,0,0]=4 217 B7R0.1 N#CCSCCCO m_7__10972294__5055 [0,1,0,0,0,0|2,0,0]=3 218 B7R0.1 NCCCSCCF m_7__20871288__22320828 [0,1,0,0,0,0|3,0,0]=4 219 B7R0.1 NCCCSCCO m_7__20871288__6166114 [0,1,0,0,0,0|2,0,0]=3 220 B7R0.1 NCCSCCCF m_7__20871276__16896928 [0,1,0,0,0,0|3,0,0]=4 221 B7R0.1 NCCSCCCO m_7__20871276__6354 [0,1,0,0,0,0|2,0,0]=3 222 B7R0.1 OCCCSCCF m_7__10972294__22320828 [0,1,0,0,0,0|2,0,0]=3 223 B7R0.1 OCCCSCCO m_7__10972294__102708 [0,1,0,0,0,0|2,0,0]=3 224 B7R0.1 OCCSC/C=C\Br m_7__22544354__6166114 [0,1,0,0,0,0|2,0,1]=4 225 B7R0.1 OCCSCC=CCl m_7__128807__5103 [0,1,0,0,0,0|2,0,1]=4 226 B7R0.1 OCCSCCCF m_7__128807__16896928 [0,1,0,0,0,0|2,0,0]=3 227 B7R0.3 C#CCSC(C)CO m_7__6338928__6266 [0,1,0,0,0,0|2,0,1]=4 228 B7R0.3 C=C(CO)CSCC m_7__22987770__15422654 [0,1,0,0,0,0|2,0,1]=4 229 B7R0.3 C=CC(C)NCCO m_2230__22399842__6165700 [0,1,0,0,0,0|2,0,1]=4 230 B7R0.3 C=CCCC(C)NC m_269862__7193148__8751922 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.3 C=CCCC(C)SC m_62__875850__15565430 [0,1,0,0,0,0|1,0,1]=3 232 B7R0.3 C=CCN[C@H](C)CO m_2230__22399532__680312 [0,1,0,0,0,0|2,0,1]=4 233 B7R0.3 C=CCSC(C)CO m_7__6338928__3427024 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.3 CC(=NO)CCCO m_4__388124__10542364 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.3 CC(C#N)NCCO m_2230__22392276__6165700 [0,1,0,0,0,0|3,0,0]=4 236 B7R0.3 CC(C#N)SCCO m_7__128807__6057 [0,1,0,0,0,0|3,0,0]=4 237 B7R0.3 CC(CCl)NCCO m_2230__22399894__6165700 [0,1,0,0,0,0|3,0,0]=4 238 B7R0.3 CC(CO)NCCF m_269862__9706110__15157990 [0,1,0,0,0,0|3,0,0]=4 239 B7R0.3 CC(CO)NCCO m_269862__7193048__15157990 [0,1,0,0,0,0|3,0,0]=4 240 B7R0.3 CC(CO)SCC#N m_7__6338928__5055 [0,1,0,0,0,0|3,0,0]=4 241 B7R0.3 CC(CO)SCCF m_7__6338928__22320828 [0,1,0,0,0,0|3,0,0]=4 242 B7R0.3 CC(CO)SCCN m_7__20871276__17610454 [0,1,0,0,0,0|3,0,0]=4 243 B7R0.3 CC(CO)SCCO m_7__6338928__102708 [0,1,0,0,0,0|3,0,0]=4 244 B7R0.3 CCC(=O)NCCO m_270062__7594790__22005658 [0,1,0,0,0,0|2,0,1]=4 245 B7R0.3 CCC(=O)OCCO m_1458__473508__485506 [0,1,0,0,0,0|2,0,1]=4 246 B7R0.3 CCC(C)CCSC m_62__20058276__876088 [0,1,0,0,0,0|1,0,0]=2 247 B7R0.3 CCC(C)NCCF m_269862__9706110__7200134 [0,1,0,0,0,0|3,0,0]=4 248 B7R0.3 CCC(C)NCCO m_269862__7193048__7200134 [0,1,0,0,0,0|2,0,0]=3 249 B7R0.3 CCC(C)SCCN m_7__20871276__14247828 [0,1,0,0,0,0|3,0,0]=4 250 B7R0.3 CCC(C)SCCO m_7__128807__14247828 [0,1,0,0,0,0|2,0,0]=3 251 B7R0.3 CCC(O)CCSC m_62__16640708__876088 [0,1,0,0,0,0|1,0,0]=2 252 B7R0.3 CCCCC(=NO)C m_4__388124__66742 [0,1,0,0,0,0|2,0,1]=4 253 B7R0.3 CCCCC(=O)NC m_22__387492__303718 [0,1,0,0,0,0|2,0,1]=4 254 B7R0.3 CCCCC(=O)NO m_527__388132__156096 [0,1,0,0,0,0|2,0,1]=4 255 B7R0.3 CCCCC(=O)OC m_276436__14076652__14088340 [0,1,0,0,0,0|1,1,1]=4 256 B7R0.3 CCCCC(C)NC m_269862__7193148__7200136 [0,1,0,0,0,0|2,0,0]=3 257 B7R0.3 CCCCN(C)CC m_270004__8127976__24715004 [0,1,0,0,0,0|3,0,0]=4 258 B7R0.3 CCCCN(C)OC m_2230__679026__22993830 [0,1,0,0,0,0|2,1,0]=4 259 B7R0.3 CCCCS(=O)CC m_265282__10638440__4273536 [0,1,0,0,0,0|3,0,0]=4 260 B7R0.3 CCCNC(=O)CO m_22__58027__7941800 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.3 CCCNC(C)CC m_2230__22399526__13271112 [0,1,0,0,0,0|3,0,0]=4 262 B7R0.3 CCCNC(C)CCl m_2230__22399894__13271112 [0,1,0,0,0,0|3,0,0]=4 263 B7R0.3 CCCNC(C)CO m_269862__7192572__15157990 [0,1,0,0,0,0|2,0,0]=3 264 B7R0.3 CCCN[C@H](C)CF m_2230__22399906__13271112 [0,1,0,0,0,0|3,0,0]=4 265 B7R0.3 CCCN[C@H](C)CN m_269982__22505378__13271120 [0,1,0,0,0,0|3,0,0]=4 266 B7R0.3 CCCN[C@H](C)CO m_2230__22399532__13271112 [0,1,0,0,0,0|2,0,0]=3 267 B7R0.3 CCCSC(C)CC m_7__22986886__14247828 [0,1,0,0,0,0|3,0,0]=4 268 B7R0.3 CCCSC(C)CO m_7__6338928__14390332 [0,1,0,0,0,0|2,0,0]=3 269 B7R0.3 CCCS[C@@H](C)CN m_7__20871330__14390332 [0,1,0,0,0,0|3,0,0]=4 270 B7R0.3 CCN(C)CCCF m_2230__22407906__2463448 [0,1,0,0,0,0|3,0,0]=4 271 B7R0.3 CCN(C)CCCN m_269982__21673718__14064228 [0,1,0,0,0,0|3,0,0]=4 272 B7R0.3 CCN(C)CCCO m_2230__6287314__2463448 [0,1,0,0,0,0|2,0,0]=3 273 B7R0.3 CCN(C)CCNC m_269982__10880304__7393392 [0,1,0,0,0,0|3,0,0]=4 274 B7R0.3 CCN(C)CCOC m_2230__10176424__2463448 [0,1,0,0,0,0|2,1,0]=4 275 B7R0.3 CCN(C)CCSC m_2230__11620998__2463448 [0,1,0,0,0,0|2,0,0]=3 276 B7R0.3 CCNCC(C)CC m_207__121480__7687310 [0,1,0,0,0,0|3,0,0]=4 277 B7R0.3 CCNCC(C)CO m_270004__8291276__24715004 [0,1,0,0,0,0|2,0,0]=3 278 B7R0.3 CCNCC(C)OC m_270004__9164178__24715004 [0,1,0,0,0,0|2,1,0]=4 279 B7R0.3 CCNCC(C)SC m_270004__8299206__24715004 [0,1,0,0,0,0|2,0,0]=3 280 B7R0.3 CCNCC(F)CO m_270004__17069732__24715004 [0,1,0,0,0,0|2,0,0]=3 281 B7R0.3 CCNCC(O)CC m_270004__24336106__24715004 [0,1,0,0,0,0|3,0,0]=4 282 B7R0.3 CCNCC(O)CF m_270004__13905838__24715004 [0,1,0,0,0,0|3,0,0]=4 283 B7R0.3 CCOCC(C)NC m_2230__22397432__2463448 [0,1,0,0,0,0|3,0,0]=4 284 B7R0.3 CCS(=O)CCCF m_265282__17315398__4273536 [0,1,0,0,0,0|3,0,0]=4 285 B7R0.3 CCS(=O)CCCO m_265282__10972298__4273536 [0,1,0,0,0,0|2,0,0]=3 286 B7R0.3 CCSCC(=O)SC m_7__22987770__19493736 [0,1,0,0,0,0|2,0,1]=4 287 B7R0.3 CCSCC(C)CC m_62__10709932__6469026 [0,1,0,0,0,0|3,0,0]=4 288 B7R0.3 CCSCC(C)CO m_7__6078536__5047 [0,1,0,0,0,0|2,0,0]=3 289 B7R0.3 CCSCC(C)OC m_62__875846__8738872 [0,1,0,0,0,0|2,1,0]=4 290 B7R0.3 CCSCC(F)CC m_62__9787600__6469026 [0,1,0,0,0,0|3,0,0]=4 291 B7R0.3 CCSCC(O)CC m_7__22988104__5047 [0,1,0,0,0,0|3,0,0]=4 292 B7R0.3 CCSCC(O)CF m_7__22987770__13890448 [0,1,0,0,0,0|3,0,0]=4 293 B7R0.3 CCSCC(O)CO m_7__22987770__3173190 [0,1,0,0,0,0|2,0,0]=3 294 B7R0.3 CCSC[C@@H](N)CC m_7__20871354__5047 [0,1,0,0,0,0|3,0,0]=4 295 B7R0.3 CNC(=NCCO)N m_264822__3499788__3499590 [0,1,0,0,0,0|2,0,1]=4 296 B7R0.3 CNC(=O)CCCF m_22__387492__12105272 [0,1,0,0,0,0|2,0,1]=4 297 B7R0.3 CNC(=O)CCCN m_240690__7355834__3025682 [0,1,0,0,0,0|2,0,1]=4 298 B7R0.3 CNC(=O)CCNO m_240690__7355834__21394576 [0,1,0,0,0,0|2,0,1]=4 299 B7R0.3 CNC(=O)CCSC m_22__387492__60462 [0,1,0,0,0,0|2,0,1]=4 300 B7R0.3 CNC(=O)NCCO m_68__23352732__22160886 [0,1,0,0,0,0|2,0,1]=4 301 B7R0.3 CNC(C)CCCN m_269982__22505332__14064228 [0,1,0,0,0,0|2,0,0]=3 302 B7R0.3 CNC(C)CCCO m_2230__22399382__2463448 [0,1,0,0,0,0|1,0,0]=2 303 B7R0.3 CNC(C)CCOC m_2230__22398948__2463448 [0,1,0,0,0,0|2,1,0]=4 304 B7R0.3 CNC(C)CCSC m_2230__22399620__2463448 [0,1,0,0,0,0|2,0,0]=3 305 B7R0.3 CNCCC(C)NC m_269982__22505202__14064228 [0,1,0,0,0,0|3,0,0]=4 306 B7R0.3 COC(=O)CCCF m_276436__14076652__14105870 [0,1,0,0,0,0|1,1,1]=4 307 B7R0.3 COC(=O)CCSC m_7__27270__5046 [0,1,0,0,0,0|2,0,1]=4 308 B7R0.3 COC(=O)NCCO m_282070__22205922__22151046 [0,1,0,0,0,0|1,1,1]=4 309 B7R0.3 COC(C)CCSC m_7__22987798__5046 [0,1,0,0,0,0|2,0,0]=3 310 B7R0.3 COCCC(=NO)C m_4__388124__10542422 [0,1,0,0,0,0|1,1,1]=4 311 B7R0.3 COCCC(=O)NO m_527__388132__2909592 [0,1,0,0,0,0|1,1,1]=4 312 B7R0.3 COCCC(C)SC m_62__6956438__876088 [0,1,0,0,0,0|2,0,0]=3 313 B7R0.3 COCSC(C)CO m_7__6338928__6762 [0,1,0,0,0,0|1,1,0]=3 314 B7R0.3 CON(C)CCCF m_2230__679026__16896936 [0,1,0,0,0,0|2,1,0]=4 315 B7R0.3 CON(C)CCCO m_2230__679026__680950 [0,1,0,0,0,0|1,1,0]=3 316 B7R0.3 CON(C)CCSC m_2230__679026__681390 [0,1,0,0,0,0|3,0,0]=4 317 B7R0.3 CSC(C)CCCO m_7__22988038__5046 [0,1,0,0,0,0|0,0,0]=1 318 B7R0.3 CSC(Cl)CCCBr m_62__23915478__876088 [0,1,0,0,0,0|1,0,0]=2 319 B7R0.3 CSCCC(=O)NN m_240690__7868478__7407438 [0,1,0,0,0,0|2,0,1]=4 320 B7R0.3 CSCCC(=O)NO m_527__388132__281994 [0,1,0,0,0,0|1,0,1]=3 321 B7R0.3 CSCSC(C)CO m_7__6338928__10542644 [0,1,0,0,0,0|1,0,0]=2 322 B7R0.3 C[C@@H](CN)SCCO m_7__20871330__6166114 [0,1,0,0,0,0|3,0,0]=4 323 B7R0.3 C[C@H](CF)NCCO m_2230__22399906__6165700 [0,1,0,0,0,0|3,0,0]=4 324 B7R0.3 C[C@H](CN)NCCO m_269982__22505378__10880280 [0,1,0,0,0,0|3,0,0]=4 325 B7R0.3 C[C@H](CO)NCC#N m_2230__22399532__680932 [0,1,0,0,0,0|3,0,0]=4 326 B7R0.3 C[C@H](CO)NCCF m_2230__22399532__22320836 [0,1,0,0,0,0|3,0,0]=4 327 B7R0.3 C[C@H](CO)NCCO m_2230__22399532__6165700 [0,1,0,0,0,0|3,0,0]=4 328 B7R0.3 NNC(=O)CCCO m_240690__7868478__24783370 [0,1,0,0,0,0|2,0,1]=4 329 B7R0.4 C#CCCCN(C)C m_2230__21228904__2463448 [0,1,0,0,0,0|2,0,1]=4 330 B7R0.4 C#CCSCC(C)O m_7__10953796__6266 [0,1,0,0,0,0|2,0,1]=4 331 B7R0.4 C=C(Br)CSCCO m_7__22602174__6166114 [0,1,0,0,0,0|2,0,1]=4 332 B7R0.4 C=C(C)CCCSC m_62__13608160__876088 [0,1,0,0,0,0|1,0,1]=3 333 B7R0.4 C=C(C)CCNCC m_270004__10740086__24715004 [0,1,0,0,0,0|3,0,0]=4 334 B7R0.4 C=C(C)CCSCC m_62__10158742__6469026 [0,1,0,0,0,0|3,0,0]=4 335 B7R0.4 C=C(C)CSCCC m_62__6464432__875868 [0,1,0,0,0,0|3,0,0]=4 336 B7R0.4 C=C(C)CSCCN m_7__20871276__5949 [0,1,0,0,0,0|3,0,0]=4 337 B7R0.4 C=C(C)CSCCO m_62__6464432__10178562 [0,1,0,0,0,0|2,0,0]=3 338 B7R0.4 C=C(Cl)CSCCO m_62__11986394__10178562 [0,1,0,0,0,0|2,0,1]=4 339 B7R0.4 C=C(F)CSCCO m_62__17849116__10178562 [0,1,0,0,0,0|2,0,1]=4 340 B7R0.4 C=C(I)CSCCO m_62__18682538__10178562 [0,1,0,0,0,0|2,0,1]=4 341 B7R0.4 C=CCCCN(C)C m_2230__13768422__2463448 [0,1,0,0,0,0|2,0,1]=4 342 B7R0.4 C=CCNCC(C)O m_273610__13857020__11516404 [0,1,0,0,0,0|2,0,1]=4 343 B7R0.4 C=CCSCC(C)O m_7__10953796__3427024 [0,1,0,0,0,0|2,0,1]=4 344 B7R0.4 CC(=O)CSCCO m_7__128807__5065 [0,1,0,0,0,0|2,0,0]=3 345 B7R0.4 CC(=O)NCCCCl m_11__22168212__53455 [0,1,0,0,0,0|3,0,0]=4 346 B7R0.4 CC(=O)NCCCF m_270062__17065598__15585492 [0,1,0,0,0,0|3,0,0]=4 347 B7R0.4 CC(=O)NCCCN m_270006__11615278__8404996 [0,1,0,0,0,0|3,0,0]=4 348 B7R0.4 CC(=O)NCCCO m_270062__7600302__15585492 [0,1,0,0,0,0|2,0,0]=3 349 B7R0.4 CC(=O)NOCCO m_270062__21889572__15585492 [0,1,0,0,0,0|3,0,0]=4 350 B7R0.4 CC(=O)OCCCF m_1458__473186__16896934 [0,1,0,0,0,0|3,0,0]=4 351 B7R0.4 CC(=O)OCCCI m_1458__473186__8624952 [0,1,0,0,0,0|3,0,0]=4 352 B7R0.4 CC(=O)OCCCO m_1458__473186__484772 [0,1,0,0,0,0|2,0,0]=3 353 B7R0.4 CC(C)CCC=NO m_4__388124__10542476 [0,1,0,0,0,0|2,0,1]=4 354 B7R0.4 CC(C)CNCCF m_207__18491578__121216 [0,1,0,0,0,0|3,0,0]=4 355 B7R0.4 CC(C)CNCCO m_207__121484__121216 [0,1,0,0,0,0|2,0,0]=3 356 B7R0.4 CC(C)CSCCF m_7__27301__22320828 [0,1,0,0,0,0|3,0,0]=4 357 B7R0.4 CC(C)CSCCN m_7__20871276__1010132 [0,1,0,0,0,0|3,0,0]=4 358 B7R0.4 CC(C)CSCCO m_7__27301__102708 [0,1,0,0,0,0|2,0,0]=3 359 B7R0.4 CC(C)NCCCF m_269862__17065594__7204804 [0,1,0,0,0,0|3,0,0]=4 360 B7R0.4 CC(C)NCCCO m_269862__7192678__7204804 [0,1,0,0,0,0|2,0,0]=3 361 B7R0.4 CC(C)SCCCN m_7__20871288__5048 [0,1,0,0,0,0|3,0,0]=4 362 B7R0.4 CC(C)SCCCO m_7__10972294__5048 [0,1,0,0,0,0|2,0,0]=3 363 B7R0.4 CC(F)CSCCN m_7__20871276__16970746 [0,1,0,0,0,0|3,0,0]=4 364 B7R0.4 CC(F)CSCCO m_7__128807__16970746 [0,1,0,0,0,0|2,0,0]=3 365 B7R0.4 CC(O)CNCCF m_273610__13857118__11516404 [0,1,0,0,0,0|3,0,0]=4 366 B7R0.4 CC(O)CNCCO m_273610__11554104__11516404 [0,1,0,0,0,0|2,0,0]=3 367 B7R0.4 CC(O)CSCC#N m_7__10953796__5055 [0,1,0,0,0,0|3,0,0]=4 368 B7R0.4 CC(O)CSCCF m_7__10953796__22320828 [0,1,0,0,0,0|3,0,0]=4 369 B7R0.4 CC(O)CSCCN m_7__20871276__10902704 [0,1,0,0,0,0|3,0,0]=4 370 B7R0.4 CC(O)CSCCO m_7__10953796__102708 [0,1,0,0,0,0|2,0,0]=3 371 B7R0.4 CCCCCC(=O)N m_22__58357__294124 [0,1,0,0,0,0|1,0,2]=4 372 B7R0.4 CCCCCN(C)C m_2230__22407254__2463448 [0,1,0,0,0,0|2,0,0]=3 373 B7R0.4 CCCCCS(=O)C m_265282__8271846__4273530 [0,1,0,0,0,0|1,0,1]=3 374 B7R0.4 CCCCNC(=O)C m_270062__7594820__15585492 [0,1,0,0,0,0|3,0,0]=4 375 B7R0.4 CCCCNC(C)C m_269862__7192636__7204804 [0,1,0,0,0,0|3,0,0]=4 376 B7R0.4 CCCCOC(=O)C m_276436__14076536__14088324 [0,1,0,0,0,0|3,0,0]=4 377 B7R0.4 CCCCSC(C)C m_62__2390328__7021588 [0,1,0,0,0,0|3,0,0]=4 378 B7R0.4 CCCNCC(C)C m_207__109413__121216 [0,1,0,0,0,0|3,0,0]=4 379 B7R0.4 CCCNCC(C)O m_273610__13857032__11516404 [0,1,0,0,0,0|2,0,0]=3 380 B7R0.4 CCCSCC(=O)C m_7__22986886__5065 [0,1,0,0,0,0|3,0,0]=4 381 B7R0.4 CCCSCC(=O)O m_7__26823__14390332 [0,1,0,0,0,0|2,0,1]=4 382 B7R0.4 CCCSCC(C)C m_62__1010136__875868 [0,1,0,0,0,0|3,0,0]=4 383 B7R0.4 CCCSCC(C)F m_62__875778__16913488 [0,1,0,0,0,0|3,0,0]=4 384 B7R0.4 CCCSCC(C)O m_7__10953796__14390332 [0,1,0,0,0,0|2,0,0]=3 385 B7R0.4 CCCSCC(F)F m_7__22986886__16886816 [0,1,0,0,0,0|3,0,0]=4 386 B7R0.4 CCCSC[C@H](C)N m_7__20871336__14390332 [0,1,0,0,0,0|3,0,0]=4 387 B7R0.4 CCNCCC(C)C m_207__121480__134014 [0,1,0,0,0,0|3,0,0]=4 388 B7R0.4 CCNCCC(C)F m_270004__10546066__24715004 [0,1,0,0,0,0|3,0,0]=4 389 B7R0.4 CCNCCC(C)O m_270004__8296476__24715004 [0,1,0,0,0,0|2,0,0]=3 390 B7R0.4 CCNCCC(Cl)Cl m_270004__23845876__24715004 [0,1,0,0,0,0|3,0,0]=4 391 B7R0.4 CCNCCC(F)F m_270004__13943058__24715004 [0,1,0,0,0,0|3,0,0]=4 392 B7R0.4 CCNCCN(C)C m_270004__9143630__24715004 [0,1,0,0,0,0|3,0,0]=4 393 B7R0.4 CCNCCS(=O)C m_270004__8296826__24715004 [0,1,0,0,0,0|2,0,1]=4 394 B7R0.4 CCOCCN(C)C m_2230__8253658__2463448 [0,1,0,0,0,0|3,0,0]=4 395 B7R0.4 CCONCC(C)O m_273610__11517342__11516404 [0,1,0,0,0,0|3,0,0]=4 396 B7R0.4 CCSCCC(=O)C m_7__22987770__107330 [0,1,0,0,0,0|3,0,0]=4 397 B7R0.4 CCSCCC(C)C m_62__7021584__6469026 [0,1,0,0,0,0|3,0,0]=4 398 B7R0.4 CCSCCC(C)F m_62__13165346__6469026 [0,1,0,0,0,0|3,0,0]=4 399 B7R0.4 CCSCCC(C)N m_34__20871470__7791662 [0,1,0,0,0,0|3,0,0]=4 400 B7R0.4 CCSCCC(C)O m_62__12057938__6469026 [0,1,0,0,0,0|2,0,0]=3 401 B7R0.4 CCSCCC(F)F m_7__22986868__5047 [0,1,0,0,0,0|3,0,0]=4 402 B7R0.4 CCSCCN(C)C m_7__22987770__391100 [0,1,0,0,0,0|3,0,0]=4 403 B7R0.4 CCSCCS(=O)C m_7__22987770__11566584 [0,1,0,0,0,0|2,0,1]=4 404 B7R0.4 CN(C)CCCCO m_2230__9209606__2463448 [0,1,0,0,0,0|1,0,0]=2 405 B7R0.4 CNCCCC(=O)N m_270006__8381712__11615860 [0,1,0,0,0,0|1,0,2]=4 406 B7R0.4 CNCCCC(C)C m_207__134027__7912414 [0,1,0,0,0,0|2,0,0]=3 407 B7R0.4 CNCCCN(C)C m_269982__10972426__14064228 [0,1,0,0,0,0|3,0,0]=4 408 B7R0.4 CNCCSC(C)C m_7__22986920__5048 [0,1,0,0,0,0|3,0,0]=4 409 B7R0.4 COCCCC(=O)N m_22__58357__872478 [0,1,0,0,0,0|0,1,2]=4 410 B7R0.4 COCCCN(C)C m_2230__2067964__2463448 [0,1,0,0,0,0|2,1,0]=4 411 B7R0.4 COCCCS(=O)C m_265282__14913760__4273530 [0,1,0,0,0,0|1,1,1]=4 412 B7R0.4 COCCNC(C)C m_269862__7192698__7204804 [0,1,0,0,0,0|2,1,0]=4 413 B7R0.4 COCCSC(C)C m_62__2390328__8623480 [0,1,0,0,0,0|2,1,0]=4 414 B7R0.4 COCSCC(C)C m_7__27301__6762 [0,1,0,0,0,0|2,1,0]=4 415 B7R0.4 COCSCC(C)O m_7__10953796__6762 [0,1,0,0,0,0|1,1,0]=3 416 B7R0.4 COCSCC(F)F m_7__22987700__6762 [0,1,0,0,0,0|2,1,0]=4 417 B7R0.4 CSCCC=C(C)C m_62__12121620__876088 [0,1,0,0,0,0|1,0,2]=4 418 B7R0.4 CSCCCC(=O)N m_22__58357__5135670 [0,1,0,0,0,0|0,0,2]=3 419 B7R0.4 CSCCCC(C)C m_62__10892842__876088 [0,1,0,0,0,0|1,0,0]=2 420 B7R0.4 CSCCCC(Cl)Cl m_62__875850__23915480 [0,1,0,0,0,0|1,0,0]=2 421 B7R0.4 CSCCCC(F)F m_62__875850__18239798 [0,1,0,0,0,0|1,0,0]=2 422 B7R0.4 CSCCCN(C)C m_7__15765946__5046 [0,1,0,0,0,0|2,0,0]=3 423 B7R0.4 CSCCNC(=N)N m_58668__11946702__2227896 [0,1,0,0,0,0|2,0,1]=4 424 B7R0.4 CSCCNC(=O)C m_270062__16414418__15585492 [0,1,0,0,0,0|1,0,2]=4 425 B7R0.4 CSCCNC(=O)N m_2554__11946694__788524 [0,1,0,0,0,0|1,0,2]=4 426 B7R0.4 CSCCNC(C)C m_269862__11963794__7204804 [0,1,0,0,0,0|2,0,0]=3 427 B7R0.4 CSCCOC(=O)C m_276436__14078554__14088324 [0,1,0,0,0,0|1,0,2]=4 428 B7R0.4 CSCCOC(C)C m_62__3569224__876088 [0,1,0,0,0,0|2,0,0]=3 429 B7R0.4 CSCCOC(F)F m_62__13445082__876088 [0,1,0,0,0,0|2,0,0]=3 430 B7R0.4 CSCCSC(C)C m_62__2390328__8268572 [0,1,0,0,0,0|2,0,0]=3 431 B7R0.4 CSCSCC(C)C m_7__27301__10542644 [0,1,0,0,0,0|2,0,0]=3 432 B7R0.4 CSCSCC(C)O m_7__10953796__10542644 [0,1,0,0,0,0|1,0,0]=2 433 B7R0.4 CSCSCC(F)F m_7__22987700__10542644 [0,1,0,0,0,0|2,0,0]=3 434 B7R0.4 C[C@H](N)CSCCF m_7__20871336__22320828 [0,1,0,0,0,0|3,0,0]=4 435 B7R0.4 C[C@H](N)CSCCO m_7__20871336__6166114 [0,1,0,0,0,0|2,0,0]=3 436 B7R0.4 N=C(N)NCCCO m_58668__2550716__2227896 [0,1,0,0,0,0|3,0,0]=4 437 B7R0.4 NC(=O)CCCCCl m_22__58357__7592952 [0,1,0,0,0,0|3,0,0]=4 438 B7R0.4 NC(=O)CCCCF m_22__58357__15414764 [0,1,0,0,0,0|3,0,0]=4 439 B7R0.4 NC(=O)CSCCO m_7__10975714__6166114 [0,1,0,0,0,0|3,0,0]=4 440 B7R0.4 NC(=O)NCCCO m_2554__897396__788524 [0,1,0,0,0,0|3,0,0]=4 441 B7R0.4 NCCCCC(=O)N m_270006__8381712__11615982 [0,1,0,0,0,0|3,0,0]=4 442 B7R0.4 O=C(O)CSCCO m_7__26823__6166114 [0,1,0,0,0,0|3,0,0]=4 443 B7R0.4 OCCSCC(F)F m_7__22987700__102708 [0,1,0,0,0,0|3,0,0]=4 444 B7R0.7 C=CCN(C)CCO m_2230__5001112__2463448 [0,1,0,0,0,0|2,0,1]=4 445 B7R0.7 C=CCS(=O)CCO m_265282__7088216__13192766 [0,1,0,0,0,0|2,0,1]=4 446 B7R0.7 CCCC(C)C=NO m_4__388124__7831624 [0,1,0,0,0,0|2,0,1]=4 447 B7R0.7 CCCC(C)NCC m_2230__22397382__22383854 [0,1,0,0,0,0|3,0,0]=4 448 B7R0.7 CCCC(C)SCC m_62__875846__10638528 [0,1,0,0,0,0|3,0,0]=4 449 B7R0.7 CCCN(C)CCC m_2230__2261920__13271112 [0,1,0,0,0,0|3,0,0]=4 450 B7R0.7 CCCN(C)CCF m_2230__2261920__22320836 [0,1,0,0,0,0|3,0,0]=4 451 B7R0.7 CCCN(C)CCN m_269982__10894792__13271120 [0,1,0,0,0,0|3,0,0]=4 452 B7R0.7 CCCN(C)CCO m_2230__2261920__6165700 [0,1,0,0,0,0|2,0,0]=3 453 B7R0.7 CCNC(=O)CCO m_487__150428__12879784 [0,1,0,0,0,0|2,0,1]=4 454 B7R0.7 CCNC(=O)CSC m_62__875850__81303 [0,1,0,0,0,0|2,0,1]=4 455 B7R0.7 CCNC(C)CCN m_269982__22505446__7393392 [0,1,0,0,0,0|3,0,0]=4 456 B7R0.7 CCNC(C)CCO m_2230__22400640__22383854 [0,1,0,0,0,0|2,0,0]=3 457 B7R0.7 CCNC(C)CNC m_269982__22505308__7393392 [0,1,0,0,0,0|3,0,0]=4 458 B7R0.7 CCNC(C)COC m_270004__8160850__8844972 [0,1,0,0,0,0|2,1,0]=4 459 B7R0.7 CCNC(C)CSC m_2230__22400632__22383854 [0,1,0,0,0,0|2,0,0]=3 460 B7R0.7 CCN[C@@H](C)CCO m_270004__13469994__24715004 [0,1,0,0,0,0|2,0,0]=3 461 B7R0.7 CCN[C@@H](C)CSC m_270004__23847226__24715004 [0,1,0,0,0,0|2,0,0]=3 462 B7R0.7 CCN[C@H](C)CCF m_2230__22404666__22383854 [0,1,0,0,0,0|3,0,0]=4 463 B7R0.7 CCN[C@H](C)COC m_2230__22399844__22383854 [0,1,0,0,0,0|2,1,0]=4 464 B7R0.7 CCOC(=O)CSC m_7__27132__5046 [0,1,0,0,0,0|2,0,1]=4 465 B7R0.7 CCSC(C)CCO m_7__22987770__14772890 [0,1,0,0,0,0|2,0,0]=3 466 B7R0.7 CCSC(C)COC m_7__22987770__6339266 [0,1,0,0,0,0|2,1,0]=4 467 B7R0.7 CN(CC#N)CCO m_2230__3014482__6165700 [0,1,0,0,0,0|3,0,0]=4 468 B7R0.7 CN(CCN)CCO m_269982__22515300__14439794 [0,1,0,0,0,0|3,0,0]=4 469 B7R0.7 CN(CCO)CCF m_2230__679202__22320836 [0,1,0,0,0,0|3,0,0]=4 470 B7R0.7 CN(CCO)CCO m_2230__679202__6165700 [0,1,0,0,0,0|3,0,0]=4 471 B7R0.7 COCC(C)CSC m_7__20064958__5046 [0,1,0,0,0,0|2,0,0]=3 472 B7R0.7 CON=C(C)CCO m_4__461206__6671990 [0,1,0,0,0,0|1,1,1]=4 473 B7R0.7 CON=C(N)CCO m_34__8845210__7119628 [0,1,0,0,0,0|1,1,1]=4 474 B7R1.1 CCN1CCCC1 m_2230__678722__22383854 [0,0,0,1,0,0|3,0,0]=4 475 B7R1.1 CNC1CCCC1 m_207__134027__121596 [0,0,0,1,0,0|2,0,0]=3 476 B7R1.1 CSC1CC=CC1 m_62__875850__16736522 [0,0,0,1,0,0|1,0,2]=4 477 B7R1.1 CSC1CCCC1 m_62__875850__10178584 [0,0,0,1,0,0|1,0,0]=2 478 B7R1.1 CSC1CCOC1 m_62__875850__10903820 [0,0,0,1,0,0|2,0,0]=3 479 B7R1.1 CSC1CCSC1 m_7__15266840__5046 [0,0,0,1,0,0|2,0,0]=3 480 B7R1.1 CS[C@H]1CCNC1 m_7__22987620__5046 [0,0,0,1,0,0|2,0,0]=3 481 B7R1.1 ON=C1CCCC1 m_4__388124__66759 [0,0,0,1,0,0|2,0,1]=4 482 B7R1.1 ON=C1CCOC1 m_4__388124__4712660 [0,0,0,1,0,0|1,1,1]=4 483 B7R1.3 CN1CCCC=N1 m_2230__22595168__2463448 [0,0,0,1,0,0|2,0,1]=4 484 B7R1.3 CN1CCCCC1 m_2230__679042__2463448 [0,0,0,1,0,0|2,0,0]=3 485 B7R1.3 CN1CCNCC1 m_269982__7368754__14064228 [0,0,0,1,0,0|3,0,0]=4 486 B7R1.3 CN1CCOCC1 m_2230__665308__2463448 [0,0,0,1,0,0|3,0,0]=4 487 B7R1.3 CN1CCSCC1 m_2230__848268__2463448 [0,0,0,1,0,0|3,0,0]=4 488 B7R1.4 CC1CCCN1C m_2230__6338494__2463448 [0,0,0,1,0,0|2,0,0]=3 489 B7R1.5 CC1CC1C=NO m_4__388124__7048186 [0,0,0,1,0,0|2,0,1]=4 490 B7R1.5 CCNC1CC1C m_270004__8294846__24715004 [0,0,0,1,0,0|3,0,0]=4 491 B7R1.5 CSCC1CC1C m_62__12216592__876088 [0,0,0,1,0,0|1,0,0]=2 492 B7R1.5 CSC[C@@H]1C[C@H]1C m_62__875850__23861442 [0,0,0,1,0,0|1,0,0]=2 493 B7R1.6 CCNC1COC1 m_269862__7865270__7931470 [0,0,0,1,0,0|2,1,0]=4 494 B7R1.6 CCNC1CSC1 m_270004__13270386__24715004 [0,0,0,1,0,0|2,0,0]=3 495 B7R1.6 CCSC1CCC1 m_7__10684076__5047 [0,0,0,1,0,0|3,0,0]=4 496 B7R1.6 CCSC1CNC1 m_7__22987816__5047 [0,0,0,1,0,0|3,0,0]=4 497 B7R1.6 CCSC1COC1 m_7__13420946__5047 [0,0,0,1,0,0|2,1,0]=4 498 B7R1.6 CCSC1CSC1 m_7__20064714__5047 [0,0,0,1,0,0|2,0,0]=3 499 B7R1.6 CNCC1COC1 m_207__134027__22332602 [0,0,0,1,0,0|2,1,0]=4 500 B7R1.6 CSCC1CCC1 m_62__6007776__876088 [0,0,0,1,0,0|1,0,0]=2 501 B7R1.6 CSCC1COC1 m_62__875850__16613884 [0,0,0,1,0,0|2,0,0]=3 502 B7R1.6 ON=CC1COC1 m_4__388124__22332600 [0,0,0,1,0,0|1,1,1]=4 503 B7R1.7 CCCSC1CC1 m_7__22986886__16761930 [0,0,0,1,0,0|3,0,0]=4 504 B7R1.7 CCNCC1CC1 m_207__121480__2989440 [0,0,0,1,0,0|3,0,0]=4 505 B7R1.7 CCSCC1CC1 m_62__875846__7141822 [0,0,0,1,0,0|3,0,0]=4 506 B7R1.7 CCSCC1CS1 m_7__22987770__22787476 [0,0,0,1,0,0|2,0,0]=3 507 B7R1.7 COCSC1CC1 m_7__22987858__6762 [0,0,0,1,0,0|2,1,0]=4 508 B7R1.7 CSCCC1CC1 m_62__875850__9143162 [0,0,0,1,0,0|1,0,0]=2 509 B7R1.7 CSCSC1CC1 m_7__22987858__10542644 [0,0,0,1,0,0|2,0,0]=3 510 B7R1.7 FCCSC1CC1 m_7__22987858__22320828 [0,0,0,1,0,0|3,0,0]=4 511 B7R1.7 NCCSC1CC1 m_7__20871276__16761930 [0,0,0,1,0,0|3,0,0]=4 512 B7R1.7 OCCSC1CC1 m_7__22987858__102708 [0,0,0,1,0,0|2,0,0]=3 513 B7R1.8 CCN1CC[C@H]1C m_270004__24224170__24715004 [0,0,0,1,0,0|3,0,0]=4 514 B7R1.8 CN1CCC1CO m_2230__13428546__2463448 [0,0,0,1,0,0|1,0,0]=2 515 B7R1.8 CSC1CCC1O m_7__22986908__5046 [0,0,0,1,0,0|0,0,0]=1 516 B4R0.2 C=CCSC m_62__875850__8363982 [2,0,0,0,0,0|0,0,2]=4 517 B4R0.2 CCCSC m_62__875778__876088 [2,0,0,0,0,0|0,0,0]=2 518 B4R0.2 CCNCC m_270004__8160850__24715004 [2,0,0,0,0,0|1,0,0]=3 519 B4R0.2 CCSCC m_62__875846__6469026 [2,0,0,0,0,0|1,0,0]=3 520 B4R0.2 CSCCN m_7__20871276__5046 [2,0,0,0,0,0|1,0,0]=3 521 B4R0.2 CSCCO m_62__875850__10178562 [2,0,0,0,0,0|0,0,0]=2 522 B6R0.1 C=C(CC)CSC m_62__8265146__876088 [1,1,0,0,0,0|0,0,1]=3 523 B6R0.1 C=CC(C)CSC m_62__23815404__876088 [1,1,0,0,0,0|0,0,2]=4 524 B6R0.1 CC#CC(C)SC m_62__875850__22381654 [1,1,0,0,0,0|0,0,2]=4 525 B6R0.1 CCC(C)C=NO m_4__388124__7831622 [1,1,0,0,0,0|1,0,1]=4 526 B6R0.1 CCC(C)CNC m_207__134027__7687310 [1,1,0,0,0,0|1,0,0]=3 527 B6R0.1 CCC(C)CSC m_62__10709932__876088 [1,1,0,0,0,0|0,0,0]=2 528 B6R0.1 CCC(F)CSC m_62__9787600__876088 [1,1,0,0,0,0|0,0,0]=2 529 B6R0.1 CCC(O)CSC m_7__22988104__5046 [1,1,0,0,0,0|0,0,0]=2 530 B6R0.1 CCCC(=NO)C m_4__388124__67539 [1,1,0,0,0,0|1,0,1]=4 531 B6R0.1 CCCC(=O)NC m_270062__7630660__17814498 [1,1,0,0,0,0|1,0,1]=4 532 B6R0.1 CCCC(=O)NO m_527__388132__156097 [1,1,0,0,0,0|1,0,1]=4 533 B6R0.1 CCCC(=O)OC m_276436__14076652__14088342 [1,1,0,0,0,0|0,1,1]=4 534 B6R0.1 CCCC(C)NC m_269862__7193148__7200560 [1,1,0,0,0,0|1,0,0]=3 535 B6R0.1 CCCC(C)SC m_62__875850__10638528 [1,1,0,0,0,0|0,0,0]=2 536 B6R0.1 CCCN(C)CC m_2230__2261920__22383854 [1,1,0,0,0,0|2,0,0]=4 537 B6R0.1 CCCN(C)OC m_2230__679026__13271112 [1,1,0,0,0,0|1,1,0]=4 538 B6R0.1 CCN(C)CCF m_2230__17607486__2463448 [1,1,0,0,0,0|2,0,0]=4 539 B6R0.1 CCN(C)CCN m_269982__10894792__7393392 [1,1,0,0,0,0|2,0,0]=4 540 B6R0.1 CCN(C)CCO m_2230__3225026__2463448 [1,1,0,0,0,0|1,0,0]=3 541 B6R0.1 CCNC(=O)CO m_22__57815__7941800 [1,1,0,0,0,0|1,0,1]=4 542 B6R0.1 CCNC(C)CC m_269862__7865270__7200134 [1,1,0,0,0,0|2,0,0]=4 543 B6R0.1 CCNC(C)CCl m_2230__22399894__22383854 [1,1,0,0,0,0|2,0,0]=4 544 B6R0.1 CCNC(C)CF m_270004__10214060__24715004 [1,1,0,0,0,0|2,0,0]=4 545 B6R0.1 CCNC(C)CO m_269862__7865270__15157990 [1,1,0,0,0,0|1,0,0]=3 546 B6R0.1 CCN[C@H](C)CF m_270004__13811084__24715004 [1,1,0,0,0,0|2,0,0]=4 547 B6R0.1 CCN[C@H](C)CN m_269982__22505378__7393392 [1,1,0,0,0,0|2,0,0]=4 548 B6R0.1 CCN[C@H](C)CO m_2230__22399532__22383854 [1,1,0,0,0,0|1,0,0]=3 549 B6R0.1 CCS(=O)CCO m_265282__7088216__4273536 [1,1,0,0,0,0|1,0,0]=3 550 B6R0.1 CCSC(C)CC m_7__22987770__14247828 [1,1,0,0,0,0|2,0,0]=4 551 B6R0.1 CCSC(C)CO m_7__6338928__5047 [1,1,0,0,0,0|1,0,0]=3 552 B6R0.1 CCS[C@@H](C)CN m_7__20871330__5047 [1,1,0,0,0,0|2,0,0]=4 553 B6R0.1 CC[C@H](N)CSC m_7__20871354__5046 [1,1,0,0,0,0|0,0,0]=2 554 B6R0.1 CNC(=O)CCO m_487__150425__12879784 [1,1,0,0,0,0|1,0,1]=4 555 B6R0.1 CNC(=O)CSC m_62__875850__81300 [1,1,0,0,0,0|1,0,1]=4 556 B6R0.1 CNC(C)CCN m_269982__22505446__14064228 [1,1,0,0,0,0|2,0,0]=4 557 B6R0.1 CNC(C)CCO m_2230__22400640__2463448 [1,1,0,0,0,0|1,0,0]=3 558 B6R0.1 CNC(C)CSC m_269862__7193148__16464016 [1,1,0,0,0,0|1,0,0]=3 559 B6R0.1 CNCC(C)NC m_269982__22505308__14064228 [1,1,0,0,0,0|2,0,0]=4 560 B6R0.1 CN[C@H](C)CCF m_2230__22404666__2463448 [1,1,0,0,0,0|2,0,0]=4 561 B6R0.1 CN[C@H](C)COC m_2230__22399844__2463448 [1,1,0,0,0,0|1,1,0]=4 562 B6R0.1 COC(=O)CSC m_7__29561__5046 [1,1,0,0,0,0|1,0,1]=4 563 B6R0.1 COC(C)CSC m_62__8635200__876088 [1,1,0,0,0,0|1,0,0]=3 564 B6R0.1 COCC(C)SC m_62__6339274__876088 [1,1,0,0,0,0|1,0,0]=3 565 B6R0.1 CON(C)CCO m_2230__9111768__2463448 [1,1,0,0,0,0|1,1,0]=4 566 B6R0.1 CSC(C)CCO m_7__5819074__5046 [1,1,0,0,0,0|0,0,0]=2 567 B6R0.1 CSCC(=NO)C m_4__388124__15781872 [1,1,0,0,0,0|1,0,1]=4 568 B6R0.1 CSCC(=O)NO m_527__388132__237535 [1,1,0,0,0,0|1,0,1]=4 569 B6R0.1 CSCC(C)CO m_7__6078536__5046 [1,1,0,0,0,0|0,0,0]=2 570 B6R0.1 CSCC(O)CO m_7__6554250__5046 [1,1,0,0,0,0|0,0,0]=2 571 B6R0.4 C=C(Br)CCSC m_62__15782476__876088 [1,1,0,0,0,0|0,0,2]=4 572 B6R0.4 C=C(C)CCSC m_62__10158742__876088 [1,1,0,0,0,0|0,0,1]=3 573 B6R0.4 C=C(C)CSCC m_62__6464432__6469026 [1,1,0,0,0,0|2,0,0]=4 574 B6R0.4 CC(=O)NCCO m_270062__7594790__15585492 [1,1,0,0,0,0|1,0,1]=4 575 B6R0.4 CC(=O)OCCO m_1458__473186__485506 [1,1,0,0,0,0|1,0,1]=4 576 B6R0.4 CC(C)CC=NO m_4__388124__286510 [1,1,0,0,0,0|1,0,1]=4 577 B6R0.4 CC(C)NCCF m_269862__9706110__7204804 [1,1,0,0,0,0|2,0,0]=4 578 B6R0.4 CC(C)NCCO m_269862__7193048__7204804 [1,1,0,0,0,0|1,0,0]=3 579 B6R0.4 CC(C)SCCN m_7__20871276__5048 [1,1,0,0,0,0|2,0,0]=4 580 B6R0.4 CC(C)SCCO m_62__2390328__10178562 [1,1,0,0,0,0|1,0,0]=3 581 B6R0.4 CCCCC(=O)N m_22__58357__303718 [1,1,0,0,0,0|0,0,2]=4 582 B6R0.4 CCCCN(C)C m_2230__665312__2463448 [1,1,0,0,0,0|1,0,0]=3 583 B6R0.4 CCCCS(=O)C m_265282__10638440__4273530 [1,1,0,0,0,0|0,0,1]=3 584 B6R0.4 CCCNC(=O)C m_270062__7595096__15585492 [1,1,0,0,0,0|2,0,0]=4 585 B6R0.4 CCCOC(=O)C m_276436__14076550__14088324 [1,1,0,0,0,0|2,0,0]=4 586 B6R0.4 CCCSC(C)C m_62__2390328__875868 [1,1,0,0,0,0|2,0,0]=4 587 B6R0.4 CCNCC(C)C m_207__121480__121216 [1,1,0,0,0,0|2,0,0]=4 588 B6R0.4 CCNCC(C)F m_270004__13461138__24715004 [1,1,0,0,0,0|2,0,0]=4 589 B6R0.4 CCNCC(C)O m_270004__8288774__24715004 [1,1,0,0,0,0|1,0,0]=3 590 B6R0.4 CCNCC(F)Br m_270004__23851146__24715004 [1,1,0,0,0,0|2,0,0]=4 591 B6R0.4 CCNCC(F)Cl m_270004__21631482__24715004 [1,1,0,0,0,0|2,0,0]=4 592 B6R0.4 CCNCC(F)F m_270004__10150310__24715004 [1,1,0,0,0,0|2,0,0]=4 593 B6R0.4 CCSCC(=O)C m_7__22987770__5065 [1,1,0,0,0,0|2,0,0]=4 594 B6R0.4 CCSCC(=O)O m_7__26823__5047 [1,1,0,0,0,0|1,0,1]=4 595 B6R0.4 CCSCC(C)C m_62__1010136__6469026 [1,1,0,0,0,0|2,0,0]=4 596 B6R0.4 CCSCC(C)F m_62__875846__16913488 [1,1,0,0,0,0|2,0,0]=4 597 B6R0.4 CCSCC(C)O m_7__10953796__5047 [1,1,0,0,0,0|1,0,0]=3 598 B6R0.4 CCSCC(F)F m_7__22987770__16886816 [1,1,0,0,0,0|2,0,0]=4 599 B6R0.4 CCSC[C@H](C)N m_7__20871336__5047 [1,1,0,0,0,0|2,0,0]=4 600 B6R0.4 CN(C)CCCF m_2230__13040470__2463448 [1,1,0,0,0,0|2,0,0]=4 601 B6R0.4 CN(C)CCCN m_269982__11965286__14064228 [1,1,0,0,0,0|2,0,0]=4 602 B6R0.4 CN(C)CCCO m_2230__9787816__2463448 [1,1,0,0,0,0|1,0,0]=3 603 B6R0.4 CNCCC(C)C m_207__134027__134014 [1,1,0,0,0,0|1,0,0]=3 604 B6R0.4 CNCCN(C)C m_269982__10880304__14064228 [1,1,0,0,0,0|2,0,0]=4 605 B6R0.4 COCCN(C)C m_2230__2013888__2463448 [1,1,0,0,0,0|1,1,0]=4 606 B6R0.4 CS(=O)CCCF m_265282__17315398__4273530 [1,1,0,0,0,0|1,0,1]=4 607 B6R0.4 CS(=O)CCCO m_265282__10972298__4273530 [1,1,0,0,0,0|0,0,1]=3 608 B6R0.4 CSCC=C(C)C m_62__12201838__876088 [1,1,0,0,0,0|0,0,2]=4 609 B6R0.4 CSCCC(=O)N m_62__875850__593690 [1,1,0,0,0,0|0,0,2]=4 610 B6R0.4 CSCCC(C)C m_62__7021584__876088 [1,1,0,0,0,0|0,0,0]=2 611 B6R0.4 CSCCC(C)F m_62__13165346__876088 [1,1,0,0,0,0|0,0,0]=2 612 B6R0.4 CSCCC(C)N m_34__20871470__7119628 [1,1,0,0,0,0|0,0,0]=2 613 B6R0.4 CSCCC(C)O m_62__12057938__876088 [1,1,0,0,0,0|0,0,0]=2 614 B6R0.4 CSCCC(F)F m_7__22986868__5046 [1,1,0,0,0,0|1,0,0]=3 615 B6R0.4 CSCCN(C)C m_7__6950568__5046 [1,1,0,0,0,0|1,0,0]=3 616 B8R0.1 C#CCC(C)NCCO m_2230__22400136__6165700 [0,2,0,0,0,0|1,0,1]=4 617 B8R0.1 C#CCC(C)SCCO m_7__128807__23842164 [0,2,0,0,0,0|1,0,1]=4 618 B8R0.1 C#CCCN(C)CCO m_2230__679202__9420240 [0,2,0,0,0,0|1,0,1]=4 619 B8R0.1 C#CCCS(=O)CCO m_265282__7088216__18060670 [0,2,0,0,0,0|1,0,1]=4 620 B8R0.1 C#CCSC(C)CCO m_7__5819074__6266 [0,2,0,0,0,0|1,0,1]=4 621 B8R0.1 C=CCC(C)NCCO m_2230__22399836__6165700 [0,2,0,0,0,0|1,0,1]=4 622 B8R0.1 C=CCC(C)SCCO m_7__128807__12913704 [0,2,0,0,0,0|1,0,1]=4 623 B8R0.1 C=CCCC(C)SCC m_62__875846__15565430 [0,2,0,0,0,0|1,0,1]=4 624 B8R0.1 C=CCCN(C)CCO m_2230__679202__8929530 [0,2,0,0,0,0|1,0,1]=4 625 B8R0.1 C=CCN(C)CCCO m_2230__9044904__680950 [0,2,0,0,0,0|1,0,1]=4 626 B8R0.1 C=CCN(C)CCSC m_2230__9044904__681390 [0,2,0,0,0,0|1,0,1]=4 627 B8R0.1 C=CCNC(C)CCO m_2230__22400640__680312 [0,2,0,0,0,0|1,0,1]=4 628 B8R0.1 C=CCNC(C)CSC m_2230__22400632__680312 [0,2,0,0,0,0|1,0,1]=4 629 B8R0.1 C=CCS(=O)CCCO m_265282__10972298__13192766 [0,2,0,0,0,0|1,0,1]=4 630 B8R0.1 C=CCSC(C)CCO m_7__22987946__14772890 [0,2,0,0,0,0|1,0,1]=4 631 B8R0.1 CC#CC(C)SCCO m_62__22381652__10178562 [0,2,0,0,0,0|1,0,1]=4 632 B8R0.1 CC#CCN(C)CCO m_2230__679202__5581034 [0,2,0,0,0,0|1,0,1]=4 633 B8R0.1 CC(CC#N)NCCO m_2230__11757170__6165700 [0,2,0,0,0,0|2,0,0]=4 634 B8R0.1 CC(CCN)NCCO m_269982__22505446__10880280 [0,2,0,0,0,0|2,0,0]=4 635 B8R0.1 CC(CCO)NCC#N m_2230__22400640__680932 [0,2,0,0,0,0|2,0,0]=4 636 B8R0.1 CC(CCO)NCCF m_2230__22400640__22320836 [0,2,0,0,0,0|2,0,0]=4 637 B8R0.1 CC(CCO)NCCO m_2230__22400640__6165700 [0,2,0,0,0,0|2,0,0]=4 638 B8R0.1 CC(CCO)SCC#N m_7__5819074__5055 [0,2,0,0,0,0|2,0,0]=4 639 B8R0.1 CC(CCO)SCCF m_7__5819074__22320828 [0,2,0,0,0,0|2,0,0]=4 640 B8R0.1 CC(CCO)SCCN m_7__20871276__14772890 [0,2,0,0,0,0|2,0,0]=4 641 B8R0.1 CC(CCO)SCCO m_7__5819074__102708 [0,2,0,0,0,0|2,0,0]=4 642 B8R0.1 CC=CCN(C)CCO m_2230__679202__681024 [0,2,0,0,0,0|1,0,1]=4 643 B8R0.1 CC=CCS(=O)CCO m_265282__7088216__4272774 [0,2,0,0,0,0|1,0,1]=4 644 B8R0.1 CCCC(=O)CSCC m_7__22987770__22788358 [0,2,0,0,0,0|1,0,1]=4 645 B8R0.1 CCCC(=O)NCCO m_270062__7594790__17814498 [0,2,0,0,0,0|1,0,1]=4 646 B8R0.1 CCCC(=O)OCCO m_1458__473330__485506 [0,2,0,0,0,0|1,0,1]=4 647 B8R0.1 CCCC(C)CNCC m_270004__18902466__24715004 [0,2,0,0,0,0|2,0,0]=4 648 B8R0.1 CCCC(C)NCCF m_2230__22397382__22320836 [0,2,0,0,0,0|2,0,0]=4 649 B8R0.1 CCCC(C)NCCN m_272690__11349186__11346328 [0,2,0,0,0,0|2,0,0]=4 650 B8R0.1 CCCC(C)NCCO m_2230__22397382__6165700 [0,2,0,0,0,0|1,0,0]=3 651 B8R0.1 CCCC(C)SCCF m_7__14428530__22320828 [0,2,0,0,0,0|2,0,0]=4 652 B8R0.1 CCCC(C)SCCN m_7__20871276__6493860 [0,2,0,0,0,0|2,0,0]=4 653 B8R0.1 CCCC(C)SCCO m_7__14428530__102708 [0,2,0,0,0,0|1,0,0]=3 654 B8R0.1 CCCC(C)SCOC m_7__14428530__6762 [0,2,0,0,0,0|1,1,0]=4 655 B8R0.1 CCCC(C)SCSC m_7__14428530__10542644 [0,2,0,0,0,0|1,0,0]=3 656 B8R0.1 CCCC(O)CSCC m_7__22987770__15745978 [0,2,0,0,0,0|1,0,0]=3 657 B8R0.1 CCCCC(C)NCC m_2230__22399858__22383854 [0,2,0,0,0,0|2,0,0]=4 658 B8R0.1 CCCCN(C)CCC m_2230__2261920__22993830 [0,2,0,0,0,0|2,0,0]=4 659 B8R0.1 CCCCN(C)CCF m_2230__665312__22320836 [0,2,0,0,0,0|2,0,0]=4 660 B8R0.1 CCCCN(C)CCN m_269982__7368932__14439794 [0,2,0,0,0,0|2,0,0]=4 661 B8R0.1 CCCCN(C)CCO m_2230__3225028__2463448 [0,2,0,0,0,0|1,0,0]=3 662 B8R0.1 CCCN(C)CCCF m_2230__2261920__16896936 [0,2,0,0,0,0|2,0,0]=4 663 B8R0.1 CCCN(C)CCCN m_269982__11965286__13271120 [0,2,0,0,0,0|2,0,0]=4 664 B8R0.1 CCCN(C)CCCO m_2230__2261920__680950 [0,2,0,0,0,0|1,0,0]=3 665 B8R0.1 CCCN(C)CCNC m_269982__10880304__13271120 [0,2,0,0,0,0|2,0,0]=4 666 B8R0.1 CCCN(C)CCOC m_2230__2261920__666874 [0,2,0,0,0,0|1,1,0]=4 667 B8R0.1 CCCN(C)CCSC m_2230__2261920__681390 [0,2,0,0,0,0|1,0,0]=3 668 B8R0.1 CCCNC(=O)CCO m_487__150753__12879784 [0,2,0,0,0,0|1,0,1]=4 669 B8R0.1 CCCNC(=O)CSC m_62__875850__81313 [0,2,0,0,0,0|1,0,1]=4 670 B8R0.1 CCCNC(C)CCC m_269862__7192572__7200560 [0,2,0,0,0,0|2,0,0]=4 671 B8R0.1 CCCNC(C)CCN m_269982__22505446__13271120 [0,2,0,0,0,0|2,0,0]=4 672 B8R0.1 CCCNC(C)CCO m_2230__22400640__13271112 [0,2,0,0,0,0|1,0,0]=3 673 B8R0.1 CCCNC(C)CNC m_269982__22505308__13271120 [0,2,0,0,0,0|2,0,0]=4 674 B8R0.1 CCCNC(C)COC m_270004__8288780__8844972 [0,2,0,0,0,0|1,1,0]=4 675 B8R0.1 CCCNC(C)CSC m_269862__7192572__16464016 [0,2,0,0,0,0|1,0,0]=3 676 B8R0.1 CCCN[C@H](C)CCF m_2230__22404666__13271112 [0,2,0,0,0,0|2,0,0]=4 677 B8R0.1 CCCN[C@H](C)COC m_2230__22399844__13271112 [0,2,0,0,0,0|1,1,0]=4 678 B8R0.1 CCCSC(C)CCC m_62__875778__10638528 [0,2,0,0,0,0|2,0,0]=4 679 B8R0.1 CCCSC(C)CCO m_7__22986886__14772890 [0,2,0,0,0,0|1,0,0]=3 680 B8R0.1 CCCSC(C)COC m_7__22986886__6339266 [0,2,0,0,0,0|1,1,0]=4 681 B8R0.1 CCNC(=O)CCSC m_22__57815__60462 [0,2,0,0,0,0|1,0,1]=4 682 B8R0.1 CCNC(C)CCCCl m_270004__8160850__24722580 [0,2,0,0,0,0|2,0,0]=4 683 B8R0.1 CCNC(C)CCCN m_269982__22505332__7393392 [0,2,0,0,0,0|2,0,0]=4 684 B8R0.1 CCNC(C)CCCO m_2230__22399382__22383854 [0,2,0,0,0,0|1,0,0]=3 685 B8R0.1 CCNC(C)CCNC m_269982__22505202__7393392 [0,2,0,0,0,0|2,0,0]=4 686 B8R0.1 CCNC(C)CCOC m_2230__22398948__22383854 [0,2,0,0,0,0|1,1,0]=4 687 B8R0.1 CCNC(C)CCSC m_2230__22399620__22383854 [0,2,0,0,0,0|1,0,0]=3 688 B8R0.1 CCNCC(C)CCO m_270004__8297522__24715004 [0,2,0,0,0,0|1,0,0]=3 689 B8R0.1 CCNCC(C)COC m_270004__8292074__24715004 [0,2,0,0,0,0|1,1,0]=4 690 B8R0.1 CCNCC(F)COC m_270004__14051168__24715004 [0,2,0,0,0,0|1,1,0]=4 691 B8R0.1 CCNC[C@H](O)COC m_270004__9876842__24715004 [0,2,0,0,0,0|1,1,0]=4 692 B8R0.1 CCNC[C@H](O)CSC m_270004__24793750__24715004 [0,2,0,0,0,0|1,0,0]=3 693 B8R0.1 CCOC(=O)CCSC m_7__12427120__5046 [0,2,0,0,0,0|1,0,1]=4 694 B8R0.1 CCOC(C)SCCO m_7__128807__13420948 [0,2,0,0,0,0|1,1,0]=4 695 B8R0.1 CCSC(C)CCC#N m_7__22987770__9139798 [0,2,0,0,0,0|1,0,1]=4 696 B8R0.1 CCSC(C)CCCF m_7__22987770__19259364 [0,2,0,0,0,0|1,0,0]=3 697 B8R0.1 CCSC(C)CCCO m_7__22987770__10804146 [0,2,0,0,0,0|0,0,0]=2 698 B8R0.1 CCSC(C)CCOC m_62__875846__6956440 [0,2,0,0,0,0|1,1,0]=4 699 B8R0.1 CCSC(Cl)CCCBr m_62__23915478__6469026 [0,2,0,0,0,0|1,0,0]=3 700 B8R0.1 CCSCC(=CCO)C m_7__22987770__20765532 [0,2,0,0,0,0|0,0,2]=4 701 B8R0.1 CCSCC(C)COC m_7__20064958__5047 [0,2,0,0,0,0|1,1,0]=4 702 B8R0.1 CCSCC(O)COC m_7__22987770__17518060 [0,2,0,0,0,0|1,1,0]=4 703 B8R0.1 CCSC[C@H](O)CC#N m_7__22987770__10150454 [0,2,0,0,0,0|1,0,1]=4 704 B8R0.1 CN(CC#N)CCCO m_2230__3014482__680950 [0,2,0,0,0,0|2,0,0]=4 705 B8R0.1 CN(CCF)CCCO m_2230__9787816__22320836 [0,2,0,0,0,0|2,0,0]=4 706 B8R0.1 CN(CCN)CCCO m_269982__17669188__14439794 [0,2,0,0,0,0|2,0,0]=4 707 B8R0.1 CN(CCO)CCC#N m_2230__6737726__6165700 [0,2,0,0,0,0|2,0,0]=4 708 B8R0.1 CN(CCO)CCCF m_2230__13040470__6165700 [0,2,0,0,0,0|2,0,0]=4 709 B8R0.1 CN(CCO)CCCN m_269982__22515300__10880302 [0,2,0,0,0,0|2,0,0]=4 710 B8R0.1 CN(CCO)CCCO m_2230__4567078__2463448 [0,2,0,0,0,0|2,0,0]=4 711 B8R0.1 CNCC(=O)NCCO m_270006__8389422__9790496 [0,2,0,0,0,0|1,0,1]=4 712 B8R0.1 CNCC(C)NCCF m_269982__22505308__22320816 [0,2,0,0,0,0|2,0,0]=4 713 B8R0.1 CNCC(C)NCCN m_269982__22505308__14439794 [0,2,0,0,0,0|2,0,0]=4 714 B8R0.1 CNCC(C)NCCO m_269982__22505308__10880280 [0,2,0,0,0,0|1,0,0]=3 715 B8R0.1 CNCCN(C)CCF m_269982__10880304__22320816 [0,2,0,0,0,0|2,0,0]=4 716 B8R0.1 CNCCN(C)CCN m_269982__10880304__14439794 [0,2,0,0,0,0|2,0,0]=4 717 B8R0.1 CNCCN(C)CCO m_269982__10880304__10880280 [0,2,0,0,0,0|1,0,0]=3 718 B8R0.1 CNNC(=O)CCCO m_240690__21584010__24783370 [0,2,0,0,0,0|1,0,1]=4 719 B8R0.1 COCC(=CCSC)C m_62__13443008__876088 [0,2,0,0,0,0|0,0,2]=4 720 B8R0.1 COCC(=O)NCCO m_270062__7594790__15529360 [0,2,0,0,0,0|0,1,1]=4 721 B8R0.1 COCC(=O)OCCO m_1458__473580__485506 [0,2,0,0,0,0|0,1,1]=4 722 B8R0.1 COCC(C)NCCO m_270004__8349608__8844972 [0,2,0,0,0,0|0,1,0]=3 723 B8R0.1 COCC(C)SCCF m_7__22987942__22320828 [0,2,0,0,0,0|1,1,0]=4 724 B8R0.1 COCC(C)SCCO m_7__128807__6339266 [0,2,0,0,0,0|0,1,0]=3 725 B8R0.1 COCC(C)SCSC m_7__22987942__10542644 [0,2,0,0,0,0|1,0,0]=3 726 B8R0.1 COCCN(C)CCF m_2230__11976826__2463448 [0,2,0,0,0,0|1,1,0]=4 727 B8R0.1 COCCN(C)CCN m_269982__7369940__14439794 [0,2,0,0,0,0|1,1,0]=4 728 B8R0.1 COCCN(C)CCO m_2230__2991236__2463448 [0,2,0,0,0,0|0,1,0]=3 729 B8R0.1 COCCS(=O)CCO m_265282__7088216__16982414 [0,2,0,0,0,0|0,1,0]=3 730 B8R0.1 COCSC(C)CCO m_7__5819074__6762 [0,2,0,0,0,0|0,1,0]=3 731 B8R0.1 COCSC(C)COC m_7__22987942__6762 [0,2,0,0,0,0|1,1,0]=4 732 B8R0.1 COC[C@@H](C)NCCF m_2230__22399844__22320836 [0,2,0,0,0,0|1,1,0]=4 733 B8R0.1 COC[C@@H](C)NCCO m_2230__22399844__6165700 [0,2,0,0,0,0|0,1,0]=3 734 B8R0.1 CON=C(C)CCCO m_4__461206__10542364 [0,2,0,0,0,0|0,1,1]=4 735 B8R0.1 CONC(=O)CCSC m_22__461212__60462 [0,2,0,0,0,0|1,0,1]=4 736 B8R0.1 CSCC(=O)NCCF m_1626__22055678__513654 [0,2,0,0,0,0|1,0,1]=4 737 B8R0.1 CSCC(=O)NCCN m_270006__11615266__8408152 [0,2,0,0,0,0|1,0,1]=4 738 B8R0.1 CSCC(=O)NCCO m_527__154483__237535 [0,2,0,0,0,0|0,0,1]=3 739 B8R0.1 CSCC(C)NCC#N m_2230__22400632__680932 [0,2,0,0,0,0|1,0,1]=4 740 B8R0.1 CSCC(C)NCCF m_2230__22400632__22320836 [0,2,0,0,0,0|1,0,0]=3 741 B8R0.1 CSCC(C)NCCO m_2230__22400632__6165700 [0,2,0,0,0,0|0,0,0]=2 742 B8R0.1 CSCCN(C)CC#N m_2230__7207368__680932 [0,2,0,0,0,0|1,0,1]=4 743 B8R0.1 CSCCN(C)CCF m_2230__7207368__22320836 [0,2,0,0,0,0|1,0,0]=3 744 B8R0.1 CSCCN(C)CCN m_269982__17669680__14439794 [0,2,0,0,0,0|1,0,0]=3 745 B8R0.1 CSCCN(C)CCO m_2230__679202__681390 [0,2,0,0,0,0|0,0,0]=2 746 B8R0.1 CSCSC(C)CCO m_7__5819074__10542644 [0,2,0,0,0,0|0,0,0]=2 747 B8R0.1 C[C@H](CCF)NCCO m_2230__22404666__6165700 [0,2,0,0,0,0|2,0,0]=4 748 B8R0.4 C#CCCCCNCC m_270004__8160850__17825424 [0,2,0,0,0,0|2,0,0]=4 749 B8R0.4 C#CCCCCSCC m_62__875846__17318686 [0,2,0,0,0,0|1,0,0]=3 750 B8R0.4 C#CCCCSCC=C m_62__8363994__17850946 [0,2,0,0,0,0|1,0,1]=4 751 B8R0.4 C#CCCCSCCC m_62__875778__17850946 [0,2,0,0,0,0|1,0,1]=4 752 B8R0.4 C#CCCCSCCN m_7__20871276__10211628 [0,2,0,0,0,0|1,0,1]=4 753 B8R0.4 C#CCCCSCCO m_7__128807__10211628 [0,2,0,0,0,0|1,0,1]=4 754 B8R0.4 C#CCCSCCCC m_62__875776__18060662 [0,2,0,0,0,0|2,0,0]=4 755 B8R0.4 C#CCCSCCCO m_7__10972294__18060656 [0,2,0,0,0,0|1,0,1]=4 756 B8R0.4 C#CCCSCCNC m_7__22986920__18060656 [0,2,0,0,0,0|2,0,0]=4 757 B8R0.4 C#CCCSCCOC m_62__524272__18060662 [0,2,0,0,0,0|1,0,1]=4 758 B8R0.4 C#CCCSCCSC m_62__18060672__8268572 [0,2,0,0,0,0|1,0,0]=3 759 B8R0.4 C#CCOCCSCC m_62__875846__19973326 [0,2,0,0,0,0|1,0,1]=4 760 B8R0.4 C#CCOCSCCO m_7__128807__10548336 [0,2,0,0,0,0|1,0,1]=4 761 B8R0.4 C#CCSCCCCC m_7__8271838__6266 [0,2,0,0,0,0|1,0,0]=3 762 B8R0.4 C#CCSCCCCN m_7__20871294__6266 [0,2,0,0,0,0|1,0,0]=3 763 B8R0.4 C#CCSCCCCO m_7__22849690__6266 [0,2,0,0,0,0|0,0,0]=2 764 B8R0.4 C#CCSCCCOC m_7__17626136__6266 [0,2,0,0,0,0|1,0,1]=4 765 B8R0.4 C#CCSCCCON m_7__22987730__6266 [0,2,0,0,0,0|1,0,1]=4 766 B8R0.4 C#CCSCCCSC m_7__10890048__6266 [0,2,0,0,0,0|1,0,0]=3 767 B8R0.4 C#CCSCCNCC m_7__22986872__6266 [0,2,0,0,0,0|2,0,0]=4 768 B8R0.4 C#CCSCCSCC m_7__8765656__6266 [0,2,0,0,0,0|1,0,1]=4 769 B8R0.4 C/C=C/CCSCCC m_62__23858414__875868 [0,2,0,0,0,0|2,0,0]=4 770 B8R0.4 C/C=C/CCSCCN m_7__20871276__23858408 [0,2,0,0,0,0|2,0,0]=4 771 B8R0.4 C/C=C/CCSCCO m_62__23858414__10178562 [0,2,0,0,0,0|1,0,0]=3 772 B8R0.4 C=C=CCCSCCO m_7__128807__17309916 [0,2,0,0,0,0|1,0,1]=4 773 B8R0.4 C=C=CCSCCCO m_7__10972294__22839656 [0,2,0,0,0,0|1,0,1]=4 774 B8R0.4 C=CCCCCCSC m_62__875850__9433360 [0,2,0,0,0,0|1,0,0]=3 775 B8R0.4 C=CCCCCNCC m_270004__8925724__24715004 [0,2,0,0,0,0|2,0,0]=4 776 B8R0.4 C=CCCCCSCC m_62__875846__10744420 [0,2,0,0,0,0|1,0,0]=3 777 B8R0.4 C=CCCCNCCC m_270004__8288780__17507834 [0,2,0,0,0,0|2,0,0]=4 778 B8R0.4 C=CCCCNCCO m_270004__8349608__17507834 [0,2,0,0,0,0|1,0,1]=4 779 B8R0.4 C=CCCCSCC=C m_62__8363994__16929012 [0,2,0,0,0,0|1,0,1]=4 780 B8R0.4 C=CCCCSCCC m_62__875778__16929012 [0,2,0,0,0,0|1,0,1]=4 781 B8R0.4 C=CCCCSCCN m_7__20871276__16929008 [0,2,0,0,0,0|1,0,1]=4 782 B8R0.4 C=CCCCSCCO m_62__5064068__10178562 [0,2,0,0,0,0|1,0,1]=4 783 B8R0.4 C=CCCOCCSC m_62__875850__16613636 [0,2,0,0,0,0|1,0,0]=3 784 B8R0.4 C=CCCSCCCC m_62__875776__9875548 [0,2,0,0,0,0|2,0,0]=4 785 B8R0.4 C=CCCSCCCO m_7__10972294__8929468 [0,2,0,0,0,0|1,0,1]=4 786 B8R0.4 C=CCCSCCNC m_7__22986920__8929468 [0,2,0,0,0,0|2,0,0]=4 787 B8R0.4 C=CCCSCCOC m_62__524272__9875548 [0,2,0,0,0,0|1,0,1]=4 788 B8R0.4 C=CCCSCCSC m_62__9875552__8268572 [0,2,0,0,0,0|1,0,0]=3 789 B8R0.4 C=CCNCCCCCl m_270004__9143632__24721168 [0,2,0,0,0,0|2,0,0]=4 790 B8R0.4 C=CCNCCCOC m_270004__9143632__24710510 [0,2,0,0,0,0|1,0,1]=4 791 B8R0.4 C=CCNCCSCC m_270004__9143632__8765926 [0,2,0,0,0,0|1,0,1]=4 792 B8R0.4 C=CCOCCCSC m_62__875850__9479464 [0,2,0,0,0,0|1,0,0]=3 793 B8R0.4 C=CCOCCSCC m_62__875846__13774596 [0,2,0,0,0,0|1,0,1]=4 794 B8R0.4 C=CCOCSCCO m_7__128807__12361584 [0,2,0,0,0,0|1,0,1]=4 795 B8R0.4 C=CCSCC#CCO m_62__8363994__15141012 [0,2,0,0,0,0|0,0,2]=4 796 B8R0.4 C=CCSCC=CCO m_7__22987946__16809272 [0,2,0,0,0,0|0,0,2]=4 797 B8R0.4 C=CCSCCCC#N m_62__8363994__9273958 [0,2,0,0,0,0|1,0,1]=4 798 B8R0.4 C=CCSCCCCC m_62__5063390__8363982 [0,2,0,0,0,0|1,0,0]=3 799 B8R0.4 C=CCSCCCCF m_62__10157914__8363982 [0,2,0,0,0,0|1,0,0]=3 800 B8R0.4 C=CCSCCCCN m_34__20871448__7343510 [0,2,0,0,0,0|1,0,0]=3 801 B8R0.4 C=CCSCCCCO m_7__22987946__3191338 [0,2,0,0,0,0|0,0,0]=2 802 B8R0.4 C=CCSCCCOC m_62__9108898__8363982 [0,2,0,0,0,0|1,0,1]=4 803 B8R0.4 C=CCSCCCON m_7__22987730__3427024 [0,2,0,0,0,0|1,0,1]=4 804 B8R0.4 C=CCSCCCSC m_7__10890048__3427024 [0,2,0,0,0,0|1,0,0]=3 805 B8R0.4 C=CCSCCNCC m_7__22986872__3427024 [0,2,0,0,0,0|2,0,0]=4 806 B8R0.4 C=CCSCCOCC m_62__204255__8363982 [0,2,0,0,0,0|2,0,0]=4 807 B8R0.4 C=CCSCCSCC m_7__8765656__3427024 [0,2,0,0,0,0|1,0,1]=4 808 B8R0.4 C=CCSCOCCC m_7__22987946__12361582 [0,2,0,0,0,0|2,0,0]=4 809 B8R0.4 C=CCSCSCCC m_7__22986886__15703840 [0,2,0,0,0,0|2,0,0]=4 810 B8R0.4 C=CCSCSCCO m_7__128807__15703840 [0,2,0,0,0,0|1,0,0]=3 811 B8R0.4 C=COCCCNCC m_270004__23844004__24715004 [0,2,0,0,0,0|2,0,0]=4 812 B8R0.4 CC#CCCCCSC m_62__875850__18320804 [0,2,0,0,0,0|1,0,0]=3 813 B8R0.4 CC#CCCCNCC m_270004__19176314__24715004 [0,2,0,0,0,0|2,0,0]=4 814 B8R0.4 CC#CCCCSCC m_62__875846__18185210 [0,2,0,0,0,0|1,0,1]=4 815 B8R0.4 CC#CCCSCCC m_7__22986886__8803406 [0,2,0,0,0,0|2,0,0]=4 816 B8R0.4 CC#CCCSCCN m_7__20871276__8803406 [0,2,0,0,0,0|2,0,0]=4 817 B8R0.4 CC#CCCSCCO m_7__128807__8803406 [0,2,0,0,0,0|1,0,0]=3 818 B8R0.4 CC#CCSCCCC m_7__22987458__770176 [0,2,0,0,0,0|2,0,0]=4 819 B8R0.4 CC#CCSCCCF m_7__22987458__16896928 [0,2,0,0,0,0|2,0,0]=4 820 B8R0.4 CC#CCSCCCN m_7__20871288__5631254 [0,2,0,0,0,0|2,0,0]=4 821 B8R0.4 CC#CCSCCCO m_7__22987458__6354 [0,2,0,0,0,0|1,0,0]=3 822 B8R0.4 CC#CCSCCOC m_62__524272__8844818 [0,2,0,0,0,0|1,0,1]=4 823 B8R0.4 CC#CCSCCSC m_7__22987458__7912552 [0,2,0,0,0,0|1,0,1]=4 824 B8R0.4 CC=CCCCNCC m_270004__17054558__24715004 [0,2,0,0,0,0|2,0,0]=4 825 B8R0.4 CC=CCCCSCC m_62__16975676__6469026 [0,2,0,0,0,0|1,0,1]=4 826 B8R0.4 CC=CCSCCCC m_62__4275932__7021588 [0,2,0,0,0,0|2,0,0]=4 827 B8R0.4 CC=CCSCCOC m_62__4275932__8623480 [0,2,0,0,0,0|1,0,1]=4 828 B8R0.4 CC=CCSCCSC m_62__4275932__8268572 [0,2,0,0,0,0|1,0,1]=4 829 B8R0.4 CCC#CCSCCO m_7__20984246__102708 [0,2,0,0,0,0|1,0,1]=4 830 B8R0.4 CCC#CCSCSC m_7__20984246__10542644 [0,2,0,0,0,0|1,0,1]=4 831 B8R0.4 CCC=CCCSCC m_62__8859720__6469026 [0,2,0,0,0,0|1,0,1]=4 832 B8R0.4 CCC=NOCCCO m_34__17309904__7931512 [0,2,0,0,0,0|1,0,1]=4 833 B8R0.4 CCC=NOCCSC m_34__17309904__136507 [0,2,0,0,0,0|1,0,1]=4 834 B8R0.4 CCCC=CCCSC m_62__875850__7875324 [0,2,0,0,0,0|1,0,0]=3 835 B8R0.4 CCCCCC=NOC m_4__461206__7831628 [0,2,0,0,0,0|1,0,1]=4 836 B8R0.4 CCCCCCC=NO m_4__388124__7831620 [0,2,0,0,0,0|1,0,0]=3 837 B8R0.4 CCCCCCCSC m_62__875850__7284636 [0,2,0,0,0,0|1,0,0]=3 838 B8R0.4 CCCCCCNCC m_270004__8288590__24715004 [0,2,0,0,0,0|2,0,0]=4 839 B8R0.4 CCCCCCSCC m_62__8854732__6469026 [0,2,0,0,0,0|1,0,0]=3 840 B8R0.4 CCCCCSCC#N m_7__8271838__5055 [0,2,0,0,0,0|1,0,0]=3 841 B8R0.4 CCCCCSCCC m_62__5063390__875868 [0,2,0,0,0,0|1,0,0]=3 842 B8R0.4 CCCCCSCCF m_7__8271838__22320828 [0,2,0,0,0,0|1,0,0]=3 843 B8R0.4 CCCCCSCCN m_7__20871276__5063386 [0,2,0,0,0,0|1,0,0]=3 844 B8R0.4 CCCCCSCCO m_7__8271838__102708 [0,2,0,0,0,0|1,0,0]=3 845 B8R0.4 CCCCCSCOC m_7__8271838__6762 [0,2,0,0,0,0|1,0,0]=3 846 B8R0.4 CCCCCSCSC m_7__8271838__10542644 [0,2,0,0,0,0|1,0,0]=3 847 B8R0.4 CCCCNCCC#N m_273610__13857014__11515974 [0,2,0,0,0,0|2,0,0]=4 848 B8R0.4 CCCCOCCSC m_7__22987848__5046 [0,2,0,0,0,0|1,0,0]=3 849 B8R0.4 CCCCOCSCC m_7__22987770__17643698 [0,2,0,0,0,0|1,0,0]=3 850 B8R0.4 CCCCSCCC#N m_7__10953802__131272 [0,2,0,0,0,0|2,0,0]=4 851 B8R0.4 CCCCSCCCC m_62__875776__7021588 [0,2,0,0,0,0|2,0,0]=4 852 B8R0.4 CCCCSCCCN m_7__20871288__131272 [0,2,0,0,0,0|2,0,0]=4 853 B8R0.4 CCCCSCCCO m_7__10972294__770176 [0,2,0,0,0,0|1,0,0]=3 854 B8R0.4 CCCCSCCNC m_7__22986920__770176 [0,2,0,0,0,0|2,0,0]=4 855 B8R0.4 CCCCSCCOC m_7__6362310__770176 [0,2,0,0,0,0|1,0,0]=3 856 B8R0.4 CCCCSCCSC m_62__875776__8268572 [0,2,0,0,0,0|1,0,0]=3 857 B8R0.4 CCCCSCSCC m_7__22987770__10542654 [0,2,0,0,0,0|1,0,0]=3 858 B8R0.4 CCCNCCCCCl m_270004__8288780__24721168 [0,2,0,0,0,0|2,0,0]=4 859 B8R0.4 CCCNCCCOC m_270004__8288780__24710510 [0,2,0,0,0,0|1,0,0]=3 860 B8R0.4 CCCNCCSCC m_270004__8288780__8765926 [0,2,0,0,0,0|1,0,0]=3 861 B8R0.4 CCCOCCNCC m_270004__23847200__24715004 [0,2,0,0,0,0|2,0,0]=4 862 B8R0.4 CCCOCCSCC m_62__875846__15503588 [0,2,0,0,0,0|1,0,0]=3 863 B8R0.4 CCCOCSCCC m_7__22986886__12361582 [0,2,0,0,0,0|2,0,0]=4 864 B8R0.4 CCCOCSCCN m_7__20871276__12342842 [0,2,0,0,0,0|2,0,0]=4 865 B8R0.4 CCCOCSCCO m_7__128807__12361582 [0,2,0,0,0,0|1,0,0]=3 866 B8R0.4 CCCSCC#CCO m_62__875778__15141012 [0,2,0,0,0,0|0,0,2]=4 867 B8R0.4 CCCSCC=CCO m_7__22986886__16809272 [0,2,0,0,0,0|0,0,2]=4 868 B8R0.4 CCCSCCCC#N m_62__875778__9273958 [0,2,0,0,0,0|1,0,1]=4 869 B8R0.4 CCCSCCCCF m_62__875778__10157916 [0,2,0,0,0,0|1,0,0]=3 870 B8R0.4 CCCSCCCCN m_34__20871448__13271108 [0,2,0,0,0,0|1,0,0]=3 871 B8R0.4 CCCSCCCCO m_7__22986886__3191338 [0,2,0,0,0,0|0,0,0]=2 872 B8R0.4 CCCSCCCOC m_62__875778__9108904 [0,2,0,0,0,0|1,0,0]=3 873 B8R0.4 CCCSCCCON m_7__22987730__14390332 [0,2,0,0,0,0|1,0,0]=3 874 B8R0.4 CCCSCCCSC m_7__10890048__14390332 [0,2,0,0,0,0|1,0,0]=3 875 B8R0.4 CCCSCCNCC m_7__22986872__14390332 [0,2,0,0,0,0|2,0,0]=4 876 B8R0.4 CCCSCCOCC m_62__875778__204256 [0,2,0,0,0,0|1,1,0]=4 877 B8R0.4 CCCSCCSC#N m_7__22986886__15064758 [0,2,0,0,0,0|1,0,1]=4 878 B8R0.4 CCCSCCSCC m_7__8765656__14390332 [0,2,0,0,0,0|1,0,0]=3 879 B8R0.4 CCNCCC#CCO m_270004__21537562__24715004 [0,2,0,0,0,0|1,0,1]=4 880 B8R0.4 CCNCCCCC#N m_207__121480__23296152 [0,2,0,0,0,0|2,0,0]=4 881 B8R0.4 CCNCCCCCCl m_270004__8160850__24721510 [0,2,0,0,0,0|2,0,0]=4 882 B8R0.4 CCNCCCCCF m_270004__15773420__24715004 [0,2,0,0,0,0|2,0,0]=4 883 B8R0.4 CCNCCCCCO m_270004__9456968__24715004 [0,2,0,0,0,0|1,0,0]=3 884 B8R0.4 CCNCCCCOC m_270004__8290272__24715004 [0,2,0,0,0,0|1,0,0]=3 885 B8R0.4 CCNCCCCSC m_270004__8296772__24715004 [0,2,0,0,0,0|1,0,0]=3 886 B8R0.4 CCNCCCOCC m_270004__8289124__24715004 [0,2,0,0,0,0|1,1,0]=4 887 B8R0.4 CCNCCCSCC m_270004__9819264__24715004 [0,2,0,0,0,0|1,0,0]=3 888 B8R0.4 CCNCCOCCF m_270004__12130428__24715004 [0,2,0,0,0,0|2,0,0]=4 889 B8R0.4 CCNCCOCCO m_270004__8288648__24715004 [0,2,0,0,0,0|1,0,0]=3 890 B8R0.4 CCNCCSCC#N m_7__22986872__5055 [0,2,0,0,0,0|2,0,0]=4 891 B8R0.4 CCNCCSCCF m_7__22986872__22320828 [0,2,0,0,0,0|2,0,0]=4 892 B8R0.4 CCNCCSCCO m_7__22986872__102708 [0,2,0,0,0,0|1,0,0]=3 893 B8R0.4 CCNCCSCOC m_7__22986872__6762 [0,2,0,0,0,0|1,1,0]=4 894 B8R0.4 CCNCCSCSC m_7__22986872__10542644 [0,2,0,0,0,0|1,0,0]=3 895 B8R0.4 CCOCCCCSC m_7__22987402__5046 [0,2,0,0,0,0|0,0,0]=2 896 B8R0.4 CCOCCCSCC m_62__5730880__6469026 [0,2,0,0,0,0|1,0,0]=3 897 B8R0.4 CCOCCSCCN m_7__20871276__5044 [0,2,0,0,0,0|1,1,0]=4 898 B8R0.4 CCOCCSCCO m_62__204255__10178562 [0,2,0,0,0,0|0,1,0]=3 899 B8R0.4 CCOCSCCCN m_7__20871288__10176980 [0,2,0,0,0,0|1,1,0]=4 900 B8R0.4 CCOCSCCCO m_7__10972294__10176980 [0,2,0,0,0,0|0,1,0]=3 901 B8R0.4 CCOCSCCNC m_7__22986920__10176980 [0,2,0,0,0,0|2,0,0]=4 902 B8R0.4 CCOCSCCOC m_7__6362310__10176980 [0,2,0,0,0,0|1,1,0]=4 903 B8R0.4 CCON=CCCSC m_4__158181__7831604 [0,2,0,0,0,0|1,0,1]=4 904 B8R0.4 CCSCC#CCOC m_7__22987770__7762008 [0,2,0,0,0,0|0,0,2]=4 905 B8R0.4 CCSCCC=NOC m_4__461206__8623944 [0,2,0,0,0,0|1,0,1]=4 906 B8R0.4 CCSCCCCC#N m_62__875846__7206752 [0,2,0,0,0,0|1,0,0]=3 907 B8R0.4 CCSCCCCCF m_62__875846__9984634 [0,2,0,0,0,0|1,0,0]=3 908 B8R0.4 CCSCCCCCN m_34__20871474__7791662 [0,2,0,0,0,0|1,0,0]=3 909 B8R0.4 CCSCCCCCO m_7__22987770__6079158 [0,2,0,0,0,0|0,0,0]=2 910 B8R0.4 CCSCCCCOC m_62__875846__10159086 [0,2,0,0,0,0|0,0,0]=2 911 B8R0.4 CCSCCCSCC m_7__22987770__6078538 [0,2,0,0,0,0|1,0,0]=3 912 B8R0.4 CCSCCNCCN m_34__20871452__7791662 [0,2,0,0,0,0|1,0,0]=3 913 B8R0.4 CCSCCNCCO m_270004__8349608__8765926 [0,2,0,0,0,0|0,0,0]=2 914 B8R0.4 CCSCCOCCF m_7__22988070__5047 [0,2,0,0,0,0|1,0,0]=3 915 B8R0.4 CCSCCOCCN m_34__20871476__7791662 [0,2,0,0,0,0|1,0,0]=3 916 B8R0.4 CCSCCOCCO m_62__875846__8799516 [0,2,0,0,0,0|0,0,0]=2 917 B8R0.4 CCSCCSCC#N m_7__8765656__5055 [0,2,0,0,0,0|1,0,1]=4 918 B8R0.4 CCSCCSCCF m_7__8765656__22320828 [0,2,0,0,0,0|1,0,0]=3 919 B8R0.4 CCSCCSCCN m_7__20871276__5062078 [0,2,0,0,0,0|1,0,0]=3 920 B8R0.4 CCSCCSCCO m_7__8765656__6166114 [0,2,0,0,0,0|0,0,0]=2 921 B8R0.4 CCSCSCCC#N m_7__10953802__9456150 [0,2,0,0,0,0|1,0,1]=4 922 B8R0.4 CCSCSCCCN m_7__20871288__9456150 [0,2,0,0,0,0|1,0,0]=3 923 B8R0.4 CCSCSCCCO m_7__10972294__9456150 [0,2,0,0,0,0|0,0,0]=2 924 B8R0.4 CCSCSCCNC m_7__22986920__9456150 [0,2,0,0,0,0|2,0,0]=4 925 B8R0.4 CCSCSCCOC m_7__6362310__9456150 [0,2,0,0,0,0|1,0,0]=3 926 B8R0.4 CNCCSCCC#N m_7__22986920__5102 [0,2,0,0,0,0|2,0,0]=4 927 B8R0.4 CNCCSCCCF m_7__22986920__16896928 [0,2,0,0,0,0|2,0,0]=4 928 B8R0.4 CNCCSCCCO m_7__22986920__6354 [0,2,0,0,0,0|1,0,0]=3 929 B8R0.4 CNCCSCCOC m_7__22986920__149891 [0,2,0,0,0,0|1,0,0]=3 930 B8R0.4 CNCCSCCSC m_7__22986920__7912552 [0,2,0,0,0,0|1,0,0]=3 931 B8R0.4 COCCCC=NOC m_4__461206__9044572 [0,2,0,0,0,0|0,1,1]=4 932 B8R0.4 COCCCCCSC m_62__5002782__876088 [0,2,0,0,0,0|0,0,0]=2 933 B8R0.4 COCCCNCCO m_270004__8349608__24710510 [0,2,0,0,0,0|0,1,0]=3 934 B8R0.4 COCCCSCC#N m_7__17626136__5055 [0,2,0,0,0,0|1,1,0]=4 935 B8R0.4 COCCCSCCF m_7__17626136__22320828 [0,2,0,0,0,0|1,1,0]=4 936 B8R0.4 COCCCSCCN m_7__20871276__9108870 [0,2,0,0,0,0|1,1,0]=4 937 B8R0.4 COCCCSCCO m_7__17626136__102708 [0,2,0,0,0,0|0,1,0]=3 938 B8R0.4 COCCCSCOC m_7__17626136__6762 [0,2,0,0,0,0|0,1,0]=3 939 B8R0.4 COCCCSCSC m_7__17626136__10542644 [0,2,0,0,0,0|0,0,0]=2 940 B8R0.4 COCCNCCC#N m_273610__13857010__11515974 [0,2,0,0,0,0|1,1,0]=4 941 B8R0.4 COCCOCCSC m_62__8738860__876088 [0,2,0,0,0,0|0,0,0]=2 942 B8R0.4 COCCSCCC#N m_7__10953802__149891 [0,2,0,0,0,0|1,1,0]=4 943 B8R0.4 COCCSCCCF m_7__6362310__16896928 [0,2,0,0,0,0|1,1,0]=4 944 B8R0.4 COCCSCCCN m_7__20871288__149891 [0,2,0,0,0,0|1,1,0]=4 945 B8R0.4 COCCSCCCO m_7__6362310__6354 [0,2,0,0,0,0|0,1,0]=3 946 B8R0.4 COCCSCCOC m_62__524272__8623480 [0,2,0,0,0,0|0,1,0]=3 947 B8R0.4 COCCSCCSC m_62__524272__8268572 [0,2,0,0,0,0|0,0,0]=2 948 B8R0.4 COCSCCCCN m_7__20871294__6762 [0,2,0,0,0,0|1,0,0]=3 949 B8R0.4 COCSCCCCO m_7__22849690__6762 [0,2,0,0,0,0|0,0,0]=2 950 B8R0.4 COCSCCCON m_7__22987730__6762 [0,2,0,0,0,0|0,1,0]=3 951 B8R0.4 CON=CCCCSC m_4__461206__10542472 [0,2,0,0,0,0|0,0,1]=3 952 B8R0.4 CSCCCSCC#N m_7__10890048__5055 [0,2,0,0,0,0|1,0,0]=3 953 B8R0.4 CSCCCSCCF m_7__10890048__22320828 [0,2,0,0,0,0|1,0,0]=3 954 B8R0.4 CSCCCSCCN m_7__20871276__16930422 [0,2,0,0,0,0|1,0,0]=3 955 B8R0.4 CSCCCSCCO m_7__10890048__6166114 [0,2,0,0,0,0|0,0,0]=2 956 B8R0.4 CSCCNCCC#N m_273610__13857796__11515974 [0,2,0,0,0,0|1,0,0]=3 957 B8R0.4 CSCCNCCCN m_34__20871478__7119628 [0,2,0,0,0,0|1,0,0]=3 958 B8R0.4 CSCCSC/C=C\Br m_7__22544354__7912552 [0,2,0,0,0,0|1,0,1]=4 959 B8R0.4 CSCCSCCC#N m_7__10953802__7912552 [0,2,0,0,0,0|1,0,0]=3 960 B8R0.4 CSCCSCCCN m_7__20871288__7912552 [0,2,0,0,0,0|1,0,0]=3 961 B8R0.4 CSCCSCCCO m_7__10972294__7912552 [0,2,0,0,0,0|0,0,0]=2 962 B8R0.4 CSCSCCCCN m_7__20871294__10542644 [0,2,0,0,0,0|1,0,0]=3 963 B8R0.4 CSCSCCCCO m_7__22849690__10542644 [0,2,0,0,0,0|0,0,0]=2 964 B8R0.4 CSCSCCCON m_7__22987730__10542644 [0,2,0,0,0,0|0,0,0]=2 965 B8R0.4 N#CCCCSCCN m_7__20871276__9281768 [0,2,0,0,0,0|1,0,1]=4 966 B8R0.4 N#CCCCSCCO m_7__128807__9281768 [0,2,0,0,0,0|1,0,1]=4 967 B8R0.4 N#CCCNCCCO m_273610__11554108__11515974 [0,2,0,0,0,0|1,0,1]=4 968 B8R0.4 N#CCCSCCCO m_7__10953802__6354 [0,2,0,0,0,0|1,0,1]=4 969 B8R0.4 N#CCSCCCCN m_7__20871294__5055 [0,2,0,0,0,0|1,0,0]=3 970 B8R0.4 N#CCSCCCCO m_7__22849690__5055 [0,2,0,0,0,0|0,0,0]=2 971 B8R0.4 N#CCSCCCON m_7__22987730__5055 [0,2,0,0,0,0|2,0,0]=4 972 B8R0.4 N#CSCCSCCN m_7__20871276__15064758 [0,2,0,0,0,0|1,0,1]=4 973 B8R0.4 N#CSCCSCCO m_7__128807__15064758 [0,2,0,0,0,0|0,0,1]=3 974 B8R0.4 NCCCCSCCF m_34__20871448__22320830 [0,2,0,0,0,0|1,0,0]=3 975 B8R0.4 NCCCCSCCO m_7__20871294__102708 [0,2,0,0,0,0|1,0,0]=3 976 B8R0.4 NCCCSCCCF m_7__20871288__16896928 [0,2,0,0,0,0|2,0,0]=4 977 B8R0.4 NCCCSCCCO m_7__20871288__6354 [0,2,0,0,0,0|1,0,0]=3 978 B8R0.4 NCCSCC#CCO m_7__20871276__15141006 [0,2,0,0,0,0|0,0,2]=4 979 B8R0.4 NCCSCC=CCO m_7__20871276__16809272 [0,2,0,0,0,0|0,0,2]=4 980 B8R0.4 NCCSCCCCF m_7__20871276__10157908 [0,2,0,0,0,0|1,0,0]=3 981 B8R0.4 NCCSCCCCO m_7__20871276__3191338 [0,2,0,0,0,0|0,0,0]=2 982 B8R0.4 NOCCCSCCF m_7__22987730__22320828 [0,2,0,0,0,0|2,0,0]=4 983 B8R0.4 NOCCCSCCO m_7__22987730__102708 [0,2,0,0,0,0|1,1,0]=4 984 B8R0.4 OCC#CCSCCO m_7__128807__15141006 [0,2,0,0,0,0|0,0,2]=4 985 B8R0.4 OCC=CCSCCO m_7__128807__16809272 [0,2,0,0,0,0|0,0,2]=4 986 B8R0.4 OCCCCCC=NO m_4__388124__12546750 [0,2,0,0,0,0|1,0,1]=4 987 B8R0.4 OCCCCSCCF m_7__22849690__22320828 [0,2,0,0,0,0|0,0,0]=2 988 B8R0.4 OCCCCSCCO m_7__22849690__102708 [0,2,0,0,0,0|0,0,0]=2 989 B8R0.4 OCCCSC/C=C\Br m_7__22544354__6354 [0,2,0,0,0,0|1,0,1]=4 990 B8R0.4 OCCCSCC=CCl m_7__10972294__5103 [0,2,0,0,0,0|1,0,1]=4 991 B8R0.4 OCCCSCCCF m_7__10972294__16896928 [0,2,0,0,0,0|1,0,0]=3 992 B8R0.4 OCCCSCCCO m_7__10972294__6354 [0,2,0,0,0,0|1,0,0]=3 993 B8R0.4 OCCNCCCCCl m_270004__8349608__24721168 [0,2,0,0,0,0|1,0,0]=3 994 B8R0.4 OCCSCCCCF m_62__10157914__10178562 [0,2,0,0,0,0|1,0,0]=3 995 B8R0.6 C#CCCN[C@H](C)CO m_2230__22399532__9420240 [0,2,0,0,0,0|1,0,1]=4 996 B8R0.6 C#CCCSC(C)CO m_7__6338928__18060656 [0,2,0,0,0,0|1,0,1]=4 997 B8R0.6 C#CCSCC(C)CO m_7__6078536__6266 [0,2,0,0,0,0|1,0,1]=4 998 B8R0.6 C#CCSCC(O)CO m_7__6554250__6266 [0,2,0,0,0,0|1,0,1]=4 999 B8R0.6 C=C(CC)CSCCO m_62__8265146__10178562 [0,2,0,0,0,0|1,0,1]=4 1000 B8R0.6 C=C(CO)CCNCC m_270004__17763614__24715004 [0,2,0,0,0,0|1,0,1]=4 1001 B8R0.6 C=C(CO)CSCCC m_7__22986886__15422654 [0,2,0,0,0,0|1,0,1]=4 1002 B8R0.6 C=C(CO)CSCCO m_7__128807__15422654 [0,2,0,0,0,0|2,0,0]=4 1003 B8R0.6 C=CC(C)CSCCO m_62__23815404__10178562 [0,2,0,0,0,0|1,0,1]=4 1004 B8R0.6 C=CC(C)NCCCO m_2230__22399842__680950 [0,2,0,0,0,0|1,0,1]=4 1005 B8R0.6 C=CC(C)NCCSC m_2230__22399842__681390 [0,2,0,0,0,0|1,0,1]=4 1006 B8R0.6 C=CCCCC(C)NC m_2230__22404646__2463448 [0,2,0,0,0,0|2,0,0]=4 1007 B8R0.6 C=CCCNC(C)CO m_269862__11969960__15157990 [0,2,0,0,0,0|1,0,1]=4 1008 B8R0.6 C=CCCN[C@H](C)CO m_2230__22399532__8929530 [0,2,0,0,0,0|1,0,1]=4 1009 B8R0.6 C=CCCSC(C)CO m_7__6338928__8929468 [0,2,0,0,0,0|1,0,1]=4 1010 B8R0.6 C=CCSCC(C)CO m_7__6078536__3427024 [0,2,0,0,0,0|1,0,1]=4 1011 B8R0.6 C=CCSCC(O)CO m_7__22987946__3173190 [0,2,0,0,0,0|1,0,1]=4 1012 B8R0.6 CC#CCN[C@H](C)CO m_2230__22399532__5581034 [0,2,0,0,0,0|1,0,1]=4 1013 B8R0.6 CC#CCSC(C)CO m_7__6338928__5631254 [0,2,0,0,0,0|1,0,1]=4 1014 B8R0.6 CC(=CCl)CSCCO m_7__9703826__6166114 [0,2,0,0,0,0|2,0,0]=4 1015 B8R0.6 CC(C#N)CSCCO m_7__128807__22787436 [0,2,0,0,0,0|2,0,0]=4 1016 B8R0.6 CC(C#N)NCCCO m_2230__22392276__680950 [0,2,0,0,0,0|2,0,0]=4 1017 B8R0.6 CC(C#N)SCCCO m_7__10972294__6057 [0,2,0,0,0,0|2,0,0]=4 1018 B8R0.6 CC(CCl)NCCCO m_2230__22399894__680950 [0,2,0,0,0,0|2,0,0]=4 1019 B8R0.6 CC(CO)CSCC#N m_7__6078536__5055 [0,2,0,0,0,0|2,0,0]=4 1020 B8R0.6 CC(CO)CSCCF m_7__6078536__22320828 [0,2,0,0,0,0|2,0,0]=4 1021 B8R0.6 CC(CO)CSCCN m_7__20871276__7968760 [0,2,0,0,0,0|2,0,0]=4 1022 B8R0.6 CC(CO)CSCCO m_7__6078536__102708 [0,2,0,0,0,0|2,0,0]=4 1023 B8R0.6 CC(CO)NCCCF m_269862__17065594__15157990 [0,2,0,0,0,0|2,0,0]=4 1024 B8R0.6 CC(CO)NCCCO m_269862__7192678__15157990 [0,2,0,0,0,0|2,0,0]=4 1025 B8R0.6 CC(CO)SCCC#N m_7__10953802__17610454 [0,2,0,0,0,0|2,0,0]=4 1026 B8R0.6 CC(CO)SCCCF m_7__6338928__16896928 [0,2,0,0,0,0|2,0,0]=4 1027 B8R0.6 CC(CO)SCCCN m_7__20871288__17610454 [0,2,0,0,0,0|2,0,0]=4 1028 B8R0.6 CC(CO)SCCCO m_7__6338928__6354 [0,2,0,0,0,0|2,0,0]=4 1029 B8R0.6 CC=C(C)CNCCO m_270004__8349608__16464078 [0,2,0,0,0,0|1,0,1]=4 1030 B8R0.6 CC=C(C)CSCCO m_7__128807__15113410 [0,2,0,0,0,0|1,0,1]=4 1031 B8R0.6 CC=CCNC(C)CO m_269862__14317892__15157990 [0,2,0,0,0,0|1,0,1]=4 1032 B8R0.6 CC=CCN[C@H](C)CO m_2230__22399532__681024 [0,2,0,0,0,0|1,0,1]=4 1033 B8R0.6 CCC(=O)CSCCO m_7__128807__2910268 [0,2,0,0,0,0|1,0,1]=4 1034 B8R0.6 CCC(=O)NCCCO m_270062__7600302__22005658 [0,2,0,0,0,0|1,0,1]=4 1035 B8R0.6 CCC(=O)NCCSC m_270062__16414418__22005658 [0,2,0,0,0,0|1,0,1]=4 1036 B8R0.6 CCC(=O)OCCCO m_1458__473508__484772 [0,2,0,0,0,0|1,0,1]=4 1037 B8R0.6 CCC(=O)OCCSC m_276436__14078554__14101862 [0,2,0,0,0,0|1,0,1]=4 1038 B8R0.6 CCC(C)CNCCF m_207__18491578__7687310 [0,2,0,0,0,0|2,0,0]=4 1039 B8R0.6 CCC(C)CNCCO m_207__121484__7687310 [0,2,0,0,0,0|1,0,0]=3 1040 B8R0.6 CCC(C)CSCCF m_7__7022538__22320828 [0,2,0,0,0,0|2,0,0]=4 1041 B8R0.6 CCC(C)CSCCN m_7__20871276__8366958 [0,2,0,0,0,0|2,0,0]=4 1042 B8R0.6 CCC(C)CSCCO m_7__7022538__102708 [0,2,0,0,0,0|1,0,0]=3 1043 B8R0.6 CCC(C)CSCOC m_7__7022538__6762 [0,2,0,0,0,0|1,1,0]=4 1044 B8R0.6 CCC(C)CSCSC m_7__7022538__10542644 [0,2,0,0,0,0|1,0,0]=3 1045 B8R0.6 CCC(C)NCCCF m_269862__17065594__7200134 [0,2,0,0,0,0|2,0,0]=4 1046 B8R0.6 CCC(C)NCCCO m_269862__7192678__7200134 [0,2,0,0,0,0|1,0,0]=3 1047 B8R0.6 CCC(C)NCCOC m_269862__7192698__7200134 [0,2,0,0,0,0|1,1,0]=4 1048 B8R0.6 CCC(C)NCCSC m_269862__11963794__7200134 [0,2,0,0,0,0|1,0,0]=3 1049 B8R0.6 CCC(C)SCCCN m_7__20871288__14247828 [0,2,0,0,0,0|2,0,0]=4 1050 B8R0.6 CCC(C)SCCCO m_7__10972294__14247828 [0,2,0,0,0,0|1,0,0]=3 1051 B8R0.6 CCC(C)SCCNC m_7__22986920__14247828 [0,2,0,0,0,0|2,0,0]=4 1052 B8R0.6 CCC(C)SCCOC m_7__6362310__14247828 [0,2,0,0,0,0|1,1,0]=4 1053 B8R0.6 CCC(F)CSCCN m_7__20871276__9787594 [0,2,0,0,0,0|2,0,0]=4 1054 B8R0.6 CCC(F)CSCCO m_62__9787600__10178562 [0,2,0,0,0,0|1,0,0]=3 1055 B8R0.6 CCC(O)CNCCF m_273610__13857118__11516276 [0,2,0,0,0,0|2,0,0]=4 1056 B8R0.6 CCC(O)CNCCO m_273610__11554104__11516276 [0,2,0,0,0,0|1,0,0]=3 1057 B8R0.6 CCC(O)CSCCF m_7__22988104__22320828 [0,2,0,0,0,0|2,0,0]=4 1058 B8R0.6 CCC(O)CSCCN m_7__20871276__10902710 [0,2,0,0,0,0|2,0,0]=4 1059 B8R0.6 CCC(O)CSCCO m_7__22988104__102708 [0,2,0,0,0,0|1,0,0]=3 1060 B8R0.6 CCC(O)CSCOC m_7__22988104__6762 [0,2,0,0,0,0|1,1,0]=4 1061 B8R0.6 CCC(O)CSCSC m_7__22988104__10542644 [0,2,0,0,0,0|1,0,0]=3 1062 B8R0.6 CCCCCC(=NO)C m_4__388124__238872 [0,2,0,0,0,0|1,0,1]=4 1063 B8R0.6 CCCCCC(=O)NC m_22__387492__294124 [0,2,0,0,0,0|2,0,0]=4 1064 B8R0.6 CCCCCC(=O)NO m_527__388132__336054 [0,2,0,0,0,0|1,0,1]=4 1065 B8R0.6 CCCCCC(=O)OC m_276436__14076652__14085900 [0,2,0,0,0,0|1,0,1]=4 1066 B8R0.6 CCCCCC(C)NC m_269862__7193148__7200472 [0,2,0,0,0,0|2,0,0]=4 1067 B8R0.6 CCCCCN(C)CC m_2230__22407254__22383854 [0,2,0,0,0,0|2,0,0]=4 1068 B8R0.6 CCCCCN(C)OC m_2230__679026__5063396 [0,2,0,0,0,0|1,1,0]=4 1069 B8R0.6 CCCCCS(=O)CC m_265282__8271846__4273536 [0,2,0,0,0,0|1,0,1]=4 1070 B8R0.6 CCCCNC(=O)CO m_22__57764__7941800 [0,2,0,0,0,0|1,0,1]=4 1071 B8R0.6 CCCCNC(C)CC m_269862__7192636__7200134 [0,2,0,0,0,0|2,0,0]=4 1072 B8R0.6 CCCCNC(C)CCl m_2230__22399894__22993830 [0,2,0,0,0,0|2,0,0]=4 1073 B8R0.6 CCCCNC(C)CO m_269862__7192636__15157990 [0,2,0,0,0,0|1,0,0]=3 1074 B8R0.6 CCCCN[C@H](C)CF m_2230__22399906__22993830 [0,2,0,0,0,0|2,0,0]=4 1075 B8R0.6 CCCCN[C@H](C)CN m_269982__22505378__7393358 [0,2,0,0,0,0|2,0,0]=4 1076 B8R0.6 CCCCN[C@H](C)CO m_2230__22399532__22993830 [0,2,0,0,0,0|1,0,0]=3 1077 B8R0.6 CCCCSC(C)CO m_7__6338928__770176 [0,2,0,0,0,0|1,0,0]=3 1078 B8R0.6 CCCCS[C@@H](C)CN m_7__20871330__131272 [0,2,0,0,0,0|2,0,0]=4 1079 B8R0.6 CCCNCC(C)CC m_207__109413__7687310 [0,2,0,0,0,0|2,0,0]=4 1080 B8R0.6 CCCNCC(O)CC m_273610__13857032__11516276 [0,2,0,0,0,0|2,0,0]=4 1081 B8R0.6 CCCNC[C@H](O)CF m_273610__13857032__14323916 [0,2,0,0,0,0|2,0,0]=4 1082 B8R0.6 CCCSCC(=O)SC m_7__22986886__19493736 [0,2,0,0,0,0|1,0,1]=4 1083 B8R0.6 CCCSCC(C)CC m_62__10709932__875868 [0,2,0,0,0,0|2,0,0]=4 1084 B8R0.6 CCCSCC(C)CO m_7__6078536__14390332 [0,2,0,0,0,0|1,0,0]=3 1085 B8R0.6 CCCSCC(C)NC m_269862__7193148__13438920 [0,2,0,0,0,0|2,0,0]=4 1086 B8R0.6 CCCSCC(C)OC m_62__875778__8738872 [0,2,0,0,0,0|1,1,0]=4 1087 B8R0.6 CCCSCC(F)CC m_62__9787600__875868 [0,2,0,0,0,0|2,0,0]=4 1088 B8R0.6 CCCSCC(O)CC m_7__22988104__14390332 [0,2,0,0,0,0|2,0,0]=4 1089 B8R0.6 CCCSCC(O)CF m_7__22986886__13890448 [0,2,0,0,0,0|2,0,0]=4 1090 B8R0.6 CCCSCC(O)CO m_7__22986886__3173190 [0,2,0,0,0,0|1,0,0]=3 1091 B8R0.6 CCCSC[C@@H](N)CC m_7__20871354__14390332 [0,2,0,0,0,0|2,0,0]=4 1092 B8R0.6 CCN(C)CCCCO m_2230__15737622__2463448 [0,2,0,0,0,0|1,0,0]=3 1093 B8R0.6 CCN(C)CCCNC m_269982__10972426__7393392 [0,2,0,0,0,0|2,0,0]=4 1094 B8R0.6 CCN(C)CCCOC m_2230__2067964__22383854 [0,2,0,0,0,0|1,1,0]=4 1095 B8R0.6 CCN(C)CCCSC m_2230__9749472__22383854 [0,2,0,0,0,0|1,0,0]=3 1096 B8R0.6 CCNCCC(C)CC m_270004__11970592__24715004 [0,2,0,0,0,0|2,0,0]=4 1097 B8R0.6 CCNCCC(C)CO m_270004__23845770__24715004 [0,2,0,0,0,0|1,0,0]=3 1098 B8R0.6 CCNCCC(C)OC m_270004__10742084__24715004 [0,2,0,0,0,0|1,1,0]=4 1099 B8R0.6 CCNCCC(C)SC m_270004__8293102__24715004 [0,2,0,0,0,0|1,0,0]=3 1100 B8R0.6 CCNCCC(O)CC m_270004__8299014__24715004 [0,2,0,0,0,0|2,0,0]=4 1101 B8R0.6 CCOCSC(C)CO m_7__6338928__10176980 [0,2,0,0,0,0|1,1,0]=4 1102 B8R0.6 CCS(=O)CCCOC m_265282__14913760__4273536 [0,2,0,0,0,0|1,1,0]=4 1103 B8R0.6 CCSCCC(=O)CC m_7__22987770__5062092 [0,2,0,0,0,0|1,0,1]=4 1104 B8R0.6 CCSCCC(=O)NO m_527__388132__950492 [0,2,0,0,0,0|1,0,1]=4 1105 B8R0.6 CCSCCC(C)CC m_62__20058276__6469026 [0,2,0,0,0,0|1,0,0]=3 1106 B8R0.6 CCSCCC(C)NC m_2230__22399618__2463448 [0,2,0,0,0,0|2,0,0]=4 1107 B8R0.6 CCSCCC(C)OC m_7__22987798__5047 [0,2,0,0,0,0|1,1,0]=4 1108 B8R0.6 CCSCCC(O)CC m_62__16640708__6469026 [0,2,0,0,0,0|1,0,0]=3 1109 B8R0.6 CCSCCN(C)CC m_7__14769896__5047 [0,2,0,0,0,0|2,0,0]=4 1110 B8R0.6 CCSCSC(C)CO m_7__6338928__9456150 [0,2,0,0,0,0|1,0,0]=3 1111 B8R0.6 CCSCS[C@@H](C)CN m_7__20871330__9456150 [0,2,0,0,0,0|2,0,0]=4 1112 B8R0.6 CC[C@H](N)CSCCF m_7__20871354__22320828 [0,2,0,0,0,0|2,0,0]=4 1113 B8R0.6 CC[C@H](N)CSCCO m_7__20871354__6166114 [0,2,0,0,0,0|1,0,0]=3 1114 B8R0.6 CNC(=NCCCO)N m_264822__3499806__3499590 [0,2,0,0,0,0|1,0,1]=4 1115 B8R0.6 CNC(=O)CCCCCl m_22__387492__7592952 [0,2,0,0,0,0|2,0,0]=4 1116 B8R0.6 CNC(=O)CCCCF m_22__387492__15414764 [0,2,0,0,0,0|2,0,0]=4 1117 B8R0.6 CNC(=O)CCCCN m_270006__8382028__11615982 [0,2,0,0,0,0|2,0,0]=4 1118 B8R0.6 CNC(=O)CCCOC m_22__387492__872478 [0,2,0,0,0,0|1,0,1]=4 1119 B8R0.6 CNC(=O)CCCSC m_22__387492__5135670 [0,2,0,0,0,0|0,0,2]=4 1120 B8R0.6 CNC(=O)CSCCO m_7__9788170__102708 [0,2,0,0,0,0|1,0,1]=4 1121 B8R0.6 CNC(=O)NCCCO m_2554__897396__788506 [0,2,0,0,0,0|1,0,1]=4 1122 B8R0.6 CNC(=S)NCCCO m_8__82028__83693 [0,2,0,0,0,0|1,0,1]=4 1123 B8R0.6 CNC(C)CCCCN m_269982__22505242__14064228 [0,2,0,0,0,0|2,0,0]=4 1124 B8R0.6 CNC(C)CCCCO m_2230__22399050__2463448 [0,2,0,0,0,0|1,0,0]=3 1125 B8R0.6 CNC(C)CCCOC m_269862__7193148__7201632 [0,2,0,0,0,0|1,0,0]=3 1126 B8R0.6 CNC(C)CSCCF m_269862__7193148__11946896 [0,2,0,0,0,0|2,0,0]=4 1127 B8R0.6 CNCCNC(=O)CO m_240690__7347462__17025660 [0,2,0,0,0,0|1,0,1]=4 1128 B8R0.6 CNCCSC(C)CO m_7__22986920__17610454 [0,2,0,0,0,0|1,0,0]=3 1129 B8R0.6 COC(=O)CCCSC m_7__22987836__5046 [0,2,0,0,0,0|0,0,1]=3 1130 B8R0.6 COC(=O)CSCCO m_7__29561__102708 [0,2,0,0,0,0|0,1,1]=4 1131 B8R0.6 COC(=O)CSCSC m_7__29561__10542644 [0,2,0,0,0,0|1,0,1]=4 1132 B8R0.6 COC(=O)NCCCO m_282070__22274660__22151046 [0,2,0,0,0,0|0,1,1]=4 1133 B8R0.6 COC(=O)NCCSC m_282070__22229728__22151046 [0,2,0,0,0,0|1,0,1]=4 1134 B8R0.6 COC(C)CSCCF m_7__22986820__22320828 [0,2,0,0,0,0|1,1,0]=4 1135 B8R0.6 COC(C)CSCCN m_7__20871276__13594080 [0,2,0,0,0,0|1,1,0]=4 1136 B8R0.6 COC(C)CSCCO m_7__22986820__102708 [0,2,0,0,0,0|0,1,0]=3 1137 B8R0.6 COC(C)CSCSC m_7__22986820__10542644 [0,2,0,0,0,0|1,0,0]=3 1138 B8R0.6 COCCCC(=NO)C m_4__388124__7081300 [0,2,0,0,0,0|0,1,1]=4 1139 B8R0.6 COCCCC(=O)NO m_527__388132__872482 [0,2,0,0,0,0|0,1,1]=4 1140 B8R0.6 COCCCC(=O)OC m_276436__14076652__14091718 [0,2,0,0,0,0|0,1,1]=4 1141 B8R0.6 COCCCN(C)OC m_2230__679026__9108922 [0,2,0,0,0,0|1,1,0]=4 1142 B8R0.6 COCCNC(=O)CO m_22__57676__7941800 [0,2,0,0,0,0|0,1,1]=4 1143 B8R0.6 COCCNC(C)CCl m_2230__22399894__666874 [0,2,0,0,0,0|1,1,0]=4 1144 B8R0.6 COCCNC(C)CO m_269862__7192698__15157990 [0,2,0,0,0,0|0,1,0]=3 1145 B8R0.6 COCCN[C@H](C)CF m_2230__22399906__666874 [0,2,0,0,0,0|1,1,0]=4 1146 B8R0.6 COCCN[C@H](C)CN m_269982__22505378__7396032 [0,2,0,0,0,0|1,1,0]=4 1147 B8R0.6 COCCN[C@H](C)CO m_2230__22399532__666874 [0,2,0,0,0,0|0,1,0]=3 1148 B8R0.6 COCCSC(C)CO m_7__6338928__149891 [0,2,0,0,0,0|0,1,0]=3 1149 B8R0.6 COCCS[C@@H](C)CN m_7__20871330__149891 [0,2,0,0,0,0|1,1,0]=4 1150 B8R0.6 COCSCC(C)CO m_7__6078536__6762 [0,2,0,0,0,0|0,1,0]=3 1151 B8R0.6 COCSCC(C)OC m_7__22986820__6762 [0,2,0,0,0,0|1,1,0]=4 1152 B8R0.6 COCSCC(O)CO m_7__6554250__6762 [0,2,0,0,0,0|0,1,0]=3 1153 B8R0.6 CON(C)CCCCF m_2230__679026__10157922 [0,2,0,0,0,0|1,1,0]=4 1154 B8R0.6 CON(C)CCCCO m_2230__679026__3191342 [0,2,0,0,0,0|0,1,0]=3 1155 B8R0.6 CON(C)CCCSC m_2230__679026__6165706 [0,2,0,0,0,0|1,0,0]=3 1156 B8R0.6 CSC(=O)CSCCN m_7__20871276__19493736 [0,2,0,0,0,0|1,0,1]=4 1157 B8R0.6 CSC(=O)CSCCO m_7__128807__19493736 [0,2,0,0,0,0|0,0,1]=3 1158 B8R0.6 CSCCCC(=O)NN m_240690__7868478__7414988 [0,2,0,0,0,0|0,0,2]=4 1159 B8R0.6 CSCCCC(=O)NO m_527__388132__5135672 [0,2,0,0,0,0|0,0,1]=3 1160 B8R0.6 CSCCNC(=O)CN m_270006__11965362__10128098 [0,2,0,0,0,0|1,0,1]=4 1161 B8R0.6 CSCCNC(=O)CO m_22__11946668__7941800 [0,2,0,0,0,0|0,0,1]=3 1162 B8R0.6 CSCCNC(C)CCl m_2230__22399894__681390 [0,2,0,0,0,0|1,0,0]=3 1163 B8R0.6 CSCCNC(C)CO m_269862__11963794__15157990 [0,2,0,0,0,0|0,0,0]=2 1164 B8R0.6 CSCCN[C@H](C)CF m_2230__22399906__681390 [0,2,0,0,0,0|1,0,0]=3 1165 B8R0.6 CSCCN[C@H](C)CO m_2230__22399532__681390 [0,2,0,0,0,0|0,0,0]=2 1166 B8R0.6 CSCCSC(C)CO m_7__6338928__7912552 [0,2,0,0,0,0|0,0,0]=2 1167 B8R0.6 CSCCS[C@@H](C)CN m_7__20871330__7912552 [0,2,0,0,0,0|1,0,0]=3 1168 B8R0.6 CSCSCC(C)CO m_7__6078536__10542644 [0,2,0,0,0,0|0,0,0]=2 1169 B8R0.6 CSCSCC(O)CO m_7__6554250__10542644 [0,2,0,0,0,0|0,0,0]=2 1170 B8R0.6 C[C@@H](CN)SCCCO m_7__20871330__6354 [0,2,0,0,0,0|2,0,0]=4 1171 B8R0.6 C[C@H](CF)NCCCO m_2230__22399906__680950 [0,2,0,0,0,0|2,0,0]=4 1172 B8R0.6 C[C@H](CN)NCCCO m_269982__22505378__22497532 [0,2,0,0,0,0|2,0,0]=4 1173 B8R0.6 C[C@H](CO)NCCC#N m_273610__11554128__11515974 [0,2,0,0,0,0|2,0,0]=4 1174 B8R0.6 C[C@H](CO)NCCCF m_2230__22399532__16896936 [0,2,0,0,0,0|2,0,0]=4 1175 B8R0.6 C[C@H](CO)NCCCO m_2230__22399532__680950 [0,2,0,0,0,0|2,0,0]=4 1176 B8R0.6 N#CC(Br)CSCCO m_7__128807__22787952 [0,2,0,0,0,0|2,0,0]=4 1177 B8R0.6 N#CC(Cl)CSCCO m_7__128807__22787506 [0,2,0,0,0,0|2,0,0]=4 1178 B8R0.6 N#CCSCC(O)CO m_7__6554250__5055 [0,2,0,0,0,0|2,0,0]=4 1179 B8R0.6 NCC(=O)NCCCO m_240690__10880360__3025698 [0,2,0,0,0,0|2,0,0]=4 1180 B8R0.6 NCCSCC(O)CO m_7__20871276__22141028 [0,2,0,0,0,0|2,0,0]=4 1181 B8R0.6 O=C(CO)NCCCO m_22__564320__7941800 [0,2,0,0,0,0|2,0,0]=4 1182 B8R0.6 OCC(O)CSCCF m_7__6554250__22320828 [0,2,0,0,0,0|2,0,0]=4 1183 B8R0.6 OCCNC[C@H](O)CF m_273610__11554104__14323916 [0,2,0,0,0,0|2,0,0]=4 1184 B8R0.6 OCCSCC(O)CF m_7__128807__13890448 [0,2,0,0,0,0|2,0,0]=4 1185 B8R0.6 OCCSCC(O)CO m_7__6554250__102708 [0,2,0,0,0,0|2,0,0]=4 1186 B8R0.7 C#CCCCSC(C)C m_62__2390328__17850946 [0,2,0,0,0,0|1,0,1]=4 1187 B8R0.7 C#CCCNCC(C)O m_273610__13857716__11516404 [0,2,0,0,0,0|1,0,1]=4 1188 B8R0.7 C#CCCSCC(C)O m_7__10953796__18060656 [0,2,0,0,0,0|1,0,1]=4 1189 B8R0.7 C=C(Br)CCCSCC m_7__22987770__22489510 [0,2,0,0,0,0|1,0,1]=4 1190 B8R0.7 C=C(Br)CCSCCO m_62__15782476__10178562 [0,2,0,0,0,0|1,0,1]=4 1191 B8R0.7 C=C(Br)CSCCCO m_7__22602174__6354 [0,2,0,0,0,0|1,0,1]=4 1192 B8R0.7 C=C(Br)CSCCSC m_7__22602174__7912552 [0,2,0,0,0,0|1,0,1]=4 1193 B8R0.7 C=C(C)CCCNCC m_270004__8160850__23155958 [0,2,0,0,0,0|2,0,0]=4 1194 B8R0.7 C=C(C)CCCSCC m_62__13608160__6469026 [0,2,0,0,0,0|1,0,1]=4 1195 B8R0.7 C=C(C)CCSCCC m_62__10158742__875868 [0,2,0,0,0,0|2,0,0]=4 1196 B8R0.7 C=C(C)CCSCCN m_7__20871276__10158738 [0,2,0,0,0,0|2,0,0]=4 1197 B8R0.7 C=C(C)CCSCCO m_62__10158742__10178562 [0,2,0,0,0,0|1,0,0]=3 1198 B8R0.7 C=C(C)CSCCCC m_62__6464432__7021588 [0,2,0,0,0,0|2,0,0]=4 1199 B8R0.7 C=C(C)CSCCCN m_7__20871288__5949 [0,2,0,0,0,0|2,0,0]=4 1200 B8R0.7 C=C(C)CSCCCO m_7__10972294__5949 [0,2,0,0,0,0|1,0,0]=3 1201 B8R0.7 C=C(C)CSCCOC m_62__6464432__8623480 [0,2,0,0,0,0|2,0,0]=4 1202 B8R0.7 C=C(C)CSCCSC m_62__6464432__8268572 [0,2,0,0,0,0|1,0,1]=4 1203 B8R0.7 C=C(Cl)CCCSCC m_7__22987770__14423954 [0,2,0,0,0,0|1,0,1]=4 1204 B8R0.7 C=C(Cl)CSCCCO m_7__10972294__6562 [0,2,0,0,0,0|1,0,1]=4 1205 B8R0.7 C=C(Cl)CSCCSC m_62__11986394__8268572 [0,2,0,0,0,0|1,0,1]=4 1206 B8R0.7 C=C(F)CSCCCO m_7__10972294__22787510 [0,2,0,0,0,0|1,0,1]=4 1207 B8R0.7 C=C(F)CSCCSC m_62__17849116__8268572 [0,2,0,0,0,0|1,0,1]=4 1208 B8R0.7 C=C(I)CSCCCO m_7__10972294__18682532 [0,2,0,0,0,0|1,0,1]=4 1209 B8R0.7 C=C(I)CSCCSC m_62__18682538__8268572 [0,2,0,0,0,0|1,0,1]=4 1210 B8R0.7 C=CCCCCN(C)C m_2230__13469790__2463448 [0,2,0,0,0,0|2,0,0]=4 1211 B8R0.7 C=CCCCSC(C)C m_62__2390328__16929012 [0,2,0,0,0,0|1,0,1]=4 1212 B8R0.7 C=CCCNCC(C)O m_273610__12100308__11516404 [0,2,0,0,0,0|1,0,1]=4 1213 B8R0.7 C=CCCSCC(C)O m_7__10953796__8929468 [0,2,0,0,0,0|1,0,1]=4 1214 B8R0.7 C=CCSCCC(C)O m_62__12057938__8363982 [0,2,0,0,0,0|1,0,1]=4 1215 B8R0.7 CC#CCNCC(C)O m_273610__13857826__11516404 [0,2,0,0,0,0|1,0,1]=4 1216 B8R0.7 CC#CCSCC(C)O m_7__10953796__5631254 [0,2,0,0,0,0|1,0,1]=4 1217 B8R0.7 CC(=CCSCCO)C m_62__12201838__10178562 [0,2,0,0,0,0|1,0,1]=4 1218 B8R0.7 CC(=CCSCCO)Cl m_7__128807__12215356 [0,2,0,0,0,0|1,0,1]=4 1219 B8R0.7 CC(=O)CCSCCN m_7__20871276__107330 [0,2,0,0,0,0|2,0,0]=4 1220 B8R0.7 CC(=O)CCSCCO m_7__128807__107330 [0,2,0,0,0,0|1,0,0]=3 1221 B8R0.7 CC(=O)CSCCCO m_7__10972294__5065 [0,2,0,0,0,0|1,0,0]=3 1222 B8R0.7 CC(=O)NCCCCF m_270062__16414830__15585492 [0,2,0,0,0,0|2,0,0]=4 1223 B8R0.7 CC(=O)NCCCCN m_270006__11615528__8404996 [0,2,0,0,0,0|2,0,0]=4 1224 B8R0.7 CC(=O)NCCCCO m_270062__16411702__15585492 [0,2,0,0,0,0|1,0,0]=3 1225 B8R0.7 CC(=O)NCCCON m_240690__13312350__7404532 [0,2,0,0,0,0|2,0,0]=4 1226 B8R0.7 CC(=O)NOCCCO m_270062__21889610__15585492 [0,2,0,0,0,0|2,0,0]=4 1227 B8R0.7 CC(=O)OCCCCF m_276436__14483614__14088324 [0,2,0,0,0,0|1,1,0]=4 1228 B8R0.7 CC(=O)OCCCCO m_1458__473186__4858290 [0,2,0,0,0,0|0,1,0]=3 1229 B8R0.7 CC(=O)OCSCCO m_7__128807__20618926 [0,2,0,0,0,0|1,1,0]=4 1230 B8R0.7 CC(C)CCCC=NO m_4__388124__12206620 [0,2,0,0,0,0|1,0,1]=4 1231 B8R0.7 CC(C)CCNCCF m_207__18491578__134014 [0,2,0,0,0,0|2,0,0]=4 1232 B8R0.7 CC(C)CCNCCO m_207__121484__134014 [0,2,0,0,0,0|1,0,0]=3 1233 B8R0.7 CC(C)CCSCCF m_7__22987856__22320828 [0,2,0,0,0,0|2,0,0]=4 1234 B8R0.7 CC(C)CCSCCN m_7__20871276__102951 [0,2,0,0,0,0|2,0,0]=4 1235 B8R0.7 CC(C)CCSCCO m_7__22987856__102708 [0,2,0,0,0,0|1,0,0]=3 1236 B8R0.7 CC(C)CNCCCF m_207__17065564__121216 [0,2,0,0,0,0|2,0,0]=4 1237 B8R0.7 CC(C)CNCCCO m_207__109475__121216 [0,2,0,0,0,0|1,0,0]=3 1238 B8R0.7 CC(C)CSCCCF m_7__27301__16896928 [0,2,0,0,0,0|2,0,0]=4 1239 B8R0.7 CC(C)CSCCCN m_7__20871288__1010132 [0,2,0,0,0,0|2,0,0]=4 1240 B8R0.7 CC(C)CSCCCO m_7__27301__6354 [0,2,0,0,0,0|1,0,0]=3 1241 B8R0.7 CC(C)NCCCCCl m_270004__23845338__24721168 [0,2,0,0,0,0|2,0,0]=4 1242 B8R0.7 CC(C)NCCCCF m_269862__10390194__7204804 [0,2,0,0,0,0|2,0,0]=4 1243 B8R0.7 CC(C)NCCCCO m_269862__9433176__7204804 [0,2,0,0,0,0|1,0,0]=3 1244 B8R0.7 CC(C)SCC#CCO m_62__2390328__15141012 [0,2,0,0,0,0|0,0,2]=4 1245 B8R0.7 CC(C)SCCCC#N m_62__2390328__9273958 [0,2,0,0,0,0|1,0,1]=4 1246 B8R0.7 CC(C)SCCCCF m_62__2390328__10157916 [0,2,0,0,0,0|1,0,0]=3 1247 B8R0.7 CC(C)SCCCCN m_34__20871448__6950544 [0,2,0,0,0,0|1,0,0]=3 1248 B8R0.7 CC(C)SCCCCO m_7__22849690__5048 [0,2,0,0,0,0|0,0,0]=2 1249 B8R0.7 CC(C)SCCCON m_7__22987730__5048 [0,2,0,0,0,0|2,0,0]=4 1250 B8R0.7 CC(C)SCSCCN m_7__20871276__12306378 [0,2,0,0,0,0|2,0,0]=4 1251 B8R0.7 CC(C)SCSCCO m_7__128807__12306378 [0,2,0,0,0,0|1,0,0]=3 1252 B8R0.7 CC(F)CCSCCN m_7__20871276__13165340 [0,2,0,0,0,0|2,0,0]=4 1253 B8R0.7 CC(F)CCSCCO m_62__13165346__10178562 [0,2,0,0,0,0|1,0,0]=3 1254 B8R0.7 CC(F)CSCCCN m_7__20871288__16970746 [0,2,0,0,0,0|2,0,0]=4 1255 B8R0.7 CC(F)CSCCCO m_7__10972294__16970746 [0,2,0,0,0,0|1,0,0]=3 1256 B8R0.7 CC(N)CCSCCF m_34__20871470__22320830 [0,2,0,0,0,0|2,0,0]=4 1257 B8R0.7 CC(N)CCSCCO m_7__20871360__102708 [0,2,0,0,0,0|1,0,0]=3 1258 B8R0.7 CC(O)CCSCCN m_7__20871276__12057932 [0,2,0,0,0,0|2,0,0]=4 1259 B8R0.7 CC(O)CCSCCO m_62__12057938__10178562 [0,2,0,0,0,0|1,0,0]=3 1260 B8R0.7 CC(O)CNCCC#N m_273610__11554114__11515974 [0,2,0,0,0,0|2,0,0]=4 1261 B8R0.7 CC(O)CNCCCF m_273610__17065614__11516404 [0,2,0,0,0,0|2,0,0]=4 1262 B8R0.7 CC(O)CNCCCO m_273610__11554108__11516404 [0,2,0,0,0,0|1,0,0]=3 1263 B8R0.7 CC(O)CSCCC#N m_7__10953802__10902704 [0,2,0,0,0,0|2,0,0]=4 1264 B8R0.7 CC(O)CSCCCF m_63__17315394__10903854 [0,2,0,0,0,0|2,0,0]=4 1265 B8R0.7 CC(O)CSCCCN m_7__20871288__10902704 [0,2,0,0,0,0|2,0,0]=4 1266 B8R0.7 CC(O)CSCCCO m_7__10953796__6354 [0,2,0,0,0,0|1,0,0]=3 1267 B8R0.7 CC=CCNCC(C)O m_273610__14317906__11516404 [0,2,0,0,0,0|1,0,1]=4 1268 B8R0.7 CCCCCCC(=O)N m_22__58357__335768 [0,2,0,0,0,0|1,0,1]=4 1269 B8R0.7 CCCCCCN(C)C m_2230__22406770__2463448 [0,2,0,0,0,0|2,0,0]=4 1270 B8R0.7 CCCCCCS(=O)C m_265282__18991470__4273530 [0,2,0,0,0,0|1,0,1]=4 1271 B8R0.7 CCCCCNC(=O)C m_270062__7594692__15585492 [0,2,0,0,0,0|2,0,0]=4 1272 B8R0.7 CCCCCNC(C)C m_269862__7192702__7204804 [0,2,0,0,0,0|2,0,0]=4 1273 B8R0.7 CCCCCOC(=O)C m_276436__14076616__14088324 [0,2,0,0,0,0|1,1,0]=4 1274 B8R0.7 CCCCCSC(C)C m_62__2390328__5063392 [0,2,0,0,0,0|1,0,0]=3 1275 B8R0.7 CCCCNCC(C)C m_207__109452__121216 [0,2,0,0,0,0|2,0,0]=4 1276 B8R0.7 CCCCNCC(C)O m_273610__13857014__11516404 [0,2,0,0,0,0|1,0,0]=3 1277 B8R0.7 CCCCSCC(=O)O m_7__26823__131272 [0,2,0,0,0,0|1,0,1]=4 1278 B8R0.7 CCCCSCC(C)C m_7__27301__770176 [0,2,0,0,0,0|2,0,0]=4 1279 B8R0.7 CCCCSCC(C)F m_62__875776__16913488 [0,2,0,0,0,0|2,0,0]=4 1280 B8R0.7 CCCCSCC(C)O m_7__10953796__770176 [0,2,0,0,0,0|1,0,0]=3 1281 B8R0.7 CCCCSCC(F)F m_7__22987700__770176 [0,2,0,0,0,0|2,0,0]=4 1282 B8R0.7 CCCCSC[C@H](C)N m_7__20871336__131272 [0,2,0,0,0,0|2,0,0]=4 1283 B8R0.7 CCCNCCC(C)C m_207__109413__134014 [0,2,0,0,0,0|2,0,0]=4 1284 B8R0.7 CCCSCCC(=O)C m_7__22986886__107330 [0,2,0,0,0,0|2,0,0]=4 1285 B8R0.7 CCCSCCC(C)C m_62__7021584__875868 [0,2,0,0,0,0|2,0,0]=4 1286 B8R0.7 CCCSCCC(C)F m_62__13165346__875868 [0,2,0,0,0,0|2,0,0]=4 1287 B8R0.7 CCCSCCC(C)N m_34__20871470__13271108 [0,2,0,0,0,0|2,0,0]=4 1288 B8R0.7 CCCSCCC(C)O m_62__12057938__875868 [0,2,0,0,0,0|1,0,0]=3 1289 B8R0.7 CCCSCCC(F)F m_7__22986868__14390332 [0,2,0,0,0,0|2,0,0]=4 1290 B8R0.7 CCCSCCN(C)C m_7__22986886__391100 [0,2,0,0,0,0|2,0,0]=4 1291 B8R0.7 CCCSCCS(=O)C m_7__22986886__11566584 [0,2,0,0,0,0|1,0,1]=4 1292 B8R0.7 CCCSCSC(C)C m_7__22986886__12306378 [0,2,0,0,0,0|2,0,0]=4 1293 B8R0.7 CCNCCCC(C)C m_207__121480__7912414 [0,2,0,0,0,0|2,0,0]=4 1294 B8R0.7 CCNCCCC(C)O m_270004__9448698__24715004 [0,2,0,0,0,0|1,0,0]=3 1295 B8R0.7 CCNCCCC(F)F m_270004__13135948__24715004 [0,2,0,0,0,0|2,0,0]=4 1296 B8R0.7 CCNCCCN(C)C m_270004__8288592__24715004 [0,2,0,0,0,0|2,0,0]=4 1297 B8R0.7 CCNCCCS(=O)C m_270004__13164350__24715004 [0,2,0,0,0,0|1,0,1]=4 1298 B8R0.7 CCNCCSC(C)C m_7__22986872__5048 [0,2,0,0,0,0|2,0,0]=4 1299 B8R0.7 CCNCCSC(F)F m_270004__23849846__24715004 [0,2,0,0,0,0|2,0,0]=4 1300 B8R0.7 CCOCCCN(C)C m_2230__22406790__2463448 [0,2,0,0,0,0|2,0,0]=4 1301 B8R0.7 CCOCCSC(C)C m_62__2390328__204256 [0,2,0,0,0,0|2,0,0]=4 1302 B8R0.7 CCOCSCC(C)O m_7__10953796__10176980 [0,2,0,0,0,0|1,1,0]=4 1303 B8R0.7 CCSCCCC(=O)C m_7__22987770__322712 [0,2,0,0,0,0|0,0,2]=4 1304 B8R0.7 CCSCCCC(=O)N m_7__22987770__22787802 [0,2,0,0,0,0|0,0,2]=4 1305 B8R0.7 CCSCCCC(C)C m_62__10892842__6469026 [0,2,0,0,0,0|1,0,0]=3 1306 B8R0.7 CCSCCCC(C)O m_7__22987770__10688172 [0,2,0,0,0,0|0,0,0]=2 1307 B8R0.7 CCSCCCC(Cl)Cl m_62__875846__23915480 [0,2,0,0,0,0|1,0,0]=3 1308 B8R0.7 CCSCCCC(F)F m_62__875846__18239798 [0,2,0,0,0,0|1,0,0]=3 1309 B8R0.7 CCSCCCN(C)C m_7__22987770__22787728 [0,2,0,0,0,0|2,0,0]=4 1310 B8R0.7 CCSCCNC(C)C m_269862__13975980__7204804 [0,2,0,0,0,0|2,0,0]=4 1311 B8R0.7 CCSCCOC(C)C m_62__3569224__6469026 [0,2,0,0,0,0|2,0,0]=4 1312 B8R0.7 CCSCCOC(F)F m_62__875846__13445084 [0,2,0,0,0,0|2,0,0]=4 1313 B8R0.7 CCSCCSC(C)C m_7__8765656__5048 [0,2,0,0,0,0|2,0,0]=4 1314 B8R0.7 CCSCOCC(C)C m_7__22987770__12637718 [0,2,0,0,0,0|2,0,0]=4 1315 B8R0.7 CCSCOCC(F)F m_7__22987770__13807872 [0,2,0,0,0,0|2,0,0]=4 1316 B8R0.7 CCSCSCC(=O)O m_7__26823__9456150 [0,2,0,0,0,0|1,0,1]=4 1317 B8R0.7 CCSCSCC(C)C m_7__22987770__15703842 [0,2,0,0,0,0|2,0,0]=4 1318 B8R0.7 CCSCSCC(C)O m_7__10953796__9456150 [0,2,0,0,0,0|1,0,0]=3 1319 B8R0.7 CCSCSCC(F)F m_7__22987700__9456150 [0,2,0,0,0,0|2,0,0]=4 1320 B8R0.7 CCSCSC[C@H](C)N m_7__20871336__9456150 [0,2,0,0,0,0|2,0,0]=4 1321 B8R0.7 CN(C)CCCCCN m_269982__17757614__14064228 [0,2,0,0,0,0|2,0,0]=4 1322 B8R0.7 CN(C)CCCCCO m_2230__9449864__2463448 [0,2,0,0,0,0|1,0,0]=3 1323 B8R0.7 CN(C)CCOCCN m_269982__12306202__14064228 [0,2,0,0,0,0|2,0,0]=4 1324 B8R0.7 CN(C)CCOCCO m_2230__9824938__2463448 [0,2,0,0,0,0|1,0,0]=3 1325 B8R0.7 CN(C)CCSCCF m_7__6950568__22320828 [0,2,0,0,0,0|2,0,0]=4 1326 B8R0.7 CN(C)CCSCCN m_7__20871276__391100 [0,2,0,0,0,0|2,0,0]=4 1327 B8R0.7 CN(C)CCSCCO m_7__6950568__102708 [0,2,0,0,0,0|1,0,0]=3 1328 B8R0.7 CNCCCCC(=O)N m_240690__7368526__13151270 [0,2,0,0,0,0|1,0,1]=4 1329 B8R0.7 CNCCCCN(C)C m_269982__13951086__14064228 [0,2,0,0,0,0|2,0,0]=4 1330 B8R0.7 CNCCSCC(C)C m_7__22986920__1010132 [0,2,0,0,0,0|2,0,0]=4 1331 B8R0.7 CNCCSCC(C)F m_7__22986920__16970746 [0,2,0,0,0,0|2,0,0]=4 1332 B8R0.7 CNCCSCC(C)O m_7__22986920__10902704 [0,2,0,0,0,0|1,0,0]=3 1333 B8R0.7 CNCCSCC(F)F m_7__22986920__16886816 [0,2,0,0,0,0|2,0,0]=4 1334 B8R0.7 COCCCCC(=O)N m_22__58357__2303516 [0,2,0,0,0,0|0,1,1]=4 1335 B8R0.7 COCCCCN(C)C m_2230__11246776__2463448 [0,2,0,0,0,0|1,0,0]=3 1336 B8R0.7 COCCCNC(=O)C m_270062__7594856__15585492 [0,2,0,0,0,0|2,0,0]=4 1337 B8R0.7 COCCCNC(C)C m_269862__7192676__7204804 [0,2,0,0,0,0|1,1,0]=4 1338 B8R0.7 COCCCOC(=O)C m_276436__14076862__14088324 [0,2,0,0,0,0|2,0,0]=4 1339 B8R0.7 COCCCSC(C)C m_62__2390328__9108904 [0,2,0,0,0,0|1,1,0]=4 1340 B8R0.7 COCCNCC(C)C m_207__109486__121216 [0,2,0,0,0,0|1,1,0]=4 1341 B8R0.7 COCCNCC(C)O m_273610__13857010__11516404 [0,2,0,0,0,0|0,1,0]=3 1342 B8R0.7 COCCSCC(=O)C m_7__6362310__5065 [0,2,0,0,0,0|2,0,0]=4 1343 B8R0.7 COCCSCC(=O)O m_7__26823__149891 [0,2,0,0,0,0|0,1,1]=4 1344 B8R0.7 COCCSCC(C)C m_62__1010136__8623480 [0,2,0,0,0,0|1,1,0]=4 1345 B8R0.7 COCCSCC(C)F m_62__524272__16913488 [0,2,0,0,0,0|1,1,0]=4 1346 B8R0.7 COCCSCC(C)O m_7__10953796__149891 [0,2,0,0,0,0|0,1,0]=3 1347 B8R0.7 COCCSCC(F)F m_7__6362310__16886816 [0,2,0,0,0,0|1,1,0]=4 1348 B8R0.7 COCCSC[C@H](C)N m_7__20871336__149891 [0,2,0,0,0,0|1,1,0]=4 1349 B8R0.7 COCSCCC(C)C m_7__22987856__6762 [0,2,0,0,0,0|1,1,0]=4 1350 B8R0.7 COCSCCC(C)N m_7__20871360__6762 [0,2,0,0,0,0|1,1,0]=4 1351 B8R0.7 COCSCCC(F)F m_7__22986868__6762 [0,2,0,0,0,0|1,1,0]=4 1352 B8R0.7 COCSCCN(C)C m_7__6950568__6762 [0,2,0,0,0,0|2,0,0]=4 1353 B8R0.7 CS(=O)CCSCCN m_7__20871276__11566584 [0,2,0,0,0,0|1,0,1]=4 1354 B8R0.7 CS(=O)CCSCCO m_7__128807__11566584 [0,2,0,0,0,0|0,0,1]=3 1355 B8R0.7 CSCCCCC(=O)N m_22__58357__5454066 [0,2,0,0,0,0|0,0,1]=3 1356 B8R0.7 CSCCCNC(=N)N m_58668__5135900__2227896 [0,2,0,0,0,0|1,0,1]=4 1357 B8R0.7 CSCCCNC(=O)C m_270062__7618754__15585492 [0,2,0,0,0,0|0,0,2]=4 1358 B8R0.7 CSCCCNC(=O)N m_2554__5135892__788524 [0,2,0,0,0,0|0,0,2]=4 1359 B8R0.7 CSCCCNC(C)C m_269862__7198366__7204804 [0,2,0,0,0,0|1,0,0]=3 1360 B8R0.7 CSCCCOC(=O)C m_276436__14080554__14088324 [0,2,0,0,0,0|0,0,2]=4 1361 B8R0.7 CSCCCOC(C)C m_62__875850__9273986 [0,2,0,0,0,0|1,0,0]=3 1362 B8R0.7 CSCCCSC(C)C m_7__10890048__5048 [0,2,0,0,0,0|1,0,0]=3 1363 B8R0.7 CSCCNCC(C)C m_207__11946676__121216 [0,2,0,0,0,0|1,0,0]=3 1364 B8R0.7 CSCCNCC(C)O m_273610__13857796__11516404 [0,2,0,0,0,0|0,0,0]=2 1365 B8R0.7 CSCCOCC(=O)N m_22__58357__20854432 [0,2,0,0,0,0|0,0,2]=4 1366 B8R0.7 CSCCOCC(C)C m_62__9820342__876088 [0,2,0,0,0,0|1,0,0]=3 1367 B8R0.7 CSCCOCC(F)F m_62__875850__13615350 [0,2,0,0,0,0|1,0,0]=3 1368 B8R0.7 CSCCSCC(=O)N m_7__10975714__7912552 [0,2,0,0,0,0|0,0,2]=4 1369 B8R0.7 CSCCSCC(=O)O m_7__26823__7912552 [0,2,0,0,0,0|0,0,1]=3 1370 B8R0.7 CSCCSCC(C)C m_62__1010136__8268572 [0,2,0,0,0,0|1,0,0]=3 1371 B8R0.7 CSCCSCC(C)O m_7__10953796__7912552 [0,2,0,0,0,0|0,0,0]=2 1372 B8R0.7 CSCCSCC(F)F m_7__22987700__7912552 [0,2,0,0,0,0|1,0,0]=3 1373 B8R0.7 CSCCSC[C@H](C)N m_7__20871336__7912552 [0,2,0,0,0,0|1,0,0]=3 1374 B8R0.7 CSCSCCC(C)C m_7__22987856__10542644 [0,2,0,0,0,0|1,0,0]=3 1375 B8R0.7 CSCSCCC(C)N m_7__20871360__10542644 [0,2,0,0,0,0|1,0,0]=3 1376 B8R0.7 CSCSCCC(F)F m_7__22986868__10542644 [0,2,0,0,0,0|1,0,0]=3 1377 B8R0.7 CSCSCCN(C)C m_7__6950568__10542644 [0,2,0,0,0,0|2,0,0]=4 1378 B8R0.7 C[C@H](N)CSCCCF m_7__20871336__16896928 [0,2,0,0,0,0|2,0,0]=4 1379 B8R0.7 C[C@H](N)CSCCCO m_7__20871336__6354 [0,2,0,0,0,0|1,0,0]=3 1380 B8R0.7 N=C(N)NCCCCO m_58668__9433170__2227896 [0,2,0,0,0,0|1,0,1]=4 1381 B8R0.7 NC(=O)CCCCCO m_22__58357__17833544 [0,2,0,0,0,0|1,0,1]=4 1382 B8R0.7 NC(=O)CCNCCO m_273610__11554104__11515976 [0,2,0,0,0,0|2,0,0]=4 1383 B8R0.7 NC(=O)CCSCCO m_7__128807__217435 [0,2,0,0,0,0|2,0,0]=4 1384 B8R0.7 NC(=O)CSCCCO m_7__10975714__6354 [0,2,0,0,0,0|2,0,0]=4 1385 B8R0.7 NC(=O)NCCCCO m_2554__9433164__788524 [0,2,0,0,0,0|1,0,1]=4 1386 B8R0.7 O=C(O)CSCCCO m_7__26823__6354 [0,2,0,0,0,0|2,0,0]=4 1387 B8R0.7 OCCCSCC(F)F m_7__22987700__6354 [0,2,0,0,0,0|2,0,0]=4 1388 B8R0.7 OCCSCCC(F)F m_7__22986868__102708 [0,2,0,0,0,0|2,0,0]=4 1389 B8R0.3 CCC(C)N(C)CCO m_2230__10210864__2463448 [0,2,0,0,0,0|2,0,0]=4 1390 B8R0.3 CCCC(C)C(C)NC m_269862__7193148__16645812 [0,2,0,0,0,0|2,0,0]=4 1391 B8R0.3 CCCN(C)C(C)CO m_2230__7785428__13271112 [0,2,0,0,0,0|2,0,0]=4 1392 B8R0.3 CCN(C)C(C)CCO m_2230__11733728__22383854 [0,2,0,0,0,0|2,0,0]=4 1393 B8R0.3 CCN(C)C(C)CSC m_2230__5137432__22383854 [0,2,0,0,0,0|2,0,0]=4 1394 B8R0.3 CCN(C)[C@H](C)CCO m_2230__22409128__22383854 [0,2,0,0,0,0|2,0,0]=4 1395 B8R0.3 CCNC(C)C(C)CO m_2230__8740410__22383854 [0,2,0,0,0,0|2,0,0]=4 1396 B8R0.3 CCNC(C)C(C)SC m_270004__23853532__24715004 [0,2,0,0,0,0|2,0,0]=4 1397 B8R0.3 CCN[C@@H](C)[C@H](N)CO m_269982__22505312__7393392 [0,2,0,0,0,0|2,0,0]=4 1398 B8R0.3 CCSC(C)C(C)CO m_7__22987758__5047 [0,2,0,0,0,0|2,0,0]=4 1399 B8R0.3 CNC(=O)C(C)CCO m_22__387492__14468656 [0,2,0,0,0,0|1,0,1]=4 1400 B8R0.3 CNC(=O)C(N)CCO m_240690__7355834__16711380 [0,2,0,0,0,0|1,0,1]=4 1401 B8R0.3 CON(C)C(C)CCO m_2230__679026__13397858 [0,2,0,0,0,0|1,1,0]=4 1402 B8R0.3 CSCC(C)C(=O)NO m_527__388132__4434360 [0,2,0,0,0,0|1,0,1]=4 1403 B8R0.8 CC(=O)C(C)SCCO m_7__6506312__6166114 [0,2,0,0,0,0|2,0,0]=4 1404 B8R0.8 CC(=O)N(C)CCCO m_270062__12127134__15585492 [0,2,0,0,0,0|2,0,0]=4 1405 B8R0.8 CC(C)C(C)NCCO m_269862__7193048__7200270 [0,2,0,0,0,0|2,0,0]=4 1406 B8R0.8 CC(C)C(C)SCCO m_7__6286942__102708 [0,2,0,0,0,0|2,0,0]=4 1407 B8R0.8 CC(C)N(C)CCCO m_2230__3305056__2463448 [0,2,0,0,0,0|2,0,0]=4 1408 B8R0.8 CC(C)[C@H](C)NCCO m_2230__22399838__6165700 [0,2,0,0,0,0|2,0,0]=4 1409 B8R0.8 CC(CCCO)N(C)C m_2230__22407882__2463448 [0,2,0,0,0,0|1,0,0]=3 1410 B8R0.8 CC(F)C(C)NCCO m_2230__22400592__6165700 [0,2,0,0,0,0|2,0,0]=4 1411 B8R0.8 CC(N)C(C)NCCO m_269982__22505178__10880280 [0,2,0,0,0,0|2,0,0]=4 1412 B8R0.8 CC(O)C(C)NCCO m_269862__7193048__13817824 [0,2,0,0,0,0|2,0,0]=4 1413 B8R0.8 CC(O)C(C)SCCO m_7__128807__12202248 [0,2,0,0,0,0|2,0,0]=4 1414 B8R0.8 CCCCC(C)N(C)C m_2230__10346846__2463448 [0,2,0,0,0,0|2,0,0]=4 1415 B8R0.8 CCCNC(C)C(C)O m_269862__7192572__13817824 [0,2,0,0,0,0|2,0,0]=4 1416 B8R0.8 CCCN[C@H](C)[C@H](C)O m_2230__22400278__13271112 [0,2,0,0,0,0|2,0,0]=4 1417 B8R0.8 CCCSC(C)C(C)O m_7__22986886__12202248 [0,2,0,0,0,0|2,0,0]=4 1418 B8R0.8 CCNCC(C)C(C)O m_270004__23847178__24715004 [0,2,0,0,0,0|2,0,0]=4 1419 B8R0.8 CN(N)C(=O)CCCO m_240690__21583792__24783370 [0,2,0,0,0,0|1,0,1]=4 1420 B8R0.8 COCSC(C)C(C)O m_7__6286572__6762 [0,2,0,0,0,0|1,1,0]=4 1421 B8R0.8 CSCCC(C)C(F)F m_62__15357144__876088 [0,2,0,0,0,0|1,0,0]=3 1422 B8R0.8 CSCCC(C)N(C)C m_2230__7463086__2463448 [0,2,0,0,0,0|2,0,0]=4 1423 B8R0.8 CSCCC(O)C(=O)N m_22__58357__7941104 [0,2,0,0,0,0|0,0,2]=4 1424 B8R0.8 CSCCN(C)C(C)C m_7__22987322__5046 [0,2,0,0,0,0|2,0,0]=4 1425 B8R0.8 CSCC[C@@H](N)C(=O)N m_240690__7368526__13151314 [0,2,0,0,0,0|0,0,2]=4 1426 B8R0.8 CSCC[C@H](N)C(=O)N m_270006__8381712__7676554 [0,2,0,0,0,0|0,0,2]=4 1427 B8R0.8 CSCSC(C)C(C)C m_7__6286942__10542644 [0,2,0,0,0,0|2,0,0]=4 1428 B8R0.8 CSCSC(C)C(C)O m_7__6286572__10542644 [0,2,0,0,0,0|1,0,0]=3 1429 B8R0.8 C[C@H](O)[C@@H](C)NCCO m_2230__22400278__6165700 [0,2,0,0,0,0|2,0,0]=4 1430 B8R0.8 NC(=O)C(O)CCCO m_22__58357__11968308 [0,2,0,0,0,0|2,0,0]=4 1431 B8R0.9 C=C(C)CCC(C)SC m_62__875850__14426734 [0,2,0,0,0,0|1,0,1]=4 1432 B8R0.9 C=C(C)CN[C@H](C)CO m_2230__22399532__666852 [0,2,0,0,0,0|2,0,0]=4 1433 B8R0.9 C=C(C)CSC(C)CO m_7__6338928__5949 [0,2,0,0,0,0|2,0,0]=4 1434 B8R0.9 CC(=O)CN[C@H](C)CO m_2230__22399532__12369270 [0,2,0,0,0,0|2,0,0]=4 1435 B8R0.9 CC(=O)CSC(C)CO m_7__6338928__5065 [0,2,0,0,0,0|2,0,0]=4 1436 B8R0.9 CC(=O)NCC(C)CO m_270062__7625156__15585492 [0,2,0,0,0,0|2,0,0]=4 1437 B8R0.9 CC(=O)NCC(F)CO m_270062__17069734__15585492 [0,2,0,0,0,0|2,0,0]=4 1438 B8R0.9 CC(=O)NCC(N)CO m_240690__13287646__7404532 [0,2,0,0,0,0|2,0,0]=4 1439 B8R0.9 CC(=O)NC[C@@H](O)CO m_270062__19488882__15585492 [0,2,0,0,0,0|2,0,0]=4 1440 B8R0.9 CC(=O)OCC(C)CO m_1458__473186__8850362 [0,2,0,0,0,0|2,0,0]=4 1441 B8R0.9 CC(=O)OCC(O)CO m_1458__473186__22141030 [0,2,0,0,0,0|2,0,0]=4 1442 B8R0.9 CC(C)CNC(C)CO m_269862__7192632__15157990 [0,2,0,0,0,0|2,0,0]=4 1443 B8R0.9 CC(C)CN[C@H](C)CO m_207__1299140__121216 [0,2,0,0,0,0|2,0,0]=4 1444 B8R0.9 CC(C)CSC(C)CO m_7__27301__17610454 [0,2,0,0,0,0|2,0,0]=4 1445 B8R0.9 CC(C)NCC(F)CO m_269862__17069730__7204804 [0,2,0,0,0,0|2,0,0]=4 1446 B8R0.9 CC(C)NCC(O)CO m_63__8671900__8671902 [0,2,0,0,0,0|2,0,0]=4 1447 B8R0.9 CC(C)SCC(O)CO m_7__6554250__5048 [0,2,0,0,0,0|2,0,0]=4 1448 B8R0.9 CC(CO)CNC(C)C m_269862__7194914__7204804 [0,2,0,0,0,0|2,0,0]=4 1449 B8R0.9 CC(CO)CSC(C)C m_7__6078536__5048 [0,2,0,0,0,0|2,0,0]=4 1450 B8R0.9 CC(CO)SC[C@H](C)N m_7__20871336__17610454 [0,2,0,0,0,0|2,0,0]=4 1451 B8R0.9 CC(F)CNC(C)CO m_269862__13461136__15157990 [0,2,0,0,0,0|2,0,0]=4 1452 B8R0.9 CC(F)CN[C@H](C)CO m_2230__22399532__16970752 [0,2,0,0,0,0|2,0,0]=4 1453 B8R0.9 CC(F)CSC(C)CO m_7__6338928__16970746 [0,2,0,0,0,0|2,0,0]=4 1454 B8R0.9 CC(O)CNC(C)CO m_269862__7192560__15157990 [0,2,0,0,0,0|2,0,0]=4 1455 B8R0.9 CC(O)CN[C@H](C)CO m_2230__22399532__9736146 [0,2,0,0,0,0|2,0,0]=4 1456 B8R0.9 CC(O)CSC(C)CO m_7__6338928__10902704 [0,2,0,0,0,0|2,0,0]=4 1457 B8R0.9 CCC(C)NCC(C)O m_2230__22399526__9736146 [0,2,0,0,0,0|2,0,0]=4 1458 B8R0.9 CCC(C)SCC(C)O m_7__10953796__14247828 [0,2,0,0,0,0|2,0,0]=4 1459 B8R0.9 CCN(C)CC[C@H](C)O m_2230__18186218__22383854 [0,2,0,0,0,0|2,0,0]=4 1460 B8R0.9 CN(C)CCC(O)CO m_2230__22407568__2463448 [0,2,0,0,0,0|1,0,0]=3 1461 B8R0.9 CNC(C)CCC(C)C m_269862__7193148__7200192 [0,2,0,0,0,0|2,0,0]=4 1462 B8R0.9 CNC(C)CCC(F)F m_2230__22403712__2463448 [0,2,0,0,0,0|2,0,0]=4 1463 B8R0.9 CON(C)CCC(C)O m_2230__679026__12057944 [0,2,0,0,0,0|1,1,0]=4 1464 B8R0.9 CSC(C)CCC(=O)N m_22__58357__8265688 [0,2,0,0,0,0|0,0,2]=4 1465 B8R0.9 CSC(C)CCC(C)C m_62__875850__13655718 [0,2,0,0,0,0|1,0,0]=3 1466 B8R0.9 CSC(C)CNC(C)C m_269862__8259716__7204804 [0,2,0,0,0,0|2,0,0]=4 1467 B8R0.11 C#CC(CC)NCCO m_2230__22400958__6165700 [0,2,0,0,0,0|2,0,0]=4 1468 B8R0.11 C#CC(CO)NCCC m_2230__22400962__13271112 [0,2,0,0,0,0|2,0,0]=4 1469 B8R0.11 C=CCCC(CO)NC m_2230__22400100__2463448 [0,2,0,0,0,0|1,0,1]=4 1470 B8R0.11 C=C[C@H](CO)NCCC m_2230__12111600__13271112 [0,2,0,0,0,0|2,0,0]=4 1471 B8R0.11 CC#CCC(CO)NC m_2230__22399638__2463448 [0,2,0,0,0,0|1,0,1]=4 1472 B8R0.11 CC=CCC(CO)NC m_2230__22404686__2463448 [0,2,0,0,0,0|1,0,1]=4 1473 B8R0.11 CCC(C#N)NCCO m_2230__22395038__6165700 [0,2,0,0,0,0|2,0,0]=4 1474 B8R0.11 CCC(C#N)SCCO m_7__128807__9105088 [0,2,0,0,0,0|2,0,0]=4 1475 B8R0.11 CCC(CC)CCSC m_7__22987542__5046 [0,2,0,0,0,0|1,0,0]=3 1476 B8R0.11 CCC(CC)NCCO m_270004__8349608__8798310 [0,2,0,0,0,0|2,0,0]=4 1477 B8R0.11 CCC(CC)SCCO m_7__2559076__102708 [0,2,0,0,0,0|2,0,0]=4 1478 B8R0.11 CCC(CC)SCSC m_7__2559076__10542644 [0,2,0,0,0,0|2,0,0]=4 1479 B8R0.11 CCC(CCCO)NC m_2230__22399890__2463448 [0,2,0,0,0,0|1,0,0]=3 1480 B8R0.11 CCC(CCOC)NC m_2230__22403596__2463448 [0,2,0,0,0,0|1,1,0]=4 1481 B8R0.11 CCC(CF)NCCO m_2230__22400144__6165700 [0,2,0,0,0,0|2,0,0]=4 1482 B8R0.11 CCC(CN)NCCO m_269982__22505480__10880280 [0,2,0,0,0,0|2,0,0]=4 1483 B8R0.11 CCC(CN)SCCO m_7__20871318__6166114 [0,2,0,0,0,0|2,0,0]=4 1484 B8R0.11 CCC(CO)NCCO m_2230__13047752__6165700 [0,2,0,0,0,0|2,0,0]=4 1485 B8R0.11 CCC(CO)SCCO m_7__128807__12622184 [0,2,0,0,0,0|2,0,0]=4 1486 B8R0.11 CCCCC(CC)NC m_269862__7193148__7200800 [0,2,0,0,0,0|2,0,0]=4 1487 B8R0.11 CCCCC(CN)NC m_269982__22505506__14064228 [0,2,0,0,0,0|2,0,0]=4 1488 B8R0.11 CCCNC(CC)CO m_2230__13047752__13271112 [0,2,0,0,0,0|2,0,0]=4 1489 B8R0.11 CCCNC(CN)CO m_269982__22505370__13271120 [0,2,0,0,0,0|2,0,0]=4 1490 B8R0.11 CCCNC(CO)CO m_2230__10738176__13271112 [0,2,0,0,0,0|2,0,0]=4 1491 B8R0.11 CCCN[C@@H](CO)CF m_2230__22400244__13271112 [0,2,0,0,0,0|2,0,0]=4 1492 B8R0.11 CCCSC(CC)CO m_7__22986886__12622184 [0,2,0,0,0,0|2,0,0]=4 1493 B8R0.11 CCN(CC)CCCO m_2230__678602__680950 [0,2,0,0,0,0|2,0,0]=4 1494 B8R0.11 CCN(CC)CCSC m_7__6166116__5046 [0,2,0,0,0,0|2,0,0]=4 1495 B8R0.11 CCNCC(CC)CO m_270004__14523572__24715004 [0,2,0,0,0,0|2,0,0]=4 1496 B8R0.11 CCNCC(CO)OC m_270004__13952054__24715004 [0,2,0,0,0,0|2,0,0]=4 1497 B8R0.11 CCSCC(C#N)CO m_7__22987770__22787494 [0,2,0,0,0,0|2,0,0]=4 1498 B8R0.11 CCSCC(CO)OC m_7__22987770__23163468 [0,2,0,0,0,0|2,0,0]=4 1499 B8R0.11 CNC(CO)CCOC m_2230__22399854__2463448 [0,2,0,0,0,0|0,1,0]=3 1500 B8R0.11 CN[C@H](CO)CCCO m_2230__22397088__2463448 [0,2,0,0,0,0|1,0,0]=3 1501 B8R0.11 CN[C@H](CO)CCSC m_2230__22397490__2463448 [0,2,0,0,0,0|0,0,0]=2 1502 B8R0.19 CCC(C)CC(C)NC m_2230__22399368__2463448 [0,2,0,0,0,0|2,0,0]=4 1503 B8R0.19 CCC(C)NC(C)CO m_269862__7192700__15157990 [0,2,0,0,0,0|2,0,0]=4 1504 B8R0.19 CCC(C)N[C@H](C)CO m_269862__7194864__7200134 [0,2,0,0,0,0|2,0,0]=4 1505 B8R0.19 CCC(C)SC(C)CO m_7__6338928__14247828 [0,2,0,0,0,0|2,0,0]=4 1506 B8R0.19 CCN(C)CC(C)CO m_2230__5903708__22383854 [0,2,0,0,0,0|2,0,0]=4 1507 B8R0.19 CCN(C)CC(C)SC m_270004__24150282__24715004 [0,2,0,0,0,0|2,0,0]=4 1508 B8R0.19 CCN(C)CC(O)CO m_2230__22399220__2463448 [0,2,0,0,0,0|2,0,0]=4 1509 B8R0.19 CCN(C)C[C@@H](O)CO m_2230__22405902__22383854 [0,2,0,0,0,0|2,0,0]=4 1510 B8R0.19 CCS(=O)CC(O)CO m_265282__10978846__4273536 [0,2,0,0,0,0|2,0,0]=4 1511 B8R0.19 CNC(=O)C[C@@H](N)CO m_240690__7355834__15491892 [0,2,0,0,0,0|1,0,1]=4 1512 B8R0.19 CNC(=O)C[C@H](N)CO m_240690__7355834__17507420 [0,2,0,0,0,0|1,0,1]=4 1513 B8R0.19 CON(C)CC(C)CO m_2230__679026__7968764 [0,2,0,0,0,0|1,1,0]=4 1514 B8R0.19 CON(C)CC(O)CO m_2230__679026__3173054 [0,2,0,0,0,0|1,1,0]=4 1515 B8R0.19 CON(C)C[C@H](O)CO m_2230__679026__679958 [0,2,0,0,0,0|1,1,0]=4 1516 B8R0.19 CSC(C)CC(=O)NO m_527__388132__7841204 [0,2,0,0,0,0|1,0,1]=4 1517 B8R0.25 CCC(C)(C)CCSC m_62__11972488__876088 [0,2,0,0,0,0|1,0,0]=3 1518 B8R0.25 CCC(C)(C)NCCO m_2230__804688__6165700 [0,2,0,0,0,0|2,0,0]=4 1519 B8R0.25 CCCCC(C)(C)NC m_2230__22397646__2463448 [0,2,0,0,0,0|2,0,0]=4 1520 B8R0.25 CCCNC(C)(C)CO m_2230__3081244__13271112 [0,2,0,0,0,0|2,0,0]=4 1521 B8R0.25 CCCSC(C)(C)CO m_7__22987538__14390332 [0,2,0,0,0,0|2,0,0]=4 1522 B8R0.25 CCNCC(C)(C)CO m_270004__8299516__24715004 [0,2,0,0,0,0|2,0,0]=4 1523 B8R0.25 CCNCC(C)(C)SC m_270004__8297430__24715004 [0,2,0,0,0,0|2,0,0]=4 1524 B8R0.25 CCNCC(F)(F)CO m_270004__8859524__24715004 [0,2,0,0,0,0|2,0,0]=4 1525 B8R0.25 CCS(=O)(=O)CCCO m_2714__10972296__862376 [0,2,0,0,0,0|2,0,0]=4 1526 B8R0.25 CCS(=O)(=O)CCSC m_7__11757144__7912552 [0,2,0,0,0,0|2,0,0]=4 1527 B8R0.25 CCSCC(C)(C)CO m_7__15105602__5047 [0,2,0,0,0,0|2,0,0]=4 1528 B8R0.25 CCSC[C@](C)(O)CO m_7__22987770__22788526 [0,2,0,0,0,0|2,0,0]=4 1529 B8R0.25 CNC(C)(C)CCCN m_269982__22505314__14064228 [0,2,0,0,0,0|2,0,0]=4 1530 B8R0.25 CNC(C)(C)CCCO m_2230__22404324__2463448 [0,2,0,0,0,0|1,0,0]=3 1531 B8R0.25 COC(C)(C)CCSC m_62__9196654__876088 [0,2,0,0,0,0|2,0,0]=4 1532 B8R0.25 COCSC(C)(C)CO m_7__22987538__6762 [0,2,0,0,0,0|1,1,0]=4 1533 B8R0.25 CSCCC(C)(C)C#N m_62__10177344__876088 [0,2,0,0,0,0|1,0,1]=4 1534 B8R0.25 CSCSC(C)(C)CO m_7__22987538__10542644 [0,2,0,0,0,0|1,0,0]=3 1535 B8R0.5 C=C(C)CN(C)CCO m_2230__12158106__6165700 [0,2,0,0,0,0|2,0,0]=4 1536 B8R0.5 CC(=O)CN(C)CCO m_2230__679202__12369270 [0,2,0,0,0,0|2,0,0]=4 1537 B8R0.5 CC(=O)NC(C)CCO m_270062__7625244__15585492 [0,2,0,0,0,0|2,0,0]=4 1538 B8R0.5 CC(C)CN(C)CCO m_2230__14592070__2463448 [0,2,0,0,0,0|2,0,0]=4 1539 B8R0.5 CC(C)CS(=O)CCO m_265282__7088216__14924542 [0,2,0,0,0,0|2,0,0]=4 1540 B8R0.5 CC(C)NC(C)CCO m_269862__7198430__7204804 [0,2,0,0,0,0|2,0,0]=4 1541 B8R0.5 CC(C)SC(C)CCO m_7__5819074__5048 [0,2,0,0,0,0|2,0,0]=4 1542 B8R0.5 CC(CCO)CN(C)C m_2230__22406006__2463448 [0,2,0,0,0,0|1,0,0]=3 1543 B8R0.5 CC(F)CN(C)CCO m_2230__679202__16970752 [0,2,0,0,0,0|2,0,0]=4 1544 B8R0.5 CC(F)CS(=O)CCO m_265282__7088216__16913496 [0,2,0,0,0,0|2,0,0]=4 1545 B8R0.5 CC(O)CN(C)CCO m_2230__679202__9736146 [0,2,0,0,0,0|2,0,0]=4 1546 B8R0.5 CCCC(C)CN(C)C m_2230__14478600__2463448 [0,2,0,0,0,0|2,0,0]=4 1547 B8R0.5 CCCC(O)CN(C)C m_2230__17660948__2463448 [0,2,0,0,0,0|2,0,0]=4 1548 B8R0.5 CCCN(C)CC(C)O m_2230__2261920__10638028 [0,2,0,0,0,0|2,0,0]=4 1549 B8R0.5 CCNC(C)CC(C)O m_2230__22399846__22383854 [0,2,0,0,0,0|2,0,0]=4 1550 B8R0.5 CN(C)CC(O)CCO m_2230__22406390__2463448 [0,2,0,0,0,0|1,0,0]=3 1551 B8R0.5 CSCC(C)CC(C)C m_62__9746872__876088 [0,2,0,0,0,0|1,0,0]=3 1552 B8R0.5 CSCC(C)CC(F)F m_62__14048794__876088 [0,2,0,0,0,0|1,0,0]=3 1553 B8R0.5 CSCC(C)NC(C)C m_269862__7198390__7204804 [0,2,0,0,0,0|2,0,0]=4 1554 B8R0.5 CSC[C@H](N)CC(C)C m_7__20871394__5046 [0,2,0,0,0,0|1,0,0]=3 1555 B8R0.5 C[C@H](N)CN(C)CCO m_269982__22515300__25012480 [0,2,0,0,0,0|2,0,0]=4 1556 B8R0.21 CC(C)(C)CNCCO m_207__121484__2989454 [0,2,0,0,0,0|2,0,0]=4 1557 B8R0.21 CC(C)(C)CSCCO m_7__9780138__102708 [0,2,0,0,0,0|2,0,0]=4 1558 B8R0.21 CC(C)(C)NCCCO m_2230__3081242__680950 [0,2,0,0,0,0|2,0,0]=4 1559 B8R0.21 CC(C)(F)CNCCO m_270004__8349608__17541580 [0,2,0,0,0,0|2,0,0]=4 1560 B8R0.21 CC(C)(F)CSCCO m_62__23075284__10178562 [0,2,0,0,0,0|2,0,0]=4 1561 B8R0.21 CC(C)(N)CSCCO m_7__22849170__6166114 [0,2,0,0,0,0|2,0,0]=4 1562 B8R0.21 CC(C)(O)CSCCO m_7__22987452__102708 [0,2,0,0,0,0|2,0,0]=4 1563 B8R0.21 CC(F)(F)SCCCO m_7__10972294__16733592 [0,2,0,0,0,0|2,0,0]=4 1564 B8R0.21 CCCCCS(=O)(=O)C m_2714__8271844__862380 [0,2,0,0,0,0|1,0,1]=4 1565 B8R0.21 CCCSCC(C)(C)O m_7__22987452__14390332 [0,2,0,0,0,0|2,0,0]=4 1566 B8R0.21 CCNCCC(C)(C)O m_270004__8992694__24715004 [0,2,0,0,0,0|2,0,0]=4 1567 B8R0.21 CCSCCC(C)(C)O m_7__11758710__5047 [0,2,0,0,0,0|2,0,0]=4 1568 B8R0.21 COCSCC(C)(C)O m_7__22987452__6762 [0,2,0,0,0,0|1,1,0]=4 1569 B8R0.21 CP(=O)(C)CNCCO m_2230__19438450__6165700 [0,2,0,0,0,0|2,0,0]=4 1570 B8R0.21 CP(=O)(C)CSCCO m_7__128807__18353260 [0,2,0,0,0,0|2,0,0]=4 1571 B8R0.21 CS(=O)(=O)CCCCF m_1500__766206__10157920 [0,2,0,0,0,0|1,0,1]=4 1572 B8R0.21 CS(=O)(=O)CSCCO m_7__128807__22787172 [0,2,0,0,0,0|1,0,1]=4 1573 B8R0.21 CS(=O)(=O)NCCCO m_40__5439030__124042 [0,2,0,0,0,0|1,0,1]=4 1574 B8R0.21 CSCCCC(C)(C)C m_62__9106512__876088 [0,2,0,0,0,0|1,0,0]=3 1575 B8R0.21 CSCCCC(C)(F)F m_62__13153472__876088 [0,2,0,0,0,0|1,0,0]=3 1576 B8R0.21 CSCCCC(F)(F)F m_62__11246912__876088 [0,2,0,0,0,0|1,0,0]=3 1577 B8R0.21 CSCCCS(=O)(=O)C m_1500__766206__16930432 [0,2,0,0,0,0|1,0,1]=4 1578 B8R0.21 CSCCCS(=O)(=O)N m_40__79957__17626190 [0,2,0,0,0,0|1,0,1]=4 1579 B8R0.21 CSCCNC(C)(C)C m_2230__3081242__681390 [0,2,0,0,0,0|2,0,0]=4 1580 B8R0.21 CSCCOC(C)(C)C m_62__2161526__876088 [0,2,0,0,0,0|2,0,0]=4 1581 B8R0.21 CSCCSC(C)(C)C m_7__9435968__5046 [0,2,0,0,0,0|2,0,0]=4 1582 B8R0.21 CSCCSC(F)(F)F m_62__875850__13038828 [0,2,0,0,0,0|2,0,0]=4 1583 B8R0.21 CSCSCC(C)(C)C m_7__9780138__10542644 [0,2,0,0,0,0|2,0,0]=4 1584 B8R0.21 CSCSCC(C)(C)O m_7__22987452__10542644 [0,2,0,0,0,0|1,0,0]=3 1585 B8R0.21 CSCSCC(F)(F)F m_7__22987388__10542644 [0,2,0,0,0,0|2,0,0]=4 1586 B8R0.21 C[Si](C)(C)CSCCO m_7__17541628__6166114 [0,2,0,0,0,0|2,0,0]=4 1587 B8R0.28 C=C(C)CNCC(C)O m_273610__13857164__11516404 [0,2,0,0,0,0|2,0,0]=4 1588 B8R0.28 C=C(C)CSCC(C)O m_7__10953796__5949 [0,2,0,0,0,0|2,0,0]=4 1589 B8R0.28 CC(=O)CSCC(C)O m_7__10953796__5065 [0,2,0,0,0,0|2,0,0]=4 1590 B8R0.28 CC(=O)NCCC(C)O m_270062__7618672__15585492 [0,2,0,0,0,0|2,0,0]=4 1591 B8R0.28 CC(=O)NCC[C@@H](C)O m_22__7344840__58844 [0,2,0,0,0,0|2,0,0]=4 1592 B8R0.28 CC(=O)OCCC(C)O m_1458__473186__12057942 [0,2,0,0,0,0|2,0,0]=4 1593 B8R0.28 CC(C)CCCN(C)C m_2230__13824066__2463448 [0,2,0,0,0,0|2,0,0]=4 1594 B8R0.28 CC(C)CCCS(=O)C m_265282__8333116__4273530 [0,2,0,0,0,0|1,0,1]=4 1595 B8R0.28 CC(C)CNCC(C)O m_273610__13857024__11516404 [0,2,0,0,0,0|2,0,0]=4 1596 B8R0.28 CC(C)CSCC(C)O m_7__27301__10902704 [0,2,0,0,0,0|2,0,0]=4 1597 B8R0.28 CC(O)CCCN(C)C m_2230__22405892__2463448 [0,2,0,0,0,0|1,0,0]=3 1598 B8R0.28 CC(O)CCNC(C)C m_269862__7198110__7204804 [0,2,0,0,0,0|2,0,0]=4 1599 B8R0.28 CC(O)CCSC(C)C m_62__12057938__2390352 [0,2,0,0,0,0|2,0,0]=4 1600 B8R0.28 CC(O)CNCC(C)F m_273610__13857892__11516404 [0,2,0,0,0,0|2,0,0]=4 1601 B8R0.28 CC(O)CNCC(C)O m_273610__11554114__11516404 [0,2,0,0,0,0|2,0,0]=4 1602 B8R0.28 CC(O)CSCC(C)F m_7__10953796__16970746 [0,2,0,0,0,0|2,0,0]=4 1603 B8R0.28 CC(O)CSCC(C)O m_7__10953796__10902704 [0,2,0,0,0,0|2,0,0]=4 1604 B8R0.28 CC(O)CSC[C@H](C)N m_7__20871336__10902704 [0,2,0,0,0,0|2,0,0]=4 1605 B8R0.28 CN(C)CCCC(=O)O m_269956__7329816__22415160 [0,2,0,0,0,0|1,0,1]=4 1606 B8R0.22 CCCC(CCC)NC m_269862__7193148__7200138 [0,2,0,0,0,0|2,0,0]=4 1607 B8R0.22 CCCC(CCC)SC m_7__2263844__5046 [0,2,0,0,0,0|2,0,0]=4 1608 B8R0.22 CCCC(CCO)NC m_2230__22404136__2463448 [0,2,0,0,0,0|1,0,0]=3 1609 B8R0.22 CCCC(CCO)SC m_7__22987938__5046 [0,2,0,0,0,0|1,0,0]=3 1610 B8R0.22 CCCC(CSC)OC m_7__22987644__5046 [0,2,0,0,0,0|1,0,0]=3 1611 B8R0.22 CCCN(CC)CCO m_2230__2234344__6165700 [0,2,0,0,0,0|2,0,0]=4 1612 B8R0.22 CCCN(CCO)OC m_2230__9111768__13271112 [0,2,0,0,0,0|2,0,0]=4 1613 B8R0.22 CCNC(CC)CSC m_2230__22400696__22383854 [0,2,0,0,0,0|2,0,0]=4 1614 B8R0.22 CCNC(CO)CCO m_2230__22404146__22383854 [0,2,0,0,0,0|2,0,0]=4 1615 B8R0.22 CCN[C@@H](CC)CCO m_2230__22403216__22383854 [0,2,0,0,0,0|2,0,0]=4 1616 B8R0.22 CCN[C@@H](CO)CSC m_2230__22400134__22383854 [0,2,0,0,0,0|2,0,0]=4 1617 B8R0.22 CCSC(CC)CCO m_7__22987708__5047 [0,2,0,0,0,0|2,0,0]=4 1618 B8R0.22 CNC(CCO)COC m_2230__22400870__2463448 [0,2,0,0,0,0|0,1,0]=3 1619 B8R0.22 COCC(CSC)OC m_62__12056174__876088 [0,2,0,0,0,0|2,0,0]=4 1620 B8R0.30 CCNC(C)(C)CCO m_2230__22483446__22383854 [0,2,0,0,0,0|2,0,0]=4 1621 B8R0.30 CCNC(C)(C)CSC m_2230__13445220__22383854 [0,2,0,0,0,0|2,0,0]=4 1622 B8R0.30 CCSC(C)(C)CCO m_7__22988032__5047 [0,2,0,0,0,0|2,0,0]=4 1623 B6R1.2 CN1CCCC1 m_2230__678722__2463448 [1,0,0,1,0,0|1,0,0]=3 1624 B6R1.3 CCSC1CC1 m_7__22987770__16761930 [1,0,0,1,0,0|2,0,0]=4 1625 B6R1.3 CNCC1CC1 m_207__134027__2989440 [1,0,0,1,0,0|1,0,0]=3 1626 B6R1.3 CSCC1CC1 m_62__7141820__876088 [1,0,0,1,0,0|0,0,0]=2 1627 B6R1.3 ON=CC1CC1 m_4__388124__7831630 [1,0,0,1,0,0|1,0,1]=4 1628 B6R1.6 CNC1COC1 m_269862__7193148__7931470 [1,0,0,1,0,0|1,1,0]=4 1629 B6R1.6 CSC1CCC1 m_7__10684076__5046 [1,0,0,1,0,0|0,0,0]=2 1630 B6R1.6 CSC1CNC1 m_7__22987816__5046 [1,0,0,1,0,0|1,0,0]=3 1631 B6R1.6 CSC1COC1 m_7__13420946__5046 [1,0,0,1,0,0|1,0,0]=3 1632 B6R1.6 CSC1CSC1 m_7__20064714__5046 [1,0,0,1,0,0|1,0,0]=3 1633 B8R1.2 CCC1CNCCN1 m_269982__23917336__14064228 [0,1,0,1,0,0|2,0,0]=4 1634 B8R1.2 CCN1CCCCC1 m_2230__679042__22383854 [0,1,0,1,0,0|2,0,0]=4 1635 B8R1.2 CCN1CCSCC1 m_2230__848268__22383854 [0,1,0,1,0,0|2,0,0]=4 1636 B8R1.2 CNC1CCCCC1 m_269862__7193148__7200184 [0,1,0,1,0,0|2,0,0]=4 1637 B8R1.2 CNC1CCCSC1 m_269862__7193148__8157488 [0,1,0,1,0,0|1,0,0]=3 1638 B8R1.2 CNC1CCOCC1 m_269862__7193148__7200780 [0,1,0,1,0,0|2,0,0]=4 1639 B8R1.2 CNC1CCSCC1 m_269862__7193148__7200570 [0,1,0,1,0,0|2,0,0]=4 1640 B8R1.2 CNC1CSCSC1 m_269862__7193148__17507812 [0,1,0,1,0,0|2,0,0]=4 1641 B8R1.2 CSC1CCCCC1 m_7__27197__5046 [0,1,0,1,0,0|1,0,0]=3 1642 B8R1.2 CSC1CCCNC1 m_7__22871154__5046 [0,1,0,1,0,0|1,0,0]=3 1643 B8R1.2 CSC1CCCOC1 m_7__8601826__5046 [0,1,0,1,0,0|0,0,0]=2 1644 B8R1.2 CSC1CCNCC1 m_7__22986816__5046 [0,1,0,1,0,0|1,0,0]=3 1645 B8R1.2 CSC1CCOCC1 m_7__7834816__5046 [0,1,0,1,0,0|1,0,0]=3 1646 B8R1.2 CSC1CCSCC1 m_7__15266834__5046 [0,1,0,1,0,0|1,0,0]=3 1647 B8R1.2 ON=C1CCCCC1 m_4__388124__66784 [0,1,0,1,0,0|1,0,1]=4 1648 B8R1.2 ON=C1CCCOC1 m_4__388124__4990814 [0,1,0,1,0,0|0,1,1]=4 1649 B8R1.2 ON=C1CCCSC1 m_4__388124__10543650 [0,1,0,1,0,0|0,0,1]=3 1650 B8R1.2 ON=C1CCSCC1 m_4__388124__67633 [0,1,0,1,0,0|1,0,1]=4 1651 B8R1.5 CC1CCCCN1C m_2230__678754__2463448 [0,1,0,1,0,0|2,0,0]=4 1652 B8R1.5 CC1CNCCN1C m_269982__7368790__14064228 [0,1,0,1,0,0|2,0,0]=4 1653 B8R1.5 CC1COCCN1C m_2230__679548__2463448 [0,1,0,1,0,0|2,0,0]=4 1654 B8R1.5 CC1CSCCN1C m_2230__5359444__2463448 [0,1,0,1,0,0|2,0,0]=4 1655 B8R1.5 C[C@@H]1CCCCN1C m_2230__22409340__2463448 [0,1,0,1,0,0|2,0,0]=4 1656 B8R1.5 C[C@H]1COCCN1C m_2230__10745968__2463448 [0,1,0,1,0,0|2,0,0]=4 1657 B8R1.8 CCCN1CCCC1 m_2230__678722__13271112 [0,1,0,1,0,0|2,0,0]=4 1658 B8R1.8 CCNC1CCCC1 m_207__121480__121596 [0,1,0,1,0,0|2,0,0]=4 1659 B8R1.8 CCNC1CCOC1 m_270004__8160850__8157394 [0,1,0,1,0,0|1,1,0]=4 1660 B8R1.8 CCNC1CCSC1 m_270004__8160850__8157326 [0,1,0,1,0,0|1,0,0]=3 1661 B8R1.8 CCN[C@H]1CCOC1 m_270004__13947678__24715004 [0,1,0,1,0,0|1,1,0]=4 1662 B8R1.8 CCSC1CCCC1 m_62__875846__10178584 [0,1,0,1,0,0|1,0,0]=3 1663 B8R1.8 CCSC1CCOC1 m_62__875846__10903820 [0,1,0,1,0,0|1,1,0]=4 1664 B8R1.8 CCSC1CCSC1 m_7__15266840__5047 [0,1,0,1,0,0|1,0,0]=3 1665 B8R1.8 CCS[C@H]1CCNC1 m_7__22987620__5047 [0,1,0,1,0,0|2,0,0]=4 1666 B8R1.8 CNCC1CCSC1 m_207__134027__9438738 [0,1,0,1,0,0|1,0,0]=3 1667 B8R1.8 CSCC1=CCCC1 m_62__875850__11572528 [0,1,0,1,0,0|1,0,0]=3 1668 B8R1.8 CSCC1C=CCC1 m_62__875850__14322920 [0,1,0,1,0,0|1,0,0]=3 1669 B8R1.8 CSCC1CC=CC1 m_62__875850__12108678 [0,1,0,1,0,0|1,0,1]=4 1670 B8R1.8 CSCC1CCCC1 m_62__875850__8766438 [0,1,0,1,0,0|1,0,0]=3 1671 B8R1.8 CSCC1CCCN1 m_7__22987948__5046 [0,1,0,1,0,0|1,0,0]=3 1672 B8R1.8 CSCC1CCCO1 m_62__875850__9419582 [0,1,0,1,0,0|0,0,0]=2 1673 B8R1.8 CSCC1CCOC1 m_62__875850__8794298 [0,1,0,1,0,0|0,0,0]=2 1674 B8R1.8 CSCC1OCCO1 m_7__22987978__5046 [0,1,0,1,0,0|0,0,0]=2 1675 B8R1.8 FCCN1CCCC1 m_2230__678722__22320836 [0,1,0,1,0,0|2,0,0]=4 1676 B8R1.8 NCCN1CCCC1 m_269982__7368900__14439794 [0,1,0,1,0,0|2,0,0]=4 1677 B8R1.8 OCCN1CCCC1 m_2230__678722__6165700 [0,1,0,1,0,0|1,0,0]=3 1678 B8R1.8 ON=CC1CCCC1 m_4__388124__6007722 [0,1,0,1,0,0|1,0,1]=4 1679 B8R1.8 ON=CC1CCSC1 m_4__388124__9438736 [0,1,0,1,0,0|0,0,1]=3 1680 B8R1.9 CCNCC1CC1C m_270004__8290112__24715004 [0,1,0,1,0,0|2,0,0]=4 1681 B8R1.9 CCNCC1CC1Cl m_270004__18333456__24715004 [0,1,0,1,0,0|2,0,0]=4 1682 B8R1.9 CCNC[C@@H]1C[C@H]1Br m_270004__23833090__24715004 [0,1,0,1,0,0|2,0,0]=4 1683 B8R1.9 CCNC[C@@H]1C[C@H]1C m_270004__16491714__24715004 [0,1,0,1,0,0|2,0,0]=4 1684 B8R1.9 CCNC[C@@H]1C[C@H]1F m_270004__23817766__24715004 [0,1,0,1,0,0|2,0,0]=4 1685 B8R1.9 CCNC[C@@H]1C[C@H]1O m_270004__25073046__24715004 [0,1,0,1,0,0|1,0,0]=3 1686 B8R1.9 CCSCC1CC1Br m_7__22987770__15765428 [0,1,0,1,0,0|1,0,0]=3 1687 B8R1.9 CCSCC1CC1C m_62__12216592__6469026 [0,1,0,1,0,0|1,0,0]=3 1688 B8R1.9 CCSC[C@@H]1C[C@H]1C m_62__875846__23861442 [0,1,0,1,0,0|1,0,0]=3 1689 B8R1.10 C#CCSC1CSC1 m_7__20064714__6266 [0,1,0,1,0,0|1,0,1]=4 1690 B8R1.10 C=CCSC1CSC1 m_7__20064714__3427024 [0,1,0,1,0,0|1,0,1]=4 1691 B8R1.10 CCCNC1COC1 m_269862__7192572__7931470 [0,1,0,1,0,0|1,1,0]=4 1692 B8R1.10 CCCSC1CCC1 m_7__10684076__14390332 [0,1,0,1,0,0|2,0,0]=4 1693 B8R1.10 CCCSC1CNC1 m_7__22987816__14390332 [0,1,0,1,0,0|2,0,0]=4 1694 B8R1.10 CCCSC1COC1 m_7__13420946__14390332 [0,1,0,1,0,0|1,1,0]=4 1695 B8R1.10 CCCSC1CSC1 m_7__20064714__14390332 [0,1,0,1,0,0|1,0,0]=3 1696 B8R1.10 CCNCC1CCC1 m_270004__8160850__24715052 [0,1,0,1,0,0|2,0,0]=4 1697 B8R1.10 CCNCC1COC1 m_207__121480__22332602 [0,1,0,1,0,0|1,1,0]=4 1698 B8R1.10 CCNCC1CSC1 m_270004__12420068__24715004 [0,1,0,1,0,0|1,0,0]=3 1699 B8R1.10 CCNC[C@H]1CCO1 m_270004__23851266__24715004 [0,1,0,1,0,0|1,0,0]=3 1700 B8R1.10 CCSCC1CCC1 m_62__875846__6007778 [0,1,0,1,0,0|1,0,0]=3 1701 B8R1.10 CCSCC1COC1 m_62__875846__16613884 [0,1,0,1,0,0|1,1,0]=4 1702 B8R1.10 CCSC[C@H]1CCO1 m_7__22987770__17058812 [0,1,0,1,0,0|0,0,0]=2 1703 B8R1.10 COCSC1CNC1 m_7__22987816__6762 [0,1,0,1,0,0|2,0,0]=4 1704 B8R1.10 CSCCC1CCC1 m_62__875850__12121634 [0,1,0,1,0,0|1,0,0]=3 1705 B8R1.10 CSCSC1CNC1 m_7__22987816__10542644 [0,1,0,1,0,0|2,0,0]=4 1706 B8R1.10 FCCNC1COC1 m_269862__9706110__7931470 [0,1,0,1,0,0|1,1,0]=4 1707 B8R1.10 FCCSC1CCC1 m_7__10684076__22320828 [0,1,0,1,0,0|2,0,0]=4 1708 B8R1.10 FCCSC1CNC1 m_7__22987816__22320828 [0,1,0,1,0,0|2,0,0]=4 1709 B8R1.10 FCCSC1COC1 m_7__13420946__22320828 [0,1,0,1,0,0|1,1,0]=4 1710 B8R1.10 FCCSC1CSC1 m_7__20064714__22320828 [0,1,0,1,0,0|1,0,0]=3 1711 B8R1.10 N#CCSC1CSC1 m_7__20064714__5055 [0,1,0,1,0,0|1,0,1]=4 1712 B8R1.10 NCCSC1CCC1 m_7__20871276__13420952 [0,1,0,1,0,0|2,0,0]=4 1713 B8R1.10 NCCSC1COC1 m_7__20871276__10173692 [0,1,0,1,0,0|1,1,0]=4 1714 B8R1.10 OCCNC1COC1 m_269862__7193048__7931470 [0,1,0,1,0,0|0,1,0]=3 1715 B8R1.10 OCCSC1CCC1 m_7__10684076__6166114 [0,1,0,1,0,0|1,0,0]=3 1716 B8R1.10 OCCSC1CNC1 m_7__22987816__102708 [0,1,0,1,0,0|1,0,0]=3 1717 B8R1.10 OCCSC1COC1 m_7__13420946__6166114 [0,1,0,1,0,0|0,1,0]=3 1718 B8R1.10 OCCSC1CSC1 m_7__20064714__6166114 [0,1,0,1,0,0|0,0,0]=2 1719 B8R1.11 C#CC1CCCN1C m_2230__13460984__2463448 [0,1,0,1,0,0|2,0,0]=4 1720 B8R1.11 C=CC1CCCN1C m_2230__22409578__2463448 [0,1,0,1,0,0|2,0,0]=4 1721 B8R1.11 CC1CCCC1=NO m_4__388124__3351302 [0,1,0,1,0,0|1,0,1]=4 1722 B8R1.11 CC1CSCC1=NO m_4__388124__10118206 [0,1,0,1,0,0|1,0,1]=4 1723 B8R1.11 CC1SCCC1=NO m_4__388124__10542378 [0,1,0,1,0,0|1,0,1]=4 1724 B8R1.11 CCC1CCCN1C m_2230__4599928__2463448 [0,1,0,1,0,0|2,0,0]=4 1725 B8R1.11 CCN1CCCC1C m_2230__6338494__22383854 [0,1,0,1,0,0|2,0,0]=4 1726 B8R1.11 CN1CC=CC1CO m_2230__12911330__2463448 [0,1,0,1,0,0|1,0,1]=4 1727 B8R1.11 CN1CCCC1C#N m_2230__15475562__2463448 [0,1,0,1,0,0|2,0,0]=4 1728 B8R1.11 CN1CCCC1CO m_2230__3379024__2463448 [0,1,0,1,0,0|1,0,0]=3 1729 B8R1.11 CN1CCC[C@H]1CF m_2230__17313732__2463448 [0,1,0,1,0,0|2,0,0]=4 1730 B8R1.11 CNC1CCCC1C m_2230__9296222__2463448 [0,1,0,1,0,0|2,0,0]=4 1731 B8R1.11 CNC1CCCC1O m_269862__7193148__15158002 [0,1,0,1,0,0|1,0,0]=3 1732 B8R1.11 CNC1CCOC1C m_269862__7193148__7638882 [0,1,0,1,0,0|2,0,0]=4 1733 B8R1.11 CNC1COCC1C m_2230__13166314__2463448 [0,1,0,1,0,0|2,0,0]=4 1734 B8R1.11 CNC1CSCC1C m_2230__10125964__2463448 [0,1,0,1,0,0|2,0,0]=4 1735 B8R1.11 CN[C@@H]1CNC[C@H]1C m_269982__22505224__14064228 [0,1,0,1,0,0|2,0,0]=4 1736 B8R1.11 CN[C@H]1CCC[C@H]1C m_2230__22399140__2463448 [0,1,0,1,0,0|2,0,0]=4 1737 B8R1.11 CN[C@H]1CCC[C@H]1N m_269982__17754792__14064228 [0,1,0,1,0,0|2,0,0]=4 1738 B8R1.11 CN[C@H]1CCO[C@H]1C m_2230__15404788__2463448 [0,1,0,1,0,0|2,0,0]=4 1739 B8R1.11 CN[C@H]1CNC[C@H]1C m_269982__22505270__14064228 [0,1,0,1,0,0|2,0,0]=4 1740 B8R1.11 CN[C@H]1COC[C@H]1C m_2230__22403954__2463448 [0,1,0,1,0,0|2,0,0]=4 1741 B8R1.11 CSC1CCNC1=O m_62__875850__7426812 [0,1,0,1,0,0|0,0,2]=4 1742 B8R1.11 CSC1CCOC1=O m_7__10910158__5046 [0,1,0,1,0,0|0,0,2]=4 1743 B8R1.11 CSC1CCOC1C m_7__7791670__5046 [0,1,0,1,0,0|1,0,0]=3 1744 B8R1.11 CS[C@H]1COC[C@H]1F m_62__875850__18327624 [0,1,0,1,0,0|1,0,0]=3 1745 B8R1.12 CCC1CCC1=NO m_4__388124__10177946 [0,1,0,1,0,0|1,0,1]=4 1746 B8R1.12 CCC1CCN1CC m_270004__10437848__24715004 [0,1,0,1,0,0|2,0,0]=4 1747 B8R1.12 CCN1CCC1CF m_270004__17655284__24715004 [0,1,0,1,0,0|2,0,0]=4 1748 B8R1.12 CCN1CCC1CO m_270004__24176176__24715004 [0,1,0,1,0,0|1,0,0]=3 1749 B8R1.12 CNC1CCC1CO m_269862__7193148__17047872 [0,1,0,1,0,0|1,0,0]=3 1750 B8R1.12 CSC1CCC1=NO m_4__388124__11402852 [0,1,0,1,0,0|0,0,1]=3 1751 B8R1.13 CCNC1CCC1C m_269862__7865270__9109936 [0,1,0,1,0,0|2,0,0]=4 1752 B8R1.13 CCN[C@H]1CC[C@H]1F m_270004__16535300__24715004 [0,1,0,1,0,0|2,0,0]=4 1753 B8R1.13 CCN[C@H]1CC[C@H]1O m_270004__20353356__24715004 [0,1,0,1,0,0|1,0,0]=3 1754 B8R1.13 CCSC1CCC1=O m_7__22987770__20026952 [0,1,0,1,0,0|0,0,2]=4 1755 B8R1.13 CCSC1CCC1O m_7__22986908__5047 [0,1,0,1,0,0|0,0,0]=2 1756 B8R1.13 COCC1CCN1C m_2230__10478002__2463448 [0,1,0,1,0,0|1,0,0]=3 1757 B8R1.13 CSC[C@@H]1CC[C@H]1O m_62__875850__23862058 [0,1,0,1,0,0|0,0,0]=2 1758 B8R1.13 CSC[C@H]1CC[C@H]1C m_62__875850__21674492 [0,1,0,1,0,0|1,0,0]=3 1759 B8R1.17 CC[C@H]1C[C@@H]1CSC m_62__13155122__876088 [0,1,0,1,0,0|1,0,0]=3 1760 B8R1.22 CN1CCCCCC1 m_2230__678972__2463448 [0,1,0,1,0,0|2,0,0]=4 1761 B8R1.22 CN1CCCNCC1 m_269982__7368760__14064228 [0,1,0,1,0,0|2,0,0]=4 1762 B8R1.22 CN1CCCOCC1 m_2230__6727026__2463448 [0,1,0,1,0,0|2,0,0]=4 1763 B8R1.22 CN1CCCSCC1 m_2230__7912842__2463448 [0,1,0,1,0,0|2,0,0]=4 1764 B8R1.36 C=CCSCC1CS1 m_7__22987946__22787476 [0,1,0,1,0,0|1,0,1]=4 1765 B8R1.36 CCCCSC1CC1 m_7__22987858__770176 [0,1,0,1,0,0|2,0,0]=4 1766 B8R1.36 CCCNCC1CC1 m_207__109413__2989440 [0,1,0,1,0,0|2,0,0]=4 1767 B8R1.36 CCCSCC1CC1 m_62__875778__7141822 [0,1,0,1,0,0|2,0,0]=4 1768 B8R1.36 CCCSCC1CS1 m_7__22986886__22787476 [0,1,0,1,0,0|1,0,0]=3 1769 B8R1.36 CCNCCC1CC1 m_270004__8160850__13455800 [0,1,0,1,0,0|2,0,0]=4 1770 B8R1.36 CCSCCC1CC1 m_62__875846__9143162 [0,1,0,1,0,0|1,0,0]=3 1771 B8R1.36 CCSCSC1CC1 m_7__22987858__9456150 [0,1,0,1,0,0|2,0,0]=4 1772 B8R1.36 CNCCSC1CC1 m_7__22986920__16761930 [0,1,0,1,0,0|2,0,0]=4 1773 B8R1.36 COCCSC1CC1 m_7__6362310__16761930 [0,1,0,1,0,0|1,1,0]=4 1774 B8R1.36 COCSCC1CC1 m_7__10390288__6762 [0,1,0,1,0,0|1,1,0]=4 1775 B8R1.36 CSCCCC1CC1 m_62__875850__12641598 [0,1,0,1,0,0|1,0,0]=3 1776 B8R1.36 CSCCOC1CC1 m_62__875850__13445166 [0,1,0,1,0,0|1,0,0]=3 1777 B8R1.36 CSCCSC1CC1 m_7__22987858__7912552 [0,1,0,1,0,0|1,0,0]=3 1778 B8R1.36 CSCSCC1CC1 m_7__10390288__10542644 [0,1,0,1,0,0|1,0,0]=3 1779 B8R1.36 FCCCSC1CC1 m_7__22987858__16896928 [0,1,0,1,0,0|2,0,0]=4 1780 B8R1.36 FCCNCC1CC1 m_207__18491578__2989440 [0,1,0,1,0,0|2,0,0]=4 1781 B8R1.36 FCCSCC1CC1 m_7__10390288__22320828 [0,1,0,1,0,0|2,0,0]=4 1782 B8R1.36 NCCCSC1CC1 m_7__20871288__16761930 [0,1,0,1,0,0|2,0,0]=4 1783 B8R1.36 NCCSCC1CC1 m_7__20871276__7141812 [0,1,0,1,0,0|2,0,0]=4 1784 B8R1.36 NCCSCC1CS1 m_7__20871276__22787476 [0,1,0,1,0,0|1,0,0]=3 1785 B8R1.36 OCCCSC1CC1 m_7__22987858__6354 [0,1,0,1,0,0|1,0,0]=3 1786 B8R1.36 OCCNCC1CC1 m_207__121484__2989440 [0,1,0,1,0,0|1,0,0]=3 1787 B8R1.36 OCCSCC1CC1 m_7__10390288__102708 [0,1,0,1,0,0|1,0,0]=3 1788 B8R1.36 OCCSCC1CS1 m_7__128807__22787476 [0,1,0,1,0,0|0,0,0]=2 1789 B8R1.36 ON=CCCC1CC1 m_4__388124__10264360 [0,1,0,1,0,0|1,0,1]=4 1790 B8R1.1 CCC1CCN(C1)C m_2230__6954978__2463448 [0,1,0,1,0,0|2,0,0]=4 1791 B8R1.1 CCN1CC[C@@H](C1)O m_2230__3351214__22383854 [0,1,0,1,0,0|2,0,0]=4 1792 B8R1.1 CN1CCC(C1)CF m_2230__12898946__2463448 [0,1,0,1,0,0|2,0,0]=4 1793 B8R1.1 CN1CCC(C1)CN m_269982__7368796__14064228 [0,1,0,1,0,0|2,0,0]=4 1794 B8R1.1 CN1CC[C@H](C1)CO m_2230__17547532__2463448 [0,1,0,1,0,0|1,0,0]=3 1795 B8R1.1 CNC1CCC(C1)C m_269862__7193148__7200682 [0,1,0,1,0,0|2,0,0]=4 1796 B8R1.1 CSC1CCC(C1)C m_62__875850__10549956 [0,1,0,1,0,0|1,0,0]=3 1797 B8R1.1 CSC1CCC(C1)O m_7__17795750__5046 [0,1,0,1,0,0|0,0,0]=2 1798 B8R1.1 CSC1CCN(C1)C m_2230__10690848__2463448 [0,1,0,1,0,0|2,0,0]=4 1799 B8R1.3 CC1CCN(CC1)C m_2230__678746__2463448 [0,1,0,1,0,0|2,0,0]=4 1800 B8R1.3 CN1CCC(CC1)F m_2230__12896702__2463448 [0,1,0,1,0,0|2,0,0]=4 1801 B8R1.3 CN1CCC(CC1)N m_269982__7368762__14064228 [0,1,0,1,0,0|2,0,0]=4 1802 B8R1.3 CN1CCC(CC1)O m_2230__679016__2463448 [0,1,0,1,0,0|2,0,0]=4 1803 B8R1.26 CSCC1[C@@H]([C@H]1C)C m_62__875850__17665546 [0,1,0,1,0,0|1,0,0]=3 1804 B8R1.38 CCN(C)C1CSC1 m_2230__13465922__22383854 [0,1,0,1,0,0|2,0,0]=4 1805 B8R1.38 CNC(=O)C1CCO1 m_22__387492__7868010 [0,1,0,1,0,0|1,0,1]=4 1806 B8R1.38 CNC(C)C1CCC1 m_2230__22399912__2463448 [0,1,0,1,0,0|2,0,0]=4 1807 B8R1.38 CNC(C)C1CCO1 m_269862__7193148__22386440 [0,1,0,1,0,0|1,0,0]=3 1808 B8R1.38 CNC(C)C1CSC1 m_2230__22403082__2463448 [0,1,0,1,0,0|2,0,0]=4 1809 B8R1.38 O=C(NO)C1CSC1 m_527__388132__11678230 [0,1,0,1,0,0|1,0,1]=4 1810 B8R1.40 CC(CO)NC1CC1 m_269862__7192602__15157990 [0,1,0,1,0,0|2,0,0]=4 1811 B8R1.40 CC(CO)SC1CC1 m_7__6338928__16761930 [0,1,0,1,0,0|2,0,0]=4 1812 B8R1.40 CNC(C)CC1CC1 m_269862__7193148__7201362 [0,1,0,1,0,0|2,0,0]=4 1813 B8R1.40 C[C@H](CO)NC1CC1 m_2230__22399532__16761932 [0,1,0,1,0,0|2,0,0]=4 1814 B8R1.41 CC1(CC1)NCCO m_2230__22404332__6165700 [0,1,0,1,0,0|2,0,0]=4 1815 B8R1.41 CSCCC1(CC1)C m_62__13763162__876088 [0,1,0,1,0,0|1,0,0]=3 1816 B8R1.41 CSCCC1(CC1)O m_62__875850__9162882 [0,1,0,1,0,0|1,0,0]=3 1817 B8R1.46 CC1CC(N1C)CO m_2230__15757628__2463448 [0,1,0,1,0,0|1,0,0]=3 1818 B8R1.47 CCN1CC(C1)SC m_270004__14587630__24715004 [0,1,0,1,0,0|2,0,0]=4 1819 B8R1.47 CNC1CC(C1)SC m_269862__7193148__12420008 [0,1,0,1,0,0|2,0,0]=4 1820 B8R1.47 CSC1CC(C1)CF m_7__22987852__5046 [0,1,0,1,0,0|1,0,0]=3 1821 B8R1.50 CC1CCC(N1C)C m_2230__7045078__2463448 [0,1,0,1,0,0|2,0,0]=4 1822 B8R1.50 CC1CCN(C1C)C m_2230__6507962__2463448 [0,1,0,1,0,0|2,0,0]=4 1823 B8R1.50 C[C@H]1[C@@H](CCN1C)O m_2230__10747766__2463448 [0,1,0,1,0,0|2,0,0]=4 1824 B8R1.50 C[C@H]1[C@H](CCN1C)O m_2230__14788854__2463448 [0,1,0,1,0,0|2,0,0]=4 1825 B8R1.52 CNC1(CCCC1)C m_2230__22397380__2463448 [0,1,0,1,0,0|2,0,0]=4 1826 B8R1.52 CNC1(CCSC1)C m_2230__22397110__2463448 [0,1,0,1,0,0|2,0,0]=4 1827 B8R1.58 CCC1(CCN1C)C m_2230__22407902__2463448 [0,1,0,1,0,0|2,0,0]=4 1828 B8R1.4 CC1CCCN(C1)C m_2230__678730__2463448 [0,1,0,1,0,0|2,0,0]=4 1829 B8R1.4 CN1CCCC(C1)F m_2230__13466020__2463448 [0,1,0,1,0,0|2,0,0]=4 1830 B8R1.4 CN1CCCC(C1)O m_2230__678744__2463448 [0,1,0,1,0,0|1,0,0]=3 1831 B8R1.4 CN1CCC[C@@H](C1)N m_269982__13151830__14064228 [0,1,0,1,0,0|2,0,0]=4 1832 B8R1.4 C[C@H]1CN(CCO1)C m_2230__17693332__2463448 [0,1,0,1,0,0|2,0,0]=4 1833 B8R1.6 C=C1CC(C1)CSC m_62__15779538__876088 [0,1,0,1,0,0|1,0,1]=4 1834 B8R1.6 CCNC1CC(C1)O m_270004__20075652__24715004 [0,1,0,1,0,0|2,0,0]=4 1835 B8R1.6 CCSC1CC(C1)O m_7__22987770__10953812 [0,1,0,1,0,0|2,0,0]=4 1836 B8R1.6 CSCC1CC(C1)C m_62__13451110__876088 [0,1,0,1,0,0|1,0,0]=3 1837 B8R1.6 CSCC1CC(C1)F m_62__13773718__876088 [0,1,0,1,0,0|1,0,0]=3 1838 B8R1.6 CSCC1CC(C1)N m_34__20871486__7119628 [0,1,0,1,0,0|1,0,0]=3 1839 B8R1.6 OCCN1CC(C1)F m_2230__15542798__6165700 [0,1,0,1,0,0|2,0,0]=4 1840 B8R1.7 CC(=O)N1CCCO1 m_270062__12126364__15585492 [0,1,0,1,0,0|2,0,0]=4 1841 B8R1.7 CN(C)C1CCCC1 m_2230__774386__2463448 [0,1,0,1,0,0|2,0,0]=4 1842 B8R1.7 CN(C)C1CCSC1 m_2230__7834660__2463448 [0,1,0,1,0,0|2,0,0]=4 1843 B8R1.7 NC(=O)C1CCCO1 m_22__58357__60074 [0,1,0,1,0,0|2,0,0]=4 1844 B8R1.7 NC(=O)C1CCSC1 m_22__58357__7117294 [0,1,0,1,0,0|0,0,2]=4 1845 B8R1.19 CN1CCCC1(C)C m_2230__5789082__2463448 [0,1,0,1,0,0|2,0,0]=4 1846 B8R1.20 CC(=O)N[C@@H]1C[C@H]1O m_270062__23835526__15585492 [0,1,0,1,0,0|2,0,0]=4 1847 B8R1.20 CC(C)N[C@@H]1C[C@H]1O m_269862__23835522__7204804 [0,1,0,1,0,0|2,0,0]=4 1848 B8R1.20 CC1CC1CN(C)C m_2230__16620044__2463448 [0,1,0,1,0,0|2,0,0]=4 1849 B8R1.27 CSCC1CC1(Br)Br m_62__15746134__876088 [0,1,0,1,0,0|1,0,0]=3 1850 B8R1.27 CSCC1CC1(Cl)Cl m_62__875850__503044 [0,1,0,1,0,0|1,0,0]=3 1851 B8R1.27 CSCC1CC1(F)F m_62__14592630__876088 [0,1,0,1,0,0|1,0,0]=3 1852 B8R1.31 CN(C)[C@@H]1CC[C@H]1O m_2230__22408566__2463448 [0,1,0,1,0,0|1,0,0]=3 1853 B8R1.34 CC(C)SC1CSC1 m_7__20064714__5048 [0,1,0,1,0,0|2,0,0]=4 1854 B8R1.34 CC(O)CN1CCC1 m_63__8755088__10903854 [0,1,0,1,0,0|2,0,0]=4 1855 B8R1.34 CN(C)CC1CCC1 m_2230__4603152__2463448 [0,1,0,1,0,0|2,0,0]=4 1856 B8R1.34 CN(C)CC1CCO1 m_2230__20847698__2463448 [0,1,0,1,0,0|1,0,0]=3 1857 B8R1.34 NC(=O)CC1CSC1 m_22__58357__11560700 [0,1,0,1,0,0|0,0,2]=4 1858 B8R1.35 CC(O)CNC1CC1 m_273610__13857022__11516404 [0,1,0,1,0,0|2,0,0]=4 1859 B8R1.35 CC(O)CSC1CC1 m_7__10953796__16761930 [0,1,0,1,0,0|2,0,0]=4 1860 B8R1.35 CN(C)CCC1CC1 m_2230__7633868__2463448 [0,1,0,1,0,0|2,0,0]=4 1861 B8R1.43 NC(=O)[C@@H]1C[C@H]1CO m_22__58357__16466288 [0,1,0,1,0,0|2,0,0]=4 1862 B8R1.48 CNC1CCC1(C)C m_2230__10738242__2463448 [0,1,0,1,0,0|2,0,0]=4 1863 B8R1.18 CC1CC(CN1C)O m_2230__9209358__2463448 [0,1,0,1,0,0|2,0,0]=4 1864 B8R1.18 CC1CC(N(C1)C)C m_2230__5506422__2463448 [0,1,0,1,0,0|2,0,0]=4 1865 B8R1.18 C[C@@H]1CN(C[C@H]1O)C m_2230__15264148__2463448 [0,1,0,1,0,0|2,0,0]=4 1866 B8R1.18 C[C@@H]1C[C@@H](CN1C)F m_2230__22545816__2463448 [0,1,0,1,0,0|2,0,0]=4 1867 B8R1.18 C[C@H]1CN(C[C@@H]1O)C m_2230__13613406__2463448 [0,1,0,1,0,0|2,0,0]=4 1868 B8R1.37 CN(CCO)C1CC1 m_2230__804662__6165700 [0,1,0,1,0,0|2,0,0]=4 1869 B8R1.37 CSCC(C)C1CC1 m_62__15746286__876088 [0,1,0,1,0,0|1,0,0]=3 1870 B8R1.66 CCNC1(CSC1)C m_2230__22397754__22383854 [0,1,0,1,0,0|2,0,0]=4 1871 B8R1.66 CNCC1(CCC1)N m_269982__8695562__14064228 [0,1,0,1,0,0|2,0,0]=4 1872 B8R1.66 CSCC1(CCC1)O m_7__22987712__5046 [0,1,0,1,0,0|1,0,0]=3 1873 B8R1.66 CSCC1(COC1)C m_62__12111624__876088 [0,1,0,1,0,0|2,0,0]=4 1874 B8R2.18 CN1CC2CC2C1 m_2230__13022236__2463448 [0,0,0,2,0,0|2,0,0]=4 1875 B8R2.38 CN1CCC2C1C2 m_2230__7912980__2463448 [0,0,0,2,0,0|2,0,0]=4 1876 B8R2.4 CN1CC2CC1C2 m_2230__14057288__2463448 [0,0,0,2,0,0|2,0,0]=4