0 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.5 CC(=C(Cl)Cl)Cl Z1198148250 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.5 CC(=N)N(C)C Z1428159819 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.5 CC(=O)C(=O)O Z104495240 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.5 CC(=O)C(C)N Z1263529525 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 CC(Br)C(=O)O Z57127555 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.5 CC(C)C(=N)N Z381357616 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.5 CC(C)C(=O)N Z57046209 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.5 CC(C)C(=O)O Z104473380 [0,0,0,0,0,0|0,0,0]=0 9 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.5 CC(N)C(=O)N Z54749436 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.5 CC(N)C(=O)O Z57396987 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.5 CC(N)C(C)N Z2335631664 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.5 CC(O)C(=N)N Z2216711526 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.5 CC(O)C(=O)N Z57206008 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.5 CC(O)C(C)O Z104473532 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.5 CC(S)C(=O)O Z104477082 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.5 CN(C)C(=N)N Z1839480548 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.5 CN(C)C(=S)N Z56347524 [0,0,0,0,0,0|2,1,0]=3 21 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,0,0,0,0,0|1,0,0]=1 24 B5R0.5 NC(=O)C(F)F Z33546481 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.5 O=C(O)C(F)F Z104474070 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.1 C#CC(=O)O Z104493798 [1,0,0,0,0,0|0,0,2]=3 29 B4R0.1 C#CC(C)O Z1251193370 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 C=C(Br)CN Z600439032 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 C=C(Br)CO Z600440434 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 C=CC(=C)C Z104474660 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 C=CC(=O)O Z57127944 [1,0,0,0,0,0|0,0,2]=3 34 B4R0.1 C=CC(C)N Z1446855743 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(=O)C=O Z104495190 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 CC(=O)NN Z58981787 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 CC(=O)NO Z59181917 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 CC(C)NO Z1198161074 [1,0,0,0,0,0|1,0,0]=2 40 B4R0.1 CC(F)CN Z2941405027 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 CC(N)CF Z2096088772 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 CC(N)CN Z104474490 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|1,0,1]=3 45 B4R0.1 CCC(=N)N Z1741969146 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 CCC(=O)N Z33546482 [1,0,0,0,0,0|1,0,0]=2 47 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|0,0,0]=1 48 B4R0.1 CCC(=S)N Z241091446 [1,0,0,0,0,0|1,1,0]=3 49 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|1,0,1]=3 51 B4R0.1 CN(C)C#N Z1255394988 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.1 CN(C)N=O Z1255485177 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 CNC(=N)C Z2146515751 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.1 CNC(=O)C Z32016274 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 CNC(=O)N Z56932989 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.1 COC(=N)N Z1741976783 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.1 COC(=O)N Z104476722 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 CSC(=N)N Z1741980405 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 C[C@@H](N)CN Z3234812272 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 C[C@@H](N)CO Z346076140 [1,0,0,0,0,0|1,0,1]=3 61 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 C[C@H](N)CN Z1741977335 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|1,0,1]=3 65 B4R0.1 N=C(N)CCl Z204878288 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.1 N=C(N)CN Z3798800325 [1,0,0,0,0,0|3,0,0]=4 67 B4R0.1 N=C(N)CO Z1259341033 [1,0,0,0,0,0|3,0,0]=4 68 B4R0.1 NC(=O)CF Z104475768 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.1 NC(=O)CI Z1080376832 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.1 NC(=O)CO Z424788508 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.1 NC(=O)NO Z1203577934 [1,0,0,0,0,0|3,0,0]=4 72 B4R0.1 NCC(=O)N Z1262254285 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 NCC(=O)O Z955123660 [1,0,0,0,0,0|1,0,0]=2 74 B4R0.1 NNC(=O)N Z104473922 [1,0,0,0,0,0|3,0,0]=4 75 B4R0.1 O=C(O)CBr Z104473018 [1,0,0,0,0,0|1,0,0]=2 76 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|1,0,0]=2 77 B4R0.1 O=[N+]([O-])CBr Z1255485348 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.1 OCC(F)F Z397587054 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.3 C#CC(=O)N(C)C Z1509741471 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.3 C#CC(N)C(C)C Z1982493902 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.3 C#C[C@@H](N)C(C)C Z4351247948 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,1,0,0,0,0|1,0,1]=3 83 B6R0.3 CC(=C(F)CN)C Z1203639272 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,1,0,0,0,0|0,0,1]=2 85 B6R0.3 CC(C)C(=O)NN Z56926537 [0,1,0,0,0,0|1,0,0]=2 86 B6R0.3 CC(C)C(C)C#N Z415654752 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.3 CC(C)C(C)CN Z415654990 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 CC(C)C(N)C#N Z1266854874 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 CC(C)C(N)CN Z1266933925 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.3 CC(C)C(O)C#N Z802900598 [0,1,0,0,0,0|1,0,1]=3 91 B6R0.3 CC(C)C(O)CN Z1255523288 [0,1,0,0,0,0|1,0,1]=3 92 B6R0.3 CC(C)N(C)C=O Z1258520821 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.3 CC(C)[C@@H](N)C#N Z1695797928 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.3 CC(C)[C@H](N)C#N Z1708090079 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [0,1,0,0,0,0|1,0,1]=3 96 B6R0.3 CC(CN)C(=O)O Z431542704 [0,1,0,0,0,0|0,0,0]=1 97 B6R0.3 CC(CN)C(F)F Z3243520505 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.3 CC(CN)N(C)C Z367452450 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.3 CC(CO)C(=O)O Z431541400 [0,1,0,0,0,0|0,0,0]=1 100 B6R0.3 CC(N)C(C)CO Z1203581847 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.3 CC(O)C(N)CN Z1250080890 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 CCC(C)C(=N)N Z823287482 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.3 CCC(C)C(=O)N Z270978420 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.3 CCC(C)C(=O)O Z237374874 [0,1,0,0,0,0|0,0,0]=1 105 B6R0.3 CCC(C)C(C)N Z335455612 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.3 CCC(N)C(=O)O Z104495144 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.3 CCC(N)C(C)C Z823287438 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.3 CCC(O)C(=O)N Z965049008 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.3 CCC(O)C(=O)O Z246073650 [0,1,0,0,0,0|1,0,0]=2 110 B6R0.3 CCC(O)C(C)C Z445987082 [0,1,0,0,0,0|1,0,1]=3 111 B6R0.3 CCC(O)C(C)O Z1251352132 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 CCN(C)C(=N)N Z1718490393 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,1,0,0,0,0|1,0,0]=2 114 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,1,0,0,0,0|0,0,0]=1 115 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,1,0,0,0,0|1,0,0]=2 116 B6R0.3 CN(C)C(=N)CN Z220638406 [0,1,0,0,0,0|3,0,0]=4 117 B6R0.3 CN(C)C(=O)CN Z54751082 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.3 CN(C)C(=O)CO Z431952018 [0,1,0,0,0,0|1,0,0]=2 119 B6R0.3 CN(N=O)C(=O)N Z104475776 [0,1,0,0,0,0|3,0,0]=4 120 B6R0.3 CNC(=N)N(C)C Z3380814034 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.3 CNC(=O)C(C)Cl Z104346638 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.3 CNC(=O)C(C)N Z105197440 [0,1,0,0,0,0|2,0,0]=3 123 B6R0.3 CNC(=O)C(C)O Z431951884 [0,1,0,0,0,0|2,0,0]=3 124 B6R0.3 CNC(=O)C(F)F Z32016385 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [0,1,0,0,0,0|2,0,0]=3 126 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,1,0,0,0,0|0,0,0]=1 128 B6R0.3 CNC(C)C(C)C Z139701846 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.3 CNC(C)C(F)F Z4086726897 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,1,0,0,0,0|1,0,0]=2 131 B6R0.3 COC(=N)C(C)C Z2944341356 [0,1,0,0,0,0|1,0,0]=2 132 B6R0.3 COC(=O)C(=N)N Z1198220825 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.3 COC(=O)C(C)N Z56968898 [0,1,0,0,0,0|1,0,0]=2 134 B6R0.3 COC(C)C(=N)N Z1365534351 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.3 COC(C)C(=O)C Z447898138 [0,1,0,0,0,0|1,0,0]=2 136 B6R0.3 COC(C)C(=O)N Z223645218 [0,1,0,0,0,0|1,0,0]=2 137 B6R0.3 COC(C)C(=O)O Z316258898 [0,1,0,0,0,0|0,0,0]=1 138 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.3 COC(C)[C@H](C)N Z1795817829 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.3 CSC(C)C(=N)N Z5622504221 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.3 CSC(C)C(=O)O Z149191750 [0,1,0,0,0,0|0,0,0]=1 142 B6R0.3 CSC(C)C(C)O Z1273036711 [0,1,0,0,0,0|1,0,1]=3 143 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.3 NC(CO)C(=O)O Z57396986 [0,1,0,0,0,0|1,0,0]=2 145 B6R0.3 NC(CS)C(=O)O Z966690626 [0,1,0,0,0,0|1,0,0]=2 146 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,1,0,0,0,0|1,0,0]=2 147 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,1,0,0,0,0|1,0,0]=2 149 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,1,0,0,0,0|1,0,0]=2 151 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,1,0,0,0,0|1,0,0]=2 152 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,1,0,0,0,0|1,0,0]=2 153 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,1,0,0,0,0|1,0,1]=3 154 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,1,0,0,0,0|1,0,0]=2 155 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [0,1,0,0,0,0|1,0,0]=2 156 B6R0.7 CC(C)(C)C(=N)N Z56771178 [0,1,0,0,0,0|2,0,0]=3 157 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,1,0,0,0,0|1,0,0]=2 158 B6R0.7 CC(C)(C)C(=S)N Z278180216 [0,1,0,0,0,0|1,1,0]=3 159 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,1,0,0,0,0|0,0,0]=1 160 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,1,0,0,0,0|1,0,0]=2 161 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,1,0,0,0,0|0,0,0]=1 162 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [0,1,0,0,0,0|2,0,0]=3 163 B6R0.7 CC(C)(O)C(F)F Z1413814779 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.7 CC(C)C(C)(C)N Z1270446314 [0,1,0,0,0,0|2,0,1]=4 165 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [0,1,0,0,0,0|1,0,1]=3 166 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [0,1,0,0,0,0|1,0,0]=2 167 B6R0.7 CC(N)C(C)(C)F Z3487099771 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.7 CC(O)C(C)(C)N Z3688848535 [0,1,0,0,0,0|1,0,1]=3 169 B6R0.7 CC(O)S(=O)(=O)[O-] Z1198151272 [0,1,0,0,0,0|2,0,1]=4 170 B6R0.7 CN(C)S(=O)(=O)Cl Z270760636 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.7 CN(C)S(=O)(=O)N Z300114482 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.7 NC(=O)C(Cl)(Cl)Cl Z104473774 [0,1,0,0,0,0|3,0,0]=4 173 B6R0.7 O=C(O)C(Cl)(Cl)Cl Z104473288 [0,1,0,0,0,0|2,0,0]=3 174 B6R0.7 O=C(O)C(F)(F)Br Z328621122 [0,1,0,0,0,0|2,0,0]=3 175 B6R0.7 O=C(O)C(F)(F)Cl Z1270446583 [0,1,0,0,0,0|2,0,0]=3 176 B6R0.7 O=C(O)C(F)(F)F Z1834265899 [0,1,0,0,0,0|2,0,0]=3 177 B6R0.7 O=C([O-])C(F)(Cl)Cl Z56772166 [0,1,0,0,0,0|2,0,1]=4 178 B6R1.4 CC1CCC1N Z2082999653 [0,0,0,1,0,0|2,0,1]=4 179 B6R1.9 CC1(CC1N)C Z1259335876 [0,0,0,1,0,0|2,0,1]=4 180 B6R1.9 CC1OC1(C)C Z1255419606 [0,0,0,1,0,0|1,0,1]=3 181 B6R1.11 C=C(Cl)C1CO1 Z2574917304 [0,0,0,1,0,0|3,0,0]=4 182 B6R1.11 CC(C)C1CO1 Z1020679856 [0,0,0,1,0,0|1,0,1]=3 183 B6R1.11 CC(N)C1CC1 Z89283349 [0,0,0,1,0,0|2,0,1]=4 184 B6R1.11 N=C(N)C1CC1 Z935140732 [0,0,0,1,0,0|2,0,0]=3 185 B6R1.11 O=S([O-])C1CC1 Z1741965693 [0,0,0,1,0,0|1,0,1]=3 186 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,0,0,0,1|1,0,1]=3 187 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,0,0,0,1|0,0,2]=3 188 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,0,0,0,0,1|1,0,1]=3 189 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,0,0,0,0,1|0,0,1]=2 190 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,0,0,0,0,1|2,0,1]=4 191 B6R0.2 CC(=O)CC(C)N Z57329385 [0,0,0,0,0,1|2,0,0]=3 192 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,0,0,0,0,1|2,0,1]=4 193 B6R0.2 CC(C)CB(O)O Z1098324138 [0,0,0,0,0,1|1,0,1]=3 194 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,0,0,0,0,1|2,0,0]=3 195 B6R0.2 CC(C)CC(=O)N Z33546511 [0,0,0,0,0,1|1,0,0]=2 196 B6R0.2 CC(C)CC(=O)O Z104474910 [0,0,0,0,0,1|0,0,0]=1 197 B6R0.2 CC(C)NC(=N)N Z1650168329 [0,0,0,0,0,1|2,0,0]=3 198 B6R0.2 CC(C)NC(=O)N Z56887677 [0,0,0,0,0,1|1,0,0]=2 199 B6R0.2 CC(C)NC(=S)N Z56979374 [0,0,0,0,0,1|1,1,0]=3 200 B6R0.2 CC(N)CC(=O)N Z594220690 [0,0,0,0,0,1|2,0,0]=3 201 B6R0.2 CC(N)CC(=O)O Z147647144 [0,0,0,0,0,1|1,0,0]=2 202 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,0,0,0,0,1|3,0,0]=4 203 B6R0.2 CN(C)CC(=O)N Z54750057 [0,0,0,0,0,1|2,0,0]=3 204 B6R0.2 CN(C)CC(=O)O Z235580496 [0,0,0,0,0,1|1,0,0]=2 205 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,0,0,0,0,1|3,0,0]=4 206 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,0,0,0,0,1|1,0,0]=2 207 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,0,0,0,0,1|2,0,1]=4 208 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,0,0,0,0,1|2,0,1]=4 209 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [0,0,0,0,0,1|2,0,1]=4 210 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,0,0,0,0,1|2,0,1]=4 211 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|2,0,0]=4 212 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|1,0,1]=4 213 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|1,0,1]=4 214 B3R0.2 CC(=O)N Z33546370 [2,0,0,0,0,0|1,0,0]=3 215 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|0,0,0]=2 216 B3R0.2 CC(=O)[S-] Z1142554016 [2,0,0,0,0,0|0,1,0]=3 217 B3R0.2 NC(=O)N Z104473900 [2,0,0,0,0,0|2,0,0]=4 218 B5R0.1 C#CCC(=O)O Z295890060 [1,1,0,0,0,0|0,0,1]=3 219 B5R0.1 C/C=C/C(=O)O Z104476026 [1,1,0,0,0,0|0,0,1]=3 220 B5R0.1 C=C(C)CCN Z1203582475 [1,1,0,0,0,0|2,0,0]=4 221 B5R0.1 C=CCC(C)N Z1269638561 [1,1,0,0,0,0|2,0,0]=4 222 B5R0.1 CC#CC(=O)N Z1203579284 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.1 CC(=CC#N)C Z851014248 [1,1,0,0,0,0|1,0,1]=4 224 B5R0.1 CC(=CCN)C Z1827897919 [1,1,0,0,0,0|1,0,1]=4 225 B5R0.1 CC(=O)CCO Z906206900 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.1 CC(C)CC#N Z104473272 [1,1,0,0,0,0|1,0,1]=4 227 B5R0.1 CC(C)CCO Z104473558 [1,1,0,0,0,0|0,0,1]=3 228 B5R0.1 CC(C)N=C=S Z56964589 [1,1,0,0,0,0|0,1,1]=4 229 B5R0.1 CC(C)NC=O Z1201617634 [1,1,0,0,0,0|0,0,0]=2 230 B5R0.1 CC(N)CCO Z385458430 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.1 CC(O)CCN Z802904114 [1,1,0,0,0,0|1,0,1]=4 232 B5R0.1 CC(O)CCO Z104473530 [1,1,0,0,0,0|1,0,1]=4 233 B5R0.1 CCCC(=N)N Z1198394172 [1,1,0,0,0,0|2,0,0]=4 234 B5R0.1 CCCC(=O)N Z33546461 [1,1,0,0,0,0|1,0,0]=3 235 B5R0.1 CCCC(=O)O Z104495380 [1,1,0,0,0,0|0,0,0]=2 236 B5R0.1 CCNC(=N)N Z2574931373 [1,1,0,0,0,0|2,0,0]=4 237 B5R0.1 CCOC(=N)N Z1741973543 [1,1,0,0,0,0|2,0,0]=4 238 B5R0.1 CCOC(=O)N Z33546369 [1,1,0,0,0,0|1,0,0]=3 239 B5R0.1 CCSC(=N)N Z1708092306 [1,1,0,0,0,0|2,0,0]=4 240 B5R0.1 CN(C)CCO Z104473552 [1,1,0,0,0,0|1,0,1]=4 241 B5R0.1 CNCC(=O)N Z415678308 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.1 CNCC(=O)O Z104480276 [1,1,0,0,0,0|0,0,0]=2 243 B5R0.1 CNCC(C)C Z951367674 [1,1,0,0,0,0|1,0,1]=4 244 B5R0.1 CNCC(C)O Z138692700 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.1 COCC(=N)N Z1258620054 [1,1,0,0,0,0|2,0,0]=4 246 B5R0.1 COCC(=O)N Z33546778 [1,1,0,0,0,0|1,0,0]=3 247 B5R0.1 COCC(=O)O Z104477404 [1,1,0,0,0,0|0,0,0]=2 248 B5R0.1 COCC(C)O Z825742124 [1,1,0,0,0,0|1,0,1]=4 249 B5R0.1 COC[C@@H](C)N Z1270482298 [1,1,0,0,0,0|1,0,1]=4 250 B5R0.1 COC[C@H](C)N Z1270502316 [1,1,0,0,0,0|1,0,1]=4 251 B5R0.1 CS(=O)CCN Z802568576 [1,1,0,0,0,0|2,0,0]=4 252 B5R0.1 CSCC(=N)N Z1459934800 [1,1,0,0,0,0|2,0,0]=4 253 B5R0.1 CSCC(=O)N Z33545668 [1,1,0,0,0,0|1,0,0]=3 254 B5R0.1 CSCC(C)O Z732208306 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.1 CSCS(=O)C Z1255438413 [1,1,0,0,0,0|2,0,0]=4 256 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,1,0,0,0,0|1,0,1]=4 257 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,1,0,0,0,0|1,0,1]=4 258 B5R0.1 N#CCC(=O)N Z56896153 [1,1,0,0,0,0|1,0,1]=4 259 B5R0.1 N#CCC(=O)O Z104476112 [1,1,0,0,0,0|0,0,1]=3 260 B5R0.1 N=C(N)CCO Z1198394167 [1,1,0,0,0,0|2,0,0]=4 261 B5R0.1 NC(=O)CCO Z431951940 [1,1,0,0,0,0|1,0,0]=3 262 B5R0.1 NCCC(=O)N Z415728050 [1,1,0,0,0,0|1,0,0]=3 263 B5R0.1 NCCC(=O)O Z57127544 [1,1,0,0,0,0|0,0,0]=2 264 B5R0.1 NOCC(=O)O Z90662171 [1,1,0,0,0,0|1,0,0]=3 265 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,1,0,0,0,0|0,0,2]=4 266 B5R0.1 O=C(O)CCCl Z203045320 [1,1,0,0,0,0|0,0,0]=2 267 B5R0.1 O=C(O)CCS Z104474322 [1,1,0,0,0,0|0,0,0]=2 268 B5R0.1 O=C(O)CNO Z1205493750 [1,1,0,0,0,0|1,0,0]=3 269 B5R0.3 C=C(CC)CN Z2238934536 [1,1,0,0,0,0|2,0,0]=4 270 B5R0.3 C=CC(N)CO Z2146514374 [1,1,0,0,0,0|2,0,0]=4 271 B5R0.3 CC(C#N)CO Z406338220 [1,1,0,0,0,0|0,0,2]=4 272 B5R0.3 CC(CN)CN Z951173758 [1,1,0,0,0,0|1,0,1]=4 273 B5R0.3 CC(CN)CO Z406342068 [1,1,0,0,0,0|0,0,1]=3 274 B5R0.3 CC(CO)CS Z1262475362 [1,1,0,0,0,0|0,0,1]=3 275 B5R0.3 CC/C(=N/O)/N Z241067842 [1,1,0,0,0,0|1,0,0]=3 276 B5R0.3 CCC(=O)CC Z104476878 [1,1,0,0,0,0|1,0,0]=3 277 B5R0.3 CCC(=O)CN Z1203579016 [1,1,0,0,0,0|1,0,0]=3 278 B5R0.3 CCC(=O)NN Z56886418 [1,1,0,0,0,0|1,0,0]=3 279 B5R0.3 CCC(C)CN Z2350903977 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.3 CCC(C)NC Z594038230 [1,1,0,0,0,0|1,0,1]=4 281 B5R0.3 CCC(N)CO Z104474862 [1,1,0,0,0,0|1,0,1]=4 282 B5R0.3 CCC(O)C#N Z419078094 [1,1,0,0,0,0|1,0,1]=4 283 B5R0.3 CCC(O)CN Z419084746 [1,1,0,0,0,0|1,0,1]=4 284 B5R0.3 CCC(O)CO Z600450538 [1,1,0,0,0,0|0,0,2]=4 285 B5R0.3 CCN(C)C=O Z1258520870 [1,1,0,0,0,0|1,0,0]=3 286 B5R0.3 CCN(C)N=O Z1198147516 [1,1,0,0,0,0|2,0,0]=4 287 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,1,0,0,0,0|1,0,1]=4 288 B5R0.3 CC[C@H](N)CO Z1203162358 [1,1,0,0,0,0|1,0,1]=4 289 B5R0.3 CNC(=O)CCl Z56891219 [1,1,0,0,0,0|2,0,0]=4 290 B5R0.3 CNC(=O)CN Z57981102 [1,1,0,0,0,0|2,0,0]=4 291 B5R0.3 CNC(=O)CO Z431952700 [1,1,0,0,0,0|1,0,0]=3 292 B5R0.3 CNC(=O)CS Z1203730878 [1,1,0,0,0,0|1,1,0]=4 293 B5R0.3 CNC(C)CN Z941154208 [1,1,0,0,0,0|1,0,1]=4 294 B5R0.3 COC(=O)CN Z57042020 [1,1,0,0,0,0|1,0,0]=3 295 B5R0.3 COC(C)CN Z1795817756 [1,1,0,0,0,0|1,0,1]=4 296 B5R0.3 COC(C)CO Z1198150719 [1,1,0,0,0,0|0,0,1]=3 297 B5R0.3 CSC(C)CN Z844632970 [1,1,0,0,0,0|1,0,1]=4 298 B5R0.3 CSC(C)CO Z1273053291 [1,1,0,0,0,0|0,0,1]=3 299 B5R0.3 N=C(CN)NO Z223781376 [1,1,0,0,0,0|2,0,0]=4 300 B5R0.3 NC(CO)CO Z1203577940 [1,1,0,0,0,0|1,0,1]=4 301 B5R0.3 NCC(=O)CN Z1198147360 [1,1,0,0,0,0|2,0,0]=4 302 B5R0.3 O=C(CO)CO Z1255442144 [1,1,0,0,0,0|1,0,0]=3 303 B5R0.3 OCC(O)CO Z104473548 [1,1,0,0,0,0|1,0,1]=4 304 B5R0.3 OCC(O)CS Z1255382958 [1,1,0,0,0,0|1,0,1]=4 305 B5R0.4 C#CC(C)(C)O Z1245735173 [1,1,0,0,0,0|1,0,1]=4 306 B5R0.4 C=CC(C)(C)N Z2940715337 [1,1,0,0,0,0|1,0,0]=3 307 B5R0.4 CC(C)(C)C#N Z278179882 [1,1,0,0,0,0|1,0,1]=4 308 B5R0.4 CC(C)(C)CN Z291234094 [1,1,0,0,0,0|1,0,1]=4 309 B5R0.4 CC(C)(C)CO Z397587176 [1,1,0,0,0,0|0,0,1]=3 310 B5R0.4 CC(C)(F)C#N Z1198369138 [1,1,0,0,0,0|1,0,1]=4 311 B5R0.4 CC(C)(N)C#N Z57176535 [1,1,0,0,0,0|1,0,1]=4 312 B5R0.4 CC(C)(N)CN Z1266854946 [1,1,0,0,0,0|1,0,1]=4 313 B5R0.4 CC(C)(O)C#N Z104473082 [1,1,0,0,0,0|1,0,1]=4 314 B5R0.4 CC(C)(O)CO Z600454414 [1,1,0,0,0,0|0,0,1]=3 315 B5R0.4 CCC(C)(C)N Z104480062 [1,1,0,0,0,0|1,0,1]=4 316 B5R0.4 CCC(C)(C)O Z104473496 [1,1,0,0,0,0|1,0,1]=4 317 B5R0.4 CCS(=O)(=O)N Z54886646 [1,1,0,0,0,0|1,0,1]=4 318 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,1,0,0,0,1|1,0,1]=4 319 B7R0.2 CC(C#N)NC(=O)N Z756364694 [0,1,0,0,0,1|1,0,1]=4 320 B7R0.2 CC(C)CC(C)CO Z1198147790 [0,1,0,0,0,1|1,0,1]=4 321 B7R0.2 CC(C)CC(N)CO Z734151210 [0,1,0,0,0,1|1,0,1]=4 322 B7R0.2 CC(C)CC(O)CN Z1259162114 [0,1,0,0,0,1|1,0,1]=4 323 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,1,0,0,0,1|1,0,0]=3 324 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,1,0,0,0,1|0,0,0]=2 325 B7R0.2 CC(C)NC(=S)NN Z56851229 [0,1,0,0,0,1|1,1,0]=4 326 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,1,0,0,0,1|1,0,0]=3 327 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,1,0,0,0,1|0,0,0]=2 328 B7R0.2 CC(O)CC(C)CN Z1245536559 [0,1,0,0,0,1|1,0,1]=4 329 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,1,0,0,0,1|0,0,1]=3 330 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,1,0,0,0,1|0,0,0]=2 331 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,1,0,0,0,1|1,0,0]=3 332 B7R0.2 CCC(C)NC(=S)N Z56907642 [0,1,0,0,0,1|1,1,0]=4 333 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,1,0,0,0,1|1,0,0]=3 334 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,1,0,0,0,1|1,0,0]=3 335 B7R0.2 CN(C)C/C(=N/O)/N Z432067012 [0,1,0,0,0,1|2,0,0]=4 336 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,1,0,0,0,1|2,0,0]=4 337 B7R0.2 CNC(=N)CC(C)C Z4121959005 [0,1,0,0,0,1|2,0,0]=4 338 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,1,0,0,0,1|1,0,1]=4 339 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,1,0,0,0,1|2,0,0]=4 340 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,1,0,0,0,1|1,0,0]=3 341 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,1,0,0,0,1|1,0,1]=4 342 B7R0.2 COC(=O)CC(C)N Z169856728 [0,1,0,0,0,1|1,0,0]=3 343 B7R0.2 COC(C)CC(=O)O Z431536426 [0,1,0,0,0,1|0,0,0]=2 344 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,1,0,0,0,1|1,0,0]=3 345 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,1,0,0,0,1|1,0,0]=3 346 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,1,0,0,0,1|1,0,0]=3 347 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,1,0,0,0,1|1,0,0]=3 348 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,1,0,0,0,1|0,0,0]=2 349 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,1,0,0,0,1|1,0,0]=3 350 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,1,0,0,0,1|0,0,0]=2 351 B7R0.9 CC(C)(C)NC(=S)N Z56948375 [0,1,0,0,0,1|1,1,0]=4 352 B7R0.9 CC(C)(C)SC(=N)N Z3243719680 [0,1,0,0,0,1|2,0,0]=4 353 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [0,1,0,0,0,1|1,0,0]=3 354 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,1,0,0,0,1|0,0,0]=2 355 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [0,1,0,0,0,1|2,0,0]=4 356 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,1,0,0,0,1|0,0,0]=2 357 B7R0.9 CC(C)CS(=O)(=O)N Z734461478 [0,1,0,0,0,1|1,0,1]=4 358 B7R0.9 CC(C)NS(=O)(=O)C Z53825073 [0,1,0,0,0,1|1,0,1]=4 359 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [0,1,0,0,0,1|1,0,0]=3 360 B7R0.9 CC(O)CC(C)(C)O Z1255485267 [0,1,0,0,0,1|1,0,1]=4 361 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,1,0,0,0,1|2,0,0]=4 362 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,1,0,0,0,1|1,0,1]=4 363 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,1,0,0,0,1|1,0,1]=4 364 B7R0.16 C=C(C)C(=O)C(C)C Z1313486232 [0,1,0,0,0,1|2,0,0]=4 365 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,0,1|0,0,1]=3 366 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,1,0,0,0,1|2,0,0]=4 367 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,1|0,0,0]=2 368 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,1|0,0,0]=2 369 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,1|0,0,0]=2 370 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,0,0,0,1|1,0,0]=3 371 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,1|0,0,0]=2 372 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,1|0,0,0]=2 373 B7R0.16 CC(C)N(C)C(=N)N Z2432659176 [0,1,0,0,0,1|2,0,0]=4 374 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,0,0,0,1|1,0,0]=3 375 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,1|0,0,0]=2 376 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,1|0,0,0]=2 377 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,1|1,0,0]=3 378 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,1|1,0,0]=3 379 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,0,0,0,1|1,0,0]=3 380 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,1|1,0,0]=3 381 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,1|1,0,0]=3 382 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,0,0,0,1|1,0,0]=3 383 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,1|1,0,0]=3 384 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [0,2,0,0,0,0|2,0,0]=4 385 B7R0.5 C#CCC(O)C(C)C Z969111562 [0,2,0,0,0,0|1,0,1]=4 386 B7R0.5 C/C(=C\CO)/C(C)C Z1896171007 [0,2,0,0,0,0|1,0,0]=3 387 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,2,0,0,0,0|1,0,0]=3 388 B7R0.5 C=C(C)C(=O)OCC Z852747724 [0,2,0,0,0,0|0,0,2]=4 389 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,2,0,0,0,0|1,0,0]=3 390 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,2,0,0,0,0|1,0,0]=3 391 B7R0.5 CC(C)C(=O)CC#N Z319444036 [0,2,0,0,0,0|1,0,0]=3 392 B7R0.5 CC(C)C(N)CCO Z979743766 [0,2,0,0,0,0|1,0,1]=4 393 B7R0.5 CC(C)C(O)CC#N Z1255499091 [0,2,0,0,0,0|1,0,1]=4 394 B7R0.5 CC(C)C(O)CCN Z1203588096 [0,2,0,0,0,0|1,0,1]=4 395 B7R0.5 CC(C)C(O)CCO Z1532770488 [0,2,0,0,0,0|0,0,2]=4 396 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,2,0,0,0,0|0,0,0]=2 397 B7R0.5 CC(CCN)S(=O)C Z1431460424 [0,2,0,0,0,0|2,0,0]=4 398 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,2,0,0,0,0|0,0,1]=3 399 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,2,0,0,0,0|0,0,0]=2 400 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,2,0,0,0,0|1,0,0]=3 401 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,2,0,0,0,0|1,0,0]=3 402 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,2,0,0,0,0|1,0,0]=3 403 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [0,2,0,0,0,0|2,0,0]=4 404 B7R0.5 CCNC(=O)C(C)N Z89265773 [0,2,0,0,0,0|2,0,0]=4 405 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,2,0,0,0,0|0,0,0]=2 406 B7R0.5 CCOC(=N)C(C)C Z1623864182 [0,2,0,0,0,0|1,0,0]=3 407 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,2,0,0,0,0|1,0,1]=4 408 B7R0.5 CCOC(=O)C(F)F Z361436550 [0,2,0,0,0,0|2,0,0]=4 409 B7R0.5 CCOC(C)C(=N)N Z1268703736 [0,2,0,0,0,0|2,0,0]=4 410 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,2,0,0,0,0|0,0,0]=2 411 B7R0.5 CCSC(C)C(=N)N Z1483957022 [0,2,0,0,0,0|2,0,0]=4 412 B7R0.5 CN(C)C(=O)CCN Z802671460 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.5 CN(C)C(=O)CCO Z635883438 [0,2,0,0,0,0|1,0,0]=3 414 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,2,0,0,0,0|0,0,0]=2 415 B7R0.5 COCC(=O)C(C)C Z825742022 [0,2,0,0,0,0|0,0,0]=2 416 B7R0.5 COCC(C)C(=O)O Z431541094 [0,2,0,0,0,0|0,0,0]=2 417 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,2,0,0,0,0|1,0,0]=3 418 B7R0.5 COCC(N)C(C)C Z825742262 [0,2,0,0,0,0|1,0,1]=4 419 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,2,0,0,0,0|0,0,0]=2 420 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,2,0,0,0,0|1,0,0]=3 421 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,2,0,0,0,0|1,0,0]=3 422 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,2,0,0,0,0|1,0,0]=3 423 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,2,0,0,0,0|1,0,0]=3 424 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,2,0,0,0,0|1,0,0]=3 425 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,2,0,0,0,0|1,0,0]=3 426 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,2,0,0,0,0|1,0,0]=3 427 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,2,0,0,0,0|1,0,0]=3 428 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [0,2,0,0,0,0|0,0,2]=4 429 B7R0.10 CCC(=O)C(C)C#N Z385381340 [0,2,0,0,0,0|1,0,1]=4 430 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,2,0,0,0,0|1,0,0]=3 431 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,2,0,0,0,0|1,0,0]=3 432 B7R0.10 CCC(C)C(N)CO Z1255523308 [0,2,0,0,0,0|1,0,1]=4 433 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,2,0,0,0,0|1,0,1]=4 434 B7R0.10 CCC(C)C(O)CN Z802901690 [0,2,0,0,0,0|1,0,1]=4 435 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,2,0,0,0,0|2,0,0]=4 436 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,2,0,0,0,0|2,0,0]=4 437 B7R0.10 CCN(C)C(=O)NC Z1042069854 [0,2,0,0,0,0|2,0,0]=4 438 B7R0.10 CNC(=N)C(C)OC Z2759956061 [0,2,0,0,0,0|2,0,0]=4 439 B7R0.10 CNC(=O)C(C)CN Z2079695013 [0,2,0,0,0,0|1,0,0]=3 440 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,2,0,0,0,0|2,0,0]=4 441 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,2,0,0,0,0|2,0,0]=4 442 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,2,0,0,0,0|0,0,0]=2 443 B7R0.10 COC(=O)C(C)SC Z821313006 [0,2,0,0,0,0|0,0,0]=2 444 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,2,0,0,0,0|1,0,0]=3 445 B7R0.10 COC(=O)C(N)CO Z104479480 [0,2,0,0,0,0|1,0,0]=3 446 B7R0.10 COC(=O)C(N)CS Z56917374 [0,2,0,0,0,0|1,0,0]=3 447 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,2,0,0,0,0|1,0,0]=3 448 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,2,0,0,0,0|1,0,0]=3 449 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,2,0,0,0,0|1,0,0]=3 450 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [0,2,0,0,0,0|0,0,1]=3 451 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [0,2,0,0,0,0|1,0,0]=3 452 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,2,0,0,0,0|0,0,0]=2 453 B7R0.13 CC(C)(C#N)C(=O)O Z426041322 [0,2,0,0,0,0|0,0,0]=2 454 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,2,0,0,0,0|0,0,0]=2 455 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,2,0,0,0,0|1,0,0]=3 456 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,2,0,0,0,0|0,0,0]=2 457 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,2,0,0,0,0|0,0,0]=2 458 B7R0.13 CC(C)C(C)(N)CO Z2160887261 [0,2,0,0,0,0|1,0,1]=4 459 B7R0.13 CC(C)C(C)(O)CN Z419085036 [0,2,0,0,0,0|1,0,1]=4 460 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,2,0,0,0,0|0,0,0]=2 461 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,2,0,0,0,0|0,0,0]=2 462 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,2,0,0,0,0|0,0,0]=2 463 B7R0.13 CC(O)C(C)(O)CO Z1896353165 [0,2,0,0,0,0|1,0,1]=4 464 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,2,0,0,0,0|0,0,0]=2 465 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,2,0,0,0,0|1,0,0]=3 466 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,2,0,0,0,0|0,0,0]=2 467 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,2,0,0,0,0|1,0,0]=3 468 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,2,0,0,0,0|0,0,0]=2 469 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,2,0,0,0,0|0,0,0]=2 470 B7R0.13 CNC(C)(C)C(=O)N Z2230911127 [0,2,0,0,0,0|1,0,0]=3 471 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,2,0,0,0,0|0,0,0]=2 472 B7R0.13 CNS(=O)(=O)C(C)C Z599618878 [0,2,0,0,0,0|1,0,1]=4 473 B7R0.13 COC(C)(C)C(=O)C Z1216835214 [0,2,0,0,0,0|1,0,0]=3 474 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,2,0,0,0,0|0,0,0]=2 475 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,2,0,0,0,0|0,0,0]=2 476 B7R0.13 NCC(F)(F)C(=O)N Z3006034789 [0,2,0,0,0,0|2,0,0]=4 477 B7R0.14 C=CC(=O)C(C)(C)C Z940201244 [0,2,0,0,0,0|1,0,0]=3 478 B7R0.14 C=CC(O)C(C)(C)C Z1262397707 [0,2,0,0,0,0|1,0,1]=4 479 B7R0.14 CC(C)(C)/C(=N/O)/N Z278180212 [0,2,0,0,0,0|1,0,0]=3 480 B7R0.14 CC(C)(C)C(=O)CN Z56800493 [0,2,0,0,0,0|1,0,0]=3 481 B7R0.14 CC(C)(C)C(=O)NO Z59181923 [0,2,0,0,0,0|0,0,0]=2 482 B7R0.14 CC(C)(C)C(N)CO Z2004547930 [0,2,0,0,0,0|1,0,1]=4 483 B7R0.14 CC(C)(C)C(O)CN Z803056426 [0,2,0,0,0,0|1,0,1]=4 484 B7R0.14 CC(CN)S(=O)(=O)C Z2588063744 [0,2,0,0,0,0|1,0,1]=4 485 B7R0.14 CN(N=O)C(C)(C)C Z1725963468 [0,2,0,0,0,0|2,0,0]=4 486 B7R0.14 CNC(=O)C(C)(C)N Z1449756243 [0,2,0,0,0,0|1,0,0]=3 487 B7R0.14 COC(=O)C(C)(C)Cl Z1551954570 [0,2,0,0,0,0|0,0,0]=2 488 B7R0.14 COC(=O)C(C)(C)N Z339270984 [0,2,0,0,0,0|0,0,0]=2 489 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,2,0,0,0,0|0,0,1]=3 490 B7R0.15 CCC(CC)C(=N)N Z3221365874 [0,2,0,0,0,0|2,0,0]=4 491 B7R0.15 CCC(CC)C(=O)N Z365255920 [0,2,0,0,0,0|1,0,0]=3 492 B7R0.15 CCC(CC)C(=S)N Z336081440 [0,2,0,0,0,0|1,1,0]=4 493 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,2,0,0,0,0|0,0,1]=3 494 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,2,0,0,0,0|0,0,0]=2 495 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,2,0,0,0,0|0,0,0]=2 496 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,2,0,0,0,0|0,0,0]=2 497 B7R0.15 CCN(N=O)C(C)C Z2375613691 [0,2,0,0,0,0|2,0,0]=4 498 B7R0.15 CCN(OC)C(=O)C Z1689168852 [0,2,0,0,0,0|2,0,0]=4 499 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,2,0,0,0,0|0,0,0]=2 500 B7R0.15 COC(C#N)C(C)C Z1270206972 [0,2,0,0,0,0|1,0,1]=4 501 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,2,0,0,0,0|0,0,0]=2 502 B7R0.15 COC(CN)C(C)C Z2310718859 [0,2,0,0,0,0|1,0,1]=4 503 B7R0.15 COC(CO)C(C)C Z1898597061 [0,2,0,0,0,0|0,0,2]=4 504 B7R0.15 COC(OC)C(=O)N Z56754520 [0,2,0,0,0,0|1,0,0]=3 505 B7R0.15 COC(OC)C(C)O Z1167044501 [0,2,0,0,0,0|1,0,1]=4 506 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,2,0,0,0,0|0,0,0]=2 507 B7R0.17 CC(C)(C)C(C)(C)O Z56762576 [0,2,0,0,0,0|1,0,1]=4 508 B7R0.17 CC(C)(C)S(=O)(=O)C Z1726051877 [0,2,0,0,0,0|1,0,1]=4 509 B7R0.17 CC(C)(C)S(=O)(=O)N Z991943148 [0,2,0,0,0,0|1,0,1]=4 510 B7R0.17 CC(C)(N)C(C)(C)O Z2738358101 [0,2,0,0,0,0|1,0,1]=4 511 B7R0.17 CC(C)(N)P(=O)(O)O Z57033887 [0,2,0,0,0,0|1,0,0]=3 512 B7R0.17 CC(C)(O)C(C)(C)O Z382716052 [0,2,0,0,0,0|1,0,1]=4 513 B5R1.2 NC1COC1 Z317054188 [1,0,0,1,0,0|1,0,1]=4 514 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|0,0,0]=2 515 B5R1.2 OC1COC1 Z1123686553 [1,0,0,1,0,0|1,0,1]=4 516 B5R1.3 CNC1CC1 Z138412880 [1,0,0,1,0,0|2,0,0]=4 517 B5R1.3 N#CC1CC1 Z247612572 [1,0,0,1,0,0|1,0,1]=4 518 B5R1.3 OCC1CC1 Z104479000 [1,0,0,1,0,0|0,0,1]=3 519 B5R1.3 OCC1CO1 Z104476180 [1,0,0,1,0,0|1,0,1]=4 520 B5R1.3 OC[C@@H]1CO1 Z1222330631 [1,0,0,1,0,0|1,0,1]=4 521 B5R1.3 OC[C@H]1CO1 Z1222330633 [1,0,0,1,0,0|1,0,1]=4 522 B5R1.4 CC1CC1N Z406520774 [1,0,0,1,0,0|1,0,1]=4 523 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [1,0,0,1,0,0|1,0,1]=4 524 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,0,0,1,0,1|2,0,0]=4 525 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,0,0,1,0,1|2,0,0]=4 526 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,0,0,1,0,1|1,0,0]=3 527 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,0,0,1,0,1|1,0,0]=3 528 B7R1.2 CC1CCC(C1)O Z1233224917 [0,0,0,1,0,1|1,0,1]=4 529 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,0,0,1,0,1|2,0,0]=4 530 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,0,0,1,0,1|2,0,0]=4 531 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,0,0,1,0,1|2,0,0]=4 532 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,0,0,1,0,1|1,0,0]=3 533 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,0,0,1,0,1|1,0,0]=3 534 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,0,0,1,0,1|1,0,0]=3 535 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,0,0,1,0,1|2,0,0]=4 536 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,0,0,1,0,1|2,0,0]=4 537 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,0,0,1,0,1|2,0,0]=4 538 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,0,0,1,0,1|2,0,0]=4 539 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,0,0,1,0,1|1,0,1]=4 540 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,0,1,0,1|1,0,0]=3 541 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,1,0,1|1,0,0]=3 542 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,1|0,0,0]=2 543 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,1|0,0,0]=2 544 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [0,0,0,1,0,1|1,0,0]=3 545 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [0,0,0,1,0,1|1,0,0]=3 546 B7R1.20 CC(=O)CC1CC1 Z1198160502 [0,0,0,1,0,1|1,0,0]=3 547 B7R1.20 CC(C)CC1CO1 Z1020679872 [0,0,0,1,0,1|1,0,1]=4 548 B7R1.20 NC(=NC1CC1)N Z1815149162 [0,0,0,1,0,1|2,0,0]=4 549 B7R1.20 NC(=O)CC1CC1 Z365255854 [0,0,0,1,0,1|1,0,0]=3 550 B7R1.20 NC(=O)NC1CC1 Z57000532 [0,0,0,1,0,1|1,0,0]=3 551 B7R1.20 NC(=S)NC1CC1 Z85934238 [0,0,0,1,0,1|1,1,0]=4 552 B7R1.20 O=C(O)CC1CC1 Z234893653 [0,0,0,1,0,1|0,0,0]=2 553 B7R1.4 C=C1CCOC1=O Z1255438435 [0,1,0,1,0,0|0,0,2]=4 554 B7R1.4 C=C1COCC1N Z3066568668 [0,1,0,1,0,0|2,0,0]=4 555 B7R1.4 CC1CCCC1=O Z813018382 [0,1,0,1,0,0|1,0,0]=3 556 B7R1.4 CC1CCNC1=O Z1198147219 [0,1,0,1,0,0|1,0,0]=3 557 B7R1.4 CC1NCCC1=O Z2733314209 [0,1,0,1,0,0|1,0,0]=3 558 B7R1.4 CN1C=COC1=O Z2732441923 [0,1,0,1,0,0|1,0,1]=4 559 B7R1.4 CN1CCCC1=O Z104478382 [0,1,0,1,0,0|2,0,0]=4 560 B7R1.4 CN1CCNC1=O Z336079928 [0,1,0,1,0,0|2,0,0]=4 561 B7R1.4 CN1CNCC1=O Z1601562352 [0,1,0,1,0,0|2,0,0]=4 562 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [0,1,0,1,0,0|1,0,1]=4 563 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,1,0,1,0,0|1,0,1]=4 564 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,1,0,0|1,0,0]=3 565 B7R1.4 NC1CCSC1=O Z56922158 [0,1,0,1,0,0|1,1,0]=4 566 B7R1.4 NC1CONC1=O Z336087816 [0,1,0,1,0,0|1,0,0]=3 567 B7R1.4 NN1CCOC1=O Z1198147716 [0,1,0,1,0,0|2,0,0]=4 568 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,1,0,1,0,0|1,1,0]=4 569 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,1,0,1,0,0|1,0,0]=3 570 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,1,0,1,0,0|1,1,0]=4 571 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,1,0,1,0,0|1,0,0]=3 572 B7R1.4 O=C1CCCC1Cl Z104492966 [0,1,0,1,0,0|2,0,0]=4 573 B7R1.4 O=C1NCCC1F Z1203745843 [0,1,0,1,0,0|2,0,0]=4 574 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [0,1,0,1,0,0|1,0,1]=4 575 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,1,0,1,0,0|1,0,0]=3 576 B7R1.17 CC1(CNC1=O)C Z425427928 [0,1,0,1,0,0|1,0,0]=3 577 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,1,0,1,0,0|1,0,1]=4 578 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,1,0,1,0,0|2,0,0]=4 579 B7R1.18 N=C(N)C1CNC1 Z4479186811 [0,1,0,1,0,0|2,0,0]=4 580 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,1,0,1,0,0|1,0,0]=3 581 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,1,0,1,0,0|1,0,0]=3 582 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,1,0,1,0,0|0,0,0]=2 583 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,1,0,1,0,0|0,0,0]=2 584 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,1,0,1,0,0|0,0,0]=2 585 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,1,0,1,0,0|0,0,0]=2 586 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,1,0,1,0,0|1,0,0]=3 587 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,1,0,1,0,0|1,0,0]=3 588 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,1,0,1,0,0|1,0,0]=3 589 B7R1.19 CC(C)C1(CO1)C Z1020679970 [0,1,0,1,0,0|1,0,1]=4 590 B7R1.19 CC1(CC1)C(=N)N Z1198218317 [0,1,0,1,0,0|2,0,0]=4 591 B7R1.19 CC1(CC1)C(=O)N Z1203578696 [0,1,0,1,0,0|1,0,0]=3 592 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,1,0,1,0,0|0,0,0]=2 593 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,1,0,1,0,0|1,0,0]=3 594 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,1,0,1,0,0|0,0,0]=2 595 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,1,0,1,0,0|0,0,0]=2 596 B7R1.22 CC(C=O)C1CC1 Z1263529480 [0,1,0,1,0,0|1,0,1]=4 597 B7R1.22 CN(N=O)C1CC1 Z1934631325 [0,1,0,1,0,0|2,0,0]=4 598 B7R1.22 CNC(=N)C1CC1 Z2120060845 [0,1,0,1,0,0|2,0,0]=4 599 B7R1.22 CNC(=O)C1CC1 Z32016401 [0,1,0,1,0,0|1,0,0]=3 600 B7R1.22 N/C(=N\O)/C1CC1 Z335452744 [0,1,0,1,0,0|1,0,0]=3 601 B7R1.22 N=C(NN)C1CC1 Z951367962 [0,1,0,1,0,0|2,0,0]=4 602 B7R1.22 NC(CO)C1CC1 Z1362754532 [0,1,0,1,0,0|1,0,1]=4 603 B7R1.22 NCC(O)C1CC1 Z802856322 [0,1,0,1,0,0|1,0,1]=4 604 B7R1.22 NNC(=O)C1CC1 Z56891400 [0,1,0,1,0,0|1,0,0]=3 605 B7R1.22 O=C(CCl)C1CC1 Z1205657701 [0,1,0,1,0,0|1,0,0]=3 606 B7R1.22 O=C(CO)C1CC1 Z1172087188 [0,1,0,1,0,0|0,0,0]=2 607 B7R1.22 O=C(NO)C1CC1 Z59183989 [0,1,0,1,0,0|0,0,0]=2 608 B7R1.23 CC1(CC1C=O)C Z1511745659 [0,1,0,1,0,0|1,0,1]=4 609 B7R1.23 CC1(CC1CO)C Z1198310193 [0,1,0,1,0,0|1,0,1]=4 610 B7R1.23 CC1(C[C@@H]1C=O)C Z1511802856 [0,1,0,1,0,0|1,0,1]=4 611 B7R1.23 CC1(OC1C#N)C Z1198150592 [0,1,0,1,0,0|1,0,1]=4 612 B7R1.23 CC1(OC1C=O)C Z1511743636 [0,1,0,1,0,0|0,0,1]=3 613 B7R1.23 CC1(OC1CCl)C Z1205657657 [0,1,0,1,0,0|1,0,1]=4 614 B7R1.23 CC1(OC1CO)C Z1486035926 [0,1,0,1,0,0|0,0,2]=4 615 B7R1.23 CC1(O[C@@H]1CO)C Z1896550092 [0,1,0,1,0,0|0,0,2]=4 616 B7R1.23 CC1(O[C@H]1CO)C Z1896541488 [0,1,0,1,0,0|0,0,2]=4 617 B7R1.27 CC1CC1(C)C=O Z1513984691 [0,1,0,1,0,0|1,0,1]=4 618 B7R1.26 CC(C)(C)C1CO1 Z278165182 [0,1,0,1,0,0|1,0,1]=4 619 B7R1.26 CC(C)(C)[C@@H]1CO1 Z1575341657 [0,1,0,1,0,0|1,0,1]=4 620 B7R1.26 CC(C)(O)C1CC1 Z449374598 [0,1,0,1,0,0|1,0,1]=4 621 B7R1.26 CC(C)(O)C1CO1 Z1504677029 [0,1,0,1,0,0|1,0,1]=4 622 B7R1.26 NS(=O)(=O)C1CC1 Z1233201610 [0,1,0,1,0,0|1,0,1]=4 623 B7R2.1 C1CC1C2CO2 Z1020679808 [0,0,0,2,0,0|1,0,1]=4 624 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,0,2|1,0,1]=4 625 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,0,2|1,0,1]=4 626 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,0,0,0,0,2|2,0,0]=4 627 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [0,0,0,0,0,2|0,0,0]=2 628 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,0,0,0,0,2|2,0,0]=4 629 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,0,0,0,0,2|0,0,0]=2 630 B7R0.6 CC(C)CNC(=O)N Z56895708 [0,0,0,0,0,2|1,0,0]=3 631 B7R0.6 CC(C)NCC(=O)N Z56969693 [0,0,0,0,0,2|1,0,0]=3 632 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,0,0,0,0,2|0,0,0]=2 633 B7R0.6 CC(C)OCC(=N)N Z1511495251 [0,0,0,0,0,2|2,0,0]=4 634 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,0,0,0,0,2|0,0,0]=2 635 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,0,0,0,0,2|0,0,0]=2 636 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,0,0,0,0,2|1,0,0]=3 637 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,0,0,0,0,2|1,0,0]=3 638 B7R0.6 CC(O)CNC(C)C Z138692704 [0,0,0,0,0,2|1,0,1]=4 639 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,0,0,0,0,2|2,0,0]=4 640 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,0,0,0,0,2|1,0,0]=3 641 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,0,0,0,0,2|2,0,0]=4