0 B6R0.8 C#CC(C)(C)NC Z5942912613 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.8 C#CC(C)(C)OC Z1198169184 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.8 C#CC(C)(O)CC Z1251192957 [0,0,0,0,0,0|0,0,0]=0 3 B6R0.8 C=CC(C)(N)CC Z3042074270 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.8 CC(C)(CN)CO Z3247605488 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.8 CC(N)(C#N)CO Z2082998957 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.8 CCC(C)(C)C#N Z1079179196 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.8 CCC(C)(C)CO Z995039230 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.8 CCC(C)(C)NC Z335250498 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.8 CCC(C)(N)CC Z1267881628 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.8 CCC(C)(N)CN Z425861002 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.8 CCC(C)(N)CO Z734150850 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.8 CCC(C)(O)CC Z449374480 [0,0,0,0,0,0|0,0,2]=2 13 B6R0.8 CCC(C)(O)CN Z419085064 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.8 CNC(C)(C)C#N Z56347264 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.8 CNC(C)(C)CN Z1511495256 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.8 CNC(C)(C)CO Z425727892 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.8 COC(C)(C)CN Z1266933932 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.8 COC(C)(C)CO Z1255430497 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.8 CSC(C)(C)C#N Z1258769726 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.8 CSC(C)(C)CN Z1203639115 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.3 C#CC(N)CO Z2235790715 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.3 CC(C#N)C#N Z844634884 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.3 CC(C#N)CO Z406338220 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.3 CC(CN)CN Z951173758 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.3 CC(CN)CO Z406342068 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.3 CC(CO)CS Z1262475362 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.3 CCC(C)CN Z2350903977 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.3 CCC(C)NC Z594038230 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.3 CCC(N)C#N Z445129502 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.3 CCC(N)CN Z1263714131 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 CCC(N)CO Z104474862 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.3 CCC(O)C#N Z419078094 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.3 CCC(O)CN Z419084746 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.3 CCC(O)CO Z600450538 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.3 CCN(C)C=O Z1258520870 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.3 CCN(C)N=O Z1198147516 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.3 CC[C@@H](N)C#N Z1203638467 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.3 CC[C@H](N)CO Z1203162358 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.3 CNC(C)CN Z941154208 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.3 COC(C)CN Z1795817756 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.3 COC(C)CO Z1198150719 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.3 CSC(C)CN Z844632970 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.3 CSC(C)CO Z1273053291 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.3 N#CC(N)CO Z2301438409 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.3 NCC(O)CF Z2311274712 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.3 OCC(O)CO Z104473548 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.3 OCC(O)CS Z1255382958 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.4 C#CC(C)(C)O Z1245735173 [1,0,0,0,0,0|0,0,0]=1 50 B5R0.4 C=CC(C)(C)N Z2940715337 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.4 CC(C)(C)C#N Z278179882 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.4 CC(C)(C)CN Z291234094 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.4 CC(C)(C)CO Z397587176 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.4 CC(C)(F)C#N Z1198369138 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.4 CC(C)(N)C#N Z57176535 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.4 CC(C)(N)CN Z1266854946 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.4 CC(C)(O)C#N Z104473082 [1,0,0,0,0,0|1,0,0]=2 58 B5R0.4 CC(C)(O)CO Z600454414 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.4 CC(F)(F)CN Z1201623622 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.4 CCC(C)(C)N Z104480062 [1,0,0,0,0,0|1,0,1]=3 61 B5R0.4 CCC(C)(C)O Z104473496 [1,0,0,0,0,0|0,0,1]=2 62 B7R0.11 C#CCC(C)(C)CN Z2786076871 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.11 C#CCC(C)(O)CC Z1098923702 [0,1,0,0,0,0|0,0,0]=1 64 B7R0.11 CC(C)(CN)CCO Z1203583786 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.11 CC(C)(CO)CC#N Z1198174423 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.11 CC(C)(CO)CCN Z2234185673 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.11 CC(O)(CO)CCO Z1238572721 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.11 CCC(C)(C)CCN Z2724442932 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.11 CCC(C)(C)CCO Z1198160090 [0,1,0,0,0,0|1,0,2]=4 70 B7R0.11 CCC(C)(N)COC Z4185518785 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.11 CCCC(C)(N)CO Z734150846 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.11 CCNC(C)(C)CO Z286489718 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.11 CCOC(C)(C)CO Z1251352968 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.11 CNC(C)(C)COC Z1093758072 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.11 CNCC(C)(C)CO Z1198235262 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.11 CNCC(C)(C)NC Z4308916979 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.11 COC(C)(C)CCN Z2739025483 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.11 COCC(C)(C)C#N Z1255429538 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.11 COCC(C)(C)CN Z2188171555 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.11 COCC(C)(C)CO Z1198238137 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.11 COCC(C)(N)C#N Z898336310 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.11 COCC(C)(N)CN Z992447310 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.11 COCC(C)(N)CO Z992449368 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.11 COCC(C)(O)CN Z992449016 [0,1,0,0,0,0|1,0,1]=3 85 B7R0.11 CSCC(C)(O)CN Z1235968368 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.13 CC(C)C(C)(C)CN Z1770193479 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.13 CC(C)C(C)(N)C#N Z56943431 [0,1,0,0,0,0|2,0,0]=3 88 B7R0.13 CC(C)C(C)(N)CO Z2160887261 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.13 CC(C)C(C)(O)CN Z419085036 [0,1,0,0,0,0|1,0,1]=3 90 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.13 CC(O)C(C)(O)CO Z1896353165 [0,1,0,0,0,0|1,0,1]=3 92 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.13 CCC(C)(C)C(C)C Z1198148974 [0,1,0,0,0,0|1,0,2]=4 96 B7R0.13 CCC(C)(C)C(C)N Z1509089498 [0,1,0,0,0,0|1,0,2]=4 97 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,1,0,0,0,0|1,0,1]=3 100 B7R0.13 COC(C)(C)C(C)N Z2831701922 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.18 C#CC(N)(CO)CO Z4890240833 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.18 CC(CO)(CO)CO Z299622542 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.18 CCC(C)(C#N)CC Z1201618418 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.18 CCC(C)(C#N)OC Z1270207053 [0,1,0,0,0,0|1,0,0]=2 105 B7R0.18 CCC(C)(CC)CN Z2941505587 [0,1,0,0,0,0|1,0,2]=4 106 B7R0.18 CCC(C)(CN)CO Z1203583788 [0,1,0,0,0,0|1,0,1]=3 107 B7R0.18 CCC(N)(C#N)CC Z444311662 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.18 CCC(N)(CC)CO Z734151048 [0,1,0,0,0,0|1,0,2]=4 109 B7R0.18 CCC(O)(CC)CC Z449374516 [0,1,0,0,0,0|0,0,2]=3 110 B7R0.18 CCC(O)(CC)CN Z419084794 [0,1,0,0,0,0|0,0,2]=3 111 B7R0.18 NCC(O)(CO)CO Z3268384933 [0,1,0,0,0,0|2,0,1]=4 112 B7R1.14 CC1(CCCC1)O Z449370856 [0,0,0,1,0,0|0,0,2]=3 113 B7R1.14 CC1(CCCN1)C Z1259335892 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.14 CC1(CCNC1)C Z1270207926 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.14 CC1(CCNC1)O Z1139194384 [0,0,0,1,0,0|1,0,1]=3 116 B7R1.14 CC1(CCOC1)N Z1895741238 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.14 CC1(CCSC1)N Z4990294346 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.14 CC1(CCSC1)O Z1359841674 [0,0,0,1,0,0|1,0,1]=3 119 B7R1.14 CC1(CNOC1)O Z3035808330 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.17 CC1(CCC1=O)C Z1416192672 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.17 CC1(CCC1N)C Z1813195196 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.25 C#CC1(CNC1)F Z2787233214 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.25 C=CC1(CCC1)N Z3241265563 [0,0,0,1,0,0|1,0,2]=4 124 B7R1.25 CC1(CCC1)C#N Z1255381956 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.25 CC1(CCC1)C=O Z1198728427 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.25 CC1(CCC1)CN Z1357823912 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.25 CC1(CNC1)C#N Z2284399027 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.25 CCC1(CCC1)N Z1333043532 [0,0,0,1,0,0|1,0,2]=4 129 B7R1.25 CNC1(CCC1)C Z1255443634 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.25 N#CC1(CCC1)N Z406679978 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.25 N#CC1(CNC1)F Z2895310394 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.25 NC1(CCC1)CO Z1203581511 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.25 NCC1(CCC1)Cl Z4313035783 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.25 NCC1(CCC1)F Z1862011799 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.25 NCC1(CCC1)O Z419084774 [0,0,0,1,0,0|1,0,1]=3 136 B7R1.25 OCC1(CCC1)O Z1537124745 [0,0,0,1,0,0|1,0,1]=3 137 B7R1.27 CC1CC1(C)C=O Z1513984691 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.29 C#CC1(CC1)NC Z5610285650 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.29 CCC1(CC1)C=O Z1511776317 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.29 CCC1(CC1)CN Z1354487558 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.29 CCC1(CC1)NC Z2310673213 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.29 CCC1(CO1)CC Z1020679898 [0,0,0,1,0,0|0,0,2]=3 143 B7R1.29 ClCC1(CO1)CCl Z1205657482 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.29 N#CC1(CC1)CN Z2418413988 [0,0,0,1,0,0|3,0,0]=4 145 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|1,0,1]=4 146 B4R0.1 C#CC(C)O Z1251193370 [2,0,0,0,0,0|0,0,0]=2 147 B4R0.1 CC(C)NO Z1198161074 [2,0,0,0,0,0|2,0,0]=4 148 B4R0.1 CC(F)CN Z2941405027 [2,0,0,0,0,0|2,0,0]=4 149 B4R0.1 CC(N)CF Z2096088772 [2,0,0,0,0,0|2,0,0]=4 150 B4R0.1 CC(N)CN Z104474490 [2,0,0,0,0,0|2,0,0]=4 151 B4R0.1 CC(O)CN Z104477092 [2,0,0,0,0,0|1,0,0]=3 152 B4R0.1 CC(O)CO Z106938868 [2,0,0,0,0,0|1,0,0]=3 153 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|1,0,1]=4 154 B4R0.1 CCC(C)N Z104472234 [2,0,0,0,0,0|1,0,0]=3 155 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|0,0,0]=2 156 B4R0.1 CN(C)C#N Z1255394988 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.1 C[C@@H](N)CN Z3234812272 [2,0,0,0,0,0|2,0,0]=4 158 B4R0.1 C[C@@H](N)CO Z346076140 [2,0,0,0,0,0|2,0,0]=4 159 B4R0.1 C[C@@H](O)CO Z1255486379 [2,0,0,0,0,0|1,0,0]=3 160 B4R0.1 C[C@H](N)CN Z1741977335 [2,0,0,0,0,0|2,0,0]=4 161 B4R0.1 C[C@H](O)CN Z1203577967 [2,0,0,0,0,0|1,0,0]=3 162 B4R0.1 C[C@H](O)CO Z1255449993 [2,0,0,0,0,0|1,0,0]=3 163 B4R0.2 C#CCCN Z1267881669 [2,0,0,0,0,0|1,0,0]=3 164 B4R0.2 CCCC#N Z238878246 [2,0,0,0,0,0|1,0,0]=3 165 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|1,0,1]=4 166 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|1,0,1]=4 167 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|2,0,0]=4 168 B4R0.2 CNCC#N Z1262250834 [2,0,0,0,0,0|2,0,0]=4 169 B4R0.2 COCC#N Z86023357 [2,0,0,0,0,0|2,0,0]=4 170 B4R0.2 N#CCCN Z1895741700 [2,0,0,0,0,0|2,0,0]=4 171 B4R0.3 CC(C)(C)Cl Z281778956 [2,0,0,0,0,0|1,0,1]=4 172 B6R0.1 C#CC(=O)OCC Z104478880 [1,1,0,0,0,0|0,0,2]=4 173 B6R0.1 C#CCC(N)CC Z969111798 [1,1,0,0,0,0|1,0,0]=3 174 B6R0.1 C#CCC(O)CN Z2491498074 [1,1,0,0,0,0|1,0,0]=3 175 B6R0.1 C=CCC(O)CC Z808662120 [1,1,0,0,0,0|0,0,2]=4 176 B6R0.1 CC(CN)CCO Z1203581915 [1,1,0,0,0,0|1,0,1]=4 177 B6R0.1 CC(CO)CCN Z5410631465 [1,1,0,0,0,0|1,0,1]=4 178 B6R0.1 CCC(C)CNC Z1266854907 [1,1,0,0,0,0|0,0,2]=4 179 B6R0.1 CCC(C)N=C=S Z323038722 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.1 CCC(O)CCN Z406342052 [1,1,0,0,0,0|0,0,2]=4 181 B6R0.1 CCC(O)CCO Z1198157972 [1,1,0,0,0,0|0,0,2]=4 182 B6R0.1 CCCC(C)C#N Z415654768 [1,1,0,0,0,0|1,0,0]=3 183 B6R0.1 CCCC(C)NC Z394693580 [1,1,0,0,0,0|1,0,1]=4 184 B6R0.1 CCCC(N)C#N Z398513448 [1,1,0,0,0,0|2,0,0]=4 185 B6R0.1 CCCC(O)CN Z419084742 [1,1,0,0,0,0|1,0,1]=4 186 B6R0.1 CCNC(C)C#N Z2526709253 [1,1,0,0,0,0|1,0,0]=3 187 B6R0.1 CCNC(C)CC Z2509351098 [1,1,0,0,0,0|0,0,2]=4 188 B6R0.1 CCOC(C)CN Z844631802 [1,1,0,0,0,0|1,0,1]=4 189 B6R0.1 CCSC(C)C#N Z45225009 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.1 CNC(C)CC#N Z666295372 [1,1,0,0,0,0|1,0,1]=4 191 B6R0.1 CNC(C)CCO Z1198266877 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.1 CNC(C)COC Z815264298 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.1 CNC(C)CSC Z995116552 [1,1,0,0,0,0|1,0,1]=4 194 B6R0.1 CNCC(C)OC Z2065788390 [1,1,0,0,0,0|1,0,1]=4 195 B6R0.1 CNC[C@H](O)CO Z600533638 [1,1,0,0,0,0|1,0,1]=4 196 B6R0.1 COC(C)CC#N Z847151020 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.1 COC(C)CCN Z802903932 [1,1,0,0,0,0|1,0,1]=4 198 B6R0.1 COCC(C)CO Z1192375999 [1,1,0,0,0,0|1,0,1]=4 199 B6R0.1 COCC(N)C#N Z1601562385 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.1 COCC(O)CN Z271097108 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.1 CSC(C)CCN Z732208464 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.1 CSC(C)CCO Z1262258908 [1,1,0,0,0,0|1,0,1]=4 203 B6R0.1 CSCC(C)CN Z732208434 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.1 CSCC(C)CO Z1270310211 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.1 CSCC(O)CO Z1126770422 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.3 C#CC(C)N(C)C Z4928730999 [1,1,0,0,0,0|1,0,0]=3 207 B6R0.3 C#CC(N)C(C)C Z1982493902 [1,1,0,0,0,0|1,0,0]=3 208 B6R0.3 C#C[C@@H](N)C(C)C Z4351247948 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.3 CC(C)C(C)C#N Z415654752 [1,1,0,0,0,0|1,0,0]=3 210 B6R0.3 CC(C)C(C)CN Z415654990 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.3 CC(C)C(N)C#N Z1266854874 [1,1,0,0,0,0|2,0,0]=4 212 B6R0.3 CC(C)C(O)C#N Z802900598 [1,1,0,0,0,0|1,0,0]=3 213 B6R0.3 CC(C)C(O)CN Z1255523288 [1,1,0,0,0,0|1,0,1]=4 214 B6R0.3 CC(C)[C@@H](N)C#N Z1695797928 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.3 CC(C)[C@H](N)C#N Z1708090079 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.3 CC(N)C(C)CO Z1203581847 [1,1,0,0,0,0|1,0,1]=4 217 B6R0.3 CCC(C)C(=N)N Z823287482 [1,1,0,0,0,0|1,0,1]=4 218 B6R0.3 CCC(C)C(=O)N Z270978420 [1,1,0,0,0,0|1,0,1]=4 219 B6R0.3 CCC(C)C(=O)O Z237374874 [1,1,0,0,0,0|1,0,1]=4 220 B6R0.3 CCC(C)C(C)N Z335455612 [1,1,0,0,0,0|0,0,2]=4 221 B6R0.3 CCC(O)C(=O)N Z965049008 [1,1,0,0,0,0|1,0,1]=4 222 B6R0.3 CCC(O)C(=O)O Z246073650 [1,1,0,0,0,0|1,0,1]=4 223 B6R0.3 CCC(O)C(C)C Z445987082 [1,1,0,0,0,0|0,0,2]=4 224 B6R0.3 CCC(O)C(C)O Z1251352132 [1,1,0,0,0,0|0,0,2]=4 225 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.3 CNC(C)C(C)C Z139701846 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [1,1,0,0,0,0|1,0,1]=4 228 B6R0.3 COC(C)[C@H](C)N Z1795817829 [1,1,0,0,0,0|1,0,1]=4 229 B6R0.3 CSC(C)C(C)O Z1273036711 [1,1,0,0,0,0|1,0,1]=4 230 B6R0.9 C#CC(CC)CN Z5851994475 [1,1,0,0,0,0|0,0,0]=2 231 B6R0.9 CCC(C#N)NC Z2472860014 [1,1,0,0,0,0|1,0,0]=3 232 B6R0.9 CCC(C#N)OC Z851010100 [1,1,0,0,0,0|1,0,0]=3 233 B6R0.9 CCC(CC)NC Z1262254286 [1,1,0,0,0,0|0,0,2]=4 234 B6R0.9 CCC(CN)OC Z2168541798 [1,1,0,0,0,0|1,0,1]=4 235 B6R0.9 CCC(CO)CO Z1198261463 [1,1,0,0,0,0|1,0,1]=4 236 B6R0.9 CCC(CO)OC Z1255373272 [1,1,0,0,0,0|1,0,1]=4 237 B6R0.9 COC(C#N)OC Z1255464222 [1,1,0,0,0,0|2,0,0]=4 238 B6R0.5 C#CCC(C)(C)N Z3210767531 [1,1,0,0,0,0|1,0,0]=3 239 B6R0.5 C#CCC(C)(C)O Z1098923701 [1,1,0,0,0,0|0,0,0]=2 240 B6R0.5 CC#CC(C)(C)N Z1203578926 [1,1,0,0,0,0|1,0,0]=3 241 B6R0.5 CC(C)(F)CCN Z2515207542 [1,1,0,0,0,0|1,0,1]=4 242 B6R0.5 CC(C)(N)CCF Z4297373689 [1,1,0,0,0,0|1,0,1]=4 243 B6R0.5 CC(C)(N)CCN Z2218555716 [1,1,0,0,0,0|1,0,1]=4 244 B6R0.5 CC(C)(N)CCO Z1198183553 [1,1,0,0,0,0|1,0,1]=4 245 B6R0.5 CC(C)(O)CC#N Z1182322175 [1,1,0,0,0,0|0,0,1]=3 246 B6R0.5 CC(F)(F)CCN Z2230911674 [1,1,0,0,0,0|2,0,0]=4 247 B6R0.5 CCCC(C)(C)N Z1262250787 [1,1,0,0,0,0|1,0,1]=4 248 B6R0.5 CCCC(C)(C)O Z449374450 [1,1,0,0,0,0|0,0,1]=3 249 B6R0.5 CNCC(C)(C)C Z992717054 [1,1,0,0,0,0|1,0,1]=4 250 B6R0.5 CNCC(C)(C)O Z600453550 [1,1,0,0,0,0|0,0,1]=3 251 B6R0.5 COCC(C)(C)N Z1258578421 [1,1,0,0,0,0|1,0,1]=4 252 B6R0.7 CC(=O)C(C)(C)O Z939661728 [1,1,0,0,0,0|0,0,2]=4 253 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [1,1,0,0,0,0|1,0,1]=4 254 B6R0.7 CC(C)(O)C(F)F Z1413814779 [1,1,0,0,0,0|1,0,1]=4 255 B6R0.7 CC(C)C(C)(C)N Z1270446314 [1,1,0,0,0,0|1,0,1]=4 256 B6R0.7 CC(N)C(C)(C)F Z3487099771 [1,1,0,0,0,0|1,0,1]=4 257 B6R0.7 CC(N)C(C)(F)F Z2234631218 [1,1,0,0,0,0|2,0,0]=4 258 B6R0.7 CC(O)C(C)(C)N Z3688848535 [1,1,0,0,0,0|1,0,1]=4 259 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,2,0,0,0,0|1,0,1]=4 260 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,2,0,0,0,0|1,0,1]=4 261 B8R0.25 COCCC(C)(O)CN Z879074216 [0,2,0,0,0,0|1,0,1]=4 262 B8R0.25 CSCCC(C)(N)C#N Z2065464352 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.30 CC(O)(CC#N)CC#N Z1255397143 [0,2,0,0,0,0|0,0,2]=4 264 B8R0.31 CCC(C)(CNC)OC Z4165522940 [0,2,0,0,0,0|0,0,2]=4 265 B8R0.31 CNC(C)(CO)COC Z992449352 [0,2,0,0,0,0|1,0,1]=4 266 B8R0.31 COCC(C)(CO)CO Z1627202220 [0,2,0,0,0,0|1,0,1]=4 267 B8R0.31 COCC(O)(CN)CO Z3446469121 [0,2,0,0,0,0|1,0,1]=4 268 B8R0.34 C#CC(C)(C)NC(=O)C Z1187696572 [0,2,0,0,0,0|1,0,1]=4 269 B8R0.34 C#CC(C)(C)NC(C)C Z4222464781 [0,2,0,0,0,0|1,0,0]=3 270 B8R0.34 CC(C)CC(C)(C)C#N Z1255383252 [0,2,0,0,0,0|2,0,0]=4 271 B8R0.34 CC(C)NC(C)(C)C#N Z56347216 [0,2,0,0,0,0|2,0,0]=4 272 B8R0.34 CN(C)CC(C)(O)CN Z1250164252 [0,2,0,0,0,0|1,0,1]=4 273 B8R0.17 C#CC(C)(C)S(=O)(=O)C Z3685973272 [0,2,0,0,0,0|2,0,0]=4 274 B8R0.17 CC(C)(C)C(C)(N)C#N Z247612948 [0,2,0,0,0,0|2,0,0]=4 275 B8R0.17 CC(C)(C)C(C)(O)CN Z3067125760 [0,2,0,0,0,0|1,0,1]=4 276 B8R0.36 CCC(C)(C#N)C(=O)N Z1203583967 [0,2,0,0,0,0|1,0,1]=4 277 B8R0.36 CCC(C)(C#N)C(=O)O Z1205494421 [0,2,0,0,0,0|1,0,0]=3 278 B8R0.36 CCC(C)(CN)C(=O)O Z2855347040 [0,2,0,0,0,0|1,0,1]=4 279 B8R0.36 CCC(C)(CN)C(C)O Z1259285407 [0,2,0,0,0,0|1,0,1]=4 280 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,2,0,0,0,0|1,0,1]=4 281 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,2,0,0,0,0|1,0,1]=4 282 B8R0.37 CC(C)C(C)(O)C(C)C Z449374554 [0,2,0,0,0,0|0,0,2]=4 283 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,2,0,0,0,0|1,0,1]=4 284 B8R0.37 CC(O)C(C)(O)C(C)O Z1896353427 [0,2,0,0,0,0|0,0,2]=4 285 B8R0.10 CCC(C#N)(CC)CC Z1201617335 [0,2,0,0,0,0|2,0,0]=4 286 B8R0.10 CCC(C#N)(CC)NC Z359508484 [0,2,0,0,0,0|2,0,0]=4 287 B8R0.10 CCC(C#N)(CC)OC Z1270206909 [0,2,0,0,0,0|1,0,0]=3 288 B8R0.10 CCC(CC)(CC)CO Z1270136301 [0,2,0,0,0,0|0,0,2]=4 289 B8R0.10 CCC(CC)(CN)CO Z945434714 [0,2,0,0,0,0|0,0,2]=4 290 B8R0.10 CCC(CO)(CO)CO Z104473550 [0,2,0,0,0,0|1,0,1]=4 291 B6R1.2 CC1CCCN1 Z1274177652 [1,0,0,1,0,0|1,0,1]=4 292 B6R1.2 CC1CCNC1 Z729771722 [1,0,0,1,0,0|1,0,1]=4 293 B6R1.2 OC1C=CCC1 Z1255485846 [1,0,0,1,0,0|0,0,2]=4 294 B6R1.2 OC1CCOC1 Z1124541349 [1,0,0,1,0,0|1,0,1]=4 295 B6R1.2 OC1CCSC1 Z335244836 [1,0,0,1,0,0|1,0,1]=4 296 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [1,0,0,1,0,0|1,0,1]=4 297 B6R1.2 O[C@H]1CCNC1 Z1263714116 [1,0,0,1,0,0|1,0,1]=4 298 B6R1.4 CC1CCC1N Z2082999653 [1,0,0,1,0,0|1,0,1]=4 299 B6R1.6 CCC1CNC1 Z1203733931 [1,0,0,1,0,0|1,0,1]=4 300 B6R1.6 CNC1CCC1 Z1263820270 [1,0,0,1,0,0|1,0,1]=4 301 B6R1.6 N#CC1CCC1 Z406694072 [1,0,0,1,0,0|1,0,0]=3 302 B6R1.6 NCC1CCC1 Z381061564 [1,0,0,1,0,0|1,0,1]=4 303 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,1,0,0|1,0,1]=4 304 B6R1.7 C#CC1(CC1)C Z1861999732 [1,0,0,1,0,0|0,0,0]=2 305 B6R1.7 C#CC1(CC1)N Z1203653659 [1,0,0,1,0,0|1,0,0]=3 306 B6R1.7 CC1(CC1)C=O Z1263714317 [1,0,0,1,0,0|1,0,1]=4 307 B6R1.7 CC1(CC1)CN Z1335657802 [1,0,0,1,0,0|1,0,1]=4 308 B6R1.7 CCC1(CO1)C Z1020679924 [1,0,0,1,0,0|1,0,1]=4 309 B6R1.7 CNC1(CC1)C Z2310723089 [1,0,0,1,0,0|1,0,1]=4 310 B6R1.7 N#CC1(CC1)N Z1741972043 [1,0,0,1,0,0|2,0,0]=4 311 B6R1.8 CC1CC1C#N Z1079178904 [1,0,0,1,0,0|1,0,0]=3 312 B6R1.8 CC1CC1C=O Z1079442440 [1,0,0,1,0,0|1,0,1]=4 313 B6R1.8 CC1CC1CN Z415636622 [1,0,0,1,0,0|1,0,1]=4 314 B6R1.8 CC1CC1CO Z397587430 [1,0,0,1,0,0|1,0,1]=4 315 B6R1.8 CC1OC1CCl Z1205657581 [1,0,0,1,0,0|1,0,1]=4 316 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [1,0,0,1,0,0|1,0,1]=4 317 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [1,0,0,1,0,0|1,0,1]=4 318 B6R1.12 C[C@H]1C([C@@H]1C)N Z4052355194 [1,0,0,1,0,0|1,0,1]=4 319 B6R1.12 C[C@H]1[C@H]([C@@H]1N)C Z3847494912 [1,0,0,1,0,0|1,0,1]=4 320 B6R1.9 CC1OC1(C)C Z1255419606 [1,0,0,1,0,0|0,0,1]=3 321 B6R1.10 CC1(CCC1)N Z1741969618 [1,0,0,1,0,0|1,0,1]=4 322 B6R1.10 CC1(CCC1)O Z1241455013 [1,0,0,1,0,0|0,0,1]=3 323 B6R1.10 CC1(CCN1)C Z1198749898 [1,0,0,1,0,0|1,0,1]=4 324 B8R1.19 C[C@]1(CCC[C@H]1O)O Z3037315217 [0,1,0,1,0,0|0,0,2]=4 325 B8R1.28 CC(O)(CN)C1CC1 Z419084898 [0,1,0,1,0,0|1,0,1]=4 326 B8R1.52 C#CC1(CCCC1)N Z2785867970 [0,1,0,1,0,0|1,0,0]=3 327 B8R1.52 C#CC1(CCCC1)O Z57953034 [0,1,0,1,0,0|0,0,0]=2 328 B8R1.52 C#CC1(CCOC1)N Z4745354549 [0,1,0,1,0,0|1,0,0]=3 329 B8R1.52 CC1(CCCC1)CO Z1255466752 [0,1,0,1,0,0|0,0,2]=4 330 B8R1.52 CC1(CCCO1)C#N Z384972070 [0,1,0,1,0,0|1,0,0]=3 331 B8R1.52 CC1(CCCO1)C=O Z1389061333 [0,1,0,1,0,0|1,0,1]=4 332 B8R1.52 CC1(CCCO1)CN Z1198218662 [0,1,0,1,0,0|1,0,1]=4 333 B8R1.52 CC1(CCCO1)CO Z1389059207 [0,1,0,1,0,0|1,0,1]=4 334 B8R1.52 CC1(CCNC1)C#N Z1255373827 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.52 CC1(CCNC1)CO Z1270138787 [0,1,0,1,0,0|1,0,1]=4 336 B8R1.52 CC1(CCOC1)C=O Z1511835334 [0,1,0,1,0,0|1,0,1]=4 337 B8R1.52 CC1(CCOC1)CN Z995185734 [0,1,0,1,0,0|1,0,1]=4 338 B8R1.52 CC1(CCOC1)CO Z1270138617 [0,1,0,1,0,0|1,0,1]=4 339 B8R1.52 CC1(OCCO1)CN Z1198278649 [0,1,0,1,0,0|1,0,1]=4 340 B8R1.52 CCC1(CCNC1)O Z1742055042 [0,1,0,1,0,0|0,0,2]=4 341 B8R1.52 CNC1(CCOC1)C Z3824199181 [0,1,0,1,0,0|1,0,1]=4 342 B8R1.52 COC1(CCNC1)C Z2237598976 [0,1,0,1,0,0|1,0,1]=4 343 B8R1.52 N#CC1(CCCC1)O Z419078448 [0,1,0,1,0,0|1,0,0]=3 344 B8R1.52 N#CC1(CCNC1)F Z1416194938 [0,1,0,1,0,0|2,0,0]=4 345 B8R1.52 N#CC1(CCSC1)N Z247612682 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.52 NCC1(CCCC1)O Z330827814 [0,1,0,1,0,0|0,0,2]=4 347 B8R1.52 NCC1(CCOC1)O Z1124555593 [0,1,0,1,0,0|1,0,1]=4 348 B8R1.52 NCC1(CCSC1)O Z1333761731 [0,1,0,1,0,0|1,0,1]=4 349 B8R1.52 OCC1(CCCC1)O Z1258947137 [0,1,0,1,0,0|0,0,2]=4 350 B8R1.52 OCC1(CCOC1)O Z1537124515 [0,1,0,1,0,0|1,0,1]=4 351 B8R1.66 C#CCC1(CCC1)N Z2900143301 [0,1,0,1,0,0|1,0,0]=3 352 B8R1.66 CCCC1(CNC1)O Z3325252873 [0,1,0,1,0,0|1,0,1]=4 353 B8R1.66 CNCC1(CCC1)O Z1436535807 [0,1,0,1,0,0|0,0,2]=4 354 B8R1.66 NCCC1(CNC1)O Z1953526125 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.72 CC1(C=CCCC1)O Z1691624687 [0,1,0,1,0,0|0,0,2]=4 356 B8R1.72 CC1(CCCCC1)O Z449370586 [0,1,0,1,0,0|0,0,2]=4 357 B8R1.72 CC1(CCNCC1)O Z1416200885 [0,1,0,1,0,0|0,0,2]=4 358 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,1,0,1,0,0|1,0,1]=4 359 B8R1.60 C#CC1(CCC1)CN Z4020011526 [0,1,0,1,0,0|1,0,0]=3 360 B8R1.60 CCC1(COC1)C=O Z1255359557 [0,1,0,1,0,0|1,0,1]=4 361 B8R1.60 CNC1(CCC1)C#N Z400377166 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.60 COC1(CCC1)C#N Z1270206919 [0,1,0,1,0,0|1,0,0]=3 363 B8R1.60 COC1(CCC1)C=O Z2098816729 [0,1,0,1,0,0|1,0,1]=4 364 B8R1.60 COC1(CCC1)CO Z2098817254 [0,1,0,1,0,0|1,0,1]=4 365 B8R1.60 COC1(CCC1)OC Z1614786334 [0,1,0,1,0,0|1,0,1]=4 366 B8R2.2 C[C@]12CCC[C@H]1O2 Z4597543898 [0,0,0,2,0,0|0,0,2]=4 367 B8R2.55 C1CC2(CO1)CO2 Z1124555951 [0,0,0,2,0,0|1,0,1]=4 368 B8R2.55 C1CCC2(C1)CO2 Z1020680028 [0,0,0,2,0,0|0,0,2]=4