0 B5R0.3 C/N=C(\C)/NC Z1431002714 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 C/N=C(\N)/NC Z1089996530 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C/N=C(\N)/SC Z107728770 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.3 CC(C#N)C#N Z844634884 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.3 CC(C#N)CO Z406338220 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.3 CC(CN)CN Z951173758 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.3 CC(CN)CO Z406342068 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.3 CC(CO)CS Z1262475362 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.3 CCC(=O)CC Z104476878 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 CCC(C)CN Z2350903977 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.3 CCC(C)NC Z594038230 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.3 CCC(N)C#N Z445129502 [0,0,0,0,0,0|4,0,0]=4 12 B5R0.3 CCC(N)CN Z1263714131 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.3 CCC(N)CO Z104474862 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.3 CCC(O)C#N Z419078094 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.3 CCC(O)CN Z419084746 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.3 CCC(O)CO Z600450538 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.3 CCN(C)C=O Z1258520870 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.3 CCN(C)N=O Z1198147516 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.3 CC[C@@H](N)C#N Z1203638467 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.3 CC[C@@H](N)CO Z1203162359 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.3 CC[C@H](N)CO Z1203162358 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.3 CNC(C)CN Z941154208 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.3 COC(=O)CN Z57042020 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.3 COC(C)CN Z1795817756 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.3 COC(C)CO Z1198150719 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.3 CSC(C)CN Z844632970 [0,0,0,0,0,0|2,1,0]=3 27 B5R0.3 CSC(C)CO Z1273053291 [0,0,0,0,0,0|2,1,0]=3 28 B4R0.1 C#CC(C)O Z1251193370 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 C=CC(C)N Z1446855743 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 CC(C)NO Z1198161074 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 CC(F)CN Z2941405027 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 CC(N)CF Z2096088772 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 CC(N)CN Z104474490 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 CCC(C)N Z104472234 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|1,0,0]=2 39 B4R0.1 CN(C)C#N Z1255394988 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 CN(C)N=O Z1255485177 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 CNC(=N)C Z2146515751 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 CNC(=O)C Z32016274 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.1 COC(=N)N Z1741976783 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 COC(=O)N Z104476722 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.1 C[C@@H](N)CN Z3234812272 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 C[C@@H](N)CO Z346076140 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 C[C@H](N)CN Z1741977335 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.2 CCCC#N Z238878246 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.2 CCCCN Z104474314 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.2 CCCCO Z104473488 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.2 CCCNN Z415728048 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.2 CNCC#N Z1262250834 [1,0,0,0,0,0|3,0,0]=4 56 B4R0.2 COCC#N Z86023357 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.2 COCCO Z104473522 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.2 CSCCO Z149154880 [1,0,0,0,0,0|2,1,0]=4 59 B6R0.1 CC(CN)CCO Z1203581915 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.1 CC(CO)CCN Z5410631465 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.1 CCC(=O)COC Z825742020 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.1 CCC(C)CNC Z1266854907 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.1 CCC(C)N=C=S Z323038722 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.1 CCC(N)CCO Z1258578227 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.1 CCC(N)COC Z825742260 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.1 CCC(O)CCN Z406342052 [0,1,0,0,0,0|3,0,0]=4 67 B6R0.1 CCC(O)CCO Z1198157972 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.1 CCCC(C)C#N Z415654768 [0,1,0,0,0,0|3,0,0]=4 69 B6R0.1 CCCC(C)NC Z394693580 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.1 CCCC(N)CC Z1642389626 [0,1,0,0,0,0|3,0,0]=4 71 B6R0.1 CCNC(C)C#N Z2526709253 [0,1,0,0,0,0|3,0,0]=4 72 B6R0.1 CCNC(C)CC Z2509351098 [0,1,0,0,0,0|2,0,0]=3 73 B6R0.1 CCOC(=N)CC Z3033961910 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.1 CCOC(C)CN Z844631802 [0,1,0,0,0,0|2,0,0]=3 75 B6R0.1 CCSC(C)C#N Z45225009 [0,1,0,0,0,0|2,1,0]=4 76 B6R0.1 CNC(C)CC#N Z666295372 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.1 CNC(C)CCO Z1198266877 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.1 CNC(C)COC Z815264298 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.1 CNC(C)CSC Z995116552 [0,1,0,0,0,0|1,1,0]=3 80 B6R0.1 CNCC(=O)OC Z89264972 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.1 CNCC(C)OC Z2065788390 [0,1,0,0,0,0|1,0,0]=2 82 B6R0.1 CO/C(=N/C#N)/C Z445995030 [0,1,0,0,0,0|1,0,2]=4 83 B6R0.1 COC(C)CC#N Z847151020 [0,1,0,0,0,0|1,0,1]=3 84 B6R0.1 COC(C)CCN Z802903932 [0,1,0,0,0,0|1,0,0]=2 85 B6R0.1 COCC(C)CO Z1192375999 [0,1,0,0,0,0|2,0,0]=3 86 B6R0.1 COCC(N)C#N Z1601562385 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.1 COCC(N)CN Z1203580237 [0,1,0,0,0,0|3,0,0]=4 88 B6R0.1 COCC(N)CO Z1945984156 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.1 COCC(O)CN Z271097108 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.1 CSC(C)CCN Z732208464 [0,1,0,0,0,0|1,1,0]=3 91 B6R0.1 CSC(C)CCO Z1262258908 [0,1,0,0,0,0|1,1,0]=3 92 B6R0.1 CSCC(C)CN Z732208434 [0,1,0,0,0,0|2,1,0]=4 93 B6R0.1 CSCC(C)CO Z1270310211 [0,1,0,0,0,0|2,1,0]=4 94 B6R0.3 C#CC(C)N(C)C Z4928730999 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.3 CC(C)C(C)C#N Z415654752 [0,1,0,0,0,0|3,0,0]=4 96 B6R0.3 CC(C)C(C)CN Z415654990 [0,1,0,0,0,0|3,0,0]=4 97 B6R0.3 CC(CN)N(C)C Z367452450 [0,1,0,0,0,0|3,0,0]=4 98 B6R0.3 CC(N)C(C)CO Z1203581847 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.3 CCC(C)C(=N)N Z823287482 [0,1,0,0,0,0|3,0,0]=4 100 B6R0.3 CCC(C)C(=O)N Z270978420 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.3 CCC(C)C(=O)O Z237374874 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.3 CCC(C)C(C)N Z335455612 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.3 CCC(N)C(C)C Z823287438 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.3 CCC(O)C(C)C Z445987082 [0,1,0,0,0,0|3,0,0]=4 105 B6R0.3 CCC(O)C(C)O Z1251352132 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.3 CNC(C)C(C)C Z139701846 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.3 CNC(C)C(F)F Z4086726897 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.3 COC(=N)C(C)C Z2944341356 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 COC(=O)C(C)N Z56968898 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.3 COC(C)C(=N)N Z1365534351 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.3 COC(C)C(=O)C Z447898138 [0,1,0,0,0,0|1,0,0]=2 115 B6R0.3 COC(C)C(=O)N Z223645218 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.3 COC(C)C(=O)O Z316258898 [0,1,0,0,0,0|2,0,0]=3 117 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [0,1,0,0,0,0|1,0,0]=2 118 B6R0.3 COC(C)[C@H](C)N Z1795817829 [0,1,0,0,0,0|1,0,0]=2 119 B6R0.3 CSC(C)C(=N)N Z5622504221 [0,1,0,0,0,0|2,1,0]=4 120 B6R0.3 CSC(C)C(=O)O Z149191750 [0,1,0,0,0,0|2,1,0]=4 121 B6R0.3 CSC(C)C(C)O Z1273036711 [0,1,0,0,0,0|1,1,0]=3 122 B6R0.8 C#CC(C)(C)NC Z5942912613 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.8 C#CC(C)(C)OC Z1198169184 [0,1,0,0,0,0|1,0,1]=3 124 B6R0.8 C#CC(C)(O)CC Z1251192957 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.8 C=CC(C)(N)CC Z3042074270 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.8 CCC(C)(C)C#N Z1079179196 [0,1,0,0,0,0|3,0,0]=4 127 B6R0.8 CCC(C)(C)CO Z995039230 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.8 CCC(C)(C)NC Z335250498 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.8 CCC(C)(N)CC Z1267881628 [0,1,0,0,0,0|2,0,0]=3 130 B6R0.8 CCC(C)(N)CN Z425861002 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.8 CCC(C)(N)CO Z734150850 [0,1,0,0,0,0|3,0,0]=4 132 B6R0.8 CCC(C)(O)CC Z449374480 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.8 CCC(C)(O)CN Z419085064 [0,1,0,0,0,0|3,0,0]=4 134 B6R0.8 CNC(C)(C)C#N Z56347264 [0,1,0,0,0,0|3,0,0]=4 135 B6R0.8 CNC(C)(C)CN Z1511495256 [0,1,0,0,0,0|3,0,0]=4 136 B6R0.8 CNC(C)(C)CO Z425727892 [0,1,0,0,0,0|3,0,0]=4 137 B6R0.8 COC(C)(C)CN Z1266933932 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.8 COC(C)(C)CO Z1255430497 [0,1,0,0,0,0|2,0,0]=3 139 B6R0.8 COP(=O)([S-])OC Z3670332895 [0,1,0,0,0,0|2,0,0]=3 140 B6R0.8 COS(=O)(=O)OC Z104473216 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.8 CSC(C)(C)C#N Z1258769726 [0,1,0,0,0,0|2,1,0]=4 142 B6R0.8 CSC(C)(C)CN Z1203639115 [0,1,0,0,0,0|2,1,0]=4 143 B6R0.9 C#CC(CC)CN Z5851994475 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.9 C/N=C(/NC)\SC Z107728778 [0,1,0,0,0,0|1,1,1]=4 145 B6R0.9 CCC(C#N)NC Z2472860014 [0,1,0,0,0,0|2,0,1]=4 146 B6R0.9 CCC(C#N)OC Z851010100 [0,1,0,0,0,0|1,0,1]=3 147 B6R0.9 CCC(CC)NC Z1262254286 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.9 CCC(CN)OC Z2168541798 [0,1,0,0,0,0|1,0,0]=2 149 B6R0.9 CCC(CO)CO Z1198261463 [0,1,0,0,0,0|3,0,0]=4 150 B6R0.9 CCC(CO)OC Z1255373272 [0,1,0,0,0,0|1,0,0]=2 151 B6R0.9 CCN(CC)CC Z137796018 [0,1,0,0,0,0|3,0,0]=4 152 B6R0.9 CN=C(NC)NC Z1089996514 [0,1,0,0,0,0|2,0,1]=4 153 B6R0.9 CNC(CO)CO Z1939437574 [0,1,0,0,0,0|3,0,0]=4 154 B6R0.9 COC(C#N)OC Z1255464222 [0,1,0,0,0,0|0,0,1]=2 155 B6R1.2 CC1=NCCN1 Z204020260 [0,0,0,1,0,0|2,0,1]=4 156 B6R1.2 CC1=NCCS1 Z104480256 [0,0,0,1,0,0|1,1,1]=4 157 B6R1.2 CC1CCCN1 Z1274177652 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.2 CC1CCNC1 Z729771722 [0,0,0,1,0,0|3,0,0]=4 159 B6R1.2 NC1=NCCO1 Z336087916 [0,0,0,1,0,0|2,0,1]=4 160 B6R1.2 O=C1NCCO1 Z104474784 [0,0,0,1,0,0|2,0,1]=4 161 B6R1.2 O=C1OCCO1 Z1172235744 [0,0,0,1,0,0|1,0,1]=3 162 B6R1.4 CC1CCC1N Z2082999653 [0,0,0,1,0,0|3,0,0]=4 163 B6R1.6 CCC1CNC1 Z1203733931 [0,0,0,1,0,0|3,0,0]=4 164 B6R1.6 CNC1CCC1 Z1263820270 [0,0,0,1,0,0|2,0,0]=3 165 B6R1.6 COC1CNC1 Z1267773781 [0,0,0,1,0,0|2,0,0]=3 166 B6R1.6 N#CC1CCC1 Z406694072 [0,0,0,1,0,0|3,0,0]=4 167 B6R1.6 NCC1CCC1 Z381061564 [0,0,0,1,0,0|3,0,0]=4 168 B6R1.6 O=CC1CCC1 Z1079442452 [0,0,0,1,0,0|3,0,0]=4 169 B6R1.7 C#CC1(CC1)C Z1861999732 [0,0,0,1,0,0|2,0,1]=4 170 B6R1.7 CC1(CC1)C=O Z1263714317 [0,0,0,1,0,0|3,0,0]=4 171 B6R1.7 CC1(CC1)CN Z1335657802 [0,0,0,1,0,0|3,0,0]=4 172 B6R1.7 CC1(CO1)CCl Z1201618277 [0,0,0,1,0,0|2,0,0]=3 173 B6R1.7 CCC1(CC1)N Z2234631229 [0,0,0,1,0,0|3,0,0]=4 174 B6R1.7 CCC1(CO1)C Z1020679924 [0,0,0,1,0,0|1,0,0]=2 175 B6R1.7 CNC1(CC1)C Z2310723089 [0,0,0,1,0,0|2,0,0]=3 176 B6R1.8 CC1CC1C#N Z1079178904 [0,0,0,1,0,0|3,0,0]=4 177 B6R1.8 CC1CC1C=O Z1079442440 [0,0,0,1,0,0|3,0,0]=4 178 B6R1.8 CC1CC1CN Z415636622 [0,0,0,1,0,0|3,0,0]=4 179 B6R1.8 CC1CC1CO Z397587430 [0,0,0,1,0,0|3,0,0]=4 180 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [0,0,0,1,0,0|3,0,0]=4 181 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [0,0,0,1,0,0|3,0,0]=4 182 B6R1.12 C[C@H]1C([C@@H]1C)N Z4052355194 [0,0,0,1,0,0|3,0,0]=4 183 B6R1.12 C[C@H]1[C@H]([C@@H]1N)C Z3847494912 [0,0,0,1,0,0|3,0,0]=4 184 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|1,0,1]=4 185 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|2,0,0]=4 186 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|2,0,0]=4 187 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|0,0,2]=4 188 B5R0.1 C#CCC(C)O Z969111576 [1,1,0,0,0,0|1,0,1]=4 189 B5R0.1 CC(=CCN)C Z1827897919 [1,1,0,0,0,0|1,0,1]=4 190 B5R0.1 CC(C)CC#N Z104473272 [1,1,0,0,0,0|1,0,1]=4 191 B5R0.1 CC(C)CCO Z104473558 [1,1,0,0,0,0|1,0,0]=3 192 B5R0.1 CC(C)N=C=S Z56964589 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.1 CC(C)NC=O Z1201617634 [1,1,0,0,0,0|1,0,1]=4 194 B5R0.1 CC(N)CCO Z385458430 [1,1,0,0,0,0|2,0,0]=4 195 B5R0.1 CC(O)CC#N Z847151284 [1,1,0,0,0,0|1,0,1]=4 196 B5R0.1 CC(O)CCN Z802904114 [1,1,0,0,0,0|1,0,0]=3 197 B5R0.1 CC(O)CCO Z104473530 [1,1,0,0,0,0|1,0,0]=3 198 B5R0.1 CCCC(C)N Z2417819590 [1,1,0,0,0,0|2,0,0]=4 199 B5R0.1 CN(C)CCF Z5487577684 [1,1,0,0,0,0|2,0,0]=4 200 B5R0.1 CN(C)CCO Z104473552 [1,1,0,0,0,0|2,0,0]=4 201 B5R0.1 CN(C)CCS Z362025514 [1,1,0,0,0,0|2,0,0]=4 202 B5R0.1 CNCC(C)C Z951367674 [1,1,0,0,0,0|1,0,0]=3 203 B5R0.1 CNCC(C)N Z1413780485 [1,1,0,0,0,0|2,0,0]=4 204 B5R0.1 CNCC(C)O Z138692700 [1,1,0,0,0,0|1,0,0]=3 205 B5R0.1 COCC(=O)O Z104477404 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.1 COCC(C)O Z825742124 [1,1,0,0,0,0|0,0,0]=2 207 B5R0.1 COC[C@@H](C)N Z1270482298 [1,1,0,0,0,0|1,0,0]=3 208 B5R0.1 COC[C@H](C)N Z1270502316 [1,1,0,0,0,0|1,0,0]=3 209 B5R0.1 CSCC(C)O Z732208306 [1,1,0,0,0,0|0,1,0]=3 210 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,1,0,0,0,0|2,0,0]=4 211 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,1,0,0,0,0|1,0,0]=3 212 B5R0.4 C#CC(C)(C)O Z1245735173 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.4 C=CC(C)(C)N Z2940715337 [1,1,0,0,0,0|1,0,1]=4 214 B5R0.4 CC(C)(C)C#N Z278179882 [1,1,0,0,0,0|2,0,0]=4 215 B5R0.4 CC(C)(C)CN Z291234094 [1,1,0,0,0,0|2,0,0]=4 216 B5R0.4 CC(C)(C)CO Z397587176 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.4 CC(C)(F)C#N Z1198369138 [1,1,0,0,0,0|2,0,0]=4 218 B5R0.4 CC(C)(N)C#N Z57176535 [1,1,0,0,0,0|2,0,0]=4 219 B5R0.4 CC(C)(N)CN Z1266854946 [1,1,0,0,0,0|2,0,0]=4 220 B5R0.4 CC(C)(O)C#N Z104473082 [1,1,0,0,0,0|2,0,0]=4 221 B5R0.4 CC(C)(O)CO Z600454414 [1,1,0,0,0,0|2,0,0]=4 222 B5R0.4 CCC(C)(C)N Z104480062 [1,1,0,0,0,0|1,0,0]=3 223 B5R0.4 CCC(C)(C)O Z104473496 [1,1,0,0,0,0|1,0,0]=3 224 B5R0.4 COS(=O)(=O)C Z133684226 [1,1,0,0,0,0|1,0,1]=4 225 B5R0.5 CC(=N)N(C)C Z1428159819 [1,1,0,0,0,0|2,0,0]=4 226 B5R0.5 CC(=O)C(C)N Z1263529525 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.5 CC(C)C(=N)N Z381357616 [1,1,0,0,0,0|2,0,0]=4 228 B5R0.5 CC(C)C(=O)N Z57046209 [1,1,0,0,0,0|2,0,0]=4 229 B5R0.5 CC(C)C(=O)O Z104473380 [1,1,0,0,0,0|2,0,0]=4 230 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,1,0,0,0,0|2,0,0]=4 231 B5R0.5 CC(N)C(C)N Z2335631664 [1,1,0,0,0,0|2,0,0]=4 232 B5R0.5 CC(O)C(=N)N Z2216711526 [1,1,0,0,0,0|2,0,0]=4 233 B5R0.5 CC(O)C(=O)N Z57206008 [1,1,0,0,0,0|2,0,0]=4 234 B5R0.5 CC(O)C(C)O Z104473532 [1,1,0,0,0,0|1,0,0]=3 235 B5R0.2 C/C=C/OCC Z281777810 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.2 CC#CCNC Z2679312432 [1,1,0,0,0,0|2,0,0]=4 237 B5R0.2 CCCCCN Z104472246 [1,1,0,0,0,0|2,0,0]=4 238 B5R0.2 CCCNCC Z138446288 [1,1,0,0,0,0|2,0,0]=4 239 B5R0.2 CCNOCC Z223690220 [1,1,0,0,0,0|2,0,0]=4 240 B5R0.2 CCOCC#N Z295205412 [1,1,0,0,0,0|2,0,0]=4 241 B5R0.2 CCOCCN Z271005962 [1,1,0,0,0,0|2,0,0]=4 242 B5R0.2 CCOCCO Z104473122 [1,1,0,0,0,0|2,0,0]=4 243 B5R0.2 CNCCCO Z104756980 [1,1,0,0,0,0|2,0,0]=4 244 B5R0.2 CNCCOC Z1259162131 [1,1,0,0,0,0|1,0,0]=3 245 B5R0.2 CNCCSC Z1398461959 [1,1,0,0,0,0|1,1,0]=4 246 B5R0.2 COCCC#N Z277467992 [1,1,0,0,0,0|1,0,1]=4 247 B5R0.2 COCCCO Z431517702 [1,1,0,0,0,0|1,0,0]=3 248 B5R0.2 COCCOC Z104473014 [1,1,0,0,0,0|0,0,0]=2 249 B7R0.2 CCC(C)CC(C)N Z2472857681 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.2 COC(C)CC(=O)O Z431536426 [0,2,0,0,0,0|1,0,1]=4 251 B7R0.3 CCC(C)NCCO Z335251014 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.3 CCC(N)CCOC Z818738108 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.3 CCCCC(C)NC Z446022384 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.3 CCNCC(C)CC Z335456758 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.3 CCSCC(C)NC Z1238713281 [0,2,0,0,0,0|1,1,0]=4 256 B7R0.3 COCCC(C)CN Z879061310 [0,2,0,0,0,0|2,0,0]=4 257 B7R0.5 CC(C)C(C)CCN Z4760484132 [0,2,0,0,0,0|2,0,0]=4 258 B7R0.5 CC(CCN)S(=O)C Z1431460424 [0,2,0,0,0,0|1,1,0]=4 259 B7R0.5 CCCC(C)C(C)N Z2737299926 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.5 CCNC(C)C(C)C Z910842872 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.5 CCOC(C)C(=N)N Z1268703736 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,2,0,0,0,0|2,0,0]=4 263 B7R0.5 CNCC(C)C(C)C Z3894049929 [0,2,0,0,0,0|2,0,0]=4 264 B7R0.5 COCC(C)C(=O)O Z431541094 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.5 COCC(N)C(C)C Z825742262 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.7 CCCC(C)CCN Z2768767726 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.7 CCCC(C)CNC Z3214687920 [0,2,0,0,0,0|2,0,0]=4 268 B7R0.7 CCNC(C)COC Z1245537976 [0,2,0,0,0,0|1,0,0]=3 269 B7R0.7 CCOC(=O)OCC Z104482516 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.7 CCOC(C)OCC Z104476998 [0,2,0,0,0,0|0,0,0]=2 271 B7R0.7 CNCC(C)COC Z905006554 [0,2,0,0,0,0|1,0,0]=3 272 B7R0.7 CNCC(O)COC Z406679976 [0,2,0,0,0,0|2,0,0]=4 273 B7R0.7 COCC(N)CCO Z1238548168 [0,2,0,0,0,0|2,0,0]=4 274 B7R0.7 COCC(O)CCN Z1182310348 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,2,0,0,0,0|1,0,0]=3 276 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.10 CCC(C)C(N)CO Z1255523308 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,2,0,0,0,0|2,0,0]=4 279 B7R0.10 CCC(C)C(O)CN Z802901690 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.10 CNC(=N)C(C)OC Z2759956061 [0,2,0,0,0,0|1,0,0]=3 281 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.10 COC(=O)C(C)SC Z821313006 [0,2,0,0,0,0|0,1,0]=3 283 B7R0.11 CCC(C)(C)CCN Z2724442932 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.11 CCC(C)(C)CCO Z1198160090 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.11 CCC(C)(N)COC Z4185518785 [0,2,0,0,0,0|1,0,0]=3 286 B7R0.11 CCOC(C)(C)CO Z1251352968 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.11 CNC(C)(C)COC Z1093758072 [0,2,0,0,0,0|1,0,0]=3 288 B7R0.11 CNCC(C)(C)NC Z4308916979 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.11 COC(C)(C)CCN Z2739025483 [0,2,0,0,0,0|1,0,0]=3 290 B7R0.11 COCC(C)(C)C#N Z1255429538 [0,2,0,0,0,0|2,0,0]=4 291 B7R0.11 COCC(C)(C)CN Z2188171555 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.11 COCC(C)(C)CO Z1198238137 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.11 COCC(C)(N)C#N Z898336310 [0,2,0,0,0,0|2,0,0]=4 294 B7R0.11 COCC(C)(N)CN Z992447310 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.11 COCC(C)(N)CO Z992449368 [0,2,0,0,0,0|2,0,0]=4 296 B7R0.11 COCC(C)(O)CN Z992449016 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.12 CCC(CC)CCO Z1198174469 [0,2,0,0,0,0|2,0,0]=4 298 B7R0.12 CCCC(CO)OC Z2050356185 [0,2,0,0,0,0|1,0,0]=3 299 B7R0.12 CCNC(CC)CC Z2130642482 [0,2,0,0,0,0|2,0,0]=4 300 B7R0.12 COCC(C#N)OC Z1416162543 [0,2,0,0,0,0|0,0,1]=3 301 B7R0.12 COCC(CN)OC Z1820007612 [0,2,0,0,0,0|0,0,0]=2 302 B7R0.13 CCC(C)(C)C(C)C Z1198148974 [0,2,0,0,0,0|2,0,0]=4 303 B7R0.13 CCC(C)(C)C(C)N Z1509089498 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.13 COC(C)(C)C(=O)C Z1216835214 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,2,0,0,0,0|2,0,0]=4 306 B7R0.13 COC(C)(C)C(C)N Z2831701922 [0,2,0,0,0,0|1,0,0]=3 307 B7R0.14 CNC(C)C(C)(C)C Z335451384 [0,2,0,0,0,0|2,0,0]=4 308 B7R0.15 CCC(CC)C(C)N Z728804288 [0,2,0,0,0,0|2,0,0]=4 309 B7R0.15 CCC(CN)C(C)C Z608350088 [0,2,0,0,0,0|2,0,0]=4 310 B7R0.15 CCC(CN)N(C)C Z367678736 [0,2,0,0,0,0|2,0,0]=4 311 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,2,0,0,0,0|1,0,1]=4 312 B7R0.15 CCN(OC)C(=O)C Z1689168852 [0,2,0,0,0,0|2,0,0]=4 313 B7R0.15 COC(C#N)C(C)C Z1270206972 [0,2,0,0,0,0|1,0,1]=4 314 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,2,0,0,0,0|2,0,0]=4 315 B7R0.15 COC(CN)C(C)C Z2310718859 [0,2,0,0,0,0|1,0,0]=3 316 B7R0.15 COC(CO)C(C)C Z1898597061 [0,2,0,0,0,0|1,0,0]=3 317 B7R0.15 COC(OC)C(=O)N Z56754520 [0,2,0,0,0,0|0,0,1]=3 318 B7R0.15 COC(OC)C(C)N Z1079182758 [0,2,0,0,0,0|0,0,0]=2 319 B7R0.15 COC(OC)C(C)O Z1167044501 [0,2,0,0,0,0|0,0,0]=2 320 B7R0.15 CSC(CO)C(C)N Z1238540891 [0,2,0,0,0,0|1,1,0]=4 321 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,2,0,0,0,0|2,0,0]=4 322 B7R0.18 CCC(C)(C#N)CC Z1201618418 [0,2,0,0,0,0|2,0,0]=4 323 B7R0.18 CCC(C)(C#N)OC Z1270207053 [0,2,0,0,0,0|1,0,0]=3 324 B7R0.18 CCC(C)(CC)CN Z2941505587 [0,2,0,0,0,0|2,0,0]=4 325 B7R0.18 CCC(N)(CC)CO Z734151048 [0,2,0,0,0,0|2,0,0]=4 326 B7R0.18 CCC(O)(CC)CC Z449374516 [0,2,0,0,0,0|2,0,0]=4 327 B7R0.18 CCC(O)(CC)CN Z419084794 [0,2,0,0,0,0|2,0,0]=4 328 B5R1.2 NC1CCC1 Z1266823158 [1,0,0,1,0,0|2,0,0]=4 329 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|0,0,2]=4 330 B5R1.2 OC1CNC1 Z1012638850 [1,0,0,1,0,0|2,0,0]=4 331 B5R1.2 OC1COC1 Z1123686553 [1,0,0,1,0,0|2,0,0]=4 332 B5R1.3 CNC1CC1 Z138412880 [1,0,0,1,0,0|1,0,0]=3 333 B5R1.3 ClCC1CO1 Z104473190 [1,0,0,1,0,0|2,0,0]=4 334 B5R1.3 N#CC1CC1 Z247612572 [1,0,0,1,0,0|2,0,0]=4 335 B5R1.3 OCC1CC1 Z104479000 [1,0,0,1,0,0|2,0,0]=4 336 B5R1.3 OCC1CO1 Z104476180 [1,0,0,1,0,0|2,0,0]=4 337 B5R1.3 OC[C@@H]1CO1 Z1222330631 [1,0,0,1,0,0|2,0,0]=4 338 B5R1.3 OC[C@H]1CO1 Z1222330633 [1,0,0,1,0,0|2,0,0]=4 339 B5R1.4 CC1CC1N Z406520774 [1,0,0,1,0,0|2,0,0]=4 340 B5R1.4 C[C@@H]1C[C@H]1N Z993905302 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.1 BrCC1CCCO1 Z90660999 [0,1,0,1,0,0|1,0,0]=3 342 B7R1.1 CCC1CCCN1 Z281773802 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.1 CCC1CCNC1 Z1407004100 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.1 CNC1CCCC1 Z102766802 [0,1,0,1,0,0|2,0,0]=4 345 B7R1.1 CNC1CCOC1 Z1079260566 [0,1,0,1,0,0|1,0,0]=3 346 B7R1.1 CNC1CCSC1 Z102767000 [0,1,0,1,0,0|1,1,0]=4 347 B7R1.1 COC1=NCCC1 Z147641734 [0,1,0,1,0,0|1,0,1]=4 348 B7R1.1 CO[C@@H]1CCNC1 Z1335657682 [0,1,0,1,0,0|1,0,0]=3 349 B7R1.1 CO[C@H]1CCNC1 Z1335657810 [0,1,0,1,0,0|1,0,0]=3 350 B7R1.1 ClCC1CCCO1 Z56893271 [0,1,0,1,0,0|1,0,0]=3 351 B7R1.1 FCC1CCCN1 Z2216711551 [0,1,0,1,0,0|2,0,0]=4 352 B7R1.1 N#CC1CCCO1 Z1079178976 [0,1,0,1,0,0|1,0,1]=4 353 B7R1.1 N#CC1CCOC1 Z605647006 [0,1,0,1,0,0|2,0,0]=4 354 B7R1.1 NCC1CCCC1 Z367452206 [0,1,0,1,0,0|2,0,0]=4 355 B7R1.1 NCC1CCCS1 Z1201677924 [0,1,0,1,0,0|1,1,0]=4 356 B7R1.1 NCC1COCO1 Z2298138033 [0,1,0,1,0,0|2,0,0]=4 357 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [0,1,0,1,0,0|2,0,0]=4 358 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [0,1,0,1,0,0|2,0,0]=4 359 B7R1.1 O=CC1CCOC1 Z199056102 [0,1,0,1,0,0|2,0,0]=4 360 B7R1.1 OCC1CCCC1 Z397587414 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.1 OCC1CCCN1 Z825308062 [0,1,0,1,0,0|2,0,0]=4 362 B7R1.1 OCC1CCCS1 Z1201679857 [0,1,0,1,0,0|1,1,0]=4 363 B7R1.1 OCC1CCOC1 Z335245192 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.2 CC1CC(CN1)O Z1201051000 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.2 CC1CC(CO1)N Z2418414350 [0,1,0,1,0,0|1,0,0]=3 367 B7R1.2 CC1CC(CS1)N Z1203639702 [0,1,0,1,0,0|1,1,0]=4 368 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,1,0,1,0,0|1,0,1]=4 369 B7R1.2 CC1CCC(C1)O Z1233224917 [0,1,0,1,0,0|2,0,0]=4 370 B7R1.2 CC1CCC(N1)C Z1413780490 [0,1,0,1,0,0|2,0,0]=4 371 B7R1.2 CC1CNC(C1)C Z1250222491 [0,1,0,1,0,0|2,0,0]=4 372 B7R1.2 C[C@H]1CC[C@H](N1)C Z3244812696 [0,1,0,1,0,0|2,0,0]=4 373 B7R1.3 CC1CNCCN1 Z104480242 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.3 CC1CNCCO1 Z204013884 [0,1,0,1,0,0|1,0,0]=3 375 B7R1.3 CC1CNCCS1 Z334686272 [0,1,0,1,0,0|1,1,0]=4 376 B7R1.3 CC1COCCN1 Z336087928 [0,1,0,1,0,0|1,0,0]=3 377 B7R1.3 CC1CSCCN1 Z334686282 [0,1,0,1,0,0|1,1,0]=4 378 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [0,1,0,1,0,0|2,0,0]=4 379 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [0,1,0,1,0,0|2,0,0]=4 380 B7R1.3 NC1CCCOC1 Z1013492300 [0,1,0,1,0,0|2,0,0]=4 381 B7R1.3 OC1CNCCO1 Z1428160315 [0,1,0,1,0,0|2,0,0]=4 382 B7R1.4 CC1CCCC1=O Z813018382 [0,1,0,1,0,0|2,0,0]=4 383 B7R1.4 CC1CCCC1N Z1219738990 [0,1,0,1,0,0|2,0,0]=4 384 B7R1.4 CC1CCNC1C Z1335657674 [0,1,0,1,0,0|2,0,0]=4 385 B7R1.4 CC1CNCC1C Z1281657986 [0,1,0,1,0,0|2,0,0]=4 386 B7R1.4 CC1NCCC1=O Z2733314209 [0,1,0,1,0,0|2,0,0]=4 387 B7R1.4 CC1SCCC1N Z2408712737 [0,1,0,1,0,0|1,1,0]=4 388 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,1,0,1,0,0|2,0,0]=4 389 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,1,0,1,0,0|2,0,0]=4 390 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,1,0,1,0,0|1,0,0]=3 392 B7R1.5 CC1CC1CCN Z4888675966 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.5 CNCC1CC1C Z3752925195 [0,1,0,1,0,0|2,0,0]=4 394 B7R1.6 CCNC1CCC1 Z2144245483 [0,1,0,1,0,0|2,0,0]=4 395 B7R1.6 CNCC1CCC1 Z1692482598 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.6 COCC1CCN1 Z2213893372 [0,1,0,1,0,0|1,0,0]=3 397 B7R1.6 NCCC1CCC1 Z1405445718 [0,1,0,1,0,0|2,0,0]=4 398 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.8 CO[C@@H]1CC[C@H]1N Z2311224799 [0,1,0,1,0,0|1,0,0]=3 400 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.10 CCC1CC(C1)N Z4130021870 [0,1,0,1,0,0|2,0,0]=4 402 B7R1.10 CNC1CC(C1)O Z1318186466 [0,1,0,1,0,0|2,0,0]=4 403 B7R1.10 CSC1CC(C1)N Z2724378300 [0,1,0,1,0,0|1,1,0]=4 404 B7R1.10 CS[C@H]1C[C@H](C1)N Z5055881160 [0,1,0,1,0,0|1,1,0]=4 405 B7R1.11 C[C@H]1C([C@@H]1C)CN Z4165830246 [0,1,0,1,0,0|2,0,0]=4 406 B7R1.21 CC1(CC1)CCO Z1813155991 [0,1,0,1,0,0|2,0,0]=4 407 B7R1.21 CC1(CO1)CCO Z1486026620 [0,1,0,1,0,0|1,0,0]=3 408 B7R1.21 CCCC1(CO1)C Z1020679916 [0,1,0,1,0,0|1,0,0]=3 409 B7R1.21 COCC1(CC1)N Z2301519229 [0,1,0,1,0,0|2,0,0]=4 410 B7R1.21 COCC1(CO1)C Z1020679792 [0,1,0,1,0,0|0,0,0]=2 411 B7R1.22 CNC(C)C1CC1 Z270730248 [0,1,0,1,0,0|2,0,0]=4 412 B7R1.25 CC1(COC1)C=O Z1198234536 [0,1,0,1,0,0|2,0,0]=4 413 B7R1.25 CCC1(CCC1)N Z1333043532 [0,1,0,1,0,0|2,0,0]=4 414 B7R1.25 CNC1(CCC1)C Z1255443634 [0,1,0,1,0,0|2,0,0]=4 415 B7R1.25 COC1(CNC1)C Z1198311233 [0,1,0,1,0,0|1,0,0]=3 416 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,1,0,1,0,0|2,0,0]=4 417 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,1,0,1,0,0|2,0,0]=4 418 B7R1.19 CC(=O)C1(CC1)C Z56969338 [0,1,0,1,0,0|2,0,0]=4 419 B7R1.19 CC(=O)C1(CO1)C Z1201620091 [0,1,0,1,0,0|1,0,0]=3 420 B7R1.19 CC(C)C1(CO1)C Z1020679970 [0,1,0,1,0,0|1,0,0]=3 421 B7R1.23 CNC1CC1(C)C Z1895742049 [0,1,0,1,0,0|2,0,0]=4 422 B7R1.14 CC1(CCCC1)O Z449370856 [0,1,0,1,0,0|2,0,0]=4 423 B7R1.14 CC1(CCCN1)C Z1259335892 [0,1,0,1,0,0|2,0,0]=4 424 B7R1.29 CCC1(CC1)CN Z1354487558 [0,1,0,1,0,0|2,0,0]=4 425 B7R1.29 CCC1(CC1)NC Z2310673213 [0,1,0,1,0,0|2,0,0]=4 426 B7R1.29 CCC1(CO1)CC Z1020679898 [0,1,0,1,0,0|1,0,0]=3 427 B7R1.29 CNC1(CC1)CO Z2065788496 [0,1,0,1,0,0|2,0,0]=4 428 B7R1.29 COC1(CC1)C=O Z1511825466 [0,1,0,1,0,0|1,0,1]=4 429 B7R1.29 COC1(CC1)CN Z3681227829 [0,1,0,1,0,0|1,0,0]=3 430 B7R1.29 CSC1(CC1)CN Z1258769800 [0,1,0,1,0,0|1,1,0]=4 431 B7R1.29 ClCC1(CO1)CCl Z1205657482 [0,1,0,1,0,0|2,0,0]=4 432 B7R2.11 C1NC2CC1C2 Z3074473459 [0,0,0,2,0,0|2,0,0]=4 433 B7R2.13 C1CC2CC2N1 Z1964347529 [0,0,0,2,0,0|2,0,0]=4 434 B7R2.16 C1CC2(C1)CO2 Z1198320605 [0,0,0,2,0,0|1,0,0]=3