0 B6R1.2 C=C1CCNC1 Z3019986853 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.2 C=C1CNOC1 Z3037884222 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 CC1=CCNC1 Z1203734447 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 CC1=NCCN1 Z204020260 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 CC1=NCCS1 Z104480256 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 CC1CCCN1 Z1274177652 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 CC1CCNC1 Z729771722 [0,0,0,0,0,0|2,0,1]=3 7 B6R1.2 CC1CNNC1 Z4953319766 [0,0,0,0,0,0|3,0,1]=4 8 B6R1.2 FC1CCNC1 Z1139751347 [0,0,0,0,0,0|2,0,1]=3 9 B6R1.2 N=C1CCCN1 Z204007506 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 NC1=NCCO1 Z336087916 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 NC1=NNCC1 Z1569708704 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 NC1C=CCC1 Z2679312470 [0,0,0,0,0,0|1,0,3]=4 13 B6R1.2 NC1CC=CC1 Z1416200863 [0,0,0,0,0,0|1,0,3]=4 14 B6R1.2 NC1CCOC1 Z802544198 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.2 NC1CCSC1 Z1267885911 [0,0,0,0,0,0|2,0,1]=3 16 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [0,0,0,0,0,0|1,0,3]=4 17 B6R1.2 O=C1C=CCO1 Z1219048777 [0,0,0,0,0,0|1,0,2]=3 18 B6R1.2 O=C1C=CNN1 Z1198154338 [0,0,0,0,0,0|2,0,2]=4 19 B6R1.2 O=C1C=CSN1 Z1741980421 [0,0,0,0,0,0|2,0,2]=4 20 B6R1.2 O=C1CCCN1 Z104472846 [0,0,0,0,0,0|1,0,0]=1 21 B6R1.2 O=C1CCNC1 Z1741976513 [0,0,0,0,0,0|1,0,0]=1 22 B6R1.2 O=C1CCNN1 Z2935001239 [0,0,0,0,0,0|2,0,0]=2 23 B6R1.2 O=C1CCSC1 Z104495638 [0,0,0,0,0,0|1,0,0]=1 24 B6R1.2 O=C1NC=CN1 Z1198148260 [0,0,0,0,0,0|2,0,2]=4 25 B6R1.2 O=C1NC=CS1 Z445210514 [0,0,0,0,0,0|2,0,2]=4 26 B6R1.2 O=C1NCCN1 Z104494954 [0,0,0,0,0,0|2,0,0]=2 27 B6R1.2 O=C1NCCO1 Z104474784 [0,0,0,0,0,0|2,0,0]=2 28 B6R1.2 O=C1NCCS1 Z55928860 [0,0,0,0,0,0|2,0,0]=2 29 B6R1.2 O=C1OCCO1 Z1172235744 [0,0,0,0,0,0|2,0,0]=2 30 B6R1.2 O=S1CCCC1 Z278052312 [0,0,0,0,0,0|1,0,0]=1 31 B6R1.2 OC1C=CCC1 Z1255485846 [0,0,0,0,0,0|0,0,4]=4 32 B6R1.2 OC1CCOC1 Z1124541349 [0,0,0,0,0,0|1,0,2]=3 33 B6R1.2 OC1CCSC1 Z335244836 [0,0,0,0,0,0|1,0,2]=3 34 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,0,0,0,0,0|1,0,2]=3 35 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,0,0,0,0,0|1,0,2]=3 36 B6R1.2 SC1=NCCN1 Z104497392 [0,0,0,0,0,0|2,1,0]=3 37 B5R1.1 C1=CCNC1 Z2306624771 [1,0,0,0,0,0|1,0,1]=3 38 B7R1.1 BrCC1CCCO1 Z90660999 [0,1,0,0,0,0|2,0,1]=4 39 B7R1.1 C#CC1CCCN1 Z1203832764 [0,1,0,0,0,0|2,0,1]=4 40 B7R1.1 CCC1CCCN1 Z281773802 [0,1,0,0,0,0|2,0,1]=4 41 B7R1.1 CCC1CCNC1 Z1407004100 [0,1,0,0,0,0|2,0,1]=4 42 B7R1.1 CNC1=NCCN1 Z3072981652 [0,1,0,0,0,0|3,0,0]=4 43 B7R1.1 CNC1=NCCS1 Z744843656 [0,1,0,0,0,0|3,0,0]=4 44 B7R1.1 CNC1CCCC1 Z102766802 [0,1,0,0,0,0|1,0,1]=3 45 B7R1.1 CNC1CCOC1 Z1079260566 [0,1,0,0,0,0|2,0,1]=4 46 B7R1.1 CNC1CCSC1 Z102767000 [0,1,0,0,0,0|2,0,1]=4 47 B7R1.1 COC1=NCCC1 Z147641734 [0,1,0,0,0,0|1,0,1]=3 48 B7R1.1 CO[C@@H]1CCNC1 Z1335657682 [0,1,0,0,0,0|1,0,2]=4 49 B7R1.1 CO[C@H]1CCNC1 Z1335657810 [0,1,0,0,0,0|1,0,2]=4 50 B7R1.1 CSC1=NCCN1 Z56790627 [0,1,0,0,0,0|2,1,0]=4 51 B7R1.1 ClCC1CCCO1 Z56893271 [0,1,0,0,0,0|2,0,1]=4 52 B7R1.1 FCC1CCCN1 Z2216711551 [0,1,0,0,0,0|2,0,1]=4 53 B7R1.1 N#CC1CCCC1 Z285131394 [0,1,0,0,0,0|1,0,1]=3 54 B7R1.1 N#CC1CCCO1 Z1079178976 [0,1,0,0,0,0|2,0,1]=4 55 B7R1.1 N#CC1CCCS1 Z1201681638 [0,1,0,0,0,0|2,0,1]=4 56 B7R1.1 N#CC1CCNC1 Z2679312473 [0,1,0,0,0,0|2,0,1]=4 57 B7R1.1 N#CC1CCOC1 Z605647006 [0,1,0,0,0,0|2,0,1]=4 58 B7R1.1 NCC1=NCCN1 Z2714784585 [0,1,0,0,0,0|3,0,0]=4 59 B7R1.1 NCC1=NOCC1 Z3217343112 [0,1,0,0,0,0|3,0,0]=4 60 B7R1.1 NCC1CCCC1 Z367452206 [0,1,0,0,0,0|1,0,1]=3 61 B7R1.1 NCC1CCCS1 Z1201677924 [0,1,0,0,0,0|2,0,1]=4 62 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [0,1,0,0,0,0|2,0,1]=4 63 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [0,1,0,0,0,0|2,0,1]=4 64 B7R1.1 NNC1CCCC1 Z285139110 [0,1,0,0,0,0|1,0,1]=3 65 B7R1.1 O=CC1=CCCC1 Z1190318866 [0,1,0,0,0,0|0,0,1]=2 66 B7R1.1 O=CC1=CCSC1 Z57981092 [0,1,0,0,0,0|1,0,1]=3 67 B7R1.1 O=CC1CC=CC1 Z1504676872 [0,1,0,0,0,0|0,0,3]=4 68 B7R1.1 O=CC1CCCC1 Z875036058 [0,1,0,0,0,0|0,0,1]=2 69 B7R1.1 O=CC1CCOC1 Z199056102 [0,1,0,0,0,0|1,0,1]=3 70 B7R1.1 O=CC1CCSC1 Z1201681645 [0,1,0,0,0,0|1,0,1]=3 71 B7R1.1 O=CN1CCCC1 Z1255394997 [0,1,0,0,0,0|1,0,0]=2 72 B7R1.1 O=NN1CCOC1 Z1198157988 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.1 OCC1CCCC1 Z397587414 [0,1,0,0,0,0|0,0,2]=3 74 B7R1.1 OCC1CCCN1 Z825308062 [0,1,0,0,0,0|1,0,2]=4 75 B7R1.1 OCC1CCCS1 Z1201679857 [0,1,0,0,0,0|1,0,2]=4 76 B7R1.1 OCC1CCNC1 Z976722188 [0,1,0,0,0,0|1,0,2]=4 77 B7R1.1 OCC1CCOC1 Z335245192 [0,1,0,0,0,0|1,0,2]=4 78 B7R1.1 OCC1CCSC1 Z1201679855 [0,1,0,0,0,0|1,0,2]=4 79 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [0,1,0,0,0,0|1,0,2]=4 80 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,1,0,0,0,0|2,0,1]=4 81 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,1,0,0,0,0|1,0,0]=2 82 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,1,0,0,0,0|2,0,0]=3 83 B7R1.2 CC1CC(CN1)O Z1201051000 [0,1,0,0,0,0|1,0,2]=4 84 B7R1.2 CC1CC(CO1)N Z2418414350 [0,1,0,0,0,0|2,0,1]=4 85 B7R1.2 CC1CC(CS1)N Z1203639702 [0,1,0,0,0,0|2,0,1]=4 86 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,1,0,0,0,0|1,0,0]=2 87 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,1,0,0,0,0|1,0,0]=2 88 B7R1.2 CC1CCC(C1)O Z1233224917 [0,1,0,0,0,0|0,0,2]=3 89 B7R1.2 CC1CCC(N1)C Z1413780490 [0,1,0,0,0,0|2,0,1]=4 90 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,1,0,0,0,0|3,0,0]=4 91 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,1,0,0,0,0|3,0,0]=4 92 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,1,0,0,0,0|2,0,0]=3 93 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,1,0,0,0,0|1,0,0]=2 94 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,1,0,0,0,0|2,0,0]=3 95 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,1,0,0,0,0|2,0,0]=3 96 B7R1.2 CC1CNC(C1)C Z1250222491 [0,1,0,0,0,0|2,0,1]=4 97 B7R1.2 CN1CCC(=N1)N Z1582262999 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,1,0,0,0,0|1,0,0]=2 99 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,1,0,0,0,0|2,0,0]=3 100 B7R1.2 C[C@H]1CC[C@H](N1)C Z3244812696 [0,1,0,0,0,0|2,0,1]=4 101 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,1,0,0,0,0|0,0,2]=3 102 B7R1.2 NC1=CCC(=O)N1 Z1203591710 [0,1,0,0,0,0|1,0,2]=4 103 B7R1.2 NC1=NC(=O)CS1 Z57104428 [0,1,0,0,0,0|2,0,1]=4 104 B7R1.2 NC1=NCC(=O)N1 Z203038534 [0,1,0,0,0,0|2,0,1]=4 105 B7R1.2 NC1CCS(=O)C1 Z1267860904 [0,1,0,0,0,0|1,0,0]=2 106 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,1,0,0,0,0|1,0,0]=2 107 B7R1.2 N[C@H]1CC[C@H](C1)N Z2752749810 [0,1,0,0,0,0|1,0,1]=3 108 B7R1.2 O=C1C=CC(=O)C1 Z1083219844 [0,1,0,0,0,0|0,0,3]=4 109 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [0,1,0,0,0,0|2,0,1]=4 110 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,1,0,0,0,0|1,0,0]=2 111 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,1,0,0,0,0|1,0,1]=3 112 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,1,0,0,0,0|1,0,1]=3 113 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,1,0,0,0,0|2,0,1]=4 114 B7R1.2 O=C1CNC(=S)N1 Z56900799 [0,1,0,0,0,0|2,0,1]=4 115 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,1,0,0,0,0|2,0,1]=4 116 B7R1.2 O=C1CSC(=O)N1 Z57131032 [0,1,0,0,0,0|2,0,1]=4 117 B7R1.2 O=C1CSC(=S)N1 Z57127468 [0,1,0,0,0,0|2,0,1]=4 118 B7R1.4 C=C1CCOC1=O Z1255438435 [0,1,0,0,0,0|1,0,1]=3 119 B7R1.4 C=C1COCC1N Z3066568668 [0,1,0,0,0,0|2,0,0]=3 120 B7R1.4 CC1=C(CNC1)C Z1203817906 [0,1,0,0,0,0|2,0,1]=4 121 B7R1.4 CC1CCCC1=O Z813018382 [0,1,0,0,0,0|0,0,0]=1 122 B7R1.4 CC1CCCC1N Z1219738990 [0,1,0,0,0,0|1,0,1]=3 123 B7R1.4 CC1CCNC1=O Z1198147219 [0,1,0,0,0,0|1,0,0]=2 124 B7R1.4 CC1CCNC1C Z1335657674 [0,1,0,0,0,0|2,0,1]=4 125 B7R1.4 CC1CNCC1C Z1281657986 [0,1,0,0,0,0|2,0,1]=4 126 B7R1.4 CC1NCCC1=O Z2733314209 [0,1,0,0,0,0|1,0,0]=2 127 B7R1.4 CC1SCCC1N Z2408712737 [0,1,0,0,0,0|2,0,1]=4 128 B7R1.4 CN1CCCC1=O Z104478382 [0,1,0,0,0,0|1,0,0]=2 129 B7R1.4 CN1CCNC1=O Z336079928 [0,1,0,0,0,0|2,0,0]=3 130 B7R1.4 CN1CCSC1=N Z3242405392 [0,1,0,0,0,0|3,0,0]=4 131 B7R1.4 CN1CNCC1=O Z1601562352 [0,1,0,0,0,0|2,0,0]=3 132 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,1,0,0,0,0|1,0,1]=3 133 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,1,0,0,0,0|1,0,1]=3 134 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [0,1,0,0,0,0|1,0,2]=4 135 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,1,0,0,0,0|1,0,2]=4 136 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,1,0,0,0,0|2,0,1]=4 137 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,0,0,0|1,0,0]=2 138 B7R1.4 NC1CCSC1=O Z56922158 [0,1,0,0,0,0|1,0,0]=2 139 B7R1.4 NC1CONC1=O Z336087816 [0,1,0,0,0,0|2,0,0]=3 140 B7R1.4 NN1CCOC1=O Z1198147716 [0,1,0,0,0,0|2,0,0]=3 141 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,1,0,0,0,0|0,0,2]=3 142 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [0,1,0,0,0,0|1,0,1]=3 143 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,1,0,0,0,0|0,0,2]=3 144 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,1,0,0,0,0|1,0,0]=2 145 B7R1.4 N[C@@H]1COC[C@@H]1F Z2756848808 [0,1,0,0,0,0|2,0,1]=4 146 B7R1.4 N[C@@H]1COC[C@H]1F Z4185697479 [0,1,0,0,0,0|2,0,1]=4 147 B7R1.4 N[C@@H]1COC[C@H]1N Z2306914123 [0,1,0,0,0,0|2,0,1]=4 148 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,1,0,0,0,0|2,0,0]=3 149 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [0,1,0,0,0,0|1,0,2]=4 150 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,1,0,0,0,0|0,0,2]=3 151 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,1,0,0,0,0|1,0,0]=2 152 B7R1.4 N[C@H]1CNC[C@H]1N Z4670285097 [0,1,0,0,0,0|2,0,1]=4 153 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,1,0,0,0,0|2,0,0]=3 154 B7R1.4 O=C1CCCC1Cl Z104492966 [0,1,0,0,0,0|0,0,0]=1 155 B7R1.4 O=C1NCCC1F Z1203745843 [0,1,0,0,0,0|1,0,0]=2 156 B7R1.4 OC1CCCC1O Z600452564 [0,1,0,0,0,0|0,0,2]=3 157 B7R1.4 OC1CNCC1O Z1147229592 [0,1,0,0,0,0|1,0,2]=4 158 B7R1.4 O[C@@H]1CNC[C@H]1F Z2307368320 [0,1,0,0,0,0|1,0,2]=4 159 B7R1.4 O[C@@H]1CNC[C@H]1O Z2309778206 [0,1,0,0,0,0|1,0,2]=4 160 B7R1.4 O[C@H]1CNC[C@H]1O Z1318268689 [0,1,0,0,0,0|1,0,2]=4 161 B7R1.14 CC1(CCCC1)O Z449370856 [0,1,0,0,0,0|0,0,2]=3 162 B7R1.14 CC1(CCCN1)C Z1259335892 [0,1,0,0,0,0|2,0,1]=4 163 B7R1.14 CC1(CCNC1)C Z1270207926 [0,1,0,0,0,0|2,0,1]=4 164 B7R1.14 CC1(CCNC1)O Z1139194384 [0,1,0,0,0,0|1,0,2]=4 165 B7R1.14 CC1(CCOC1)N Z1895741238 [0,1,0,0,0,0|2,0,1]=4 166 B7R1.14 CC1(CCSC1)N Z4990294346 [0,1,0,0,0,0|2,0,1]=4 167 B7R1.14 CC1(CCSC1)O Z1359841674 [0,1,0,0,0,0|1,0,2]=4 168 B7R1.14 N=S1(=O)CCCC1 Z1862022759 [0,1,0,0,0,0|1,0,0]=2 169 B7R1.14 O=S1(=O)CC=CC1 Z57161872 [0,1,0,0,0,0|1,0,2]=4 170 B7R1.14 O=S1(=O)CCCN1 Z359508120 [0,1,0,0,0,0|2,0,0]=3 171 B5R0.1 C#CCC(=O)O Z295890060 [0,0,1,0,0,0|1,0,2]=4 172 B5R0.1 C/C=C/C(=O)O Z104476026 [0,0,1,0,0,0|1,0,2]=4 173 B5R0.1 C=C(C)CCN Z1203582475 [0,0,1,0,0,0|2,0,0]=3 174 B5R0.1 CC#CC(=O)N Z1203579284 [0,0,1,0,0,0|1,0,2]=4 175 B5R0.1 CC(=CCN)C Z1827897919 [0,0,1,0,0,0|2,0,1]=4 176 B5R0.1 CC(=O)CCO Z906206900 [0,0,1,0,0,0|1,0,0]=2 177 B5R0.1 CC(C)CCO Z104473558 [0,0,1,0,0,0|2,0,1]=4 178 B5R0.1 CC(N)CCO Z385458430 [0,0,1,0,0,0|2,0,1]=4 179 B5R0.1 CC(O)CCN Z802904114 [0,0,1,0,0,0|1,0,2]=4 180 B5R0.1 CC(O)CCO Z104473530 [0,0,1,0,0,0|1,0,2]=4 181 B5R0.1 CCCC(=N)N Z1198394172 [0,0,1,0,0,0|2,0,0]=3 182 B5R0.1 CCCC(=O)N Z33546461 [0,0,1,0,0,0|1,0,0]=2 183 B5R0.1 CCCC(=O)O Z104495380 [0,0,1,0,0,0|1,0,0]=2 184 B5R0.1 CCCC(C)N Z2417819590 [0,0,1,0,0,0|1,0,1]=3 185 B5R0.1 CCNC(=N)N Z2574931373 [0,0,1,0,0,0|3,0,0]=4 186 B5R0.1 CCOC(=N)N Z1741973543 [0,0,1,0,0,0|3,0,0]=4 187 B5R0.1 CCOC(=O)N Z33546369 [0,0,1,0,0,0|2,0,0]=3 188 B5R0.1 CCSC(=N)N Z1708092306 [0,0,1,0,0,0|3,0,0]=4 189 B5R0.1 CN(C)CCF Z5487577684 [0,0,1,0,0,0|3,0,0]=4 190 B5R0.1 CN(C)CCO Z104473552 [0,0,1,0,0,0|3,0,0]=4 191 B5R0.1 CN(C)CCS Z362025514 [0,0,1,0,0,0|3,0,0]=4 192 B5R0.1 CNCC(=O)N Z415678308 [0,0,1,0,0,0|2,0,0]=3 193 B5R0.1 CNCC(=O)O Z104480276 [0,0,1,0,0,0|2,0,0]=3 194 B5R0.1 CNCC(C)C Z951367674 [0,0,1,0,0,0|2,0,1]=4 195 B5R0.1 CNCC(C)N Z1413780485 [0,0,1,0,0,0|2,0,1]=4 196 B5R0.1 CNCC(C)O Z138692700 [0,0,1,0,0,0|1,0,2]=4 197 B5R0.1 COCC(=N)N Z1258620054 [0,0,1,0,0,0|3,0,0]=4 198 B5R0.1 COCC(=O)N Z33546778 [0,0,1,0,0,0|2,0,0]=3 199 B5R0.1 COCC(=O)O Z104477404 [0,0,1,0,0,0|2,0,0]=3 200 B5R0.1 COCC(C)O Z825742124 [0,0,1,0,0,0|1,0,2]=4 201 B5R0.1 COC[C@@H](C)N Z1270482298 [0,0,1,0,0,0|2,0,1]=4 202 B5R0.1 COC[C@H](C)N Z1270502316 [0,0,1,0,0,0|2,0,1]=4 203 B5R0.1 CS(=O)CC#N Z1198176972 [0,0,1,0,0,0|2,0,1]=4 204 B5R0.1 CS(=O)CCN Z802568576 [0,0,1,0,0,0|2,0,0]=3 205 B5R0.1 CSCC(=N)N Z1459934800 [0,0,1,0,0,0|3,0,0]=4 206 B5R0.1 CSCC(=O)N Z33545668 [0,0,1,0,0,0|2,0,0]=3 207 B5R0.1 CSCC(C)O Z732208306 [0,0,1,0,0,0|1,0,2]=4 208 B5R0.1 CSCS(=O)C Z1255438413 [0,0,1,0,0,0|2,0,0]=3 209 B5R0.1 C[C@@H](N)CCO Z1526453858 [0,0,1,0,0,0|2,0,1]=4 210 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,0,1,0,0,0|1,0,2]=4 211 B5R0.1 N#CCC(=O)N Z56896153 [0,0,1,0,0,0|2,0,1]=4 212 B5R0.1 N#CCC(=O)O Z104476112 [0,0,1,0,0,0|2,0,1]=4 213 B5R0.1 N=C(N)CCO Z1198394167 [0,0,1,0,0,0|3,0,0]=4 214 B5R0.1 NC(=O)CCO Z431951940 [0,0,1,0,0,0|2,0,0]=3 215 B5R0.1 NCCC(=O)N Z415728050 [0,0,1,0,0,0|2,0,0]=3 216 B5R0.1 NCCC(=O)O Z57127544 [0,0,1,0,0,0|2,0,0]=3 217 B5R0.1 NOCC(=O)O Z90662171 [0,0,1,0,0,0|3,0,0]=4 218 B5R0.1 O=C(O)CCCl Z203045320 [0,0,1,0,0,0|2,0,0]=3 219 B5R0.1 O=C(O)CCS Z104474322 [0,0,1,0,0,0|2,0,0]=3 220 B5R0.1 O=C(O)CNO Z1205493750 [0,0,1,0,0,0|3,0,0]=4 221 B5R0.2 C#CCCCN Z1945700461 [0,0,1,0,0,0|2,0,1]=4 222 B5R0.2 C#CCCNC Z3270794267 [0,0,1,0,0,0|2,0,1]=4 223 B5R0.2 C#CCNCC Z815264056 [0,0,1,0,0,0|2,0,1]=4 224 B5R0.2 C/C=C/CCN Z1268152372 [0,0,1,0,0,0|2,0,1]=4 225 B5R0.2 C/C=C/OCC Z281777810 [0,0,1,0,0,0|2,0,1]=4 226 B5R0.2 C=CCCC#N Z1219746591 [0,0,1,0,0,0|2,0,1]=4 227 B5R0.2 C=CCCCN Z993058434 [0,0,1,0,0,0|2,0,0]=3 228 B5R0.2 C=CCNCC Z2044769224 [0,0,1,0,0,0|2,0,0]=3 229 B5R0.2 CCCCC=O Z104472992 [0,0,1,0,0,0|0,0,0]=1 230 B5R0.2 CCCCCN Z104472246 [0,0,1,0,0,0|1,0,1]=3 231 B5R0.2 CCCNCC Z138446288 [0,0,1,0,0,0|2,0,1]=4 232 B5R0.2 CCNCC#N Z235583784 [0,0,1,0,0,0|2,0,1]=4 233 B5R0.2 CCNCCF Z1198305484 [0,0,1,0,0,0|2,0,1]=4 234 B5R0.2 CCNCCO Z1258992395 [0,0,1,0,0,0|1,0,2]=4 235 B5R0.2 CCOCC#N Z295205412 [0,0,1,0,0,0|2,0,1]=4 236 B5R0.2 CCOCCN Z271005962 [0,0,1,0,0,0|2,0,1]=4 237 B5R0.2 CCOCCO Z104473122 [0,0,1,0,0,0|1,0,2]=4 238 B5R0.2 CCSCCN Z3061111063 [0,0,1,0,0,0|2,0,1]=4 239 B5R0.2 CNCCCO Z104756980 [0,0,1,0,0,0|1,0,2]=4 240 B5R0.2 CNCCOC Z1259162131 [0,0,1,0,0,0|3,0,0]=4 241 B5R0.2 CNCCSC Z1398461959 [0,0,1,0,0,0|3,0,0]=4 242 B5R0.2 COCCC#N Z277467992 [0,0,1,0,0,0|2,0,1]=4 243 B5R0.2 COCCCO Z431517702 [0,0,1,0,0,0|1,0,2]=4 244 B5R0.2 COCCOC Z104473014 [0,0,1,0,0,0|3,0,0]=4 245 B5R0.2 N#CCCCN Z1649677743 [0,0,1,0,0,0|2,0,1]=4 246 B5R0.2 N#CCCCO Z385458622 [0,0,1,0,0,0|2,0,1]=4 247 B5R0.2 NCCCCF Z2177031126 [0,0,1,0,0,0|2,0,1]=4 248 B5R0.2 NCCCCN Z104472592 [0,0,1,0,0,0|2,0,1]=4 249 B5R0.3 C/N=C(\C)/NC Z1431002714 [0,0,1,0,0,0|3,0,0]=4 250 B5R0.3 C/N=C(\N)/NC Z1089996530 [0,0,1,0,0,0|3,0,0]=4 251 B5R0.3 C/N=C(\N)/SC Z107728770 [0,0,1,0,0,0|3,0,0]=4 252 B5R0.3 C=C(CC)CN Z2238934536 [0,0,1,0,0,0|2,0,0]=3 253 B5R0.3 CC/C(=N/O)/N Z241067842 [0,0,1,0,0,0|3,0,0]=4 254 B5R0.3 CCC(=O)CC Z104476878 [0,0,1,0,0,0|0,0,0]=1 255 B5R0.3 CCC(=O)CN Z1203579016 [0,0,1,0,0,0|1,0,0]=2 256 B5R0.3 CCC(=O)NN Z56886418 [0,0,1,0,0,0|2,0,0]=3 257 B5R0.3 CCC(C)CN Z2350903977 [0,0,1,0,0,0|2,0,1]=4 258 B5R0.3 CCC(C)NC Z594038230 [0,0,1,0,0,0|2,0,1]=4 259 B5R0.3 CCC(N)CN Z1263714131 [0,0,1,0,0,0|2,0,1]=4 260 B5R0.3 CCC(N)CO Z104474862 [0,0,1,0,0,0|2,0,1]=4 261 B5R0.3 CCC(O)CN Z419084746 [0,0,1,0,0,0|1,0,2]=4 262 B5R0.3 CCC(O)CO Z600450538 [0,0,1,0,0,0|1,0,2]=4 263 B5R0.3 CC[C@@H](N)CO Z1203162359 [0,0,1,0,0,0|2,0,1]=4 264 B5R0.3 CC[C@H](N)CO Z1203162358 [0,0,1,0,0,0|2,0,1]=4 265 B5R0.3 CNC(=O)CCl Z56891219 [0,0,1,0,0,0|2,0,0]=3 266 B5R0.3 CNC(=O)CN Z57981102 [0,0,1,0,0,0|2,0,0]=3 267 B5R0.3 CNC(=O)CO Z431952700 [0,0,1,0,0,0|2,0,0]=3 268 B5R0.3 CNC(=O)CS Z1203730878 [0,0,1,0,0,0|2,0,0]=3 269 B5R0.3 COC(=O)CN Z57042020 [0,0,1,0,0,0|2,0,0]=3 270 B5R0.3 NCC(=O)CN Z1198147360 [0,0,1,0,0,0|2,0,0]=3 271 B5R0.3 O=C(CO)CO Z1255442144 [0,0,1,0,0,0|2,0,0]=3 272 B7R2.11 C1NC2CC1C2 Z3074473459 [0,0,0,1,0,0|2,0,1]=4 273 B7R2.13 C1CC2CC2N1 Z1964347529 [0,0,0,1,0,0|2,0,1]=4 274 B7R2.13 C1CC2OC2C1 Z255149904 [0,0,0,1,0,0|0,0,2]=3 275 B7R2.13 C1NCC2C1C2 Z1270630267 [0,0,0,1,0,0|2,0,1]=4 276 B5R1.2 NC1CCC1 Z1266823158 [0,0,0,0,1,0|1,0,1]=3 277 B5R1.2 NC1COC1 Z317054188 [0,0,0,0,1,0|2,0,1]=4 278 B5R1.2 O=C1CCO1 Z1089877620 [0,0,0,0,1,0|1,0,0]=2 279 B5R1.2 OC1CNC1 Z1012638850 [0,0,0,0,1,0|1,0,2]=4 280 B5R1.2 OC1COC1 Z1123686553 [0,0,0,0,1,0|1,0,2]=4 281 B7R1.3 C=C1CCNCC1 Z1124146875 [0,0,0,0,0,1|1,0,0]=2 282 B7R1.3 CC1=CCCNC1 Z2143573194 [0,0,0,0,0,1|1,0,1]=3 283 B7R1.3 CC1CNCCN1 Z104480242 [0,0,0,0,0,1|2,0,1]=4 284 B7R1.3 CC1CNCCO1 Z204013884 [0,0,0,0,0,1|2,0,1]=4 285 B7R1.3 CC1CNCCS1 Z334686272 [0,0,0,0,0,1|2,0,1]=4 286 B7R1.3 CC1COCCN1 Z336087928 [0,0,0,0,0,1|2,0,1]=4 287 B7R1.3 CC1CSCCN1 Z334686282 [0,0,0,0,0,1|2,0,1]=4 288 B7R1.3 CN1CCNCC1 Z57834041 [0,0,0,0,0,1|2,0,0]=3 289 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [0,0,0,0,0,1|1,0,1]=3 290 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [0,0,0,0,0,1|2,0,1]=4 291 B7R1.3 FC1=CCCNC1 Z1570657372 [0,0,0,0,0,1|1,0,1]=3 292 B7R1.3 FC1CCNCC1 Z1741960061 [0,0,0,0,0,1|1,0,1]=3 293 B7R1.3 NC1=NCCCC1 Z1723418848 [0,0,0,0,0,1|1,0,0]=2 294 B7R1.3 NC1=NCCCN1 Z1259041088 [0,0,0,0,0,1|2,0,0]=3 295 B7R1.3 NC1=NCCCS1 Z2211231389 [0,0,0,0,0,1|2,0,0]=3 296 B7R1.3 NC1C=CCCC1 Z1203579654 [0,0,0,0,0,1|1,0,2]=4 297 B7R1.3 NC1CCCCC1 Z1945707495 [0,0,0,0,0,1|1,0,1]=3 298 B7R1.3 NC1CCCOC1 Z1013492300 [0,0,0,0,0,1|1,0,1]=3 299 B7R1.3 NC1CCCSC1 Z1029463244 [0,0,0,0,0,1|1,0,1]=3 300 B7R1.3 NC1CCOCC1 Z600428352 [0,0,0,0,0,1|1,0,1]=3 301 B7R1.3 NC1CCSCC1 Z992716928 [0,0,0,0,0,1|1,0,1]=3 302 B7R1.3 O=C1C=CCCC1 Z295197140 [0,0,0,0,0,1|0,0,1]=2 303 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,0,0,0,0,1|0,0,2]=3 304 B7R1.3 O=C1CCCCC1 Z104474256 [0,0,0,0,0,1|0,0,0]=1 305 B7R1.3 O=C1CCCCN1 Z168817684 [0,0,0,0,0,1|0,0,0]=1 306 B7R1.3 O=C1CCCCO1 Z432085120 [0,0,0,0,0,1|0,0,0]=1 307 B7R1.3 O=C1CCCCS1 Z1726147018 [0,0,0,0,0,1|0,0,0]=1 308 B7R1.3 O=C1CCCNC1 Z3063726909 [0,0,0,0,0,1|0,0,0]=1 309 B7R1.3 O=C1CCCNN1 Z1416174508 [0,0,0,0,0,1|1,0,0]=2 310 B7R1.3 O=C1CCCSC1 Z979714552 [0,0,0,0,0,1|0,0,0]=1 311 B7R1.3 O=C1CCNCC1 Z1741959513 [0,0,0,0,0,1|0,0,0]=1 312 B7R1.3 O=C1CNCCN1 Z56968535 [0,0,0,0,0,1|1,0,0]=2 313 B7R1.3 O=C1CSCCN1 Z337709368 [0,0,0,0,0,1|1,0,0]=2 314 B7R1.3 O=C1CSCSC1 Z1251333166 [0,0,0,0,0,1|1,0,0]=2 315 B7R1.3 O=C1NCCCN1 Z1203730774 [0,0,0,0,0,1|1,0,0]=2 316 B7R1.3 O=C1NCCCO1 Z1198312172 [0,0,0,0,0,1|1,0,0]=2 317 B7R1.3 O=C1NCNCN1 Z1255437058 [0,0,0,0,0,1|2,0,0]=3 318 B7R1.3 O=C1NNCCO1 Z2732442016 [0,0,0,0,0,1|2,0,0]=3 319 B7R1.3 O=S1CCNCC1 Z1263714072 [0,0,0,0,0,1|1,0,0]=2 320 B7R1.3 OC1CCCCC1 Z104473498 [0,0,0,0,0,1|0,0,2]=3 321 B7R1.3 OC1CCCSC1 Z993818972 [0,0,0,0,0,1|0,0,2]=3 322 B7R1.3 OC1CCNCC1 Z56347197 [0,0,0,0,0,1|0,0,2]=3 323 B7R1.3 OC1CCOCC1 Z1359429523 [0,0,0,0,0,1|0,0,2]=3 324 B7R1.3 OC1CCONC1 Z3325124334 [0,0,0,0,0,1|1,0,2]=4 325 B7R1.3 OC1CNCCO1 Z1428160315 [0,0,0,0,0,1|1,0,2]=4 326 B7R1.3 OC1COCOC1 Z431564488 [0,0,0,0,0,1|1,0,2]=4 327 B7R1.3 S=C1NCNCN1 Z56756573 [0,0,0,0,0,1|2,1,0]=4 328 B4R0.1 CC(=O)C=O Z104495190 [1,0,1,0,0,0|1,0,1]=4 329 B4R0.1 CC(=O)CN Z1262398366 [1,0,1,0,0,0|1,0,0]=3 330 B4R0.1 CC(=O)NN Z58981787 [1,0,1,0,0,0|2,0,0]=4 331 B4R0.1 CC(=O)NO Z59181917 [1,0,1,0,0,0|2,0,0]=4 332 B4R0.1 CCC(=N)N Z1741969146 [1,0,1,0,0,0|2,0,0]=4 333 B4R0.1 CCC(=O)N Z33546482 [1,0,1,0,0,0|1,0,0]=3 334 B4R0.1 CCC(=O)O Z104474154 [1,0,1,0,0,0|1,0,0]=3 335 B4R0.1 CCC(=S)N Z241091446 [1,0,1,0,0,0|1,1,0]=4 336 B4R0.1 CCC(C)N Z104472234 [1,0,1,0,0,0|1,0,1]=4 337 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,1,0,0,0|0,0,2]=4 338 B4R0.1 CNC(=N)C Z2146515751 [1,0,1,0,0,0|2,0,0]=4 339 B4R0.1 CNC(=O)C Z32016274 [1,0,1,0,0,0|1,0,0]=3 340 B4R0.1 CNC(=O)N Z56932989 [1,0,1,0,0,0|2,0,0]=4 341 B4R0.1 COC(=O)N Z104476722 [1,0,1,0,0,0|2,0,0]=4 342 B4R0.1 NC(=O)CF Z104475768 [1,0,1,0,0,0|2,0,0]=4 343 B4R0.1 NC(=O)CI Z1080376832 [1,0,1,0,0,0|2,0,0]=4 344 B4R0.1 NC(=O)CO Z424788508 [1,0,1,0,0,0|2,0,0]=4 345 B4R0.1 NCC(=O)N Z1262254285 [1,0,1,0,0,0|2,0,0]=4 346 B4R0.1 NCC(=O)O Z955123660 [1,0,1,0,0,0|2,0,0]=4 347 B4R0.1 O=C(O)CBr Z104473018 [1,0,1,0,0,0|2,0,0]=4 348 B4R0.1 O=C(O)CO Z104473274 [1,0,1,0,0,0|2,0,0]=4 349 B4R0.2 CCCC#N Z238878246 [1,0,1,0,0,0|1,0,1]=4 350 B4R0.2 CCCCN Z104474314 [1,0,1,0,0,0|1,0,0]=3 351 B4R0.2 CCCCO Z104473488 [1,0,1,0,0,0|0,0,1]=3 352 B4R0.2 CCCNN Z415728048 [1,0,1,0,0,0|2,0,0]=4 353 B4R0.2 COCCO Z104473522 [1,0,1,0,0,0|1,0,1]=4 354 B4R0.2 CSCCO Z149154880 [1,0,1,0,0,0|1,0,1]=4 355 B4R0.2 NCCCN Z104478068 [1,0,1,0,0,0|2,0,0]=4 356 B4R0.2 NCCCO Z56771034 [1,0,1,0,0,0|1,0,1]=4 357 B6R0.1 C#CC(=O)OCC Z104478880 [0,1,1,0,0,0|1,0,1]=4 358 B6R0.1 C#CCC(=O)OC Z1198160347 [0,1,1,0,0,0|0,0,2]=4 359 B6R0.1 CCC(=O)COC Z825742020 [0,1,1,0,0,0|1,0,0]=3 360 B6R0.1 CCCC(=O)CN Z1203579017 [0,1,1,0,0,0|0,0,0]=2 361 B6R0.1 CCCC(=O)NO Z59181937 [0,1,1,0,0,0|1,0,0]=3 362 B6R0.1 CCCC(C)C#N Z415654768 [0,1,1,0,0,0|1,0,1]=4 363 B6R0.1 CCCC(C)NC Z394693580 [0,1,1,0,0,0|1,0,1]=4 364 B6R0.1 CCCC(N)CC Z1642389626 [0,1,1,0,0,0|1,0,1]=4 365 B6R0.1 CCCC(N)CN Z425861040 [0,1,1,0,0,0|1,0,1]=4 366 B6R0.1 CCCC(O)CN Z419084742 [0,1,1,0,0,0|0,0,2]=4 367 B6R0.1 CCCN(C)N=O Z1198147496 [0,1,1,0,0,0|1,0,0]=3 368 B6R0.1 CCNC(=N)NC Z1357224692 [0,1,1,0,0,0|2,0,0]=4 369 B6R0.1 CCNC(=O)CN Z54747476 [0,1,1,0,0,0|1,0,0]=3 370 B6R0.1 CCNC(=O)CO Z431952024 [0,1,1,0,0,0|1,0,0]=3 371 B6R0.1 CCOC(=N)CC Z3033961910 [0,1,1,0,0,0|2,0,0]=4 372 B6R0.1 CCOC(=O)CN Z594038186 [0,1,1,0,0,0|1,0,0]=3 373 B6R0.1 CCOC(=O)CO Z385458066 [0,1,1,0,0,0|1,0,0]=3 374 B6R0.1 CCOC(=O)NN Z104478458 [0,1,1,0,0,0|2,0,0]=4 375 B6R0.1 CCS(=O)CCN Z1266854910 [0,1,1,0,0,0|2,0,0]=4 376 B6R0.1 CNC(=O)CC#N Z56945997 [0,1,1,0,0,0|1,0,1]=4 377 B6R0.1 CNC(=O)CCCl Z239813512 [0,1,1,0,0,0|1,0,0]=3 378 B6R0.1 CNC(=O)CCN Z425449754 [0,1,1,0,0,0|1,0,0]=3 379 B6R0.1 CNC(=O)CCO Z975909370 [0,1,1,0,0,0|1,0,0]=3 380 B6R0.1 CNCC(=O)NC Z57981096 [0,1,1,0,0,0|1,0,0]=3 381 B6R0.1 CNCC(=O)OC Z89264972 [0,1,1,0,0,0|1,0,0]=3 382 B6R0.1 CONC(=O)CCl Z234816732 [0,1,1,0,0,0|2,0,0]=4 383 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,1,1,0,0,0|1,0,1]=4 384 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,1,1,0,0,0|0,0,2]=4 385 B6R0.2 CC(=O)CC(C)N Z57329385 [0,1,1,0,0,0|0,0,0]=2 386 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,1,1,0,0,0|2,0,0]=4 387 B6R0.2 CC(C)CC(=O)N Z33546511 [0,1,1,0,0,0|1,0,0]=3 388 B6R0.2 CC(C)CC(=O)O Z104474910 [0,1,1,0,0,0|1,0,0]=3 389 B6R0.2 CC(C)NC(=O)N Z56887677 [0,1,1,0,0,0|2,0,0]=4 390 B6R0.2 CC(N)CC(=O)N Z594220690 [0,1,1,0,0,0|1,0,0]=3 391 B6R0.2 CC(N)CC(=O)O Z147647144 [0,1,1,0,0,0|1,0,0]=3 392 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,1,1,0,0,0|1,0,0]=3 393 B6R0.2 CN(C)CC(=O)N Z54750057 [0,1,1,0,0,0|2,0,0]=4 394 B6R0.2 CN(C)CC(=O)O Z235580496 [0,1,1,0,0,0|2,0,0]=4 395 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,1,1,0,0,0|2,0,0]=4 396 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,1,1,0,0,0|1,0,0]=3 397 B6R0.3 CC(CN)C(=O)O Z431542704 [0,1,1,0,0,0|2,0,0]=4 398 B6R0.3 CC(CO)C(=O)O Z431541400 [0,1,1,0,0,0|2,0,0]=4 399 B6R0.3 CCC(C)C(=N)N Z823287482 [0,1,1,0,0,0|2,0,0]=4 400 B6R0.3 CCC(C)C(=O)N Z270978420 [0,1,1,0,0,0|1,0,0]=3 401 B6R0.3 CCC(C)C(=O)O Z237374874 [0,1,1,0,0,0|1,0,0]=3 402 B6R0.3 CCC(C)C(C)N Z335455612 [0,1,1,0,0,0|1,0,1]=4 403 B6R0.3 CCC(N)C(=O)O Z104495144 [0,1,1,0,0,0|1,0,0]=3 404 B6R0.3 CCC(N)C(C)C Z823287438 [0,1,1,0,0,0|1,0,1]=4 405 B6R0.3 CCC(O)C(=O)N Z965049008 [0,1,1,0,0,0|1,0,0]=3 406 B6R0.3 CCC(O)C(=O)O Z246073650 [0,1,1,0,0,0|1,0,0]=3 407 B6R0.3 CCC(O)C(C)C Z445987082 [0,1,1,0,0,0|1,0,1]=4 408 B6R0.3 CCC(O)C(C)O Z1251352132 [0,1,1,0,0,0|0,0,2]=4 409 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,1,1,0,0,0|1,0,0]=3 410 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,1,1,0,0,0|1,0,0]=3 411 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,1,1,0,0,0|1,0,0]=3 412 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,1,1,0,0,0|2,0,0]=4 413 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,1,1,0,0,0|2,0,0]=4 414 B6R0.3 COC(C)C(=O)C Z447898138 [0,1,1,0,0,0|1,0,0]=3 415 B6R0.3 COC(C)C(=O)N Z223645218 [0,1,1,0,0,0|2,0,0]=4 416 B6R0.3 COC(C)C(=O)O Z316258898 [0,1,1,0,0,0|2,0,0]=4 417 B6R0.3 CSC(C)C(=O)O Z149191750 [0,1,1,0,0,0|2,0,0]=4 418 B6R0.3 NC(CO)C(=O)O Z57396986 [0,1,1,0,0,0|2,0,0]=4 419 B6R0.3 NC(CS)C(=O)O Z966690626 [0,1,1,0,0,0|2,0,0]=4 420 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,1,1,0,0,0|2,0,0]=4 421 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,1,1,0,0,0|2,0,0]=4 422 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,1,1,0,0,0|2,0,0]=4 423 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,1,1,0,0,0|2,0,0]=4 424 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,1,1,0,0,0|2,0,0]=4 425 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,1,1,0,0,0|2,0,0]=4 426 B6R0.4 C#CCCC(=O)O Z295890062 [0,1,1,0,0,0|1,0,1]=4 427 B6R0.4 C#CCNC(=O)C Z220957448 [0,1,1,0,0,0|0,0,2]=4 428 B6R0.4 C=CCCC(=O)C Z406376894 [0,1,1,0,0,0|0,0,1]=3 429 B6R0.4 C=CCCC(=O)O Z995028722 [0,1,1,0,0,0|1,0,1]=4 430 B6R0.4 C=CCNC(=O)C Z32064466 [0,1,1,0,0,0|0,0,2]=4 431 B6R0.4 CC(=O)CCC#N Z1251352415 [0,1,1,0,0,0|0,0,1]=3 432 B6R0.4 CC(=O)NCCCl Z57983106 [0,1,1,0,0,0|1,0,0]=3 433 B6R0.4 CC(=O)OCCN Z1973465551 [0,1,1,0,0,0|1,0,0]=3 434 B6R0.4 CC(C)CCCN Z992716898 [0,1,1,0,0,0|1,0,1]=4 435 B6R0.4 CC(N)CCCN Z2230911100 [0,1,1,0,0,0|1,0,1]=4 436 B6R0.4 CC(N)CCCO Z1203578676 [0,1,1,0,0,0|1,0,1]=4 437 B6R0.4 CC(O)CCCN Z1198178891 [0,1,1,0,0,0|0,0,2]=4 438 B6R0.4 CC/C=C/C(=O)O Z2311573931 [0,1,1,0,0,0|1,0,1]=4 439 B6R0.4 CCC#CC(=O)O Z1205493735 [0,1,1,0,0,0|1,0,1]=4 440 B6R0.4 CCCCC(=N)N Z1723418909 [0,1,1,0,0,0|2,0,0]=4 441 B6R0.4 CCCCC(=O)N Z104476278 [0,1,1,0,0,0|1,0,0]=3 442 B6R0.4 CCCCC(=O)O Z104473312 [0,1,1,0,0,0|1,0,0]=3 443 B6R0.4 CCCCC(C)N Z3300506318 [0,1,1,0,0,0|1,0,1]=4 444 B6R0.4 CCCNC(=O)C Z33030314 [0,1,1,0,0,0|0,0,0]=2 445 B6R0.4 CCCNC(=S)N Z56930715 [0,1,1,0,0,0|1,1,0]=4 446 B6R0.4 CCCOC(=O)N Z1198148877 [0,1,1,0,0,0|1,0,0]=3 447 B6R0.4 CCNCC(=O)N Z1459435506 [0,1,1,0,0,0|1,0,0]=3 448 B6R0.4 CCNCC(=O)O Z744593094 [0,1,1,0,0,0|1,0,0]=3 449 B6R0.4 CCNCC(C)C Z380844664 [0,1,1,0,0,0|1,0,1]=4 450 B6R0.4 CCNCC(C)O Z138692768 [0,1,1,0,0,0|0,0,2]=4 451 B6R0.4 CCOCC(=O)O Z104495232 [0,1,1,0,0,0|1,0,0]=3 452 B6R0.4 CCOCC(C)N Z839575202 [0,1,1,0,0,0|1,0,1]=4 453 B6R0.4 CCSCC(C)N Z1203641186 [0,1,1,0,0,0|1,0,1]=4 454 B6R0.4 CNCCC(=O)C Z1536943318 [0,1,1,0,0,0|0,0,0]=2 455 B6R0.4 CNCCC(C)C Z607822512 [0,1,1,0,0,0|1,0,1]=4 456 B6R0.4 CNCCC(C)O Z1203731868 [0,1,1,0,0,0|0,0,2]=4 457 B6R0.4 CNCCN(C)C Z138123106 [0,1,1,0,0,0|2,0,0]=4 458 B6R0.4 COCCC(=N)N Z1592042674 [0,1,1,0,0,0|2,0,0]=4 459 B6R0.4 COCCC(=O)C Z362119682 [0,1,1,0,0,0|0,0,0]=2 460 B6R0.4 COCCC(=O)N Z394696458 [0,1,1,0,0,0|1,0,0]=3 461 B6R0.4 COCCC(=O)O Z285184634 [0,1,1,0,0,0|1,0,0]=3 462 B6R0.4 COCCC(C)N Z361881180 [0,1,1,0,0,0|1,0,1]=4 463 B6R0.4 COCCC(C)O Z818738042 [0,1,1,0,0,0|0,0,2]=4 464 B6R0.4 COCCN(C)C Z5121096537 [0,1,1,0,0,0|2,0,0]=4 465 B6R0.4 CSCCC(=N)N Z1266823407 [0,1,1,0,0,0|2,0,0]=4 466 B6R0.4 CSCCC(=O)O Z54719251 [0,1,1,0,0,0|1,0,0]=3 467 B6R0.4 N#CCCC(=O)N Z57160408 [0,1,1,0,0,0|1,0,1]=4 468 B6R0.4 NC(=O)CCCO Z1203578394 [0,1,1,0,0,0|1,0,0]=3 469 B6R0.4 NC(=O)NCCF Z1203582184 [0,1,1,0,0,0|2,0,0]=4 470 B6R0.4 NC(=O)OCCO Z1198158440 [0,1,1,0,0,0|2,0,0]=4 471 B6R0.4 NCCCC(=O)N Z398513418 [0,1,1,0,0,0|1,0,0]=3 472 B6R0.4 NCCCC(=O)O Z104475620 [0,1,1,0,0,0|1,0,0]=3 473 B6R0.4 NCCCS(=O)O Z1203579399 [0,1,1,0,0,0|2,0,0]=4 474 B6R0.4 NCCNC(=O)N Z1268152381 [0,1,1,0,0,0|2,0,0]=4 475 B6R0.4 NCCOC(=O)N Z1587257433 [0,1,1,0,0,0|2,0,0]=4 476 B6R0.4 O=C(O)CCCS Z147642510 [0,1,1,0,0,0|1,0,0]=3 477 B6R0.5 CCCC(C)(C)N Z1262250787 [0,1,1,0,0,0|1,0,1]=4 478 B6R0.5 CCCC(C)(C)O Z449374450 [0,1,1,0,0,0|0,0,2]=4 479 B6R0.5 CCNS(=O)(=O)C Z53825320 [0,1,1,0,0,0|2,0,0]=4 480 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,1,1,0,0,0|2,0,0]=4 481 B6R0.6 C#CCCCCN Z1431002697 [0,1,1,0,0,0|1,0,1]=4 482 B6R0.6 C#CCNCCC Z815264308 [0,1,1,0,0,0|1,0,1]=4 483 B6R0.6 C=CCCCCN Z1198160046 [0,1,1,0,0,0|1,0,0]=3 484 B6R0.6 C=CCNCCO Z137800938 [0,1,1,0,0,0|2,0,0]=4 485 B6R0.6 C=CCOCCN Z976678988 [0,1,1,0,0,0|2,0,0]=4 486 B6R0.6 C=CCSCCN Z1262237162 [0,1,1,0,0,0|2,0,0]=4 487 B6R0.6 CCCCCCO Z104473568 [0,1,1,0,0,0|0,0,2]=4 488 B6R0.6 CCCCN=C=S Z104473876 [0,1,1,0,0,0|0,1,1]=4 489 B6R0.6 CCCNCC#N Z235653524 [0,1,1,0,0,0|1,0,1]=4 490 B6R0.6 CCCOCCN Z4449042604 [0,1,1,0,0,0|1,0,1]=4 491 B6R0.6 CCNCCCF Z1203824341 [0,1,1,0,0,0|1,0,1]=4 492 B6R0.6 CCNCCCO Z138139914 [0,1,1,0,0,0|0,0,2]=4 493 B6R0.6 CCNCCSC Z2412193591 [0,1,1,0,0,0|2,0,0]=4 494 B6R0.6 CCOCCCO Z1080358490 [0,1,1,0,0,0|0,0,2]=4 495 B6R0.6 CNCCCCN Z2939606540 [0,1,1,0,0,0|1,0,1]=4 496 B6R0.6 CNCCCCO Z839096662 [0,1,1,0,0,0|0,0,2]=4 497 B6R0.6 CNCCCOC Z137847932 [0,1,1,0,0,0|2,0,0]=4 498 B6R0.6 CNCCCSC Z102766932 [0,1,1,0,0,0|2,0,0]=4 499 B6R0.6 COCCCC#N Z295205400 [0,1,1,0,0,0|1,0,1]=4 500 B6R0.6 COCCCCO Z431605254 [0,1,1,0,0,0|0,0,2]=4 501 B6R0.6 COCCN=C=O Z1094719556 [0,1,1,0,0,0|1,0,1]=4 502 B6R0.6 N#CCCCCN Z823279224 [0,1,1,0,0,0|1,0,1]=4 503 B6R0.6 N#CCCCCO Z431952150 [0,1,1,0,0,0|1,0,1]=4 504 B6R0.6 NCCCCCF Z3524160733 [0,1,1,0,0,0|1,0,1]=4 505 B6R0.6 NCCCCCN Z951173830 [0,1,1,0,0,0|1,0,1]=4 506 B6R0.6 O=CCCCC=O Z57127529 [0,1,1,0,0,0|0,0,1]=3 507 B6R0.8 CCC(C)(N)CC Z1267881628 [0,1,1,0,0,0|1,0,1]=4 508 B6R0.8 CCC(C)(O)CC Z449374480 [0,1,1,0,0,0|0,0,2]=4 509 B6R0.9 CCC(CC)NC Z1262254286 [0,1,1,0,0,0|1,0,1]=4 510 B6R0.9 CCN(CC)CC Z137796018 [0,1,1,0,0,0|2,0,0]=4 511 B6R0.9 CCN(CC)N=O Z1255485632 [0,1,1,0,0,0|1,0,0]=3 512 B6R1.4 CC1CCC1N Z2082999653 [0,1,0,0,1,0|1,0,1]=4 513 B6R1.5 CC1CC(C1)N Z1357823942 [0,1,0,0,1,0|1,0,1]=4 514 B6R1.5 CN1CC(C1)N Z1741969265 [0,1,0,0,1,0|2,0,0]=4 515 B6R1.5 NC1CC(C1)N Z1511513968 [0,1,0,0,1,0|1,0,1]=4 516 B6R1.5 N[C@H]1C[C@@H](C1)N Z3244521251 [0,1,0,0,1,0|1,0,1]=4 517 B6R1.5 N[C@H]1C[C@H](C1)F Z3015579885 [0,1,0,0,1,0|1,0,1]=4 518 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [0,1,0,0,1,0|0,0,2]=4 519 B6R1.5 O[C@H]1C[C@H](C1)O Z2065357735 [0,1,0,0,1,0|0,0,2]=4 520 B6R1.6 CNC1CCC1 Z1263820270 [0,1,0,0,1,0|1,0,1]=4 521 B6R1.6 N#CC1CCC1 Z406694072 [0,1,0,0,1,0|1,0,1]=4 522 B6R1.6 NCC1CCC1 Z381061564 [0,1,0,0,1,0|1,0,1]=4 523 B6R1.6 O=CC1CCC1 Z1079442452 [0,1,0,0,1,0|0,0,1]=3 524 B6R1.10 CC1(CCC1)N Z1741969618 [0,1,0,0,1,0|1,0,1]=4 525 B6R1.10 CC1(CCC1)O Z1241455013 [0,1,0,0,1,0|0,0,2]=4 526 B6R1.10 O=S1(=O)CCN1 Z415933552 [0,1,0,0,1,0|2,0,0]=4 527 B8R1.2 BrC=C1CCNCC1 Z4355559318 [0,1,0,0,0,1|1,0,0]=3 528 B8R1.2 BrCC1CCCCO1 Z104484248 [0,1,0,0,0,1|1,0,1]=4 529 B8R1.2 C#CC1CCCCC1 Z1255457380 [0,1,0,0,0,1|1,0,1]=4 530 B8R1.2 C#CC1CCCCN1 Z2940715353 [0,1,0,0,0,1|1,0,1]=4 531 B8R1.2 C#CC1CCCNC1 Z1741980183 [0,1,0,0,0,1|1,0,1]=4 532 B8R1.2 C#CC1CCNCC1 Z2418193722 [0,1,0,0,0,1|1,0,1]=4 533 B8R1.2 C=CC1CCCCN1 Z2142036752 [0,1,0,0,0,1|1,0,1]=4 534 B8R1.2 C=CC1CCCNC1 Z2740400893 [0,1,0,0,0,1|1,0,1]=4 535 B8R1.2 C=CC1CCNCC1 Z1266933822 [0,1,0,0,0,1|1,0,1]=4 536 B8R1.2 CCC1CCCCN1 Z839028612 [0,1,0,0,0,1|1,0,1]=4 537 B8R1.2 CCC1CCCNC1 Z381019246 [0,1,0,0,0,1|1,0,1]=4 538 B8R1.2 CCC1CCNCC1 Z1198394219 [0,1,0,0,0,1|1,0,1]=4 539 B8R1.2 CCN1CCNCC1 Z104472630 [0,1,0,0,0,1|2,0,0]=4 540 B8R1.2 CNC1=NCCCC1 Z1744713171 [0,1,0,0,0,1|1,0,0]=3 541 B8R1.2 CNC1CCCSC1 Z1873867368 [0,1,0,0,0,1|1,0,1]=4 542 B8R1.2 CNC1CCNCC1 Z1511513954 [0,1,0,0,0,1|1,0,1]=4 543 B8R1.2 CNC1CCOCC1 Z440603550 [0,1,0,0,0,1|1,0,1]=4 544 B8R1.2 CNC1CCSCC1 Z3234882084 [0,1,0,0,0,1|1,0,1]=4 545 B8R1.2 COC1=NCCCC1 Z729471270 [0,1,0,0,0,1|0,0,1]=3 546 B8R1.2 COC1CCNCC1 Z169511496 [0,1,0,0,0,1|0,0,2]=4 547 B8R1.2 CSC1=NCCCN1 Z104341704 [0,1,0,0,0,1|1,1,0]=4 548 B8R1.2 CSC1CCNCC1 Z1201627011 [0,1,0,0,0,1|0,1,1]=4 549 B8R1.2 FCC1CCCNC1 Z2768770399 [0,1,0,0,0,1|1,0,1]=4 550 B8R1.2 N#CC1=COCCC1 Z1134174156 [0,1,0,0,0,1|1,0,1]=4 551 B8R1.2 N#CC1CCCCC1 Z210803886 [0,1,0,0,0,1|1,0,1]=4 552 B8R1.2 N#CC1CCCCN1 Z205012332 [0,1,0,0,0,1|1,0,1]=4 553 B8R1.2 N#CC1CCCCS1 Z1413800329 [0,1,0,0,0,1|1,0,1]=4 554 B8R1.2 N#CC1CCCNC1 Z1198184383 [0,1,0,0,0,1|1,0,1]=4 555 B8R1.2 N#CC1CCCOC1 Z1079179226 [0,1,0,0,0,1|1,0,1]=4 556 B8R1.2 N#CC1CCNCC1 Z969559998 [0,1,0,0,0,1|1,0,1]=4 557 B8R1.2 N#CC1CCOCC1 Z440605452 [0,1,0,0,0,1|1,0,1]=4 558 B8R1.2 N#CN1CCOCC1 Z1255457411 [0,1,0,0,0,1|2,0,0]=4 559 B8R1.2 NCC1=CCCCC1 Z2230911155 [0,1,0,0,0,1|1,0,0]=3 560 B8R1.2 NCC1=CCCOC1 Z2096659348 [0,1,0,0,0,1|1,0,1]=4 561 B8R1.2 NCC1=CCOCC1 Z2234185641 [0,1,0,0,0,1|1,0,1]=4 562 B8R1.2 NCC1=NCCCN1 Z994488026 [0,1,0,0,0,1|2,0,0]=4 563 B8R1.2 NCC1CCCCC1 Z235354645 [0,1,0,0,0,1|1,0,1]=4 564 B8R1.2 NCC1CCCCO1 Z839575544 [0,1,0,0,0,1|1,0,1]=4 565 B8R1.2 NCC1CCCCS1 Z1318217220 [0,1,0,0,0,1|1,0,1]=4 566 B8R1.2 NCC1CCOCC1 Z440605454 [0,1,0,0,0,1|1,0,1]=4 567 B8R1.2 NC[C@H]1CCCNC1 Z2686452674 [0,1,0,0,0,1|1,0,1]=4 568 B8R1.2 NOC1CCCCO1 Z968560364 [0,1,0,0,0,1|0,0,2]=4 569 B8R1.2 O=CC1=CCCCC1 Z1190318865 [0,1,0,0,0,1|0,0,0]=2 570 B8R1.2 O=CC1=CCCOC1 Z979787886 [0,1,0,0,0,1|0,0,1]=3 571 B8R1.2 O=CC1=CCCSC1 Z1255380334 [0,1,0,0,0,1|0,0,1]=3 572 B8R1.2 O=CC1=CCOCC1 Z1511760351 [0,1,0,0,0,1|0,0,1]=3 573 B8R1.2 O=CC1=COCCC1 Z432415080 [0,1,0,0,0,1|0,0,1]=3 574 B8R1.2 O=CC1=COCCO1 Z1198154290 [0,1,0,0,0,1|1,0,1]=4 575 B8R1.2 O=CC1CC=CCC1 Z57936862 [0,1,0,0,0,1|0,0,2]=4 576 B8R1.2 O=CC1CCCCC1 Z104478974 [0,1,0,0,0,1|0,0,1]=3 577 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,1,0,0,0,1|0,0,1]=3 578 B8R1.2 O=CC1CCCOC1 Z1065877672 [0,1,0,0,0,1|0,0,1]=3 579 B8R1.2 O=CC1CCCSC1 Z1255489365 [0,1,0,0,0,1|0,0,1]=3 580 B8R1.2 O=CC1CCOCC1 Z979759508 [0,1,0,0,0,1|0,0,1]=3 581 B8R1.2 O=CC1CCSCC1 Z1201622265 [0,1,0,0,0,1|0,0,1]=3 582 B8R1.2 O=CN1CCCCC1 Z1255415437 [0,1,0,0,0,1|1,0,0]=3 583 B8R1.2 O=CN1CCNCC1 Z104479110 [0,1,0,0,0,1|1,0,0]=3 584 B8R1.2 O=CN1CCOCC1 Z295197308 [0,1,0,0,0,1|1,0,0]=3 585 B8R1.2 O=NN1CCCCC1 Z1198147906 [0,1,0,0,0,1|1,0,0]=3 586 B8R1.2 O=NN1CCNCC1 Z1198149478 [0,1,0,0,0,1|1,0,0]=3 587 B8R1.2 O=NN1CCOCC1 Z1255360497 [0,1,0,0,0,1|1,0,0]=3 588 B8R1.2 O=NN1CCSCC1 Z1198157610 [0,1,0,0,0,1|1,0,0]=3 589 B8R1.2 OCC1=CCNCC1 Z2310702179 [0,1,0,0,0,1|0,0,2]=4 590 B8R1.2 OCC1CCCCC1 Z104503428 [0,1,0,0,0,1|0,0,2]=4 591 B8R1.2 OCC1CCCCN1 Z104476610 [0,1,0,0,0,1|0,0,2]=4 592 B8R1.2 OCC1CCCCO1 Z104479808 [0,1,0,0,0,1|0,0,2]=4 593 B8R1.2 OCC1CCCNC1 Z104479614 [0,1,0,0,0,1|0,0,2]=4 594 B8R1.2 OCC1CCCOC1 Z445213352 [0,1,0,0,0,1|0,0,2]=4 595 B8R1.2 OCC1CCNCC1 Z380864362 [0,1,0,0,0,1|0,0,2]=4 596 B8R1.2 OCC1CCOCC1 Z979753218 [0,1,0,0,0,1|0,0,2]=4 597 B8R1.2 OCC1CCSCC1 Z1198266791 [0,1,0,0,0,1|0,0,2]=4 598 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [0,1,0,0,0,1|0,0,2]=4 599 B8R1.2 ON=C1CCCCC1 Z49568468 [0,1,0,0,0,1|0,0,1]=3 600 B8R1.2 [C-]#[N+]C1CCOCC1 Z1725967213 [0,1,0,0,0,1|1,0,1]=4 601 B8R1.3 CC1=CCC(CC1)N Z3857655203 [0,1,0,0,0,1|1,0,0]=3 602 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [0,1,0,0,0,1|1,0,1]=4 603 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,1,0,0,0,1|0,0,0]=2 604 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,1,0,0,0,1|0,0,0]=2 605 B8R1.3 CC1CCC(CC1)O Z104476106 [0,1,0,0,0,1|0,0,2]=4 606 B8R1.3 CC1CCC(CN1)N Z3544167688 [0,1,0,0,0,1|1,0,1]=4 607 B8R1.3 CC1CCC(CN1)O Z2350906968 [0,1,0,0,0,1|0,0,2]=4 608 B8R1.3 CC1CCC(CO1)O Z1898581838 [0,1,0,0,0,1|0,0,2]=4 609 B8R1.3 CC1CN=C(NC1)N Z1203586632 [0,1,0,0,0,1|2,0,0]=4 610 B8R1.3 CN1CC=C(CC1)Br Z4896525382 [0,1,0,0,0,1|1,0,1]=4 611 B8R1.3 CN1CCC(CC1)N Z89283296 [0,1,0,0,0,1|1,0,1]=4 612 B8R1.3 C[C@@H]1CC[C@@H](CN1)O Z2309899176 [0,1,0,0,0,1|0,0,2]=4 613 B8R1.3 C[C@@H]1CC[C@H](CN1)O Z2327179252 [0,1,0,0,0,1|0,0,2]=4 614 B8R1.3 C[C@H]1CC[C@@H](CC1)N Z1150306734 [0,1,0,0,0,1|1,0,1]=4 615 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,1,0,0,0,1|0,0,0]=2 616 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,1,0,0,0,1|0,0,0]=2 617 B8R1.3 NC1CCC(CC1)N Z104477550 [0,1,0,0,0,1|1,0,1]=4 618 B8R1.3 NC1CNC(=O)NC1 Z4926262838 [0,1,0,0,0,1|1,0,0]=3 619 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [0,1,0,0,0,1|0,0,0]=2 620 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,1,0,0,0,1|0,0,1]=3 621 B8R1.3 O=C1CCS(=O)CC1 Z826531086 [0,1,0,0,0,1|0,0,0]=2 622 B8R1.3 O=C1CNC(=O)CN1 Z56854487 [0,1,0,0,0,1|1,0,1]=4 623 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,1,0,0,0,1|1,0,1]=4 624 B8R1.3 O=C1NCC(CN1)O Z1198163621 [0,1,0,0,0,1|1,0,0]=3 625 B8R1.3 OC1CCC(CC1)O Z1178486717 [0,1,0,0,0,1|0,0,2]=4 626 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,1,0,0,0,1|0,0,1]=3 627 B8R1.4 CC1=CC(CCC1)N Z3895215954 [0,1,0,0,0,1|1,0,0]=3 628 B8R1.4 CC1=CC(CCC1)O Z1255423437 [0,1,0,0,0,1|1,0,0]=3 629 B8R1.4 CC1=CC(CNC1)C Z1966484556 [0,1,0,0,0,1|1,0,1]=4 630 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,1,0,0,0,1|0,0,0]=2 631 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,1,0,0,0,1|0,0,0]=2 632 B8R1.4 CC1CC(CCN1)N Z3950506166 [0,1,0,0,0,1|1,0,1]=4 633 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,1,0,0,0,1|0,0,2]=4 634 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,1,0,0,0,1|0,0,0]=2 635 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,1,0,0,0,1|0,0,0]=2 636 B8R1.4 CC1CCCC(C1)N Z367450918 [0,1,0,0,0,1|1,0,1]=4 637 B8R1.4 CC1CCCC(N1)C Z104474330 [0,1,0,0,0,1|1,0,1]=4 638 B8R1.4 CC1CCN=C(N1)N Z3512513301 [0,1,0,0,0,1|2,0,0]=4 639 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,1,0,0,0,1|0,0,0]=2 640 B8R1.4 CC1CN(CCN1)C Z1162470821 [0,1,0,0,0,1|2,0,0]=4 641 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,1,0,0,0,1|1,0,0]=3 642 B8R1.4 CC1CNCC(C1)C Z104474332 [0,1,0,0,0,1|1,0,1]=4 643 B8R1.4 CC1CNCC(C1)O Z2255082098 [0,1,0,0,0,1|0,0,2]=4 644 B8R1.4 CC1CS(=O)CCN1 Z1227754708 [0,1,0,0,0,1|1,0,0]=3 645 B8R1.4 CN1CC(CCO1)O Z5948414894 [0,1,0,0,0,1|2,0,0]=4 646 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,1,0,0,0,1|0,0,0]=2 647 B8R1.4 CN1CCCC(C1)N Z600584196 [0,1,0,0,0,1|1,0,1]=4 648 B8R1.4 C[C@@H]1CCC[C@H](N1)C Z1925930354 [0,1,0,0,0,1|1,0,1]=4 649 B8R1.4 C[C@@H]1CCN[C@@H](C1)C Z2309899803 [0,1,0,0,0,1|1,0,1]=4 650 B8R1.4 C[C@@H]1CN(CCN1)C Z3379438692 [0,1,0,0,0,1|2,0,0]=4 651 B8R1.4 C[C@@H]1CNC[C@@H](C1)C Z2944520936 [0,1,0,0,0,1|1,0,1]=4 652 B8R1.4 C[C@@H]1CNC[C@@H](C1)O Z2301535259 [0,1,0,0,0,1|0,0,2]=4 653 B8R1.4 C[C@@H]1CNC[C@H](C1)O Z4073561603 [0,1,0,0,0,1|0,0,2]=4 654 B8R1.4 C[C@@H]1C[C@@H](CCN1)O Z2568671386 [0,1,0,0,0,1|0,0,2]=4 655 B8R1.4 C[C@@H]1C[C@H](CCO1)N Z4121905902 [0,1,0,0,0,1|1,0,1]=4 656 B8R1.4 C[C@H]1CCC[C@H](N1)C Z1203730759 [0,1,0,0,0,1|1,0,1]=4 657 B8R1.4 F[C@@H]1CNC[C@@H](C1)F Z4085231057 [0,1,0,0,0,1|1,0,1]=4 658 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [0,1,0,0,0,1|0,0,1]=3 659 B8R1.4 NC1CCCC(C1)O Z2724335128 [0,1,0,0,0,1|0,0,2]=4 660 B8R1.4 NC1CNCC(C1)O Z4465943159 [0,1,0,0,0,1|0,0,2]=4 661 B8R1.4 N[C@@H]1CNC[C@@H](C1)N Z3175310488 [0,1,0,0,0,1|1,0,1]=4 662 B8R1.4 N[C@H]1CCC[C@H](C1)O Z1203578804 [0,1,0,0,0,1|0,0,2]=4 663 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,0,0,1|0,0,0]=2 664 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [0,1,0,0,0,1|0,0,1]=3 665 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [0,1,0,0,0,1|1,0,1]=4 666 B8R1.4 O=C1CCSC(=O)N1 Z56871611 [0,1,0,0,0,1|1,0,1]=4 667 B8R1.4 O=C1COCC(=O)N1 Z802811418 [0,1,0,0,0,1|1,0,1]=4 668 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,1,0,0,0,1|1,0,1]=4 669 B8R1.4 O=C1CSCC(=O)C1 Z1255373195 [0,1,0,0,0,1|0,0,1]=3 670 B8R1.4 O[C@@H]1CNC[C@@H](C1)F Z2525157521 [0,1,0,0,0,1|0,0,2]=4 671 B8R1.4 O[C@@H]1CNC[C@@H](C1)O Z1310777672 [0,1,0,0,0,1|0,0,2]=4 672 B8R1.5 CC1=C(CCNC1)Br Z4428787505 [0,1,0,0,0,1|1,0,1]=4 673 B8R1.5 CC1=C(CNCC1)C Z1966489842 [0,1,0,0,0,1|1,0,1]=4 674 B8R1.5 CC1CCCCC1=O Z104477192 [0,1,0,0,0,1|0,0,0]=2 675 B8R1.5 CC1CCCCC1O Z104478402 [0,1,0,0,0,1|0,0,2]=4 676 B8R1.5 CC1CCCNC1=O Z1013766916 [0,1,0,0,0,1|0,0,0]=2 677 B8R1.5 CC1CCCNC1C Z959345762 [0,1,0,0,0,1|1,0,1]=4 678 B8R1.5 CC1CCNCC1N Z4351244628 [0,1,0,0,0,1|1,0,1]=4 679 B8R1.5 CC1CCOCC1N Z3035821495 [0,1,0,0,0,1|1,0,1]=4 680 B8R1.5 CC1CNCCC1=O Z1741969235 [0,1,0,0,0,1|0,0,0]=2 681 B8R1.5 CC1CNCCC1O Z1742055068 [0,1,0,0,0,1|0,0,2]=4 682 B8R1.5 CC1CNCCN1C Z2408371461 [0,1,0,0,0,1|2,0,0]=4 683 B8R1.5 CC1COCCC1=O Z1192338803 [0,1,0,0,0,1|0,0,0]=2 684 B8R1.5 CC1COCCC1N Z1868316869 [0,1,0,0,0,1|1,0,1]=4 685 B8R1.5 CC1COCCC1O Z1255390393 [0,1,0,0,0,1|0,0,2]=4 686 B8R1.5 CC1NCCCC1O Z2235409289 [0,1,0,0,0,1|0,0,2]=4 687 B8R1.5 CC1NCCNC1=O Z336079670 [0,1,0,0,0,1|1,0,0]=3 688 B8R1.5 CC1SCCCC1=O Z1359849054 [0,1,0,0,0,1|0,0,0]=2 689 B8R1.5 CC1SCCNC1=O Z1098219156 [0,1,0,0,0,1|1,0,0]=3 690 B8R1.5 CN1CCCN=C1N Z2865417319 [0,1,0,0,0,1|2,0,0]=4 691 B8R1.5 CN1CCNCC1=O Z1250100764 [0,1,0,0,0,1|1,0,0]=3 692 B8R1.5 CN1CNCNC1=O Z5130722475 [0,1,0,0,0,1|2,0,0]=4 693 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [0,1,0,0,0,1|0,0,2]=4 694 B8R1.5 C[C@@H]1CCNC[C@@H]1O Z2307368538 [0,1,0,0,0,1|0,0,2]=4 695 B8R1.5 C[C@@H]1NCCC[C@@H]1N Z5041247026 [0,1,0,0,0,1|1,0,1]=4 696 B8R1.5 C[C@@H]1NCCC[C@@H]1O Z2568757708 [0,1,0,0,0,1|0,0,2]=4 697 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [0,1,0,0,0,1|0,0,2]=4 698 B8R1.5 C[C@H]1CCCC[C@H]1N Z3244401660 [0,1,0,0,0,1|1,0,1]=4 699 B8R1.5 ClC1=C(CNCC1)Cl Z1572021773 [0,1,0,0,0,1|1,0,1]=4 700 B8R1.5 NC1CCCCC1=O Z2186882796 [0,1,0,0,0,1|0,0,0]=2 701 B8R1.5 NC1CCCCC1N Z104474510 [0,1,0,0,0,1|1,0,1]=4 702 B8R1.5 NC1CCCNC1=O Z993991168 [0,1,0,0,0,1|0,0,0]=2 703 B8R1.5 NC1CCOCC1O Z2688974552 [0,1,0,0,0,1|0,0,2]=4 704 B8R1.5 NN1CCCCC1=O Z976663668 [0,1,0,0,0,1|0,0,0]=2 705 B8R1.5 N[C@@H]1CCCC[C@@H]1F Z2724313717 [0,1,0,0,0,1|1,0,1]=4 706 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [0,1,0,0,0,1|0,0,2]=4 707 B8R1.5 N[C@@H]1COCC[C@H]1N Z4745609917 [0,1,0,0,0,1|1,0,1]=4 708 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [0,1,0,0,0,1|0,0,2]=4 709 B8R1.5 N[C@H]1CCCC[C@@H]1N Z1147137780 [0,1,0,0,0,1|1,0,1]=4 710 B8R1.5 N[C@H]1CCCC[C@H]1N Z1203577984 [0,1,0,0,0,1|1,0,1]=4 711 B8R1.5 O=C1CCCCC1=O Z90122041 [0,1,0,0,0,1|0,0,0]=2 712 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,1,0,0,0,1|0,0,0]=2 713 B8R1.5 O=C1NCCCC1F Z1203749514 [0,1,0,0,0,1|0,0,0]=2 714 B8R1.5 OC1CCCCC1O Z600453486 [0,1,0,0,0,1|0,0,2]=4 715 B8R1.5 OC1CCNCC1F Z1416168950 [0,1,0,0,0,1|0,0,2]=4 716 B8R1.5 OC1NCCCC1F Z3995268169 [0,1,0,0,0,1|0,0,2]=4 717 B8R1.5 O[C@@H]1CCCC[C@H]1O Z2240998867 [0,1,0,0,0,1|0,0,2]=4 718 B8R1.5 O[C@@H]1CNCC[C@H]1F Z2307343627 [0,1,0,0,0,1|0,0,2]=4 719 B8R1.72 CC1(CCCCC1)N Z752370810 [0,1,0,0,0,1|1,0,1]=4 720 B8R1.72 CC1(CCCCC1)O Z449370586 [0,1,0,0,0,1|0,0,2]=4 721 B8R1.72 CC1(CCCCN1)C Z3243651326 [0,1,0,0,0,1|1,0,1]=4 722 B8R1.72 CC1(CCCNC1)C Z1182379631 [0,1,0,0,0,1|1,0,1]=4 723 B8R1.72 CC1(CCCOC1)N Z1582263087 [0,1,0,0,0,1|1,0,1]=4 724 B8R1.72 CC1(CCNCC1)C Z1198394222 [0,1,0,0,0,1|1,0,1]=4 725 B8R1.72 CC1(CCNCC1)F Z2738358281 [0,1,0,0,0,1|1,0,1]=4 726 B8R1.72 CC1(CCNCC1)O Z1416200885 [0,1,0,0,0,1|0,0,2]=4 727 B8R1.72 FC1(CCCNC1)F Z1203161889 [0,1,0,0,0,1|1,0,1]=4 728 B8R1.72 FC1(CCNCC1)F Z1741959990 [0,1,0,0,0,1|1,0,1]=4 729 B8R1.72 N=S1(=O)CCCCC1 Z2941529962 [0,1,0,0,0,1|1,0,0]=3 730 B8R1.72 N=S1(=O)CCNCC1 Z4658857975 [0,1,0,0,0,1|1,0,0]=3 731 B8R1.72 N=S1(=O)CCOCC1 Z1198235499 [0,1,0,0,0,1|1,0,0]=3 732 B8R1.72 O=S1(=O)CCCCN1 Z1201622708 [0,1,0,0,0,1|1,0,0]=3 733 B8R1.72 O=S1(=O)CCNCC1 Z1263529638 [0,1,0,0,0,1|1,0,0]=3 734 B8R1.72 O=S1(=O)CCNCN1 Z1198155417 [0,1,0,0,0,1|2,0,0]=4 735 B8R1.72 O=S1(=O)CCOCC1 Z992614860 [0,1,0,0,0,1|1,0,0]=3 736 B8R1.72 O=S1(=O)NCCCN1 Z1551944962 [0,1,0,0,0,1|2,0,0]=4 737 B8R1.1 C#CC1CCC(C1)N Z3215421078 [0,2,0,0,0,0|1,0,1]=4 738 B8R1.1 C#CC1CCN(C1)C Z3305160768 [0,2,0,0,0,0|2,0,0]=4 739 B8R1.1 C#C[C@H]1CC[C@H](C1)N Z4607393601 [0,2,0,0,0,0|1,0,1]=4 740 B8R1.1 CC1CC(=NO1)C=O Z2732442537 [0,2,0,0,0,0|2,0,0]=4 741 B8R1.1 CC1CCC(C1)C=O Z1268606446 [0,2,0,0,0,0|0,0,1]=3 742 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,2,0,0,0,0|1,0,0]=3 743 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,2,0,0,0,0|1,0,0]=3 744 B8R1.1 CCN1CCC(C1)N Z415647776 [0,2,0,0,0,0|2,0,0]=4 745 B8R1.1 CN1CCC(C1)C#N Z1065764146 [0,2,0,0,0,0|2,0,0]=4 746 B8R1.1 CN1CCC(C1)CN Z317026942 [0,2,0,0,0,0|2,0,0]=4 747 B8R1.1 CN1CCC(C1)CO Z976730728 [0,2,0,0,0,0|2,0,0]=4 748 B8R1.1 CNC1CCN(C1)C Z2867580880 [0,2,0,0,0,0|2,0,0]=4 749 B8R1.1 COC1=CC(=O)CC1 Z871868704 [0,2,0,0,0,0|0,0,2]=4 750 B8R1.1 COC1CNC(=O)C1 Z1203749511 [0,2,0,0,0,0|1,0,0]=3 751 B8R1.1 CO[C@@H]1CC[C@H](C1)N Z3282728045 [0,2,0,0,0,0|0,0,2]=4 752 B8R1.1 CSC1CCC(C1)N Z1245790495 [0,2,0,0,0,0|0,1,1]=4 753 B8R1.1 N#CC1CCC(C1)O Z1258995690 [0,2,0,0,0,0|0,0,2]=4 754 B8R1.1 N#C[C@H]1CC[C@H](C1)N Z2375429659 [0,2,0,0,0,0|1,0,1]=4 755 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,2,0,0,0,0|1,0,0]=3 756 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,2,0,0,0,0|1,0,0]=3 757 B8R1.1 NCC1CCC(C1)F Z3074473433 [0,2,0,0,0,0|1,0,1]=4 758 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [0,2,0,0,0,0|2,0,0]=4 759 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,2,0,0,0,0|1,0,0]=3 760 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,2,0,0,0,0|2,0,0]=4 761 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,2,0,0,0,0|2,0,0]=4 762 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,2,0,0,0,0|2,0,0]=4 763 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,2,0,0,0,0|1,0,0]=3 764 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,2,0,0,0,0|1,0,0]=3 765 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,2,0,0,0,0|1,0,0]=3 766 B8R1.1 O=C1NCC(O1)CCl Z56346848 [0,2,0,0,0,0|2,0,0]=4 767 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,2,0,0,0,0|2,0,0]=4 768 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,2,0,0,0,0|0,0,1]=3 769 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,2,0,0,0,0|1,0,1]=4 770 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,2,0,0,0,0|1,0,1]=4 771 B8R1.7 CC(N)C1CCCC1 Z513797688 [0,2,0,0,0,0|1,0,1]=4 772 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [0,2,0,0,0,0|1,0,1]=4 773 B8R1.7 N=C(N)N1CCCC1 Z161313378 [0,2,0,0,0,0|2,0,0]=4 774 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,2,0,0,0,0|0,0,1]=3 775 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,2,0,0,0,0|1,0,1]=4 776 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,2,0,0,0,0|1,0,1]=4 777 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,2,0,0,0,0|1,0,1]=4 778 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,2,0,0,0,0|1,0,1]=4 779 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,2,0,0,0,0|1,0,0]=3 780 B8R1.7 NC(=S)N1CCCC1 Z55928944 [0,2,0,0,0,0|1,1,0]=4 781 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,2,0,0,0,0|0,0,1]=3 782 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,2,0,0,0,0|1,0,1]=4 783 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,2,0,0,0,0|1,0,1]=4 784 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,2,0,0,0,0|2,0,0]=4 785 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,2,0,0,0,0|0,0,1]=3 786 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,2,0,0,0,0|1,0,1]=4 787 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,2,0,0,0,0|1,0,1]=4 788 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,2,0,0,0,0|1,0,1]=4 789 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,2,0,0,0,0|1,0,1]=4 790 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,2,0,0,0,0|1,0,1]=4 791 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,2,0,0,0,0|1,0,1]=4 792 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,2,0,0,0,0|1,0,1]=4 793 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,2,0,0,0,0|1,0,1]=4 794 B8R1.7 OB(O)C1=CCCC1 Z1201621640 [0,2,0,0,0,0|0,0,2]=4 795 B8R1.7 OB(O)C1CCCC1 Z1147227731 [0,2,0,0,0,0|0,0,2]=4 796 B8R1.7 S=C(S)N1CCCC1 Z56946833 [0,2,0,0,0,0|1,1,0]=4 797 B8R1.8 C#CCN1CCCC1 Z1511513967 [0,2,0,0,0,0|2,0,0]=4 798 B8R1.8 CC/C=C\1/CCNC1 Z1353044913 [0,2,0,0,0,0|2,0,0]=4 799 B8R1.8 CCCN1CCCC1 Z4634999686 [0,2,0,0,0,0|2,0,0]=4 800 B8R1.8 CCNC1CCCC1 Z90513159 [0,2,0,0,0,0|1,0,1]=4 801 B8R1.8 CNCC1CCCC1 Z1162448850 [0,2,0,0,0,0|1,0,1]=4 802 B8R1.8 ClCCN1CCCC1 Z104489566 [0,2,0,0,0,0|2,0,0]=4 803 B8R1.8 N#C/N=C\1/CCCN1 Z55927856 [0,2,0,0,0,0|2,0,0]=4 804 B8R1.8 N#CCC1CCCC1 Z804898574 [0,2,0,0,0,0|1,0,1]=4 805 B8R1.8 N#CCN1CCCC1 Z168893456 [0,2,0,0,0,0|2,0,0]=4 806 B8R1.8 NCCC1CCCC1 Z398556750 [0,2,0,0,0,0|1,0,1]=4 807 B8R1.8 NCCN1CCCC1 Z812516900 [0,2,0,0,0,0|2,0,0]=4 808 B8R1.8 O=C=NC1CCCC1 Z316172554 [0,2,0,0,0,0|0,0,1]=3 809 B8R1.8 O=CCC1CCCC1 Z993017732 [0,2,0,0,0,0|0,0,1]=3 810 B8R1.8 O=CCC1CCCO1 Z1183458964 [0,2,0,0,0,0|1,0,1]=4 811 B8R1.8 O=CCC1CCOC1 Z1138844345 [0,2,0,0,0,0|1,0,1]=4 812 B8R1.8 OCCC1CCCC1 Z397587408 [0,2,0,0,0,0|0,0,2]=4 813 B8R1.8 OCCN1CCCC1 Z104477730 [0,2,0,0,0,0|1,0,1]=4 814 B8R1.11 C#CC1CCCN1C Z3668963393 [0,2,0,0,0,0|2,0,0]=4 815 B8R1.11 C=CN1CCCC1=O Z104475034 [0,2,0,0,0,0|1,0,0]=3 816 B8R1.11 C=C[C@@H]1CCC[C@H]1O Z3015056914 [0,2,0,0,0,0|0,0,2]=4 817 B8R1.11 CC1CCCC1C#N Z1258611152 [0,2,0,0,0,0|1,0,1]=4 818 B8R1.11 CC1CCCC1C=O Z1268606470 [0,2,0,0,0,0|0,0,1]=3 819 B8R1.11 CC1OCCC1C=O Z1342837783 [0,2,0,0,0,0|1,0,1]=4 820 B8R1.11 CCC1CCCC1=O Z813018310 [0,2,0,0,0,0|0,0,0]=2 821 B8R1.11 CCC1CCCC1N Z813018518 [0,2,0,0,0,0|1,0,1]=4 822 B8R1.11 CCC1CCNC1=O Z1203732458 [0,2,0,0,0,0|1,0,0]=3 823 B8R1.11 CCN1CCCC1=O Z1255438420 [0,2,0,0,0,0|1,0,0]=3 824 B8R1.11 CCN1CCNC1=O Z1179328150 [0,2,0,0,0,0|2,0,0]=4 825 B8R1.11 CN1CCCC1CN Z326202522 [0,2,0,0,0,0|2,0,0]=4 826 B8R1.11 COC1CCCC1O Z854223428 [0,2,0,0,0,0|0,0,2]=4 827 B8R1.11 CO[C@@H]1CCC[C@@H]1N Z3847443224 [0,2,0,0,0,0|0,0,2]=4 828 B8R1.11 CO[C@@H]1CCC[C@H]1N Z2235777878 [0,2,0,0,0,0|0,0,2]=4 829 B8R1.11 CO[C@@H]1CCC[C@H]1O Z2286637815 [0,2,0,0,0,0|0,0,2]=4 830 B8R1.11 CO[C@H]1CCC[C@@H]1N Z905269870 [0,2,0,0,0,0|0,0,2]=4 831 B8R1.11 CO[C@H]1CCC[C@@H]1O Z1162417007 [0,2,0,0,0,0|0,0,2]=4 832 B8R1.11 CSC1CCCC1N Z1203642543 [0,2,0,0,0,0|0,1,1]=4 833 B8R1.11 N#CC1=C(CCC1)N Z221425808 [0,2,0,0,0,0|1,0,1]=4 834 B8R1.11 N#CC1CCCC1=O Z951172672 [0,2,0,0,0,0|0,0,0]=2 835 B8R1.11 N#CC1CCCC1N Z985148518 [0,2,0,0,0,0|1,0,1]=4 836 B8R1.11 N#CC1CCCC1O Z409438998 [0,2,0,0,0,0|0,0,2]=4 837 B8R1.11 NCC1CCCC1N Z951173802 [0,2,0,0,0,0|1,0,1]=4 838 B8R1.11 NCC1CCCC1O Z409444212 [0,2,0,0,0,0|0,0,2]=4 839 B8R1.11 NN[C@@H]1CCC[C@H]1O Z2350387396 [0,2,0,0,0,0|0,0,2]=4 840 B8R1.11 N[C@H]1CCC[C@H]1CO Z1198220662 [0,2,0,0,0,0|0,0,2]=4 841 B8R1.11 O=C1CCCN1CO Z56755633 [0,2,0,0,0,0|1,0,0]=3 842 B8R1.11 O=C1NCCC1CO Z1203746842 [0,2,0,0,0,0|1,0,0]=3 843 B8R1.52 C#CC1(CCCC1)N Z2785867970 [0,2,0,0,0,0|1,0,1]=4 844 B8R1.52 C#CC1(CCCC1)O Z57953034 [0,2,0,0,0,0|0,0,2]=4 845 B8R1.52 C=CC1(CCCC1)N Z3042074267 [0,2,0,0,0,0|1,0,1]=4 846 B8R1.52 CC1(CCCC1)C=O Z1255466724 [0,2,0,0,0,0|0,0,1]=3 847 B8R1.52 CC1(CCCC1)CN Z56757289 [0,2,0,0,0,0|1,0,1]=4 848 B8R1.52 CC1(CCCC1)CO Z1255466752 [0,2,0,0,0,0|0,0,2]=4 849 B8R1.52 CC1(CCCO1)C=O Z1389061333 [0,2,0,0,0,0|1,0,1]=4 850 B8R1.52 CC1(CCCS1)C=O Z1455206494 [0,2,0,0,0,0|1,0,1]=4 851 B8R1.52 CC1(CCOC1)C=O Z1511835334 [0,2,0,0,0,0|1,0,1]=4 852 B8R1.52 CCC1(CCCC1)N Z2235330317 [0,2,0,0,0,0|1,0,1]=4 853 B8R1.52 CNC1(CCCC1)C Z1895741267 [0,2,0,0,0,0|1,0,1]=4 854 B8R1.52 N#CC1(CCCC1)O Z419078448 [0,2,0,0,0,0|0,0,2]=4 855 B8R1.52 NC1(CCCC1)CO Z734150968 [0,2,0,0,0,0|0,0,2]=4 856 B8R1.52 NCC1(CCCC1)Cl Z1262684076 [0,2,0,0,0,0|1,0,1]=4 857 B8R1.52 NCC1(CCCC1)N Z1198107484 [0,2,0,0,0,0|1,0,1]=4 858 B8R1.52 NCC1(CCCC1)O Z330827814 [0,2,0,0,0,0|0,0,2]=4 859 B8R1.52 O=CC1(CCCC1)Br Z1511865834 [0,2,0,0,0,0|0,0,1]=3 860 B8R1.52 OCC1(CCCC1)O Z1258947137 [0,2,0,0,0,0|0,0,2]=4 861 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,2,0,0,0,0|1,0,1]=4 862 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,2,0,0,0,0|1,0,0]=3 863 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [0,2,0,0,0,0|1,0,0]=3 864 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,2,0,0,0,0|1,0,0]=3 865 B8R1.18 CN1CC(C(=O)N1)N Z1332661939 [0,2,0,0,0,0|2,0,0]=4 866 B8R1.18 CN1CC(CC1=O)O Z1201051099 [0,2,0,0,0,0|1,0,0]=3 867 B8R1.18 NC1CC(=O)N(C1)O Z3806274909 [0,2,0,0,0,0|1,0,0]=3 868 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [0,2,0,0,0,0|1,0,1]=4 869 B8R1.18 NC1C[C@@H]([C@@H](C1)O)O Z2830494512 [0,2,0,0,0,0|0,0,2]=4 870 B8R1.18 N[C@@H]1C[C@@H](C[C@H]1O)O Z3576076783 [0,2,0,0,0,0|0,0,2]=4 871 B8R1.18 N[C@H]1C[C@@H]([C@@H](C1)N)N Z4512888469 [0,2,0,0,0,0|1,0,1]=4 872 B8R1.18 N[C@H]1C[C@@H]([C@@H](C1)O)O Z1262685736 [0,2,0,0,0,0|0,0,2]=4 873 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [0,2,0,0,0,0|0,0,2]=4 874 B8R1.50 CC1C(=O)CCC1=O Z104503660 [0,2,0,0,0,0|0,0,1]=3 875 B8R1.50 CC1CCC(C1N)C Z1357774290 [0,2,0,0,0,0|1,0,1]=4 876 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,2,0,0,0,0|1,0,0]=3 877 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,2,0,0,0,0|2,0,0]=4 878 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,2,0,0,0,0|1,0,0]=3 879 B8R1.50 CN1CCN(C1=O)C Z56755571 [0,2,0,0,0,0|2,0,0]=4 880 B8R1.50 CN1OCC(C1=O)N Z4252149149 [0,2,0,0,0,0|2,0,0]=4 881 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,2,0,0,0,0|1,0,0]=3 882 B8R1.50 O=C1CCC(=O)N1O Z56933833 [0,2,0,0,0,0|1,0,1]=4 883 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [0,2,0,0,0,0|1,0,0]=3 884 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,2,0,0,0,0|1,0,0]=3 885 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [0,2,0,0,0,0|2,0,0]=4 886 B8R1.51 CC1CCC(C1)(C)N Z4358474993 [0,2,0,0,0,0|1,0,1]=4 887 B8R1.51 CC1CNS(=O)(=O)C1 Z1575095016 [0,2,0,0,0,0|2,0,0]=4 888 B8R1.51 CN1CCC(C1)(C)N Z2805881504 [0,2,0,0,0,0|2,0,0]=4 889 B8R1.51 NC1CCS(=O)(=O)C1 Z56998603 [0,2,0,0,0,0|1,0,0]=3 890 B8R1.51 O=S1(=O)CCC(C1)O Z57161902 [0,2,0,0,0,0|1,0,0]=3 891 B8R1.19 CC1(CCCC1=O)C Z1238544226 [0,2,0,0,0,0|0,0,0]=2 892 B8R1.19 CC1(CCNC1=O)C Z1201628732 [0,2,0,0,0,0|1,0,0]=3 893 B8R1.19 CC1(CCNC1=O)N Z2718904456 [0,2,0,0,0,0|1,0,0]=3 894 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,2,0,0,0,0|1,0,0]=3 895 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,2,0,0,0,0|1,0,0]=3 896 B8R1.19 CC1(COCC1=O)C Z1513611826 [0,2,0,0,0,0|1,0,0]=3 897 B8R1.19 CC1(NCCC1=O)C Z3235143689 [0,2,0,0,0,0|1,0,0]=3 898 B8R1.19 CC1CCCC1(C)N Z1509036056 [0,2,0,0,0,0|1,0,1]=4 899 B8R1.19 C[C@]1(CCC[C@H]1O)O Z3037315217 [0,2,0,0,0,0|0,0,2]=4 900 B6R1.8 C=C1CC1CN Z3454021936 [0,0,1,1,0,0|2,0,0]=4 901 B6R1.11 CC(N)C1CC1 Z89283349 [0,0,1,1,0,0|1,0,1]=4 902 B6R1.11 N=C(N)C1CC1 Z935140732 [0,0,1,1,0,0|2,0,0]=4 903 B6R1.11 O=S([O-])C1CC1 Z1741965693 [0,0,1,1,0,0|2,0,0]=4 904 B6R1.1 C1=CCCCC1 Z104474726 [0,0,1,1,0,0|1,0,0]=3 905 B6R1.1 C1=CCNCC1 Z1623864216 [0,0,1,1,0,0|2,0,0]=4 906 B6R1.1 C1=NCCCN1 Z1198163087 [0,0,1,1,0,0|2,0,0]=4 907 B6R1.1 C1CCONC1 Z1787355355 [0,0,1,1,0,0|1,0,1]=4 908 B6R1.7 CCC1(CC1)N Z2234631229 [0,0,1,1,0,0|1,0,1]=4 909 B6R1.12 C[C@H]1C([C@@H]1C)N Z4052355194 [0,0,1,1,0,0|1,0,1]=4 910 B6R1.12 C[C@H]1[C@H]([C@@H]1N)C Z3847494912 [0,0,1,1,0,0|1,0,1]=4 911 B8R2.2 C[C@@]12CNC[C@@H]1C2 Z2961068041 [0,0,0,1,0,1|1,0,1]=4 912 B8R2.2 C[C@]12CCC[C@H]1O2 Z4597543898 [0,0,0,1,0,1|1,0,1]=4 913 B8R2.2 NC12CSCC1C2 Z5976232934 [0,0,0,1,0,1|1,0,1]=4 914 B8R2.2 N[C@@]12CCC[C@@H]1C2 Z2896162962 [0,0,0,1,0,1|1,0,1]=4 915 B8R2.2 N[C@@]12COC[C@@H]1C2 Z2755982948 [0,0,0,1,0,1|1,0,1]=4 916 B8R2.5 NC1CC2C1CC2 Z4081406539 [0,0,0,1,0,1|1,0,1]=4 917 B8R2.5 O=C1N[C@H]2[C@@H]1C=C2 Z3678520407 [0,0,0,1,0,1|0,0,2]=4 918 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,1,0,1|0,0,0]=2 919 B8R2.11 C[C@H]1[C@H]2[C@@H]1CNC2 Z2740752678 [0,0,0,1,0,1|1,0,1]=4 920 B8R2.11 NC1[C@@H]2[C@H]1CCC2 Z1891701563 [0,0,0,1,0,1|1,0,1]=4 921 B8R2.25 C1CC2CC2CN1 Z2568751757 [0,0,0,1,0,1|1,0,1]=4 922 B8R2.25 C1CC2OC2CO1 Z440605384 [0,0,0,1,0,1|0,0,2]=4 923 B8R2.25 C1CCC2OC2C1 Z239871664 [0,0,0,1,0,1|0,0,2]=4 924 B8R2.25 C1CNC2CC2C1 Z2429425564 [0,0,0,1,0,1|1,0,1]=4 925 B8R2.34 C1CC2CC1CN2 Z744843462 [0,0,0,1,0,1|1,0,1]=4 926 B8R2.34 C1CC2CCC1N2 Z235340117 [0,0,0,1,0,1|1,0,1]=4 927 B8R2.38 N[C@@H]1CC[C@H]2[C@@H]1C2 Z5104202649 [0,0,0,1,0,1|1,0,1]=4 928 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,1,0,1|0,0,0]=2 929 B8R2.22 C1CC2CNC2C1 Z372839324 [0,1,0,1,0,0|1,0,1]=4 930 B8R2.55 C1CCC2(C1)CO2 Z1020680028 [0,1,0,1,0,0|0,0,2]=4 931 B8R2.7 NC12CCC(C1)C2 Z2583439654 [0,1,0,1,0,0|1,0,1]=4 932 B8R1.22 CC1CCCCNC1 Z1723849152 [0,0,0,0,0,2|1,0,1]=4 933 B8R1.22 CC1CCCNCC1 Z425362298 [0,0,0,0,0,2|1,0,1]=4 934 B8R1.22 CC1CCNCCN1 Z3006266627 [0,0,0,0,0,2|1,0,1]=4 935 B8R1.22 CC1CCNCCO1 Z2855997854 [0,0,0,0,0,2|1,0,1]=4 936 B8R1.22 CC1CCNCCS1 Z1270499064 [0,0,0,0,0,2|1,0,1]=4 937 B8R1.22 CC1CCOCCN1 Z2940715295 [0,0,0,0,0,2|1,0,1]=4 938 B8R1.22 CC1CCSCCN1 Z1839475384 [0,0,0,0,0,2|1,0,1]=4 939 B8R1.22 CC1CNCCCN1 Z1203732447 [0,0,0,0,0,2|1,0,1]=4 940 B8R1.22 CC1CNCCCO1 Z425722880 [0,0,0,0,0,2|1,0,1]=4 941 B8R1.22 CC1CNCCOC1 Z1216819166 [0,0,0,0,0,2|1,0,1]=4 942 B8R1.22 CC1CNCCSC1 Z1270496770 [0,0,0,0,0,2|1,0,1]=4 943 B8R1.22 CC1COCCCN1 Z1216819161 [0,0,0,0,0,2|1,0,1]=4 944 B8R1.22 CC1CSCCCN1 Z2895198847 [0,0,0,0,0,2|1,0,1]=4 945 B8R1.22 CN1CCCNCC1 Z104479254 [0,0,0,0,0,2|2,0,0]=4 946 B8R1.22 FC1CCCNCC1 Z1255416656 [0,0,0,0,0,2|1,0,1]=4 947 B8R1.22 FC1CNCCOC1 Z4924614783 [0,0,0,0,0,2|1,0,1]=4 948 B8R1.22 NC1CCC=CCC1 Z2824346881 [0,0,0,0,0,2|1,0,1]=4 949 B8R1.22 NC1CCCCCC1 Z104477488 [0,0,0,0,0,2|1,0,1]=4 950 B8R1.22 NC1CCCSCC1 Z3102941972 [0,0,0,0,0,2|1,0,1]=4 951 B8R1.22 NC1COCCOC1 Z1463350443 [0,0,0,0,0,2|1,0,1]=4 952 B8R1.22 NC1CSCCSC1 Z4628238517 [0,0,0,0,0,2|1,0,1]=4 953 B8R1.22 O=C1CCCCCC1 Z104473100 [0,0,0,0,0,2|0,0,0]=2 954 B8R1.22 O=C1CCNCCN1 Z119989554 [0,0,0,0,0,2|0,0,0]=2 955 B8R1.22 O=C1CCOCCN1 Z821098578 [0,0,0,0,0,2|0,0,0]=2 956 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,0,0,0,0,2|0,0,0]=2 957 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,0,0,0,0,2|0,0,0]=2 958 B8R1.22 O=C1COCCCN1 Z1203733065 [0,0,0,0,0,2|0,0,0]=2 959 B8R1.22 OC1CCCNCC1 Z1198309797 [0,0,0,0,0,2|0,0,2]=4 960 B8R1.22 OC1CNCCOC1 Z2234631219 [0,0,0,0,0,2|0,0,2]=4