0 B6R1.2 C=C1CCNC1 Z3019986853 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 C=C1CNOC1 Z3037884222 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 CC1=CC=CO1 Z104472456 [0,0,0,0,0,0|1,0,3]=4 3 B6R1.2 CC1=CCNC1 Z1203734447 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 CC1=CN=CO1 Z1198180653 [0,0,0,0,0,0|2,0,2]=4 5 B6R1.2 CC1=NCCN1 Z204020260 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 CC1=NCCS1 Z104480256 [0,0,0,0,0,0|2,1,0]=3 7 B6R1.2 CC1CCCN1 Z1274177652 [0,0,0,0,0,0|2,0,1]=3 8 B6R1.2 CC1CCNC1 Z729771722 [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 FC1CCNC1 Z1139751347 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.2 N=C1CCCN1 Z204007506 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 NC1=CC=NO1 Z415654518 [0,0,0,0,0,0|2,0,2]=4 12 B6R1.2 NC1=NC=CO1 Z939904646 [0,0,0,0,0,0|2,0,2]=4 13 B6R1.2 NC1=NCCO1 Z336087916 [0,0,0,0,0,0|2,0,0]=2 14 B6R1.2 NC1=NN=CO1 Z277559304 [0,0,0,0,0,0|3,0,1]=4 15 B6R1.2 NC1=NNCC1 Z1569708704 [0,0,0,0,0,0|3,0,0]=3 16 B6R1.2 NC1C=CCC1 Z2679312470 [0,0,0,0,0,0|2,0,2]=4 17 B6R1.2 NC1CCOC1 Z802544198 [0,0,0,0,0,0|3,0,1]=4 18 B6R1.2 NC1CCSC1 Z1267885911 [0,0,0,0,0,0|3,0,1]=4 19 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [0,0,0,0,0,0|2,0,2]=4 20 B6R1.2 O=C1C=CCO1 Z1219048777 [0,0,0,0,0,0|0,0,2]=2 21 B6R1.2 O=C1C=CNN1 Z1198154338 [0,0,0,0,0,0|2,0,2]=4 22 B6R1.2 O=C1C=CSN1 Z1741980421 [0,0,0,0,0,0|2,0,2]=4 23 B6R1.2 O=C1CCCN1 Z104472846 [0,0,0,0,0,0|1,0,0]=1 24 B6R1.2 O=C1CCNC1 Z1741976513 [0,0,0,0,0,0|2,0,0]=2 25 B6R1.2 O=C1CCNN1 Z2935001239 [0,0,0,0,0,0|2,0,0]=2 26 B6R1.2 O=C1CCSC1 Z104495638 [0,0,0,0,0,0|2,0,0]=2 27 B6R1.2 O=C1NC=CN1 Z1198148260 [0,0,0,0,0,0|2,0,2]=4 28 B6R1.2 O=C1NC=CS1 Z445210514 [0,0,0,0,0,0|1,1,2]=4 29 B6R1.2 O=C1NCCN1 Z104494954 [0,0,0,0,0,0|2,0,0]=2 30 B6R1.2 O=C1NCCO1 Z104474784 [0,0,0,0,0,0|1,0,0]=1 31 B6R1.2 O=C1NCCS1 Z55928860 [0,0,0,0,0,0|1,1,0]=2 32 B6R1.2 O=C1OCCO1 Z1172235744 [0,0,0,0,0,0|1,0,0]=1 33 B6R1.2 O=S1CCCC1 Z278052312 [0,0,0,0,0,0|2,0,0]=2 34 B6R1.2 OC1C=CCC1 Z1255485846 [0,0,0,0,0,0|1,0,3]=4 35 B6R1.2 OC1CCOC1 Z1124541349 [0,0,0,0,0,0|2,0,2]=4 36 B6R1.2 OC1CCSC1 Z335244836 [0,0,0,0,0,0|2,0,2]=4 37 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [0,0,0,0,0,0|2,0,2]=4 38 B6R1.2 O[C@H]1CCNC1 Z1263714116 [0,0,0,0,0,0|2,0,2]=4 39 B6R1.2 SC1=NCCN1 Z104497392 [0,0,0,0,0,0|2,1,0]=3 40 B5R1.1 C1=CCNC1 Z2306624771 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.1 BrCC1CCCO1 Z90660999 [0,1,0,0,0,0|1,0,1]=3 42 B7R1.1 C#CC1CCCN1 Z1203832764 [0,1,0,0,0,0|2,0,1]=4 43 B7R1.1 CCC1CCCN1 Z281773802 [0,1,0,0,0,0|2,0,1]=4 44 B7R1.1 CNC1=NCCN1 Z3072981652 [0,1,0,0,0,0|3,0,0]=4 45 B7R1.1 CNC1=NCCS1 Z744843656 [0,1,0,0,0,0|2,1,0]=4 46 B7R1.1 CNC1CCCC1 Z102766802 [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 CSC1=NCCN1 Z56790627 [0,1,0,0,0,0|2,1,0]=4 49 B7R1.1 ClCC1CCCO1 Z56893271 [0,1,0,0,0,0|1,0,1]=3 50 B7R1.1 FCC1CCCN1 Z2216711551 [0,1,0,0,0,0|2,0,1]=4 51 B7R1.1 N#CC1CCCC1 Z285131394 [0,1,0,0,0,0|2,0,1]=4 52 B7R1.1 N#CC1CCCO1 Z1079178976 [0,1,0,0,0,0|1,0,1]=3 53 B7R1.1 N#CC1CCCS1 Z1201681638 [0,1,0,0,0,0|1,1,1]=4 54 B7R1.1 NCC1=NCCN1 Z2714784585 [0,1,0,0,0,0|3,0,0]=4 55 B7R1.1 NCC1=NOCC1 Z3217343112 [0,1,0,0,0,0|3,0,0]=4 56 B7R1.1 NCC1CCCC1 Z367452206 [0,1,0,0,0,0|2,0,1]=4 57 B7R1.1 NCC1CCCS1 Z1201677924 [0,1,0,0,0,0|1,1,1]=4 58 B7R1.1 NCC1COCO1 Z2298138033 [0,1,0,0,0,0|2,0,1]=4 59 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [0,1,0,0,0,0|2,0,1]=4 60 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [0,1,0,0,0,0|2,0,1]=4 61 B7R1.1 NNC1CCCC1 Z285139110 [0,1,0,0,0,0|2,0,1]=4 62 B7R1.1 O=CC1=CC=CO1 Z57161925 [0,1,0,0,0,0|0,0,3]=4 63 B7R1.1 O=CC1=CCCC1 Z1190318866 [0,1,0,0,0,0|1,0,0]=2 64 B7R1.1 O=CC1=CCSC1 Z57981092 [0,1,0,0,0,0|2,0,0]=3 65 B7R1.1 O=CC1CCCC1 Z875036058 [0,1,0,0,0,0|1,0,1]=3 66 B7R1.1 O=CC1CCOC1 Z199056102 [0,1,0,0,0,0|2,0,1]=4 67 B7R1.1 O=CC1CCSC1 Z1201681645 [0,1,0,0,0,0|2,0,1]=4 68 B7R1.1 O=CN1CCCC1 Z1255394997 [0,1,0,0,0,0|2,0,0]=3 69 B7R1.1 O=NN1CCOC1 Z1198157988 [0,1,0,0,0,0|3,0,0]=4 70 B7R1.1 OCC1CCCC1 Z397587414 [0,1,0,0,0,0|1,0,2]=4 71 B7R1.1 OCC1CCCN1 Z825308062 [0,1,0,0,0,0|1,0,2]=4 72 B7R1.1 OCC1CCCS1 Z1201679857 [0,1,0,0,0,0|0,1,2]=4 73 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [0,1,0,0,0,0|1,0,2]=4 74 B7R1.2 CC1=NNC(=O)C1 Z50145989 [0,1,0,0,0,0|2,0,1]=4 75 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [0,1,0,0,0,0|2,0,1]=4 76 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,1,0,0,0,0|2,0,0]=3 77 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,1,0,0,0,0|2,0,0]=3 78 B7R1.2 CC1CC(CN1)O Z1201051000 [0,1,0,0,0,0|2,0,1]=4 79 B7R1.2 CC1CC(CO1)N Z2418414350 [0,1,0,0,0,0|1,0,1]=3 80 B7R1.2 CC1CC(CS1)N Z1203639702 [0,1,0,0,0,0|1,1,1]=4 81 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,1,0,0,0,0|1,0,0]=2 82 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,1,0,0,0,0|0,0,0]=1 83 B7R1.2 CC1CCC(C1)O Z1233224917 [0,1,0,0,0,0|1,0,2]=4 84 B7R1.2 CC1CCC(N1)C Z1413780490 [0,1,0,0,0,0|2,0,1]=4 85 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,1,0,0,0,0|3,0,0]=4 86 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,1,0,0,0,0|2,0,0]=3 87 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,1,0,0,0,0|2,0,0]=3 88 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,1,0,0,0,0|1,0,0]=2 89 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,1,0,0,0,0|1,0,0]=2 91 B7R1.2 CC1CNC(C1)C Z1250222491 [0,1,0,0,0,0|2,0,1]=4 92 B7R1.2 CN1CCC(=N1)N Z1582262999 [0,1,0,0,0,0|3,0,0]=4 93 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,1,0,0,0,0|2,0,0]=3 94 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,1,0,0,0,0|2,0,0]=3 95 B7R1.2 C[C@H]1CC[C@H](N1)C Z3244812696 [0,1,0,0,0,0|2,0,1]=4 96 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,1,0,0,0,0|1,0,1]=3 97 B7R1.2 NC1=CCC(=O)N1 Z1203591710 [0,1,0,0,0,0|1,0,2]=4 98 B7R1.2 NC1=NC(=O)CS1 Z57104428 [0,1,0,0,0,0|2,0,1]=4 99 B7R1.2 NC1=NCC(=O)N1 Z203038534 [0,1,0,0,0,0|2,0,1]=4 100 B7R1.2 NC1CCS(=O)C1 Z1267860904 [0,1,0,0,0,0|2,0,0]=3 101 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,1,0,0,0,0|1,0,0]=2 102 B7R1.2 N[C@H]1CC[C@H](C1)N Z2752749810 [0,1,0,0,0,0|2,0,1]=4 103 B7R1.2 O=C1C=CC(=O)C1 Z1083219844 [0,1,0,0,0,0|1,0,2]=4 104 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [0,1,0,0,0,0|2,0,1]=4 105 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,1,0,0,0,0|1,0,0]=2 106 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,1,0,0,0,0|1,0,1]=3 107 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,1,0,0,0,0|0,0,1]=2 108 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,1,0,0,0,0|2,0,1]=4 109 B7R1.2 O=C1CNC(=S)N1 Z56900799 [0,1,0,0,0,0|2,0,1]=4 110 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,1,0,0,0,0|1,0,1]=3 111 B7R1.2 O=C1CSC(=O)N1 Z57131032 [0,1,0,0,0,0|1,1,1]=4 112 B7R1.2 O=C1CSC(=S)N1 Z57127468 [0,1,0,0,0,0|2,0,1]=4 113 B7R1.4 C=C1CCOC1=O Z1255438435 [0,1,0,0,0,0|0,0,1]=2 114 B7R1.4 C=C1COCC1N Z3066568668 [0,1,0,0,0,0|3,0,0]=4 115 B7R1.4 CC1=C(CNC1)C Z1203817906 [0,1,0,0,0,0|3,0,0]=4 116 B7R1.4 CC1CCCC1=O Z813018382 [0,1,0,0,0,0|1,0,0]=2 117 B7R1.4 CC1CCCC1N Z1219738990 [0,1,0,0,0,0|2,0,1]=4 118 B7R1.4 CC1CCNC1=O Z1198147219 [0,1,0,0,0,0|1,0,0]=2 119 B7R1.4 CC1CCNC1C Z1335657674 [0,1,0,0,0,0|2,0,1]=4 120 B7R1.4 CC1NCCC1=O Z2733314209 [0,1,0,0,0,0|2,0,0]=3 121 B7R1.4 CC1SCCC1N Z2408712737 [0,1,0,0,0,0|1,1,1]=4 122 B7R1.4 CN1C=COC1=O Z2732441923 [0,1,0,0,0,0|1,0,2]=4 123 B7R1.4 CN1CCCC1=O Z104478382 [0,1,0,0,0,0|1,0,0]=2 124 B7R1.4 CN1CCNC1=O Z336079928 [0,1,0,0,0,0|2,0,0]=3 125 B7R1.4 CN1CCSC1=N Z3242405392 [0,1,0,0,0,0|2,1,0]=4 126 B7R1.4 CN1CNCC1=O Z1601562352 [0,1,0,0,0,0|2,0,0]=3 127 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,1,0,0,0,0|2,0,1]=4 128 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,1,0,0,0,0|2,0,1]=4 129 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,1,0,0,0,0|2,0,1]=4 130 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,1,0,0,0,0|1,0,1]=3 131 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,0,0,0|0,0,0]=1 132 B7R1.4 NC1CCSC1=O Z56922158 [0,1,0,0,0,0|0,1,0]=2 133 B7R1.4 NC1CONC1=O Z336087816 [0,1,0,0,0,0|2,0,0]=3 134 B7R1.4 NN1CCOC1=O Z1198147716 [0,1,0,0,0,0|1,0,0]=2 135 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,1,0,0,0,0|1,0,2]=4 136 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [0,1,0,0,0,0|2,0,1]=4 137 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,1,0,0,0,0|1,0,2]=4 138 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,1,0,0,0,0|0,1,0]=2 139 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,1,0,0,0,0|2,0,0]=3 140 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,1,0,0,0,0|1,0,2]=4 141 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,1,0,0,0,0|0,1,0]=2 142 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,1,0,0,0,0|2,0,0]=3 143 B7R1.4 O=C1CCCC1Cl Z104492966 [0,1,0,0,0,0|1,0,0]=2 144 B7R1.4 O=C1NCCC1F Z1203745843 [0,1,0,0,0,0|1,0,0]=2 145 B7R1.4 OC1CCCC1O Z600452564 [0,1,0,0,0,0|1,0,2]=4 146 B7R1.14 CC1(CCCC1)O Z449370856 [0,1,0,0,0,0|1,0,2]=4 147 B7R1.14 CC1(CCCN1)C Z1259335892 [0,1,0,0,0,0|2,0,1]=4 148 B7R1.14 N=S1(=O)CCCC1 Z1862022759 [0,1,0,0,0,0|2,0,0]=3 149 B7R1.14 O=S1(=O)CCCN1 Z359508120 [0,1,0,0,0,0|2,0,0]=3 150 B5R0.1 C#CCC(=O)O Z295890060 [0,0,1,0,0,0|0,0,2]=3 151 B5R0.1 C/C=C/C(=O)O Z104476026 [0,0,1,0,0,0|0,0,2]=3 152 B5R0.1 C=C(C)CCN Z1203582475 [0,0,1,0,0,0|3,0,0]=4 153 B5R0.1 CC#CC(=O)N Z1203579284 [0,0,1,0,0,0|1,0,2]=4 154 B5R0.1 CC(=CCN)C Z1827897919 [0,0,1,0,0,0|3,0,0]=4 155 B5R0.1 CC(=O)CCO Z906206900 [0,0,1,0,0,0|2,0,0]=3 156 B5R0.1 CC(O)CCN Z802904114 [0,0,1,0,0,0|2,0,1]=4 157 B5R0.1 CC(O)CCO Z104473530 [0,0,1,0,0,0|2,0,1]=4 158 B5R0.1 CCCC(=N)N Z1198394172 [0,0,1,0,0,0|2,0,0]=3 159 B5R0.1 CCCC(=O)N Z33546461 [0,0,1,0,0,0|1,0,0]=2 160 B5R0.1 CCCC(=O)O Z104495380 [0,0,1,0,0,0|0,0,0]=1 161 B5R0.1 CCCC(C)N Z2417819590 [0,0,1,0,0,0|2,0,1]=4 162 B5R0.1 CCNC(=N)N Z2574931373 [0,0,1,0,0,0|3,0,0]=4 163 B5R0.1 CCOC(=N)N Z1741973543 [0,0,1,0,0,0|2,0,0]=3 164 B5R0.1 CCOC(=O)N Z33546369 [0,0,1,0,0,0|1,0,0]=2 165 B5R0.1 CCSC(=N)N Z1708092306 [0,0,1,0,0,0|2,1,0]=4 166 B5R0.1 CNCC(=O)N Z415678308 [0,0,1,0,0,0|2,0,0]=3 167 B5R0.1 CNCC(=O)O Z104480276 [0,0,1,0,0,0|1,0,0]=2 168 B5R0.1 CNCC(C)O Z138692700 [0,0,1,0,0,0|2,0,1]=4 169 B5R0.1 COCC(=N)N Z1258620054 [0,0,1,0,0,0|3,0,0]=4 170 B5R0.1 COCC(=O)N Z33546778 [0,0,1,0,0,0|2,0,0]=3 171 B5R0.1 COCC(=O)O Z104477404 [0,0,1,0,0,0|1,0,0]=2 172 B5R0.1 COCC(C)O Z825742124 [0,0,1,0,0,0|2,0,1]=4 173 B5R0.1 CS(=O)CCN Z802568576 [0,0,1,0,0,0|3,0,0]=4 174 B5R0.1 CSCC(=N)N Z1459934800 [0,0,1,0,0,0|3,0,0]=4 175 B5R0.1 CSCC(=O)N Z33545668 [0,0,1,0,0,0|2,0,0]=3 176 B5R0.1 CSCC(C)O Z732208306 [0,0,1,0,0,0|2,0,1]=4 177 B5R0.1 CSCS(=O)C Z1255438413 [0,0,1,0,0,0|3,0,0]=4 178 B5R0.1 C[C@@H](O)CCN Z1860991703 [0,0,1,0,0,0|2,0,1]=4 179 B5R0.1 N#CCC(=O)N Z56896153 [0,0,1,0,0,0|2,0,1]=4 180 B5R0.1 N#CCC(=O)O Z104476112 [0,0,1,0,0,0|1,0,1]=3 181 B5R0.1 N=C(N)CCO Z1198394167 [0,0,1,0,0,0|3,0,0]=4 182 B5R0.1 NC(=O)CCO Z431951940 [0,0,1,0,0,0|2,0,0]=3 183 B5R0.1 NCCC(=O)N Z415728050 [0,0,1,0,0,0|2,0,0]=3 184 B5R0.1 NCCC(=O)O Z57127544 [0,0,1,0,0,0|1,0,0]=2 185 B5R0.1 NOCC(=O)O Z90662171 [0,0,1,0,0,0|2,0,0]=3 186 B5R0.1 O=C(O)/C=C/I Z2327124440 [0,0,1,0,0,0|1,0,2]=4 187 B5R0.1 O=C(O)CCCl Z203045320 [0,0,1,0,0,0|1,0,0]=2 188 B5R0.1 O=C(O)CCS Z104474322 [0,0,1,0,0,0|1,0,0]=2 189 B5R0.1 O=C(O)CNO Z1205493750 [0,0,1,0,0,0|2,0,0]=3 190 B5R0.2 C#CCCCN Z1945700461 [0,0,1,0,0,0|2,0,1]=4 191 B5R0.2 C/C=C/CCN Z1268152372 [0,0,1,0,0,0|2,0,1]=4 192 B5R0.2 C/C=C/OCC Z281777810 [0,0,1,0,0,0|3,0,0]=4 193 B5R0.2 C=CCCC#N Z1219746591 [0,0,1,0,0,0|2,0,1]=4 194 B5R0.2 C=CCCCN Z993058434 [0,0,1,0,0,0|2,0,0]=3 195 B5R0.2 C=CCNCC Z2044769224 [0,0,1,0,0,0|3,0,0]=4 196 B5R0.2 CC#CCCO Z1033337288 [0,0,1,0,0,0|1,0,2]=4 197 B5R0.2 CCCCC=O Z104472992 [0,0,1,0,0,0|1,0,0]=2 198 B5R0.2 CCCCCN Z104472246 [0,0,1,0,0,0|2,0,1]=4 199 B5R0.2 CCCNCC Z138446288 [0,0,1,0,0,0|2,0,1]=4 200 B5R0.2 CCNCCO Z1258992395 [0,0,1,0,0,0|2,0,1]=4 201 B5R0.2 CCNOCC Z223690220 [0,0,1,0,0,0|2,0,1]=4 202 B5R0.2 CCOCCN Z271005962 [0,0,1,0,0,0|2,0,1]=4 203 B5R0.2 CCOCCO Z104473122 [0,0,1,0,0,0|2,0,1]=4 204 B5R0.2 CNCCCO Z104756980 [0,0,1,0,0,0|2,0,0]=3 205 B5R0.2 COCCCO Z431517702 [0,0,1,0,0,0|2,0,0]=3 206 B5R0.2 N#CCCCN Z1649677743 [0,0,1,0,0,0|2,0,1]=4 207 B5R0.2 N#CCCCO Z385458622 [0,0,1,0,0,0|1,0,1]=3 208 B5R0.2 NCCCCF Z2177031126 [0,0,1,0,0,0|2,0,1]=4 209 B5R0.2 NCCCCN Z104472592 [0,0,1,0,0,0|2,0,1]=4 210 B5R0.3 C/N=C(\C)/NC Z1431002714 [0,0,1,0,0,0|3,0,0]=4 211 B5R0.3 C/N=C(\N)/NC Z1089996530 [0,0,1,0,0,0|3,0,0]=4 212 B5R0.3 C/N=C(\N)/SC Z107728770 [0,0,1,0,0,0|2,1,0]=4 213 B5R0.3 C=C(CC)CN Z2238934536 [0,0,1,0,0,0|3,0,0]=4 214 B5R0.3 CC/C(=N/O)/N Z241067842 [0,0,1,0,0,0|3,0,0]=4 215 B5R0.3 CCC(=O)CC Z104476878 [0,0,1,0,0,0|1,0,0]=2 216 B5R0.3 CCC(=O)CN Z1203579016 [0,0,1,0,0,0|2,0,0]=3 217 B5R0.3 CCC(=O)NN Z56886418 [0,0,1,0,0,0|2,0,0]=3 218 B5R0.3 CCC(C)NC Z594038230 [0,0,1,0,0,0|2,0,1]=4 219 B5R0.3 CNC(=O)CCl Z56891219 [0,0,1,0,0,0|2,0,0]=3 220 B5R0.3 CNC(=O)CN Z57981102 [0,0,1,0,0,0|2,0,0]=3 221 B5R0.3 CNC(=O)CO Z431952700 [0,0,1,0,0,0|2,0,0]=3 222 B5R0.3 CNC(=O)CS Z1203730878 [0,0,1,0,0,0|2,0,0]=3 223 B5R0.3 COC(=O)CN Z57042020 [0,0,1,0,0,0|1,0,0]=2 224 B5R0.3 COC(C)CN Z1795817756 [0,0,1,0,0,0|2,0,1]=4 225 B5R0.3 COC(C)CO Z1198150719 [0,0,1,0,0,0|2,0,1]=4 226 B5R0.3 NCC(=O)CN Z1198147360 [0,0,1,0,0,0|3,0,0]=4 227 B5R0.3 O=C(CO)CO Z1255442144 [0,0,1,0,0,0|3,0,0]=4 228 B7R2.11 C1NC2CC1C2 Z3074473459 [0,0,0,1,0,0|2,0,1]=4 229 B7R2.13 C1CC2CC2N1 Z1964347529 [0,0,0,1,0,0|2,0,1]=4 230 B7R2.13 C1CC2OC2C1 Z255149904 [0,0,0,1,0,0|1,0,2]=4 231 B5R1.2 NC1CCC1 Z1266823158 [0,0,0,0,1,0|1,0,1]=3 232 B5R1.2 NC1COC1 Z317054188 [0,0,0,0,1,0|2,0,1]=4 233 B5R1.2 O=C1CCO1 Z1089877620 [0,0,0,0,1,0|0,0,0]=1 234 B5R1.2 OC1CNC1 Z1012638850 [0,0,0,0,1,0|1,0,2]=4 235 B5R1.2 OC1COC1 Z1123686553 [0,0,0,0,1,0|1,0,2]=4 236 B7R1.3 C=C1CCNCC1 Z1124146875 [0,0,0,0,0,1|2,0,0]=3 237 B7R1.3 CC1=CCCNC1 Z2143573194 [0,0,0,0,0,1|2,0,0]=3 238 B7R1.3 CC1CNCCN1 Z104480242 [0,0,0,0,0,1|2,0,1]=4 239 B7R1.3 CC1CNCCO1 Z204013884 [0,0,0,0,0,1|1,0,1]=3 240 B7R1.3 CC1CNCCS1 Z334686272 [0,0,0,0,0,1|1,1,1]=4 241 B7R1.3 CC1COCCN1 Z336087928 [0,0,0,0,0,1|2,0,1]=4 242 B7R1.3 CC1CSCCN1 Z334686282 [0,0,0,0,0,1|2,0,1]=4 243 B7R1.3 CN1CCNCC1 Z57834041 [0,0,0,0,0,1|3,0,0]=4 244 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [0,0,0,0,0,1|2,0,1]=4 245 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [0,0,0,0,0,1|2,0,1]=4 246 B7R1.3 FC1=CCCNC1 Z1570657372 [0,0,0,0,0,1|2,0,0]=3 247 B7R1.3 FC1CCNCC1 Z1741960061 [0,0,0,0,0,1|2,0,1]=4 248 B7R1.3 NC1=NCCCC1 Z1723418848 [0,0,0,0,0,1|2,0,0]=3 249 B7R1.3 NC1=NCCCN1 Z1259041088 [0,0,0,0,0,1|2,0,0]=3 250 B7R1.3 NC1=NCCCS1 Z2211231389 [0,0,0,0,0,1|1,1,0]=3 251 B7R1.3 NC1C=CCCC1 Z1203579654 [0,0,0,0,0,1|2,0,1]=4 252 B7R1.3 NC1CCCCC1 Z1945707495 [0,0,0,0,0,1|2,0,1]=4 253 B7R1.3 NC1CCCOC1 Z1013492300 [0,0,0,0,0,1|1,0,1]=3 254 B7R1.3 NC1CCCSC1 Z1029463244 [0,0,0,0,0,1|1,1,1]=4 255 B7R1.3 NC1CCOCC1 Z600428352 [0,0,0,0,0,1|2,0,1]=4 256 B7R1.3 NC1CCSCC1 Z992716928 [0,0,0,0,0,1|2,0,1]=4 257 B7R1.3 O=C1C=CCCC1 Z295197140 [0,0,0,0,0,1|1,0,0]=2 258 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,0,0,0,0,1|0,0,1]=2 259 B7R1.3 O=C1CCCCC1 Z104474256 [0,0,0,0,0,1|1,0,0]=2 260 B7R1.3 O=C1CCCCN1 Z168817684 [0,0,0,0,0,1|1,0,0]=2 261 B7R1.3 O=C1CCCCO1 Z432085120 [0,0,0,0,0,1|0,0,0]=1 262 B7R1.3 O=C1CCCCS1 Z1726147018 [0,0,0,0,0,1|0,1,0]=2 263 B7R1.3 O=C1CCCNC1 Z3063726909 [0,0,0,0,0,1|1,0,0]=2 264 B7R1.3 O=C1CCCNN1 Z1416174508 [0,0,0,0,0,1|1,0,0]=2 265 B7R1.3 O=C1CCCSC1 Z979714552 [0,0,0,0,0,1|0,1,0]=2 266 B7R1.3 O=C1CCNCC1 Z1741959513 [0,0,0,0,0,1|1,0,0]=2 267 B7R1.3 O=C1CNCCN1 Z56968535 [0,0,0,0,0,1|1,0,0]=2 268 B7R1.3 O=C1CSCCN1 Z337709368 [0,0,0,0,0,1|1,0,0]=2 269 B7R1.3 O=C1CSCSC1 Z1251333166 [0,0,0,0,0,1|1,1,0]=3 270 B7R1.3 O=C1NCCCN1 Z1203730774 [0,0,0,0,0,1|1,0,0]=2 271 B7R1.3 O=C1NCCCO1 Z1198312172 [0,0,0,0,0,1|0,0,0]=1 272 B7R1.3 O=C1NCNCN1 Z1255437058 [0,0,0,0,0,1|2,0,0]=3 273 B7R1.3 O=C1NNCCO1 Z2732442016 [0,0,0,0,0,1|1,0,0]=2 274 B7R1.3 O=S1CCNCC1 Z1263714072 [0,0,0,0,0,1|2,0,0]=3 275 B7R1.3 OC1CCCCC1 Z104473498 [0,0,0,0,0,1|1,0,2]=4 276 B7R1.3 OC1CCCSC1 Z993818972 [0,0,0,0,0,1|0,1,2]=4 277 B7R1.3 OC1CCNCC1 Z56347197 [0,0,0,0,0,1|1,0,2]=4 278 B7R1.3 OC1CCOCC1 Z1359429523 [0,0,0,0,0,1|1,0,2]=4 279 B7R1.3 OC1CNCCO1 Z1428160315 [0,0,0,0,0,1|0,0,2]=3 280 B7R1.3 OC1COCOC1 Z431564488 [0,0,0,0,0,1|1,0,2]=4 281 B7R1.3 S=C1NCNCN1 Z56756573 [0,0,0,0,0,1|2,1,0]=4 282 B4R0.1 C#CC(=O)O Z104493798 [1,0,1,0,0,0|0,0,2]=4 283 B4R0.1 C=CC(=O)O Z57127944 [1,0,1,0,0,0|0,0,2]=4 284 B4R0.1 CC(=O)C=O Z104495190 [1,0,1,0,0,0|1,0,1]=4 285 B4R0.1 CC(=O)CN Z1262398366 [1,0,1,0,0,0|1,0,0]=3 286 B4R0.1 CC(=O)NN Z58981787 [1,0,1,0,0,0|2,0,0]=4 287 B4R0.1 CC(=O)NO Z59181917 [1,0,1,0,0,0|2,0,0]=4 288 B4R0.1 CCC(=N)N Z1741969146 [1,0,1,0,0,0|2,0,0]=4 289 B4R0.1 CCC(=O)N Z33546482 [1,0,1,0,0,0|1,0,0]=3 290 B4R0.1 CCC(=O)O Z104474154 [1,0,1,0,0,0|0,0,0]=2 291 B4R0.1 CCC(=S)N Z241091446 [1,0,1,0,0,0|1,1,0]=4 292 B4R0.1 CCC(C)N Z104472234 [1,0,1,0,0,0|1,0,1]=4 293 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,1,0,0,0|0,0,2]=4 294 B4R0.1 CNC(=N)C Z2146515751 [1,0,1,0,0,0|2,0,0]=4 295 B4R0.1 CNC(=O)C Z32016274 [1,0,1,0,0,0|1,0,0]=3 296 B4R0.1 CNC(=O)N Z56932989 [1,0,1,0,0,0|2,0,0]=4 297 B4R0.1 COC(=N)N Z1741976783 [1,0,1,0,0,0|2,0,0]=4 298 B4R0.1 COC(=O)N Z104476722 [1,0,1,0,0,0|1,0,0]=3 299 B4R0.1 NC(=O)CF Z104475768 [1,0,1,0,0,0|2,0,0]=4 300 B4R0.1 NC(=O)CI Z1080376832 [1,0,1,0,0,0|2,0,0]=4 301 B4R0.1 NC(=O)CO Z424788508 [1,0,1,0,0,0|2,0,0]=4 302 B4R0.1 NCC(=O)N Z1262254285 [1,0,1,0,0,0|2,0,0]=4 303 B4R0.1 NCC(=O)O Z955123660 [1,0,1,0,0,0|1,0,0]=3 304 B4R0.1 O=C(O)CBr Z104473018 [1,0,1,0,0,0|1,0,0]=3 305 B4R0.1 O=C(O)CO Z104473274 [1,0,1,0,0,0|1,0,0]=3 306 B4R0.2 CCCC#N Z238878246 [1,0,1,0,0,0|1,0,1]=4 307 B4R0.2 CCCCN Z104474314 [1,0,1,0,0,0|1,0,1]=4 308 B4R0.2 CCCCO Z104473488 [1,0,1,0,0,0|0,0,1]=3 309 B4R0.2 CCCNN Z415728048 [1,0,1,0,0,0|2,0,0]=4 310 B4R0.2 COCCO Z104473522 [1,0,1,0,0,0|1,0,1]=4 311 B4R0.2 CSCCO Z149154880 [1,0,1,0,0,0|1,0,1]=4 312 B4R0.2 NCCCN Z104478068 [1,0,1,0,0,0|2,0,0]=4 313 B4R0.2 NCCCO Z56771034 [1,0,1,0,0,0|1,0,0]=3 314 B6R0.1 C#CC(=O)OCC Z104478880 [0,1,1,0,0,0|0,0,1]=3 315 B6R0.1 C#CCC(=O)OC Z1198160347 [0,1,1,0,0,0|0,0,2]=4 316 B6R0.1 CCC(=O)COC Z825742020 [0,1,1,0,0,0|2,0,0]=4 317 B6R0.1 CCCC(=O)CN Z1203579017 [0,1,1,0,0,0|1,0,0]=3 318 B6R0.1 CCCC(=O)NO Z59181937 [0,1,1,0,0,0|0,0,0]=2 319 B6R0.1 CCCC(O)CN Z419084742 [0,1,1,0,0,0|1,0,1]=4 320 B6R0.1 CCCN(C)N=O Z1198147496 [0,1,1,0,0,0|2,0,0]=4 321 B6R0.1 CCNC(=N)NC Z1357224692 [0,1,1,0,0,0|2,0,0]=4 322 B6R0.1 CCNC(=O)CN Z54747476 [0,1,1,0,0,0|1,0,0]=3 323 B6R0.1 CCNC(=O)CO Z431952024 [0,1,1,0,0,0|1,0,0]=3 324 B6R0.1 CCOC(=N)CC Z3033961910 [0,1,1,0,0,0|1,0,0]=3 325 B6R0.1 CCOC(=O)CN Z594038186 [0,1,1,0,0,0|0,0,0]=2 326 B6R0.1 CCOC(=O)CO Z385458066 [0,1,1,0,0,0|0,0,0]=2 327 B6R0.1 CCOC(=O)NN Z104478458 [0,1,1,0,0,0|1,0,0]=3 328 B6R0.1 CCOC(C)CN Z844631802 [0,1,1,0,0,0|1,0,1]=4 329 B6R0.1 CNC(=O)CCCl Z239813512 [0,1,1,0,0,0|2,0,0]=4 330 B6R0.1 CNC(=O)CCN Z425449754 [0,1,1,0,0,0|2,0,0]=4 331 B6R0.1 CNC(=O)CCO Z975909370 [0,1,1,0,0,0|2,0,0]=4 332 B6R0.1 CNCC(=O)NC Z57981096 [0,1,1,0,0,0|2,0,0]=4 333 B6R0.1 CNCC(=O)OC Z89264972 [0,1,1,0,0,0|1,0,0]=3 334 B6R0.1 CONC(=O)CCl Z234816732 [0,1,1,0,0,0|2,0,0]=4 335 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,1,1,0,0,0|0,0,2]=4 336 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,1,1,0,0,0|0,0,1]=3 337 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,1,1,0,0,0|0,0,2]=4 338 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,1,1,0,0,0|1,0,1]=4 339 B6R0.2 CC(=O)CC(C)N Z57329385 [0,1,1,0,0,0|1,0,0]=3 340 B6R0.2 CC(C)CB(O)O Z1098324138 [0,1,1,0,0,0|1,0,1]=4 341 B6R0.2 CC(C)CC(=N)N Z1346385639 [0,1,1,0,0,0|2,0,0]=4 342 B6R0.2 CC(C)CC(=O)N Z33546511 [0,1,1,0,0,0|1,0,0]=3 343 B6R0.2 CC(C)CC(=O)O Z104474910 [0,1,1,0,0,0|0,0,0]=2 344 B6R0.2 CC(C)NC(=O)N Z56887677 [0,1,1,0,0,0|2,0,0]=4 345 B6R0.2 CC(N)CC(=O)N Z594220690 [0,1,1,0,0,0|1,0,0]=3 346 B6R0.2 CC(N)CC(=O)O Z147647144 [0,1,1,0,0,0|0,0,0]=2 347 B6R0.2 CC(N)CS(=O)C Z1238793449 [0,1,1,0,0,0|2,0,0]=4 348 B6R0.2 CN(C)CC(=O)N Z54750057 [0,1,1,0,0,0|2,0,0]=4 349 B6R0.2 CN(C)CC(=O)O Z235580496 [0,1,1,0,0,0|1,0,0]=3 350 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,1,1,0,0,0|2,0,0]=4 351 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,1,1,0,0,0|0,0,0]=2 352 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,1,1,0,0,0|1,0,1]=4 353 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,1,1,0,0,0|1,0,1]=4 354 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,1,1,0,0,0|0,0,2]=4 355 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,1,1,0,0,0|1,0,1]=4 356 B6R0.3 CC(CN)C(=O)O Z431542704 [0,1,1,0,0,0|1,0,0]=3 357 B6R0.3 CC(CO)C(=O)O Z431541400 [0,1,1,0,0,0|1,0,0]=3 358 B6R0.3 CCC(C)C(=N)N Z823287482 [0,1,1,0,0,0|2,0,0]=4 359 B6R0.3 CCC(C)C(=O)N Z270978420 [0,1,1,0,0,0|1,0,0]=3 360 B6R0.3 CCC(C)C(=O)O Z237374874 [0,1,1,0,0,0|0,0,0]=2 361 B6R0.3 CCC(N)C(=O)O Z104495144 [0,1,1,0,0,0|0,0,0]=2 362 B6R0.3 CCC(O)C(=O)N Z965049008 [0,1,1,0,0,0|1,0,0]=3 363 B6R0.3 CCC(O)C(=O)O Z246073650 [0,1,1,0,0,0|0,0,0]=2 364 B6R0.3 CCC(O)C(C)O Z1251352132 [0,1,1,0,0,0|1,0,1]=4 365 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,1,1,0,0,0|0,0,0]=2 366 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,1,1,0,0,0|0,0,0]=2 367 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,1,1,0,0,0|0,0,0]=2 368 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,1,1,0,0,0|1,0,0]=3 369 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,1,1,0,0,0|2,0,0]=4 370 B6R0.3 COC(C)C(=O)C Z447898138 [0,1,1,0,0,0|2,0,0]=4 371 B6R0.3 COC(C)C(=O)N Z223645218 [0,1,1,0,0,0|2,0,0]=4 372 B6R0.3 COC(C)C(=O)O Z316258898 [0,1,1,0,0,0|1,0,0]=3 373 B6R0.3 CSC(C)C(=O)O Z149191750 [0,1,1,0,0,0|1,0,0]=3 374 B6R0.3 NC(CO)C(=O)O Z57396986 [0,1,1,0,0,0|1,0,0]=3 375 B6R0.3 NC(CS)C(=O)O Z966690626 [0,1,1,0,0,0|1,0,0]=3 376 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,1,1,0,0,0|1,0,0]=3 377 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,1,1,0,0,0|2,0,0]=4 378 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,1,1,0,0,0|1,0,0]=3 379 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,1,1,0,0,0|1,0,0]=3 380 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,1,1,0,0,0|1,0,0]=3 381 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,1,1,0,0,0|1,0,0]=3 382 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,1,1,0,0,0|1,0,1]=4 383 B6R0.4 C#CCCC(=O)O Z295890062 [0,1,1,0,0,0|0,0,1]=3 384 B6R0.4 C#CCNC(=O)C Z220957448 [0,1,1,0,0,0|1,0,1]=4 385 B6R0.4 C#CCOC(=O)N Z1203578973 [0,1,1,0,0,0|1,0,1]=4 386 B6R0.4 C=CCCC(=O)C Z406376894 [0,1,1,0,0,0|1,0,1]=4 387 B6R0.4 C=CCCC(=O)O Z995028722 [0,1,1,0,0,0|0,0,1]=3 388 B6R0.4 C=CCNC(=O)C Z32064466 [0,1,1,0,0,0|1,0,1]=4 389 B6R0.4 CC(=O)CCC#N Z1251352415 [0,1,1,0,0,0|1,0,1]=4 390 B6R0.4 CC(=O)NCCCl Z57983106 [0,1,1,0,0,0|1,0,0]=3 391 B6R0.4 CC(=O)OCCN Z1973465551 [0,1,1,0,0,0|0,0,0]=2 392 B6R0.4 CC(C)OCCN Z1688198421 [0,1,1,0,0,0|1,0,1]=4 393 B6R0.4 CC(C)OCCO Z104478444 [0,1,1,0,0,0|1,0,1]=4 394 B6R0.4 CC(O)CCCN Z1198178891 [0,1,1,0,0,0|1,0,1]=4 395 B6R0.4 CC/C=C/C(=O)O Z2311573931 [0,1,1,0,0,0|0,0,1]=3 396 B6R0.4 CCC#CC(=O)O Z1205493735 [0,1,1,0,0,0|0,0,1]=3 397 B6R0.4 CCCCB(O)O Z1147227739 [0,1,1,0,0,0|1,0,1]=4 398 B6R0.4 CCCCC(=N)N Z1723418909 [0,1,1,0,0,0|2,0,0]=4 399 B6R0.4 CCCCC(=O)N Z104476278 [0,1,1,0,0,0|1,0,0]=3 400 B6R0.4 CCCCC(=O)O Z104473312 [0,1,1,0,0,0|0,0,0]=2 401 B6R0.4 CCCNC(=O)C Z33030314 [0,1,1,0,0,0|1,0,0]=3 402 B6R0.4 CCCNC(=S)N Z56930715 [0,1,1,0,0,0|1,1,0]=4 403 B6R0.4 CCCOC(=O)N Z1198148877 [0,1,1,0,0,0|1,0,0]=3 404 B6R0.4 CCNCC(=O)N Z1459435506 [0,1,1,0,0,0|1,0,0]=3 405 B6R0.4 CCNCC(=O)O Z744593094 [0,1,1,0,0,0|0,0,0]=2 406 B6R0.4 CCNCC(C)O Z138692768 [0,1,1,0,0,0|1,0,1]=4 407 B6R0.4 CCOCC(=O)O Z104495232 [0,1,1,0,0,0|0,0,0]=2 408 B6R0.4 CCOCC(C)N Z839575202 [0,1,1,0,0,0|1,0,1]=4 409 B6R0.4 CNCCC(=O)C Z1536943318 [0,1,1,0,0,0|1,0,0]=3 410 B6R0.4 CNCCC(C)O Z1203731868 [0,1,1,0,0,0|1,0,1]=4 411 B6R0.4 COCCC(=N)N Z1592042674 [0,1,1,0,0,0|2,0,0]=4 412 B6R0.4 COCCC(=O)C Z362119682 [0,1,1,0,0,0|1,0,0]=3 413 B6R0.4 COCCC(=O)N Z394696458 [0,1,1,0,0,0|1,0,0]=3 414 B6R0.4 COCCC(=O)O Z285184634 [0,1,1,0,0,0|0,0,0]=2 415 B6R0.4 COCCC(C)O Z818738042 [0,1,1,0,0,0|1,0,1]=4 416 B6R0.4 CS/C=C/C(=O)O Z1868430572 [0,1,1,0,0,0|0,0,2]=4 417 B6R0.4 CSCCC(=N)N Z1266823407 [0,1,1,0,0,0|2,0,0]=4 418 B6R0.4 CSCCC(=O)O Z54719251 [0,1,1,0,0,0|0,0,0]=2 419 B6R0.4 N#CCCC(=O)N Z57160408 [0,1,1,0,0,0|1,0,1]=4 420 B6R0.4 NC(=O)CCCO Z1203578394 [0,1,1,0,0,0|1,0,0]=3 421 B6R0.4 NC(=O)NCCF Z1203582184 [0,1,1,0,0,0|2,0,0]=4 422 B6R0.4 NC(=O)OCCO Z1198158440 [0,1,1,0,0,0|1,0,0]=3 423 B6R0.4 NCCCC(=O)N Z398513418 [0,1,1,0,0,0|1,0,0]=3 424 B6R0.4 NCCCC(=O)O Z104475620 [0,1,1,0,0,0|0,0,0]=2 425 B6R0.4 NCCCS(=O)O Z1203579399 [0,1,1,0,0,0|1,0,0]=3 426 B6R0.4 NCCNC(=O)N Z1268152381 [0,1,1,0,0,0|2,0,0]=4 427 B6R0.4 NCCOC(=O)N Z1587257433 [0,1,1,0,0,0|1,0,0]=3 428 B6R0.4 O=C(O)/C=C/CO Z3178016098 [0,1,1,0,0,0|0,0,2]=4 429 B6R0.4 O=C(O)C#CCO Z1198169479 [0,1,1,0,0,0|0,0,2]=4 430 B6R0.4 O=C(O)CCCS Z147642510 [0,1,1,0,0,0|0,0,0]=2 431 B6R0.5 CCCC(C)(C)O Z449374450 [0,1,1,0,0,0|1,0,1]=4 432 B6R0.5 CCNS(=O)(=O)C Z53825320 [0,1,1,0,0,0|2,0,0]=4 433 B6R0.5 CCOS(=O)(=O)N Z2751120716 [0,1,1,0,0,0|2,0,0]=4 434 B6R0.5 NCCS(=O)(=O)O Z248489432 [0,1,1,0,0,0|2,0,0]=4 435 B6R0.6 C=CCCCCN Z1198160046 [0,1,1,0,0,0|2,0,0]=4 436 B6R0.6 C=CCNCCO Z137800938 [0,1,1,0,0,0|1,0,0]=3 437 B6R0.6 C=CCOCCN Z976678988 [0,1,1,0,0,0|2,0,0]=4 438 B6R0.6 C=CCSCCN Z1262237162 [0,1,1,0,0,0|2,0,0]=4 439 B6R0.6 CCCCCCO Z104473568 [0,1,1,0,0,0|1,0,1]=4 440 B6R0.6 CCCOCCN Z4449042604 [0,1,1,0,0,0|1,0,1]=4 441 B6R0.6 CCNCCCO Z138139914 [0,1,1,0,0,0|1,0,1]=4 442 B6R0.6 CCOCCCO Z1080358490 [0,1,1,0,0,0|1,0,1]=4 443 B6R0.6 CNCCCCO Z839096662 [0,1,1,0,0,0|1,0,1]=4 444 B6R0.6 CNCCCOC Z137847932 [0,1,1,0,0,0|2,0,0]=4 445 B6R0.6 COCCCC#N Z295205400 [0,1,1,0,0,0|1,0,1]=4 446 B6R0.6 COCCCCO Z431605254 [0,1,1,0,0,0|0,0,2]=4 447 B6R0.6 COCCN=C=O Z1094719556 [0,1,1,0,0,0|1,0,1]=4 448 B6R0.6 N#CCCCCO Z431952150 [0,1,1,0,0,0|1,0,1]=4 449 B6R0.6 O=CCCCC=O Z57127529 [0,1,1,0,0,0|0,0,1]=3 450 B6R0.6 OCCNCCO Z104475196 [0,1,1,0,0,0|0,0,2]=4 451 B6R0.8 COP(=O)([S-])OC Z3670332895 [0,1,1,0,0,0|2,0,0]=4 452 B6R0.8 COS(=O)(=O)OC Z104473216 [0,1,1,0,0,0|2,0,0]=4 453 B6R0.9 CCC(C#N)OC Z851010100 [0,1,1,0,0,0|1,0,1]=4 454 B6R0.9 CCC(CN)OC Z2168541798 [0,1,1,0,0,0|1,0,1]=4 455 B6R0.9 CCC(CO)OC Z1255373272 [0,1,1,0,0,0|0,0,2]=4 456 B6R0.9 CCN(CC)N=O Z1255485632 [0,1,1,0,0,0|2,0,0]=4 457 B6R1.4 CC1CCC1N Z2082999653 [0,1,0,0,1,0|1,0,1]=4 458 B6R1.5 CC1CC(C1)N Z1357823942 [0,1,0,0,1,0|1,0,1]=4 459 B6R1.5 CN1CC(C1)N Z1741969265 [0,1,0,0,1,0|2,0,0]=4 460 B6R1.5 NC1CC(C1)N Z1511513968 [0,1,0,0,1,0|1,0,1]=4 461 B6R1.5 N[C@H]1C[C@@H](C1)N Z3244521251 [0,1,0,0,1,0|1,0,1]=4 462 B6R1.5 N[C@H]1C[C@H](C1)F Z3015579885 [0,1,0,0,1,0|1,0,1]=4 463 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [0,1,0,0,1,0|0,0,2]=4 464 B6R1.5 O[C@H]1C[C@H](C1)O Z2065357735 [0,1,0,0,1,0|0,0,2]=4 465 B6R1.6 CNC1CCC1 Z1263820270 [0,1,0,0,1,0|1,0,1]=4 466 B6R1.6 N#CC1CCC1 Z406694072 [0,1,0,0,1,0|1,0,1]=4 467 B6R1.6 NCC1CCC1 Z381061564 [0,1,0,0,1,0|1,0,1]=4 468 B6R1.6 O=CC1CCC1 Z1079442452 [0,1,0,0,1,0|0,0,1]=3 469 B6R1.10 CC1(CCC1)N Z1741969618 [0,1,0,0,1,0|1,0,1]=4 470 B6R1.10 CC1(CCC1)O Z1241455013 [0,1,0,0,1,0|0,0,2]=4 471 B6R1.10 O=S1(=O)CCN1 Z415933552 [0,1,0,0,1,0|2,0,0]=4 472 B8R1.2 BrC=C1CCNCC1 Z4355559318 [0,1,0,0,0,1|2,0,0]=4 473 B8R1.2 BrCC1CCCCO1 Z104484248 [0,1,0,0,0,1|1,0,1]=4 474 B8R1.2 CCC1CNCCO1 Z283724556 [0,1,0,0,0,1|1,0,1]=4 475 B8R1.2 CNC1=NCCCC1 Z1744713171 [0,1,0,0,0,1|2,0,0]=4 476 B8R1.2 COC1=NCCCC1 Z729471270 [0,1,0,0,0,1|1,0,1]=4 477 B8R1.2 COC1CNCCO1 Z1203748232 [0,1,0,0,0,1|0,0,2]=4 478 B8R1.2 CSC1=NCCCN1 Z104341704 [0,1,0,0,0,1|1,1,0]=4 479 B8R1.2 ClCC1CCOCO1 Z56932992 [0,1,0,0,0,1|1,0,1]=4 480 B8R1.2 ClCC1CNCCO1 Z1198749808 [0,1,0,0,0,1|1,0,1]=4 481 B8R1.2 FCC1CNCCO1 Z1262569974 [0,1,0,0,0,1|1,0,1]=4 482 B8R1.2 N#CC1=COCCC1 Z1134174156 [0,1,0,0,0,1|1,0,0]=3 483 B8R1.2 N#CC1CCCOC1 Z1079179226 [0,1,0,0,0,1|1,0,1]=4 484 B8R1.2 N#CC1CNCCO1 Z1263820378 [0,1,0,0,0,1|1,0,1]=4 485 B8R1.2 N#CC1CSCCO1 Z1356110445 [0,1,0,0,0,1|1,0,1]=4 486 B8R1.2 NCC1=CCCCC1 Z2230911155 [0,1,0,0,0,1|2,0,0]=4 487 B8R1.2 NCC1=CCCOC1 Z2096659348 [0,1,0,0,0,1|1,0,1]=4 488 B8R1.2 NCC1=CCOCC1 Z2234185641 [0,1,0,0,0,1|2,0,0]=4 489 B8R1.2 NCC1=COCCO1 Z425641798 [0,1,0,0,0,1|1,0,1]=4 490 B8R1.2 NCC1=NCCCN1 Z994488026 [0,1,0,0,0,1|2,0,0]=4 491 B8R1.2 NCC1CCCCO1 Z839575544 [0,1,0,0,0,1|1,0,1]=4 492 B8R1.2 NCC1CCOCO1 Z1431005851 [0,1,0,0,0,1|1,0,1]=4 493 B8R1.2 NOC1CCCCO1 Z968560364 [0,1,0,0,0,1|0,0,2]=4 494 B8R1.2 O=CC1=CCCCC1 Z1190318865 [0,1,0,0,0,1|1,0,0]=3 495 B8R1.2 O=CC1=CCCOC1 Z979787886 [0,1,0,0,0,1|0,0,1]=3 496 B8R1.2 O=CC1=CCCSC1 Z1255380334 [0,1,0,0,0,1|1,0,0]=3 497 B8R1.2 O=CC1=CCOCC1 Z1511760351 [0,1,0,0,0,1|1,0,0]=3 498 B8R1.2 O=CC1=COCCC1 Z432415080 [0,1,0,0,0,1|0,0,0]=2 499 B8R1.2 O=CC1=COCCO1 Z1198154290 [0,1,0,0,0,1|0,0,1]=3 500 B8R1.2 O=CC1CCC=CO1 Z600389890 [0,1,0,0,0,1|0,0,2]=4 501 B8R1.2 O=CC1CCCCC1 Z104478974 [0,1,0,0,0,1|1,0,1]=4 502 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,1,0,0,0,1|0,0,1]=3 503 B8R1.2 O=CC1CCCOC1 Z1065877672 [0,1,0,0,0,1|0,0,1]=3 504 B8R1.2 O=CC1CCCSC1 Z1255489365 [0,1,0,0,0,1|0,1,1]=4 505 B8R1.2 O=CC1CCOCC1 Z979759508 [0,1,0,0,0,1|1,0,1]=4 506 B8R1.2 O=CC1CCSCC1 Z1201622265 [0,1,0,0,0,1|1,0,1]=4 507 B8R1.2 O=CN1CCCCC1 Z1255415437 [0,1,0,0,0,1|2,0,0]=4 508 B8R1.2 O=CN1CCNCC1 Z104479110 [0,1,0,0,0,1|2,0,0]=4 509 B8R1.2 O=CN1CCOCC1 Z295197308 [0,1,0,0,0,1|2,0,0]=4 510 B8R1.2 O=NN1CCCCC1 Z1198147906 [0,1,0,0,0,1|2,0,0]=4 511 B8R1.2 O=NN1CCNCC1 Z1198149478 [0,1,0,0,0,1|2,0,0]=4 512 B8R1.2 O=NN1CCOCC1 Z1255360497 [0,1,0,0,0,1|2,0,0]=4 513 B8R1.2 O=NN1CCSCC1 Z1198157610 [0,1,0,0,0,1|2,0,0]=4 514 B8R1.2 OCC1=CCNCC1 Z2310702179 [0,1,0,0,0,1|1,0,1]=4 515 B8R1.2 OCC1=COCCO1 Z1101443027 [0,1,0,0,0,1|0,0,2]=4 516 B8R1.2 OCC1CCCCO1 Z104479808 [0,1,0,0,0,1|0,0,2]=4 517 B8R1.2 OCC1CCCOC1 Z445213352 [0,1,0,0,0,1|0,0,2]=4 518 B8R1.2 OCC1CNCCO1 Z1235945999 [0,1,0,0,0,1|0,0,2]=4 519 B8R1.2 OCC1COCCO1 Z1020816972 [0,1,0,0,0,1|0,0,2]=4 520 B8R1.2 ON=C1CCCCC1 Z49568468 [0,1,0,0,0,1|1,0,1]=4 521 B8R1.3 CC1=CCC(CC1)N Z3857655203 [0,1,0,0,0,1|2,0,0]=4 522 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [0,1,0,0,0,1|1,0,1]=4 523 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,1,0,0,0,1|1,0,0]=3 524 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,1,0,0,0,1|1,0,0]=3 525 B8R1.3 CC1CCC(CO1)O Z1898581838 [0,1,0,0,0,1|0,0,2]=4 526 B8R1.3 CC1CN=C(NC1)N Z1203586632 [0,1,0,0,0,1|2,0,0]=4 527 B8R1.3 CC1COC(CN1)C Z327218388 [0,1,0,0,0,1|1,0,1]=4 528 B8R1.3 CN1CC=C(CC1)Br Z4896525382 [0,1,0,0,0,1|2,0,0]=4 529 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,1,0,0,0,1|1,0,0]=3 530 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,1,0,0,0,1|1,0,0]=3 531 B8R1.3 NC1CNC(=O)NC1 Z4926262838 [0,1,0,0,0,1|1,0,0]=3 532 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [0,1,0,0,0,1|1,0,0]=3 533 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,1,0,0,0,1|1,0,0]=3 534 B8R1.3 O=C1CCS(=O)CC1 Z826531086 [0,1,0,0,0,1|1,0,0]=3 535 B8R1.3 O=C1CNC(=O)CN1 Z56854487 [0,1,0,0,0,1|1,0,1]=4 536 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,1,0,0,0,1|0,0,1]=3 537 B8R1.3 O=C1NCC(CN1)O Z1198163621 [0,1,0,0,0,1|1,0,0]=3 538 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,1,0,0,0,1|1,0,0]=3 539 B8R1.4 CC1=CC(CCC1)N Z3895215954 [0,1,0,0,0,1|2,0,0]=4 540 B8R1.4 CC1=CC(CCC1)O Z1255423437 [0,1,0,0,0,1|2,0,0]=4 541 B8R1.4 CC1=CC(CNC1)C Z1966484556 [0,1,0,0,0,1|2,0,0]=4 542 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,1,0,0,0,1|1,0,0]=3 543 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,1,0,0,0,1|1,0,0]=3 544 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,1,0,0,0,1|0,0,1]=3 545 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,1,0,0,0,1|1,0,0]=3 546 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,1,0,0,0,1|1,0,0]=3 547 B8R1.4 CC1CCN=C(N1)N Z3512513301 [0,1,0,0,0,1|2,0,0]=4 548 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,1,0,0,0,1|1,0,0]=3 549 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,1,0,0,0,1|1,0,0]=3 550 B8R1.4 CC1CNCC(O1)C Z104472602 [0,1,0,0,0,1|1,0,1]=4 551 B8R1.4 CC1CS(=O)CCN1 Z1227754708 [0,1,0,0,0,1|2,0,0]=4 552 B8R1.4 CN1CC(CCO1)O Z5948414894 [0,1,0,0,0,1|2,0,0]=4 553 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,1,0,0,0,1|1,0,0]=3 554 B8R1.4 C[C@@H]1C[C@H](CCO1)N Z4121905902 [0,1,0,0,0,1|1,0,1]=4 555 B8R1.4 C[C@H]1CNC[C@H](O1)C Z1203730781 [0,1,0,0,0,1|1,0,1]=4 556 B8R1.4 NC1=CC(=O)CCC1 Z56899207 [0,1,0,0,0,1|1,0,0]=3 557 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,0,0,1|1,0,0]=3 558 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [0,1,0,0,0,1|1,0,0]=3 559 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [0,1,0,0,0,1|1,0,1]=4 560 B8R1.4 O=C1CCSC(=O)N1 Z56871611 [0,1,0,0,0,1|0,1,1]=4 561 B8R1.4 O=C1COCC(=O)N1 Z802811418 [0,1,0,0,0,1|1,0,1]=4 562 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,1,0,0,0,1|0,0,1]=3 563 B8R1.4 O=C1CSCC(=O)C1 Z1255373195 [0,1,0,0,0,1|0,1,1]=4 564 B8R1.5 CC1=C(CCNC1)Br Z4428787505 [0,1,0,0,0,1|2,0,0]=4 565 B8R1.5 CC1=C(CNCC1)C Z1966489842 [0,1,0,0,0,1|2,0,0]=4 566 B8R1.5 CC1CCCCC1=O Z104477192 [0,1,0,0,0,1|1,0,0]=3 567 B8R1.5 CC1CCCNC1=O Z1013766916 [0,1,0,0,0,1|1,0,0]=3 568 B8R1.5 CC1CCOCC1N Z3035821495 [0,1,0,0,0,1|1,0,1]=4 569 B8R1.5 CC1CNCCC1=O Z1741969235 [0,1,0,0,0,1|1,0,0]=3 570 B8R1.5 CC1COCCC1=O Z1192338803 [0,1,0,0,0,1|1,0,0]=3 571 B8R1.5 CC1COCCC1N Z1868316869 [0,1,0,0,0,1|1,0,1]=4 572 B8R1.5 CC1COCCC1O Z1255390393 [0,1,0,0,0,1|1,0,1]=4 573 B8R1.5 CC1NCCNC1=O Z336079670 [0,1,0,0,0,1|1,0,0]=3 574 B8R1.5 CC1NCCOC1C Z1187835063 [0,1,0,0,0,1|1,0,1]=4 575 B8R1.5 CC1SCCCC1=O Z1359849054 [0,1,0,0,0,1|0,1,0]=3 576 B8R1.5 CC1SCCNC1=O Z1098219156 [0,1,0,0,0,1|1,0,0]=3 577 B8R1.5 CN1CCCN=C1N Z2865417319 [0,1,0,0,0,1|2,0,0]=4 578 B8R1.5 CN1CCNCC1=O Z1250100764 [0,1,0,0,0,1|1,0,0]=3 579 B8R1.5 CN1CNCNC1=O Z5130722475 [0,1,0,0,0,1|2,0,0]=4 580 B8R1.5 C[C@@H]1NCCO[C@@H]1C Z2412195478 [0,1,0,0,0,1|1,0,1]=4 581 B8R1.5 C[C@@H]1NCCO[C@H]1C Z4524514028 [0,1,0,0,0,1|1,0,1]=4 582 B8R1.5 ClC1=C(CNCC1)Cl Z1572021773 [0,1,0,0,0,1|2,0,0]=4 583 B8R1.5 NC1CCCCC1=O Z2186882796 [0,1,0,0,0,1|1,0,0]=3 584 B8R1.5 NC1CCCNC1=O Z993991168 [0,1,0,0,0,1|1,0,0]=3 585 B8R1.5 NC1CCOCC1O Z2688974552 [0,1,0,0,0,1|0,0,2]=4 586 B8R1.5 NN1CCCCC1=O Z976663668 [0,1,0,0,0,1|1,0,0]=3 587 B8R1.5 N[C@@H]1COCC[C@H]1N Z4745609917 [0,1,0,0,0,1|1,0,1]=4 588 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [0,1,0,0,0,1|1,0,1]=4 589 B8R1.5 O=C1CCCCC1=O Z90122041 [0,1,0,0,0,1|1,0,0]=3 590 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,1,0,0,0,1|1,0,0]=3 591 B8R1.5 O=C1NCCCC1F Z1203749514 [0,1,0,0,0,1|1,0,0]=3 592 B8R1.72 CC1(CCCOC1)N Z1582263087 [0,1,0,0,0,1|1,0,1]=4 593 B8R1.72 CC1(CNCCO1)C Z374049350 [0,1,0,0,0,1|1,0,1]=4 594 B8R1.72 N=S1(=O)CCCCC1 Z2941529962 [0,1,0,0,0,1|2,0,0]=4 595 B8R1.72 N=S1(=O)CCNCC1 Z4658857975 [0,1,0,0,0,1|2,0,0]=4 596 B8R1.72 N=S1(=O)CCOCC1 Z1198235499 [0,1,0,0,0,1|2,0,0]=4 597 B8R1.72 O=S1(=O)CCCCN1 Z1201622708 [0,1,0,0,0,1|2,0,0]=4 598 B8R1.72 O=S1(=O)CCNCC1 Z1263529638 [0,1,0,0,0,1|2,0,0]=4 599 B8R1.72 O=S1(=O)CCNCN1 Z1198155417 [0,1,0,0,0,1|2,0,0]=4 600 B8R1.72 O=S1(=O)CCOCC1 Z992614860 [0,1,0,0,0,1|2,0,0]=4 601 B8R1.72 O=S1(=O)NCCCN1 Z1551944962 [0,1,0,0,0,1|2,0,0]=4 602 B8R1.1 CC1CC(=NO1)C=O Z2732442537 [0,2,0,0,0,0|2,0,0]=4 603 B8R1.1 CC1CCC(C1)C=O Z1268606446 [0,2,0,0,0,0|1,0,1]=4 604 B8R1.1 CC1CCC(O1)C#N Z1438313776 [0,2,0,0,0,0|1,0,1]=4 605 B8R1.1 CC1CCC(O1)CN Z1438307598 [0,2,0,0,0,0|1,0,1]=4 606 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,2,0,0,0,0|1,0,0]=3 607 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,2,0,0,0,0|1,0,0]=3 608 B8R1.1 CCC1COC(=N1)N Z3231924235 [0,2,0,0,0,0|2,0,0]=4 609 B8R1.1 COC1=CC(=O)CC1 Z871868704 [0,2,0,0,0,0|1,0,1]=4 610 B8R1.1 COC1CNC(=O)C1 Z1203749511 [0,2,0,0,0,0|1,0,0]=3 611 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,2,0,0,0,0|1,0,0]=3 612 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,2,0,0,0,0|0,0,0]=2 613 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [0,2,0,0,0,0|1,0,0]=3 614 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,2,0,0,0,0|0,0,0]=2 615 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,2,0,0,0,0|1,0,0]=3 616 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,2,0,0,0,0|1,0,0]=3 617 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,2,0,0,0,0|1,0,0]=3 618 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,2,0,0,0,0|0,0,2]=4 619 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,2,0,0,0,0|1,0,0]=3 620 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,2,0,0,0,0|1,0,0]=3 621 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,2,0,0,0,0|1,0,0]=3 622 B8R1.1 O=C1NCC(O1)CCl Z56346848 [0,2,0,0,0,0|1,0,0]=3 623 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,2,0,0,0,0|1,0,0]=3 624 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,2,0,0,0,0|1,0,1]=4 625 B8R1.7 CC(N)C1CCCO1 Z318730550 [0,2,0,0,0,0|1,0,1]=4 626 B8R1.7 N=C(N)C1CCCO1 Z1582263149 [0,2,0,0,0,0|1,0,1]=4 627 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,2,0,0,0,0|1,0,1]=4 628 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,2,0,0,0,0|1,0,1]=4 629 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,2,0,0,0,0|0,0,1]=3 630 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,2,0,0,0,0|2,0,0]=4 631 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,2,0,0,0,0|1,0,0]=3 632 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,2,0,0,0,0|0,1,1]=4 633 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,2,0,0,0,0|2,0,0]=4 634 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,2,0,0,0,0|2,0,0]=4 635 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,2,0,0,0,0|1,0,1]=4 636 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,2,0,0,0,0|1,0,1]=4 637 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,2,0,0,0,0|0,0,1]=3 638 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,2,0,0,0,0|0,1,1]=4 639 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,2,0,0,0,0|1,0,1]=4 640 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,2,0,0,0,0|1,0,1]=4 641 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,2,0,0,0,0|1,0,1]=4 642 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,2,0,0,0,0|1,0,1]=4 643 B8R1.7 OB(O)C1=CCCC1 Z1201621640 [0,2,0,0,0,0|1,0,1]=4 644 B8R1.8 CNCC1CCCO1 Z137696198 [0,2,0,0,0,0|1,0,1]=4 645 B8R1.8 N#C/N=C\1/CCCN1 Z55927856 [0,2,0,0,0,0|2,0,0]=4 646 B8R1.8 N#CCC1CCCO1 Z94601183 [0,2,0,0,0,0|1,0,1]=4 647 B8R1.8 NCCC1CCCO1 Z1245635808 [0,2,0,0,0,0|1,0,1]=4 648 B8R1.8 O=C=NC1CCCC1 Z316172554 [0,2,0,0,0,0|1,0,1]=4 649 B8R1.8 O=CCC1CCCC1 Z993017732 [0,2,0,0,0,0|1,0,1]=4 650 B8R1.8 O=CCC1CCCO1 Z1183458964 [0,2,0,0,0,0|0,0,1]=3 651 B8R1.8 OCCC1CCCO1 Z1183459210 [0,2,0,0,0,0|0,0,2]=4 652 B8R1.11 C=CN1CCCC1=O Z104475034 [0,2,0,0,0,0|1,0,0]=3 653 B8R1.11 CC1CCCC1C=O Z1268606470 [0,2,0,0,0,0|1,0,1]=4 654 B8R1.11 CC1OCCC1C=O Z1342837783 [0,2,0,0,0,0|1,0,1]=4 655 B8R1.11 CCC1CCCC1=O Z813018310 [0,2,0,0,0,0|1,0,0]=3 656 B8R1.11 CCC1CCNC1=O Z1203732458 [0,2,0,0,0,0|1,0,0]=3 657 B8R1.11 CCN1CCCC1=O Z1255438420 [0,2,0,0,0,0|1,0,0]=3 658 B8R1.11 CCN1CCNC1=O Z1179328150 [0,2,0,0,0,0|2,0,0]=4 659 B8R1.11 N#CC1=C(CCC1)N Z221425808 [0,2,0,0,0,0|2,0,0]=4 660 B8R1.11 N#CC1CCCC1=O Z951172672 [0,2,0,0,0,0|1,0,0]=3 661 B8R1.11 O=C1CCCN1CO Z56755633 [0,2,0,0,0,0|1,0,0]=3 662 B8R1.11 O=C1NCCC1CO Z1203746842 [0,2,0,0,0,0|1,0,0]=3 663 B8R1.52 CC1(CCCC1)C=O Z1255466724 [0,2,0,0,0,0|1,0,1]=4 664 B8R1.52 CC1(CCCO1)C#N Z384972070 [0,2,0,0,0,0|1,0,1]=4 665 B8R1.52 CC1(CCCO1)C=O Z1389061333 [0,2,0,0,0,0|0,0,1]=3 666 B8R1.52 CC1(CCCO1)CN Z1198218662 [0,2,0,0,0,0|1,0,1]=4 667 B8R1.52 CC1(CCCO1)CO Z1389059207 [0,2,0,0,0,0|0,0,2]=4 668 B8R1.52 CC1(CCCS1)C=O Z1455206494 [0,2,0,0,0,0|0,1,1]=4 669 B8R1.52 O=CC1(CCCC1)Br Z1511865834 [0,2,0,0,0,0|1,0,1]=4 670 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,2,0,0,0,0|1,0,1]=4 671 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,2,0,0,0,0|1,0,0]=3 672 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [0,2,0,0,0,0|1,0,0]=3 673 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,2,0,0,0,0|0,0,0]=2 674 B8R1.18 CC1CC(C(O1)C)N Z2719326610 [0,2,0,0,0,0|1,0,1]=4 675 B8R1.18 CN1CC(C(=O)N1)N Z1332661939 [0,2,0,0,0,0|2,0,0]=4 676 B8R1.18 CN1CC(CC1=O)O Z1201051099 [0,2,0,0,0,0|1,0,0]=3 677 B8R1.18 NC1CC(=O)N(C1)O Z3806274909 [0,2,0,0,0,0|1,0,0]=3 678 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [0,2,0,0,0,0|1,0,1]=4 679 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [0,2,0,0,0,0|1,0,1]=4 680 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,2,0,0,0,0|0,0,2]=4 681 B8R1.50 CC1C(=O)CCC1=O Z104503660 [0,2,0,0,0,0|1,0,1]=4 682 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,2,0,0,0,0|1,0,0]=3 683 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,2,0,0,0,0|2,0,0]=4 684 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,2,0,0,0,0|0,0,0]=2 685 B8R1.50 CN1C(=O)COC1=O Z1618025816 [0,2,0,0,0,0|1,0,1]=4 686 B8R1.50 CN1CCN(C1=O)C Z56755571 [0,2,0,0,0,0|2,0,0]=4 687 B8R1.50 CN1OCC(C1=O)N Z4252149149 [0,2,0,0,0,0|2,0,0]=4 688 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,2,0,0,0,0|1,0,0]=3 689 B8R1.50 O=C1CCC(=O)N1O Z56933833 [0,2,0,0,0,0|1,0,1]=4 690 B8R1.50 O=C1OCC(=C1Cl)Cl Z1198160971 [0,2,0,0,0,0|0,0,2]=4 691 B8R1.51 CC1(CC(CO1)N)C Z2938030584 [0,2,0,0,0,0|1,0,1]=4 692 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [0,2,0,0,0,0|1,0,0]=3 693 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,2,0,0,0,0|0,0,0]=2 694 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [0,2,0,0,0,0|1,0,0]=3 695 B8R1.51 CC1(COC(=N1)N)C Z1198155525 [0,2,0,0,0,0|2,0,0]=4 696 B8R1.51 CC1CNS(=O)(=O)C1 Z1575095016 [0,2,0,0,0,0|2,0,0]=4 697 B8R1.51 NC1CCS(=O)(=O)C1 Z56998603 [0,2,0,0,0,0|2,0,0]=4 698 B8R1.51 O=S1(=O)CCC(C1)O Z57161902 [0,2,0,0,0,0|2,0,0]=4 699 B8R1.19 CC1(CCCC1=O)C Z1238544226 [0,2,0,0,0,0|1,0,0]=3 700 B8R1.19 CC1(CCNC1=O)C Z1201628732 [0,2,0,0,0,0|1,0,0]=3 701 B8R1.19 CC1(CCNC1=O)N Z2718904456 [0,2,0,0,0,0|1,0,0]=3 702 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,2,0,0,0,0|0,0,0]=2 703 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,2,0,0,0,0|0,0,0]=2 704 B8R1.19 CC1(COCC1=O)C Z1513611826 [0,2,0,0,0,0|2,0,0]=4 705 B8R1.19 CC1(NCCC1=O)C Z3235143689 [0,2,0,0,0,0|2,0,0]=4 706 B6R1.9 CC1OC1(C)C Z1255419606 [0,0,1,1,0,0|1,0,1]=4 707 B6R1.11 N=C(N)C1CC1 Z935140732 [0,0,1,1,0,0|2,0,0]=4 708 B6R1.11 O=S([O-])C1CC1 Z1741965693 [0,0,1,1,0,0|1,0,1]=4 709 B6R1.1 C1=CCCCC1 Z104474726 [0,0,1,1,0,0|2,0,0]=4 710 B6R1.1 C1=NCCCN1 Z1198163087 [0,0,1,1,0,0|2,0,0]=4 711 B6R1.1 C1CCONC1 Z1787355355 [0,0,1,1,0,0|1,0,1]=4 712 B6R1.7 CCC1(CO1)C Z1020679924 [0,0,1,1,0,0|1,0,1]=4 713 B8R2.2 C[C@]12CCC[C@H]1O2 Z4597543898 [0,0,0,1,0,1|1,0,1]=4 714 B8R2.2 N[C@@]12COC[C@@H]1C2 Z2755982948 [0,0,0,1,0,1|1,0,1]=4 715 B8R2.5 O=C1N[C@H]2[C@@H]1C=C2 Z3678520407 [0,0,0,1,0,1|1,0,1]=4 716 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,1,0,1|1,0,0]=3 717 B8R2.25 C1CC2OC2CO1 Z440605384 [0,0,0,1,0,1|0,0,2]=4 718 B8R2.25 C1COC2CC2N1 Z2238336531 [0,0,0,1,0,1|1,0,1]=4 719 B8R2.34 C1O[C@@H]2CN[C@H]1C2 Z1198157093 [0,0,0,1,0,1|1,0,1]=4 720 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,1,0,1|1,0,0]=3 721 B8R1.22 CC1CCNCCO1 Z2855997854 [0,0,0,0,0,2|1,0,1]=4 722 B8R1.22 CC1CNCCCO1 Z425722880 [0,0,0,0,0,2|1,0,1]=4 723 B8R1.22 CC1CNCCOC1 Z1216819166 [0,0,0,0,0,2|1,0,1]=4 724 B8R1.22 CC1COCCCN1 Z1216819161 [0,0,0,0,0,2|1,0,1]=4 725 B8R1.22 FC1CNCCOC1 Z4924614783 [0,0,0,0,0,2|1,0,1]=4 726 B8R1.22 NC1COCCOC1 Z1463350443 [0,0,0,0,0,2|1,0,1]=4 727 B8R1.22 O=C1CCCCCC1 Z104473100 [0,0,0,0,0,2|1,0,0]=3 728 B8R1.22 O=C1CCNCCN1 Z119989554 [0,0,0,0,0,2|1,0,0]=3 729 B8R1.22 O=C1CCOCCN1 Z821098578 [0,0,0,0,0,2|1,0,0]=3 730 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,0,0,0,0,2|1,0,0]=3 731 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,0,0,0,0,2|1,0,0]=3 732 B8R1.22 O=C1COCCCN1 Z1203733065 [0,0,0,0,0,2|0,0,0]=2 733 B8R1.22 OC1CNCCOC1 Z2234631219 [0,0,0,0,0,2|0,0,2]=4