0 B6R0.1 C#CC(=O)OCC Z104478880 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 C#CCC(=O)OC Z1198160347 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 CCC(=O)COC Z825742020 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 CCCC(=O)CN Z1203579017 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CCCC(=O)NO Z59181937 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CCCC(C)NC Z394693580 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 CCCC(N)CC Z1642389626 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 CCNC(=N)NC Z1357224692 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.1 CCNC(=O)CN Z54747476 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.1 CCNC(=O)CO Z431952024 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 CCNC(=S)NN Z56965890 [0,0,0,0,0,0|2,1,0]=3 11 B6R0.1 CCNC(C)C#N Z2526709253 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 CCNC(C)CC Z2509351098 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.1 CCOC(=N)CC Z3033961910 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.1 CCOC(=O)CN Z594038186 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.1 CCOC(=O)CO Z385458066 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.1 CCOC(=O)NN Z104478458 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.1 CCS(=O)CCN Z1266854910 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.1 CNC(=O)CC#N Z56945997 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.1 CNC(=O)CCCl Z239813512 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.1 CNC(=O)CCN Z425449754 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.1 CNC(=O)CCO Z975909370 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.1 CNCC(=O)NC Z57981096 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.1 CNCC(=O)OC Z89264972 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.1 CNCC(C)OC Z2065788390 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.1 CO/C(=N/C#N)/C Z445995030 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.1 COC(C)CCN Z802903932 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.1 CONC(=O)CCl Z234816732 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CC(=CCN)C Z1827897919 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 CCCC(=N)N Z1198394172 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.1 CCCC(C)N Z2417819590 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 CCNC(=N)N Z2574931373 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 CCOC(=N)N Z1741973543 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 CCSC(=N)N Z1708092306 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.1 CSCS(=O)C Z1255438413 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.2 C#CCNCC Z815264056 [1,0,0,0,0,0|1,0,2]=4 59 B5R0.2 C/C=C/CCN Z1268152372 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.2 C/C=C/OCC Z281777810 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.2 C=CCNCC Z2044769224 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.2 CCCNCC Z138446288 [1,0,0,0,0,0|1,0,1]=3 63 B5R0.2 CCNCC#N Z235583784 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.2 CCNCCF Z1198305484 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.2 CCNCCO Z1258992395 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.2 CCNOCC Z223690220 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.2 CNCCOC Z1259162131 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.2 COCCCO Z431517702 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.2 COCCOC Z104473014 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.3 C/N=C(\C)/NC Z1431002714 [1,0,0,0,0,0|2,0,0]=3 71 B5R0.3 C/N=C(\N)/NC Z1089996530 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.3 C/N=C(\N)/SC Z107728770 [1,0,0,0,0,0|1,1,1]=4 73 B5R0.3 C=C(CC)CN Z2238934536 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.3 CC/C(=N/O)/N Z241067842 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.3 CCC(=O)CC Z104476878 [1,0,0,0,0,0|1,0,0]=2 76 B5R0.3 CCC(=O)CN Z1203579016 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.3 CCC(=O)NN Z56886418 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.3 CCC(C)NC Z594038230 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.3 CNC(=N)NN Z2301534051 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.3 CNC(=O)CCl Z56891219 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.3 CNC(=O)CN Z57981102 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.3 CNC(=O)CO Z431952700 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.3 CNC(=O)CS Z1203730878 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.3 COC(=O)CN Z57042020 [1,0,0,0,0,0|1,0,0]=2 85 B5R0.3 COC(C)CN Z1795817756 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.3 COC(C)CO Z1198150719 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.3 NCC(=O)CN Z1198147360 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.3 O=C(CO)CO Z1255442144 [1,0,0,0,0,0|3,0,0]=4 89 B7R0.2 CC(=O)NC(=O)CCl Z56911971 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.2 CC(C)NC(=S)NN Z56851229 [0,1,0,0,0,0|2,1,0]=4 93 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.2 CNC(=N)CC(C)C Z4121959005 [0,1,0,0,0,0|3,0,0]=4 96 B7R0.2 CNC(=O)CC(C)N Z1457935170 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,1,0,0,0,0|1,0,1]=3 99 B7R0.2 COC(=O)CC(C)N Z169856728 [0,1,0,0,0,0|1,0,0]=2 100 B7R0.3 C#CC(=O)NCCN Z3038435158 [0,1,0,0,0,0|1,0,1]=3 101 B7R0.3 C#CCNC(=O)C=C Z440634018 [0,1,0,0,0,0|1,0,2]=4 102 B7R0.3 C#CCNC(=O)CC Z220957516 [0,1,0,0,0,0|1,0,1]=3 103 B7R0.3 C#CCNC(=O)CCl Z147651658 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.3 C#CCNC(=O)CN Z1262250790 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.3 C#CCNC(=O)NC Z177091744 [0,1,0,0,0,0|1,0,1]=3 106 B7R0.3 C=CC(=O)NOCC Z1251326848 [0,1,0,0,0,0|1,0,1]=3 107 B7R0.3 C=CCNC(=O)CCl Z56899047 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.3 CC/C=C/C(=O)NC Z404206580 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.3 CCC(=O)NCCN Z1455674775 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.3 CCC(C)NCCO Z335251014 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.3 CCCCC(=O)CC Z406378226 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.3 CCCNC(=O)CC Z33030426 [0,1,0,0,0,0|1,0,0]=2 113 B7R0.3 CCCNC(=S)NN Z56985754 [0,1,0,0,0,0|2,1,0]=4 114 B7R0.3 CCNCC(=O)NC Z55849445 [0,1,0,0,0,0|1,0,0]=2 115 B7R0.3 CCNCC(=O)OC Z138464962 [0,1,0,0,0,0|0,0,0]=1 116 B7R0.3 CCNCC(C)CC Z335456758 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.3 CCNCC(O)CC Z600449680 [0,1,0,0,0,0|1,0,2]=4 118 B7R0.3 CNC(=N)CCOC Z2739543518 [0,1,0,0,0,0|3,0,0]=4 119 B7R0.3 CNC(=O)CCCN Z451350656 [0,1,0,0,0,0|2,0,0]=3 120 B7R0.3 CNC(=O)NCCO Z177090556 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.3 CNC(=O)OCCO Z1198150357 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.3 CNCCC(=O)NC Z852427258 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.3 CNCCC(=O)OC Z140562916 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.3 COC(=O)CCC#N Z1179894109 [0,1,0,0,0,0|1,0,1]=3 125 B7R0.3 COC(=O)NCCN Z2237317343 [0,1,0,0,0,0|0,0,0]=1 126 B7R0.3 N#CCNC(=O)CCl Z258588590 [0,1,0,0,0,0|2,0,1]=4 127 B7R0.3 NCC(=O)NCCO Z401366912 [0,1,0,0,0,0|2,0,0]=3 128 B7R0.3 NCCCC(=O)NO Z3488307998 [0,1,0,0,0,0|3,0,0]=4 129 B7R0.3 O=C(CO)NCCO Z1203732626 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.5 C=C(C)C(=O)OCC Z852747724 [0,1,0,0,0,0|2,0,0]=3 131 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [0,1,0,0,0,0|1,0,0]=2 132 B7R0.5 CCNC(=O)C(C)N Z89265773 [0,1,0,0,0,0|1,0,0]=2 133 B7R0.5 CCNC(C)C(C)C Z910842872 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.5 CCOC(=N)C(C)C Z1623864182 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,1,0,0,0,0|2,0,0]=3 136 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,1,0,0,0,0|3,0,0]=4 137 B7R0.5 CCOC(=O)C(F)F Z361436550 [0,1,0,0,0,0|3,0,0]=4 138 B7R0.5 CN(C)C(=O)CCN Z802671460 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.5 CN(C)C(=O)CCO Z635883438 [0,1,0,0,0,0|3,0,0]=4 140 B7R0.5 COCC(=O)C(C)C Z825742022 [0,1,0,0,0,0|3,0,0]=4 141 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [0,1,0,0,0,0|1,0,1]=3 142 B7R0.7 C=C=CC(=O)OCC Z1255488905 [0,1,0,0,0,0|1,0,2]=4 143 B7R0.7 CCNC(=O)CCCl Z239813542 [0,1,0,0,0,0|1,0,0]=2 144 B7R0.7 CCNC(=O)CCN Z1449756826 [0,1,0,0,0,0|1,0,0]=2 145 B7R0.7 CCNC(=O)CCO Z975909368 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.7 CCNC(=O)CNC Z594038090 [0,1,0,0,0,0|1,0,0]=2 147 B7R0.7 CCNC(C)COC Z1245537976 [0,1,0,0,0,0|1,0,1]=3 148 B7R0.7 CCOC(=N)CSC Z4498865780 [0,1,0,0,0,0|2,1,0]=4 149 B7R0.7 CCOC(=O)CC#N Z104473162 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.7 CCOC(=O)CNC Z1262237263 [0,1,0,0,0,0|2,0,0]=3 151 B7R0.7 CCOC(=O)OCC Z104482516 [0,1,0,0,0,0|1,0,0]=2 152 B7R0.7 CCOC(C)OCC Z104476998 [0,1,0,0,0,0|2,0,1]=4 153 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [0,1,0,0,0,0|2,0,0]=3 154 B7R0.10 CCC(=O)C(=O)CC Z104472286 [0,1,0,0,0,0|2,0,0]=3 155 B7R0.10 CCC(C)C(=N)OC Z975823972 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.10 CCC(C)C(=O)CN Z4526173679 [0,1,0,0,0,0|3,0,0]=4 157 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.10 CCN(C)C(=O)CN Z409025350 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.10 CCN(C)C(=O)NC Z1042069854 [0,1,0,0,0,0|1,0,0]=2 160 B7R0.10 CNC(=O)C(C)CN Z2079695013 [0,1,0,0,0,0|3,0,0]=4 161 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,1,0,0,0,0|3,0,0]=4 162 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,1,0,0,0,0|3,0,0]=4 163 B7R0.10 CNC(=O)N(C)N=O Z1198155659 [0,1,0,0,0,0|3,0,0]=4 164 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,1,0,0,0,0|2,0,0]=3 165 B7R0.10 COC(=O)C(C)SC Z821313006 [0,1,0,0,0,0|2,0,0]=3 166 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,1,0,0,0,0|2,0,0]=3 167 B7R0.10 COC(=O)C(N)CO Z104479480 [0,1,0,0,0,0|2,0,0]=3 168 B7R0.10 COC(=O)C(N)CS Z56917374 [0,1,0,0,0,0|2,0,0]=3 169 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,1,0,0,0,0|2,0,0]=3 170 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,1,0,0,0,0|2,0,0]=3 171 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,1,0,0,0,0|2,0,0]=3 172 B7R0.11 CCCS(=O)(=O)NC Z55026691 [0,1,0,0,0,0|3,0,0]=4 173 B7R0.12 CCCC(CO)OC Z2050356185 [0,1,0,0,0,0|1,0,2]=4 174 B7R0.12 CCNC(C#N)CC Z2858786062 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.12 CCNC(CC)CC Z2130642482 [0,1,0,0,0,0|2,0,1]=4 176 B7R1.1 CCC1CCCN1 Z281773802 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.1 CNC1=NCCN1 Z3072981652 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.1 CNC1=NCCS1 Z744843656 [0,0,0,1,0,0|1,1,1]=4 179 B7R1.1 COC1=NCCC1 Z147641734 [0,0,0,1,0,0|1,0,1]=3 180 B7R1.1 CSC1=NCCN1 Z56790627 [0,0,0,1,0,0|1,1,0]=3 181 B7R1.1 NCC1=NCCN1 Z2714784585 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.2 CC1=CSC(=O)N1 Z57055803 [0,0,0,1,0,0|0,1,2]=4 183 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,0,0,1,0,0|3,0,0]=4 184 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,0,0,1,0,0|1,0,0]=2 186 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.2 CC1CCC(N1)C Z1413780490 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,0,0,1,0,0|3,0,0]=4 191 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,0,0,1,0,0|1,0,0]=2 193 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,0,0,1,0,0|2,0,0]=3 194 B7R1.2 CN1C=NC(=O)N1 Z1777885320 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.2 C[C@H]1CC[C@H](N1)C Z3244812696 [0,0,0,1,0,0|2,0,1]=4 198 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,0,0,1,0,0|3,0,0]=4 200 B7R1.2 O=C1CCC(=O)N1 Z57127349 [0,0,0,1,0,0|2,0,1]=4 201 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,0,0,1,0,0|1,0,1]=3 203 B7R1.2 O=C1CSC(=O)N1 Z57131032 [0,0,0,1,0,0|1,1,1]=4 204 B7R1.3 NC1=NCCCC1 Z1723418848 [0,0,0,1,0,0|2,0,1]=4 205 B7R1.3 NC1=NCCCN1 Z1259041088 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.3 NC1=NCCCS1 Z2211231389 [0,0,0,1,0,0|1,1,1]=4 207 B7R1.3 O=C1C=CCCC1 Z295197140 [0,0,0,1,0,0|2,0,1]=4 208 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,0,0,1,0,0|1,0,1]=3 209 B7R1.3 O=C1CCCCC1 Z104474256 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.3 O=C1CCCCN1 Z168817684 [0,0,0,1,0,0|1,0,0]=2 211 B7R1.3 O=C1CCCCO1 Z432085120 [0,0,0,1,0,0|1,0,0]=2 212 B7R1.3 O=C1CCCCS1 Z1726147018 [0,0,0,1,0,0|1,1,0]=3 213 B7R1.3 O=C1CCCNC1 Z3063726909 [0,0,0,1,0,0|3,0,0]=4 214 B7R1.3 O=C1CCCNN1 Z1416174508 [0,0,0,1,0,0|2,0,0]=3 215 B7R1.3 O=C1CCCSC1 Z979714552 [0,0,0,1,0,0|3,0,0]=4 216 B7R1.3 O=C1CCNCC1 Z1741959513 [0,0,0,1,0,0|3,0,0]=4 217 B7R1.3 O=C1CNCCN1 Z56968535 [0,0,0,1,0,0|2,0,0]=3 218 B7R1.3 O=C1CSCCN1 Z337709368 [0,0,0,1,0,0|2,0,0]=3 219 B7R1.3 O=C1NCCCN1 Z1203730774 [0,0,0,1,0,0|1,0,0]=2 220 B7R1.3 O=C1NCCCO1 Z1198312172 [0,0,0,1,0,0|0,0,0]=1 221 B7R1.3 O=C1NCNCN1 Z1255437058 [0,0,0,1,0,0|2,0,0]=3 222 B7R1.3 O=C1NNCCO1 Z2732442016 [0,0,0,1,0,0|1,0,0]=2 223 B7R1.3 S=C1NCNCN1 Z56756573 [0,0,0,1,0,0|2,1,0]=4 224 B7R1.4 C=C1CCOC1=O Z1255438435 [0,0,0,1,0,0|2,0,1]=4 225 B7R1.4 CC1CCCC1=O Z813018382 [0,0,0,1,0,0|2,0,0]=3 226 B7R1.4 CC1CCNC1=O Z1198147219 [0,0,0,1,0,0|1,0,0]=2 227 B7R1.4 CC1CCNC1C Z1335657674 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.4 CC1NCCC1=O Z2733314209 [0,0,0,1,0,0|3,0,0]=4 229 B7R1.4 CN1C=CNC1=O Z1198329852 [0,0,0,1,0,0|1,0,2]=4 230 B7R1.4 CN1C=NNC1=O Z1526503443 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.4 CN1CCCC1=O Z104478382 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.4 CN1CCNC1=O Z336079928 [0,0,0,1,0,0|1,0,0]=2 233 B7R1.4 CN1CCSC1=N Z3242405392 [0,0,0,1,0,0|3,0,0]=4 234 B7R1.4 CN1CNCC1=O Z1601562352 [0,0,0,1,0,0|3,0,0]=4 235 B7R1.4 NC1CCOC1=O Z56921763 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.4 NC1CCSC1=O Z56922158 [0,0,0,1,0,0|3,0,0]=4 237 B7R1.4 NC1CONC1=O Z336087816 [0,0,0,1,0,0|3,0,0]=4 238 B7R1.4 NN1CCOC1=O Z1198147716 [0,0,0,1,0,0|3,0,0]=4 239 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,0,0,1,0,0|3,0,0]=4 240 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,0,0,1,0,0|3,0,0]=4 241 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.4 O=C1CCCC1Cl Z104492966 [0,0,0,1,0,0|3,0,0]=4 244 B7R1.4 O=C1NCCC1F Z1203745843 [0,0,0,1,0,0|2,0,0]=3 245 B7R1.6 CCNC1CCC1 Z2144245483 [0,0,0,1,0,0|2,0,1]=4 246 B7R1.21 CCCC1(CO1)C Z1020679916 [0,0,0,1,0,0|2,0,1]=4 247 B7R1.22 CNC(=N)C1CC1 Z2120060845 [0,0,0,1,0,0|3,0,0]=4 248 B7R1.22 CNC(=O)C1CC1 Z32016401 [0,0,0,1,0,0|2,0,0]=3 249 B7R1.22 NNC(=O)C1CC1 Z56891400 [0,0,0,1,0,0|3,0,0]=4 250 B7R1.22 O=C(CCl)C1CC1 Z1205657701 [0,0,0,1,0,0|3,0,0]=4 251 B7R1.22 O=C(CO)C1CC1 Z1172087188 [0,0,0,1,0,0|3,0,0]=4 252 B7R1.22 O=C(NO)C1CC1 Z59183989 [0,0,0,1,0,0|3,0,0]=4 253 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|0,0,2]=4 254 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|0,0,2]=4 255 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|1,0,1]=4 256 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,0]=3 257 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|1,0,0]=3 258 B4R0.1 CC(=O)NO Z59181917 [2,0,0,0,0,0|1,0,0]=3 259 B4R0.1 CCC(=N)N Z1741969146 [2,0,0,0,0,0|2,0,0]=4 260 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,0]=3 261 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|0,0,0]=2 262 B4R0.1 CCC(=S)N Z241091446 [2,0,0,0,0,0|1,1,0]=4 263 B4R0.1 CCC(C)N Z104472234 [2,0,0,0,0,0|1,0,1]=4 264 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|0,0,2]=4 265 B4R0.1 CNC(=N)C Z2146515751 [2,0,0,0,0,0|1,0,0]=3 266 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|0,0,0]=2 267 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|1,0,0]=3 268 B4R0.1 COC(=N)N Z1741976783 [2,0,0,0,0,0|1,0,0]=3 269 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|0,0,0]=2 270 B4R0.1 CSC(=N)N Z1741980405 [2,0,0,0,0,0|1,1,0]=4 271 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|2,0,0]=4 272 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|2,0,0]=4 273 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|2,0,0]=4 274 B4R0.1 NC(=O)NO Z1203577934 [2,0,0,0,0,0|2,0,0]=4 275 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|2,0,0]=4 276 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|1,0,0]=3 277 B4R0.1 NNC(=O)N Z104473922 [2,0,0,0,0,0|2,0,0]=4 278 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|1,0,0]=3 279 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|1,0,0]=3 280 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|1,0,1]=4 281 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|1,0,1]=4 282 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [1,1,0,0,0,0|1,0,1]=4 283 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,1,0,0,0,0|1,0,1]=4 284 B6R0.2 CC(=CC(=O)O)C Z104480144 [1,1,0,0,0,0|1,0,1]=4 285 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.2 CC(=O)CC(C)N Z57329385 [1,1,0,0,0,0|1,0,0]=3 287 B6R0.2 CC(=O)NC(=N)N Z1203578060 [1,1,0,0,0,0|1,0,1]=4 288 B6R0.2 CC(=O)NC(=O)N Z104476284 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.2 CC(C)CC(=O)N Z33546511 [1,1,0,0,0,0|2,0,0]=4 290 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|1,0,0]=3 291 B6R0.2 CC(C)NC(=N)N Z1650168329 [1,1,0,0,0,0|2,0,0]=4 292 B6R0.2 CC(C)NC(=O)N Z56887677 [1,1,0,0,0,0|1,0,0]=3 293 B6R0.2 CC(C)NC(=S)N Z56979374 [1,1,0,0,0,0|1,1,0]=4 294 B6R0.2 CC(N)CC(=O)N Z594220690 [1,1,0,0,0,0|2,0,0]=4 295 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|1,0,0]=3 296 B6R0.2 CC(N)CS(=O)C Z1238793449 [1,1,0,0,0,0|2,0,0]=4 297 B6R0.2 CN(C)CC(=O)O Z235580496 [1,1,0,0,0,0|2,0,0]=4 298 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|1,0,0]=3 299 B6R0.3 CC(CN)C(=O)O Z431542704 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.3 CC(CO)C(=O)O Z431541400 [1,1,0,0,0,0|2,0,0]=4 301 B6R0.3 CCC(C)C(=O)N Z270978420 [1,1,0,0,0,0|2,0,0]=4 302 B6R0.3 CCC(C)C(=O)O Z237374874 [1,1,0,0,0,0|1,0,0]=3 303 B6R0.3 CCC(N)C(=O)O Z104495144 [1,1,0,0,0,0|1,0,0]=3 304 B6R0.3 CCC(O)C(=O)N Z965049008 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.3 CCC(O)C(=O)O Z246073650 [1,1,0,0,0,0|1,0,0]=3 306 B6R0.3 CCN(C)C(=N)N Z1718490393 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,1,0,0,0,0|1,0,0]=3 308 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,1,0,0,0,0|1,0,0]=3 309 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,1,0,0,0,0|1,0,0]=3 310 B6R0.3 CNC(C)C(=O)O Z1278590830 [1,1,0,0,0,0|2,0,0]=4 311 B6R0.3 COC(C)C(=O)C Z447898138 [1,1,0,0,0,0|2,0,0]=4 312 B6R0.3 COC(C)C(=O)O Z316258898 [1,1,0,0,0,0|2,0,0]=4 313 B6R0.3 CSC(C)C(=O)O Z149191750 [1,1,0,0,0,0|2,0,0]=4 314 B6R0.3 NC(CO)C(=O)O Z57396986 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.3 NC(CS)C(=O)O Z966690626 [1,1,0,0,0,0|2,0,0]=4 316 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,1,0,0,0,0|2,0,0]=4 317 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,1,0,0,0,0|2,0,0]=4 318 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [1,1,0,0,0,0|2,0,0]=4 319 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,1,0,0,0,0|2,0,0]=4 320 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [1,1,0,0,0,0|2,0,0]=4 322 B6R0.4 C#CCCC(=O)O Z295890062 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.4 C#CCNC(=O)C Z220957448 [1,1,0,0,0,0|0,0,1]=3 324 B6R0.4 C#CCNC(=O)N Z198194920 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.4 C=CCCC(=O)C Z406376894 [1,1,0,0,0,0|1,0,1]=4 326 B6R0.4 C=CCCC(=O)O Z995028722 [1,1,0,0,0,0|1,0,1]=4 327 B6R0.4 C=CCNC(=O)C Z32064466 [1,1,0,0,0,0|0,0,1]=3 328 B6R0.4 C=CCNC(=O)N Z56904662 [1,1,0,0,0,0|1,0,1]=4 329 B6R0.4 CC(=O)CCC#N Z1251352415 [1,1,0,0,0,0|1,0,1]=4 330 B6R0.4 CC(=O)NCCCl Z57983106 [1,1,0,0,0,0|0,0,0]=2 331 B6R0.4 CC(=O)OCCN Z1973465551 [1,1,0,0,0,0|1,0,0]=3 332 B6R0.4 CC(C)NCCN Z3375885739 [1,1,0,0,0,0|1,0,1]=4 333 B6R0.4 CC(C)NCCO Z137800940 [1,1,0,0,0,0|1,0,1]=4 334 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|1,0,0]=3 335 B6R0.4 CCC#CC(=O)O Z1205493735 [1,1,0,0,0,0|1,0,0]=3 336 B6R0.4 CCCCC(=O)N Z104476278 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|1,0,0]=3 338 B6R0.4 CCCNC(=O)C Z33030314 [1,1,0,0,0,0|0,0,0]=2 339 B6R0.4 CCCNC(=S)N Z56930715 [1,1,0,0,0,0|1,1,0]=4 340 B6R0.4 CCCOC(=O)N Z1198148877 [1,1,0,0,0,0|2,0,0]=4 341 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|1,0,0]=3 342 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|0,0,0]=2 343 B6R0.4 CCNCC(C)C Z380844664 [1,1,0,0,0,0|1,0,1]=4 344 B6R0.4 CCNCC(C)O Z138692768 [1,1,0,0,0,0|0,0,2]=4 345 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|1,0,0]=3 346 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|1,0,0]=3 347 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|1,0,0]=3 348 B6R0.4 COCCC(=O)N Z394696458 [1,1,0,0,0,0|2,0,0]=4 349 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|1,0,0]=3 350 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,1,0,0,0,0|1,0,1]=4 351 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|1,0,0]=3 352 B6R0.4 N#CCNC(=O)N Z600498544 [1,1,0,0,0,0|1,0,1]=4 353 B6R0.4 N=C(N)NCCN Z2235813444 [1,1,0,0,0,0|2,0,0]=4 354 B6R0.4 N=C(N)NCCO Z911465228 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|2,0,0]=4 356 B6R0.4 NC(=O)NCCF Z1203582184 [1,1,0,0,0,0|1,0,0]=3 357 B6R0.4 NC(=O)OCCO Z1198158440 [1,1,0,0,0,0|2,0,0]=4 358 B6R0.4 NCCCC(=O)N Z398513418 [1,1,0,0,0,0|2,0,0]=4 359 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|1,0,0]=3 360 B6R0.4 NCCCS(=O)O Z1203579399 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.4 NCCNC(=O)N Z1268152381 [1,1,0,0,0,0|1,0,0]=3 362 B6R0.4 NCCOC(=O)N Z1587257433 [1,1,0,0,0,0|2,0,0]=4 363 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,1,0,0,0,0|1,0,1]=4 364 B6R0.4 O=C(O)C#CCO Z1198169479 [1,1,0,0,0,0|1,0,1]=4 365 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|1,0,0]=3 366 B6R0.5 CCNS(=O)(=O)C Z53825320 [1,1,0,0,0,0|1,0,0]=3 367 B6R0.6 CCNCCCF Z1203824341 [1,1,0,0,0,0|1,0,1]=4 368 B6R0.6 CCNCCCO Z138139914 [1,1,0,0,0,0|1,0,1]=4 369 B6R0.6 CCNCCSC Z2412193591 [1,1,0,0,0,0|0,1,1]=4 370 B6R0.6 CNCCCOC Z137847932 [1,1,0,0,0,0|1,0,1]=4 371 B6R0.6 COCCCCO Z431605254 [1,1,0,0,0,0|1,0,1]=4 372 B6R0.6 CONCCCN Z2492414217 [1,1,0,0,0,0|2,0,0]=4 373 B6R0.8 COP(=O)([S-])OC Z3670332895 [1,1,0,0,0,0|2,0,0]=4 374 B6R0.8 COS(=O)(=O)OC Z104473216 [1,1,0,0,0,0|2,0,0]=4 375 B6R0.9 C/N=C(/NC)\SC Z107728778 [1,1,0,0,0,0|1,1,0]=4 376 B6R0.9 CCC(C#N)OC Z851010100 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.9 CCC(CN)OC Z2168541798 [1,1,0,0,0,0|1,0,1]=4 378 B6R0.9 CCC(CO)OC Z1255373272 [1,1,0,0,0,0|0,0,2]=4 379 B6R0.9 CCN(CC)N=O Z1255485632 [1,1,0,0,0,0|2,0,0]=4 380 B6R0.9 CN=C(NC)NC Z1089996514 [1,1,0,0,0,0|2,0,0]=4 381 B6R0.9 CNC(=NN)NC Z1601562190 [1,1,0,0,0,0|2,0,0]=4 382 B8R0.2 CC(C)N(C)C(=O)CCl Z147647322 [0,2,0,0,0,0|2,0,0]=4 383 B8R0.2 CCC(=O)N(C)C(C)C Z280750384 [0,2,0,0,0,0|1,0,0]=3 384 B8R0.2 CCN(C)C(=O)C(C)N Z1450265575 [0,2,0,0,0,0|1,0,0]=3 385 B8R0.2 CNC(=O)C(N)C(C)C Z1449756432 [0,2,0,0,0,0|2,0,0]=4 386 B8R0.2 CNC(=O)[C@@H](N)C(C)C Z1449756441 [0,2,0,0,0,0|2,0,0]=4 387 B8R0.2 COC(=O)C(Br)C(C)Br Z104508924 [0,2,0,0,0,0|1,0,0]=3 388 B8R0.2 COC(=O)C(C)C(=O)C Z839827758 [0,2,0,0,0,0|1,0,1]=4 389 B8R0.2 COC(=O)C(N)C(C)C Z2335631495 [0,2,0,0,0,0|1,0,0]=3 390 B8R0.2 COC(=O)C(N)C(C)O Z1695799434 [0,2,0,0,0,0|1,0,0]=3 391 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)F Z4353916280 [0,2,0,0,0,0|1,0,0]=3 392 B8R0.5 CC(C)NC(=O)CC#N Z56838570 [0,2,0,0,0,0|1,0,1]=4 393 B8R0.5 CC(C)NC(=O)CCCl Z239813378 [0,2,0,0,0,0|1,0,0]=3 394 B8R0.5 CC(C)NC(=O)CCN Z426041532 [0,2,0,0,0,0|1,0,0]=3 395 B8R0.5 CC(C)OC(=O)CCN Z147652234 [0,2,0,0,0,0|2,0,0]=4 396 B8R0.5 CCNC(=O)CC(C)O Z1203750199 [0,2,0,0,0,0|1,0,0]=3 397 B8R0.5 CCOC(=N)CC(C)C Z1374778812 [0,2,0,0,0,0|2,0,0]=4 398 B8R0.5 CCOC(=O)CC(=O)C Z104473158 [0,2,0,0,0,0|1,0,1]=4 399 B8R0.5 CNCC(=O)NC(C)C Z46191420 [0,2,0,0,0,0|1,0,0]=3 400 B8R0.5 COCC(=O)OC(C)C Z53836826 [0,2,0,0,0,0|1,0,0]=3 401 B8R0.19 CCC(C)NC(=O)CCl Z56853748 [0,2,0,0,0,0|2,0,0]=4 402 B8R0.19 CNC(=O)NC(=O)CCl Z56895734 [0,2,0,0,0,0|1,0,1]=4 403 B8R0.19 COC(=O)CC(C)SC Z732206678 [0,2,0,0,0,0|1,0,0]=3 404 B8R0.19 COC(=O)NC(=O)CCl Z57014427 [0,2,0,0,0,0|0,0,1]=3 405 B8R0.19 COC(=O)NC(=O)CI Z1250132865 [0,2,0,0,0,0|0,0,1]=3 406 B8R0.23 CC(C)NC(=O)C(C)Cl Z85917590 [0,2,0,0,0,0|1,0,0]=3 407 B8R0.23 CC(C)NC(=O)C(C)N Z1449741458 [0,2,0,0,0,0|1,0,0]=3 408 B8R0.23 CC(C)NC(=O)C(C)O Z431951892 [0,2,0,0,0,0|1,0,0]=3 409 B8R0.23 CC(C)OC(=O)[C@@H](C)N Z1431904013 [0,2,0,0,0,0|2,0,0]=4 410 B8R0.24 C=CC(=O)NC(C)(C)C Z440633548 [0,2,0,0,0,0|1,0,1]=4 411 B8R0.24 CC(C)(C)NC(=O)CCl Z56853749 [0,2,0,0,0,0|2,0,0]=4 412 B8R0.24 CC(C)(C)NC(=O)CN Z94601176 [0,2,0,0,0,0|2,0,0]=4 413 B8R0.24 CC(C)(C)NC(=O)CO Z431952026 [0,2,0,0,0,0|2,0,0]=4 414 B8R0.24 CNC(=O)CC(C)(C)N Z1457934971 [0,2,0,0,0,0|2,0,0]=4 415 B8R0.24 CNC(=O)OC(C)(C)C Z558479240 [0,2,0,0,0,0|2,0,0]=4 416 B8R0.24 COC(=O)CC(C)(C)N Z1203579568 [0,2,0,0,0,0|1,0,0]=3 417 B8R0.24 COC(=O)CC(C)(C)O Z2242043764 [0,2,0,0,0,0|1,0,0]=3 418 B8R0.1 C#CCNC(=O)CCN Z4191042568 [0,2,0,0,0,0|1,0,1]=4 419 B8R0.1 C=CCCC(=O)CCC Z406377524 [0,2,0,0,0,0|2,0,0]=4 420 B8R0.1 CCCNC(=O)CC#N Z169918900 [0,2,0,0,0,0|1,0,1]=4 421 B8R0.1 CCCNC(=O)CNC Z56979317 [0,2,0,0,0,0|1,0,0]=3 422 B8R0.1 CCCOC(=O)OCC Z2375631176 [0,2,0,0,0,0|1,0,0]=3 423 B8R0.1 CCNC(=O)NCCN Z2205958434 [0,2,0,0,0,0|1,0,0]=3 424 B8R0.1 CCNC(=O)NCCO Z425745170 [0,2,0,0,0,0|1,0,0]=3 425 B8R0.1 CCNCC(=O)NCC Z55849446 [0,2,0,0,0,0|1,0,0]=3 426 B8R0.1 CCOC(=O)CCNC Z2240989662 [0,2,0,0,0,0|1,0,0]=3 427 B8R0.1 CCOC(=O)NCCN Z1263820337 [0,2,0,0,0,0|0,0,0]=2 428 B8R0.1 CCOC(=O)NCCO Z31725113 [0,2,0,0,0,0|0,0,0]=2 429 B8R0.1 COCCC(=O)COC Z992968820 [0,2,0,0,0,0|1,0,0]=3 430 B8R0.1 N#CCC(=O)NCCO Z57906863 [0,2,0,0,0,0|1,0,1]=4 431 B8R0.3 C=CCC(N)C(=O)OC Z3067784225 [0,2,0,0,0,0|1,0,1]=4 432 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,2,0,0,0,0|2,0,0]=4 433 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,2,0,0,0,0|2,0,0]=4 434 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,2,0,0,0,0|1,0,0]=3 435 B8R0.3 CCNC(C)C(=O)NC Z2753753273 [0,2,0,0,0,0|1,0,0]=3 436 B8R0.3 CCOC(=O)C(C)C#N Z878438822 [0,2,0,0,0,0|2,0,0]=4 437 B8R0.3 CCOC(=O)C(C)CN Z1350606453 [0,2,0,0,0,0|2,0,0]=4 438 B8R0.3 CCOC(=O)C(C)CO Z852748566 [0,2,0,0,0,0|2,0,0]=4 439 B8R0.3 CCOC(=O)C(C)NC Z2255112515 [0,2,0,0,0,0|2,0,0]=4 440 B8R0.3 CNCC(C)C(=O)NC Z1313717081 [0,2,0,0,0,0|2,0,0]=4 441 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,2,0,0,0,0|1,0,0]=3 442 B8R0.3 COC(=O)N(C)CCO Z371625398 [0,2,0,0,0,0|0,0,0]=2 443 B8R0.6 C=CCOCC(=O)OC Z362807786 [0,2,0,0,0,0|1,0,1]=4 444 B8R0.6 CCCCNC(=O)CCl Z56853747 [0,2,0,0,0,0|2,0,0]=4 445 B8R0.6 CCCCOC(=O)OC Z1238573230 [0,2,0,0,0,0|1,0,0]=3 446 B8R0.6 CCCNCC(=O)NC Z104884728 [0,2,0,0,0,0|1,0,0]=3 447 B8R0.6 CCCNCC(=O)OC Z1836338844 [0,2,0,0,0,0|0,0,0]=2 448 B8R0.6 CNC(=O)CCCCN Z5282835224 [0,2,0,0,0,0|2,0,0]=4 449 B8R0.6 CNC(=O)COCCN Z1457935024 [0,2,0,0,0,0|2,0,0]=4 450 B8R0.6 CNC(=O)NCCCN Z3475808324 [0,2,0,0,0,0|1,0,0]=3 451 B8R0.6 CNC(=O)NCCCO Z177090148 [0,2,0,0,0,0|1,0,0]=3 452 B8R0.6 CNC(=O)OCCCN Z3465972444 [0,2,0,0,0,0|2,0,0]=4 453 B8R0.6 CNCCCC(=O)NC Z1457934887 [0,2,0,0,0,0|2,0,0]=4 454 B8R0.6 CNCCCC(=O)OC Z415636552 [0,2,0,0,0,0|1,0,0]=3 455 B8R0.6 COC(=O)CCCC#N Z415715362 [0,2,0,0,0,0|1,0,0]=3 456 B8R0.6 COC(=O)CCCCN Z854942764 [0,2,0,0,0,0|1,0,0]=3 457 B8R0.6 COC(=O)CCN=C=S Z237517204 [0,2,0,0,0,0|1,0,1]=4 458 B8R0.6 COC(=O)NCCCN Z3772660622 [0,2,0,0,0,0|0,0,0]=2 459 B8R0.6 COCCNC(=O)CCl Z56887684 [0,2,0,0,0,0|2,0,0]=4 460 B8R0.8 C#CCNC(=O)N(C)C Z208334488 [0,2,0,0,0,0|1,0,1]=4 461 B8R0.8 C=CCNC(=O)C(C)Cl Z147652100 [0,2,0,0,0,0|1,0,1]=4 462 B8R0.8 CC(N)C(=O)NCCF Z1992147476 [0,2,0,0,0,0|1,0,0]=3 463 B8R0.8 CC(N)C(=O)NCCN Z1080379186 [0,2,0,0,0,0|1,0,0]=3 464 B8R0.8 CCCNC(=O)C(C)Cl Z147652134 [0,2,0,0,0,0|1,0,0]=3 465 B8R0.8 CCCNC(=O)C(C)N Z89265000 [0,2,0,0,0,0|1,0,0]=3 466 B8R0.8 CCNCC(=O)N(C)C Z104765936 [0,2,0,0,0,0|1,0,0]=3 467 B8R0.8 CN(C)C(=O)CCCN Z815264106 [0,2,0,0,0,0|2,0,0]=4 468 B8R0.8 CN(C)C(=O)CCCO Z839108358 [0,2,0,0,0,0|2,0,0]=4 469 B8R0.8 CN(C)C(=O)NCCO Z208334210 [0,2,0,0,0,0|1,0,0]=3 470 B8R0.8 CN(C)C(=O)OCCN Z2517220618 [0,2,0,0,0,0|2,0,0]=4 471 B8R0.8 COCCC(=O)C(C)C Z818737942 [0,2,0,0,0,0|2,0,0]=4 472 B8R0.8 CSCCC(=O)N(C)C Z32013664 [0,2,0,0,0,0|2,0,0]=4 473 B8R0.8 C[C@H](N)C(=O)NCCO Z1398462031 [0,2,0,0,0,0|1,0,0]=3 474 B8R0.9 CC(C)CNC(=O)CCl Z56887734 [0,2,0,0,0,0|2,0,0]=4 475 B8R0.9 CC(C)CNC(=O)CN Z1262246246 [0,2,0,0,0,0|2,0,0]=4 476 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,2,0,0,0,0|1,0,1]=4 477 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [0,2,0,0,0,0|1,0,1]=4 478 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,2,0,0,0,0|1,0,1]=4 479 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,2,0,0,0,0|1,0,1]=4 480 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,2,0,0,0,0|0,0,1]=3 481 B8R0.9 COC(C)CNC(C)C Z991381618 [0,2,0,0,0,0|1,0,1]=4 482 B8R0.11 C/N=C(\NC)/NCCN Z5090006880 [0,2,0,0,0,0|2,0,0]=4 483 B8R0.11 C/N=C(\NC)/NCCO Z911465230 [0,2,0,0,0,0|2,0,0]=4 484 B8R0.25 CCS(=O)(=O)NCCN Z1262327513 [0,2,0,0,0,0|2,0,0]=4 485 B8R0.14 CCCC(=O)C(C)(C)C Z406377804 [0,2,0,0,0,0|2,0,0]=4 486 B8R0.14 CCNC(=O)C(C)(C)C Z54718267 [0,2,0,0,0,0|1,0,0]=3 487 B8R0.14 CCNC(=O)C(C)(C)N Z1449756823 [0,2,0,0,0,0|1,0,0]=3 488 B8R0.14 CCOC(=O)C(C)(C)N Z1263529587 [0,2,0,0,0,0|2,0,0]=4 489 B8R0.14 CCOC(=O)C(C)(F)F Z1201623583 [0,2,0,0,0,0|2,0,0]=4 490 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,2,0,0,0,0|1,0,1]=4 491 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,2,0,0,0,0|1,0,1]=4 492 B8R0.30 CCNS(=O)(=O)CCN Z1266823111 [0,2,0,0,0,0|2,0,0]=4 493 B8R0.13 CCC(C)(N)C(=O)OC Z992717124 [0,2,0,0,0,0|1,0,0]=3 494 B8R0.13 COC(=O)C(C)(C)CN Z1415893842 [0,2,0,0,0,0|2,0,0]=4 495 B8R0.20 CCC(CN)C(=O)OC Z2379806941 [0,2,0,0,0,0|1,0,0]=3 496 B8R0.20 CCC(CO)C(=O)OC Z1255448041 [0,2,0,0,0,0|1,0,0]=3 497 B8R0.20 CCC(NC)C(=O)OC Z1770192987 [0,2,0,0,0,0|1,0,0]=3 498 B8R0.20 CCN(CC)C(=O)CN Z54747470 [0,2,0,0,0,0|2,0,0]=4 499 B8R0.20 COC(=O)C(CBr)CBr Z963753264 [0,2,0,0,0,0|2,0,0]=4 500 B8R0.20 COC(=O)C(CN)CN Z3241252852 [0,2,0,0,0,0|2,0,0]=4 501 B8R0.20 COC(=O)C(OC)OC Z1013699654 [0,2,0,0,0,0|2,0,0]=4 502 B6R1.2 CC1=NCCN1 Z204020260 [1,0,0,1,0,0|1,0,0]=3 503 B6R1.2 CC1=NCCS1 Z104480256 [1,0,0,1,0,0|0,1,1]=4 504 B6R1.2 CC1CCCN1 Z1274177652 [1,0,0,1,0,0|1,0,1]=4 505 B6R1.2 N=C1CCCN1 Z204007506 [1,0,0,1,0,0|1,0,0]=3 506 B6R1.2 NC1=NCCO1 Z336087916 [1,0,0,1,0,0|1,0,1]=4 507 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|1,0,1]=4 508 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|0,0,0]=2 509 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|2,0,0]=4 510 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|1,0,0]=3 511 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,1,0,0|2,0,0]=4 512 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,1,0,0|1,0,0]=3 513 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|0,0,0]=2 514 B6R1.2 O=C1NCCS1 Z55928860 [1,0,0,1,0,0|0,1,0]=3 515 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|1,0,0]=3 516 B6R1.2 O=S1CCCC1 Z278052312 [1,0,0,1,0,0|2,0,0]=4 517 B6R1.2 SC1=NCCN1 Z104497392 [1,0,0,1,0,0|1,1,0]=4 518 B6R1.5 CC1CC(N1)C Z2143576622 [1,0,0,1,0,0|1,0,1]=4 519 B6R1.10 CC1(CCN1)C Z1198749898 [1,0,0,1,0,0|1,0,1]=4 520 B6R1.10 O=S1(=O)CCN1 Z415933552 [1,0,0,1,0,0|1,0,1]=4 521 B6R1.1 C1=CCCCC1 Z104474726 [1,0,0,1,0,0|2,0,0]=4 522 B6R1.1 C1=NCCCN1 Z1198163087 [1,0,0,1,0,0|1,0,0]=3 523 B6R1.1 C1CCONC1 Z1787355355 [1,0,0,1,0,0|2,0,0]=4 524 B6R1.7 CCC1(CO1)C Z1020679924 [1,0,0,1,0,0|1,0,1]=4 525 B8R1.1 CCC1=CNC(=O)N1 Z1198151065 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.1 CCC1=CSC(=O)N1 Z916925862 [0,1,0,1,0,0|0,1,1]=4 527 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,1,0,1,0,0|1,0,0]=3 528 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.1 CCC1COC(=N1)N Z3231924235 [0,1,0,1,0,0|1,0,1]=4 530 B8R1.1 COC1=CC(=NN1)C Z1813157463 [0,1,0,1,0,0|1,0,1]=4 531 B8R1.1 COC1CNC(=O)C1 Z1203749511 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,1,0,1,0,0|1,0,0]=3 536 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,1,0,1,0,0|0,0,0]=2 537 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,1,0,1,0,0|1,0,0]=3 542 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,1,0,1,0,0|1,0,0]=3 543 B8R1.1 O=C1NCC(O1)CCl Z56346848 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,1,0,1,0,0|0,0,0]=2 545 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,1,0,1,0,0|1,0,1]=4 549 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,1,0,1,0,0|1,0,0]=3 551 B8R1.4 CC1CCN=C(N1)N Z3512513301 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,1,0,1,0,0|1,0,0]=3 553 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,1,0,1,0,0|1,0,0]=3 554 B8R1.4 CC1COCC(N1)C Z1255523283 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,1,0,0|1,0,0]=3 557 B8R1.4 O=C1CCCC(=O)N1 Z424792856 [0,1,0,1,0,0|1,0,1]=4 558 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [0,1,0,1,0,0|1,0,1]=4 559 B8R1.4 O=C1CCSC(=O)N1 Z56871611 [0,1,0,1,0,0|0,1,1]=4 560 B8R1.4 O=C1COCC(=O)N1 Z802811418 [0,1,0,1,0,0|1,0,1]=4 561 B8R1.18 CC1=C(NC(=O)N1)C Z147309784 [0,1,0,1,0,0|1,0,1]=4 562 B8R1.18 CC1=C(SC(=O)N1)C Z409413538 [0,1,0,1,0,0|0,1,1]=4 563 B8R1.18 CC1=CC(=O)NN1C Z56822474 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.18 CC1=CN(C(=O)N1)C Z1486021538 [0,1,0,1,0,0|1,0,1]=4 565 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,1,0,1,0,0|1,0,1]=4 566 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,1,0,1,0,0|1,0,0]=3 567 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.18 CC1NC(=O)NC1=O Z56862247 [0,1,0,1,0,0|1,0,1]=4 570 B8R1.18 CN1CC(=O)NC1=O Z104473250 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.18 CN1CC(C(=O)N1)N Z1332661939 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.18 CN1CC(CC1=O)O Z1201051099 [0,1,0,1,0,0|2,0,0]=4 573 B8R1.40 C=CC(=O)NC1CC1 Z276666586 [0,1,0,1,0,0|1,0,1]=4 574 B8R1.40 CNC(=N)NC1CC1 Z1200960752 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.40 COC(=O)CC1CC1 Z380123290 [0,1,0,1,0,0|1,0,0]=3 576 B8R1.40 COC(=O)CC1CO1 Z2689606459 [0,1,0,1,0,0|1,0,0]=3 577 B8R1.40 NCC(=O)NC1CC1 Z94599161 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.40 O=C(CCl)NC1CC1 Z56867231 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.40 O=C(CO)NC1CC1 Z431952008 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [0,1,0,1,0,0|1,0,0]=3 581 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.51 CC1(CN=C(N1)N)C Z1262644333 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.51 CC1(COC(=N1)N)C Z1198155525 [0,1,0,1,0,0|1,0,1]=4 585 B8R1.83 CCC(=O)C1CC1C Z1259336402 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.2 COC1=NCCCC1 Z729471270 [0,1,0,1,0,0|1,0,1]=4 587 B8R1.2 COC1CNCCO1 Z1203748232 [0,1,0,1,0,0|0,0,2]=4 588 B8R1.2 CSC1=NCCCN1 Z104341704 [0,1,0,1,0,0|1,1,0]=4 589 B8R1.2 NCC1=NCCCN1 Z994488026 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.2 O=CC1=CCCCC1 Z1190318865 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.2 O=CC1=COCCO1 Z1198154290 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,1,0,1,0,0|1,0,1]=4 593 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [0,1,0,1,0,0|1,0,1]=4 594 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,1,0,1,0,0|2,0,0]=4 595 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.3 CC1CN=C(NC1)N Z1203586632 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.3 CC1COC(CN1)C Z327218388 [0,1,0,1,0,0|1,0,1]=4 598 B8R1.3 CN1CN=C(NC1)S Z57980315 [0,1,0,1,0,0|1,1,0]=4 599 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,1,0,1,0,0|2,0,0]=4 600 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.3 NC1CNC(=O)NC1 Z4926262838 [0,1,0,1,0,0|1,0,0]=3 602 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,1,0,1,0,0|1,0,1]=4 603 B8R1.3 O=C1NCC(CN1)O Z1198163621 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.5 CC1=C(CNCC1)C Z1966489842 [0,1,0,1,0,0|2,0,0]=4 605 B8R1.5 CC1CCCCC1=O Z104477192 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.5 CC1CCCNC1=O Z1013766916 [0,1,0,1,0,0|1,0,0]=3 607 B8R1.5 CC1CNCCC1=O Z1741969235 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.5 CC1COCCC1=O Z1192338803 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.5 CC1NCCNC1=O Z336079670 [0,1,0,1,0,0|1,0,0]=3 610 B8R1.5 CC1SCCCC1=O Z1359849054 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.5 CC1SCCNC1=O Z1098219156 [0,1,0,1,0,0|1,0,0]=3 612 B8R1.5 CN1CCCN=C1N Z2865417319 [0,1,0,1,0,0|2,0,0]=4 613 B8R1.5 CN1CCNCC1=O Z1250100764 [0,1,0,1,0,0|1,0,0]=3 614 B8R1.5 CN1CNCNC1=O Z5130722475 [0,1,0,1,0,0|1,0,0]=3 615 B8R1.5 NC1CCCCC1=O Z2186882796 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.5 NC1CCCNC1=O Z993991168 [0,1,0,1,0,0|1,0,0]=3 617 B8R1.5 NN1CCCCC1=O Z976663668 [0,1,0,1,0,0|1,0,0]=3 618 B8R1.5 O=C1CCCCC1=O Z90122041 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.5 O=C1NCCCC1F Z1203749514 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.13 O=C1CCN1CCO Z1897885187 [0,1,0,1,0,0|1,0,0]=3 622 B8R1.22 CC1CNCCCO1 Z425722880 [0,1,0,1,0,0|1,0,1]=4 623 B8R1.22 CC1COCCCN1 Z1216819161 [0,1,0,1,0,0|1,0,1]=4 624 B8R1.22 O=C1CCCCCC1 Z104473100 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.22 O=C1CCNCCN1 Z119989554 [0,1,0,1,0,0|1,0,0]=3 626 B8R1.22 O=C1CCOCCN1 Z821098578 [0,1,0,1,0,0|1,0,0]=3 627 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,1,0,1,0,0|1,0,0]=3 628 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,1,0,1,0,0|1,0,0]=3 629 B8R1.22 O=C1COCCCN1 Z1203733065 [0,1,0,1,0,0|0,0,0]=2 630 B8R1.38 C=CC(=O)N1CCC1 Z440634168 [0,1,0,1,0,0|1,0,1]=4 631 B8R1.38 CCC(=O)C1CCC1 Z1251352405 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.38 CNC(=O)C1CNC1 Z1651744906 [0,1,0,1,0,0|2,0,0]=4 633 B8R1.38 COC(=O)C1CCC1 Z18374544 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.38 O=C(CCl)N1CCC1 Z57039583 [0,1,0,1,0,0|2,0,0]=4 635 B8R1.46 CCN1CC(C1=O)N Z1633398454 [0,1,0,1,0,0|1,0,0]=3 636 B8R1.50 CC1=C(C(=O)NN1)C Z1198151644 [0,1,0,1,0,0|1,0,1]=4 637 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,1,0,1,0,0|1,0,1]=4 638 B8R1.50 CC1=NNC(=O)N1C Z1504678222 [0,1,0,1,0,0|1,0,1]=4 639 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,1,0,0|1,0,0]=3 642 B8R1.50 CN1C(=O)CNC1=O Z54599682 [0,1,0,1,0,0|1,0,1]=4 643 B8R1.50 CN1C(=O)COC1=O Z1618025816 [0,1,0,1,0,0|1,0,1]=4 644 B8R1.50 CN1CCN(C1=N)C Z3847494837 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.50 CN1CCN(C1=O)C Z56755571 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.50 N[C@H]1C(=O)NC[C@@H]1O Z5183356392 [0,1,0,1,0,0|2,0,0]=4 647 B8R1.52 COC1(CCNC1)C Z2237598976 [0,1,0,1,0,0|1,0,1]=4 648 B8R1.7 CC(N)C1=NCCN1 Z2754060679 [0,1,0,1,0,0|2,0,0]=4 649 B8R1.19 CC1(CCCC1=O)C Z1238544226 [0,1,0,1,0,0|2,0,0]=4 650 B8R1.19 CC1(CCNC1=O)C Z1201628732 [0,1,0,1,0,0|1,0,0]=3 651 B8R1.19 CC1(CCNC1=O)N Z2718904456 [0,1,0,1,0,0|1,0,0]=3 652 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,1,0,1,0,0|2,0,0]=4 654 B8R1.19 CN1CCNS1(=O)=O Z1198163791 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.37 CCOC(=O)[C@@H]1CO1 Z1255450225 [0,1,0,1,0,0|1,0,0]=3 656 B8R1.37 CCOC(=O)[C@H]1CO1 Z1255372614 [0,1,0,1,0,0|1,0,0]=3 657 B8R1.37 COCC(=O)C1CC1 Z1172086177 [0,1,0,1,0,0|1,0,0]=3 658 B8R1.8 CCNC1=NN=CO1 Z1823617731 [0,1,0,1,0,0|1,0,1]=4 659 B8R1.8 COCC1CCCN1 Z1342208414 [0,1,0,1,0,0|1,0,1]=4 660 B8R1.11 CCC1CCCC1=O Z813018310 [0,1,0,1,0,0|2,0,0]=4 661 B8R1.11 CCC1CCNC1=O Z1203732458 [0,1,0,1,0,0|1,0,0]=3 662 B8R1.11 CCN1C=CNC1=O Z1198329853 [0,1,0,1,0,0|1,0,1]=4 663 B8R1.11 CCN1CCCC1=O Z1255438420 [0,1,0,1,0,0|1,0,0]=3 664 B8R1.11 CCN1CCNC1=O Z1179328150 [0,1,0,1,0,0|1,0,0]=3 665 B8R1.11 CCN1N=CCC1=O Z3477438900 [0,1,0,1,0,0|1,0,1]=4 666 B8R1.11 CO[C@@H]1CCN[C@@H]1C Z4509390435 [0,1,0,1,0,0|1,0,1]=4 667 B8R1.11 CSC1=NCCN1C Z1269243967 [0,1,0,1,0,0|1,1,0]=4 668 B8R1.11 O=C1CCCN1CO Z56755633 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.11 O=C1NCCC1CO Z1203746842 [0,1,0,1,0,0|1,0,0]=3 670 B8R1.39 CNC(=O)C1(CC1)N Z1457934833 [0,1,0,1,0,0|2,0,0]=4 671 B8R1.39 COC(=O)C1(CC1)N Z1552027431 [0,1,0,1,0,0|1,0,0]=3 672 B8R1.39 COC(=O)C1(CO1)C Z1255365078 [0,1,0,1,0,0|2,0,0]=4 673 B8R1.72 O=S1(=O)CCCCN1 Z1201622708 [0,1,0,1,0,0|2,0,0]=4 674 B8R1.72 O=S1(=O)NCCCN1 Z1551944962 [0,1,0,1,0,0|2,0,0]=4 675 B8R1.33 COC(C=O)C1CC1 Z2178582006 [0,1,0,1,0,0|1,0,1]=4 676 B8R1.60 COC1(CCC1)C=O Z2098816729 [0,1,0,1,0,0|1,0,1]=4 677 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,2,0,0|1,0,0]=3 678 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,2,0,0|1,0,0]=3