0 B7R0.7 C#CCN(C)CCO Z137708158 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.7 CCCC(C)CCN Z2768767726 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.7 CCCC(C)CNC Z3214687920 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.7 CCCC(O)CCO Z1198158209 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.7 CCNC(=O)CCCl Z239813542 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.7 NCCC(N)CCN Z4461966452 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.7 NCCC(O)CCN Z4497194547 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.1 CC(CN)CCO Z1203581915 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 CC(CO)CCN Z5410631465 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.1 CCC(C)CNC Z1266854907 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.1 CCC(N)CCO Z1258578227 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 CCC(O)CCN Z406342052 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CCC(O)CCO Z1198157972 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 CCCC(C)NC Z394693580 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 CCCC(N)CC Z1642389626 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 CCCN(C)N=O Z1198147496 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.1 CCNC(C)CC Z2509351098 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.1 CCS(=O)CCN Z1266854910 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 CNC(=O)CCCl Z239813512 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.1 CNC(C)CCO Z1198266877 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.1 COC(C)CCN Z802903932 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.1 CSC(C)CCN Z732208464 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.1 CSC(C)CCO Z1262258908 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.6 C#CCNCCC Z815264308 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.6 C#CCNCCF Z3325124018 [1,0,0,0,0,0|1,1,1]=4 25 B6R0.6 C=CCNCCO Z137800938 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.6 CCCCCCO Z104473568 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.6 CCCNCC#N Z235653524 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.6 CCCOCCN Z4449042604 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.6 ClCCNCCCl Z57388616 [1,0,0,0,0,0|0,0,0]=1 30 B6R0.6 FCCNCCF Z4880681336 [1,0,0,0,0,0|0,2,0]=3 31 B6R0.6 NCCCCCF Z3524160733 [1,0,0,0,0,0|2,1,0]=4 32 B6R0.6 NCCCCCN Z951173830 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.6 NCCNCCN Z104475186 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.6 OCCNCCO Z104475196 [1,0,0,0,0,0|2,0,0]=3 35 B8R0.1 CNCCN(C)CCO Z2526438856 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.1 COCCN(C)CCN Z415691186 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.3 CCC(C)N(C)CCN Z409206004 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.3 CCCC(C)C(N)CO Z2379035176 [0,1,0,0,0,0|3,0,0]=4 39 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.22 CCCC(CN)CCO Z1269766401 [0,1,0,0,0,0|3,0,0]=4 41 B8R0.22 CCCN(CC)CCN Z409194874 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.4 CC1CCCC(C1)N Z367450918 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.4 CC1CN(CCN1)C Z1162470821 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.4 CN1CC(CCO1)O Z5948414894 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.4 CN1CCCC(C1)N Z600584196 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.4 C[C@@H]1CCN[C@@H](C1)C Z2309899803 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.4 C[C@@H]1CN(CCN1)C Z3379438692 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.6 CC1CC(C1)CCN Z4810246631 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.6 NCCC1CC(C1)O Z1868316842 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.6 NCC[C@H]1C[C@H](C1)O Z2310717957 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.8 C#CCN1CCCC1 Z1511513967 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.8 CCCC1CCNC1 Z940902738 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.8 CCCN1CCCC1 Z4634999686 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.8 ClCCN1CCCC1 Z104489566 [0,0,0,1,0,0|1,0,0]=2 56 B8R1.8 N#CCN1CCCC1 Z168893456 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.8 NCCC1CCCC1 Z398556750 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.8 NCCN1CCCC1 Z812516900 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.8 OCCC1CCCC1 Z397587408 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.8 OCCC1CCNC1 Z1198184196 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.8 OCCC1CCOC1 Z1138844344 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.8 OCCN1CCCC1 Z104477730 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.11 C#CC1CCCN1C Z3668963393 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.11 CC1CCNC1CO Z1203831515 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.11 CCC1NCCC1C Z1723849174 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.11 CN1CCCC1CN Z326202522 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.17 CCC[C@@H]1C[C@H]1CN Z3247491743 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.22 CC1CCCNCC1 Z425362298 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.22 CN1CCCNCC1 Z104479254 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.37 C#CCN(C)C1CC1 Z2472857250 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.66 CC1(CCC1)CCN Z1203642381 [0,0,0,1,0,0|3,0,0]=4 72 B5R0.1 CC(C)CCO Z104473558 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.1 CN(C)CCF Z5487577684 [2,0,0,0,0,0|0,1,0]=3 74 B5R0.1 CN(C)CCO Z104473552 [2,0,0,0,0,0|1,0,0]=3 75 B5R0.1 CN(C)CCS Z362025514 [2,0,0,0,0,0|1,0,0]=3 76 B5R0.2 C#CCNCC Z815264056 [2,0,0,0,0,0|1,0,1]=4 77 B5R0.2 C=CCNCC Z2044769224 [2,0,0,0,0,0|1,0,1]=4 78 B5R0.2 CCCCCN Z104472246 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.2 CCCNCC Z138446288 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.2 CCNCC#N Z235583784 [2,0,0,0,0,0|1,0,1]=4 81 B5R0.2 CCNCCF Z1198305484 [2,0,0,0,0,0|0,1,0]=3 82 B5R0.2 CCNCCO Z1258992395 [2,0,0,0,0,0|1,0,0]=3 83 B5R0.2 CCNOCC Z223690220 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.2 CCOCCN Z271005962 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.2 CCOCCO Z104473122 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.2 CCSCCN Z3061111063 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.2 NCCCCF Z2177031126 [2,0,0,0,0,0|1,1,0]=4 88 B5R0.2 NCCCCN Z104472592 [2,0,0,0,0,0|2,0,0]=4 89 B5R0.3 CCC(=O)CC Z104476878 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.3 CCC(C)CN Z2350903977 [2,0,0,0,0,0|2,0,0]=4 91 B5R0.3 CCC(C)NC Z594038230 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.3 CCN(C)C=O Z1258520870 [2,0,0,0,0,0|1,0,1]=4 93 B5R0.3 CCN(C)N=O Z1198147516 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.2 CCC(C)CC(C)N Z2472857681 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.2 CCN(C)CC(=O)O Z1459897022 [1,1,0,0,0,0|1,0,1]=4 96 B7R0.3 C#CCCN(C)CC Z3024739244 [1,1,0,0,0,0|1,0,0]=3 97 B7R0.3 CCC(C)NCCO Z335251014 [1,1,0,0,0,0|2,0,0]=4 98 B7R0.3 CCNCC(C)CC Z335456758 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.5 C#CCN(C)C(C)C Z2863519293 [1,1,0,0,0,0|1,0,1]=4 100 B7R0.5 CC(C)C(C)CCN Z4760484132 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.5 CCCC(C)C(C)N Z2737299926 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.10 CCC(C)C(N)CO Z1255523308 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.10 CCC(C)C(O)CC Z1138194601 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.10 CCC(C)C(O)CN Z802901690 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.10 CCN(C)C(=O)CN Z409025350 [1,1,0,0,0,0|1,0,1]=4 106 B7R0.11 CCC(C)(C)CCN Z2724442932 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.11 CCC(C)(C)CCO Z1198160090 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.12 CCC(CC)CCO Z1198174469 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.12 CCN(CC)CC#N Z56968509 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.12 CCN(CC)CCN Z104472254 [1,1,0,0,0,0|1,0,0]=3 111 B7R0.1 COCCNCCF Z2512872814 [1,1,0,0,0,0|1,1,0]=4 112 B7R0.1 COCCNCCN Z2940670642 [1,1,0,0,0,0|2,0,0]=4 113 B7R0.1 COCCNCCO Z266088374 [1,1,0,0,0,0|2,0,0]=4 114 B7R0.1 ClCCCNCCCl Z2242062238 [1,1,0,0,0,0|0,0,0]=2 115 B7R0.1 N#CCCNCCO Z53116581 [1,1,0,0,0,0|2,0,0]=4 116 B7R0.1 OCCCNCCO Z104654390 [1,1,0,0,0,0|2,0,0]=4 117 B7R0.4 CC(C)CNCCO Z3269089575 [1,1,0,0,0,0|2,0,0]=4 118 B7R0.4 CCCNCC(C)C Z90518190 [1,1,0,0,0,0|2,0,0]=4 119 B7R0.4 CCCNCC(F)F Z1262250827 [1,1,0,0,0,0|1,1,0]=4 120 B7R0.4 OCCNCC(F)F Z608352548 [1,1,0,0,0,0|1,1,0]=4 121 B9R0.4 CNCCN(C)CC(F)F Z2143571669 [0,2,0,0,0,0|1,1,0]=4 122 B9R0.5 COCCCN(C)CCN Z608346606 [0,2,0,0,0,0|2,0,0]=4 123 B9R0.8 CN(CCC#N)C(=O)CCl Z56887682 [0,2,0,0,0,0|1,0,1]=4 124 B9R0.18 CN(CCC#N)CCC#N Z138226822 [0,2,0,0,0,0|2,0,0]=4 125 B9R0.18 COCCN(C)CCCN Z319975860 [0,2,0,0,0,0|2,0,0]=4 126 B9R0.18 O=C(NCCCl)NCCCl Z1198149941 [0,2,0,0,0,0|2,0,0]=4 127 B9R0.48 CCCN(C)CCC(=O)O Z1259273124 [0,2,0,0,0,0|2,0,0]=4 128 B9R0.48 CN(CCO)CCC(=O)O Z53116523 [0,2,0,0,0,0|2,0,0]=4 129 B9R0.14 CCN(CCN)CC(C)C Z1868350141 [0,2,0,0,0,0|2,0,0]=4 130 B9R0.14 CCN(CCN)CC(F)F Z1827898022 [0,2,0,0,0,0|1,1,0]=4 131 B9R0.44 CCCN(C)CC(C)(C)N Z801831774 [0,2,0,0,0,0|2,0,0]=4 132 B9R0.44 CN(CCO)CC(F)(F)F Z600389232 [0,2,0,0,0,0|1,1,0]=4 133 B9R0.15 CC(=O)N(CCO)CCO Z797582614 [0,2,0,0,0,0|2,0,0]=4 134 B9R0.17 C#CCN(CCO)CCO Z138130118 [0,2,0,0,0,0|2,0,0]=4 135 B7R1.1 CCC1CCNC1 Z1407004100 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.2 CC1CCC(C1)O Z1233224917 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.2 CN1CCC(=O)C1 Z415646350 [1,0,0,1,0,0|1,0,1]=4 138 B7R1.3 CN1CCNCC1 Z57834041 [1,0,0,1,0,0|1,0,0]=3 139 B7R1.4 CC1CCNC1C Z1335657674 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.5 CC1CC1CCN Z4888675966 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.6 NCCC1CCC1 Z1405445718 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.6 NCCN1CCC1 Z1203582961 [1,0,0,1,0,0|1,0,0]=3 143 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.9 ClC[C@H]1O[C@H]1CCl Z1205660922 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.10 CCC1CC(C1)N Z4130021870 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.11 C[C@H]1C([C@@H]1C)CN Z4165830246 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.21 CC1(CC1)CCO Z1813155991 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.7 FCCNC1CC1 Z5629279666 [1,0,0,1,0,0|1,1,0]=4 149 B7R1.7 NCCNC1CC1 Z756920128 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.7 OCCNC1CC1 Z285050134 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.24 C1=CCCNCC1 Z1255363448 [1,0,0,1,0,0|2,0,0]=4 152 B7R1.24 C1CCCNCC1 Z57127566 [1,0,0,1,0,0|2,0,0]=4 153 B7R1.24 C1CNCCOC1 Z359510198 [1,0,0,1,0,0|2,0,0]=4 154 B7R1.24 C1CNCCSC1 Z1954803255 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.24 C1CSSCCN1 Z1203735354 [1,0,0,1,0,0|2,0,0]=4 156 B9R1.2 C#CC1CCCN(C1)C Z3303704823 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.2 CCN1CCCC(C1)N Z736883394 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.2 CCN1CCCC(C1)O Z104478102 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.2 CN1CCCC(C1)CCl Z1449592184 [0,1,0,1,0,0|1,0,0]=3 160 B9R1.2 CN1CCCC(C1)CO Z103740616 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.2 CN1CCOC(C1)C#N Z1141967144 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.2 CN1CCOC(C1)CN Z803081680 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.2 CN1CCOC(C1)CO Z1255388024 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.7 CC1CCN(C1)CCO Z785808944 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.8 ClCCN1CCCCC1 Z235354563 [0,1,0,1,0,0|1,0,0]=3 166 B9R1.8 ClCCN1CCOCC1 Z104490276 [0,1,0,1,0,0|1,0,0]=3 167 B9R1.8 FCCN1CCNCC1 Z1203734738 [0,1,0,1,0,0|1,1,0]=4 168 B9R1.8 NCCN1CC=CCC1 Z1946684598 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.8 NCCN1CCNCC1 Z57127897 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.8 NCCN1CCOCC1 Z104477830 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.8 OCCN1CCCCC1 Z104479032 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.8 OCCN1CCNCC1 Z104477190 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.8 OCCN1CCOCC1 Z104474266 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.8 OCCN1CCSCC1 Z425793720 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.8 SCCN1CCOCC1 Z220616938 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.12 CNCCN1CCCC1 Z138105840 [0,1,0,1,0,0|2,0,0]=4 177 B9R1.15 CN1CCNCC1CF Z2753009171 [0,1,0,1,0,0|1,1,0]=4 178 B9R1.15 CN1CCNCC1CN Z1255445303 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.15 CN1CCNCC1CO Z2738358229 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.33 CN1CCCC1CCN Z1255415415 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.33 CN1CCCC1CCO Z607750234 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.33 CNCC1CCCN1C Z827158786 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.48 CC1CNCCN(C1)C Z825716170 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.48 CN1CCNCC(C1)O Z2310716518 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.49 CN1CCCC(CC1)N Z2310677587 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.50 CN1CCCNCCC1 Z2310677612 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.69 CC1CN(CCC1=O)C Z825753356 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.69 CC1CN(CCC1N)C Z825754008 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.100 CNCCN(C)C1CC1 Z409099912 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.3 CC1NCCN(C1C)C Z1509112476 [0,1,0,1,0,0|2,0,0]=4 191 B9R1.11 CC(CN)N1CCCC1 Z228571104 [0,1,0,1,0,0|2,0,0]=4 192 B9R1.11 C[C@@H](CN)N1CCCC1 Z4663210446 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.11 O=C(CCl)N1CCCC1 Z56896279 [0,1,0,1,0,0|1,0,1]=4 194 B9R1.101 CC(CN)N(C)C1CC1 Z409097288 [0,1,0,1,0,0|2,0,0]=4 195 B9R1.101 CN(C(=O)CCl)C1CC1 Z409098332 [0,1,0,1,0,0|1,0,1]=4 196 B9R1.202 CN1CCCC1(C)CO Z4918241999 [0,1,0,1,0,0|2,0,0]=4 197 B9R1.34 CC1CN(CC(O1)C)C Z1983079496 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.38 CN1CC(C(C1)(C)C)N Z2899610388 [0,1,0,1,0,0|2,0,0]=4 199 B9R1.66 CN1CCNC(C1)(C)C Z1198266835 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.23 CCN1CC(C(C1)N)C Z1268671316 [0,1,0,1,0,0|2,0,0]=4 201 B9R1.89 CCN1CCCNCC1 Z239604554 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.36 O=S1(=O)CC(C(C1)Cl)Cl Z56872217 [0,1,0,1,0,0|2,0,0]=4 203 B9R2.8 CN1CC2CC(C1)N2 Z3013893659 [0,0,0,2,0,0|2,0,0]=4 204 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 Z3235903377 [0,0,0,2,0,0|2,0,0]=4 205 B9R2.39 NC1CN2CCC1C2 Z3490555917 [0,0,0,2,0,0|2,0,0]=4 206 B9R2.39 OC1CN2CCC1C2 Z1270446274 [0,0,0,2,0,0|2,0,0]=4 207 B9R2.68 C1CN2CCC(C2)N1 Z2234631228 [0,0,0,2,0,0|2,0,0]=4 208 B9R2.87 CN(C1CC1)C2CC2 Z1649893029 [0,0,0,2,0,0|2,0,0]=4