0 B10R0.4 CC(=O)OCCCCCCN Z5197785028 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.4 CCCCCCCCC(=O)N Z296759818 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.4 CCCCCCCCC(=O)O Z104473336 [0,0,0,0,0,0|3,0,1]=4 3 B10R0.4 CCCCCCCCS(=O)C Z1198155780 [0,0,0,0,0,0|1,0,2]=3 4 B10R0.4 N=C(N)NCCCCCCN Z1837073394 [0,0,0,0,0,0|4,0,0]=4 5 B10R0.4 NCCCCCCCC(=O)O Z1201625777 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.2 CCCCCCCC(=O)O Z104495238 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.2 CCCNCCCN(C)C Z334950180 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.2 NCCCCCCC(=O)O Z56896351 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.45 CCCCCCCCCO Z104476100 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.45 CCCCCCNCCO Z137800948 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.45 CCCCOCCCCO Z993012624 [1,0,0,0,0,0|3,0,0]=4 12 B9R0.45 COCCOCCCCN Z285178626 [1,0,0,0,0,0|1,1,0]=3 13 B9R0.45 NCCCCCCCCN Z1203577927 [1,0,0,0,0,0|2,0,0]=3 14 B9R0.45 NCCCCCCCCO Z4745386600 [1,0,0,0,0,0|1,0,1]=3 15 B11R0.40 COC(=O)CCCCCCCN Z1416203196 [0,1,0,0,0,0|1,0,1]=3 16 B11R0.148 CCCCCCCCNC(=O)C Z1509141066 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.24 CC1CCCN(C1)CCCN Z271005844 [0,0,0,1,0,0|3,0,0]=4 18 B11R1.53 CC(C)C1OCCCC1CN Z1334512825 [0,0,0,1,0,0|3,0,0]=4 19 B11R1.53 CC(C)N1CCCCC1CN Z326202714 [0,0,0,1,0,0|3,0,0]=4 20 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O Z2915026000 [0,0,0,1,0,0|2,0,1]=4 21 B11R1.57 CC(C)CN1CCC[C@@H]1CN Z3037733801 [0,0,0,1,0,0|3,0,0]=4 22 B11R1.57 CC(C)CN1CCC[C@H]1CN Z1493055955 [0,0,0,1,0,0|3,0,0]=4 23 B11R1.86 CC(C)CC1CCCCC1N Z3406095613 [0,0,0,1,0,0|2,0,0]=3 24 B11R1.86 CC(C)CC1OCCCC1N Z1723549276 [0,0,0,1,0,0|3,0,0]=4 25 B11R1.86 CN(C)CC1CCCCC1O Z56755628 [0,0,0,1,0,0|3,0,0]=4 26 B11R1.86 N[C@@H]1CCCC[C@@H]1CC(=O)O Z2235791115 [0,0,0,1,0,0|2,0,1]=4 27 B11R1.90 CC(C)CCC1CCCC1N Z813018522 [0,0,0,1,0,0|2,0,0]=3 28 B11R1.91 CC(=O)CCC1CCCCC1 Z406376884 [0,0,0,1,0,0|2,0,1]=4 29 B11R1.91 CC(=O)NCC1CCCCN1 Z1456490747 [0,0,0,1,0,0|2,0,1]=4 30 B11R1.91 CC(O)CCC1CCCCC1 Z854048750 [0,0,0,1,0,0|2,0,1]=4 31 B11R1.91 CN(C)CCC1CCCCN1 Z336087874 [0,0,0,1,0,0|2,0,0]=3 32 B11R1.91 O=C(O)CCC1CCCCN1 Z1526503392 [0,0,0,1,0,0|2,0,1]=4 33 B11R1.91 O=C([O-])CCC1CNCCN1 Z1708090070 [0,0,0,1,0,0|3,0,0]=4 34 B11R1.101 NC1CCCCCCCCC1 Z3244659869 [0,0,0,1,0,0|3,0,0]=4 35 B11R1.143 NC(=O)C1CCCCCC1N Z1407673034 [0,0,0,1,0,0|2,0,1]=4 36 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Z2306862306 [0,0,0,1,0,0|2,0,1]=4 37 B11R1.191 CC1(CCCOC1CCN)C Z3371551476 [0,0,0,1,0,0|3,0,0]=4 38 B11R1.568 NC1CCCCCCC1(F)F Z3281869143 [0,0,0,1,0,0|3,0,0]=4 39 B11R1.706 O=C(O)C1CCCCCCN1 Z1998612770 [0,0,0,1,0,0|2,0,1]=4 40 B11R1.742 CC(C)CC1CCCCCN1 Z992736924 [0,0,0,1,0,0|2,0,0]=3 41 B11R1.742 CC(C)CC1CCOCCN1 Z3675381813 [0,0,0,1,0,0|3,0,0]=4 42 B11R1.742 CC(O)CC1CCCCCN1 Z1332990062 [0,0,0,1,0,0|1,0,1]=3 43 B8R0.4 C#CCCCCCCN Z3847490647 [2,0,0,0,0,0|0,0,2]=4 44 B8R0.4 C=CCCCCCCN Z1198263320 [2,0,0,0,0,0|0,0,2]=4 45 B8R0.4 CCCCCCCCO Z104473500 [2,0,0,0,0,0|1,0,0]=3 46 B8R0.4 CCCCCNCCO Z137800944 [2,0,0,0,0,0|2,0,0]=4 47 B8R0.4 CCCCNCCCC Z102766286 [2,0,0,0,0,0|2,0,0]=4 48 B8R0.4 CCCCNCCCO Z102766210 [2,0,0,0,0,0|2,0,0]=4 49 B8R0.4 CCNCCOCCN Z1323539868 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.4 CCOCCOCCN Z2900987685 [2,0,0,0,0,0|2,0,0]=4 51 B8R0.4 COCCNCCCN Z970105370 [2,0,0,0,0,0|1,1,0]=4 52 B8R0.4 NCCCCCCCN Z275166586 [2,0,0,0,0,0|1,0,0]=3 53 B8R0.4 NCCCCCCCO Z3016956569 [2,0,0,0,0,0|0,0,1]=3 54 B8R0.4 NCCCNCCCN Z1203577926 [2,0,0,0,0,0|2,0,0]=4 55 B8R0.7 CCCCCCC(C)N Z104477186 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.7 CN(C)CCCCCN Z3247604067 [2,0,0,0,0,0|2,0,0]=4 57 B10R0.74 CCCCCCCC(C)CN Z415655116 [1,1,0,0,0,0|2,0,0]=4 58 B10R0.74 CNC(=O)CCCCCCN Z1457934838 [1,1,0,0,0,0|1,0,1]=4 59 B10R0.71 C=CCCCCCCCCN Z2083000288 [1,1,0,0,0,0|1,0,1]=4 60 B10R0.71 CCCCCCCCCC=O Z104477054 [1,1,0,0,0,0|2,0,0]=4 61 B10R0.71 CCCCCCCCCCN Z362810900 [1,1,0,0,0,0|1,0,0]=3 62 B10R0.71 CCCCCCCCCNC Z752371288 [1,1,0,0,0,0|1,0,0]=3 63 B10R0.71 CCCCCNCCCOC Z137847940 [1,1,0,0,0,0|1,1,0]=4 64 B10R0.71 CCCCOCCOCCN Z362798458 [1,1,0,0,0,0|2,0,0]=4 65 B12R0.1 CCOC(=O)CCCCCCCN Z1295580418 [0,2,0,0,0,0|1,0,1]=4 66 B10R1.16 CCCCC1CCC(C1)N Z1233210350 [1,0,0,1,0,0|2,0,0]=4 67 B10R1.18 CC(N)CC1CCCCC1 Z3235020113 [1,0,0,1,0,0|2,0,0]=4 68 B10R1.18 CC(O)CC1CCCCN1 Z1203731039 [1,0,0,1,0,0|1,0,1]=4 69 B10R1.18 CN(C)CC1CCCCN1 Z317037110 [1,0,0,1,0,0|2,0,0]=4 70 B10R1.61 CC(=O)C1CCCCC1C Z1276728280 [1,0,0,1,0,0|1,0,1]=4 71 B10R1.61 CN(C)C1CCCCC1N Z285186990 [1,0,0,1,0,0|2,0,0]=4 72 B10R1.66 CC(C)CCC1CCCN1 Z351728968 [1,0,0,1,0,0|2,0,0]=4 73 B10R1.66 CC(N)CCC1CCCC1 Z1255523280 [1,0,0,1,0,0|2,0,0]=4 74 B10R1.78 NC1CCCCCCCC1 Z3491522566 [1,0,0,1,0,0|2,0,0]=4 75 B10R1.78 O=C1CCCCCCCC1 Z1255382938 [1,0,0,1,0,0|1,0,1]=4 76 B10R1.348 CC(=O)C1CCCCCC1 Z1255452291 [1,0,0,1,0,0|1,0,1]=4 77 B10R1.348 CC(C)C1CCCCCN1 Z1623864213 [1,0,0,1,0,0|2,0,0]=4 78 B10R1.348 CC(O)C1CCCCCC1 Z1259295583 [1,0,0,1,0,0|1,0,1]=4 79 B10R1.348 C[C@@H](N)C1CCCCCC1 Z1664966379 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.348 C[C@@H](O)C1CCCCCC1 Z1259297220 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.348 C[C@H](N)C1CCCCCC1 Z1675167214 [1,0,0,1,0,0|2,0,0]=4 82 B10R1.348 C[C@H](O)C1CCCCCC1 Z1259297219 [1,0,0,1,0,0|1,0,1]=4 83 B10R1.4 CC1CCCCN1CCN Z271005826 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.4 CCCC1CCCCC1O Z854050598 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.4 CCSC1CCCCC1N Z1238713176 [1,0,0,1,0,0|2,0,0]=4 86 B10R1.4 CN1CCCCC1CCO Z139565496 [1,0,0,1,0,0|2,0,0]=4 87 B10R1.4 NCC[C@@H]1CCCC[C@@H]1O Z2915288574 [1,0,0,1,0,0|1,0,1]=4 88 B10R1.4 NCC[C@@H]1CCCC[C@H]1O Z3993260243 [1,0,0,1,0,0|1,0,1]=4 89 B10R1.17 CCOCC1CCCCN1 Z2261981710 [1,0,0,1,0,0|2,0,0]=4 90 B10R1.17 COCCC1COCCN1 Z1813175691 [1,0,0,1,0,0|1,1,0]=4 91 B10R1.17 NCCCC1CCCCC1 Z234895793 [1,0,0,1,0,0|1,0,0]=3 92 B10R1.17 NCCCC1CCCCO1 Z1182485873 [1,0,0,1,0,0|1,0,1]=4 93 B10R1.17 NCCCC1CCOCC1 Z979765666 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.17 NCCCN1CCCCC1 Z2895178979 [1,0,0,1,0,0|2,0,0]=4 95 B10R1.17 NCCNC1CCCCC1 Z4766278182 [1,0,0,1,0,0|2,0,0]=4 96 B10R1.17 OCCCC1CCCCC1 Z87002514 [1,0,0,1,0,0|2,0,0]=4 97 B10R1.19 COC1CCCCCC1N Z1357823917 [1,0,0,1,0,0|0,1,0]=3 98 B10R1.19 NC1CCCCCC1CO Z1407007412 [1,0,0,1,0,0|1,0,1]=4 99 B10R1.20 CCC1CCCCC1CN Z2235386892 [1,0,0,1,0,0|1,0,0]=3 100 B10R1.20 CCC1CCCCC1NC Z813020678 [1,0,0,1,0,0|2,0,0]=4 101 B10R1.20 CCN1CCCCC1CN Z326178796 [1,0,0,1,0,0|2,0,0]=4 102 B10R1.20 COC1COCCC1CN Z2235681472 [1,0,0,1,0,0|1,1,0]=4 103 B10R1.21 CCCCCC1CCCN1 Z1463349165 [1,0,0,1,0,0|1,0,0]=3 104 B10R1.21 NCCCCC1CCCC1 Z1203590193 [1,0,0,1,0,0|1,0,0]=3 105 B10R1.21 NCCCCN1CCCC1 Z285162574 [1,0,0,1,0,0|2,0,0]=4 106 B10R1.21 NCCCOC1CCOC1 Z1138838660 [1,0,0,1,0,0|1,1,0]=4 107 B10R1.21 NCCOCC1CCCC1 Z976679450 [1,0,0,1,0,0|2,0,0]=4 108 B10R1.21 NCCOCC1CCOC1 Z825747036 [1,0,0,1,0,0|1,1,0]=4 109 B10R1.85 COCC1CCOCCN1 Z3485770280 [1,0,0,1,0,0|1,1,0]=4 110 B10R1.85 NCCN1CCCCCC1 Z228588982 [1,0,0,1,0,0|2,0,0]=4 111 B10R1.85 OCCC1CCCCCC1 Z1198264962 [1,0,0,1,0,0|2,0,0]=4 112 B10R1.161 CCC1CCCCCCN1 Z5401717016 [1,0,0,1,0,0|1,0,0]=3 113 B10R1.161 CNC1CCCCCCC1 Z102766896 [1,0,0,1,0,0|2,0,0]=4 114 B10R1.161 NCC1CCCCCCC1 Z1259155971 [1,0,0,1,0,0|1,0,0]=3 115 B12R1.27 CNC(=O)CCC1CCCCN1 Z2065464268 [0,1,0,1,0,0|1,0,1]=4 116 B12R1.365 COC(=O)[C@@H]1CCCCC[C@@H]1N Z1509453602 [0,1,0,1,0,0|1,0,1]=4 117 B12R1.57 CC1CCC(C(C1)CN)C(C)C Z1695784322 [0,1,0,1,0,0|2,0,0]=4 118 B12R1.252 CC(C)OCCC1CCCCN1 Z1165351302 [0,1,0,1,0,0|2,0,0]=4 119 B12R1.28 CC1CCCN(C1)CCCCN Z285162616 [0,1,0,1,0,0|2,0,0]=4 120 B12R1.75 CC(C)CN1CCCCC1CN Z326178402 [0,1,0,1,0,0|2,0,0]=4 121 B12R1.130 CC(C)CCOC1CCCC1N Z285179790 [0,1,0,1,0,0|2,0,0]=4 122 B12R1.76 CC(C)(C)C1CCCCC1CN Z1695784042 [0,1,0,1,0,0|2,0,0]=4 123 B12R1.891 CS(=O)(=O)CCC1CCCCN1 Z2188172198 [0,1,0,1,0,0|0,0,2]=4 124 B12R1.1007 OC1CCCCC(CNCC1)O Z4457865006 [0,1,0,1,0,0|1,0,1]=4 125 B12R2.24 CC1CCC2NCCCC2C1 Z317025262 [0,0,0,2,0,0|2,0,0]=4 126 B12R2.24 CC1CNC2CCCCC2C1 Z3481621007 [0,0,0,2,0,0|2,0,0]=4 127 B12R2.1081 CC1CCCC2C1NCCC2 Z317054150 [0,0,0,2,0,0|2,0,0]=4 128 B12R2.2048 NCC1CCCCC1C2CC2 Z2263156987 [0,0,0,2,0,0|2,0,0]=4 129 B12R2.1154 CN1CC2CCCC(C1)C2N Z5210570996 [0,0,0,2,0,0|2,0,0]=4