0 B11R2.533 C=C1CC[C@H]2C[C@@H]1C2(C)C Z1201618602 [0,0,0,0,0,0|0,0,0]=0 1 B11R2.533 CC1([C@H]2CC[C@H]([C@@H]1C2)N)C Z4526189782 [0,0,0,0,0,0|1,0,1]=2 2 B11R2.533 CC1=CC[C@@H]2C[C@H]1C2(C)C Z1255386675 [0,0,0,0,0,0|0,0,2]=2 3 B11R2.533 CC1=CC[C@H]2C[C@@H]1C2(C)C Z1255427385 [0,0,0,0,0,0|0,0,2]=2 4 B12R2.766 CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C Z1123686398 [0,1,0,0,0,0|0,0,3]=4 5 B12R2.1957 CC1([C@H]2CC=C([C@@H]1C2)C=O)C Z1255423695 [0,1,0,0,0,0|0,0,1]=2 6 B12R2.1957 CC1([C@H]2CC[C@H]([C@@H]1C2)C=O)C Z1511748564 [0,1,0,0,0,0|0,0,1]=2 7 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,0,1,0,0,0|2,0,1]=4 8 B10R1.13 CC(C)C1CCC(=O)CC1 Z959274754 [0,0,1,0,0,0|1,0,0]=2 9 B10R1.13 CC(C)C1CCC(CC1)N Z995154766 [0,0,1,0,0,0|1,0,1]=3 10 B10R1.13 CC(C)C1CCC(CC1)O Z995158660 [0,0,1,0,0,0|1,0,1]=3 11 B10R1.13 CC(C)C1CNC(=O)CN1 Z1198172694 [0,0,1,0,0,0|3,0,0]=4 12 B10R1.13 CC(C)[C@H]1CC[C@H](CC1)N Z3300621003 [0,0,1,0,0,0|1,0,1]=3 13 B10R1.13 CC(N)C1CCC(CC1)F Z2526705319 [0,0,1,0,0,0|2,0,1]=4 14 B10R1.13 CC(N)C1CCN(CC1)C Z413860142 [0,0,1,0,0,0|2,0,1]=4 15 B10R1.13 CC1CCC(CN1)C(C)C Z1230088800 [0,0,1,0,0,0|1,0,2]=4 16 B10R1.13 CN(C)[C@H]1CC[C@@H](CC1)N Z3244810239 [0,0,1,0,0,0|2,0,1]=4 17 B10R1.13 CN(C)[C@H]1CC[C@H](CC1)N Z2310699352 [0,0,1,0,0,0|2,0,1]=4 18 B10R1.61 CC(C)C1CCCCC1=O Z993018022 [0,0,1,0,0,0|1,0,0]=2 19 B10R1.61 CC(C)C1CCCCC1O Z992949104 [0,0,1,0,0,0|1,0,1]=3 20 B10R1.61 CC(C)C1CCCNC1=O Z1203747730 [0,0,1,0,0,0|2,0,0]=3 21 B10R1.61 CC(C)C1CNCCN1C Z1250203494 [0,0,1,0,0,0|2,0,1]=4 22 B10R1.61 CC(C)C1NCCNC1=O Z978935230 [0,0,1,0,0,0|3,0,0]=4 23 B10R1.61 CC(C)N1CCNCC1=O Z1625822286 [0,0,1,0,0,0|3,0,0]=4 24 B10R1.61 CN(C)C1CCCCC1=O Z447865324 [0,0,1,0,0,0|2,0,0]=3 25 B10R1.61 CN(C)C1CCCCC1N Z285186990 [0,0,1,0,0,0|2,0,1]=4 26 B10R1.83 CC1([C@H](C[C@H]1C(=O)O)N)C Z2307368764 [0,0,1,0,0,0|3,0,0]=4 27 B10R1.83 CN(C)C1CC(C1(C)C)N Z2408581568 [0,0,1,0,0,0|2,0,1]=4 28 B10R1.120 CC1(CC(=O)NCC1O)C Z3072496094 [0,0,1,0,0,0|3,0,0]=4 29 B10R1.120 CC1(CC(CCC1O)N)C Z3444439845 [0,0,1,0,0,0|2,0,1]=4 30 B10R1.120 CC1(NC(=O)CCC1N)C Z2009982538 [0,0,1,0,0,0|3,0,0]=4 31 B10R1.455 COC1CC(C1(C)C)CN Z3398793859 [0,0,1,0,0,0|2,0,1]=4 32 B9R1.1 C=C1CCC(CC1)CN Z2889982961 [1,0,1,0,0,0|1,0,0]=3 33 B9R1.1 CCC1CCC(=O)CC1 Z104475572 [1,0,1,0,0,0|1,0,0]=3 34 B9R1.1 CC[C@H]1CC[C@@H](CC1)N Z2205958759 [1,0,1,0,0,0|1,0,1]=4 35 B9R1.6 CC(C)C1CCCCN1 Z1269638432 [1,0,1,0,0,0|1,0,0]=3 36 B9R1.6 CC(C)C1CCCNC1 Z1201627016 [1,0,1,0,0,0|1,0,1]=4 37 B9R1.6 CC(C)C1CCNCC1 Z1262398542 [1,0,1,0,0,0|1,0,0]=3 38 B9R1.6 CC(C)C1CNCCN1 Z1198172518 [1,0,1,0,0,0|2,0,0]=4 39 B9R1.6 CC(C)C1CNCCO1 Z1203831893 [1,0,1,0,0,0|2,0,0]=4 40 B9R1.6 CC(C)C1CNCCS1 Z1270133000 [1,0,1,0,0,0|2,0,0]=4 41 B9R1.6 CC(C)N1CCNCC1 Z228588846 [1,0,1,0,0,0|2,0,0]=4 42 B9R1.6 CC(C)[C@@H]1COCCN1 Z3185478350 [1,0,1,0,0,0|2,0,0]=4 43 B9R1.6 CC(N)C1CCCCC1 Z446020926 [1,0,1,0,0,0|1,0,1]=4 44 B9R1.6 CC(N)C1CCOCC1 Z1178490395 [1,0,1,0,0,0|2,0,0]=4 45 B9R1.6 CC(O)C1CCCCC1 Z445987098 [1,0,1,0,0,0|1,0,1]=4 46 B9R1.6 CC(O)C1CCCCN1 Z995042172 [1,0,1,0,0,0|2,0,0]=4 47 B9R1.6 CC(O)C1CCNCC1 Z995042164 [1,0,1,0,0,0|2,0,0]=4 48 B9R1.6 CC(O)C1CCOCC1 Z1171215247 [1,0,1,0,0,0|2,0,0]=4 49 B9R1.6 CN(C)C1CCNCC1 Z317268642 [1,0,1,0,0,0|2,0,0]=4 50 B9R1.6 C[C@@H](O)C1CCCCC1 Z959151676 [1,0,1,0,0,0|1,0,1]=4 51 B9R1.15 CCC1CCCCC1N Z368844574 [1,0,1,0,0,0|1,0,1]=4 52 B9R1.15 CCC1CCCCC1O Z104476198 [1,0,1,0,0,0|1,0,1]=4 53 B9R1.15 CCC1CCCNC1=O Z1203731521 [1,0,1,0,0,0|2,0,0]=4 54 B9R1.15 CSC1CCCCC1=O Z732208578 [1,0,1,0,0,0|2,0,0]=4 55 B9R1.107 CC1(C(CC1CN)O)C Z3248142559 [1,0,1,0,0,0|2,0,0]=4 56 B9R1.107 COC1CC(C1(C)C)N Z1273094761 [1,0,1,0,0,0|2,0,0]=4 57 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [1,0,1,0,0,0|2,0,0]=4 58 B9R1.40 CC1(CCCCC1N)C Z1203579141 [1,0,1,0,0,0|1,0,1]=4 59 B9R1.40 CC1(CCCCC1O)C Z1350656299 [1,0,1,0,0,0|1,0,1]=4 60 B9R1.40 CC1(CNCCC1O)C Z1198307024 [1,0,1,0,0,0|2,0,0]=4 61 B9R1.40 CC1CCCCC1(C)O Z449370784 [1,0,1,0,0,0|1,0,1]=4 62 B9R1.40 CC1CCNCC1(C)C Z1665098520 [1,0,1,0,0,0|1,0,0]=3 63 B9R1.40 CC1NCCOC1(C)C Z1203830188 [1,0,1,0,0,0|2,0,0]=4 64 B9R1.40 CC1OCCNC1(C)C Z4990294309 [1,0,1,0,0,0|2,0,0]=4 65 B9R1.40 CN1CCNCC1(C)C Z1983080143 [1,0,1,0,0,0|2,0,0]=4 66 B9R1.40 C[C@@H]1CCNC[C@]1(C)O Z2309893888 [1,0,1,0,0,0|2,0,0]=4 67 B9R1.66 CC1(CCCC(C1)O)C Z1198148603 [1,0,1,0,0,0|1,0,1]=4 68 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [1,0,1,0,0,0|2,0,0]=4 69 B9R1.69 CC1CC(=O)CCN1C Z825754016 [1,0,1,0,0,0|2,0,0]=4 70 B9R1.69 CC1CCC(CC1C)O Z1201617040 [1,0,1,0,0,0|1,0,1]=4 71 B9R1.3 CC1CCCC(=O)C1C Z1198319146 [1,0,1,0,0,0|1,0,0]=3 72 B9R1.3 CC1CCCC(C1C)N Z104478930 [1,0,1,0,0,0|1,0,1]=4 73 B9R1.3 C[C@@H]1NCCC(=O)[C@H]1C Z4513729412 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.3 CC(C)C1CC=C(CC1)C=O Z1511742698 [0,1,1,0,0,0|0,0,1]=3 75 B11R1.3 CC(C)C1CCC(CC1)C#N Z995157958 [0,1,1,0,0,0|0,0,2]=4 76 B11R1.3 CC(C)C1CCC(CC1)C=O Z1268606422 [0,1,1,0,0,0|0,0,1]=3 77 B11R1.3 CC(C)C1CCC(CC1)CN Z995157962 [0,1,1,0,0,0|0,0,2]=4 78 B11R1.3 CC(C)C1CCC(CC1)CO Z1255438893 [0,1,1,0,0,0|0,0,2]=4 79 B11R1.3 CC(C)N1CCC(=NO)CC1 Z49568518 [0,1,1,0,0,0|2,0,0]=4 80 B11R1.19 CC(C)(C)C1CCC(=O)CC1 Z104476590 [0,1,1,0,0,0|1,0,0]=3 81 B11R1.19 CC(C)(C)C1CCC(=O)NC1 Z1509179817 [0,1,1,0,0,0|2,0,0]=4 82 B11R1.19 CC(C)(C)C1CCC(CC1)O Z104477300 [0,1,1,0,0,0|1,0,1]=4 83 B11R1.19 CC(C)(C)N1CCC(=O)CC1 Z295881938 [0,1,1,0,0,0|2,0,0]=4 84 B11R1.19 CC(C)(O)C1CCC(CC1)O Z1897566822 [0,1,1,0,0,0|1,0,1]=4 85 B11R1.19 CC(C)(O)[C@H]1CC[C@H](CC1)N Z4307100631 [0,1,1,0,0,0|1,0,1]=4 86 B11R1.19 CC1=CCC(CC1)C(C)(C)O Z1255427148 [0,1,1,0,0,0|0,0,2]=4 87 B11R1.21 C=C(C)[C@H]1CCC(=C)[C@@H](C1)O Z1896549193 [0,1,1,0,0,0|0,0,2]=4 88 B11R1.21 CC(C)C1CCC(C(C1)O)C Z1509104319 [0,1,1,0,0,0|0,0,2]=4 89 B11R1.166 CC(C)C1CCC(=O)CC1C Z1509046522 [0,1,1,0,0,0|1,0,0]=3 90 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1O)C Z1255438640 [0,1,1,0,0,0|0,0,2]=4 91 B11R1.166 CC(C)[C@H]1CC[C@@H](C[C@@H]1O)C Z1198149783 [0,1,1,0,0,0|0,0,2]=4 92 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@@H]1O)C Z1201618593 [0,1,1,0,0,0|0,0,2]=4 93 B11R1.166 CC1CCC(C(C1)N)C(C)C Z239626690 [0,1,1,0,0,0|0,0,2]=4 94 B11R1.87 CC(C)(C)C1CCCCC1=O Z104480142 [0,1,1,0,0,0|1,0,0]=3 95 B11R1.87 CC(C)(C)C1CCCCC1N Z239626678 [0,1,1,0,0,0|1,0,1]=4 96 B11R1.222 CC(CN)N1CCCCC1=O Z2517097576 [0,1,1,0,0,0|2,0,0]=4 97 B11R1.424 CC1=C(C(CCC1)(C)C)CO Z1198234378 [0,1,1,0,0,0|0,0,2]=4 98 B11R1.881 COC(=O)C1(CCC1(C)C)N Z5861986038 [0,1,1,0,0,0|2,0,0]=4 99 B13R2.12966 CC1([C@H]2C[C@@H]1[C@]([C@@H](C2)O)(C)O)C Z1255402889 [0,2,0,0,0,0|0,0,2]=4 100 B9R0.33 CCCC(C(=O)O)C(C)C Z756391686 [0,0,2,0,0,0|2,0,0]=4 101 B11R2.34 O=C1CCN(CC1)C2CC2 Z223607160 [0,0,1,1,0,0|2,0,0]=4 102 B11R2.746 CC(C)[C@@]12CC[C@@H]([C@@H]1C2)N Z4020196461 [0,0,1,1,0,0|1,0,1]=4 103 B11R2.1 CC1CNC2C1CCCC2 Z1202249435 [0,0,1,1,0,0|1,0,1]=4 104 B11R2.55 O=C1CCCCC1C2CC2 Z1233201574 [0,0,1,1,0,0|1,0,0]=3 105 B13R3.8865 CC1(C2CCC3(C1C2)CO3)C Z1198147162 [0,1,0,1,0,0|0,0,2]=4 106 B9R1.35 CC(C)C1CNC(=O)C1 Z1089964728 [0,0,1,0,1,0|2,0,0]=4 107 B9R1.35 CC(C)N1CCC(=O)C1 Z415646352 [0,0,1,0,1,0|2,0,0]=4 108 B9R1.41 CC(C)C1CCCC1=O Z993018308 [0,0,1,0,1,0|1,0,0]=3 109 B9R1.41 CC(C)C1CCCC1N Z3278384105 [0,0,1,0,1,0|1,0,1]=4 110 B9R1.41 CC(C)C1CCNC1=O Z1203830076 [0,0,1,0,1,0|2,0,0]=4 111 B9R1.38 CC1CC(=O)NC1(C)C Z1258978106 [0,0,1,0,1,0|2,0,0]=4 112 B9R1.185 CC1(CC1C(=O)CCl)C Z1889939223 [0,0,1,0,1,0|2,0,0]=4 113 B9R1.185 CCC(=O)C1CC1(C)C Z1198323211 [0,0,1,0,1,0|1,0,0]=3 114 B9R2.95 CC1(C2C1CNC2)C Z1262398535 [1,0,0,0,1,0|1,0,1]=4 115 B11R1.20 CC(C)OC1CCC(CC1)N Z2650510339 [0,0,1,0,0,1|1,0,1]=4 116 B11R1.20 CN(C)CC1CCC(=O)CC1 Z5062579395 [0,0,1,0,0,1|2,0,0]=4 117 B11R1.565 CC(C)C1CCCC(CC1)N Z1258694827 [0,0,1,0,0,1|1,0,1]=4 118 B11R1.565 CC(C)C1CCNC(=O)CC1 Z1197664821 [0,0,1,0,0,1|1,0,0]=3 119 B11R1.565 CC1CCNC(CC1)C(C)C Z1217215083 [0,0,1,0,0,1|0,0,2]=4 120 B11R1.86 CC(C)CC1CCCCC1N Z3406095613 [0,0,1,0,0,1|1,0,1]=4 121 B11R1.86 CN(C)CC1CCCCC1=O Z56770961 [0,0,1,0,0,1|2,0,0]=4 122 B11R1.213 CC1(OCC(O1)CCC=O)C Z1511747835 [0,0,1,0,0,1|2,0,0]=4 123 B11R1.227 COC(=O)C1CCNC1(C)C Z3484293844 [0,0,1,0,0,1|2,0,0]=4 124 B11R1.227 COC(=O)C1CNCC1(C)C Z1341383037 [0,0,1,0,0,1|2,0,0]=4