0 B10R1.13 C=C(C)[C@@H]1CC=C(CC1)C Z1255430958 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.13 C=C(C)[C@H]1CC=C(CC1)C Z1255486311 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.13 CC(=O)C1CCN(CC1)C Z413823920 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.13 CC(=O)N1CC=C(CC1)Br Z1999520568 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.13 CC(=O)N1CCC(=O)CC1 Z33618658 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)N Z1262662148 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.13 CC(C)C1CCC(=O)CC1 Z959274754 [0,0,0,0,0,0|1,0,3]=4 8 B10R1.13 CC(N)C1CCN(CC1)C Z413860142 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.13 CC1CCC(CC1)C(=N)N Z1431905462 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.13 CC1CCC(CN1)C(=O)N Z300072132 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.13 CC1CCC(CN1)C(C)C Z1230088800 [0,0,0,0,0,0|1,0,3]=4 14 B10R1.13 CN1CCC(CC1)C(=N)N Z5030116869 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.13 CN1CCC(CC1)C(=O)O Z744843480 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)N Z3302651128 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.13 NC(=O)C1CCC(=O)NC1 Z458890528 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.13 NC1=NCC(CC1)C(=O)O Z2378836818 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.1 CC1CCC(CC1)C=O Z1250055138 [1,0,0,0,0,0|1,0,2]=4 24 B9R1.1 CCC1CCC(=O)CC1 Z104475572 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.1 CC[C@@H]1CC[C@H](NC1)C Z3337244239 [1,0,0,0,0,0|1,0,2]=4 26 B9R1.1 CN1CCC(CC1)C=O Z372839344 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.1 CNC1CCN(CC1)C Z102766804 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.1 C[C@H]1CC[C@@H](CC1)C=O Z1511765971 [1,0,0,0,0,0|1,0,2]=4 29 B9R1.1 O=CC1CCC(=O)CC1 Z1198165293 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.6 NC(=O)C1CC=CCC1 Z145119476 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.6 O=C([O-])C1CCC=CO1 Z1592042421 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.3 C=C(C)C1CC=C(CC1)CO Z1198147170 [0,1,0,0,0,0|0,0,0]=1 38 B11R1.3 C=C(C)[C@@H]1CC=C(CC1)C=O Z1255402618 [0,1,0,0,0,0|0,0,1]=2 39 B11R1.3 C=C(C)[C@@H]1CC=C(CC1)CO Z1255486314 [0,1,0,0,0,0|0,0,0]=1 40 B11R1.3 CC(C)C1CC=C(CC1)C=O Z1511742698 [0,1,0,0,0,0|0,0,3]=4 41 B11R1.3 CCN1CCC(CC1)C(=O)C Z413823932 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.19 CC1=CCC(CC1)C(C)(C)O Z1255427148 [0,1,0,0,0,0|0,0,2]=3 43 B11R1.21 C=C(C)[C@@H]1CC=C(C(=O)C1)C Z1201618601 [0,1,0,0,0,0|0,0,1]=2 44 B11R1.21 C=C(C)[C@H]1CC=C(C(=O)C1)C Z1255356261 [0,1,0,0,0,0|0,0,1]=2 45 B11R1.21 C=C(C)[C@H]1CCC(=C)[C@@H](C1)O Z1896549193 [0,1,0,0,0,0|0,0,2]=3 46 B11R1.21 CC1=C(CC(CC1)C(=O)O)C Z1198156483 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.22 COC(=O)C1CCC(=O)NC1 Z795248068 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.22 COC(=O)C1CCC(NC1)C Z3211706034 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.22 COC(=O)C1CCN(CC1)C Z103761506 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 Z1251353210 [0,1,0,0,0,0|0,0,3]=4 51 B11R1.220 CC1=CCC(CC1)(C)C(=O)O Z1262511092 [0,1,0,0,0,0|2,0,0]=3 52 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,0,1,0,0,0|3,0,0]=4 53 B11R2.533 CC1=CC[C@@H]2C[C@H]1C2(C)C Z1255386675 [0,0,0,1,0,0|0,0,2]=3 54 B11R2.533 CC1=CC[C@H]2C[C@@H]1C2(C)C Z1255427385 [0,0,0,1,0,0|0,0,2]=3 55 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,0,0,0,1,0|2,0,1]=4 56 B9R1.35 CN1CCC(C1)C(=N)N Z2754489991 [0,0,0,0,1,0|3,0,0]=4 57 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [0,0,0,0,1,0|3,0,0]=4 58 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,0,0,0,1,0|3,0,0]=4 59 B11R1.20 CC(=O)NC1CCC(=O)CC1 Z235341209 [0,0,0,0,0,1|2,0,1]=4 60 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,0,1,0,0,0|2,0,0]=4 61 B8R0.8 CCCCC(C)C(=O)C Z727719632 [1,0,1,0,0,0|1,0,1]=4 62 B8R0.9 CCC(C)CCC(=O)C Z955111260 [1,0,1,0,0,0|1,0,1]=4 63 B8R1.2 C=CC1CCCNC1 Z2740400893 [2,0,0,0,0,0|1,0,1]=4 64 B8R1.2 C=CC1CCNCC1 Z1266933822 [2,0,0,0,0,0|1,0,1]=4 65 B8R1.2 COC1CCC=CO1 Z995169098 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.2 O=CC1CC=CCC1 Z57936862 [2,0,0,0,0,0|1,0,0]=3 67 B8R1.2 O=CC1CCC=CO1 Z600389890 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 OCC1CC=CCC1 Z104476102 [2,0,0,0,0,0|1,0,1]=4 69 B8R1.3 CC1=CCC(CC1)N Z3857655203 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.3 CC1CCC(=O)CC1 Z57073963 [2,0,0,0,0,0|1,0,1]=4 71 B8R1.3 CC1CCC(=O)NC1 Z969194082 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.3 CN1CC=C(CC1)Br Z4896525382 [2,0,0,0,0,0|2,0,0]=4 73 B10R0.3 C/C(=C\CO)/CCCC(C)C Z2583205813 [0,1,1,0,0,0|0,0,2]=4 74 B10R0.3 CC(=CCC/C(=C/CO)/C)C Z104473544 [0,1,1,0,0,0|0,0,2]=4 75 B10R1.1 CC1=CCN(CC1)CCN Z1947443968 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.3 CCC1CC=C(CC1)C#N Z409433726 [1,1,0,0,0,0|0,0,2]=4 77 B10R1.25 CC1=CC(C(CC1)C=O)C Z1198151600 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.15 C=C(CN)C1CCOCC1 Z3213444708 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.15 CCC(=O)N1CC=CCC1 Z1620131716 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.15 CNC(=O)C1CC=CCC1 Z183854878 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.15 COC(=O)C1CC=CCC1 Z18245232 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.15 COC(=O)C1CC=CCN1 Z3488197781 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O Z2306832325 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.113 N[C@H]1C=CC[C@@H](C1)C(=O)O Z2785908692 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.363 CC1(CC=CCC1)C(=O)O Z1198158411 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.23 CC1=CC[C@H](C[C@@H]1O)C(C)(C)O Z1278926502 [0,2,0,0,0,0|0,0,2]=4 87 B12R1.367 C=CC(=O)N1CCC(=C(C1)Br)C Z3024763592 [0,2,0,0,0,0|2,0,0]=4 88 B12R2.3180 C=C(C)C1CCC2(OC2C1)C Z1198147214 [0,0,0,1,0,1|0,0,2]=4 89 B12R2.47 CC1(C2C1CC(=CC2)CO)C Z1898334389 [0,1,0,1,0,0|0,0,2]=4 90 B8R1.1 CC1CCC(C1)C=O Z1268606446 [1,0,0,0,1,0|1,0,1]=4 91 B8R1.1 CNC1CCN(C1)C Z2867580880 [1,0,0,0,1,0|2,0,0]=4 92 B8R1.7 CC(=O)C1CCCC1 Z513735352 [1,0,0,0,1,0|1,0,1]=4 93 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [1,0,0,0,1,0|2,0,0]=4 94 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [1,0,0,0,1,0|2,0,0]=4 95 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [1,0,0,0,1,0|2,0,0]=4 96 B10R1.18 CC(=O)CN1CC=CCC1 Z2835066994 [1,0,0,0,0,1|2,0,0]=4