0 B11R2.204 C=C1C2CCC(C2)C1(C)C Z104478010 [0,0,0,0,0,0|0,0,0]=0 1 B11R2.204 CC1(C2CCC(C2)C1N)C Z3014734826 [0,0,0,0,0,0|1,0,1]=2 2 B10R2.28 C[C@]1(C[C@@H]2CN[C@H]1C2)O Z4882042053 [1,0,0,0,0,0|2,0,1]=4 3 B10R2.28 C[C@]1(C[C@H]2C[C@@H]1CN2)O Z4690434296 [1,0,0,0,0,0|2,0,1]=4 4 B12R2.509 CC1(C(=O)[C@@]2(CC[C@H]1C2)C)C Z1255402987 [0,1,0,0,0,0|1,0,0]=2 5 B12R2.509 CC1(C(=O)[C@]2(CC[C@@H]1C2)C)C Z1255427411 [0,1,0,0,0,0|1,0,0]=2 6 B12R2.509 CC12CCC(C1)C(C2=O)(C)C Z804948554 [0,1,0,0,0,0|1,0,0]=2 7 B12R2.509 CC12CCC(C1)C(C2N)(C)C Z235536768 [0,1,0,0,0,0|1,0,1]=3 8 B10R1.6 C=CS(=O)(=O)C1CCCC1 Z1094759230 [0,0,1,0,0,0|3,0,0]=4 9 B10R1.6 CC(C)(C#N)N1CCCC1 Z168893480 [0,0,1,0,0,0|2,0,1]=4 10 B10R1.6 CC(C)(C=O)C1CCCC1 Z1813208695 [0,0,1,0,0,0|1,0,0]=2 11 B10R1.6 CC(C)(C=O)C1CCCO1 Z2724068575 [0,0,1,0,0,0|2,0,0]=3 12 B10R1.6 CC(C)(C=O)C1CCOC1 Z2301244546 [0,0,1,0,0,0|2,0,0]=3 13 B10R1.6 CC(C)(C=O)N1CCCC1 Z1258980470 [0,0,1,0,0,0|2,0,0]=3 14 B10R1.6 CC(C)(CN)C1CCCC1 Z1434265756 [0,0,1,0,0,0|1,0,1]=3 15 B10R1.6 CC(C)(CN)C1CCCO1 Z2943543564 [0,0,1,0,0,0|2,0,1]=4 16 B10R1.6 CC(C)(CN)N1CCCC1 Z3074473275 [0,0,1,0,0,0|2,0,1]=4 17 B10R1.6 CC(C)(CO)C1CCCC1 Z1517090454 [0,0,1,0,0,0|1,0,1]=3 18 B10R1.6 CC(O)(CN)C1CCCC1 Z993956456 [0,0,1,0,0,0|2,0,1]=4 19 B10R1.6 CCC(C)(C)C1CCCN1 Z995037218 [0,0,1,0,0,0|1,0,2]=4 20 B10R1.23 CC(C)C(=O)C1CCCN1 Z3377950289 [0,0,1,0,0,0|2,0,0]=3 21 B10R1.23 CC(Cl)C(=O)N1CCCC1 Z56917970 [0,0,1,0,0,0|3,0,0]=4 22 B10R1.23 CN(C)C(=O)C1CCCN1 Z168876638 [0,0,1,0,0,0|3,0,0]=4 23 B10R1.23 CN(C)C(=O)C1CCNC1 Z1562155929 [0,0,1,0,0,0|3,0,0]=4 24 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 Z1562155902 [0,0,1,0,0,0|3,0,0]=4 25 B10R1.31 CC(C)N1CCC(C1)CN Z317026946 [0,0,1,0,0,0|2,0,1]=4 26 B10R1.31 CNC1CCN(C1)C(C)C Z415646788 [0,0,1,0,0,0|2,0,1]=4 27 B10R1.301 CC1(CCCC(C1=O)Cl)C Z1262482353 [0,0,1,0,0,0|2,0,0]=3 28 B10R1.301 CN1CCNC(C1=O)(C)C Z1398461606 [0,0,1,0,0,0|3,0,0]=4 29 B9R1.11 CC(C=O)C1CCCC1 Z1268606342 [1,0,1,0,0,0|1,0,0]=3 30 B9R1.11 CCC(=O)C1CCCC1 Z513735272 [1,0,1,0,0,0|1,0,0]=3 31 B9R1.11 CCC(=O)C1CCOC1 Z1138843357 [1,0,1,0,0,0|2,0,0]=4 32 B9R1.11 CCC(N)C1CCCC1 Z513797602 [1,0,1,0,0,0|1,0,1]=4 33 B9R1.11 COC(=O)C1CCCC1 Z18376105 [1,0,1,0,0,0|2,0,0]=4 34 B9R1.11 O=C(CCl)C1CCCC1 Z1198266546 [1,0,1,0,0,0|2,0,0]=4 35 B9R1.19 CC(C)(C)C1CCCN1 Z1269638483 [1,0,1,0,0,0|1,0,1]=4 36 B9R1.19 CC(C)(C)C1CCNC1 Z1655103646 [1,0,1,0,0,0|1,0,1]=4 37 B9R1.19 CC(C)(N)C1CCCO1 Z3045660680 [1,0,1,0,0,0|2,0,0]=4 38 B9R1.19 CC(C)(N)C1CCOC1 Z5899487185 [1,0,1,0,0,0|2,0,0]=4 39 B9R1.19 CC(C)(O)C1CCCN1 Z1192038961 [1,0,1,0,0,0|2,0,0]=4 40 B9R1.19 CC(C)(O)C1CCNC1 Z3244488960 [1,0,1,0,0,0|2,0,0]=4 41 B9R1.13 CC(C)CC1CCCN1 Z2301511576 [1,0,1,0,0,0|1,0,1]=4 42 B9R1.13 CC(C)CC1CCNC1 Z979422218 [1,0,1,0,0,0|1,0,1]=4 43 B9R1.13 CC(C)NC1CCCC1 Z316170330 [1,0,1,0,0,0|1,0,0]=3 44 B9R1.13 CC(C)NC1CCOC1 Z4766862771 [1,0,1,0,0,0|2,0,0]=4 45 B9R1.35 CN(C)[C@@H]1CC[C@@H](C1)N Z2568756766 [1,0,1,0,0,0|2,0,0]=4 46 B9R1.3 CC1CCCC(=O)C1C Z1198319146 [1,0,1,0,0,0|1,0,0]=3 47 B9R1.3 CC1CCCC(C1C)N Z104478930 [1,0,1,0,0,0|1,0,1]=4 48 B9R1.3 CC1CCCC(C1N)C Z359419654 [1,0,1,0,0,0|1,0,1]=4 49 B9R1.3 CC1CCCC(C1O)C Z335244846 [1,0,1,0,0,0|1,0,1]=4 50 B9R1.3 C[C@@H]1NCCC(=O)[C@H]1C Z4513729412 [1,0,1,0,0,0|2,0,0]=4 51 B9R1.40 CC1(CCCCC1=O)C Z1238550479 [1,0,1,0,0,0|1,0,0]=3 52 B9R1.40 CC1(CCCCC1N)C Z1203579141 [1,0,1,0,0,0|1,0,1]=4 53 B9R1.40 CC1(CCCCC1O)C Z1350656299 [1,0,1,0,0,0|1,0,1]=4 54 B9R1.40 CC1(NCCCC1O)C Z2733321182 [1,0,1,0,0,0|2,0,0]=4 55 B9R1.40 CC1CCCCC1(C)O Z449370784 [1,0,1,0,0,0|1,0,1]=4 56 B9R1.40 CC1CCNCC1(C)C Z1665098520 [1,0,1,0,0,0|1,0,1]=4 57 B9R1.40 CC1NCCOC1(C)C Z1203830188 [1,0,1,0,0,0|2,0,0]=4 58 B9R1.40 CC1OCCNC1(C)C Z4990294309 [1,0,1,0,0,0|2,0,0]=4 59 B9R1.133 CC1(CCC(C1)CN)C Z1262683542 [1,0,1,0,0,0|1,0,1]=4 60 B9R1.133 CC1(CCC(N1)CO)C Z4358475031 [1,0,1,0,0,0|2,0,0]=4 61 B9R1.133 CNC1CCC(C1)(C)C Z1946005329 [1,0,1,0,0,0|1,0,1]=4 62 B9R1.138 CC1(CCC(C1=O)Cl)C Z1350877025 [1,0,1,0,0,0|2,0,0]=4 63 B9R1.24 CC1(CCCC1CN)C Z1203586019 [1,0,1,0,0,0|1,0,1]=4 64 B9R1.24 CC1(NCCC1CO)C Z2732445891 [1,0,1,0,0,0|2,0,0]=4 65 B9R1.24 CC1(OCCC1CN)C Z2575036803 [1,0,1,0,0,0|2,0,0]=4 66 B9R1.24 CC1(SCCC1CN)C Z3070893276 [1,0,1,0,0,0|2,0,0]=4 67 B9R1.24 COC1CCNC1(C)C Z2867580390 [1,0,1,0,0,0|2,0,0]=4 68 B9R1.66 CC1(CCCC(C1)O)C Z1198148603 [1,0,1,0,0,0|1,0,1]=4 69 B9R1.66 CC1CCCC(C1)(C)O Z449370622 [1,0,1,0,0,0|1,0,1]=4 70 B9R1.66 CC1CCCC(N1)(C)C Z2939852869 [1,0,1,0,0,0|1,0,0]=3 71 B9R1.66 CC1CNCC(O1)(C)C Z432419530 [1,0,1,0,0,0|2,0,0]=4 72 B9R1.66 CC1COCC(N1)(C)C Z3148797991 [1,0,1,0,0,0|2,0,0]=4 73 B9R2.39 NC1CC2CCC1C2 Z1250132652 [2,0,0,0,0,0|1,0,1]=4 74 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [2,0,0,0,0,0|2,0,0]=4 75 B9R2.39 OC1CC2CCC1C2 Z104479470 [2,0,0,0,0,0|1,0,1]=4 76 B11R1.173 CC(C)(C(=O)O)C1CCCN1 Z3478956181 [0,1,1,0,0,0|2,0,0]=4 77 B11R1.173 CC(C)(C(=O)O)N1CCCC1 Z1966570493 [0,1,1,0,0,0|2,0,0]=4 78 B11R1.173 CC(N)(C(=O)O)C1CCCC1 Z4500621822 [0,1,1,0,0,0|2,0,0]=4 79 B11R1.89 CN(C)C(=O)[C@@H]1CCC[C@@H]1N Z5290758602 [0,1,1,0,0,0|2,0,0]=4 80 B11R1.314 CC(C)C(=O)N1CCC(C1)N Z1416282976 [0,1,1,0,0,0|2,0,0]=4 81 B11R1.357 CC(C)(C)C(=O)N1CCCC1 Z54127989 [0,1,1,0,0,0|2,0,0]=4 82 B11R1.357 CC(C)(N)C(=O)N1CCCC1 Z1449745385 [0,1,1,0,0,0|2,0,0]=4 83 B11R1.175 CN(C)[C@@H]1CC[C@@H](C1)C(=O)O Z4129693343 [0,1,1,0,0,0|2,0,0]=4 84 B11R1.424 CC1=C(C(CCC1)(C)C)C=O Z1255386953 [0,1,1,0,0,0|0,0,1]=3 85 B11R1.424 CC1=C(C(CCC1)(C)C)CO Z1198234378 [0,1,1,0,0,0|0,0,2]=4 86 B11R1.945 CC1(CCCC(C1=O)C#N)C Z1350908812 [0,1,1,0,0,0|1,0,1]=4 87 B11R1.1322 CC1(CCCC(N1[O])(C)C)C Z1255386734 [0,1,1,0,0,0|2,0,0]=4 88 B11R2.28 NC1C2CCC(C2)C1CO Z255150050 [1,1,0,0,0,0|1,0,1]=4 89 B11R2.28 N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1CO Z4335900757 [1,1,0,0,0,0|1,0,1]=4 90 B11R2.228 CC1(CC2CCC1O2)CN Z2353510011 [1,1,0,0,0,0|1,0,1]=4 91 B11R2.228 NC1(CC2CCC1C2)CO Z4720563614 [1,1,0,0,0,0|1,0,1]=4 92 B13R2.2794 CC12CCC(C1)C(C2C#N)(C)C Z1389061595 [0,2,0,0,0,0|0,0,2]=4 93 B13R2.13651 CC1(C2CCC(C2)C1C(=O)O)C Z1262511487 [0,2,0,0,0,0|0,0,1]=3 94 B9R0.20 CCCCCC(C)(C)CN Z995183114 [0,0,2,0,0,0|1,0,1]=4 95 B9R0.1 CC(C)CCCC(C)CN Z5875145536 [0,0,2,0,0,0|1,0,1]=4 96 B11R2.23 O=CC1(CC1)C2CCCO2 Z2724068577 [0,0,1,1,0,0|2,0,0]=4 97 B11R2.198 CC1(C(=O)C2C1OCC2)C Z1233172470 [0,0,1,1,0,0|2,0,0]=4 98 B11R3.107 C1CC2CC1C3C2NC3 Z1203832337 [1,0,0,1,0,0|1,0,1]=4 99 B13R3.2732 C[C@]12CNC[C@H]1[C@H]3CC[C@@H]2C3 Z2934170334 [0,1,0,1,0,0|0,0,2]=4 100 B9R1.62 CC(C)(C=O)C1CCC1 Z3300786907 [0,0,1,0,1,0|1,0,0]=3 101 B9R1.62 CC(C)(CN)C1CCC1 Z2235644501 [0,0,1,0,1,0|1,0,1]=4 102 B11R1.7 CC(C)(C#N)C1CCCCC1 Z1255487190 [0,0,1,0,0,1|1,0,1]=4 103 B11R1.7 CC(C)(C=O)C1CCCCO1 Z2755013959 [0,0,1,0,0,1|1,0,0]=3 104 B11R1.7 CC(C)(C=O)C1CCOCC1 Z1255445661 [0,0,1,0,0,1|1,0,0]=3 105 B11R1.7 CC(C)(C=O)N1CCOCC1 Z1201623154 [0,0,1,0,0,1|2,0,0]=4 106 B11R1.7 CC(C)(CN)C1CCCCO1 Z1407758951 [0,0,1,0,0,1|1,0,1]=4 107 B11R1.7 COC(C)(C)C1CCNCC1 Z2941210450 [0,0,1,0,0,1|1,0,1]=4 108 B11R1.136 CC(C)(C=O)CC1CCCC1 Z2301244514 [0,0,1,0,0,1|1,0,0]=3 109 B11R1.136 CC(C)(C=O)OC1CCOC1 Z3300732439 [0,0,1,0,0,1|2,0,0]=4 110 B11R1.35 CC(Cl)C(=O)NC1CCCC1 Z56921832 [0,0,1,0,0,1|2,0,0]=4 111 B11R1.35 CC(N)C(=O)NC1CCCC1 Z763366330 [0,0,1,0,0,1|2,0,0]=4 112 B11R1.35 C[C@H](N)C(=O)OC1CCCC1 Z1350606474 [0,0,1,0,0,1|2,0,0]=4 113 B11R1.36 CC(C)C(=O)C1CCCCC1 Z513734812 [0,0,1,0,0,1|1,0,0]=3 114 B11R1.36 CC(C)C(=O)N1CCNCC1 Z90665640 [0,0,1,0,0,1|2,0,0]=4 115 B11R1.36 CC(C)C(=O)N1CCOCC1 Z54128064 [0,0,1,0,0,1|2,0,0]=4 116 B11R1.36 CC(C)C(O)C1CCCCC1 Z513750616 [0,0,1,0,0,1|1,0,1]=4 117 B11R1.36 CC(C)N(C)C1CCNCC1 Z744843526 [0,0,1,0,0,1|1,0,1]=4 118 B11R1.36 CC(Cl)C(=O)C1CCOCC1 Z2751591104 [0,0,1,0,0,1|2,0,0]=4 119 B11R1.36 CN(C)C(=O)C1CCCCC1 Z32014412 [0,0,1,0,0,1|2,0,0]=4 120 B11R1.36 CN(C)C(=O)C1CCCNC1 Z1162448846 [0,0,1,0,0,1|2,0,0]=4 121 B11R1.36 CN(C)C(=O)C1CCOCC1 Z102853554 [0,0,1,0,0,1|2,0,0]=4 122 B11R1.77 CC(C)NC(=O)C1CCCC1 Z31386049 [0,0,1,0,0,1|1,0,0]=3 123 B11R1.77 CC(C)NC(=O)C1CCCO1 Z31384772 [0,0,1,0,0,1|2,0,0]=4 124 B11R1.77 CC(C)OC(=O)C1CCCC1 Z55022202 [0,0,1,0,0,1|1,0,0]=3 125 B11R1.77 CC(C)OC(=O)[C@@H]1CCCN1 Z756916182 [0,0,1,0,0,1|2,0,0]=4 126 B11R1.3 CC(C)C1=CCC(CC1)C=O Z1511819317 [0,0,1,0,0,1|1,0,1]=4 127 B11R1.3 CC(C)C1CC=C(CC1)C=O Z1511742698 [0,0,1,0,0,1|1,0,1]=4 128 B11R1.3 CC(C)C1CCC(CC1)C#N Z995157958 [0,0,1,0,0,1|1,0,1]=4 129 B11R1.3 CC(C)C1CCC(CC1)C=O Z1268606422 [0,0,1,0,0,1|1,0,0]=3 130 B11R1.3 CC(C)C1CCC(CC1)CN Z995157962 [0,0,1,0,0,1|1,0,1]=4 131 B11R1.3 CC(C)C1CCC(CC1)CO Z1255438893 [0,0,1,0,0,1|1,0,1]=4 132 B11R1.266 CC(C)C1CC(CCO1)C=O Z1268606449 [0,0,1,0,0,1|1,0,0]=3 133 B11R1.266 CC(C)C1CC(CCO1)CN Z2235791458 [0,0,1,0,0,1|1,0,1]=4 134 B11R2.367 CC1C(=O)C2CCN1CC2 Z4371528740 [1,0,0,0,0,1|2,0,0]=4