0 B9R0.37 CCC(CC)C(N)CCO MCULE-9349458788 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.37 CCCC(=O)N(CC)CC MCULE-7978944732 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.37 CCCC(O)C(CC)CO MCULE-4462593004 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.37 CCOC(=O)C(CC)CC MCULE-7772354533 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.37 CCOC(=O)C(CO)CO MCULE-6705009475 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.3 C#CC(O)C(C)CCC MCULE-8667738033 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.3 CCC(C)N(C)CCN MCULE-5072902037 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.3 CCCC(=O)C(Br)CC MCULE-6260182699 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.3 CCCC(=O)C(C)CC MCULE-7559638932 [1,0,0,0,0,0|0,0,2]=3 9 B8R0.3 CCCC(=O)C(N)CO MCULE-4196745965 [1,0,0,0,0,0|1,0,2]=4 10 B8R0.3 CCCC(=O)C(N)CO MCULE-9001126199 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.3 CCCC(C)C(=O)CC MCULE-9990200653 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.3 CCCC(C)C(C)CC MCULE-1049161950 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.3 CCCC(C)C(N)CO MCULE-7204075039 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.3 CCCC(C)C(N)CO MCULE-9206965368 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.3 CCCC(C)C(O)CC MCULE-5128705007 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.3 CCCC(O)C(C)CC MCULE-5746279508 [1,0,0,0,0,0|0,0,0]=1 17 B8R0.3 CCCC(O)C(N)CO MCULE-6983866986 [1,0,0,0,0,0|1,0,0]=2 18 B8R0.3 CCN(C)C(C)CCN MCULE-2896639711 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.3 CCOC(=O)C(C)CC MCULE-3895639860 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.3 CCOC(=O)C(C)CO MCULE-7936560025 [1,0,0,0,0,0|1,0,2]=4 21 B8R0.3 CCOC(=O)C(O)CC MCULE-7418568069 [1,0,0,0,0,0|1,0,2]=4 22 B8R0.3 CCOC(=O)[C@@H](O)CC MCULE-5702747043 [1,0,0,0,0,0|1,0,2]=4 23 B8R0.3 CCOC(=O)[C@@H](O)CC MCULE-6151562245 [1,0,0,0,0,0|1,0,2]=4 24 B8R0.3 CCOC(=O)[C@H](O)CC MCULE-8200594440 [1,0,0,0,0,0|1,0,2]=4 25 B8R0.3 O=CCC(O)C(O)CO MCULE-3895407431 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO MCULE-1639637147 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO MCULE-4968821647 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.3 O=CC[C@@H](O)[C@H](O)CO MCULE-5691852027 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.3 O=CC[C@H](O)[C@H](O)CO MCULE-4741377107 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.3 O=CC[C@H](O)[C@H](O)CO MCULE-6728124442 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.3 O=CC[C@H](O)[C@H](O)CO MCULE-7223741689 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.11 C=CCCC(CC)CC MCULE-4565670990 [1,0,0,0,0,0|1,0,2]=4 33 B8R0.11 CCC(CC)NCCN MCULE-5623637031 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.11 CCC(CC)NCCO MCULE-3949639362 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.11 CCC(CCl)OCCCl MCULE-7646249933 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.11 CCCC=C(CC)CO MCULE-5047095723 [1,0,0,0,0,0|0,0,2]=3 37 B8R0.11 CCCCC(C#N)CC MCULE-2736907421 [1,0,0,0,0,0|1,0,1]=3 38 B8R0.11 CCCCC(C=O)CC MCULE-1141216024 [1,0,0,0,0,0|0,0,2]=3 39 B8R0.11 CCCCC(CC)CBr MCULE-5038833858 [1,0,0,0,0,0|1,0,0]=2 40 B8R0.11 CCCCC(CC)CCl MCULE-1634307816 [1,0,0,0,0,0|1,0,0]=2 41 B8R0.11 CCCCC(CC)CI MCULE-8161503442 [1,0,0,0,0,0|1,0,0]=2 42 B8R0.11 CCCCC(CC)CN MCULE-1662642024 [1,0,0,0,0,0|1,0,0]=2 43 B8R0.11 CCCCC(CC)CN MCULE-4352983814 [1,0,0,0,0,0|1,0,0]=2 44 B8R0.11 CCCCC(CC)CN MCULE-8640566132 [1,0,0,0,0,0|1,0,0]=2 45 B8R0.11 CCCCC(CC)CO MCULE-1768780358 [1,0,0,0,0,0|0,0,0]=1 46 B8R0.11 CCCCC(CC)CS MCULE-6473515213 [1,0,0,0,0,0|0,1,0]=2 47 B8R0.11 CCCCC(CN)NC MCULE-7555946294 [1,0,0,0,0,0|2,0,0]=3 48 B8R0.11 CCCCC(CO)CO MCULE-4148067977 [1,0,0,0,0,0|1,0,0]=2 49 B8R0.11 CCCCC(CO)NC MCULE-5217517371 [1,0,0,0,0,0|1,0,0]=2 50 B8R0.11 CCCCN(CC)CC MCULE-6838692277 [1,0,0,0,0,0|2,0,0]=3 51 B8R0.11 CCCC[C@@H](CC)CBr MCULE-7851829874 [1,0,0,0,0,0|1,0,0]=2 52 B8R0.11 CCCNC(CC)CC MCULE-3635515629 [1,0,0,0,0,0|2,0,0]=3 53 B8R0.11 CCCNC(CC)CC MCULE-6579619354 [1,0,0,0,0,0|2,0,0]=3 54 B8R0.11 CCCOC(CC)CN MCULE-9936594334 [1,0,0,0,0,0|2,0,0]=3 55 B8R0.11 CCN(CC)CCCBr MCULE-2517291038 [1,0,0,0,0,0|3,0,0]=4 56 B8R0.11 CCN(CC)CCCBr MCULE-9954923593 [1,0,0,0,0,0|3,0,0]=4 57 B8R0.11 CCN(CC)CCCCl MCULE-2724763491 [1,0,0,0,0,0|3,0,0]=4 58 B8R0.11 CCN(CC)CCCCl MCULE-3873676899 [1,0,0,0,0,0|3,0,0]=4 59 B8R0.11 CCN(CC)CCCN MCULE-3276617369 [1,0,0,0,0,0|3,0,0]=4 60 B8R0.11 CCN(CC)CCCO MCULE-1181948733 [1,0,0,0,0,0|3,0,0]=4 61 B8R0.11 CCN(CC)CCNC MCULE-3590215864 [1,0,0,0,0,0|3,0,0]=4 62 B8R0.11 CCNCC(CC)CC MCULE-6491999096 [1,0,0,0,0,0|2,0,0]=3 63 B8R0.11 COC(CN)CCSC MCULE-1834354805 [1,0,0,0,0,0|3,0,0]=4 64 B8R0.20 CCC(C)C(CN)OC MCULE-5181614773 [1,0,0,0,0,0|3,0,0]=4 65 B8R0.20 CCC(C)C(CO)OC MCULE-9009724151 [1,0,0,0,0,0|2,0,0]=3 66 B8R0.20 CCC(CC)C(O)CN MCULE-3311357012 [1,0,0,0,0,0|2,0,0]=3 67 B8R0.20 CCC(CC)C(O)CO MCULE-2947428739 [1,0,0,0,0,0|2,0,0]=3 68 B8R0.20 CCC(CN)N(C)CC MCULE-8850303439 [1,0,0,0,0,0|3,0,0]=4 69 B8R0.20 CCC(CO)C(=O)OC MCULE-3580039708 [1,0,0,0,0,0|1,0,2]=4 70 B8R0.20 CCC(N)N(CC)CC MCULE-6202857859 [1,0,0,0,0,0|3,0,0]=4 71 B8R0.20 CCC(O)C(CC)CC MCULE-1113039438 [1,0,0,0,0,0|1,0,0]=2 72 B8R0.20 COC(C)C(CO)OC MCULE-5469068997 [1,0,0,0,0,0|3,0,0]=4 73 B8R0.20 COC(CO)C(Br)CO MCULE-7125758160 [1,0,0,0,0,0|3,0,0]=4 74 B10R0.21 CCCCC(=O)C(CC)CC MCULE-5683152673 [0,1,0,0,0,0|1,0,2]=4 75 B10R0.101 CCOC(=O)C(CC)C(C)O MCULE-6720103507 [0,1,0,0,0,0|1,0,2]=4 76 B10R1.5 CCCC1CCCC1CN MCULE-4555488401 [0,0,0,1,0,0|2,0,0]=3 77 B10R1.5 CCCC1CCCC1CN MCULE-7754450722 [0,0,0,1,0,0|2,0,0]=3 78 B10R1.5 CCCN1CCC[C@H]1CN MCULE-2601229741 [0,0,0,1,0,0|3,0,0]=4 79 B10R1.5 CCOC1CNCC1CO MCULE-4909963228 [0,0,0,1,0,0|3,0,0]=4 80 B10R1.5 NCCN1CCCC1CO MCULE-8553167204 [0,0,0,1,0,0|3,0,0]=4 81 B10R1.5 NCCN1CCC[C@H]1CO MCULE-7904793777 [0,0,0,1,0,0|3,0,0]=4 82 B10R1.9 BrCC(CBr)C1CCCC1 MCULE-3810650013 [0,0,0,1,0,0|3,0,0]=4 83 B10R1.9 CCC(CC)C1CCNC1 MCULE-5234112916 [0,0,0,1,0,0|3,0,0]=4 84 B10R1.9 CCC(CC)N1CCCC1 MCULE-6005735884 [0,0,0,1,0,0|3,0,0]=4 85 B10R1.9 CCC(CN)N1CCCC1 MCULE-4109573673 [0,0,0,1,0,0|3,0,0]=4 86 B10R1.9 COC(CBr)C1CCCC1 MCULE-5832580134 [0,0,0,1,0,0|3,0,0]=4 87 B10R1.9 COC(CN)C1CCCC1 MCULE-8927349422 [0,0,0,1,0,0|3,0,0]=4 88 B10R1.9 COC(CN)C1CCCO1 MCULE-2792788133 [0,0,0,1,0,0|2,0,0]=3 89 B10R1.9 COC(CO)C1CCCC1 MCULE-1333315830 [0,0,0,1,0,0|2,0,0]=3 90 B10R1.9 NCC(CO)N1CCCC1 MCULE-3537001159 [0,0,0,1,0,0|3,0,0]=4 91 B10R1.9 NOC(CO)C1CCCC1 MCULE-5965593371 [0,0,0,1,0,0|3,0,0]=4 92 B10R1.9 NOC(CO)C1CCCC1 MCULE-6887805453 [0,0,0,1,0,0|3,0,0]=4 93 B10R1.9 OCC(CO)C1CCCC1 MCULE-7383068892 [0,0,0,1,0,0|2,0,0]=3 94 B10R1.9 OCC(CO)C1CCOC1 MCULE-6684445223 [0,0,0,1,0,0|3,0,0]=4 95 B10R1.11 CCCC(=O)C1CCCC1 MCULE-4828860258 [0,0,0,1,0,0|1,0,2]=4 96 B10R1.11 CCCC(C)C1CCCN1 MCULE-9640401188 [0,0,0,1,0,0|3,0,0]=4 97 B10R1.11 CCCC(N)C1CCCC1 MCULE-5066983455 [0,0,0,1,0,0|2,0,0]=3 98 B10R1.11 CCOC(=O)C1CCOC1 MCULE-3052876388 [0,0,0,1,0,0|1,0,2]=4 99 B10R1.11 N#CCC(O)C1CCCC1 MCULE-5868086101 [0,0,0,1,0,0|2,0,1]=4 100 B10R1.11 N#CC[C@H](O)C1CCCC1 MCULE-5419430208 [0,0,0,1,0,0|2,0,1]=4 101 B10R1.11 N#CC[C@H](O)C1CCCC1 MCULE-9109438367 [0,0,0,1,0,0|2,0,1]=4 102 B10R1.11 NC(CCO)C1CCCC1 MCULE-1231514593 [0,0,0,1,0,0|3,0,0]=4 103 B10R1.11 NCCC(O)C1CCCC1 MCULE-3312004577 [0,0,0,1,0,0|2,0,0]=3 104 B10R1.19 CCC1CCCCCC1=O MCULE-8032779658 [0,0,0,1,0,0|1,0,2]=4 105 B10R1.19 CN1CCCCCC1CN MCULE-6708625209 [0,0,0,1,0,0|3,0,0]=4 106 B10R1.19 COC1CCCCCC1N MCULE-5223841003 [0,0,0,1,0,0|3,0,0]=4 107 B10R1.19 NC1CCCCCC1CO MCULE-2803910179 [0,0,0,1,0,0|1,0,0]=2 108 B10R1.19 O=C1CCCCCN1CO MCULE-8622356666 [0,0,0,1,0,0|1,0,2]=4 109 B10R1.19 O=C1NCCCCC1CO MCULE-8501668247 [0,0,0,1,0,0|1,0,2]=4 110 B10R1.19 O=CC1CCCCCC1Cl MCULE-2719076051 [0,0,0,1,0,0|1,0,2]=4 111 B10R1.25 CC1CCC(C(C1)C)C=O MCULE-2384784385 [0,0,0,1,0,0|1,0,2]=4 112 B10R1.25 CC1CCC(C(C1)C)CO MCULE-5468256653 [0,0,0,1,0,0|1,0,0]=2 113 B10R1.25 CCC1CCC(CC1=O)C MCULE-6201444288 [0,0,0,1,0,0|1,0,2]=4 114 B10R1.245 CC1CCCC(C1CN)C MCULE-8034462116 [0,0,0,1,0,0|2,0,0]=3 115 B10R1.245 CC1CCCC(C1CO)C MCULE-9581460597 [0,0,0,1,0,0|1,0,0]=2 116 B10R1.245 CNC1C(CCCC1C)C MCULE-1136080288 [0,0,0,1,0,0|3,0,0]=4 117 B10R1.245 CNC1C(CCCC1C)C MCULE-7836462014 [0,0,0,1,0,0|3,0,0]=4 118 B10R1.405 CCOC(=O)C1(CC1)CO MCULE-9901978215 [0,0,0,1,0,0|1,0,2]=4 119 B10R1.478 CCC1(CCCC1=O)CC MCULE-4610912048 [0,0,0,1,0,0|1,0,2]=4 120 B10R0.34 CCN(CC)CC(O)COC MCULE-8465874185 [0,0,0,0,0,1|3,0,0]=4 121 B7R0.3 C#CC(O)CCCC MCULE-8547184224 [2,0,0,0,0,0|0,0,2]=4 122 B7R0.3 C#CCCC(O)CC MCULE-2969540863 [2,0,0,0,0,0|0,0,2]=4 123 B7R0.3 C=C(CC)CCCC MCULE-5118701402 [2,0,0,0,0,0|0,0,2]=4 124 B7R0.3 C=CC(O)CCCC MCULE-1674668011 [2,0,0,0,0,0|0,0,2]=4 125 B7R0.3 C=CCCC(O)CC MCULE-1265881694 [2,0,0,0,0,0|0,0,2]=4 126 B7R0.3 CC#CCC(O)CC MCULE-3474605709 [2,0,0,0,0,0|0,0,2]=4 127 B7R0.3 CC(CN)CCCN MCULE-1249275042 [2,0,0,0,0,0|2,0,0]=4 128 B7R0.3 CC(CN)CCCO MCULE-2908684674 [2,0,0,0,0,0|2,0,0]=4 129 B7R0.3 CC(CN)CCCO MCULE-5608783947 [2,0,0,0,0,0|2,0,0]=4 130 B7R0.3 CC(CN)CCCO MCULE-9269954426 [2,0,0,0,0,0|2,0,0]=4 131 B7R0.3 CC(CO)CCCO MCULE-8589885622 [2,0,0,0,0,0|1,0,0]=3 132 B7R0.3 CC(CO)NCCO MCULE-5180763491 [2,0,0,0,0,0|2,0,0]=4 133 B7R0.3 CC/C=C/C(C)CC MCULE-2438890702 [2,0,0,0,0,0|0,0,2]=4 134 B7R0.3 CC=CCC(C)CC MCULE-4817855750 [2,0,0,0,0,0|0,0,2]=4 135 B7R0.3 CCC(C)CCCO MCULE-2323419626 [2,0,0,0,0,0|1,0,0]=3 136 B7R0.3 CCC(C)NCCO MCULE-1340916666 [2,0,0,0,0,0|2,0,0]=4 137 B7R0.3 CCC(Cl)CCCCl MCULE-6770226574 [2,0,0,0,0,0|2,0,0]=4 138 B7R0.3 CCC(N)CCCO MCULE-3868205501 [2,0,0,0,0,0|2,0,0]=4 139 B7R0.3 CCC(N)CCOC MCULE-8279767210 [2,0,0,0,0,0|2,0,0]=4 140 B7R0.3 CCC(O)CCCN MCULE-1491163174 [2,0,0,0,0,0|1,0,0]=3 141 B7R0.3 CCC(O)CCCN MCULE-5150508895 [2,0,0,0,0,0|1,0,0]=3 142 B7R0.3 CCC(O)CCCO MCULE-1099760826 [2,0,0,0,0,0|1,0,0]=3 143 B7R0.3 CCC(O)CCOC MCULE-1245099360 [2,0,0,0,0,0|1,0,0]=3 144 B7R0.3 CCC=CC(C)CC MCULE-8910467842 [2,0,0,0,0,0|0,0,2]=4 145 B7R0.3 CCCC=C(C)CC MCULE-4699949699 [2,0,0,0,0,0|0,0,2]=4 146 B7R0.3 CCCCC(=NO)C MCULE-8239265636 [2,0,0,0,0,0|1,0,1]=4 147 B7R0.3 CCCCC(=O)CC MCULE-7758340382 [2,0,0,0,0,0|0,0,2]=4 148 B7R0.3 CCCCC(Br)CBr MCULE-9142273359 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.3 CCCCC(Br)CC MCULE-3813549657 [2,0,0,0,0,0|1,0,0]=3 150 B7R0.3 CCCCC(C)CC MCULE-9471981954 [2,0,0,0,0,0|0,0,0]=2 151 B7R0.3 CCCCC(C)NC MCULE-7492621121 [2,0,0,0,0,0|1,0,0]=3 152 B7R0.3 CCCCC(Cl)CCl MCULE-6681580076 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.3 CCCCC(N)CC MCULE-1353863738 [2,0,0,0,0,0|1,0,0]=3 154 B7R0.3 CCCCC(N)CC MCULE-9870475040 [2,0,0,0,0,0|1,0,0]=3 155 B7R0.3 CCCCC(N)CN MCULE-2038464943 [2,0,0,0,0,0|2,0,0]=4 156 B7R0.3 CCCCC(N)CO MCULE-1874423109 [2,0,0,0,0,0|1,0,0]=3 157 B7R0.3 CCCCC(N)CO MCULE-2041767659 [2,0,0,0,0,0|1,0,0]=3 158 B7R0.3 CCCCC(N)CO MCULE-4533575851 [2,0,0,0,0,0|1,0,0]=3 159 B7R0.3 CCCCC(N)CO MCULE-7141990411 [2,0,0,0,0,0|1,0,0]=3 160 B7R0.3 CCCCC(O)CBr MCULE-8416535559 [2,0,0,0,0,0|1,0,0]=3 161 B7R0.3 CCCCC(O)CC MCULE-3912386534 [2,0,0,0,0,0|0,0,0]=2 162 B7R0.3 CCCCC(O)CN MCULE-1383380728 [2,0,0,0,0,0|1,0,0]=3 163 B7R0.3 CCCCC(O)CO MCULE-6903923961 [2,0,0,0,0,0|1,0,0]=3 164 B7R0.3 CCCCN(C)CC MCULE-7723007145 [2,0,0,0,0,0|1,0,0]=3 165 B7R0.3 CCCC[C@@H](N)CO MCULE-1379297850 [2,0,0,0,0,0|1,0,0]=3 166 B7R0.3 CCCC[C@@H](N)CO MCULE-5016786633 [2,0,0,0,0,0|1,0,0]=3 167 B7R0.3 CCCC[C@@H](N)CO MCULE-6669873658 [2,0,0,0,0,0|1,0,0]=3 168 B7R0.3 CCCC[C@@H](N)CO MCULE-6809294141 [2,0,0,0,0,0|1,0,0]=3 169 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [2,0,0,0,0,0|0,0,2]=4 170 B7R0.3 CCCC[C@H](N)CO MCULE-3277509271 [2,0,0,0,0,0|1,0,0]=3 171 B7R0.3 CCCC[C@H](N)CO MCULE-5867397890 [2,0,0,0,0,0|1,0,0]=3 172 B7R0.3 CCCNC(C)CC MCULE-8533643430 [2,0,0,0,0,0|1,0,0]=3 173 B7R0.3 CCCNC(C)CO MCULE-6575712324 [2,0,0,0,0,0|1,0,0]=3 174 B7R0.3 CCCOC(C)CN MCULE-2816840734 [2,0,0,0,0,0|2,0,0]=4 175 B7R0.3 CCCOC(C)CN MCULE-6461157704 [2,0,0,0,0,0|2,0,0]=4 176 B7R0.3 CCN(C)CCCCl MCULE-3619674048 [2,0,0,0,0,0|2,0,0]=4 177 B7R0.3 CCN(C)CCCCl MCULE-3845564178 [2,0,0,0,0,0|2,0,0]=4 178 B7R0.3 CCN(C)CCCN MCULE-2231565296 [2,0,0,0,0,0|2,0,0]=4 179 B7R0.3 CCN(C)CCCO MCULE-9090885474 [2,0,0,0,0,0|2,0,0]=4 180 B7R0.3 CCN(C)CCNC MCULE-3001815120 [2,0,0,0,0,0|2,0,0]=4 181 B7R0.3 CCNCC(C)CC MCULE-8768620428 [2,0,0,0,0,0|1,0,0]=3 182 B7R0.3 CCNCC(C)CC MCULE-9491990692 [2,0,0,0,0,0|1,0,0]=3 183 B7R0.3 CCNCC(C)OC MCULE-9115511555 [2,0,0,0,0,0|2,0,0]=4 184 B7R0.3 CCNCC(O)CC MCULE-9820144398 [2,0,0,0,0,0|1,0,0]=3 185 B7R0.3 CCOCC(C)CO MCULE-6831759423 [2,0,0,0,0,0|1,0,0]=3 186 B7R0.3 CCOCC(N)CC MCULE-2793834769 [2,0,0,0,0,0|2,0,0]=4 187 B7R0.3 CCOCC(N)CC MCULE-5142543434 [2,0,0,0,0,0|2,0,0]=4 188 B7R0.3 CCOCC(N)CO MCULE-8546500751 [2,0,0,0,0,0|2,0,0]=4 189 B7R0.3 CCOCC(O)CCl MCULE-5119359541 [2,0,0,0,0,0|2,0,0]=4 190 B7R0.3 CCOCC(O)CN MCULE-2355759727 [2,0,0,0,0,0|2,0,0]=4 191 B7R0.3 CCOCC(O)CO MCULE-2728952355 [2,0,0,0,0,0|2,0,0]=4 192 B7R0.3 CCSCC(C)NC MCULE-6245105657 [2,0,0,0,0,0|2,0,0]=4 193 B7R0.3 CC[C@H](C)CCCO MCULE-1760153718 [2,0,0,0,0,0|1,0,0]=3 194 B7R0.3 CC[C@H](C)CCCO MCULE-3488695651 [2,0,0,0,0,0|1,0,0]=3 195 B7R0.3 CNC(C)CCSC MCULE-2095620023 [2,0,0,0,0,0|2,0,0]=4 196 B7R0.3 COCCC(C)CN MCULE-7288397543 [2,0,0,0,0,0|2,0,0]=4 197 B7R0.3 COCCC(N)CO MCULE-9758817920 [2,0,0,0,0,0|2,0,0]=4 198 B7R0.3 COCOC(C)CO MCULE-5033492685 [2,0,0,0,0,0|2,0,0]=4 199 B7R0.3 COCO[C@@H](C)CO MCULE-2279257941 [2,0,0,0,0,0|2,0,0]=4 200 B7R0.3 COCO[C@H](C)CO MCULE-6639618074 [2,0,0,0,0,0|2,0,0]=4 201 B7R0.3 COCO[C@H](C)CO MCULE-9421136678 [2,0,0,0,0,0|2,0,0]=4 202 B7R0.3 CSCCC(N)CO MCULE-1688371230 [2,0,0,0,0,0|2,0,0]=4 203 B7R0.3 CSCCC(O)CN MCULE-3835830442 [2,0,0,0,0,0|2,0,0]=4 204 B7R0.3 CSCC[C@@H](N)CO MCULE-2764794918 [2,0,0,0,0,0|2,0,0]=4 205 B7R0.3 CSCC[C@@H](N)CO MCULE-7120101109 [2,0,0,0,0,0|2,0,0]=4 206 B7R0.3 CSCC[C@H](N)CO MCULE-6014525130 [2,0,0,0,0,0|2,0,0]=4 207 B7R0.3 CSCC[C@H](N)CO MCULE-9216326176 [2,0,0,0,0,0|2,0,0]=4 208 B7R0.3 C[C@@H](CN)CCCO MCULE-2859776250 [2,0,0,0,0,0|2,0,0]=4 209 B7R0.3 C[C@@H](CN)CCCO MCULE-3245433953 [2,0,0,0,0,0|2,0,0]=4 210 B7R0.3 C[C@@H](CN)CCCO MCULE-7698870351 [2,0,0,0,0,0|2,0,0]=4 211 B7R0.3 C[C@@H](CN)CCCO MCULE-9900676606 [2,0,0,0,0,0|2,0,0]=4 212 B7R0.3 OCCCC(O)CO MCULE-3529953491 [2,0,0,0,0,0|2,0,0]=4 213 B7R0.5 C#CCC(O)C(C)C MCULE-5540203369 [2,0,0,0,0,0|0,0,2]=4 214 B7R0.5 C=CCC(O)C(C)C MCULE-2334905388 [2,0,0,0,0,0|0,0,2]=4 215 B7R0.5 CC(C)C(C)CCO MCULE-9837449555 [2,0,0,0,0,0|2,0,0]=4 216 B7R0.5 CC(C)C(N)CCO MCULE-4571836019 [2,0,0,0,0,0|2,0,0]=4 217 B7R0.5 CC(C)C(O)CC#N MCULE-5148911726 [2,0,0,0,0,0|1,0,1]=4 218 B7R0.5 CC(C)C(O)CCCl MCULE-3510291624 [2,0,0,0,0,0|1,0,0]=3 219 B7R0.5 CC(C)C(O)CCN MCULE-2039463209 [2,0,0,0,0,0|1,0,0]=3 220 B7R0.5 CC(C)C(O)CCN MCULE-2941304015 [2,0,0,0,0,0|1,0,0]=3 221 B7R0.5 CC(C)C(O)CCO MCULE-8819967893 [2,0,0,0,0,0|1,0,0]=3 222 B7R0.5 CC(C)[C@H](N)CCO MCULE-5628923252 [2,0,0,0,0,0|2,0,0]=4 223 B7R0.5 CC(C)[C@H](O)CCN MCULE-1853419872 [2,0,0,0,0,0|1,0,0]=3 224 B7R0.5 CC(C)[C@H](O)CCN MCULE-1886424228 [2,0,0,0,0,0|1,0,0]=3 225 B7R0.5 CC(C)[C@H](O)CCN MCULE-7762475170 [2,0,0,0,0,0|1,0,0]=3 226 B7R0.5 CC(C)[C@H](O)CCN MCULE-8675177820 [2,0,0,0,0,0|1,0,0]=3 227 B7R0.5 CCCC(=O)C(C)C MCULE-7690543374 [2,0,0,0,0,0|0,0,2]=4 228 B7R0.5 CCCC(Br)C(C)Br MCULE-4740207556 [2,0,0,0,0,0|2,0,0]=4 229 B7R0.5 CCCC(C)C(C)C MCULE-1008931357 [2,0,0,0,0,0|1,0,0]=3 230 B7R0.5 CCCC(C)C(C)N MCULE-3555650010 [2,0,0,0,0,0|2,0,0]=4 231 B7R0.5 CCCC(C)C(C)N MCULE-8637319249 [2,0,0,0,0,0|2,0,0]=4 232 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [2,0,0,0,0,0|1,0,0]=3 233 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [2,0,0,0,0,0|1,0,1]=4 234 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [2,0,0,0,0,0|1,0,1]=4 235 B7R0.5 CCCC(O)C(C)C MCULE-8942406791 [2,0,0,0,0,0|0,0,0]=2 236 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [2,0,0,0,0,0|1,0,1]=4 237 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [2,0,0,0,0,0|1,0,1]=4 238 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [2,0,0,0,0,0|1,0,1]=4 239 B7R0.5 CCNC(C)C(C)C MCULE-4222747158 [2,0,0,0,0,0|2,0,0]=4 240 B7R0.5 CCNC(C)C(C)C MCULE-4653009965 [2,0,0,0,0,0|2,0,0]=4 241 B7R0.5 CNCC(N)C(C)C MCULE-6535124409 [2,0,0,0,0,0|2,0,0]=4 242 B7R0.5 COCC(N)C(C)C MCULE-4185259512 [2,0,0,0,0,0|2,0,0]=4 243 B7R0.5 COCC(N)C(C)C MCULE-6424539237 [2,0,0,0,0,0|2,0,0]=4 244 B7R0.5 COCC(O)C(C)C MCULE-3818851772 [2,0,0,0,0,0|1,0,0]=3 245 B7R0.5 COC[C@@H](N)C(C)C MCULE-2081062888 [2,0,0,0,0,0|2,0,0]=4 246 B7R0.5 COC[C@@H](N)C(C)C MCULE-3286077946 [2,0,0,0,0,0|2,0,0]=4 247 B7R0.5 COC[C@@H](N)C(C)C MCULE-3882144478 [2,0,0,0,0,0|2,0,0]=4 248 B7R0.5 COC[C@H](N)C(C)C MCULE-3191900867 [2,0,0,0,0,0|2,0,0]=4 249 B7R0.5 COC[C@H](N)C(C)C MCULE-3410691563 [2,0,0,0,0,0|2,0,0]=4 250 B7R0.7 C=C(CCC)CCO MCULE-1774943854 [2,0,0,0,0,0|1,0,1]=4 251 B7R0.7 C=CCC(O)CCC MCULE-4006607391 [2,0,0,0,0,0|0,0,2]=4 252 B7R0.7 CC(CCN)CCO MCULE-7864092529 [2,0,0,0,0,0|2,0,0]=4 253 B7R0.7 CC(CCO)CCO MCULE-5426211201 [2,0,0,0,0,0|2,0,0]=4 254 B7R0.7 CC=CC(O)CCC MCULE-2375824505 [2,0,0,0,0,0|0,0,2]=4 255 B7R0.7 CCCC(=O)CCC MCULE-1621649928 [2,0,0,0,0,0|0,0,2]=4 256 B7R0.7 CCCC(Br)CCBr MCULE-7954993658 [2,0,0,0,0,0|2,0,0]=4 257 B7R0.7 CCCC(Br)CCC MCULE-4124374663 [2,0,0,0,0,0|1,0,0]=3 258 B7R0.7 CCCC(C)CCC MCULE-5291190768 [2,0,0,0,0,0|1,0,0]=3 259 B7R0.7 CCCC(C)CCO MCULE-6887128167 [2,0,0,0,0,0|1,0,0]=3 260 B7R0.7 CCCC(C)NCC MCULE-3443551812 [2,0,0,0,0,0|2,0,0]=4 261 B7R0.7 CCCC(C)NCC MCULE-7227087576 [2,0,0,0,0,0|2,0,0]=4 262 B7R0.7 CCCC(C)OCC MCULE-2678814077 [2,0,0,0,0,0|2,0,0]=4 263 B7R0.7 CCCC(N)CCC MCULE-1003038397 [2,0,0,0,0,0|1,0,0]=3 264 B7R0.7 CCCC(N)CCC MCULE-3454953409 [2,0,0,0,0,0|1,0,0]=3 265 B7R0.7 CCCC(N)CCO MCULE-3641094890 [2,0,0,0,0,0|1,0,0]=3 266 B7R0.7 CCCC(N)CCO MCULE-5323991138 [2,0,0,0,0,0|1,0,0]=3 267 B7R0.7 CCCC(N)CCO MCULE-6597027417 [2,0,0,0,0,0|1,0,0]=3 268 B7R0.7 CCCC(N)CCO MCULE-8093709628 [2,0,0,0,0,0|1,0,0]=3 269 B7R0.7 CCCC(O)CCC MCULE-1942797307 [2,0,0,0,0,0|0,0,0]=2 270 B7R0.7 CCCC(O)CCN MCULE-3796998426 [2,0,0,0,0,0|1,0,0]=3 271 B7R0.7 CCCC(O)CCO MCULE-6957178966 [2,0,0,0,0,0|0,0,0]=2 272 B7R0.7 CCCC(S)CCC MCULE-4775274873 [2,0,0,0,0,0|0,1,0]=3 273 B7R0.7 CCCC(S)CCO MCULE-7972451905 [2,0,0,0,0,0|0,1,0]=3 274 B7R0.7 CCCN(C)CCC MCULE-9743961087 [2,0,0,0,0,0|2,0,0]=4 275 B7R0.7 CCC[C@@H](N)CCO MCULE-1862127512 [2,0,0,0,0,0|1,0,0]=3 276 B7R0.7 CCC[C@@H](N)CCO MCULE-3031366486 [2,0,0,0,0,0|1,0,0]=3 277 B7R0.7 CCC[C@@H](N)CCO MCULE-4433535200 [2,0,0,0,0,0|1,0,0]=3 278 B7R0.7 CCC[C@@H](N)CCO MCULE-8325506694 [2,0,0,0,0,0|1,0,0]=3 279 B7R0.7 CCC[C@H](N)CCO MCULE-3164100995 [2,0,0,0,0,0|1,0,0]=3 280 B7R0.7 CCC[C@H](N)CCO MCULE-3262978007 [2,0,0,0,0,0|1,0,0]=3 281 B7R0.7 CCC[C@H](N)CCO MCULE-3382311889 [2,0,0,0,0,0|1,0,0]=3 282 B7R0.7 CCC[C@H](N)CCO MCULE-4865013919 [2,0,0,0,0,0|1,0,0]=3 283 B7R0.7 CCNC(C)CCO MCULE-5904294074 [2,0,0,0,0,0|2,0,0]=4 284 B7R0.7 CNCC(O)CNC MCULE-3978089543 [2,0,0,0,0,0|2,0,0]=4 285 B7R0.7 CNCC(O)COC MCULE-8497493216 [2,0,0,0,0,0|2,0,0]=4 286 B7R0.7 COCC(C)CCO MCULE-6812981556 [2,0,0,0,0,0|2,0,0]=4 287 B7R0.7 COCC(N)CCO MCULE-2569422233 [2,0,0,0,0,0|2,0,0]=4 288 B7R0.7 COCC(O)CCN MCULE-9524454931 [2,0,0,0,0,0|2,0,0]=4 289 B7R0.7 COCC(O)COC MCULE-5364514636 [2,0,0,0,0,0|2,0,0]=4 290 B7R0.7 CSCC(N)CCO MCULE-2899374338 [2,0,0,0,0,0|2,0,0]=4 291 B7R0.7 OCCC(O)CCO MCULE-1162803524 [2,0,0,0,0,0|1,0,0]=3 292 B7R0.10 CCC(=O)C(O)CC MCULE-7549931190 [2,0,0,0,0,0|0,0,2]=4 293 B7R0.10 CCC(C)C(C)CC MCULE-8164178184 [2,0,0,0,0,0|1,0,0]=3 294 B7R0.10 CCC(C)C(N)CO MCULE-3990781918 [2,0,0,0,0,0|2,0,0]=4 295 B7R0.10 CCC(C)C(N)CO MCULE-9261445768 [2,0,0,0,0,0|2,0,0]=4 296 B7R0.10 CCC(C)C(O)CC MCULE-3936368693 [2,0,0,0,0,0|0,0,0]=2 297 B7R0.10 CCC(C)C(O)CN MCULE-1941564207 [2,0,0,0,0,0|1,0,0]=3 298 B7R0.10 CCC(C)C(O)CO MCULE-9999862073 [2,0,0,0,0,0|1,0,0]=3 299 B7R0.10 CCC(N)C(O)CC MCULE-3578258801 [2,0,0,0,0,0|1,0,0]=3 300 B7R0.10 CCC(O)C(C)CO MCULE-3930931405 [2,0,0,0,0,0|0,0,0]=2 301 B7R0.10 CCC(O)C(C)CO MCULE-4472852672 [2,0,0,0,0,0|0,0,0]=2 302 B7R0.10 CCC(S)C(C)CO MCULE-1500370684 [2,0,0,0,0,0|0,1,0]=3 303 B7R0.10 CCN(C)C(C)CO MCULE-3647031998 [2,0,0,0,0,0|2,0,0]=4 304 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-2122638055 [2,0,0,0,0,0|2,0,0]=4 305 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-7964651759 [2,0,0,0,0,0|2,0,0]=4 306 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-8482653298 [2,0,0,0,0,0|2,0,0]=4 307 B7R0.10 CC[C@H](C)[C@H](N)CF MCULE-3409941550 [2,0,0,0,0,0|2,0,0]=4 308 B7R0.10 CC[C@H](C)[C@H](N)CF MCULE-9750756690 [2,0,0,0,0,0|2,0,0]=4 309 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-3647332227 [2,0,0,0,0,0|2,0,0]=4 310 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-5774547825 [2,0,0,0,0,0|2,0,0]=4 311 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-8401203397 [2,0,0,0,0,0|2,0,0]=4 312 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-8452836661 [2,0,0,0,0,0|2,0,0]=4 313 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-9307589673 [2,0,0,0,0,0|2,0,0]=4 314 B7R0.10 NC[C@H](O)[C@H](O)CN MCULE-1073397630 [2,0,0,0,0,0|2,0,0]=4 315 B7R0.10 NC[C@H](O)[C@H](O)CN MCULE-8068595970 [2,0,0,0,0,0|2,0,0]=4 316 B7R0.10 OC(CBr)C(O)CBr MCULE-4608370293 [2,0,0,0,0,0|2,0,0]=4 317 B7R0.10 OC(CCl)C(O)CCl MCULE-9282587936 [2,0,0,0,0,0|2,0,0]=4 318 B7R0.10 OC(CS)C(O)CS MCULE-7432075835 [2,0,0,0,0,0|2,0,0]=4 319 B7R0.10 OCC(O)C(O)CO MCULE-9009953851 [2,0,0,0,0,0|2,0,0]=4 320 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-1593828237 [2,0,0,0,0,0|2,0,0]=4 321 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-7577661973 [2,0,0,0,0,0|2,0,0]=4 322 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-7306394407 [2,0,0,0,0,0|2,0,0]=4 323 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-8013265935 [2,0,0,0,0,0|2,0,0]=4 324 B7R0.10 OC[C@H](O)[C@H](O)CO MCULE-6886999157 [2,0,0,0,0,0|2,0,0]=4 325 B7R0.10 O[C@@H](CS)[C@@H](O)CS MCULE-6947486648 [2,0,0,0,0,0|2,0,0]=4 326 B7R0.10 O[C@@H](CS)[C@@H](O)CS MCULE-8883019394 [2,0,0,0,0,0|2,0,0]=4 327 B7R0.10 O[C@H](CBr)[C@H](O)CBr MCULE-5914686116 [2,0,0,0,0,0|2,0,0]=4 328 B7R0.10 O[C@H](CCl)[C@@H](O)CCl MCULE-8266433235 [2,0,0,0,0,0|2,0,0]=4 329 B7R0.10 O[C@H](CS)[C@@H](O)CS MCULE-3618084743 [2,0,0,0,0,0|2,0,0]=4 330 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-3329450277 [2,0,0,0,0,0|2,0,0]=4 331 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-9065556670 [2,0,0,0,0,0|2,0,0]=4 332 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-9666091728 [2,0,0,0,0,0|2,0,0]=4 333 B7R0.10 [C@@H](C)(CC)[C@@H](N)CO MCULE-4423825378 [2,0,0,0,0,0|2,0,0]=4 334 B7R0.12 CCC(CC)CCN MCULE-4512470364 [2,0,0,0,0,0|2,0,0]=4 335 B7R0.12 CCC(CC)CCO MCULE-1684491793 [2,0,0,0,0,0|2,0,0]=4 336 B7R0.12 CCC(CN)CCO MCULE-4612619767 [2,0,0,0,0,0|2,0,0]=4 337 B7R0.12 CCCC(CN)OC MCULE-6456891707 [2,0,0,0,0,0|2,0,0]=4 338 B7R0.12 CCCC(CO)CO MCULE-2372919180 [2,0,0,0,0,0|1,0,0]=3 339 B7R0.12 CCCC(CO)OC MCULE-9427398002 [2,0,0,0,0,0|1,0,0]=3 340 B7R0.12 CCCN(CC)CC MCULE-4397223277 [2,0,0,0,0,0|2,0,0]=4 341 B7R0.12 CCNC(CC)CC MCULE-2150962345 [2,0,0,0,0,0|2,0,0]=4 342 B7R0.12 CCNC(CC)CC MCULE-7819167061 [2,0,0,0,0,0|2,0,0]=4 343 B7R0.12 CCNC(CC)CO MCULE-2240229411 [2,0,0,0,0,0|1,0,0]=3 344 B7R0.12 CCN[C@@H](CC)CO MCULE-3793090402 [2,0,0,0,0,0|1,0,0]=3 345 B7R0.12 CCN[C@@H](CC)CO MCULE-7960570694 [2,0,0,0,0,0|1,0,0]=3 346 B7R0.12 CCOC(CC)CBr MCULE-9805591276 [2,0,0,0,0,0|2,0,0]=4 347 B7R0.12 CCOC(CC)CN MCULE-3206225209 [2,0,0,0,0,0|2,0,0]=4 348 B7R0.12 CCOC(CC)CN MCULE-9811140121 [2,0,0,0,0,0|2,0,0]=4 349 B7R0.12 CCOC(CO)CBr MCULE-3004663873 [2,0,0,0,0,0|2,0,0]=4 350 B7R0.12 COC(CO)CCN MCULE-1177905249 [2,0,0,0,0,0|2,0,0]=4 351 B7R0.12 COCC(CO)OC MCULE-6775038884 [2,0,0,0,0,0|2,0,0]=4 352 B7R0.12 COC[C@@H](CO)OC MCULE-7098934437 [2,0,0,0,0,0|2,0,0]=4 353 B7R0.12 NCCC(CO)CO MCULE-7028267284 [2,0,0,0,0,0|2,0,0]=4 354 B7R0.12 NCCC(CO)CO MCULE-8865812482 [2,0,0,0,0,0|2,0,0]=4 355 B7R0.12 OCCC(CO)CO MCULE-7198799967 [2,0,0,0,0,0|2,0,0]=4 356 B7R0.15 CC(C)C(CN)CO MCULE-2517509906 [2,0,0,0,0,0|2,0,0]=4 357 B7R0.15 CC(C)C(CO)CO MCULE-8569465631 [2,0,0,0,0,0|2,0,0]=4 358 B7R0.15 CC(O)C(CO)CO MCULE-9986430379 [2,0,0,0,0,0|1,0,0]=3 359 B7R0.15 CCC(CC)C(C)C MCULE-3824081707 [2,0,0,0,0,0|2,0,0]=4 360 B7R0.15 CCC(CC)C(C)N MCULE-1696057542 [2,0,0,0,0,0|2,0,0]=4 361 B7R0.15 CCC(CC)C(C)O MCULE-9742014522 [2,0,0,0,0,0|1,0,0]=3 362 B7R0.15 CCC(CN)C(C)C MCULE-1827845015 [2,0,0,0,0,0|2,0,0]=4 363 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [2,0,0,0,0,0|1,0,1]=4 364 B7R0.15 CCC(CO)C(C)C MCULE-5089280337 [2,0,0,0,0,0|1,0,0]=3 365 B7R0.15 CCC(CO)N(C)C MCULE-2812328375 [2,0,0,0,0,0|2,0,0]=4 366 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [2,0,0,0,0,0|1,0,1]=4 367 B7R0.15 CNC(CO)C(C)C MCULE-5445088789 [2,0,0,0,0,0|2,0,0]=4 368 B7R0.15 COC(CO)C(C)Br MCULE-6071239484 [2,0,0,0,0,0|2,0,0]=4 369 B7R0.15 COC(CO)C(C)C MCULE-8695619177 [2,0,0,0,0,0|2,0,0]=4 370 B7R0.15 COC(CO)C(C)N MCULE-9816044841 [2,0,0,0,0,0|2,0,0]=4 371 B7R0.15 CO[C@@H](CO)C(C)C MCULE-3676351737 [2,0,0,0,0,0|2,0,0]=4 372 B7R0.15 CO[C@H](CO)C(C)C MCULE-2189146072 [2,0,0,0,0,0|2,0,0]=4 373 B7R0.15 CSC(CO)C(C)N MCULE-6491195363 [2,0,0,0,0,0|2,0,0]=4 374 B9R0.6 CCCC(C)C(O)C(C)C MCULE-8969797324 [1,1,0,0,0,0|1,0,0]=3 375 B9R0.6 CCCC(O)C(C)C(C)O MCULE-2897758601 [1,1,0,0,0,0|0,0,0]=2 376 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [1,1,0,0,0,0|1,0,1]=4 377 B9R0.6 C[C@H](O)[C@@H](O)[C@@H](O)CC=O MCULE-2872306796 [1,1,0,0,0,0|1,0,1]=4 378 B9R0.8 CCCCC(=O)C(C)CC MCULE-4208435581 [1,1,0,0,0,0|0,0,2]=4 379 B9R0.8 CCCCC(C)C(C)CC MCULE-4441142939 [1,1,0,0,0,0|1,0,0]=3 380 B9R0.8 CCCOC(=O)C(C)CC MCULE-6816621931 [1,1,0,0,0,0|0,0,2]=4 381 B9R0.8 COCCC(O)C(O)CO MCULE-8755237951 [1,1,0,0,0,0|1,0,0]=3 382 B9R0.8 COCC[C@H](O)[C@H](O)CO MCULE-6552589711 [1,1,0,0,0,0|1,0,0]=3 383 B9R0.19 CCCC(O)C(C)(C)C=O MCULE-4408009121 [1,1,0,0,0,0|0,0,2]=4 384 B9R0.19 CCCC(O)C(C)(C)CO MCULE-6796111058 [1,1,0,0,0,0|0,0,0]=2 385 B9R0.23 CC(O)CN(C)C(C)CO MCULE-4772326357 [1,1,0,0,0,0|2,0,0]=4 386 B9R0.27 CCC(C)C(=O)C(C)CC MCULE-5205263443 [1,1,0,0,0,0|0,0,2]=4 387 B9R0.27 CCC(C)C(O)C(=O)OC MCULE-8434457313 [1,1,0,0,0,0|1,0,1]=4 388 B9R0.27 OCC(O)C(O)C(O)CO MCULE-9129572486 [1,1,0,0,0,0|2,0,0]=4 389 B9R0.27 OC[C@@H](O)C(O)[C@H](O)CO MCULE-8306941933 [1,1,0,0,0,0|2,0,0]=4 390 B9R0.27 OC[C@@H](O)C(O)[C@H](O)CO MCULE-9668936414 [1,1,0,0,0,0|2,0,0]=4 391 B9R0.27 OC[C@H](O)C(O)[C@@H](O)CO MCULE-6137228639 [1,1,0,0,0,0|2,0,0]=4 392 B9R0.27 OC[C@H](O)C(O)[C@@H](O)CO MCULE-9731864914 [1,1,0,0,0,0|2,0,0]=4 393 B9R0.27 OC[C@H](O)[C@@H](O)[C@H](O)CO MCULE-6476329373 [1,1,0,0,0,0|2,0,0]=4 394 B9R0.27 OC[C@H](O)[C@H](O)[C@H](O)CO MCULE-5168116503 [1,1,0,0,0,0|2,0,0]=4 395 B9R0.35 CCCC(=O)C(O)CCC MCULE-8800884172 [1,1,0,0,0,0|0,0,2]=4 396 B9R0.35 CCCC(C)C(C)CCC MCULE-6352331898 [1,1,0,0,0,0|1,0,0]=3 397 B9R0.35 CCCC(C)C(C)NCC MCULE-2966995580 [1,1,0,0,0,0|1,0,0]=3 398 B9R0.35 CCCC(C)C(C)NCC MCULE-8532267003 [1,1,0,0,0,0|1,0,0]=3 399 B9R0.35 CCCC(C)C(O)CCC MCULE-9443004795 [1,1,0,0,0,0|0,0,0]=2 400 B9R0.35 CCCC(O)C(=O)OCC MCULE-6556101983 [1,1,0,0,0,0|0,0,2]=4 401 B9R0.35 COC[C@H](O)[C@@H](O)COC MCULE-8381238593 [1,1,0,0,0,0|1,0,0]=3 402 B9R0.13 CCC(CCOC)C(=O)O MCULE-9329790915 [1,1,0,0,0,0|1,0,1]=4 403 B9R0.13 CCCCC(CC)C(=O)C MCULE-6594996935 [1,1,0,0,0,0|0,0,2]=4 404 B9R0.13 CCCCC(CC)C(=O)Cl MCULE-5129133966 [1,1,0,0,0,0|0,0,2]=4 405 B9R0.13 CCCCC(CC)C(=O)N MCULE-6741704780 [1,1,0,0,0,0|0,0,2]=4 406 B9R0.13 CCCCC(CC)C(=O)O MCULE-5686478683 [1,1,0,0,0,0|0,0,1]=3 407 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6405828438 [1,1,0,0,0,0|0,0,2]=4 408 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6841285360 [1,1,0,0,0,0|0,0,2]=4 409 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-9345456808 [1,1,0,0,0,0|0,0,2]=4 410 B9R0.13 CCCCC(CC)C(C)O MCULE-1362746509 [1,1,0,0,0,0|0,0,0]=2 411 B9R0.13 CCCCC(CN)C(=O)O MCULE-6509321720 [1,1,0,0,0,0|1,0,1]=4 412 B9R0.13 CCCCC(CO)C(=O)C MCULE-8991511326 [1,1,0,0,0,0|0,0,1]=3 413 B9R0.13 CCCCC(CO)C(=O)O MCULE-7586035948 [1,1,0,0,0,0|1,0,1]=4 414 B9R0.13 CCCCC(CO)N(C)C MCULE-2872029159 [1,1,0,0,0,0|1,0,0]=3 415 B9R0.13 CCCCC(NC)C(=O)O MCULE-1290797295 [1,1,0,0,0,0|1,0,1]=4 416 B9R0.13 CCCCC(OC)C(=O)O MCULE-4251070702 [1,1,0,0,0,0|1,0,1]=4 417 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-3017621334 [1,1,0,0,0,0|0,0,1]=3 418 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-9782965208 [1,1,0,0,0,0|0,0,1]=3 419 B9R0.13 CCCC[C@@H](CN)C(=O)O MCULE-8769717308 [1,1,0,0,0,0|1,0,1]=4 420 B9R0.13 CCCC[C@@H](CO)C(=O)O MCULE-4035754044 [1,1,0,0,0,0|1,0,1]=4 421 B9R0.13 CCCC[C@H](CC)C(=O)O MCULE-7435371149 [1,1,0,0,0,0|0,0,1]=3 422 B9R0.13 CCCC[C@H](CN)C(=O)O MCULE-3507398764 [1,1,0,0,0,0|1,0,1]=4 423 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-1956509117 [1,1,0,0,0,0|1,0,1]=4 424 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-3776577040 [1,1,0,0,0,0|1,0,1]=4 425 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-2734051077 [1,1,0,0,0,0|1,0,1]=4 426 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-3251368399 [1,1,0,0,0,0|1,0,1]=4 427 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-5821422660 [1,1,0,0,0,0|1,0,1]=4 428 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-6933942099 [1,1,0,0,0,0|1,0,1]=4 429 B9R0.26 CCC(O)CN(CC)CC MCULE-2420595706 [1,1,0,0,0,0|2,0,0]=4 430 B9R0.40 C=CCC(CC)CCCC MCULE-5009662741 [1,1,0,0,0,0|1,0,0]=3 431 B9R0.40 CCCCC(C=O)CCC MCULE-8456289921 [1,1,0,0,0,0|0,0,2]=4 432 B9R0.40 CCCCC(CC)CC=O MCULE-4596828512 [1,1,0,0,0,0|0,0,1]=3 433 B9R0.40 CCCCC(CC)CCO MCULE-8613992811 [1,1,0,0,0,0|0,0,0]=2 434 B9R0.40 CCCCC(CC)CNC MCULE-8166308391 [1,1,0,0,0,0|1,0,0]=3 435 B9R0.40 CCCCC(CN)CCC MCULE-6624177155 [1,1,0,0,0,0|1,0,0]=3 436 B9R0.40 CCCCN(CC)CCN MCULE-1132662299 [1,1,0,0,0,0|2,0,0]=4 437 B9R0.43 C=C(C)CCC(CC)CC MCULE-8102897212 [1,1,0,0,0,0|1,0,1]=4 438 B9R0.43 CCC(CC)CCC(C)O MCULE-8617358020 [1,1,0,0,0,0|1,0,0]=3 439 B9R0.43 CCC(CC)NCC(C)C MCULE-2869595522 [1,1,0,0,0,0|2,0,0]=4 440 B9R0.43 CCC(CO)CCC(=O)C MCULE-7352596779 [1,1,0,0,0,0|0,0,1]=3 441 B9R0.43 CCC(CO)CCC(C)O MCULE-3799427279 [1,1,0,0,0,0|0,0,0]=2 442 B9R0.43 CCN(CC)CCC(C)N MCULE-1264793155 [1,1,0,0,0,0|2,0,0]=4 443 B9R0.43 CCN(CC)CCC(C)N MCULE-4680827882 [1,1,0,0,0,0|2,0,0]=4 444 B9R0.43 CNC(CO)COC(C)C MCULE-6090466804 [1,1,0,0,0,0|2,0,0]=4 445 B9R0.43 CNC(CO)COC(C)C MCULE-7756381716 [1,1,0,0,0,0|2,0,0]=4 446 B9R0.50 CCC(CC)CCCNC MCULE-5807279832 [1,1,0,0,0,0|1,0,0]=3 447 B9R0.50 CCC(CC)CCCNC MCULE-6064247246 [1,1,0,0,0,0|1,0,0]=3 448 B9R0.50 CCC(CC)COCCCl MCULE-9299873204 [1,1,0,0,0,0|2,0,0]=4 449 B9R0.50 CCC(CC)COCCO MCULE-5042008210 [1,1,0,0,0,0|2,0,0]=4 450 B9R0.50 CCC(CC)NCCOC MCULE-4032886902 [1,1,0,0,0,0|2,0,0]=4 451 B9R0.50 CCCCCC(C=O)CC MCULE-2036961521 [1,1,0,0,0,0|0,0,2]=4 452 B9R0.50 CCCCCC(CC)CC MCULE-6306174845 [1,1,0,0,0,0|1,0,0]=3 453 B9R0.50 CCCCCC(CO)CO MCULE-5254181477 [1,1,0,0,0,0|1,0,0]=3 454 B9R0.50 CCN(CC)CCCCBr MCULE-1265082744 [1,1,0,0,0,0|2,0,0]=4 455 B9R0.50 CCN(CC)CCCCBr MCULE-8030008581 [1,1,0,0,0,0|2,0,0]=4 456 B9R0.50 CCN(CC)CCCCCl MCULE-4423366868 [1,1,0,0,0,0|2,0,0]=4 457 B9R0.50 CCN(CC)CCCCCl MCULE-9646044307 [1,1,0,0,0,0|2,0,0]=4 458 B9R0.50 CCN(CC)CCCCN MCULE-3377557272 [1,1,0,0,0,0|2,0,0]=4 459 B9R0.50 CCN(CC)CCCCN MCULE-6753163319 [1,1,0,0,0,0|2,0,0]=4 460 B9R0.50 CCN(CC)CCCCO MCULE-7172075610 [1,1,0,0,0,0|2,0,0]=4 461 B9R0.50 CCN(CC)CCCNC MCULE-4226958735 [1,1,0,0,0,0|2,0,0]=4 462 B9R0.50 CCNCCN(CC)CC MCULE-3932028152 [1,1,0,0,0,0|2,0,0]=4 463 B9R0.50 CCOCCN(CC)CC MCULE-1343682021 [1,1,0,0,0,0|2,0,0]=4 464 B9R0.50 NCCCCC(CO)CO MCULE-9856529758 [1,1,0,0,0,0|1,0,0]=3 465 B9R0.67 C#CC(O)(CC)CCCC MCULE-7912049261 [1,1,0,0,0,0|1,0,1]=4 466 B9R0.67 CCC(O)(CN)CCCO MCULE-2321305458 [1,1,0,0,0,0|2,0,0]=4 467 B9R0.67 CCC(O)(CN)CCCO MCULE-8592504917 [1,1,0,0,0,0|2,0,0]=4 468 B9R0.67 CCCCC(C)(CC)CC MCULE-3244116618 [1,1,0,0,0,0|1,0,0]=3 469 B9R0.29 CCC(C)C(CO)N(C)C MCULE-7471164138 [1,1,0,0,0,0|2,0,0]=4 470 B9R0.36 CCC(CC)C(CC)CC MCULE-1538347361 [1,1,0,0,0,0|2,0,0]=4 471 B11R0.72 CCOCC(O)CN(CC)CC MCULE-1691780322 [0,1,0,0,0,1|2,0,0]=4 472 B11R0.136 CCCC(CC)CC(CC)CO MCULE-5688091948 [0,1,0,0,0,1|1,0,0]=3 473 B11R0.182 CCOC(C)O[C@@H](CO)CCO MCULE-3574229826 [0,1,0,0,0,1|2,0,0]=4 474 B11R0.182 CCOC(C)O[C@H](CO)CCO MCULE-2608976184 [0,1,0,0,0,1|2,0,0]=4 475 B11R0.182 CCOC(C)O[C@H](CO)CCO MCULE-7789379951 [0,1,0,0,0,1|2,0,0]=4 476 B11R0.96 CCOC(OCC)C(CC)CC MCULE-6991357822 [0,2,0,0,0,0|2,0,0]=4 477 B11R0.61 CCCC(C)C(OCC)OCC MCULE-2345187445 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.3 C1(CCNC(C1C)C)O MCULE-7157710103 [1,0,0,1,0,0|1,0,0]=3 479 B9R1.3 C1(CCNC(C1C)C)O MCULE-8288554330 [1,0,0,1,0,0|1,0,0]=3 480 B9R1.3 CC1=C(C(CCC1)O)C MCULE-7202234917 [1,0,0,1,0,0|0,0,2]=4 481 B9R1.3 CC1C(CCCN1C)N MCULE-8069613594 [1,0,0,1,0,0|2,0,0]=4 482 B9R1.3 CC1CCCC(=O)C1C MCULE-1705022712 [1,0,0,1,0,0|0,0,2]=4 483 B9R1.3 CC1CCCC(C1C)C MCULE-9375072995 [1,0,0,1,0,0|1,0,0]=3 484 B9R1.3 CC1CCCC(C1C)N MCULE-7085283833 [1,0,0,1,0,0|1,0,0]=3 485 B9R1.3 CC1CCCC(C1C)O MCULE-1285216829 [1,0,0,1,0,0|0,0,0]=2 486 B9R1.3 CC1CCCC(C1N)C MCULE-4904455493 [1,0,0,1,0,0|2,0,0]=4 487 B9R1.3 CC1CCCC(C1N)C MCULE-9589109711 [1,0,0,1,0,0|2,0,0]=4 488 B9R1.3 CC1CCCC(C1O)C MCULE-8568932421 [1,0,0,1,0,0|1,0,0]=3 489 B9R1.3 CC1CNCC(C1O)C MCULE-6809685999 [1,0,0,1,0,0|2,0,0]=4 490 B9R1.3 CC1CNCC(C1O)C MCULE-8043720997 [1,0,0,1,0,0|2,0,0]=4 491 B9R1.3 CC1OCCC(C1O)O MCULE-6494583965 [1,0,0,1,0,0|1,0,0]=3 492 B9R1.3 C[C@@H]1CNC[C@@H]([C@@H]1O)O MCULE-4065345114 [1,0,0,1,0,0|1,0,0]=3 493 B9R1.3 C[C@@H]1CNC[C@@H]([C@@H]1O)O MCULE-5732596905 [1,0,0,1,0,0|1,0,0]=3 494 B9R1.3 C[C@H]1CNC[C@@H]([C@@H]1O)O MCULE-3640440568 [1,0,0,1,0,0|1,0,0]=3 495 B9R1.3 C[C@H]1CNC[C@@H]([C@@H]1O)O MCULE-9501528896 [1,0,0,1,0,0|1,0,0]=3 496 B9R1.3 NC1C(CCCC1O)O MCULE-1978359416 [1,0,0,1,0,0|1,0,0]=3 497 B9R1.3 N[C@@H]1CCC[C@H]([C@@H]1O)O MCULE-7294484287 [1,0,0,1,0,0|1,0,0]=3 498 B9R1.3 N[C@H]1CCC[C@@H]([C@@H]1O)O MCULE-4901407173 [1,0,0,1,0,0|1,0,0]=3 499 B9R1.3 N[C@H]1CCC[C@H]([C@@H]1O)O MCULE-2706489441 [1,0,0,1,0,0|1,0,0]=3 500 B9R1.3 OC1CCCC(C1O)O MCULE-2835511427 [1,0,0,1,0,0|1,0,0]=3 501 B9R1.3 [C@@H]1(CCC[C@H]([C@@H]1N)O)O MCULE-9327450801 [1,0,0,1,0,0|1,0,0]=3 502 B9R1.5 BrC1CCCCCC1Br MCULE-2183687656 [1,0,0,1,0,0|2,0,0]=4 503 B9R1.5 CC1CCCCCC1=O MCULE-3737709008 [1,0,0,1,0,0|0,0,2]=4 504 B9R1.5 CC1CCCCCC1N MCULE-5854491023 [1,0,0,1,0,0|1,0,0]=3 505 B9R1.5 CC1CCCNCC1C MCULE-3413141564 [1,0,0,1,0,0|2,0,0]=4 506 B9R1.5 CC1CCCNCC1C MCULE-6316766408 [1,0,0,1,0,0|2,0,0]=4 507 B9R1.5 CC1CCNCCC1O MCULE-2014482309 [1,0,0,1,0,0|1,0,0]=3 508 B9R1.5 CC1CCNCCC1O MCULE-7020970444 [1,0,0,1,0,0|1,0,0]=3 509 B9R1.5 CC1CNCCCC1O MCULE-7042298511 [1,0,0,1,0,0|1,0,0]=3 510 B9R1.5 CC1CNCCCC1O MCULE-8658161534 [1,0,0,1,0,0|1,0,0]=3 511 B9R1.5 NC1CCCCCC1O MCULE-8315023618 [1,0,0,1,0,0|1,0,0]=3 512 B9R1.5 N[C@@H]1CCCCC[C@@H]1O MCULE-2063759577 [1,0,0,1,0,0|1,0,0]=3 513 B9R1.5 N[C@@H]1CCCCC[C@@H]1O MCULE-8213087274 [1,0,0,1,0,0|1,0,0]=3 514 B9R1.5 N[C@@H]1CCCCC[C@H]1O MCULE-5613622981 [1,0,0,1,0,0|1,0,0]=3 515 B9R1.5 N[C@H]1CCCCC[C@@H]1O MCULE-6991711117 [1,0,0,1,0,0|1,0,0]=3 516 B9R1.5 N[C@H]1CCCCC[C@H]1N MCULE-4838437415 [1,0,0,1,0,0|2,0,0]=4 517 B9R1.5 N[C@H]1CCCCC[C@H]1N MCULE-9986210496 [1,0,0,1,0,0|2,0,0]=4 518 B9R1.5 N[C@H]1CCCCC[C@H]1O MCULE-2920839467 [1,0,0,1,0,0|1,0,0]=3 519 B9R1.5 N[C@H]1CCCCC[C@H]1O MCULE-2969566133 [1,0,0,1,0,0|1,0,0]=3 520 B9R1.5 O=C1CCCCCC1O MCULE-1763055677 [1,0,0,1,0,0|0,0,2]=4 521 B9R1.5 OC1CCCCCC1O MCULE-7682077273 [1,0,0,1,0,0|0,0,0]=2 522 B9R1.5 OC1CCNCCC1F MCULE-6523954631 [1,0,0,1,0,0|2,0,0]=4 523 B9R1.5 OC1CCNCCC1F MCULE-9888134998 [1,0,0,1,0,0|2,0,0]=4 524 B9R1.5 OC1CNCCCC1F MCULE-3253307740 [1,0,0,1,0,0|2,0,0]=4 525 B9R1.5 OC1CNCCCC1F MCULE-9432299615 [1,0,0,1,0,0|2,0,0]=4 526 B9R1.5 O[C@H]1CCCCC[C@@H]1O MCULE-9651607332 [1,0,0,1,0,0|0,0,0]=2 527 B9R1.11 CC(C#N)C1CCCO1 MCULE-5098650494 [1,0,0,1,0,0|1,0,1]=4 528 B9R1.11 CC(CBr)C1CCCC1 MCULE-7239123079 [1,0,0,1,0,0|2,0,0]=4 529 B9R1.11 CC(CO)N1CCCC1 MCULE-2818984547 [1,0,0,1,0,0|2,0,0]=4 530 B9R1.11 CCC(C)C1CCCN1 MCULE-6263276107 [1,0,0,1,0,0|1,0,0]=3 531 B9R1.11 CCC(C)C1CCNC1 MCULE-1019713366 [1,0,0,1,0,0|2,0,0]=4 532 B9R1.11 CCC(N)C1CCCC1 MCULE-2018376160 [1,0,0,1,0,0|2,0,0]=4 533 B9R1.11 CCC(N)C1CCCO1 MCULE-7946594021 [1,0,0,1,0,0|1,0,0]=3 534 B9R1.11 C[C@@H](CO)N1CCCC1 MCULE-3412759469 [1,0,0,1,0,0|2,0,0]=4 535 B9R1.11 C[C@H](CO)N1CCCC1 MCULE-3282668740 [1,0,0,1,0,0|2,0,0]=4 536 B9R1.11 NC(CO)C1CCCC1 MCULE-3542083676 [1,0,0,1,0,0|2,0,0]=4 537 B9R1.11 NC(CO)C1CCCC1 MCULE-5931245443 [1,0,0,1,0,0|2,0,0]=4 538 B9R1.11 NC(CO)C1CCCO1 MCULE-1115414738 [1,0,0,1,0,0|1,0,0]=3 539 B9R1.11 NCC(O)C1CCCC1 MCULE-1826088467 [1,0,0,1,0,0|2,0,0]=4 540 B9R1.11 NCC(O)C1CCCC1 MCULE-5186127631 [1,0,0,1,0,0|2,0,0]=4 541 B9R1.11 NCC(O)C1CCCO1 MCULE-1674634827 [1,0,0,1,0,0|1,0,0]=3 542 B9R1.11 N[C@H](CO)C1CCCC1 MCULE-1672080667 [1,0,0,1,0,0|2,0,0]=4 543 B9R1.11 N[C@H](CO)C1CCCC1 MCULE-2468572391 [1,0,0,1,0,0|2,0,0]=4 544 B9R1.11 N[C@H](CO)C1CCCC1 MCULE-9200212417 [1,0,0,1,0,0|2,0,0]=4 545 B9R1.15 C#CC1CCCCC1O MCULE-6683374669 [1,0,0,1,0,0|0,0,2]=4 546 B9R1.15 C=CC1CCCCC1O MCULE-8134168493 [1,0,0,1,0,0|0,0,2]=4 547 B9R1.15 CC1CCCCC1CBr MCULE-8034060072 [1,0,0,1,0,0|2,0,0]=4 548 B9R1.15 CC1CCCCC1CN MCULE-2749107040 [1,0,0,1,0,0|2,0,0]=4 549 B9R1.15 CC1CCCNC1CO MCULE-4408087733 [1,0,0,1,0,0|2,0,0]=4 550 B9R1.15 CC1CCNCC1CO MCULE-7653018616 [1,0,0,1,0,0|2,0,0]=4 551 B9R1.15 CC1NCCCC1CO MCULE-2033869519 [1,0,0,1,0,0|2,0,0]=4 552 B9R1.15 CCC1CCCCC1=O MCULE-2493543558 [1,0,0,1,0,0|0,0,2]=4 553 B9R1.15 CCC1CCCCC1Br MCULE-1178311442 [1,0,0,1,0,0|1,0,0]=3 554 B9R1.15 CCC1CCCCC1C MCULE-1792942786 [1,0,0,1,0,0|1,0,0]=3 555 B9R1.15 CCC1CCCCC1N MCULE-3637799906 [1,0,0,1,0,0|1,0,0]=3 556 B9R1.15 CCC1CCCCC1O MCULE-7514335194 [1,0,0,1,0,0|0,0,0]=2 557 B9R1.15 CCC1COCCC1N MCULE-9616117607 [1,0,0,1,0,0|2,0,0]=4 558 B9R1.15 CCC1COCCC1O MCULE-9521346817 [1,0,0,1,0,0|1,0,0]=3 559 B9R1.15 CN1CCCCC1CO MCULE-6705032794 [1,0,0,1,0,0|2,0,0]=4 560 B9R1.15 CN1CCCCC1CO MCULE-7433359891 [1,0,0,1,0,0|2,0,0]=4 561 B9R1.15 CN1CCCC[C@@H]1CO MCULE-4169808027 [1,0,0,1,0,0|2,0,0]=4 562 B9R1.15 CN1CCCC[C@@H]1CO MCULE-5806828736 [1,0,0,1,0,0|2,0,0]=4 563 B9R1.15 CN1CCCC[C@H]1CO MCULE-5720351306 [1,0,0,1,0,0|2,0,0]=4 564 B9R1.15 CN1CCCC[C@H]1CO MCULE-6512254506 [1,0,0,1,0,0|2,0,0]=4 565 B9R1.15 CNC1CCCCC1C MCULE-2012338656 [1,0,0,1,0,0|2,0,0]=4 566 B9R1.15 CNC1CCCCC1C MCULE-4226953987 [1,0,0,1,0,0|2,0,0]=4 567 B9R1.15 CNC1CCCCC1O MCULE-4436069957 [1,0,0,1,0,0|1,0,0]=3 568 B9R1.15 CNC1CCCCC1O MCULE-5405173336 [1,0,0,1,0,0|1,0,0]=3 569 B9R1.15 CN[C@@H]1CCCC[C@@H]1C MCULE-5411502617 [1,0,0,1,0,0|2,0,0]=4 570 B9R1.15 CN[C@@H]1CCCC[C@@H]1O MCULE-1137921028 [1,0,0,1,0,0|1,0,0]=3 571 B9R1.15 CN[C@@H]1CCCC[C@H]1O MCULE-3605342765 [1,0,0,1,0,0|1,0,0]=3 572 B9R1.15 CN[C@@H]1CCCC[C@H]1O MCULE-5222257369 [1,0,0,1,0,0|1,0,0]=3 573 B9R1.15 CN[C@@H]1CCCC[C@H]1O MCULE-5595138673 [1,0,0,1,0,0|1,0,0]=3 574 B9R1.15 CN[C@@H]1CCCC[C@H]1O MCULE-8677073091 [1,0,0,1,0,0|1,0,0]=3 575 B9R1.15 CN[C@H]1CCCC[C@@H]1O MCULE-1707284588 [1,0,0,1,0,0|1,0,0]=3 576 B9R1.15 CN[C@H]1CCCC[C@@H]1O MCULE-2780832664 [1,0,0,1,0,0|1,0,0]=3 577 B9R1.15 CN[C@H]1CCCC[C@@H]1O MCULE-5064297221 [1,0,0,1,0,0|1,0,0]=3 578 B9R1.15 CN[C@H]1CCCC[C@H]1C MCULE-9095592965 [1,0,0,1,0,0|2,0,0]=4 579 B9R1.15 CN[C@H]1CCCC[C@H]1O MCULE-1705616364 [1,0,0,1,0,0|1,0,0]=3 580 B9R1.15 CN[C@H]1CCCC[C@H]1O MCULE-9104661315 [1,0,0,1,0,0|1,0,0]=3 581 B9R1.15 COC1CCCCC1N MCULE-1737804569 [1,0,0,1,0,0|2,0,0]=4 582 B9R1.15 COC1CCCCC1N MCULE-2194963487 [1,0,0,1,0,0|2,0,0]=4 583 B9R1.15 COC1CCCCC1O MCULE-9502513295 [1,0,0,1,0,0|1,0,0]=3 584 B9R1.15 COC1CCNCC1O MCULE-4844568872 [1,0,0,1,0,0|2,0,0]=4 585 B9R1.15 COC1CCNCC1O MCULE-5658669344 [1,0,0,1,0,0|2,0,0]=4 586 B9R1.15 COC1COCCC1O MCULE-4002896267 [1,0,0,1,0,0|2,0,0]=4 587 B9R1.15 CO[C@@H]1CCCC[C@@H]1N MCULE-1989542198 [1,0,0,1,0,0|2,0,0]=4 588 B9R1.15 CO[C@@H]1CCCC[C@@H]1N MCULE-6852448083 [1,0,0,1,0,0|2,0,0]=4 589 B9R1.15 CO[C@@H]1CCCC[C@H]1Br MCULE-6359637259 [1,0,0,1,0,0|2,0,0]=4 590 B9R1.15 CO[C@@H]1CCCC[C@H]1I MCULE-4229510302 [1,0,0,1,0,0|2,0,0]=4 591 B9R1.15 CO[C@@H]1CCCC[C@H]1N MCULE-2893854338 [1,0,0,1,0,0|2,0,0]=4 592 B9R1.15 CO[C@@H]1CCCC[C@H]1N MCULE-9329529471 [1,0,0,1,0,0|2,0,0]=4 593 B9R1.15 CO[C@@H]1CCNC[C@@H]1O MCULE-1786216428 [1,0,0,1,0,0|2,0,0]=4 594 B9R1.15 CO[C@@H]1CCNC[C@@H]1O MCULE-5747785572 [1,0,0,1,0,0|2,0,0]=4 595 B9R1.15 CO[C@@H]1CCNC[C@@H]1O MCULE-8933003557 [1,0,0,1,0,0|2,0,0]=4 596 B9R1.15 CO[C@@H]1CCNC[C@@H]1O MCULE-9963782997 [1,0,0,1,0,0|2,0,0]=4 597 B9R1.15 CO[C@H]1CCCC[C@@H]1N MCULE-2586194317 [1,0,0,1,0,0|2,0,0]=4 598 B9R1.15 CO[C@H]1CCCC[C@@H]1N MCULE-3721985129 [1,0,0,1,0,0|2,0,0]=4 599 B9R1.15 CO[C@H]1CCCC[C@@H]1N MCULE-5933697798 [1,0,0,1,0,0|2,0,0]=4 600 B9R1.15 CO[C@H]1CCCC[C@@H]1N MCULE-8173559541 [1,0,0,1,0,0|2,0,0]=4 601 B9R1.15 CO[C@H]1CCCC[C@@H]1O MCULE-5178021878 [1,0,0,1,0,0|1,0,0]=3 602 B9R1.15 CO[C@H]1CCCC[C@H]1N MCULE-1897256905 [1,0,0,1,0,0|2,0,0]=4 603 B9R1.15 CO[C@H]1CCCC[C@H]1N MCULE-2520513048 [1,0,0,1,0,0|2,0,0]=4 604 B9R1.15 CO[C@H]1CCNC[C@@H]1O MCULE-6153348705 [1,0,0,1,0,0|2,0,0]=4 605 B9R1.15 CO[C@H]1CCNC[C@@H]1O MCULE-8285848321 [1,0,0,1,0,0|2,0,0]=4 606 B9R1.15 CO[C@H]1CCNC[C@@H]1O MCULE-8316883665 [1,0,0,1,0,0|2,0,0]=4 607 B9R1.15 CO[C@H]1CCNC[C@@H]1O MCULE-8980786259 [1,0,0,1,0,0|2,0,0]=4 608 B9R1.15 CSC1CCCCC1O MCULE-1801870498 [1,0,0,1,0,0|1,0,0]=3 609 B9R1.15 C[C@H]1CCCN[C@@H]1CO MCULE-1290896647 [1,0,0,1,0,0|2,0,0]=4 610 B9R1.15 C[C@H]1CCCN[C@@H]1CO MCULE-3602411590 [1,0,0,1,0,0|2,0,0]=4 611 B9R1.15 C[C@H]1NCCC[C@H]1CO MCULE-6295458608 [1,0,0,1,0,0|2,0,0]=4 612 B9R1.15 N#CC1CCCCC1O MCULE-6629804837 [1,0,0,1,0,0|1,0,1]=4 613 B9R1.15 N#C[C@@H]1CCCC[C@H]1O MCULE-4635617312 [1,0,0,1,0,0|1,0,1]=4 614 B9R1.15 NC1CCCCC1CO MCULE-5262753422 [1,0,0,1,0,0|1,0,0]=3 615 B9R1.15 NC1CCCCC1CO MCULE-9191988425 [1,0,0,1,0,0|1,0,0]=3 616 B9R1.15 NC1CCOCC1CO MCULE-7912086901 [1,0,0,1,0,0|2,0,0]=4 617 B9R1.15 NC1COCCC1CO MCULE-3392980000 [1,0,0,1,0,0|2,0,0]=4 618 B9R1.15 NC1COCCC1CO MCULE-8617350186 [1,0,0,1,0,0|2,0,0]=4 619 B9R1.15 NCC1CCCCC1F MCULE-5222863833 [1,0,0,1,0,0|2,0,0]=4 620 B9R1.15 NCC1CCCCC1F MCULE-5775855535 [1,0,0,1,0,0|2,0,0]=4 621 B9R1.15 NCC1CCCCC1N MCULE-1706815858 [1,0,0,1,0,0|2,0,0]=4 622 B9R1.15 NCC1CCCCC1N MCULE-4873726709 [1,0,0,1,0,0|2,0,0]=4 623 B9R1.15 NCC1CCCCC1O MCULE-3106014100 [1,0,0,1,0,0|1,0,0]=3 624 B9R1.15 NCC1CCNCC1O MCULE-3055394995 [1,0,0,1,0,0|2,0,0]=4 625 B9R1.15 NCC1CCNCC1O MCULE-6224685083 [1,0,0,1,0,0|2,0,0]=4 626 B9R1.15 NC[C@@H]1CCNC[C@@H]1O MCULE-2628011610 [1,0,0,1,0,0|2,0,0]=4 627 B9R1.15 NC[C@@H]1CCNC[C@@H]1O MCULE-4130182685 [1,0,0,1,0,0|2,0,0]=4 628 B9R1.15 NC[C@@H]1CCNC[C@@H]1O MCULE-4171309495 [1,0,0,1,0,0|2,0,0]=4 629 B9R1.15 NC[C@@H]1CCNC[C@@H]1O MCULE-9652322332 [1,0,0,1,0,0|2,0,0]=4 630 B9R1.15 NC[C@@H]1CCNC[C@H]1O MCULE-2431660086 [1,0,0,1,0,0|2,0,0]=4 631 B9R1.15 NC[C@@H]1CCNC[C@H]1O MCULE-5301710683 [1,0,0,1,0,0|2,0,0]=4 632 B9R1.15 NC[C@H]1CCCC[C@@H]1O MCULE-1443897301 [1,0,0,1,0,0|1,0,0]=3 633 B9R1.15 NC[C@H]1CCCC[C@@H]1O MCULE-4382665718 [1,0,0,1,0,0|1,0,0]=3 634 B9R1.15 NC[C@H]1CCNC[C@@H]1O MCULE-7451941473 [1,0,0,1,0,0|2,0,0]=4 635 B9R1.15 NC[C@H]1CCNC[C@@H]1O MCULE-8077996531 [1,0,0,1,0,0|2,0,0]=4 636 B9R1.15 NNC1CCCCC1O MCULE-1144773369 [1,0,0,1,0,0|2,0,0]=4 637 B9R1.15 NNC1CCCCC1O MCULE-8337335745 [1,0,0,1,0,0|2,0,0]=4 638 B9R1.15 NN[C@@H]1CCCC[C@H]1O MCULE-1480471068 [1,0,0,1,0,0|2,0,0]=4 639 B9R1.15 NN[C@@H]1CCCC[C@H]1O MCULE-3427466844 [1,0,0,1,0,0|2,0,0]=4 640 B9R1.15 NN[C@@H]1CCCC[C@H]1O MCULE-3752922997 [1,0,0,1,0,0|2,0,0]=4 641 B9R1.15 NN[C@@H]1CCCC[C@H]1O MCULE-4432854577 [1,0,0,1,0,0|2,0,0]=4 642 B9R1.15 NN[C@H]1CCCC[C@@H]1O MCULE-4369531684 [1,0,0,1,0,0|2,0,0]=4 643 B9R1.15 N[C@@H]1CCCC[C@@H]1CO MCULE-2333094825 [1,0,0,1,0,0|1,0,0]=3 644 B9R1.15 N[C@@H]1CCCC[C@@H]1CO MCULE-6100111885 [1,0,0,1,0,0|1,0,0]=3 645 B9R1.15 N[C@@H]1CCCC[C@H]1CO MCULE-2541489944 [1,0,0,1,0,0|1,0,0]=3 646 B9R1.15 N[C@@H]1CCCC[C@H]1CO MCULE-4358798149 [1,0,0,1,0,0|1,0,0]=3 647 B9R1.15 N[C@@H]1CCCC[C@H]1CO MCULE-6886498483 [1,0,0,1,0,0|1,0,0]=3 648 B9R1.15 N[C@@H]1CCCC[C@H]1CO MCULE-9434700277 [1,0,0,1,0,0|1,0,0]=3 649 B9R1.15 N[C@H]1CCCC[C@H]1CO MCULE-7191404876 [1,0,0,1,0,0|1,0,0]=3 650 B9R1.15 N[C@H]1CCCC[C@H]1CO MCULE-8159159865 [1,0,0,1,0,0|1,0,0]=3 651 B9R1.15 N[C@H]1COCC[C@H]1CO MCULE-5880045699 [1,0,0,1,0,0|2,0,0]=4 652 B9R1.15 N[C@H]1COCC[C@H]1CO MCULE-8504787876 [1,0,0,1,0,0|2,0,0]=4 653 B9R1.15 O=C1CCCCC1CO MCULE-1345678838 [1,0,0,1,0,0|0,0,2]=4 654 B9R1.15 OC1CCCCC1CBr MCULE-3516289492 [1,0,0,1,0,0|1,0,0]=3 655 B9R1.15 OCC1CCCCC1O MCULE-1945714569 [1,0,0,1,0,0|0,0,0]=2 656 B9R1.15 OCC1CCNCC1F MCULE-2928396204 [1,0,0,1,0,0|2,0,0]=4 657 B9R1.15 OCC1CCNCC1F MCULE-4498079199 [1,0,0,1,0,0|2,0,0]=4 658 B9R1.15 OCC1CCNCC1O MCULE-7571515188 [1,0,0,1,0,0|1,0,0]=3 659 B9R1.15 OCC1CCNCC1O MCULE-8029631005 [1,0,0,1,0,0|1,0,0]=3 660 B9R1.15 OCC1CNCCC1O MCULE-1394638729 [1,0,0,1,0,0|1,0,0]=3 661 B9R1.15 OCC1CNCCC1O MCULE-3316949664 [1,0,0,1,0,0|1,0,0]=3 662 B9R1.15 OCC1NCCCC1O MCULE-4567185313 [1,0,0,1,0,0|1,0,0]=3 663 B9R1.15 OCC1NCCCC1O MCULE-6603271501 [1,0,0,1,0,0|1,0,0]=3 664 B9R1.15 OC[C@@H]1CCNC[C@@H]1F MCULE-2280671949 [1,0,0,1,0,0|2,0,0]=4 665 B9R1.15 OC[C@@H]1CCNC[C@@H]1F MCULE-5182685629 [1,0,0,1,0,0|2,0,0]=4 666 B9R1.15 OC[C@@H]1CCNC[C@@H]1F MCULE-6426816664 [1,0,0,1,0,0|2,0,0]=4 667 B9R1.15 OC[C@@H]1CCNC[C@@H]1F MCULE-6911928107 [1,0,0,1,0,0|2,0,0]=4 668 B9R1.15 OC[C@@H]1CCNC[C@@H]1F MCULE-7067705943 [1,0,0,1,0,0|2,0,0]=4 669 B9R1.15 OC[C@@H]1CCNC[C@@H]1O MCULE-3094062800 [1,0,0,1,0,0|1,0,0]=3 670 B9R1.15 OC[C@@H]1CCNC[C@@H]1O MCULE-6303448234 [1,0,0,1,0,0|1,0,0]=3 671 B9R1.15 OC[C@@H]1CCNC[C@@H]1O MCULE-6793824447 [1,0,0,1,0,0|1,0,0]=3 672 B9R1.15 OC[C@@H]1CCNC[C@@H]1O MCULE-9672123449 [1,0,0,1,0,0|1,0,0]=3 673 B9R1.15 OC[C@@H]1CCNC[C@H]1O MCULE-2277053036 [1,0,0,1,0,0|1,0,0]=3 674 B9R1.15 OC[C@@H]1CCNC[C@H]1O MCULE-4840185571 [1,0,0,1,0,0|1,0,0]=3 675 B9R1.15 OC[C@H]1CCNC[C@@H]1O MCULE-1589442124 [1,0,0,1,0,0|1,0,0]=3 676 B9R1.15 OC[C@H]1CCNC[C@@H]1O MCULE-5378098662 [1,0,0,1,0,0|1,0,0]=3 677 B9R1.15 OC[C@H]1CCNC[C@@H]1O MCULE-5907126780 [1,0,0,1,0,0|1,0,0]=3 678 B9R1.15 OC[C@H]1CCNC[C@@H]1O MCULE-6675818472 [1,0,0,1,0,0|1,0,0]=3 679 B9R1.15 OC[C@H]1CCNC[C@H]1F MCULE-3084007189 [1,0,0,1,0,0|2,0,0]=4 680 B9R1.15 OC[C@H]1CCNC[C@H]1F MCULE-6039491253 [1,0,0,1,0,0|2,0,0]=4 681 B9R1.15 OC[C@H]1CCNC[C@H]1F MCULE-6077710469 [1,0,0,1,0,0|2,0,0]=4 682 B9R1.15 OC[C@H]1CCNC[C@H]1F MCULE-7212928624 [1,0,0,1,0,0|2,0,0]=4 683 B9R1.15 OC[C@H]1CCNC[C@H]1F MCULE-8482961967 [1,0,0,1,0,0|2,0,0]=4 684 B9R1.15 OC[C@H]1CCNC[C@H]1O MCULE-1138683406 [1,0,0,1,0,0|1,0,0]=3 685 B9R1.15 OC[C@H]1CCNC[C@H]1O MCULE-2009456098 [1,0,0,1,0,0|1,0,0]=3 686 B9R1.15 OC[C@H]1CCNC[C@H]1O MCULE-6847756490 [1,0,0,1,0,0|1,0,0]=3 687 B9R1.15 OC[C@H]1CCNC[C@H]1O MCULE-8689272206 [1,0,0,1,0,0|1,0,0]=3 688 B9R1.15 OC[C@H]1CNCC[C@H]1O MCULE-1702794715 [1,0,0,1,0,0|1,0,0]=3 689 B9R1.15 OC[C@H]1CNCC[C@H]1O MCULE-9636833446 [1,0,0,1,0,0|1,0,0]=3 690 B9R1.15 [C@H]1(CNCC[C@H]1CN)O MCULE-2780379872 [1,0,0,1,0,0|2,0,0]=4 691 B9R1.15 [C@H]1(CNCC[C@H]1CN)O MCULE-6533831464 [1,0,0,1,0,0|2,0,0]=4 692 B9R1.15 [C@H]1(CNCC[C@H]1CO)O MCULE-6865852051 [1,0,0,1,0,0|1,0,0]=3 693 B9R1.22 CNC1CN(CC1O)C MCULE-1283937884 [1,0,0,1,0,0|2,0,0]=4 694 B9R1.22 CNC1CN(CC1O)C MCULE-7843239035 [1,0,0,1,0,0|2,0,0]=4 695 B9R1.22 CN[C@H]1CN(C[C@@H]1O)C MCULE-2653192231 [1,0,0,1,0,0|2,0,0]=4 696 B9R1.22 CN[C@H]1CN(C[C@@H]1O)C MCULE-3885612406 [1,0,0,1,0,0|2,0,0]=4 697 B9R1.22 CN[C@H]1CN(C[C@@H]1O)C MCULE-4240011170 [1,0,0,1,0,0|2,0,0]=4 698 B9R1.22 CN[C@H]1CN(C[C@@H]1O)C MCULE-9118580946 [1,0,0,1,0,0|2,0,0]=4 699 B9R1.22 COC1CN(CC1O)C MCULE-4155085837 [1,0,0,1,0,0|2,0,0]=4 700 B9R1.22 CO[C@@H]1CN(C[C@H]1O)C MCULE-3895953437 [1,0,0,1,0,0|2,0,0]=4 701 B9R1.22 CO[C@@H]1CN(C[C@H]1O)C MCULE-6064873511 [1,0,0,1,0,0|2,0,0]=4 702 B9R1.22 NC1CC(C(C1)CO)O MCULE-6483016480 [1,0,0,1,0,0|1,0,0]=3 703 B9R1.22 NC1CC(C(C1)CO)O MCULE-7351789396 [1,0,0,1,0,0|1,0,0]=3 704 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-1625502283 [1,0,0,1,0,0|1,0,0]=3 705 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-2916623249 [1,0,0,1,0,0|1,0,0]=3 706 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-3265275024 [1,0,0,1,0,0|1,0,0]=3 707 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-5953198671 [1,0,0,1,0,0|1,0,0]=3 708 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-6935436356 [1,0,0,1,0,0|1,0,0]=3 709 B9R1.22 N[C@H]1C[C@@H]([C@@H](C1)CO)O MCULE-8122722811 [1,0,0,1,0,0|1,0,0]=3 710 B9R1.22 OCC1OC(CC1O)O MCULE-1321369472 [1,0,0,1,0,0|2,0,0]=4 711 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-2396008864 [1,0,0,1,0,0|2,0,0]=4 712 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-3186725991 [1,0,0,1,0,0|2,0,0]=4 713 B9R1.22 OC[C@@H]1OC(C[C@H]1O)O MCULE-8127322430 [1,0,0,1,0,0|2,0,0]=4 714 B9R1.22 OC[C@H]1OC(C[C@@H]1O)O MCULE-5678157789 [1,0,0,1,0,0|2,0,0]=4 715 B9R1.33 CC1CCCC1CCO MCULE-1752596263 [1,0,0,1,0,0|2,0,0]=4 716 B9R1.33 CNCC1CCCC1O MCULE-1707127587 [1,0,0,1,0,0|2,0,0]=4 717 B9R1.33 OCCC1CCCC1O MCULE-2038693822 [1,0,0,1,0,0|2,0,0]=4 718 B9R1.37 CC1OC(C(C1O)O)O MCULE-7774087123 [1,0,0,1,0,0|2,0,0]=4 719 B9R1.37 N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)O MCULE-7192019909 [1,0,0,1,0,0|2,0,0]=4 720 B9R1.37 N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)O MCULE-9128030642 [1,0,0,1,0,0|2,0,0]=4 721 B9R1.69 CC1CC(C(CN1)C)O MCULE-4236165208 [1,0,0,1,0,0|1,0,0]=3 722 B9R1.69 CC1CC(C(CN1)C)O MCULE-4276808995 [1,0,0,1,0,0|1,0,0]=3 723 B9R1.69 CC1CC(C(CN1)C)O MCULE-7662096159 [1,0,0,1,0,0|1,0,0]=3 724 B9R1.69 CC1CC(CCC1O)N MCULE-2064143098 [1,0,0,1,0,0|2,0,0]=4 725 B9R1.69 CC1CCC(C(=O)C1)C MCULE-1189470004 [1,0,0,1,0,0|0,0,2]=4 726 B9R1.69 CC1CCC(C(C1)C)C MCULE-8423605383 [1,0,0,1,0,0|1,0,0]=3 727 B9R1.69 CC1CCC(C(C1)C)N MCULE-8155557981 [1,0,0,1,0,0|2,0,0]=4 728 B9R1.69 CC1CCC(C(C1)C)O MCULE-1958135453 [1,0,0,1,0,0|1,0,0]=3 729 B9R1.69 CC1CCC(C(C1)N)C MCULE-3108482020 [1,0,0,1,0,0|1,0,0]=3 730 B9R1.69 CC1CCC(C(C1)N)C MCULE-8540581791 [1,0,0,1,0,0|1,0,0]=3 731 B9R1.69 CC1CCC(C(C1)O)C MCULE-8174479267 [1,0,0,1,0,0|0,0,0]=2 732 B9R1.69 CC1CCC(CC1C)N MCULE-1561023388 [1,0,0,1,0,0|2,0,0]=4 733 B9R1.69 CC1CCC(CC1C)O MCULE-6171532647 [1,0,0,1,0,0|2,0,0]=4 734 B9R1.69 CC1CCC(CC1N)N MCULE-9493089768 [1,0,0,1,0,0|2,0,0]=4 735 B9R1.69 CC1CN(CCC1O)C MCULE-2311637252 [1,0,0,1,0,0|2,0,0]=4 736 B9R1.69 CC1CN(CCC1O)C MCULE-2388697417 [1,0,0,1,0,0|2,0,0]=4 737 B9R1.69 CC1CNC(C(C1)C)C MCULE-6407956484 [1,0,0,1,0,0|2,0,0]=4 738 B9R1.69 CN1CCC(C(C1)N)O MCULE-3391658337 [1,0,0,1,0,0|2,0,0]=4 739 B9R1.69 CN1CCC(C(C1)N)O MCULE-6290719349 [1,0,0,1,0,0|2,0,0]=4 740 B9R1.69 CN1CC[C@@H]([C@H](C1)N)O MCULE-3271450175 [1,0,0,1,0,0|2,0,0]=4 741 B9R1.69 CN1CC[C@@H]([C@H](C1)N)O MCULE-6377414868 [1,0,0,1,0,0|2,0,0]=4 742 B9R1.69 CN1CC[C@H]([C@@H](C1)N)O MCULE-4189507303 [1,0,0,1,0,0|2,0,0]=4 743 B9R1.69 CN1CC[C@H]([C@@H](C1)N)O MCULE-5782034171 [1,0,0,1,0,0|2,0,0]=4 744 B9R1.69 CN1CC[C@H]([C@@H](C1)N)O MCULE-6728779168 [1,0,0,1,0,0|2,0,0]=4 745 B9R1.69 CN1CC[C@H]([C@@H](C1)N)O MCULE-9441385805 [1,0,0,1,0,0|2,0,0]=4 746 B9R1.69 OC1CC(C(CO1)O)O MCULE-3654762746 [1,0,0,1,0,0|2,0,0]=4 747 B9R1.69 OC1C[C@@H]([C@@H](CO1)O)O MCULE-2084054051 [1,0,0,1,0,0|2,0,0]=4 748 B9R1.69 OC1C[C@@H]([C@@H](CO1)O)O MCULE-9105480679 [1,0,0,1,0,0|2,0,0]=4 749 B9R1.69 OC1C[C@H]([C@H](CO1)O)O MCULE-7375065985 [1,0,0,1,0,0|2,0,0]=4 750 B9R1.73 CCCC(=O)C1CCC1 MCULE-2367300877 [1,0,0,1,0,0|0,0,2]=4 751 B9R1.73 CCCC(N)C1CCC1 MCULE-2304710158 [1,0,0,1,0,0|1,0,0]=3 752 B9R1.73 NC(CCO)C1CCC1 MCULE-1474058368 [1,0,0,1,0,0|2,0,0]=4 753 B9R1.73 NC(CCO)C1CCC1 MCULE-1872378337 [1,0,0,1,0,0|2,0,0]=4 754 B9R1.73 NCCC(O)C1CCC1 MCULE-6094534332 [1,0,0,1,0,0|1,0,0]=3 755 B9R1.74 COCC(N)C1(CC1)C MCULE-5939097981 [1,0,0,1,0,0|2,0,0]=4 756 B9R1.74 COCC(O)C1(CC1)N MCULE-8418151970 [1,0,0,1,0,0|2,0,0]=4 757 B9R1.132 OCC1NCC(C1O)O MCULE-7093172739 [1,0,0,1,0,0|2,0,0]=4 758 B9R1.132 OCC1NCC(C1O)O MCULE-9377849443 [1,0,0,1,0,0|2,0,0]=4 759 B9R1.132 OCC1OCC(C1O)O MCULE-6035918255 [1,0,0,1,0,0|2,0,0]=4 760 B9R1.132 OC[C@@H]1OC[C@H]([C@H]1O)O MCULE-5977248366 [1,0,0,1,0,0|2,0,0]=4 761 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O MCULE-1707860323 [1,0,0,1,0,0|2,0,0]=4 762 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O MCULE-3279393618 [1,0,0,1,0,0|2,0,0]=4 763 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O MCULE-8001939489 [1,0,0,1,0,0|2,0,0]=4 764 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O MCULE-9735967120 [1,0,0,1,0,0|2,0,0]=4 765 B9R1.132 OC[C@H]1NC[C@H]([C@@H]1O)O MCULE-2264267716 [1,0,0,1,0,0|2,0,0]=4 766 B9R1.132 OC[C@H]1NC[C@H]([C@@H]1O)O MCULE-3690741497 [1,0,0,1,0,0|2,0,0]=4 767 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O MCULE-1695946114 [1,0,0,1,0,0|2,0,0]=4 768 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O MCULE-4767198765 [1,0,0,1,0,0|2,0,0]=4 769 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O MCULE-7740799111 [1,0,0,1,0,0|2,0,0]=4 770 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O MCULE-9816210484 [1,0,0,1,0,0|2,0,0]=4 771 B9R1.132 OC[C@H]1OC[C@@H]([C@@H]1O)O MCULE-2426542638 [1,0,0,1,0,0|2,0,0]=4 772 B9R1.132 OC[C@H]1OC[C@@H]([C@H]1O)O MCULE-2697830391 [1,0,0,1,0,0|2,0,0]=4 773 B9R1.132 OC[C@H]1OC[C@@H]([C@H]1O)O MCULE-3664631398 [1,0,0,1,0,0|2,0,0]=4 774 B9R1.132 OC[C@H]1SC[C@@H]([C@@H]1O)O MCULE-5460809648 [1,0,0,1,0,0|2,0,0]=4 775 B9R1.202 CC1CCCC1(C)CN MCULE-5501074724 [1,0,0,1,0,0|2,0,0]=4 776 B9R1.202 CC1CCCC1(O)CN MCULE-5192081064 [1,0,0,1,0,0|2,0,0]=4 777 B9R1.202 CC1CNCC1(C)CO MCULE-3212764422 [1,0,0,1,0,0|2,0,0]=4 778 B9R1.202 CC1CNCC1(C)CO MCULE-9218006550 [1,0,0,1,0,0|2,0,0]=4 779 B9R1.202 CCC1(CCCC1=O)C MCULE-6845043548 [1,0,0,1,0,0|0,0,2]=4 780 B9R1.1 C#CC1CCC(CC1)C MCULE-6002923209 [1,0,0,1,0,0|1,0,1]=4 781 B9R1.1 C#C[C@H]1CC[C@@H](CC1)C MCULE-8662769226 [1,0,0,1,0,0|1,0,1]=4 782 B9R1.1 C=C1CCC(CC1)CO MCULE-2073650564 [1,0,0,1,0,0|0,0,2]=4 783 B9R1.1 C=C[C@H]1CC[C@@H](CC1)C MCULE-5121440754 [1,0,0,1,0,0|1,0,1]=4 784 B9R1.1 CC1=CCC(CC1)CO MCULE-6377131123 [1,0,0,1,0,0|0,0,2]=4 785 B9R1.1 CC1CCC(=NO)CC1 MCULE-2071848184 [1,0,0,1,0,0|1,0,1]=4 786 B9R1.1 CC1CCC(CC1)C#N MCULE-7218488709 [1,0,0,1,0,0|1,0,1]=4 787 B9R1.1 CC1CCC(CC1)C=O MCULE-9251304568 [1,0,0,1,0,0|0,0,2]=4 788 B9R1.1 CC1CCC(CC1)CBr MCULE-2379495845 [1,0,0,1,0,0|1,0,0]=3 789 B9R1.1 CC1CCC(CC1)CCl MCULE-5363729041 [1,0,0,1,0,0|1,0,0]=3 790 B9R1.1 CC1CCC(CC1)CN MCULE-3411857424 [1,0,0,1,0,0|1,0,0]=3 791 B9R1.1 CC1CCC(CC1)CN MCULE-7607454957 [1,0,0,1,0,0|1,0,0]=3 792 B9R1.1 CC1CCC(CC1)CO MCULE-4775289633 [1,0,0,1,0,0|0,0,0]=2 793 B9R1.1 CC1CCC(CC1)NN MCULE-1371911581 [1,0,0,1,0,0|2,0,0]=4 794 B9R1.1 CC1CCC(CC1)NN MCULE-8489153821 [1,0,0,1,0,0|2,0,0]=4 795 B9R1.1 CC1CCC(CC1)NN MCULE-9583748825 [1,0,0,1,0,0|2,0,0]=4 796 B9R1.1 CC1CCC(CN1)CO MCULE-4885325889 [1,0,0,1,0,0|1,0,0]=3 797 B9R1.1 CC1CCC(CN1)CO MCULE-7825916156 [1,0,0,1,0,0|1,0,0]=3 798 B9R1.1 CC1CCC(NC1)CO MCULE-3943626768 [1,0,0,1,0,0|1,0,0]=3 799 B9R1.1 CC1CCC(NC1)CO MCULE-6105965267 [1,0,0,1,0,0|1,0,0]=3 800 B9R1.1 CC1CNC(CN1)CO MCULE-1614236035 [1,0,0,1,0,0|2,0,0]=4 801 B9R1.1 CC1CNC(CN1)CO MCULE-5390030755 [1,0,0,1,0,0|2,0,0]=4 802 B9R1.1 CC1CNC(CN1)CO MCULE-9969171906 [1,0,0,1,0,0|2,0,0]=4 803 B9R1.1 CC1COC(CN1)CO MCULE-1554968868 [1,0,0,1,0,0|2,0,0]=4 804 B9R1.1 CCC1CCC(CC1)C MCULE-2653372010 [1,0,0,1,0,0|1,0,0]=3 805 B9R1.1 CCC1CCC(CC1)N MCULE-3699342075 [1,0,0,1,0,0|2,0,0]=4 806 B9R1.1 CCC1CCC(CC1)N MCULE-8941706723 [1,0,0,1,0,0|2,0,0]=4 807 B9R1.1 CCC1CCC(CC1)O MCULE-8097752772 [1,0,0,1,0,0|2,0,0]=4 808 B9R1.1 CCC1CCC(NC1)C MCULE-9037446160 [1,0,0,1,0,0|1,0,0]=3 809 B9R1.1 CCC1CNC(CO1)C MCULE-7865619397 [1,0,0,1,0,0|2,0,0]=4 810 B9R1.1 CCC1COC(CN1)C MCULE-1901675082 [1,0,0,1,0,0|1,0,0]=3 811 B9R1.1 CC[C@H]1CC[C@@H](CC1)N MCULE-4018920391 [1,0,0,1,0,0|2,0,0]=4 812 B9R1.1 CC[C@H]1CC[C@@H](CC1)N MCULE-6650148008 [1,0,0,1,0,0|2,0,0]=4 813 B9R1.1 CC[C@H]1CC[C@@H](CC1)O MCULE-2707983247 [1,0,0,1,0,0|2,0,0]=4 814 B9R1.1 CC[C@H]1CC[C@H](CC1)N MCULE-9970355250 [1,0,0,1,0,0|2,0,0]=4 815 B9R1.1 CC[C@H]1CC[C@H](CC1)O MCULE-2491233696 [1,0,0,1,0,0|2,0,0]=4 816 B9R1.1 CN1CCC(CC1)CBr MCULE-4375627407 [1,0,0,1,0,0|2,0,0]=4 817 B9R1.1 CN1CCC(CC1)CBr MCULE-6782701064 [1,0,0,1,0,0|2,0,0]=4 818 B9R1.1 CN1CCC(CC1)CCl MCULE-7217419443 [1,0,0,1,0,0|2,0,0]=4 819 B9R1.1 CN1CCC(CC1)CCl MCULE-8850036034 [1,0,0,1,0,0|2,0,0]=4 820 B9R1.1 CN1CCC(CC1)CI MCULE-1684357260 [1,0,0,1,0,0|2,0,0]=4 821 B9R1.1 CN1CCC(CC1)CI MCULE-7319733167 [1,0,0,1,0,0|2,0,0]=4 822 B9R1.1 CN1CCC(CC1)CN MCULE-1621603403 [1,0,0,1,0,0|2,0,0]=4 823 B9R1.1 CN1CCC(CC1)CN MCULE-4114525381 [1,0,0,1,0,0|2,0,0]=4 824 B9R1.1 CN1CCC(CC1)CN MCULE-4997268793 [1,0,0,1,0,0|2,0,0]=4 825 B9R1.1 CN1CCC(CC1)CO MCULE-5079962022 [1,0,0,1,0,0|1,0,0]=3 826 B9R1.1 CN1CCC(CC1)CO MCULE-5746614060 [1,0,0,1,0,0|1,0,0]=3 827 B9R1.1 CNC1CCC(CC1)C MCULE-6239587317 [1,0,0,1,0,0|2,0,0]=4 828 B9R1.1 CN[C@H]1CC[C@@H](CC1)C MCULE-7736797442 [1,0,0,1,0,0|2,0,0]=4 829 B9R1.1 CN[C@H]1CC[C@@H](CC1)C MCULE-9400644211 [1,0,0,1,0,0|2,0,0]=4 830 B9R1.1 COC1CCC(CC1)C MCULE-7339052202 [1,0,0,1,0,0|2,0,0]=4 831 B9R1.1 COC1CCC(NC1)C MCULE-9387169751 [1,0,0,1,0,0|2,0,0]=4 832 B9R1.1 C[C@@H]1CC[C@H](CN1)CO MCULE-5971217485 [1,0,0,1,0,0|1,0,0]=3 833 B9R1.1 C[C@@H]1CC[C@H](CN1)CO MCULE-6553308509 [1,0,0,1,0,0|1,0,0]=3 834 B9R1.1 C[C@@H]1CC[C@H](CN1)CO MCULE-8196926230 [1,0,0,1,0,0|1,0,0]=3 835 B9R1.1 C[C@@H]1CN[C@@H](CN1)CO MCULE-1352735683 [1,0,0,1,0,0|2,0,0]=4 836 B9R1.1 C[C@@H]1CN[C@@H](CN1)CO MCULE-9858180760 [1,0,0,1,0,0|2,0,0]=4 837 B9R1.1 C[C@@H]1CN[C@H](CN1)CO MCULE-1821680880 [1,0,0,1,0,0|2,0,0]=4 838 B9R1.1 C[C@@H]1CN[C@H](CN1)CO MCULE-3362911354 [1,0,0,1,0,0|2,0,0]=4 839 B9R1.1 C[C@@H]1CN[C@H](CN1)CO MCULE-5387806502 [1,0,0,1,0,0|2,0,0]=4 840 B9R1.1 C[C@@H]1CN[C@H](CN1)CO MCULE-5622504658 [1,0,0,1,0,0|2,0,0]=4 841 B9R1.1 C[C@@H]1CN[C@H](CN1)CO MCULE-8906918574 [1,0,0,1,0,0|2,0,0]=4 842 B9R1.1 C[C@@H]1CN[C@H](CN1)CO MCULE-9114523826 [1,0,0,1,0,0|2,0,0]=4 843 B9R1.1 C[C@H]1CC[C@@H](CC1)C=O MCULE-9199101836 [1,0,0,1,0,0|0,0,2]=4 844 B9R1.1 C[C@H]1CC[C@@H](CC1)CN MCULE-5700583757 [1,0,0,1,0,0|1,0,0]=3 845 B9R1.1 C[C@H]1CC[C@@H](CC1)CN MCULE-7874906340 [1,0,0,1,0,0|1,0,0]=3 846 B9R1.1 C[C@H]1CC[C@@H](CC1)CO MCULE-1712721816 [1,0,0,1,0,0|0,0,0]=2 847 B9R1.1 C[C@H]1CC[C@H](CC1)CO MCULE-8606500963 [1,0,0,1,0,0|0,0,0]=2 848 B9R1.1 C[C@H]1CC[C@H](CN1)CO MCULE-1261345487 [1,0,0,1,0,0|1,0,0]=3 849 B9R1.1 C[C@H]1CC[C@H](CN1)CO MCULE-5775202289 [1,0,0,1,0,0|1,0,0]=3 850 B9R1.1 C[C@H]1CC[C@H](CN1)CO MCULE-6083345009 [1,0,0,1,0,0|1,0,0]=3 851 B9R1.1 C[C@H]1CC[C@H](CN1)CO MCULE-6509601128 [1,0,0,1,0,0|1,0,0]=3 852 B9R1.1 C[C@H]1CN[C@@H](CN1)CO MCULE-3337276228 [1,0,0,1,0,0|2,0,0]=4 853 B9R1.1 C[C@H]1CN[C@@H](CN1)CO MCULE-4042671077 [1,0,0,1,0,0|2,0,0]=4 854 B9R1.1 C[C@H]1CN[C@@H](CN1)CO MCULE-4706980610 [1,0,0,1,0,0|2,0,0]=4 855 B9R1.1 C[C@H]1CN[C@@H](CN1)CO MCULE-6668546612 [1,0,0,1,0,0|2,0,0]=4 856 B9R1.1 C[C@H]1CN[C@@H](CN1)CO MCULE-7908897272 [1,0,0,1,0,0|2,0,0]=4 857 B9R1.1 FC1CCC(CC1)CBr MCULE-4243908979 [1,0,0,1,0,0|2,0,0]=4 858 B9R1.1 NC1CCC(CC1)CF MCULE-2124685500 [1,0,0,1,0,0|2,0,0]=4 859 B9R1.1 NC1CCC(CC1)CO MCULE-2058020777 [1,0,0,1,0,0|1,0,0]=3 860 B9R1.1 NC1CCC(CC1)CO MCULE-9932194679 [1,0,0,1,0,0|1,0,0]=3 861 B9R1.1 NC1CCC(OC1)CO MCULE-4245301257 [1,0,0,1,0,0|2,0,0]=4 862 B9R1.1 NC1CCC(OC1)CO MCULE-4483575448 [1,0,0,1,0,0|2,0,0]=4 863 B9R1.1 NCC1CCC(CC1)Cl MCULE-9608069479 [1,0,0,1,0,0|2,0,0]=4 864 B9R1.1 NCC1CCC(CC1)F MCULE-1177099319 [1,0,0,1,0,0|2,0,0]=4 865 B9R1.1 NCC1CCC(CC1)F MCULE-9653859754 [1,0,0,1,0,0|2,0,0]=4 866 B9R1.1 NCC1CCC(CC1)N MCULE-1210790144 [1,0,0,1,0,0|2,0,0]=4 867 B9R1.1 NCC1CCC(CC1)O MCULE-1773102107 [1,0,0,1,0,0|2,0,0]=4 868 B9R1.1 NCC1CCC(CC1)O MCULE-3605496824 [1,0,0,1,0,0|2,0,0]=4 869 B9R1.1 NC[C@H]1CC[C@@H](CC1)F MCULE-2467907159 [1,0,0,1,0,0|2,0,0]=4 870 B9R1.1 NC[C@H]1CC[C@@H](CC1)O MCULE-3725371515 [1,0,0,1,0,0|2,0,0]=4 871 B9R1.1 NC[C@H]1CC[C@@H](CC1)O MCULE-3796180406 [1,0,0,1,0,0|2,0,0]=4 872 B9R1.1 NC[C@H]1CC[C@H](CC1)F MCULE-8222856013 [1,0,0,1,0,0|2,0,0]=4 873 B9R1.1 NC[C@H]1CC[C@H](CC1)F MCULE-9650435872 [1,0,0,1,0,0|2,0,0]=4 874 B9R1.1 NC[C@H]1CC[C@H](CC1)O MCULE-6015230551 [1,0,0,1,0,0|2,0,0]=4 875 B9R1.1 NC[C@H]1CC[C@H](CC1)O MCULE-9189660845 [1,0,0,1,0,0|2,0,0]=4 876 B9R1.1 N[C@@H]1CC[C@H](OC1)CO MCULE-5075594203 [1,0,0,1,0,0|2,0,0]=4 877 B9R1.1 N[C@@H]1CC[C@H](OC1)CO MCULE-6987959950 [1,0,0,1,0,0|2,0,0]=4 878 B9R1.1 N[C@H]1CC[C@@H](CC1)CF MCULE-2967312725 [1,0,0,1,0,0|2,0,0]=4 879 B9R1.1 N[C@H]1CC[C@@H](CC1)CF MCULE-3328650442 [1,0,0,1,0,0|2,0,0]=4 880 B9R1.1 N[C@H]1CC[C@@H](CC1)CO MCULE-3217313684 [1,0,0,1,0,0|1,0,0]=3 881 B9R1.1 N[C@H]1CC[C@@H](CC1)CO MCULE-5128673214 [1,0,0,1,0,0|1,0,0]=3 882 B9R1.1 N[C@H]1CC[C@H](CC1)CF MCULE-5060717394 [1,0,0,1,0,0|2,0,0]=4 883 B9R1.1 N[C@H]1CC[C@H](CC1)CF MCULE-5371505978 [1,0,0,1,0,0|2,0,0]=4 884 B9R1.1 N[C@H]1CC[C@H](CC1)CO MCULE-4030751832 [1,0,0,1,0,0|1,0,0]=3 885 B9R1.1 N[C@H]1CC[C@H](CC1)CO MCULE-7261455396 [1,0,0,1,0,0|1,0,0]=3 886 B9R1.1 N[C@H]1CC[C@H](OC1)CO MCULE-2411909324 [1,0,0,1,0,0|2,0,0]=4 887 B9R1.1 O=C1CCC(CC1)CO MCULE-4178685012 [1,0,0,1,0,0|1,0,1]=4 888 B9R1.1 OC1CCC(CC1)CCl MCULE-3310167491 [1,0,0,1,0,0|2,0,0]=4 889 B9R1.1 OCC1CCC(CC1)F MCULE-9846629385 [1,0,0,1,0,0|1,0,0]=3 890 B9R1.1 OCC1CCC(CC1)O MCULE-2821884453 [1,0,0,1,0,0|1,0,0]=3 891 B9R1.1 OCC1CCC(CO1)O MCULE-4333559257 [1,0,0,1,0,0|2,0,0]=4 892 B9R1.1 OC[C@H]1CC[C@@H](CC1)O MCULE-4903112146 [1,0,0,1,0,0|1,0,0]=3 893 B9R1.1 OC[C@H]1CC[C@H](CC1)O MCULE-5364161264 [1,0,0,1,0,0|1,0,0]=3 894 B9R1.1 [C@@H]1(CN[C@@H](CN1)C)CC MCULE-2670537482 [1,0,0,1,0,0|2,0,0]=4 895 B9R1.12 BrCCCC1CCCC1 MCULE-8917652864 [1,0,0,1,0,0|2,0,0]=4 896 B9R1.12 BrCCCC1CCOC1 MCULE-8066690419 [1,0,0,1,0,0|1,0,0]=3 897 B9R1.12 BrCCOC1CCOC1 MCULE-3041238514 [1,0,0,1,0,0|2,0,0]=4 898 B9R1.12 CCCCC1CCCN1 MCULE-1125287156 [1,0,0,1,0,0|2,0,0]=4 899 B9R1.12 CCCCC1CCCN1 MCULE-9488507483 [1,0,0,1,0,0|2,0,0]=4 900 B9R1.12 CCCCC1CCCO1 MCULE-6226220964 [1,0,0,1,0,0|2,0,0]=4 901 B9R1.12 CCCCC1CCNC1 MCULE-3000104007 [1,0,0,1,0,0|1,0,0]=3 902 B9R1.12 CCCCC1CCNC1 MCULE-5937287599 [1,0,0,1,0,0|1,0,0]=3 903 B9R1.12 CCCCN1CCCC1 MCULE-2222043743 [1,0,0,1,0,0|2,0,0]=4 904 B9R1.12 CCCNC1CCCC1 MCULE-1907915360 [1,0,0,1,0,0|2,0,0]=4 905 B9R1.12 CCCNC1CCCC1 MCULE-7444605982 [1,0,0,1,0,0|2,0,0]=4 906 B9R1.12 CCCOC1CCNC1 MCULE-2537216700 [1,0,0,1,0,0|2,0,0]=4 907 B9R1.12 CCCOC1CCNC1 MCULE-4555797423 [1,0,0,1,0,0|2,0,0]=4 908 B9R1.12 CCCO[C@@H]1CCNC1 MCULE-1739671899 [1,0,0,1,0,0|2,0,0]=4 909 B9R1.12 CCCO[C@H]1CCNC1 MCULE-8837532175 [1,0,0,1,0,0|2,0,0]=4 910 B9R1.12 CCNCC1CCCC1 MCULE-7055093528 [1,0,0,1,0,0|2,0,0]=4 911 B9R1.12 CCNCC1CCNC1 MCULE-5303249660 [1,0,0,1,0,0|2,0,0]=4 912 B9R1.12 CCNCC1CCOC1 MCULE-5570173374 [1,0,0,1,0,0|1,0,0]=3 913 B9R1.12 CCNCC1CCOC1 MCULE-6755096868 [1,0,0,1,0,0|1,0,0]=3 914 B9R1.12 CCOCC1CCNC1 MCULE-1287285915 [1,0,0,1,0,0|2,0,0]=4 915 B9R1.12 CCOCC1CCNC1 MCULE-9689180949 [1,0,0,1,0,0|2,0,0]=4 916 B9R1.12 CNCCC1CCCC1 MCULE-1793791278 [1,0,0,1,0,0|2,0,0]=4 917 B9R1.12 CNCCC1CCCC1 MCULE-3968080543 [1,0,0,1,0,0|2,0,0]=4 918 B9R1.12 CNCCC1CCOC1 MCULE-4276743145 [1,0,0,1,0,0|1,0,0]=3 919 B9R1.12 CNCCC1CCOC1 MCULE-5831967563 [1,0,0,1,0,0|1,0,0]=3 920 B9R1.12 COCCC1CCNC1 MCULE-9533277802 [1,0,0,1,0,0|2,0,0]=4 921 B9R1.12 ClCCCC1CCCC1 MCULE-5161283359 [1,0,0,1,0,0|2,0,0]=4 922 B9R1.12 ClCCSC1CCOC1 MCULE-2811911460 [1,0,0,1,0,0|2,0,0]=4 923 B9R1.12 ICCCC1CCCC1 MCULE-3866409284 [1,0,0,1,0,0|2,0,0]=4 924 B9R1.12 NCCCC1CCCC1 MCULE-7501106700 [1,0,0,1,0,0|2,0,0]=4 925 B9R1.12 NCCCC1CCCC1 MCULE-8651093743 [1,0,0,1,0,0|2,0,0]=4 926 B9R1.12 NCCCC1CCOC1 MCULE-2790704688 [1,0,0,1,0,0|1,0,0]=3 927 B9R1.12 NCCCC1CCOC1 MCULE-4180248181 [1,0,0,1,0,0|1,0,0]=3 928 B9R1.12 NCCOC1CCOC1 MCULE-4167519990 [1,0,0,1,0,0|2,0,0]=4 929 B9R1.12 OCCCC1CCCC1 MCULE-9661108637 [1,0,0,1,0,0|2,0,0]=4 930 B9R1.12 OCCCC1CCNC1 MCULE-4410845788 [1,0,0,1,0,0|2,0,0]=4 931 B9R1.12 OCCOC1CCOC1 MCULE-6665065123 [1,0,0,1,0,0|2,0,0]=4 932 B9R1.21 C#CC1CCC(C1)CO MCULE-1991499886 [1,0,0,1,0,0|0,0,2]=4 933 B9R1.21 CCN1CCC(C1)CBr MCULE-1918580849 [1,0,0,1,0,0|2,0,0]=4 934 B9R1.21 CCN1CCC(C1)CBr MCULE-7439537548 [1,0,0,1,0,0|2,0,0]=4 935 B9R1.21 CCN1CCC(C1)CCl MCULE-1182345117 [1,0,0,1,0,0|2,0,0]=4 936 B9R1.21 CCN1CCC(C1)CCl MCULE-1951990523 [1,0,0,1,0,0|2,0,0]=4 937 B9R1.21 CCN1CCC(C1)CN MCULE-7153023715 [1,0,0,1,0,0|2,0,0]=4 938 B9R1.21 CCN1CCC(C1)CN MCULE-7742751613 [1,0,0,1,0,0|2,0,0]=4 939 B9R1.21 CCN1CCC(C1)CO MCULE-9507301668 [1,0,0,1,0,0|1,0,0]=3 940 B9R1.21 CCN1CC[C@@H](C1)CO MCULE-4701790174 [1,0,0,1,0,0|1,0,0]=3 941 B9R1.21 CCN1CC[C@H](C1)CN MCULE-8044865367 [1,0,0,1,0,0|2,0,0]=4 942 B9R1.21 CCN1CC[C@H](C1)CO MCULE-2438276159 [1,0,0,1,0,0|1,0,0]=3 943 B9R1.21 CO[C@H]1CN[C@@H](C1)CO MCULE-2365069332 [1,0,0,1,0,0|2,0,0]=4 944 B9R1.21 OCC1CCC(N1)CO MCULE-1103775354 [1,0,0,1,0,0|2,0,0]=4 945 B9R1.21 OCC1CCC(O1)CO MCULE-3334782559 [1,0,0,1,0,0|2,0,0]=4 946 B9R1.21 OCC1CNC(C1)CO MCULE-7672485489 [1,0,0,1,0,0|2,0,0]=4 947 B9R1.21 OCC1CNC(C1)CO MCULE-7965706550 [1,0,0,1,0,0|2,0,0]=4 948 B9R1.21 OC[C@@H]1CC[C@@H](O1)CO MCULE-5217154467 [1,0,0,1,0,0|2,0,0]=4 949 B9R1.70 COC(CBr)C1CCC1 MCULE-6497400619 [1,0,0,1,0,0|2,0,0]=4 950 B9R1.70 COC(CN)C1CCC1 MCULE-8917947705 [1,0,0,1,0,0|2,0,0]=4 951 B9R1.70 COC(CO)C1CCC1 MCULE-6598157025 [1,0,0,1,0,0|1,0,0]=3 952 B9R1.70 NCC(CO)C1CCC1 MCULE-5699600966 [1,0,0,1,0,0|1,0,0]=3 953 B9R1.70 OCC(CO)C1CCC1 MCULE-1317295718 [1,0,0,1,0,0|1,0,0]=3 954 B9R1.72 CCC(CC)NC1CC1 MCULE-4503266822 [1,0,0,1,0,0|2,0,0]=4 955 B9R1.72 CCC(CC)NC1CC1 MCULE-9803481036 [1,0,0,1,0,0|2,0,0]=4 956 B9R1.72 NCC(CO)CC1CC1 MCULE-2870204877 [1,0,0,1,0,0|1,0,0]=3 957 B9R1.72 NCC(CO)NC1CC1 MCULE-4464199502 [1,0,0,1,0,0|2,0,0]=4 958 B9R1.89 BrCC1CCCCCC1 MCULE-3804149088 [1,0,0,1,0,0|1,0,0]=3 959 B9R1.89 BrCC1COCCOC1 MCULE-6221292036 [1,0,0,1,0,0|2,0,0]=4 960 B9R1.89 C#CC1CCCCCC1 MCULE-7810681377 [1,0,0,1,0,0|1,0,1]=4 961 B9R1.89 CCC1CCCCCN1 MCULE-9043964617 [1,0,0,1,0,0|2,0,0]=4 962 B9R1.89 CCC1CCCNCC1 MCULE-1208066309 [1,0,0,1,0,0|2,0,0]=4 963 B9R1.89 CCC1CNCCCO1 MCULE-5736441757 [1,0,0,1,0,0|2,0,0]=4 964 B9R1.89 CCC1CNCCOC1 MCULE-8196044665 [1,0,0,1,0,0|1,0,0]=3 965 B9R1.89 CCN1CCCCCC1 MCULE-1193924766 [1,0,0,1,0,0|2,0,0]=4 966 B9R1.89 CNC1CCCCCC1 MCULE-3477928342 [1,0,0,1,0,0|2,0,0]=4 967 B9R1.89 CNC1CCCCCC1 MCULE-9182986806 [1,0,0,1,0,0|2,0,0]=4 968 B9R1.89 CNC1CCCCNC1 MCULE-4863452887 [1,0,0,1,0,0|2,0,0]=4 969 B9R1.89 ClCC1CCCCCN1 MCULE-7509075716 [1,0,0,1,0,0|2,0,0]=4 970 B9R1.89 ClCC1CCCCCN1 MCULE-9950332690 [1,0,0,1,0,0|2,0,0]=4 971 B9R1.89 ICC1CCCCCO1 MCULE-8717458528 [1,0,0,1,0,0|2,0,0]=4 972 B9R1.89 N#CC1CCCCCC1 MCULE-4572641162 [1,0,0,1,0,0|1,0,1]=4 973 B9R1.89 NCC1CCCCCC1 MCULE-6071072186 [1,0,0,1,0,0|1,0,0]=3 974 B9R1.89 NCC1CCCCCC1 MCULE-8981470928 [1,0,0,1,0,0|1,0,0]=3 975 B9R1.89 NCC1CCCCNC1 MCULE-7705035602 [1,0,0,1,0,0|2,0,0]=4 976 B9R1.89 NCC1CCCCNC1 MCULE-8170909949 [1,0,0,1,0,0|2,0,0]=4 977 B9R1.89 NNC1CCCCCC1 MCULE-1821259900 [1,0,0,1,0,0|2,0,0]=4 978 B9R1.89 NNC1CCCCCC1 MCULE-6325204009 [1,0,0,1,0,0|2,0,0]=4 979 B9R1.89 NNC1CCCCCC1 MCULE-7894671218 [1,0,0,1,0,0|2,0,0]=4 980 B9R1.89 O=CC1CCCCCC1 MCULE-2750232256 [1,0,0,1,0,0|0,0,2]=4 981 B9R1.89 OCC1CCC=CCC1 MCULE-1974756879 [1,0,0,1,0,0|0,0,2]=4 982 B9R1.89 OCC1CCCCCC1 MCULE-1749370417 [1,0,0,1,0,0|0,0,0]=2 983 B9R1.89 OCC1CCCCCC1 MCULE-2629813419 [1,0,0,1,0,0|0,0,0]=2 984 B9R1.89 OCC1CCCCCN1 MCULE-1586506984 [1,0,0,1,0,0|1,0,0]=3 985 B9R1.89 OCC1CCCCNC1 MCULE-1649629703 [1,0,0,1,0,0|1,0,0]=3 986 B9R1.89 OCC1CCCCNC1 MCULE-6297064506 [1,0,0,1,0,0|1,0,0]=3 987 B9R1.89 OCC1CCCNCC1 MCULE-1276268438 [1,0,0,1,0,0|1,0,0]=3 988 B9R1.89 OCC1CCCNCC1 MCULE-6937244427 [1,0,0,1,0,0|1,0,0]=3 989 B9R1.89 OCC1CCNCCO1 MCULE-9176508562 [1,0,0,1,0,0|2,0,0]=4 990 B9R1.89 OCC1CNCCCO1 MCULE-7903525804 [1,0,0,1,0,0|2,0,0]=4 991 B9R1.89 OCC1CNCCCO1 MCULE-9908272497 [1,0,0,1,0,0|2,0,0]=4 992 B9R1.89 OCC1CNCCOC1 MCULE-9049672869 [1,0,0,1,0,0|2,0,0]=4 993 B9R1.89 OCC1COCCOC1 MCULE-3330785002 [1,0,0,1,0,0|2,0,0]=4 994 B9R1.89 OC[C@@H]1CCCCCN1 MCULE-3068262302 [1,0,0,1,0,0|1,0,0]=3 995 B9R1.89 OC[C@@H]1CNCCCO1 MCULE-3544932007 [1,0,0,1,0,0|2,0,0]=4 996 B9R1.89 OC[C@@H]1CNCCCO1 MCULE-4726628241 [1,0,0,1,0,0|2,0,0]=4 997 B9R1.89 OC[C@@H]1CNCCCO1 MCULE-5225680882 [1,0,0,1,0,0|2,0,0]=4 998 B9R1.89 OC[C@@H]1CNCCCO1 MCULE-5475510815 [1,0,0,1,0,0|2,0,0]=4 999 B9R1.89 OC[C@H]1CNCCCO1 MCULE-2922219127 [1,0,0,1,0,0|2,0,0]=4 1000 B9R1.89 OC[C@H]1CNCCCO1 MCULE-3177968218 [1,0,0,1,0,0|2,0,0]=4 1001 B9R1.89 OC[C@H]1CNCCCO1 MCULE-3793527665 [1,0,0,1,0,0|2,0,0]=4 1002 B9R1.89 OC[C@H]1CNCCCO1 MCULE-7260252629 [1,0,0,1,0,0|2,0,0]=4 1003 B9R1.89 ON=C1CCCCCC1 MCULE-4992018002 [1,0,0,1,0,0|1,0,1]=4 1004 B9R1.94 CCC1(CC1CN)CC MCULE-3601766058 [1,0,0,1,0,0|2,0,0]=4 1005 B9R1.94 CCC1(CC1CN)CC MCULE-6642311787 [1,0,0,1,0,0|2,0,0]=4 1006 B9R1.120 CC1CCC1(CO)CO MCULE-7776828217 [1,0,0,1,0,0|1,0,0]=3 1007 B9R1.193 CCOCC1(CC1)CN MCULE-6961208947 [1,0,0,1,0,0|2,0,0]=4 1008 B9R1.193 CCOCC1(CC1)CN MCULE-7024281549 [1,0,0,1,0,0|2,0,0]=4 1009 B9R1.193 COCCC1(CC1)CCl MCULE-9294072009 [1,0,0,1,0,0|2,0,0]=4 1010 B9R1.193 COCCC1(CC1)CN MCULE-3961477076 [1,0,0,1,0,0|2,0,0]=4 1011 B9R1.204 BrCC1(CCCC1)CBr MCULE-3057305224 [1,0,0,1,0,0|2,0,0]=4 1012 B9R1.204 CCC1(CCCC1)C#N MCULE-2200864610 [1,0,0,1,0,0|1,0,1]=4 1013 B9R1.204 CCC1(CCCC1)CN MCULE-6844969961 [1,0,0,1,0,0|1,0,0]=3 1014 B9R1.204 CCC1(CCCN1)CC MCULE-2537404907 [1,0,0,1,0,0|2,0,0]=4 1015 B9R1.204 CCC1(CCCN1)CC MCULE-8938509126 [1,0,0,1,0,0|2,0,0]=4 1016 B9R1.204 CCC1(CCCN1)CO MCULE-2291730213 [1,0,0,1,0,0|1,0,0]=3 1017 B9R1.204 CCC1(CCNC1)CC MCULE-5407355870 [1,0,0,1,0,0|2,0,0]=4 1018 B9R1.204 CCC1(CCNC1)CO MCULE-6824082536 [1,0,0,1,0,0|1,0,0]=3 1019 B9R1.204 CCC1(CC[NH2+]C1)CC MCULE-3148835994 [1,0,0,1,0,0|2,0,0]=4 1020 B9R1.204 CNC1(CCCC1)CO MCULE-1687582141 [1,0,0,1,0,0|1,0,0]=3 1021 B9R1.204 CNC1(CCOC1)CO MCULE-1597439940 [1,0,0,1,0,0|2,0,0]=4 1022 B9R1.204 CNC1(CCSC1)CO MCULE-8777175880 [1,0,0,1,0,0|2,0,0]=4 1023 B9R1.204 COC1(CCCC1)CBr MCULE-4708934914 [1,0,0,1,0,0|2,0,0]=4 1024 B9R1.204 COC1(CCCC1)CN MCULE-4479422270 [1,0,0,1,0,0|2,0,0]=4 1025 B9R1.204 COC1(CCCC1)CO MCULE-4347741831 [1,0,0,1,0,0|1,0,0]=3 1026 B9R1.204 COC1(CCOC1)CO MCULE-5882769438 [1,0,0,1,0,0|2,0,0]=4 1027 B9R1.204 N#CC1(CCCC1)CO MCULE-8187436672 [1,0,0,1,0,0|1,0,1]=4 1028 B9R1.204 NCC1(CCCC1)CN MCULE-6782705408 [1,0,0,1,0,0|2,0,0]=4 1029 B9R1.204 NCC1(CCCC1)CO MCULE-5764013495 [1,0,0,1,0,0|1,0,0]=3 1030 B9R1.204 NCC1(CCCC1)CO MCULE-8669848799 [1,0,0,1,0,0|1,0,0]=3 1031 B9R1.204 NCC1(CCOC1)CO MCULE-2011513032 [1,0,0,1,0,0|2,0,0]=4 1032 B9R1.204 OCC1(CCCC1)CO MCULE-6896331863 [1,0,0,1,0,0|1,0,0]=3 1033 B9R1.204 OCC1(CCCN1)CO MCULE-8513711939 [1,0,0,1,0,0|2,0,0]=4 1034 B9R1.204 OCC1(CCCO1)CO MCULE-2056655928 [1,0,0,1,0,0|2,0,0]=4 1035 B9R1.204 OCC1(CCNC1)CO MCULE-5448294830 [1,0,0,1,0,0|2,0,0]=4 1036 B9R1.14 CCC1CCCC1CN MCULE-1703862248 [1,0,0,1,0,0|2,0,0]=4 1037 B9R1.14 CCC1CNCC1CC MCULE-7269079242 [1,0,0,1,0,0|2,0,0]=4 1038 B9R1.14 CCC1CNCC1CO MCULE-2035722014 [1,0,0,1,0,0|2,0,0]=4 1039 B9R1.14 CCC1NCCC1CO MCULE-7281322099 [1,0,0,1,0,0|1,0,0]=3 1040 B9R1.14 CCN1CCCC1CO MCULE-6449869915 [1,0,0,1,0,0|2,0,0]=4 1041 B9R1.14 CCN1CCC[C@@H]1CO MCULE-3480163864 [1,0,0,1,0,0|2,0,0]=4 1042 B9R1.14 CCN1CCC[C@H]1CO MCULE-1120119069 [1,0,0,1,0,0|2,0,0]=4 1043 B9R1.14 CCN1CCC[C@H]1CO MCULE-6346417572 [1,0,0,1,0,0|2,0,0]=4 1044 B9R1.14 CC[C@H]1CNC[C@@H]1CO MCULE-1076286750 [1,0,0,1,0,0|2,0,0]=4 1045 B9R1.14 CC[C@H]1CNC[C@@H]1CO MCULE-9319128709 [1,0,0,1,0,0|2,0,0]=4 1046 B11R1.8 OCC1OC(CC(C1O)O)O MCULE-7274763429 [0,0,0,1,0,1|2,0,0]=4 1047 B11R1.8 OC[C@H]1OC(C[C@H]([C@@H]1O)O)O MCULE-5781268479 [0,0,0,1,0,1|2,0,0]=4 1048 B11R1.8 OC[C@H]1OC(C[C@H]([C@@H]1O)O)O MCULE-6452818005 [0,0,0,1,0,1|2,0,0]=4 1049 B11R1.8 OC[C@H]1OC(C[C@H]([C@H]1O)O)O MCULE-2042257317 [0,0,0,1,0,1|2,0,0]=4 1050 B11R1.8 OC[C@H]1OC(C[C@H]([C@H]1O)O)O MCULE-7003907088 [0,0,0,1,0,1|2,0,0]=4 1051 B11R1.84 NCC(CO)CC1CCCC1 MCULE-5327389642 [0,0,0,1,0,1|2,0,0]=4 1052 B11R1.189 CCCN1CCCC(C1)CO MCULE-9984784416 [0,0,0,1,0,1|2,0,0]=4 1053 B11R1.2 CCOC(CN)C1CCOC1 MCULE-3818463603 [0,1,0,1,0,0|2,0,0]=4 1054 B11R1.2 NCCC(CO)N1CCCC1 MCULE-2805490589 [0,1,0,1,0,0|2,0,0]=4 1055 B11R1.12 CCC(CC)C1CCCCN1 MCULE-3466368996 [0,1,0,1,0,0|2,0,0]=4 1056 B11R1.12 CCC(CN)C1CCOCC1 MCULE-8289348991 [0,1,0,1,0,0|2,0,0]=4 1057 B11R1.12 CCC(CO)N1CCNCC1 MCULE-5234159482 [0,1,0,1,0,0|2,0,0]=4 1058 B11R1.12 COC(CN)C1CCCOC1 MCULE-5741797670 [0,1,0,1,0,0|2,0,0]=4 1059 B11R1.12 COC(CO)C1CCCCC1 MCULE-9738859952 [0,1,0,1,0,0|2,0,0]=4 1060 B11R1.12 COC(CO)C1CCOCC1 MCULE-7795924872 [0,1,0,1,0,0|2,0,0]=4 1061 B11R1.12 NCC(CO)C1CCCCC1 MCULE-3722805591 [0,1,0,1,0,0|2,0,0]=4 1062 B11R1.12 NCC(CO)C1CCOCC1 MCULE-7156499153 [0,1,0,1,0,0|2,0,0]=4 1063 B11R1.12 OCC(CO)C1CCCCC1 MCULE-1482252755 [0,1,0,1,0,0|2,0,0]=4 1064 B11R1.12 OCC(CO)C1CCNCC1 MCULE-2380660444 [0,1,0,1,0,0|2,0,0]=4 1065 B11R1.12 OCC(CO)C1CCNCC1 MCULE-8377490163 [0,1,0,1,0,0|2,0,0]=4 1066 B11R1.12 OCC(CO)C1CCOCC1 MCULE-8815501407 [0,1,0,1,0,0|2,0,0]=4 1067 B11R1.41 CCCC1CCCCC1CN MCULE-8861688157 [0,1,0,1,0,0|2,0,0]=4 1068 B11R1.51 CCC1CNCCCN1CO MCULE-5595893497 [0,1,0,1,0,0|2,0,0]=4 1069 B11R1.51 CCC1CNCCCN1CO MCULE-5905249374 [0,1,0,1,0,0|2,0,0]=4 1070 B11R1.51 CCN1CCCCCC1CO MCULE-9392450597 [0,1,0,1,0,0|2,0,0]=4 1071 B11R1.51 CNC1CCCCCC1OC MCULE-2897047131 [0,1,0,1,0,0|2,0,0]=4 1072 B11R1.51 ON=C1CCCCCC1NO MCULE-1052932227 [0,1,0,1,0,0|1,0,1]=4 1073 B11R1.51 ON=C1CCCCCC1[NH2+]O MCULE-6068326119 [0,1,0,1,0,0|1,0,1]=4 1074 B11R1.1088 CCC1(C(CC1OC)N)CC MCULE-8852025425 [0,1,0,1,0,0|2,0,0]=4 1075 B11R1.1088 CCC1(C(CC1OC)O)CC MCULE-3473991129 [0,1,0,1,0,0|1,0,0]=3 1076 B11R1.18 NCCCN1CCCC1CO MCULE-3712610306 [0,1,0,1,0,0|2,0,0]=4 1077 B11R1.5 CCOC1CCCCCC1N MCULE-9256143866 [0,1,0,1,0,0|2,0,0]=4 1078 B11R1.5 [N-]=[N+]=N[C@@H]1CCCCC[C@@H]1O MCULE-1643561549 [0,1,0,1,0,0|2,0,0]=4 1079 B11R1.16 CCCC(N)C1CCCCC1 MCULE-6305435948 [0,1,0,1,0,0|2,0,0]=4 1080 B11R1.16 CCCC(O)C1CCCCC1 MCULE-3498852587 [0,1,0,1,0,0|1,0,0]=3 1081 B11R1.16 COCC(N)C1CCCOC1 MCULE-7227780316 [0,1,0,1,0,0|2,0,0]=4 1082 B11R1.16 COCC(N)C1CCOCC1 MCULE-1769870668 [0,1,0,1,0,0|2,0,0]=4 1083 B11R1.16 NC(CCO)C1CCOCC1 MCULE-2681332250 [0,1,0,1,0,0|2,0,0]=4 1084 B11R1.16 NC(CCO)C1CCOCC1 MCULE-5518851913 [0,1,0,1,0,0|2,0,0]=4 1085 B11R1.16 NCCC(O)C1CCCCC1 MCULE-3023173021 [0,1,0,1,0,0|2,0,0]=4 1086 B11R1.16 OCCC(O)C1CCNCC1 MCULE-8204754878 [0,1,0,1,0,0|2,0,0]=4 1087 B11R1.81 CCCC1CCC(CC1O)C MCULE-8092215749 [0,1,0,1,0,0|1,0,0]=3 1088 B11R1.109 CCNC1COCC1OCC MCULE-4118732556 [0,1,0,1,0,0|2,0,0]=4 1089 B11R1.109 CCNC1COCC1OCC MCULE-5993823250 [0,1,0,1,0,0|2,0,0]=4 1090 B11R1.109 CCN[C@@H]1COC[C@H]1OCC MCULE-1812983583 [0,1,0,1,0,0|2,0,0]=4 1091 B11R1.109 CCN[C@@H]1COC[C@H]1OCC MCULE-9590646552 [0,1,0,1,0,0|2,0,0]=4 1092 B11R1.277 OCC1OC(C(CC1O)O)O MCULE-4817281530 [0,1,0,1,0,0|2,0,0]=4 1093 B11R1.605 CC1CCCC(N1CCO)C MCULE-6534227132 [0,1,0,1,0,0|2,0,0]=4 1094 B11R1.605 COCC1C(=O)CCCC1C MCULE-4444498649 [0,1,0,1,0,0|0,0,2]=4 1095 B11R1.605 C[C@H]1CCC[C@H](N1CCO)C MCULE-7999928874 [0,1,0,1,0,0|2,0,0]=4 1096 B11R1.278 OCC1NCC(C(C1O)O)O MCULE-8095897922 [0,1,0,1,0,0|2,0,0]=4 1097 B11R1.278 OCC1NCC(C(C1O)O)O MCULE-8945870725 [0,1,0,1,0,0|2,0,0]=4 1098 B11R1.278 OCC1OCC(C(C1O)O)O MCULE-4403765571 [0,1,0,1,0,0|2,0,0]=4 1099 B11R1.278 OCC1OCC([C@H]([C@@H]1O)O)O MCULE-1426082665 [0,1,0,1,0,0|2,0,0]=4 1100 B11R1.278 OC[C@@H]1NC[C@@H]([C@H]([C@@H]1O)O)O MCULE-6816426610 [0,1,0,1,0,0|2,0,0]=4 1101 B11R1.278 OC[C@H]1NC[C@@H]([C@H]([C@@H]1O)O)O MCULE-7821502238 [0,1,0,1,0,0|2,0,0]=4 1102 B11R1.278 OC[C@H]1NC[C@@H]([C@H]([C@@H]1O)O)O MCULE-7929596923 [0,1,0,1,0,0|2,0,0]=4 1103 B11R1.278 OC[C@H]1NC[C@@H]([C@H]([C@@H]1O)O)O MCULE-7935101104 [0,1,0,1,0,0|2,0,0]=4 1104 B11R1.278 OC[C@H]1NC[C@@H]([C@H]([C@@H]1O)O)O MCULE-8897116077 [0,1,0,1,0,0|2,0,0]=4 1105 B11R1.278 OC[C@H]1NC[C@@H]([C@H]([C@H]1O)O)O MCULE-3687609653 [0,1,0,1,0,0|2,0,0]=4 1106 B11R1.278 OC[C@H]1NC[C@@H]([C@H]([C@H]1O)O)O MCULE-3759351391 [0,1,0,1,0,0|2,0,0]=4 1107 B11R1.278 OC[C@H]1NC[C@@H]([C@H]([C@H]1O)O)O MCULE-6717850596 [0,1,0,1,0,0|2,0,0]=4 1108 B11R1.278 OC[C@H]1NC[C@@H]([C@H]([C@H]1O)O)O MCULE-9908232709 [0,1,0,1,0,0|2,0,0]=4 1109 B11R1.278 OC[C@H]1NC[C@H]([C@H]([C@@H]1O)O)O MCULE-1549794897 [0,1,0,1,0,0|2,0,0]=4 1110 B11R1.278 OC[C@H]1NC[C@H]([C@H]([C@@H]1O)O)O MCULE-3347277528 [0,1,0,1,0,0|2,0,0]=4 1111 B11R1.278 OC[C@H]1NC[C@H]([C@H]([C@@H]1O)O)O MCULE-3572681892 [0,1,0,1,0,0|2,0,0]=4 1112 B11R1.278 OC[C@H]1NC[C@H]([C@H]([C@@H]1O)O)O MCULE-4809870237 [0,1,0,1,0,0|2,0,0]=4 1113 B11R1.278 OC[C@H]1OC[C@@H]([C@H]([C@@H]1O)O)O MCULE-1084535328 [0,1,0,1,0,0|2,0,0]=4 1114 B11R1.278 OC[C@H]1OC[C@@H]([C@H]([C@@H]1O)O)O MCULE-3911794509 [0,1,0,1,0,0|2,0,0]=4 1115 B11R1.278 OC[C@H]1OC[C@H]([C@H]([C@@H]1O)O)O MCULE-5628459668 [0,1,0,1,0,0|2,0,0]=4 1116 B11R1.278 OC[C@H]1OC[C@H]([C@H]([C@@H]1O)O)O MCULE-8354002491 [0,1,0,1,0,0|2,0,0]=4 1117 B11R1.278 [C@@H]1(CO[C@@H]([C@@H]([C@@H]1O)O)CO)O MCULE-6342457653 [0,1,0,1,0,0|2,0,0]=4 1118 B11R1.381 CN[C@@H]1CCCC[C@H]([C@@H]1O)O MCULE-5900059446 [0,1,0,1,0,0|2,0,0]=4 1119 B11R1.143 CN(C)[C@@H]1CCCCC[C@H]1O MCULE-5045697705 [0,1,0,1,0,0|2,0,0]=4 1120 B11R1.143 NC1CCCCCC1C(=O)O MCULE-8944650297 [0,1,0,1,0,0|1,0,1]=4 1121 B11R1.143 NC1CCCCCC1C(=O)O MCULE-9787960494 [0,1,0,1,0,0|1,0,1]=4 1122 B11R1.166 C=C(C)C1CCC(CC1O)C MCULE-6876529269 [0,1,0,1,0,0|1,0,1]=4 1123 B11R1.166 C=C(C)[C@@H]1CC[C@H](C[C@H]1O)C MCULE-1067653371 [0,1,0,1,0,0|1,0,1]=4 1124 B11R1.166 C=C(C)[C@@H]1CC[C@H](C[C@H]1O)C MCULE-5364222532 [0,1,0,1,0,0|1,0,1]=4 1125 B11R1.166 C=C(C)[C@H]1CC[C@@H](C[C@@H]1O)C MCULE-4889883612 [0,1,0,1,0,0|1,0,1]=4 1126 B11R1.166 C=C(C)[C@H]1CC[C@@H](C[C@@H]1O)C MCULE-5543514610 [0,1,0,1,0,0|1,0,1]=4 1127 B11R1.166 CC(C)[C@@H]1CC[C@@H](C[C@H]1O)C MCULE-5677191856 [0,1,0,1,0,0|1,0,0]=3 1128 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@@H]1N)C MCULE-7501225610 [0,1,0,1,0,0|2,0,0]=4 1129 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@@H]1O)C MCULE-1773565901 [0,1,0,1,0,0|1,0,0]=3 1130 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@@H]1O)C MCULE-4169296301 [0,1,0,1,0,0|1,0,0]=3 1131 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1Cl)C MCULE-4069870536 [0,1,0,1,0,0|2,0,0]=4 1132 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1Cl)C MCULE-4650663746 [0,1,0,1,0,0|2,0,0]=4 1133 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1N)C MCULE-5864977528 [0,1,0,1,0,0|2,0,0]=4 1134 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1N)C MCULE-6746746604 [0,1,0,1,0,0|2,0,0]=4 1135 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1O)C MCULE-8181548788 [0,1,0,1,0,0|1,0,0]=3 1136 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1O)C MCULE-9383663409 [0,1,0,1,0,0|1,0,0]=3 1137 B11R1.166 CC(C)[C@H]1CC[C@@H](C[C@@H]1O)C MCULE-5125262116 [0,1,0,1,0,0|1,0,0]=3 1138 B11R1.166 CC(C)[C@H]1CC[C@@H](C[C@@H]1O)C MCULE-9589330865 [0,1,0,1,0,0|1,0,0]=3 1139 B11R1.166 CC(C)[C@H]1CC[C@@H](C[C@H]1N)C MCULE-6314259897 [0,1,0,1,0,0|2,0,0]=4 1140 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@@H]1O)C MCULE-4166374217 [0,1,0,1,0,0|1,0,0]=3 1141 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@@H]1O)C MCULE-7374236073 [0,1,0,1,0,0|1,0,0]=3 1142 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@H]1N)C MCULE-2829839800 [0,1,0,1,0,0|2,0,0]=4 1143 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@H]1N)C MCULE-3130077748 [0,1,0,1,0,0|2,0,0]=4 1144 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@H]1O)C MCULE-7668025828 [0,1,0,1,0,0|1,0,0]=3 1145 B11R1.166 CC1CCC(C(C1)C)C(=O)O MCULE-4443353151 [0,1,0,1,0,0|1,0,1]=4 1146 B11R1.166 CC1CCC(C(C1)Cl)C(C)C MCULE-9198769469 [0,1,0,1,0,0|2,0,0]=4 1147 B11R1.166 CC1CCC(C(C1)N)C(C)C MCULE-1327044450 [0,1,0,1,0,0|2,0,0]=4 1148 B11R1.166 CC1CCC(C(C1)N)C(C)C MCULE-9517631438 [0,1,0,1,0,0|2,0,0]=4 1149 B11R1.166 CC1CCC(C(C1)O)C(C)C MCULE-3070949324 [0,1,0,1,0,0|1,0,0]=3 1150 B11R1.166 CC1CCC([C@@H](C1)O)C(C)C MCULE-9642995130 [0,1,0,1,0,0|1,0,0]=3 1151 B11R1.193 CCCC1CCCC1C(=O)O MCULE-1492543766 [0,1,0,1,0,0|1,0,1]=4 1152 B11R1.1047 CC1CCC(C(C1)C)(C)CO MCULE-9245801250 [0,1,0,1,0,0|1,0,0]=3 1153 B11R1.1047 CC1CC[C@](C(C1)C)(C)CO MCULE-6266951039 [0,1,0,1,0,0|1,0,0]=3 1154 B11R2.18 C1CCC2CNCC2CC1 MCULE-4242728123 [0,0,0,2,0,0|2,0,0]=4 1155 B11R2.106 NC1CCCC2C1CCO2 MCULE-5334318515 [0,0,0,2,0,0|1,0,0]=3 1156 B11R2.106 NC1CCCC2C1CNC2 MCULE-1499312938 [0,0,0,2,0,0|2,0,0]=4 1157 B11R2.106 OC1CCCC2C1CNC2 MCULE-1574578345 [0,0,0,2,0,0|1,0,0]=3 1158 B11R2.106 OC1CCCC2C1CNC2 MCULE-4236458833 [0,0,0,2,0,0|1,0,0]=3 1159 B11R2.106 OC1CCNC2C1CCC2 MCULE-2210743282 [0,0,0,2,0,0|2,0,0]=4 1160 B11R2.191 ICC1OCC2C1OCC2 MCULE-6924746043 [0,0,0,2,0,0|1,0,0]=3 1161 B11R2.191 NC[C@H]1CC[C@H]2[C@@H]1CCC2 MCULE-6571164346 [0,0,0,2,0,0|2,0,0]=4 1162 B11R2.191 NC[C@H]1CC[C@H]2[C@@H]1CCC2 MCULE-9278602388 [0,0,0,2,0,0|2,0,0]=4 1163 B11R2.191 [C@@H]12CCCN1CC[C@H]2CO MCULE-9375281978 [0,0,0,2,0,0|1,0,0]=3 1164 B11R2.191 [C@H]12CCCN1CC[C@@H]2CO MCULE-9274497463 [0,0,0,2,0,0|1,0,0]=3 1165 B11R2.216 NCC1CCCC1C2CC2 MCULE-3707757730 [0,0,0,2,0,0|2,0,0]=4 1166 B11R2.216 NCC1CCCC1C2CC2 MCULE-5126721099 [0,0,0,2,0,0|2,0,0]=4 1167 B11R2.216 OCC1CCOC1C2CC2 MCULE-6220379523 [0,0,0,2,0,0|0,0,0]=2 1168 B11R2.232 OCC1C2CCC1CNC2 MCULE-1906901428 [0,0,0,2,0,0|2,0,0]=4 1169 B11R2.232 OCC1C2CCC1CNC2 MCULE-5659837916 [0,0,0,2,0,0|2,0,0]=4 1170 B11R2.232 OCC1C2CCCC1NC2 MCULE-7840712144 [0,0,0,2,0,0|1,0,0]=3 1171 B11R2.1098 NCC12CCCC1CCC2 MCULE-1603938524 [0,0,0,2,0,0|2,0,0]=4 1172 B11R2.1098 NCC12CCCC1CCC2 MCULE-3837300076 [0,0,0,2,0,0|2,0,0]=4 1173 B11R2.1098 OCC12CCCC1CNC2 MCULE-8231266103 [0,0,0,2,0,0|2,0,0]=4 1174 B11R2.1098 OCC12CCCC1OCC2 MCULE-1055806217 [0,0,0,2,0,0|0,0,0]=2 1175 B11R2.1098 OCC12CCCN1CCC2 MCULE-2521405790 [0,0,0,2,0,0|2,0,0]=4 1176 B11R2.1098 OCC12CCCN1CCC2 MCULE-5199260730 [0,0,0,2,0,0|2,0,0]=4 1177 B11R2.1098 [C@@H]12CCC[C@@]1(CNC2)CO MCULE-3499897803 [0,0,0,2,0,0|2,0,0]=4 1178 B11R2.1098 [C@@H]12CCC[C@@]1(CNC2)CO MCULE-9182740765 [0,0,0,2,0,0|2,0,0]=4 1179 B11R2.2 C1CC(CN1)C2CCOC2 MCULE-8142873976 [0,0,0,2,0,0|2,0,0]=4 1180 B11R2.2 C1CC(CN1)C2OCCO2 MCULE-5346823730 [0,0,0,2,0,0|2,0,0]=4 1181 B11R2.2 C1CC(CN1)C2OCCO2 MCULE-7458196645 [0,0,0,2,0,0|2,0,0]=4 1182 B11R2.2 C1CCC(C1)C2CCCN2 MCULE-9071337521 [0,0,0,2,0,0|2,0,0]=4 1183 B11R2.2 C1CCC(C1)C2CCNC2 MCULE-9583086157 [0,0,0,2,0,0|2,0,0]=4 1184 B11R2.2 C1CNC(C1)C2CCCO2 MCULE-2210283553 [0,0,0,2,0,0|2,0,0]=4 1185 B11R2.2 C1COC(C1)C2CCNC2 MCULE-3159866834 [0,0,0,2,0,0|1,0,0]=3 1186 B11R2.7 OC1CCC1N2CCCC2 MCULE-8382558561 [0,0,0,2,0,0|2,0,0]=4 1187 B11R2.23 OCC1(CC1)N2CCCC2 MCULE-1775699056 [0,0,0,2,0,0|2,0,0]=4 1188 B11R2.28 NC1C2CCC(C2)C1CO MCULE-1725281831 [0,0,0,2,0,0|1,0,0]=3 1189 B11R2.28 NC1C2CCC(C2)C1CO MCULE-3684102264 [0,0,0,2,0,0|1,0,0]=3 1190 B11R2.28 N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1CO MCULE-2098065894 [0,0,0,2,0,0|1,0,0]=3 1191 B11R2.28 N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1CO MCULE-2758013761 [0,0,0,2,0,0|1,0,0]=3 1192 B11R2.3 NC1CCCC12CCCC2 MCULE-6982241499 [0,0,0,2,0,0|2,0,0]=4 1193 B11R2.3 NC1CCOC12CCOC2 MCULE-7736637808 [0,0,0,2,0,0|2,0,0]=4 1194 B11R2.3 O=C1CCCC12CCOC2 MCULE-7355923590 [0,0,0,2,0,0|0,0,2]=4 1195 B11R2.3 OC1CCCC12CCCC2 MCULE-7885038968 [0,0,0,2,0,0|1,0,0]=3 1196 B11R2.3 OC1CCNC12CCCC2 MCULE-9409590659 [0,0,0,2,0,0|2,0,0]=4 1197 B11R2.3 OC1CCNC12CCSC2 MCULE-7691529670 [0,0,0,2,0,0|1,1,0]=4 1198 B11R2.3 O[C@@H]1CCC[C@@]12CCCN2 MCULE-2698204963 [0,0,0,2,0,0|2,0,0]=4 1199 B11R2.3 O[C@@H]1CCC[C@@]12CCCN2 MCULE-7676551647 [0,0,0,2,0,0|2,0,0]=4 1200 B11R2.63 O=C1C2CCC(C1CC2)O MCULE-5840316953 [0,0,0,2,0,0|0,0,2]=4 1201 B11R2.120 CN1C2CCCC1C(C2)O MCULE-3808517273 [0,0,0,2,0,0|2,0,0]=4 1202 B11R2.120 [C@@H]12CCC[C@@H](N1C)C[C@@H]2O MCULE-5039731311 [0,0,0,2,0,0|2,0,0]=4 1203 B11R2.120 [C@@H]12CCC[C@@H](N1C)C[C@H]2O MCULE-3578580608 [0,0,0,2,0,0|2,0,0]=4 1204 B11R2.696 C[N+]12CCC(CC1)C(C2)O MCULE-1903392440 [0,0,0,2,0,0|2,0,0]=4 1205 B11R2.696 C[N+]12CCC(CC1)C(C2)O MCULE-6036703305 [0,0,0,2,0,0|2,0,0]=4 1206 B11R2.696 C[N+]12CCC(CC1)C(C2)O MCULE-7202442208 [0,0,0,2,0,0|2,0,0]=4 1207 B11R2.696 C[N+]12CCC(CC1)C(C2)O MCULE-8241228405 [0,0,0,2,0,0|2,0,0]=4 1208 B11R2.696 C[N+]12CCC(CC1)C(C2)O MCULE-9304094091 [0,0,0,2,0,0|2,0,0]=4 1209 B11R2.1350 OCC1(CC1)C(O)C2CC2 MCULE-8567523214 [0,0,0,2,0,0|0,0,0]=2 1210 B11R2.1314 NCC1(CC1)C2(CCC2)O MCULE-8261376029 [0,0,0,2,0,0|1,0,0]=3 1211 B9R0.34 CCCC(=O)OC(C)CC MCULE-2445269271 [1,0,0,0,0,1|0,0,2]=4 1212 B9R0.34 CCCC(C)CC(C)CC MCULE-6332739976 [1,0,0,0,0,1|1,0,0]=3 1213 B9R0.34 [C@@H](C)(CO)OC(C)OCC MCULE-1195285206 [1,0,0,0,0,1|2,0,0]=4