0 B10R0.2 CCCC(C)NC(=O)CNC CSC000225643 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.2 CCCC(C)NC(=O)COC CSC000208403 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,0,0,0,0,0|0,0,0]=0 3 B10R0.2 CCNC(=O)CC(=O)NCC CSC000076010 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.5 CCCC(=O)NCCSC CSC000161292 [1,0,0,0,0,0|3,0,0]=4 5 B9R0.5 CCCCCC(=O)OCC CSC000170156 [1,0,0,0,0,0|0,0,0]=1 6 B9R0.5 CCCCNC(=O)CNC CSC000213093 [1,0,0,0,0,0|3,0,0]=4 7 B9R0.5 CCCCNC(=O)COC CSC000159063 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.5 CCCCNC(=O)NCC CSC000163430 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.5 CCCCOC(=O)CCC CSC011212260 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.5 CCNC(=O)NCCOC CSC000163157 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.5 CCOC(=O)CSCC#N CSC000172129 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.34 CCCC(=O)OC(C)CC CSC000062825 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.34 CCCC(C)NC(=O)CC CSC000174104 [1,0,0,0,0,0|2,0,0]=3 15 B9R0.34 CCCC(C)NC(=O)OC CSC000236099 [1,0,0,0,0,0|2,0,0]=3 16 B9R0.34 CCCC(O)CC(=O)OC CSC000065524 [1,0,0,0,0,0|0,0,0]=1 17 B9R0.34 CCOC(=O)CC(C)CC CSC011218107 [1,0,0,0,0,0|1,0,0]=2 18 B11R0.1 CCOC(=O)CC(=O)NC(C)C CSC000058733 [0,1,0,0,0,0|1,0,2]=4 19 B11R0.5 CCCNC(=O)CC(=O)OCC CSC000058579 [0,1,0,0,0,0|0,0,2]=3 20 B11R0.5 CCCNC(=O)NC(C)CCC CSC000163701 [0,1,0,0,0,0|3,0,0]=4 21 B11R0.5 CCOC(=O)CN(C)CCOC CSC011408476 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.30 CCCC(=O)OC1CCCC1 CSC016221133 [0,0,0,1,0,0|3,0,0]=4 23 B11R1.30 CCOC(=O)C=C1CCCC1 CSC000054197 [0,0,0,1,0,0|1,0,2]=4 24 B11R1.30 CCOC(=O)CC1CCCO1 CSC011219920 [0,0,0,1,0,0|0,0,0]=1 25 B11R1.30 CCOC(=O)CN1CCCC1 CSC000188105 [0,0,0,1,0,0|2,0,0]=3 26 B11R1.334 CCCC(C)NC(=O)C1CC1 CSC000172017 [0,0,0,1,0,0|3,0,0]=4 27 B9R0.35 CCCC(C)C(=O)OCC CSC011217054 [0,0,0,0,1,0|1,0,0]=2 28 B11R0.62 CCOC(=O)CNC(=O)OCC CSC011354237 [0,0,0,0,0,1|1,0,2]=4 29 B8R0.1 CCOC(=O)CCSC CSC000173045 [2,0,0,0,0,0|1,0,0]=3 30 B8R0.1 CCOC(=O)CSCC CSC000172126 [2,0,0,0,0,0|1,0,0]=3 31 B8R0.4 CCCCCCSCC CSC000073868 [2,0,0,0,0,0|0,1,1]=4 32 B8R0.6 CCCSCC(=O)OC CSC000151543 [2,0,0,0,0,0|1,0,0]=3 33 B8R0.6 COC(=O)CCCSC CSC011216297 [2,0,0,0,0,0|1,0,0]=3 34 B10R0.1 CCCC(=O)OCCCCO CSC000073227 [1,1,0,0,0,0|2,0,0]=4 35 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [1,1,0,0,0,0|0,0,0]=2 36 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [1,1,0,0,0,0|2,0,0]=4 37 B10R0.1 CCCCCNC(=O)COC CSC000157996 [1,1,0,0,0,0|2,0,0]=4 38 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [1,1,0,0,0,0|1,0,0]=3 39 B10R0.1 CCOC(=O)CCSCCO CSC011325821 [1,1,0,0,0,0|1,0,0]=3 40 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [1,1,0,0,0,0|2,0,0]=4 41 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [1,1,0,0,0,0|0,0,1]=3 42 B10R0.3 CCOC(=O)CSCC(=O)C CSC000172134 [1,1,0,0,0,0|1,0,1]=4 43 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [1,1,0,0,0,0|0,0,0]=2 44 B10R0.6 CCCCOC(=O)CC(C)C CSC011212304 [1,1,0,0,0,0|2,0,0]=4 45 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [1,1,0,0,0,0|0,0,1]=3 46 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [1,1,0,0,0,0|0,0,0]=2 47 B10R0.91 CCCCNC(=O)NCCC CSC000163429 [1,1,0,0,0,0|2,0,0]=4 48 B10R0.26 CCCC(C)NC(=O)C(C)C CSC000172014 [1,1,0,0,0,0|2,0,0]=4 49 B10R0.26 CCOC(=O)CN(C)C(C)C CSC000227145 [1,1,0,0,0,0|2,0,0]=4 50 B10R0.34 CCOC(=O)CN(CC)CC CSC000224615 [1,1,0,0,0,0|2,0,0]=4 51 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC CSC000720999 [1,1,0,0,0,0|1,0,1]=4 52 B10R0.46 COC(=O)C[C@H](O)C(=O)OC CSC015190871 [1,1,0,0,0,0|1,0,1]=4 53 B10R0.32 CCCC(C)C(=O)NC(C)C CSC000174269 [0,1,0,0,1,0|2,0,0]=4 54 B12R0.445 CCCC(O)CNS(=O)(=O)CCC CSC012139594 [0,1,0,0,0,1|2,0,0]=4 55 B12R0.445 CCCC(O)CNS(=O)(=O)NCC CSC013017551 [0,1,0,0,0,1|2,0,0]=4 56 B12R0.445 CCCS(=O)(=O)NCC(=O)OCC CSC011354238 [0,1,0,0,0,1|1,0,1]=4 57 B12R0.68 CCOC(=O)CC(C)SC(C)C#N CSC017414199 [0,2,0,0,0,0|2,0,0]=4 58 B10R1.11 CCNC(=O)C1CCCN1 CSC011197115 [1,0,0,1,0,0|2,0,0]=4 59 B10R1.11 CCNC(=O)C1CCNC1 CSC011790733 [1,0,0,1,0,0|2,0,0]=4 60 B10R1.11 CCNC(=O)C1CCOC1 CSC011558105 [1,0,0,1,0,0|2,0,0]=4 61 B10R1.11 CCNC(=O)[C@@H]1CCCN1 CSC011422904 [1,0,0,1,0,0|2,0,0]=4 62 B10R1.11 CCNC(=O)[C@@H]1CCNC1 CSC018701730 [1,0,0,1,0,0|2,0,0]=4 63 B10R1.11 CCNC(=O)[C@H]1CCNC1 CSC015592258 [1,0,0,1,0,0|2,0,0]=4 64 B10R1.11 CCOC(=O)C1=CCCC1 CSC009876662 [1,0,0,1,0,0|0,0,2]=4 65 B10R1.11 CCOC(=O)C1CC=CC1 CSC011934596 [1,0,0,1,0,0|0,0,2]=4 66 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [1,0,0,1,0,0|1,0,0]=3 67 B10R1.11 CCOC(=O)C1CCSC1 CSC012019184 [1,0,0,1,0,0|1,0,0]=3 68 B10R1.137 CCNC(=O)NC1CCC1 CSC011910442 [1,0,0,1,0,0|2,0,0]=4 69 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [1,0,0,1,0,0|0,0,0]=2 70 B10R1.186 CCCCNC(=O)C1CC1 CSC000159052 [1,0,0,1,0,0|2,0,0]=4 71 B10R1.8 CCN1CC(CC(C1)O)C CSC000080972 [1,0,0,1,0,0|2,0,0]=4 72 B10R1.27 CCC(=O)NC1CCCC1 CSC000160926 [1,0,0,1,0,0|2,0,0]=4 73 B10R1.27 CNC(=O)CC1CCCN1 CSC011463786 [1,0,0,1,0,0|2,0,0]=4 74 B10R1.27 CNC(=O)CC1CCCO1 CSC011295658 [1,0,0,1,0,0|1,0,0]=3 75 B10R1.27 COC(=O)CC1CCCC1 CSC000148925 [1,0,0,1,0,0|1,0,0]=3 76 B10R1.27 COC(=O)CC1CCCO1 CSC000244803 [1,0,0,1,0,0|0,0,0]=2 77 B10R1.149 COC(=O)C1CCCC1C CSC013347292 [1,0,0,1,0,0|1,0,0]=3 78 B10R1.140 CCOC(=O)C1CC(C1)C CSC009829402 [0,0,0,1,1,0|1,0,0]=3 79 B10R1.401 CCNC(=O)C1(CCC1)N CSC012868886 [0,0,0,1,1,0|2,0,0]=4 80 B12R1.17 CCNC(=O)C1CCCC(C1)C CSC009892720 [0,0,0,1,0,1|2,0,0]=4 81 B12R1.17 COCC(=O)N1CCCC(C1)O CSC011205807 [0,0,0,1,0,1|2,0,0]=4 82 B12R1.17 COCC(=O)N1CCC[C@@H](C1)O CSC014194212 [0,0,0,1,0,1|2,0,0]=4 83 B12R1.51 CCCC(=O)NCC1CCCO1 CSC000158282 [0,0,0,1,0,1|1,0,0]=3 84 B12R1.51 CCCC(=O)OCC1CCCO1 CSC000006210 [0,0,0,1,0,1|1,0,0]=3 85 B12R1.51 CCNC(=O)CCC1CCCC1 CSC000160163 [0,0,0,1,0,1|2,0,0]=4 86 B12R1.51 CCOC(=O)CCC1CCCC1 CSC000170312 [0,0,0,1,0,1|1,0,0]=3 87 B12R1.51 CNCC(=O)NCC1CCCO1 CSC000178247 [0,0,0,1,0,1|2,0,0]=4 88 B12R1.51 COCC(=O)NCC1CCCO1 CSC000158294 [0,0,0,1,0,1|2,0,0]=4 89 B12R1.313 COCC(=O)N1CC(CC1C)O CSC015438980 [0,0,0,1,0,1|2,0,0]=4 90 B12R1.318 CCOC(=O)CN1CCCC1=O CSC011212743 [0,0,0,1,0,1|0,0,2]=4 91 B12R1.32 CCOC(=O)CC1=CCCCC1 CSC011899744 [0,1,0,1,0,0|1,0,1]=4 92 B12R1.32 CCOC(=O)CC1CCCCC1 CSC000171474 [0,1,0,1,0,0|1,0,0]=3 93 B12R1.32 CCOC(=O)CC1CCOCC1 CSC011218914 [0,1,0,1,0,0|1,0,0]=3 94 B12R1.32 CCOC(=O)CN1CCOCC1 CSC000188100 [0,1,0,1,0,0|2,0,0]=4 95 B12R1.32 CCOC(=O)CN1CCSCC1 CSC011247055 [0,1,0,1,0,0|2,0,0]=4 96 B12R1.55 CCOC(=O)C(C)N1CCCC1 CSC011537669 [0,1,0,1,0,0|2,0,0]=4 97 B12R2.3412 CCOC(=O)C1CC1C2CC2 CSC016231765 [0,0,0,2,0,0|1,0,0]=3 98 B8R0.3 CCOC(=O)C(C)SC CSC000756453 [1,0,0,0,1,0|2,0,0]=4