0 B8R0.1 CCCCS(=O)CCO CSC000117714 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.1 CCOC(=O)CCSC CSC000173045 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.1 CCOC(=O)CSCC CSC000172126 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.4 CC(C)CC(=O)OCC=C CSC000006416 [0,1,0,0,0,0|0,0,2]=3 4 B9R0.4 CC(C)NC(=O)NCCN CSC011374587 [0,1,0,0,0,0|3,0,0]=4 5 B9R0.4 CCCCC(=O)OC(C)C CSC000169914 [0,1,0,0,0,0|2,0,0]=3 6 B9R0.4 CCCNC(=O)NC(C)C CSC000163085 [0,1,0,0,0,0|2,0,0]=3 7 B9R0.4 CCCOC(=O)CC(C)C CSC000170144 [0,1,0,0,0,0|0,0,0]=1 8 B9R0.4 CNCCC(=O)NC(C)C CSC011534604 [0,1,0,0,0,0|3,0,0]=4 9 B9R0.5 CCCC(=O)NCCSC CSC000161292 [0,1,0,0,0,0|1,0,0]=2 10 B9R0.5 CCCCCC(=O)OCC CSC000170156 [0,1,0,0,0,0|2,0,0]=3 11 B9R0.5 CCCCNC(=O)CNC CSC000213093 [0,1,0,0,0,0|2,0,0]=3 12 B9R0.5 CCCCNC(=O)COC CSC000159063 [0,1,0,0,0,0|2,0,0]=3 13 B9R0.5 CCCCNC(=O)NCC CSC000163430 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.5 CCCCOC(=O)CCC CSC011212260 [0,1,0,0,0,0|0,0,0]=1 15 B9R0.5 CCNC(=O)NCCC#C CSC011979724 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.5 CCNC(=O)NCCOC CSC000163157 [0,1,0,0,0,0|2,0,0]=3 17 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.5 COCCNC(=O)COC CSC000157859 [0,1,0,0,0,0|2,0,0]=3 19 B9R0.8 CCCNC(=O)C(=O)NC CSC015545704 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.8 CCCOC(=O)C(C)CC CSC011213261 [0,1,0,0,0,0|0,0,0]=1 21 B9R0.18 CCCCC(=O)OCCC CSC000169915 [0,1,0,0,0,0|0,0,0]=1 22 B9R0.18 CCCCN(C)CCCC CSC000020957 [0,1,0,0,0,0|3,0,0]=4 23 B9R0.18 CCCCN(C)CCCN CSC011191814 [0,1,0,0,0,0|3,0,0]=4 24 B9R0.18 CCCCS(=O)CCCC CSC000031468 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.18 CCCNC(=O)NCC=C CSC000178634 [0,1,0,0,0,0|1,0,2]=4 26 B9R0.18 CCCNC(=O)NCCC CSC000163711 [0,1,0,0,0,0|1,0,0]=2 27 B9R0.34 CCC(C)NC(=O)CNC CSC000225638 [0,1,0,0,0,0|2,0,0]=3 28 B9R0.34 CCC(C)NC(=O)COC CSC000157950 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.34 CCCC(=O)OC(C)CC CSC000062825 [0,1,0,0,0,0|0,0,0]=1 30 B9R0.34 CCOC(=O)CC(C)CC CSC011218107 [0,1,0,0,0,0|2,0,0]=3 31 B9R0.35 CCCC(C)C(=O)OCC CSC011217054 [0,1,0,0,0,0|2,0,0]=3 32 B9R0.48 CCCC(=O)OCC(C)C CSC000005790 [0,1,0,0,0,0|0,0,0]=1 33 B9R0.48 CCNC(=O)NCC(=C)C CSC012183401 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [0,1,0,0,0,0|2,0,0]=3 36 B9R0.48 CNCC(=O)NCC(C)C CSC000168150 [0,1,0,0,0,0|2,0,0]=3 37 B9R0.66 CCCCS(=O)(=O)CCO CSC000106901 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.73 CSCC(=O)N1CCC1 CSC015245199 [0,0,0,1,0,0|2,0,0]=3 39 B6R0.1 CCCC(=O)NO CSC000190123 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.4 CCCCCCCSC CSC000033844 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.4 CCCCCCSCC CSC000073868 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.4 CCCCSCCCC CSC000025195 [1,1,0,0,0,0|0,1,1]=4 43 B8R0.4 CCSCCOCCO CSC011409966 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.7 CCCCSCC(C)C CSC000018356 [1,1,0,0,0,0|0,1,1]=4 45 B8R0.25 CCCCS(=O)(=O)CC CSC000047449 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.25 CCCNS(=O)(=O)CC CSC000169743 [1,1,0,0,0,0|2,0,0]=4 47 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [0,2,0,0,0,0|2,0,0]=4 48 B10R0.6 CCCCOC(=O)CC(C)C CSC011212304 [0,2,0,0,0,0|0,0,0]=2 49 B10R0.6 COCCOC(=O)C=C(C)C CSC000024270 [0,2,0,0,0,0|0,0,2]=4 50 B10R0.18 CCCNC(=O)NC(C)CC CSC000163167 [0,2,0,0,0,0|1,0,0]=3 51 B10R0.28 CCCNC(=O)NC(C)(C)C CSC000163414 [0,2,0,0,0,0|2,0,0]=4 52 B10R0.32 CCCC(C)C(=O)NC(C)C CSC000174269 [0,2,0,0,0,0|2,0,0]=4 53 B10R0.96 CC(C)CNC(=O)CC(C)C CSC000160783 [0,2,0,0,0,0|1,0,0]=3 54 B10R0.1 CCCC(=O)OCCCCO CSC000073227 [0,2,0,0,0,0|0,0,0]=2 55 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,2,0,0,0,0|2,0,0]=4 56 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [0,2,0,0,0,0|2,0,0]=4 57 B10R0.1 CCCCCNC(=O)COC CSC000157996 [0,2,0,0,0,0|2,0,0]=4 58 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [0,2,0,0,0,0|0,0,0]=2 59 B10R0.1 CCOC(=O)CCSCCO CSC011325821 [0,2,0,0,0,0|2,0,0]=4 60 B10R0.1 COCCCNC(=O)COC CSC000159247 [0,2,0,0,0,0|2,0,0]=4 61 B10R0.2 CCCC(C)NC(=O)CNC CSC000225643 [0,2,0,0,0,0|2,0,0]=4 62 B10R0.2 CCCC(C)NC(=O)COC CSC000208403 [0,2,0,0,0,0|2,0,0]=4 63 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,2,0,0,0,0|2,0,0]=4 64 B10R0.2 COCC(C)NC(=O)COC CSC000161538 [0,2,0,0,0,0|2,0,0]=4 65 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [0,2,0,0,0,0|0,0,0]=2 66 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,2,0,0,0,0|2,0,0]=4 67 B10R0.3 CNCC(=O)NCCC(C)C CSC000213094 [0,2,0,0,0,0|2,0,0]=4 68 B10R0.3 CNCC(=O)NCCN(C)C CSC011225625 [0,2,0,0,0,0|2,0,0]=4 69 B10R0.3 COCC(=O)NCCC(C)C CSC000159411 [0,2,0,0,0,0|2,0,0]=4 70 B10R0.3 COCC(=O)NCCN(C)C CSC000160002 [0,2,0,0,0,0|2,0,0]=4 71 B10R0.19 CCCOC(=O)C(C)CCC CSC011217736 [0,2,0,0,0,0|0,0,0]=2 72 B10R0.91 CCCCC(=O)NCCC#C CSC011979654 [0,2,0,0,0,0|1,0,1]=4 73 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [0,2,0,0,0,0|0,0,2]=4 74 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,2,0,0,0,0|0,0,0]=2 75 B10R0.91 CCCCNC(=O)NCCC CSC000163429 [0,2,0,0,0,0|1,0,0]=3 76 B10R0.91 CCCNC(=O)NCCOC CSC000163156 [0,2,0,0,0,0|1,0,0]=3 77 B10R0.91 CCOCC(=O)NCCC#C CSC011979636 [0,2,0,0,0,0|1,0,1]=4 78 B10R0.21 CCCNC(=O)N(CC)CC CSC000178510 [0,2,0,0,0,0|2,0,0]=4 79 B10R0.57 CCC(C)C(=O)OCC(C)C CSC000026080 [0,2,0,0,0,0|0,0,0]=2 80 B10R0.78 CCCNC(=O)NCC(C)C CSC000163605 [0,2,0,0,0,0|1,0,0]=3 81 B10R0.116 CCCCS(=O)(=O)CCCC CSC000034987 [0,2,0,0,0,0|2,0,0]=4 82 B10R0.116 CCCCS(=O)(=O)CCCO CSC000063389 [0,2,0,0,0,0|2,0,0]=4 83 B10R0.7 CCC(C)(C)NC(=O)COC CSC000192546 [0,2,0,0,0,0|2,0,0]=4 84 B10R0.26 COCC(=O)NC(C)C(C)C CSC000208441 [0,2,0,0,0,0|2,0,0]=4 85 B10R0.34 CCC(CC)NC(=O)COC CSC000161008 [0,2,0,0,0,0|2,0,0]=4 86 B10R0.109 CCCC(=O)NCC(C)(C)C CSC011466744 [0,2,0,0,0,0|1,0,0]=3 87 B10R0.109 CCOC(=O)CCC(C)(C)C CSC012130662 [0,2,0,0,0,0|2,0,0]=4 88 B10R0.109 CCOC(=O)CCC(C)(F)F CSC000054117 [0,2,0,0,0,0|2,0,0]=4 89 B10R1.180 CCCNC(=O)NC1CC1 CSC000163581 [0,1,0,1,0,0|1,0,0]=3 90 B10R1.266 CN(C)CC(=O)N1CCC1 CSC016130100 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.293 CCCNC(=O)C1CC1C CSC000161773 [0,1,0,1,0,0|1,0,0]=3 92 B10R1.11 CCNC(=O)C1CCCN1 CSC011197115 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.11 CCNC(=O)C1CCNC1 CSC011790733 [0,1,0,1,0,0|2,0,0]=4 94 B10R1.11 CCNC(=O)C1CCOC1 CSC011558105 [0,1,0,1,0,0|2,0,0]=4 95 B10R1.11 CCNC(=O)[C@@H]1CCCN1 CSC011422904 [0,1,0,1,0,0|2,0,0]=4 96 B10R1.11 CCNC(=O)[C@@H]1CCNC1 CSC018701730 [0,1,0,1,0,0|2,0,0]=4 97 B10R1.11 CCNC(=O)[C@H]1CCNC1 CSC015592258 [0,1,0,1,0,0|2,0,0]=4 98 B10R1.11 CCOC(=O)C1=CCCC1 CSC009876662 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [0,1,0,1,0,0|1,0,0]=3 100 B10R1.11 CCOC(=O)C1CCSC1 CSC012019184 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.11 COCC(=O)N1CCCC1 CSC000158196 [0,1,0,1,0,0|2,0,0]=4 102 B10R1.11 NCCC(=O)N1CCCC1 CSC000195578 [0,1,0,1,0,0|2,0,0]=4 103 B10R1.137 CCNC(=O)NC1CCC1 CSC011910442 [0,1,0,1,0,0|2,0,0]=4 104 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.186 CCCCNC(=O)C1CC1 CSC000159052 [0,1,0,1,0,0|1,0,0]=3 106 B10R1.186 COCCNC(=O)C1CC1 CSC000157847 [0,1,0,1,0,0|1,0,0]=3 107 B10R1.186 OCCCNC(=O)C1CC1 CSC000208351 [0,1,0,1,0,0|1,0,0]=3 108 B10R1.178 NCCNC(=O)C1CCC1 CSC000721965 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.182 COC(C)C(=O)N1CCC1 CSC011431752 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.17 CCSCC1CCCCO1 CSC015326925 [0,1,0,1,0,0|1,0,1]=4 111 B10R1.134 CCC(C)NC(=O)C1CC1 CSC000157909 [0,1,0,1,0,0|1,0,0]=3 112 B10R1.140 CCOC(=O)C1CC(C1)C CSC009829402 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.140 COCC(=O)N1CC(C1)C CSC015989043 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.140 COCC(=O)N1CC(C1)F CSC016093271 [0,1,0,1,0,0|2,0,0]=4 115 B10R1.140 COCC(=O)N1CC(C1)O CSC011807941 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.401 CCNC(=O)C1(CCC1)N CSC012868886 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.211 CC(C)CNC(=O)C1CC1 CSC000160776 [0,1,0,1,0,0|1,0,0]=3