0 B8R0.6 CCCSCC(=O)OC CSC000151543 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.6 COC(=O)CCCSC CSC011216297 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.6 COC(=O)CSCC#N CSC000151542 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.6 COC(=O)CSCC=C CSC000151546 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.1 CCC(=O)NCCC(C)C CSC000159400 [0,1,0,0,0,0|3,0,0]=4 5 B9R0.1 COC(=O)CCCC(=O)C CSC000015542 [0,1,0,0,0,0|1,0,0]=2 6 B9R0.1 COC(=O)CSCC(=O)C CSC000151549 [0,1,0,0,0,0|2,0,0]=3 7 B9R0.1 COC(=O)CSCC(C)C CSC000151547 [0,1,0,0,0,0|2,0,0]=3 8 B9R0.5 CCCC(=O)NCCSC CSC000161292 [0,1,0,0,0,0|2,0,0]=3 9 B9R0.5 CCCCCC(=O)OCC CSC000170156 [0,1,0,0,0,0|1,0,0]=2 10 B9R0.5 CCCCNC(=O)CNC CSC000213093 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.5 CCCCNC(=O)COC CSC000159063 [0,1,0,0,0,0|2,0,0]=3 12 B9R0.5 CCCCNC(=O)NCC CSC000163430 [0,1,0,0,0,0|3,0,0]=4 13 B9R0.5 CCCCOC(=O)CCC CSC011212260 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.5 CCNC(=O)NCCOC CSC000163157 [0,1,0,0,0,0|2,1,0]=4 15 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [0,1,0,0,0,0|2,0,0]=3 16 B9R0.5 CCOC(=O)CSCC#N CSC000172129 [0,1,0,0,0,0|3,0,0]=4 17 B9R0.5 COCCNC(=O)COC CSC000157859 [0,1,0,0,0,0|1,1,0]=3 18 B9R0.8 COC(=O)N(C)CCCN CSC000739217 [0,1,0,0,0,0|3,0,0]=4 19 B9R0.20 CCCCCS(=O)(=O)CC CSC009861012 [0,1,0,0,0,0|3,0,0]=4 20 B9R0.24 CCC(C)CCC(=O)OC CSC000079262 [0,1,0,0,0,0|1,0,0]=2 21 B9R0.34 CCCC(C)NC(=O)CC CSC000174104 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.34 CCCC(C)NC(=O)OC CSC000236099 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.34 CCCC(O)CC(=O)OC CSC000065524 [0,1,0,0,0,0|1,0,0]=2 24 B9R0.46 CCC(=O)NCCCOC CSC000159236 [0,1,0,0,0,0|1,1,0]=3 25 B9R0.46 CCCCCCC(=O)NN CSC011221127 [0,1,0,0,0,0|3,0,0]=4 26 B9R0.46 CCCCCCC(=O)OC CSC011215249 [0,1,0,0,0,0|1,0,0]=2 27 B9R0.46 CCCCCNC(=O)CC CSC000157985 [0,1,0,0,0,0|2,0,0]=3 28 B9R0.46 CCCCCOC(=O)CC CSC000031694 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.46 CNC(=O)NCCCOC CSC000235188 [0,1,0,0,0,0|1,1,0]=3 30 B9R0.46 COC(=O)CSCCC#N CSC000151555 [0,1,0,0,0,0|2,0,0]=3 31 B9R0.47 CCCCCC(=O)N(C)C CSC011216143 [0,1,0,0,0,0|2,0,0]=3 32 B9R0.47 CCCCNC(=O)C(C)C CSC000242797 [0,1,0,0,0,0|3,0,0]=4 33 B9R0.47 CCCCNC(=O)N(C)C CSC000178555 [0,1,0,0,0,0|3,0,0]=4 34 B9R0.47 CCCCOC(=O)C(C)C CSC011212254 [0,1,0,0,0,0|3,0,0]=4 35 B9R0.47 COCCNC(=O)C(C)C CSC000242828 [0,1,0,0,0,0|2,1,0]=4 36 B9R1.11 CNC(=O)C1CCSC1 CSC012026102 [0,0,0,1,0,0|1,0,0]=2 37 B9R1.11 COC(=O)C1CCCS1 CSC012019181 [0,0,0,1,0,0|2,0,0]=3 38 B6R0.1 CCCC(=O)NO CSC000190123 [2,0,0,0,0,0|2,0,0]=4 39 B8R0.4 CCCCCCCSC CSC000033844 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.4 CCCCCCSCC CSC000073868 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.4 CSCCCCCCO CSC012179070 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.4 CSCCCCCSC CSC009866234 [1,1,0,0,0,0|0,1,1]=4 43 B8R0.9 COC(=O)CSC(C)C CSC000151538 [1,1,0,0,0,0|1,0,0]=3 44 B8R0.25 CCCCS(=O)(=O)CC CSC000047449 [1,1,0,0,0,0|2,0,0]=4 45 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,2,0,0,0,0|1,0,0]=3 46 B10R0.3 CCOC(=O)CSCC(=O)C CSC000172134 [0,2,0,0,0,0|2,0,0]=4 47 B10R0.3 COCC(=O)NCCC(C)C CSC000159411 [0,2,0,0,0,0|2,0,0]=4 48 B10R0.3 COCC(=O)NCCN(C)C CSC000160002 [0,2,0,0,0,0|2,0,0]=4 49 B10R0.59 COC(=O)CCCC(=O)OC CSC000037473 [0,2,0,0,0,0|0,1,0]=3 50 B10R0.59 COC(=O)COCC(=O)OC CSC000054108 [0,2,0,0,0,0|0,1,1]=4 51 B10R0.59 COC(=O)CSCC(=O)OC CSC000151545 [0,2,0,0,0,0|0,1,1]=4 52 B10R0.60 COC(=O)CCCS(=O)(=O)N CSC000756010 [0,2,0,0,0,0|1,0,1]=4 53 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,2,0,0,0,0|1,0,0]=3 54 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [0,2,0,0,0,0|2,0,0]=4 55 B10R0.1 CCCCCNC(=O)COC CSC000157996 [0,2,0,0,0,0|1,0,0]=3 56 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [0,2,0,0,0,0|2,0,0]=4 57 B10R0.1 CCOC(=O)CCSCCO CSC011325821 [0,2,0,0,0,0|2,0,0]=4 58 B10R0.1 COCCCNC(=O)COC CSC000159247 [0,2,0,0,0,0|0,1,0]=3 59 B10R0.2 CCCC(C)NC(=O)COC CSC000208403 [0,2,0,0,0,0|2,0,0]=4 60 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,2,0,0,0,0|1,0,0]=3 61 B10R0.2 COCC(C)NC(=O)COC CSC000161538 [0,2,0,0,0,0|1,1,0]=4 62 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [0,2,0,0,0,0|1,0,0]=3 63 B10R0.83 COC(=O)C(C)CSCCO CSC011325816 [0,2,0,0,0,0|2,0,0]=4 64 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [0,2,0,0,0,0|1,0,0]=3 65 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,2,0,0,0,0|1,0,0]=3 66 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC CSC000720999 [0,2,0,0,0,0|0,1,1]=4 67 B10R0.46 COC(=O)C[C@H](O)C(=O)OC CSC015190871 [0,2,0,0,0,0|0,1,1]=4 68 B10R0.85 CCCCC(CC)C(=O)NC CSC011221039 [0,2,0,0,0,0|2,0,0]=4 69 B10R0.85 CCCCC(CC)C(=O)OC CSC011302608 [0,2,0,0,0,0|1,0,0]=3 70 B10R0.55 CCC(=O)NCCCN(C)C CSC000159970 [0,2,0,0,0,0|2,0,0]=4 71 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [0,2,0,0,0,0|1,0,0]=3 72 B10R0.74 CCCCCCNC(=O)NC CSC000235370 [0,2,0,0,0,0|2,0,0]=4 73 B10R0.74 CCOCCCNC(=O)CC CSC000161224 [0,2,0,0,0,0|1,1,0]=4 74 B10R0.74 CCOCCSCC(=O)OC CSC000001124 [0,2,0,0,0,0|0,1,0]=3 75 B10R0.75 CCCCCCC(=O)N(C)C CSC011221090 [0,2,0,0,0,0|2,0,0]=4 76 B10R0.75 CCCCCNC(=O)C(C)C CSC011195860 [0,2,0,0,0,0|2,0,0]=4 77 B10R0.75 CCCCCOC(=O)C(C)C CSC000054037 [0,2,0,0,0,0|2,0,0]=4 78 B10R0.75 COCCCNC(=O)C(C)C CSC000242807 [0,2,0,0,0,0|1,1,0]=4 79 B10R1.14 CNC(=O)C1COC(C1)C CSC013751935 [0,1,0,1,0,0|1,1,0]=4 80 B10R1.14 COC(=O)C1CCC(C1)C CSC010443940 [0,1,0,1,0,0|1,0,0]=3 81 B10R1.11 CCNC(=O)C1CCNC1 CSC011790733 [0,1,0,1,0,0|2,0,0]=4 82 B10R1.11 CCNC(=O)C1CCOC1 CSC011558105 [0,1,0,1,0,0|1,1,0]=4 83 B10R1.11 CCNC(=O)C1CSCN1 CSC011222803 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.11 CCNC(=O)[C@@H]1CCNC1 CSC018701730 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.11 CCNC(=O)[C@H]1CCNC1 CSC015592258 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.11 CCNC(=O)[C@H]1CSCN1 CSC046269313 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.11 CCOC(=O)C1CC=CC1 CSC011934596 [0,1,0,1,0,0|1,0,1]=4 88 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.11 CCOC(=O)C1CCSC1 CSC012019184 [0,1,0,1,0,0|0,0,0]=2 90 B10R1.11 COCC(=O)N1CCCC1 CSC000158196 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [0,1,0,1,0,0|1,0,0]=3 92 B10R1.15 CCC(=O)N1CCCCC1 CSC000157697 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.15 CCC(=O)N1CCCOC1 CSC015458340 [0,1,0,1,0,0|1,1,0]=4 94 B10R1.15 CNC(=O)C1CCCCC1 CSC000159838 [0,1,0,1,0,0|2,0,0]=4 95 B10R1.15 CNC(=O)C1CCCCO1 CSC012026083 [0,1,0,1,0,0|2,0,0]=4 96 B10R1.15 CNC(=O)C1CCCOC1 CSC000698928 [0,1,0,1,0,0|1,1,0]=4 97 B10R1.15 CNC(=O)C1CCSCC1 CSC016062598 [0,1,0,1,0,0|1,0,0]=3 98 B10R1.15 COC(=O)C1=CCCCC1 CSC011219632 [0,1,0,1,0,0|1,0,1]=4 99 B10R1.15 COC(=O)C1CCC=CC1 CSC000148649 [0,1,0,1,0,0|1,0,0]=3 100 B10R1.15 COC(=O)C1CCCCC1 CSC000148678 [0,1,0,1,0,0|1,0,0]=3 101 B10R1.15 COC(=O)C1CCCCO1 CSC011625642 [0,1,0,1,0,0|1,0,0]=3 102 B10R1.15 COC(=O)C1CCCOC1 CSC011744426 [0,1,0,1,0,0|0,1,0]=3 103 B10R1.15 COC(=O)C1CCOCC1 CSC000193737 [0,1,0,1,0,0|0,1,0]=3 104 B10R1.15 COC(=O)C1CCSCC1 CSC000070458 [0,1,0,1,0,0|0,0,0]=2 105 B10R1.15 COC(=O)C1COCCO1 CSC011294760 [0,1,0,1,0,0|0,1,0]=3 106 B10R1.15 COC(=O)N1CCCCC1 CSC000235962 [0,1,0,1,0,0|1,0,0]=3 107 B10R1.15 COC(=O)N1CCNCC1 CSC000746444 [0,1,0,1,0,0|2,0,0]=4 108 B10R1.411 CNC(=O)C1(CCNC1)C CSC000725546 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.411 CNC(=O)C1(CCOC1)C CSC015769028 [0,1,0,1,0,0|1,1,0]=4 110 B10R1.411 COC(=O)C1(CCCC1)C CSC000240993 [0,1,0,1,0,0|1,0,0]=3 111 B10R1.411 COC(=O)C1(CCOC1)C CSC010742998 [0,1,0,1,0,0|0,1,0]=3 112 B10R1.27 CCC(=O)NC1CCCC1 CSC000160926 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.27 CNC(=O)CC1CCCN1 CSC011463786 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.27 CNC(=O)CC1CCCO1 CSC011295658 [0,1,0,1,0,0|2,0,0]=4 115 B10R1.27 CNC(=O)NC1CCCC1 CSC000235269 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.27 COC(=O)CC1CCCC1 CSC000148925 [0,1,0,1,0,0|1,0,0]=3 117 B10R1.27 COC(=O)CC1CCCO1 CSC000244803 [0,1,0,1,0,0|1,0,0]=3 118 B10R1.27 OCC(=O)NC1CCSC1 CSC016126048 [0,1,0,1,0,0|2,0,0]=4 119 B10R1.149 CNC(=O)C1CCCN1C CSC000054904 [0,1,0,1,0,0|2,0,0]=4 120 B10R1.149 CNC(=O)C1CCOC1C CSC012638678 [0,1,0,1,0,0|1,1,0]=4 121 B10R1.149 CNC(=O)[C@H]1CNC[C@@H]1C [0,1,0,1,0,0|2,0,0]=4 122 B10R1.149 COC(=O)C1CCCC1C CSC013347292 [0,1,0,1,0,0|1,0,0]=3 123 B10R1.23 CN(C)C(=O)C1CCCC1 CSC000159596 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.23 CN(C)C(=O)C1CCOC1 CSC011569559 [0,1,0,1,0,0|1,1,0]=4 125 B10R1.23 CN(C)C(=O)C1CSCN1 CSC000749078 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.23 CN(C)C(=O)[C@H]1CSCN1 CSC046189019 [0,1,0,1,0,0|2,0,0]=4