0 B8R0.6 CCCSCC(=O)OC CSC000151543 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.6 COC(=O)CCCSC CSC011216297 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.6 COC(=O)CSCC#N CSC000151542 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.6 COC(=O)CSCC=C CSC000151546 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.1 CCSCCSCC CSC000031094 [1,0,0,0,0,0|3,0,0]=4 5 B9R0.1 CCC(=O)NCCC(C)C CSC000159400 [0,1,0,0,0,0|2,0,0]=3 6 B9R0.1 COC(=O)CCCC(=O)C CSC000015542 [0,1,0,0,0,0|0,0,1]=2 7 B9R0.1 COC(=O)CSCC(=O)C CSC000151549 [0,1,0,0,0,0|1,0,1]=3 8 B9R0.1 COC(=O)CSCC(C)C CSC000151547 [0,1,0,0,0,0|1,0,0]=2 9 B9R0.5 CCCC(=O)NCCSC CSC000161292 [0,1,0,0,0,0|3,0,0]=4 10 B9R0.5 CCCCCC(=O)OCC CSC000170156 [0,1,0,0,0,0|0,0,0]=1 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|1,0,0]=2 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|2,0,0]=3 15 B9R0.5 CCNC(=O)NCCOC CSC000163157 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [0,1,0,0,0,0|1,0,1]=3 17 B9R0.5 CCOC(=O)CSCC#N CSC000172129 [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 COC(=O)N(C)CCCN CSC000739217 [0,1,0,0,0,0|2,0,0]=3 21 B9R0.20 CCCCCS(=O)(=O)CC CSC009861012 [0,1,0,0,0,0|2,0,0]=3 22 B9R0.20 CCCCNS(=O)(=O)CC CSC000169618 [0,1,0,0,0,0|3,0,0]=4 23 B9R0.20 CCSCCS(=O)(=O)CC CSC000077101 [0,1,0,0,0,0|3,0,0]=4 24 B9R0.24 CCC(C)CCC(=O)OC CSC000079262 [0,1,0,0,0,0|0,0,0]=1 25 B9R0.34 CCCC(C)NC(=O)CC CSC000174104 [0,1,0,0,0,0|2,0,0]=3 26 B9R0.34 CCCC(C)NC(=O)OC CSC000236099 [0,1,0,0,0,0|1,0,0]=2 27 B9R0.34 CCCC(O)CC(=O)OC CSC000065524 [0,1,0,0,0,0|0,0,0]=1 28 B9R0.46 CCC(=O)NCCCOC CSC000159236 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.46 CCCCCCC(=O)NN CSC011221127 [0,1,0,0,0,0|2,0,0]=3 30 B9R0.46 CCCCCCC(=O)OC CSC011215249 [0,1,0,0,0,0|0,0,0]=1 31 B9R0.46 CCCCCNC(=O)CC CSC000157985 [0,1,0,0,0,0|1,0,0]=2 32 B9R0.46 CCCCCOC(=O)CC CSC000031694 [0,1,0,0,0,0|1,0,0]=2 33 B9R0.46 CNC(=O)NCCCOC CSC000235188 [0,1,0,0,0,0|2,0,0]=3 34 B9R0.46 COC(=O)CSCCC#N CSC000151555 [0,1,0,0,0,0|1,0,1]=3 35 B9R0.47 CCCCCC(=O)N(C)C CSC011216143 [0,1,0,0,0,0|1,0,0]=2 36 B9R0.47 CCCCNC(=O)C(=O)N CSC000124963 [0,1,0,0,0,0|3,0,0]=4 37 B9R0.47 CCCCNC(=O)C(C)C CSC000242797 [0,1,0,0,0,0|2,0,0]=3 38 B9R0.47 CCCCNC(=O)N(C)C CSC000178555 [0,1,0,0,0,0|2,0,0]=3 39 B9R0.47 CCCCOC(=O)C(C)C CSC011212254 [0,1,0,0,0,0|2,0,0]=3 40 B9R0.47 COCCNC(=O)C(C)C CSC000242828 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.1 CCN1CCS(=O)CC1 CSC046116413 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.11 CNC(=O)C1CCSC1 CSC012026102 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.11 COC(=O)C1CCCS1 CSC012019181 [0,0,0,1,0,0|1,0,0]=2 44 B9R1.80 ClCC(=O)NCC1CC1 CSC000736049 [0,0,0,1,0,0|3,0,0]=4 45 B6R0.1 CCCC(=O)NO CSC000190123 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.4 CCCCCCCSC CSC000033844 [1,1,0,0,0,0|0,1,1]=4 47 B8R0.4 CCCCCCSCC CSC000073868 [1,1,0,0,0,0|0,1,1]=4 48 B8R0.4 CCCCCSCCO CSC011215970 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.4 CCCCSCCCC CSC000025195 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.4 CSCCCCCCO CSC012179070 [1,1,0,0,0,0|0,1,1]=4 51 B8R0.4 CSCCCCCSC CSC009866234 [1,1,0,0,0,0|0,1,1]=4 52 B8R0.9 COC(=O)CSC(C)C CSC000151538 [1,1,0,0,0,0|1,0,0]=3 53 B8R0.25 CCCCS(=O)(=O)CC CSC000047449 [1,1,0,0,0,0|2,0,0]=4 54 B8R0.21 CCCCNS(=O)(=O)C CSC000169617 [1,1,0,0,0,0|2,0,0]=4 55 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [0,2,0,0,0,0|2,0,0]=4 56 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,2,0,0,0,0|0,0,1]=3 57 B10R0.3 CCOC(=O)CSCC(=O)C CSC000172134 [0,2,0,0,0,0|1,0,1]=4 58 B10R0.3 CNCC(=O)NCCC(C)C CSC000213094 [0,2,0,0,0,0|2,0,0]=4 59 B10R0.3 COCC(=O)NCCC(C)C CSC000159411 [0,2,0,0,0,0|1,0,0]=3 60 B10R0.3 COCC(=O)NCCN(C)C CSC000160002 [0,2,0,0,0,0|2,0,0]=4 61 B10R0.59 COC(=O)CCCC(=O)OC CSC000037473 [0,2,0,0,0,0|0,0,1]=3 62 B10R0.59 COC(=O)COCC(=O)OC CSC000054108 [0,2,0,0,0,0|1,0,1]=4 63 B10R0.59 COC(=O)CSCC(=O)OC CSC000151545 [0,2,0,0,0,0|1,0,1]=4 64 B10R0.60 COC(=O)CCCS(=O)(=O)N CSC000756010 [0,2,0,0,0,0|2,0,0]=4 65 B10R0.60 COC(=O)CSCC(F)(F)F CSC000044420 [0,2,0,0,0,0|2,0,0]=4 66 B10R0.98 CC(C)CCNC(=O)C(C)C CSC000171972 [0,2,0,0,0,0|2,0,0]=4 67 B10R0.98 CC(C)CCOC(=O)C(C)C CSC000024460 [0,2,0,0,0,0|2,0,0]=4 68 B10R0.1 CCCC(=O)OCCCCO CSC000073227 [0,2,0,0,0,0|2,0,0]=4 69 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,2,0,0,0,0|0,0,0]=2 70 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [0,2,0,0,0,0|1,0,0]=3 71 B10R0.1 CCCCCNC(=O)COC CSC000157996 [0,2,0,0,0,0|0,0,0]=2 72 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [0,2,0,0,0,0|1,0,0]=3 73 B10R0.1 CCOC(=O)CCSCCO CSC011325821 [0,2,0,0,0,0|1,0,0]=3 74 B10R0.1 COCCCNC(=O)COC CSC000159247 [0,2,0,0,0,0|1,0,0]=3 75 B10R0.2 CCCC(C)NC(=O)CNC CSC000225643 [0,2,0,0,0,0|2,0,0]=4 76 B10R0.2 CCCC(C)NC(=O)COC CSC000208403 [0,2,0,0,0,0|1,0,0]=3 77 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,2,0,0,0,0|0,0,0]=2 78 B10R0.2 COCC(C)NC(=O)COC CSC000161538 [0,2,0,0,0,0|2,0,0]=4 79 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [0,2,0,0,0,0|0,0,0]=2 80 B10R0.6 CCCCOC(=O)CC(C)C CSC011212304 [0,2,0,0,0,0|2,0,0]=4 81 B10R0.83 CCCCNC(=O)C(=O)NC CSC016213076 [0,2,0,0,0,0|1,0,1]=4 82 B10R0.83 COC(=O)C(C)CSCCO CSC011325816 [0,2,0,0,0,0|1,0,0]=3 83 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [0,2,0,0,0,0|0,0,0]=2 84 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,2,0,0,0,0|0,0,0]=2 85 B10R0.91 CCCCNC(=O)NCC=C CSC000178633 [0,2,0,0,0,0|2,0,0]=4 86 B10R0.91 CCCCNC(=O)NCCC CSC000163429 [0,2,0,0,0,0|2,0,0]=4 87 B10R0.108 CCOC(=O)NCC(=O)OC CSC000161429 [0,2,0,0,0,0|1,0,1]=4 88 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC CSC000720999 [0,2,0,0,0,0|1,0,1]=4 89 B10R0.46 COC(=O)C[C@H](O)C(=O)OC CSC015190871 [0,2,0,0,0,0|1,0,1]=4 90 B10R0.85 CCCCC(CC)C(=O)NC CSC011221039 [0,2,0,0,0,0|1,0,0]=3 91 B10R0.85 CCCCC(CC)C(=O)NN CSC011221128 [0,2,0,0,0,0|2,0,0]=4 92 B10R0.85 CCCCC(CC)C(=O)OC CSC011302608 [0,2,0,0,0,0|0,0,0]=2 93 B10R0.62 CCCCCNS(=O)(=O)CC CSC000180710 [0,2,0,0,0,0|2,0,0]=4 94 B10R0.26 CCCC(C)NC(=O)C(C)C CSC000172014 [0,2,0,0,0,0|2,0,0]=4 95 B10R0.55 CCC(=O)NCCCN(C)C CSC000159970 [0,2,0,0,0,0|2,0,0]=4 96 B10R0.74 CCC=CCCOC(=O)CC CSC020656764 [0,2,0,0,0,0|1,0,1]=4 97 B10R0.74 CCCCCCCC(=O)NN CSC000181853 [0,2,0,0,0,0|2,0,0]=4 98 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [0,2,0,0,0,0|0,0,0]=2 99 B10R0.74 CCCCCCNC(=O)NC CSC000235370 [0,2,0,0,0,0|1,0,0]=3 100 B10R0.74 CCOCCCNC(=O)CC CSC000161224 [0,2,0,0,0,0|1,0,0]=3 101 B10R0.74 CCOCCSCC(=O)OC CSC000001124 [0,2,0,0,0,0|0,0,0]=2 102 B10R0.75 CCCCCCC(=O)N(C)C CSC011221090 [0,2,0,0,0,0|1,0,0]=3 103 B10R0.75 CCCCCNC(=O)C(=O)N CSC048324000 [0,2,0,0,0,0|2,0,0]=4 104 B10R0.75 CCCCCNC(=O)C(C)C CSC011195860 [0,2,0,0,0,0|1,0,0]=3 105 B10R0.75 CCCCCOC(=O)C(C)C CSC000054037 [0,2,0,0,0,0|1,0,0]=3 106 B10R0.75 CCOCCOC(=O)C(C)C CSC000005785 [0,2,0,0,0,0|2,0,0]=4 107 B10R0.75 COCCCNC(=O)C(C)C CSC000242807 [0,2,0,0,0,0|2,0,0]=4 108 B10R0.5 CCCCNC(=O)C(C)(C)C CSC011197060 [0,2,0,0,0,0|2,0,0]=4 109 B10R0.5 CCCCOC(=O)C(C)(Cl)Cl CSC000077209 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.14 CNC(=O)C1COC(C1)C CSC013751935 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.14 COC(=O)C1CCC(C1)C CSC010443940 [0,1,0,1,0,0|0,0,0]=2 112 B10R1.11 CCNC(=O)C1CCCN1 CSC011197115 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.11 CCNC(=O)C1CCNC1 CSC011790733 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.11 CCNC(=O)C1CCOC1 CSC011558105 [0,1,0,1,0,0|2,0,0]=4 115 B10R1.11 CCNC(=O)[C@@H]1CCCN1 CSC011422904 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.11 CCNC(=O)[C@@H]1CCNC1 CSC018701730 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.11 CCNC(=O)[C@H]1CCNC1 CSC015592258 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.11 CCOC(=O)C1=CCCC1 CSC009876662 [0,1,0,1,0,0|0,0,2]=4 119 B10R1.11 CCOC(=O)C1CC=CC1 CSC011934596 [0,1,0,1,0,0|0,0,2]=4 120 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [0,1,0,1,0,0|1,0,0]=3 121 B10R1.11 CCOC(=O)C1CCSC1 CSC012019184 [0,1,0,1,0,0|1,0,0]=3 122 B10R1.11 COCC(=O)N1CCCC1 CSC000158196 [0,1,0,1,0,0|1,0,0]=3 123 B10R1.11 NCCC(=O)N1CCCC1 CSC000195578 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.137 CCNC(=O)NC1CCC1 CSC011910442 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [0,1,0,1,0,0|0,0,0]=2 126 B10R1.186 CCCCNC(=O)C1CC1 CSC000159052 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.15 CCC(=O)N1CCCCC1 CSC000157697 [0,1,0,1,0,0|1,0,0]=3 128 B10R1.15 CCC(=O)N1CCCOC1 CSC015458340 [0,1,0,1,0,0|2,0,0]=4 129 B10R1.15 CCC(=O)N1CCOCC1 CSC000158654 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.15 CCS(=O)C1CCCOC1 CSC015420257 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.15 CNC(=O)C1CCCCC1 CSC000159838 [0,1,0,1,0,0|1,0,0]=3 132 B10R1.15 CNC(=O)C1CCCCO1 CSC012026083 [0,1,0,1,0,0|1,0,0]=3 133 B10R1.15 CNC(=O)C1CCCOC1 CSC000698928 [0,1,0,1,0,0|1,0,0]=3 134 B10R1.15 CNC(=O)C1CCSCC1 CSC016062598 [0,1,0,1,0,0|1,0,0]=3 135 B10R1.15 CNC(=O)N1CCOCC1 CSC000235105 [0,1,0,1,0,0|2,0,0]=4 136 B10R1.15 COC(=O)C1=CCCCC1 CSC011219632 [0,1,0,1,0,0|0,0,1]=3 137 B10R1.15 COC(=O)C1CCC=CC1 CSC000148649 [0,1,0,1,0,0|0,0,1]=3 138 B10R1.15 COC(=O)C1CCCCC1 CSC000148678 [0,1,0,1,0,0|0,0,0]=2 139 B10R1.15 COC(=O)C1CCCCO1 CSC011625642 [0,1,0,1,0,0|0,0,0]=2 140 B10R1.15 COC(=O)C1CCCOC1 CSC011744426 [0,1,0,1,0,0|0,0,0]=2 141 B10R1.15 COC(=O)C1CCOCC1 CSC000193737 [0,1,0,1,0,0|0,0,0]=2 142 B10R1.15 COC(=O)C1CCSCC1 CSC000070458 [0,1,0,1,0,0|0,0,0]=2 143 B10R1.15 COC(=O)C1COCCO1 CSC011294760 [0,1,0,1,0,0|1,0,0]=3 144 B10R1.15 COC(=O)N1CCCCC1 CSC000235962 [0,1,0,1,0,0|0,0,0]=2 145 B10R1.15 COC(=O)N1CCNCC1 CSC000746444 [0,1,0,1,0,0|1,0,0]=3 146 B10R1.15 OCC(=O)N1CCCCC1 CSC011315646 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.411 CNC(=O)C1(CCCN1)C CSC012063106 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.411 CNC(=O)C1(CCNC1)C CSC000725546 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.411 CNC(=O)C1(CCOC1)C CSC015769028 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.411 COC(=O)C1(CCCC1)C CSC000240993 [0,1,0,1,0,0|0,0,0]=2 151 B10R1.411 COC(=O)C1(CCOC1)C CSC010742998 [0,1,0,1,0,0|1,0,0]=3 152 B10R1.27 CCC(=O)NC1CCCC1 CSC000160926 [0,1,0,1,0,0|1,0,0]=3 153 B10R1.27 CNC(=O)CC1CCCN1 CSC011463786 [0,1,0,1,0,0|1,0,0]=3 154 B10R1.27 CNC(=O)CC1CCCO1 CSC011295658 [0,1,0,1,0,0|1,0,0]=3 155 B10R1.27 CNC(=O)NC1CCCC1 CSC000235269 [0,1,0,1,0,0|1,0,0]=3 156 B10R1.27 COC(=O)CC1CCCC1 CSC000148925 [0,1,0,1,0,0|0,0,0]=2 157 B10R1.27 COC(=O)CC1CCCO1 CSC000244803 [0,1,0,1,0,0|0,0,0]=2 158 B10R1.27 ClCC(=O)NC1CCCC1 CSC000183512 [0,1,0,1,0,0|2,0,0]=4 159 B10R1.27 NCC(=O)NC1CCCC1 CSC000168434 [0,1,0,1,0,0|2,0,0]=4 160 B10R1.131 CCCC1=NN(C(=O)C1)C CSC000175193 [0,1,0,1,0,0|1,0,1]=4 161 B10R1.149 CNC(=O)C1CCCN1C CSC000054904 [0,1,0,1,0,0|1,0,0]=3 162 B10R1.149 CNC(=O)C1CCOC1C CSC012638678 [0,1,0,1,0,0|1,0,0]=3 163 B10R1.149 CNC(=O)[C@H]1CNC[C@@H]1C [0,1,0,1,0,0|1,0,0]=3 164 B10R1.149 COC(=O)C1CCCC1C CSC013347292 [0,1,0,1,0,0|0,0,0]=2 165 B10R1.23 CC(C)C(=O)N1CCCC1 CSC000171300 [0,1,0,1,0,0|2,0,0]=4 166 B10R1.23 CC(O)C(=O)N1CCCC1 CSC011315629 [0,1,0,1,0,0|2,0,0]=4 167 B10R1.23 CN(C)C(=O)C1CCCC1 CSC000159596 [0,1,0,1,0,0|1,0,0]=3 168 B10R1.23 CN(C)C(=O)C1CCCN1 CSC000234351 [0,1,0,1,0,0|2,0,0]=4 169 B10R1.23 CN(C)C(=O)C1CCCO1 CSC000159446 [0,1,0,1,0,0|2,0,0]=4 170 B10R1.23 CN(C)C(=O)C1CCOC1 CSC011569559 [0,1,0,1,0,0|2,0,0]=4 171 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 CSC013112920 [0,1,0,1,0,0|2,0,0]=4 172 B10R1.23 CN(C)C(=O)[C@H]1CCCO1 CSC013059912 [0,1,0,1,0,0|2,0,0]=4 173 B10R1.23 C[C@@H](O)C(=O)N1CCCC1 CSC009825761 [0,1,0,1,0,0|2,0,0]=4 174 B10R1.23 C[C@H](O)C(=O)N1CCCC1 CSC009854435 [0,1,0,1,0,0|2,0,0]=4 175 B10R1.204 CC(N)C(=O)NC1CCC1 CSC011664422 [0,1,0,1,0,0|2,0,0]=4 176 B10R1.204 C[C@@H](N)C(=O)NC1CCC1 CSC011664423 [0,1,0,1,0,0|2,0,0]=4 177 B10R1.204 C[C@@H](O)C(=O)NC1CCC1 CSC015314306 [0,1,0,1,0,0|2,0,0]=4 178 B10R1.204 C[C@H](N)C(=O)NC1CCC1 CSC011664417 [0,1,0,1,0,0|2,0,0]=4 179 B10R1.204 C[C@H](O)C(=O)NC1CCC1 CSC015378953 [0,1,0,1,0,0|2,0,0]=4