0 B8R0.6 CCCSCC(=O)OC CSC000151543 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.6 COC(=O)CCCSC CSC011216297 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 CCSCCSCC CSC000031094 [1,0,0,0,0,0|2,0,0]=3 3 B9R0.1 CCC(=O)NCCC(C)C CSC000159400 [0,1,0,0,0,0|1,0,2]=4 4 B9R0.5 CCCCCC(=O)OCC CSC000170156 [0,1,0,0,0,0|0,0,2]=3 5 B9R0.5 CCCCNC(=O)CNC CSC000213093 [0,1,0,0,0,0|1,0,2]=4 6 B9R0.5 CCCCNC(=O)COC CSC000159063 [0,1,0,0,0,0|1,0,2]=4 7 B9R0.5 CCCCNC(=O)NCC CSC000163430 [0,1,0,0,0,0|1,0,2]=4 8 B9R0.5 CCCCOC(=O)CCC CSC011212260 [0,1,0,0,0,0|1,0,2]=4 9 B9R0.5 COCCNC(C)COC CSC000743196 [0,1,0,0,0,0|3,0,0]=4 10 B9R0.8 CCCOC(=O)C(C)CC CSC011213261 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.20 CCCCCS(=O)(=O)CC CSC009861012 [0,1,0,0,0,0|1,0,1]=3 12 B9R0.20 CCCCNS(=O)(=O)CC CSC000169618 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.20 CCSCCS(=O)(=O)CC CSC000077101 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.24 CCC(C)CCC(=O)OC CSC000079262 [0,1,0,0,0,0|1,0,2]=4 15 B9R0.34 CCCC(=O)OC(C)CC CSC000062825 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.34 CCCC(C)NC(=O)CC CSC000174104 [0,1,0,0,0,0|1,0,2]=4 17 B9R0.34 CCCC(O)CC(=O)OC CSC000065524 [0,1,0,0,0,0|1,0,2]=4 18 B9R0.34 CCOC(=O)CC(C)CC CSC011218107 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.46 CCC(=O)NCCCOC CSC000159236 [0,1,0,0,0,0|1,0,2]=4 20 B9R0.46 CCCCCCC(=O)OC CSC011215249 [0,1,0,0,0,0|1,0,2]=4 21 B9R0.46 CCCCCNC(=O)CC CSC000157985 [0,1,0,0,0,0|0,0,2]=3 22 B9R0.46 CCCCCOC(=O)CC CSC000031694 [0,1,0,0,0,0|0,0,2]=3 23 B9R0.46 CCCCSCC(O)CO CSC011995958 [0,1,0,0,0,0|1,0,0]=2 24 B9R0.47 CCCCCC(=O)N(C)C CSC011216143 [0,1,0,0,0,0|1,0,2]=4 25 B9R0.47 CCCCNC(=O)C(C)C CSC000242797 [0,1,0,0,0,0|1,0,2]=4 26 B9R0.47 CCCCOC(=O)C(C)C CSC011212254 [0,1,0,0,0,0|1,0,2]=4 27 B9R0.50 CCC(CC)NCCOC CSC000739274 [0,1,0,0,0,0|3,0,0]=4 28 B9R0.50 CCOCCN(CC)CC CSC000224614 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.1 CCN1CCS(=O)CC1 CSC046116413 [0,0,0,1,0,0|2,0,1]=4 30 B8R0.1 CCCCS(=O)CCO CSC000117714 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.4 CCCCCCCSC CSC000033844 [1,1,0,0,0,0|0,0,0]=2 32 B8R0.4 CCCCCCSCC CSC000073868 [1,1,0,0,0,0|0,0,0]=2 33 B8R0.4 CCCCCSCCO CSC011215970 [1,1,0,0,0,0|1,0,0]=3 34 B8R0.4 CCCCSCCCC CSC000025195 [1,1,0,0,0,0|0,0,0]=2 35 B8R0.4 CCSCCOCCO CSC011409966 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.4 CSCCCCCCO CSC012179070 [1,1,0,0,0,0|1,0,0]=3 37 B8R0.4 CSCCCCCSC CSC009866234 [1,1,0,0,0,0|1,0,0]=3 38 B8R0.7 CCCCSCC(=C)C CSC000026947 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.7 CCCCSCC(C)C CSC000018356 [1,1,0,0,0,0|1,0,0]=3 40 B8R0.25 CCCCS(=O)(=O)CC CSC000047449 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.28 CC(C)CSCC(C)C CSC000031121 [1,1,0,0,0,0|2,0,0]=4 42 B10R0.77 CCN(CC)CCCC(C)O CSC011215860 [0,2,0,0,0,0|2,0,0]=4 43 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,2,0,0,0,0|0,0,2]=4 44 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [0,2,0,0,0,0|0,0,2]=4 45 B10R0.1 CCCCCNC(=O)COC CSC000157996 [0,2,0,0,0,0|0,0,2]=4 46 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [0,2,0,0,0,0|0,0,2]=4 47 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,2,0,0,0,0|0,0,2]=4 48 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [0,2,0,0,0,0|0,0,2]=4 49 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,2,0,0,0,0|0,0,2]=4 50 B10R0.62 CCCCCNS(=O)(=O)CC CSC000180710 [0,2,0,0,0,0|1,0,1]=4 51 B10R0.41 CCN(CC)CCCCCO CSC011629222 [0,2,0,0,0,0|2,0,0]=4 52 B10R0.74 CCOCCCNC(=O)CC CSC000161224 [0,2,0,0,0,0|0,0,2]=4 53 B10R0.75 CCCCCNC(=O)C(C)C CSC011195860 [0,2,0,0,0,0|0,0,2]=4 54 B10R0.75 CCCCCOC(=O)C(C)C CSC000054037 [0,2,0,0,0,0|0,0,2]=4 55 B10R1.13 CC(C)N1CCC(CC1)C CSC046179136 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.13 CC(C)N1CCC(CC1)N CSC000198580 [0,1,0,1,0,0|2,0,0]=4 57 B10R1.13 CC(C)N1CCC(CC1)O CSC000209593 [0,1,0,1,0,0|1,0,0]=3 58 B10R1.14 CCC(C)N1CCC(C1)C CSC016127000 [0,1,0,1,0,0|2,0,0]=4 59 B10R1.31 CCC1CCN(C1)C(C)C CSC047298775 [0,1,0,1,0,0|2,0,0]=4 60 B10R1.54 CC(C)CN1CCC(C1)C CSC047749369 [0,1,0,1,0,0|2,0,0]=4 61 B10R1.54 CC(C)CN1CC[C@@H](C1)N CSC012183901 [0,1,0,1,0,0|2,0,0]=4 62 B10R1.54 CC(C)NC1CCC(C1)C CSC012091168 [0,1,0,1,0,0|2,0,0]=4 63 B10R1.54 CC(N)CN1CCC(C1)N CSC046122945 [0,1,0,1,0,0|2,0,0]=4 64 B10R1.54 CC(N)CN1CC[C@@H](C1)N CSC046127439 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.54 CC(N)CN1CC[C@H](C1)N CSC046148576 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.150 CCC(C)CN1CC(C1)C CSC016021867 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.150 CCC(C)CN1CC(C1)F CSC015414715 [0,1,0,1,0,0|2,0,0]=4 68 B10R1.150 CCC(C)NC1CC(C1)C CSC013186805 [0,1,0,1,0,0|2,0,0]=4 69 B10R1.168 CCC1CN(C1)CC(C)C CSC047705990 [0,1,0,1,0,0|2,0,0]=4 70 B10R1.171 CCN1CCCC(C1)(C)C CSC046134827 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.194 CC(C)N1CCC(C1C)C CSC046140214 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.197 CCN1CCCC(CC1)C CSC015405514 [0,1,0,1,0,0|1,0,0]=3 73 B10R1.197 CCN1CCSC(CC1)C CSC046115505 [0,1,0,1,0,0|2,0,0]=4 74 B10R1.428 CCC(C)NC1CC1(C)C CSC011568050 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.10 CCCN1CCCC(C1)C CSC047234187 [0,1,0,1,0,0|2,0,0]=4 76 B10R1.10 CCCN1CCCC(C1)N CSC011435248 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.10 CCCN1CCSC(C1)C CSC047903786 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.10 CCNC1CCCC(C1)C CSC000201243 [0,1,0,1,0,0|1,0,0]=3 79 B10R1.10 NCCN1CCCC(C1)O CSC011318664 [0,1,0,1,0,0|2,0,0]=4 80 B10R1.10 NCCN1CCC[C@H](C1)O CSC010278773 [0,1,0,1,0,0|2,0,0]=4 81 B10R1.11 CCCN(C)C1CCCC1 CSC048500926 [0,1,0,1,0,0|2,0,0]=4 82 B10R1.11 CCNC(C)C1CCCC1 CSC011351776 [0,1,0,1,0,0|1,0,0]=3 83 B10R1.19 CCN1CCSCCC1C CSC046211526 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.21 CCCCNC1CCCC1 CSC000200677 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.25 CCN1CC[C@H](C[C@H]1C)C [0,1,0,1,0,0|2,0,0]=4 86 B10R1.29 CCCCN1CCCC1C CSC016237178 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.29 CCCNC1CCCC1C CSC011467334 [0,1,0,1,0,0|2,0,0]=4 88 B10R1.29 CCCSC1CCOC1C CSC015237125 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.85 CCCN1CCCCCC1 CSC000238004 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.85 CCNC1CCCCCC1 CSC000201170 [0,1,0,1,0,0|1,0,0]=3 91 B10R1.96 CCCN1CCC(C1)CC CSC046395421 [0,1,0,1,0,0|1,0,0]=3 92 B10R1.96 CCCN1CCC(C1)CN CSC011224067 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.96 CCCN1CCC(C1)CO CSC011652537 [0,1,0,1,0,0|1,0,0]=3 94 B10R1.96 CCCN1CCC(C1)SC CSC046345154 [0,1,0,1,0,0|1,1,0]=4 95 B10R1.96 CCN1CCC(C1)CNC CSC011360866 [0,1,0,1,0,0|2,0,0]=4 96 B10R1.96 CO[C@H]1CCN(C1)CCN CSC015362948 [0,1,0,1,0,0|2,0,0]=4 97 B10R1.96 CO[C@H]1CCN(C1)CCO CSC046198185 [0,1,0,1,0,0|2,0,0]=4 98 B10R1.130 CCCN1CC(CC1C)C CSC046637471 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [0,1,0,1,0,0|0,0,2]=4 100 B10R1.245 CCN1C(CCCC1C)C CSC046955512 [0,1,0,1,0,0|1,0,0]=3 101 B10R1.245 CCN1[C@H](CCC[C@H]1C)C [0,1,0,1,0,0|1,0,0]=3 102 B10R1.257 CCC1C(CCN1CC)C CSC046189359 [0,1,0,1,0,0|2,0,0]=4 103 B10R1.257 CCC1CCC(N1CC)C CSC015376771 [0,1,0,1,0,0|1,0,0]=3 104 B10R1.15 CCC(=O)N1CCCCC1 CSC000157697 [0,1,0,1,0,0|0,0,2]=4 105 B10R1.15 CCC(C)N1CCCCC1 CSC011997704 [0,1,0,1,0,0|1,0,0]=3 106 B10R1.15 CCC(C)N1CCNCC1 CSC011216463 [0,1,0,1,0,0|2,0,0]=4 107 B10R1.15 CCC(C)N1CCSCC1 CSC015376002 [0,1,0,1,0,0|2,0,0]=4 108 B10R1.15 CCN(C)C1CCCCC1 CSC046083630 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.15 CCS(=O)C1CCCOC1 CSC015420257 [0,1,0,1,0,0|1,0,1]=4 110 B10R1.94 CC1C(CCN1CCN)N CSC046091534 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.94 CCCN1CCC(C1C)C CSC046173972 [0,1,0,1,0,0|1,0,0]=3 112 B10R1.176 CCN1CCC(C(C1)C)C CSC046499245 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.26 CCN1CCC(CC1)(C)C CSC049052113 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.95 CCCN1CCC(C1)(C)C CSC046554388 [0,1,0,1,0,0|2,0,0]=4 115 B10R1.95 CCCN1CCC(C1)(F)F CSC046084678 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.141 CCCNC1CCC1(C)C CSC014782461 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.521 CCN1CCC(C1)(C)CC CSC047700366 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.3 CCC1CCN(CC1)CC CSC047679515 [0,1,0,1,0,0|2,0,0]=4 119 B10R1.3 CCN1CCC(CC1)CN CSC000744039 [0,1,0,1,0,0|2,0,0]=4 120 B10R1.3 CCN1CCC(CC1)CO CSC011383928 [0,1,0,1,0,0|1,0,0]=3 121 B10R1.8 CCN1CC(CC(C1)C)C CSC046234603 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.8 CCN1CC(CC(C1)O)C CSC000080972 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.27 CCC(=O)NC1CCCC1 CSC000160926 [0,1,0,1,0,0|0,0,2]=4 124 B10R1.27 CCC(C)CN1CCCC1 CSC012721617 [0,1,0,1,0,0|1,0,0]=3 125 B10R1.27 CCC(C)NC1CCCC1 CSC000199863 [0,1,0,1,0,0|1,0,0]=3 126 B10R1.27 CCN(C)CC1CCCC1 CSC046197611 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.131 CCCN1CC(C(C1)C)C CSC046148204 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.149 CCC(C)N1CCCC1C CSC015425123 [0,1,0,1,0,0|1,0,0]=3 129 B10R1.162 CCN1CCCCC(C1)C CSC015250241 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.162 CCN1CCSCC(C1)C CSC046130757 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.1 CCCN1CCC(CC1)C CSC046230074 [0,1,0,1,0,0|1,0,0]=3 132 B10R1.1 CCNC1CCC(CC1)C CSC000188952 [0,1,0,1,0,0|1,0,0]=3 133 B10R1.1 OC1CCN(CC1)CC=C CSC000209592 [0,1,0,1,0,0|0,0,2]=4 134 B10R1.2 CCN1CCCC(C1C)C CSC046618708 [0,1,0,1,0,0|1,0,0]=3 135 B10R1.2 CCN1CCSC(C1C)C CSC048425382 [0,1,0,1,0,0|2,0,0]=4 136 B10R1.16 CCCCN1CCC(C1)C CSC015424907 [0,1,0,1,0,0|1,0,0]=3 137 B10R1.16 CCCNC1CCC(C1)C CSC012090475 [0,1,0,1,0,0|1,0,0]=3 138 B10R1.16 COCCN1CCC(C1)O CSC011773437 [0,1,0,1,0,0|1,0,0]=3 139 B10R1.16 COCCN1CC[C@@H](C1)O CSC011851956 [0,1,0,1,0,0|1,0,0]=3 140 B10R1.16 COCCN1CC[C@H](C1)O CSC011852003 [0,1,0,1,0,0|1,0,0]=3 141 B10R1.16 CSCCN1CCC(C1)C CSC046509566 [0,1,0,1,0,0|2,0,0]=4 142 B10R1.16 OC1CCN(C1)CCCF CSC012862546 [0,1,0,1,0,0|1,0,0]=3 143 B10R1.16 O[C@@H]1CCN(C1)CCCF CSC012862561 [0,1,0,1,0,0|1,0,0]=3 144 B10R1.16 O[C@H]1CCN(C1)CCCF CSC012862562 [0,1,0,1,0,0|1,0,0]=3 145 B10R1.172 CCC1CCCN(C1)CC CSC046135315 [0,1,0,1,0,0|1,0,0]=3 146 B10R1.172 CCC1CN(CCS1)CC CSC048901028 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.172 CCN1CCCC(C1)CO CSC000227639 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.113 CC(C)N1CCCC(C1)C CSC046166953 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.190 CC(C)N(C)CC1CC1C CSC015611801 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.204 CC(C)C(C)NC1CCC1 CSC011550450 [0,1,0,1,0,0|2,0,0]=4 151 B10R1.348 CC(C)N1CCCCCC1 CSC000209149 [0,1,0,1,0,0|2,0,0]=4 152 B10R1.9 CCN(CC)C1CCCC1 CSC011257733 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.487 CSC1(CCCCC1)CO CSC011054675 [0,1,0,1,0,0|1,0,0]=3