0 B8R0.7 CCCCSCC(=C)C CSC000026947 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.7 CCCCSCC(C)C CSC000018356 [0,0,0,0,0,0|2,0,0]=2 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|2,0,1]=4 4 B9R0.2 CCCCCCCC(=O)N CSC011216093 [0,1,0,0,0,0|1,0,2]=4 5 B9R0.2 CCCCCCOC(=O)C CSC000032130 [0,1,0,0,0,0|0,0,2]=3 6 B9R0.2 CCOCCCNC(=O)C CSC000161218 [0,1,0,0,0,0|1,0,2]=4 7 B9R0.4 CCCCC(=O)OC(C)C CSC000169914 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.4 CCCOC(=O)CC(C)C CSC000170144 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.38 CCCCCNS(=O)(=O)C CSC000180709 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.46 CCCCCCC(=O)NN CSC011221127 [0,1,0,0,0,0|1,0,2]=4 11 B9R0.46 CCCCCCC(=O)OC CSC011215249 [0,1,0,0,0,0|0,0,2]=3 12 B9R0.46 CCCCCNC(=O)CC CSC000157985 [0,1,0,0,0,0|1,0,2]=4 13 B9R0.46 CCCCCOC(=O)CC CSC000031694 [0,1,0,0,0,0|1,0,2]=4 14 B9R0.46 CCCCSCC(O)CO CSC011995958 [0,1,0,0,0,0|1,0,0]=2 15 B9R0.47 CCCCCC(=O)N(C)C CSC011216143 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.47 CCCCNC(=O)C(C)C CSC000242797 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.47 CCCCOC(=O)C(C)C CSC011212254 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.48 CCCC(=O)OCC(C)C CSC000005790 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [0,1,0,0,0,0|2,0,1]=4 20 B9R1.13 CS(=O)CC1CCCO1 CSC009859342 [0,0,0,1,0,0|2,0,1]=4 21 B8R0.1 CCCCS(=O)CCO CSC000117714 [1,1,0,0,0,0|1,0,0]=3 22 B8R0.4 CCCCCCCSC CSC000033844 [1,1,0,0,0,0|0,0,0]=2 23 B8R0.4 CCCCCCSCC CSC000073868 [1,1,0,0,0,0|0,0,0]=2 24 B8R0.4 CCCCCSCCO CSC011215970 [1,1,0,0,0,0|0,0,0]=2 25 B8R0.4 CCCCSCCCC CSC000025195 [1,1,0,0,0,0|0,0,0]=2 26 B8R0.4 CCSCCOCCO CSC011409966 [1,1,0,0,0,0|1,0,0]=3 27 B8R0.4 CSCCCCCCO CSC012179070 [1,1,0,0,0,0|0,0,0]=2 28 B8R0.4 CSCCCCCSC CSC009866234 [1,1,0,0,0,0|1,0,0]=3 29 B8R0.28 CC(C)CSCC(C)C CSC000031121 [1,1,0,0,0,0|2,0,0]=4 30 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [0,2,0,0,0,0|1,0,1]=4 31 B10R0.77 CCN(CC)CCCC(C)O CSC011215860 [0,2,0,0,0,0|1,0,0]=3 32 B10R0.4 CC(C)NCCCCCCN CSC011419979 [0,2,0,0,0,0|1,0,0]=3 33 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [0,2,0,0,0,0|0,0,2]=4 34 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [0,2,0,0,0,0|0,0,2]=4 35 B10R0.4 CCCCOCCOC(=O)C CSC000032999 [0,2,0,0,0,0|0,0,2]=4 36 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [0,2,0,0,0,0|1,0,1]=4 37 B10R0.6 CCCCOC(=O)CC(C)C CSC011212304 [0,2,0,0,0,0|1,0,1]=4 38 B10R0.22 CCCCCCNS(=O)(=O)C CSC000171105 [0,2,0,0,0,0|1,0,1]=4 39 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [0,2,0,0,0,0|0,0,2]=4 40 B10R0.74 CCCCCCNC(=O)NC CSC000235370 [0,2,0,0,0,0|0,0,2]=4 41 B10R0.75 CCCCCCC(=O)N(C)C CSC011221090 [0,2,0,0,0,0|0,0,2]=4 42 B10R0.75 CCCCCNC(=O)C(C)C CSC011195860 [0,2,0,0,0,0|1,0,1]=4 43 B10R0.75 CCCCCOC(=O)C(C)C CSC000054037 [0,2,0,0,0,0|1,0,1]=4 44 B10R0.97 CC(C)CCSCCC(C)C CSC000043246 [0,2,0,0,0,0|1,0,0]=3 45 B10R0.97 CC(C)NCCCNC(C)C CSC011219560 [0,2,0,0,0,0|2,0,0]=4 46 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,2,0,0,0,0|0,0,2]=4 47 B10R1.13 CC(C)N1CCC(CC1)C CSC046179136 [0,1,0,1,0,0|2,0,0]=4 48 B10R1.13 CC(C)N1CCC(CC1)N CSC000198580 [0,1,0,1,0,0|2,0,0]=4 49 B10R1.13 CC(C)N1CCC(CC1)O CSC000209593 [0,1,0,1,0,0|2,0,0]=4 50 B10R1.14 CCC(C)N1CCC(C1)C CSC016127000 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.31 CCC1CCN(C1)C(C)C CSC047298775 [0,1,0,1,0,0|2,0,0]=4 52 B10R1.54 CC(C)CN1CCC(C1)C CSC047749369 [0,1,0,1,0,0|2,0,0]=4 53 B10R1.54 CC(C)CN1CC[C@@H](C1)N CSC012183901 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.54 CC(C)NC1CCC(C1)C CSC012091168 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.54 CC(N)CN1CCC(C1)N CSC046122945 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.54 CC(N)CN1CC[C@@H](C1)N CSC046127439 [0,1,0,1,0,0|2,0,0]=4 57 B10R1.54 CC(N)CN1CC[C@H](C1)N CSC046148576 [0,1,0,1,0,0|2,0,0]=4 58 B10R1.150 CCC(C)CN1CC(C1)C CSC016021867 [0,1,0,1,0,0|2,0,0]=4 59 B10R1.150 CCC(C)CN1CC(C1)F CSC015414715 [0,1,0,1,0,0|2,0,0]=4 60 B10R1.150 CCC(C)NC1CC(C1)C CSC013186805 [0,1,0,1,0,0|2,0,0]=4 61 B10R1.168 CCC1CN(C1)CC(C)C CSC047705990 [0,1,0,1,0,0|2,0,0]=4 62 B10R1.171 CCN1CCCC(C1)(C)C CSC046134827 [0,1,0,1,0,0|2,0,0]=4 63 B10R1.194 CC(C)N1CCC(C1C)C CSC046140214 [0,1,0,1,0,0|2,0,0]=4 64 B10R1.197 CCN1CCCC(CC1)C CSC015405514 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.428 CCC(C)NC1CC1(C)C CSC011568050 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.10 CCCN1CCCC(C1)C CSC047234187 [0,1,0,1,0,0|1,0,0]=3 67 B10R1.10 CCCN1CCCC(C1)N CSC011435248 [0,1,0,1,0,0|1,0,0]=3 68 B10R1.10 CCCN1CCSC(C1)C CSC047903786 [0,1,0,1,0,0|2,0,0]=4 69 B10R1.10 CCNC1CCCC(C1)C CSC000201243 [0,1,0,1,0,0|1,0,0]=3 70 B10R1.10 NCCN1CCCC(C1)N CSC046225246 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.10 NCCN1CCCC(C1)O CSC011318664 [0,1,0,1,0,0|1,0,0]=3 72 B10R1.10 NCCN1CCC[C@H](C1)N CSC046095498 [0,1,0,1,0,0|2,0,0]=4 73 B10R1.10 NCCN1CCC[C@H](C1)O CSC010278773 [0,1,0,1,0,0|1,0,0]=3 74 B10R1.10 OC1CCCN(C1)CC#N CSC000234452 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.10 O[C@H]1CCCN(C1)CC#N CSC014194703 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.16 CCCCN1CCC(C1)C CSC015424907 [0,1,0,1,0,0|1,0,0]=3 77 B10R1.16 CCCNC1CCC(C1)C CSC012090475 [0,1,0,1,0,0|1,0,0]=3 78 B10R1.16 COCCN1CCC(C1)O CSC011773437 [0,1,0,1,0,0|1,0,0]=3 79 B10R1.16 COCCN1CC[C@@H](C1)O CSC011851956 [0,1,0,1,0,0|1,0,0]=3 80 B10R1.16 COCCN1CC[C@H](C1)O CSC011852003 [0,1,0,1,0,0|1,0,0]=3 81 B10R1.16 CSCCN1CCC(C1)C CSC046509566 [0,1,0,1,0,0|2,0,0]=4 82 B10R1.16 OC1CCN(C1)CCCF CSC012862546 [0,1,0,1,0,0|1,0,0]=3 83 B10R1.16 O[C@@H]1CCN(C1)CCCF CSC012862561 [0,1,0,1,0,0|1,0,0]=3 84 B10R1.16 O[C@H]1CCN(C1)CCCF CSC012862562 [0,1,0,1,0,0|1,0,0]=3 85 B10R1.18 CC(=O)CN1CCCCC1 CSC000180294 [0,1,0,1,0,0|0,0,2]=4 86 B10R1.18 CC(=O)NC1CCCCC1 CSC000158227 [0,1,0,1,0,0|0,0,2]=4 87 B10R1.18 CC(=O)OC1CCCCC1 CSC000026541 [0,1,0,1,0,0|0,0,2]=4 88 B10R1.18 CC(C)CN1CCCCC1 CSC000240348 [0,1,0,1,0,0|1,0,0]=3 89 B10R1.18 CC(C)CN1CCOCC1 CSC000230502 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.18 CC(C)CN1CCSCC1 CSC046212026 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.18 CC(C)NC1CCOCC1 CSC000759324 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.18 CC(O)CN1CCCCC1 CSC011217603 [0,1,0,1,0,0|0,0,0]=2 93 B10R1.18 CC(O)CN1CCOCC1 CSC000696257 [0,1,0,1,0,0|1,0,0]=3 94 B10R1.39 CCN1CCCC1C(C)C CSC015945522 [0,1,0,1,0,0|1,0,0]=3 95 B10R1.64 CC(C)CN1CCCC1C CSC046256365 [0,1,0,1,0,0|1,0,0]=3 96 B10R1.64 CC(C)NC1CCCC1C CSC011836758 [0,1,0,1,0,0|1,0,0]=3 97 B10R1.66 CC(C)CCN1CCCC1 CSC000224194 [0,1,0,1,0,0|1,0,0]=3 98 B10R1.66 CC(C)CSC1CCOC1 CSC047512326 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.66 CC(C)NCC1CCCC1 CSC011269212 [0,1,0,1,0,0|1,0,0]=3 100 B10R1.66 CC(C)NCC1CCCO1 CSC000223896 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.66 CC(C)SCC1CCCO1 CSC015450385 [0,1,0,1,0,0|2,0,0]=4 102 B10R1.141 CCCNC1CCC1(C)C CSC014782461 [0,1,0,1,0,0|1,0,0]=3 103 B10R1.162 CCN1CCCCC(C1)C CSC015250241 [0,1,0,1,0,0|1,0,0]=3 104 B10R1.162 CCN1CCSCC(C1)C CSC046130757 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.173 CCC1CCC1NC(C)C CSC016159355 [0,1,0,1,0,0|1,0,0]=3 106 B10R1.348 CC(=O)N1CCCCCC1 CSC000157747 [0,1,0,1,0,0|0,0,2]=4 107 B10R1.348 CC(C)N1CCCCCC1 CSC000209149 [0,1,0,1,0,0|1,0,0]=3 108 B10R1.8 CCN1CC(CC(C1)C)C CSC046234603 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.8 CCN1CC(CC(C1)O)C CSC000080972 [0,1,0,1,0,0|1,0,0]=3 110 B10R1.130 CCCN1CC(CC1C)C CSC046637471 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.218 CCCNC1CC(C1)(C)C CSC012737232 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.266 CC(C)CN(C)C1CCC1 CSC048870913 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.266 CC(C)NC(C)C1CCC1 CSC012884955 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.72 CC1CC1CNC(C)(C)C CSC011388387 [0,1,0,1,0,0|2,0,0]=4 115 B10R1.95 CCCN1CCC(C1)(C)C CSC046554388 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.95 CCCN1CCC(C1)(F)F CSC046084678 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.95 CSCC1CCC(O1)(C)C CSC015453650 [0,1,0,1,0,0|1,0,0]=3 118 B10R1.281 CC(C)(C)NC1CCCC1 CSC032857197 [0,1,0,1,0,0|2,0,0]=4 119 B10R1.1 CCCN1CCC(CC1)C CSC046230074 [0,1,0,1,0,0|2,0,0]=4 120 B10R1.1 CCNC1CCC(CC1)C CSC000188952 [0,1,0,1,0,0|2,0,0]=4 121 B10R1.2 CCN1CCCC(C1C)C CSC046618708 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.15 CCC(C)N1CCCCC1 CSC011997704 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.15 CCN(C)C1CCCCC1 CSC046083630 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.15 CNC(=O)C1CCCCC1 CSC000159838 [0,1,0,1,0,0|0,0,2]=4 125 B10R1.15 COC(=O)C1CCCCC1 CSC000148678 [0,1,0,1,0,0|0,0,2]=4 126 B10R1.27 CCC(C)CN1CCCC1 CSC012721617 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.27 CCC(C)NC1CCCC1 CSC000199863 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.27 CCN(C)CC1CCCC1 CSC046197611 [0,1,0,1,0,0|2,0,0]=4 129 B10R1.27 COC(=O)CC1CCCC1 CSC000148925 [0,1,0,1,0,0|0,0,2]=4 130 B10R1.94 CCCN1CCC(C1C)C CSC046173972 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.96 CCCN1CCC(C1)CC CSC046395421 [0,1,0,1,0,0|2,0,0]=4 132 B10R1.96 CCCN1CCC(C1)CN CSC011224067 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.96 CCCN1CCC(C1)CO CSC011652537 [0,1,0,1,0,0|1,0,0]=3 134 B10R1.96 CCCN1CCC(C1)SC CSC046345154 [0,1,0,1,0,0|1,1,0]=4 135 B10R1.96 CO[C@H]1CCN(C1)CCN CSC015362948 [0,1,0,1,0,0|2,0,0]=4 136 B10R1.96 CO[C@H]1CCN(C1)CCO CSC046198185 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.149 CCC(C)N1CCCC1C CSC015425123 [0,1,0,1,0,0|2,0,0]=4 138 B10R1.149 COC(=O)C1CCCC1C CSC013347292 [0,1,0,1,0,0|0,0,2]=4 139 B10R1.172 CCC1CCCN(C1)CC CSC046135315 [0,1,0,1,0,0|2,0,0]=4 140 B10R1.172 CCN1CCCC(C1)CO CSC000227639 [0,1,0,1,0,0|1,0,0]=3 141 B10R1.23 CC(O)C(=O)N1CCCC1 CSC011315629 [0,1,0,1,0,0|1,0,1]=4 142 B10R1.23 C[C@@H](O)C(=O)N1CCCC1 CSC009825761 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.23 C[C@H](O)C(=O)N1CCCC1 CSC009854435 [0,1,0,1,0,0|1,0,1]=4 144 B10R1.113 CC(=O)N1CCCC(C1)O CSC011196156 [0,1,0,1,0,0|1,0,1]=4 145 B10R1.113 CC(=O)N1CCC[C@@H](C1)O CSC012179998 [0,1,0,1,0,0|1,0,1]=4 146 B10R1.113 CC(=O)N1CCC[C@H](C1)O CSC009851125 [0,1,0,1,0,0|1,0,1]=4 147 B10R1.113 CC(C)N1CCCC(C1)C CSC046166953 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.131 CCCN1CC(C(C1)C)C CSC046148204 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.176 CCN1CCC(C(C1)C)C CSC046499245 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.190 CC(C)N(C)CC1CC1C CSC015611801 [0,1,0,1,0,0|2,0,0]=4 151 B10R1.204 CC(C)C(C)NC1CCC1 CSC011550450 [0,1,0,1,0,0|2,0,0]=4 152 B10R1.204 C[C@@H](O)C(=O)NC1CCC1 CSC015314306 [0,1,0,1,0,0|1,0,1]=4 153 B10R1.204 C[C@H](O)C(=O)NC1CCC1 CSC015378953 [0,1,0,1,0,0|1,0,1]=4 154 B10R1.43 CCN1C(CCC1(C)C)C CSC046341189 [0,1,0,1,0,0|2,0,0]=4 155 B10R1.82 CC(C)CNC1CC(C1)C CSC012737280 [0,1,0,1,0,0|2,0,0]=4 156 B10R1.352 CC(C)CNC1CC1(C)C CSC011433599 [0,1,0,1,0,0|2,0,0]=4 157 B10R1.352 CC(C)CN[C@H]1CC1(C)C CSC036937288 [0,1,0,1,0,0|2,0,0]=4 158 B10R1.352 CC(C)NCC1CC1(C)C CSC011735226 [0,1,0,1,0,0|2,0,0]=4 159 B10R2.193 C1CC1NC2CCCC2 CSC000201573 [0,0,0,2,0,0|2,0,0]=4