0 B8R0.7 CCCCSCC(=C)C CSC000026947 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.7 CCCCSCC(C)C CSC000018356 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.1 COC(=O)CCCC(=O)C CSC000015542 [0,1,0,0,0,0|2,0,1]=4 3 B9R0.2 CCC=CCCOC(=O)C CSC015190845 [0,1,0,0,0,0|1,0,2]=4 4 B9R0.2 CCCCCCCC(=O)N CSC011216093 [0,1,0,0,0,0|1,0,0]=2 5 B9R0.2 CCCCCCOC(=O)C CSC000032130 [0,1,0,0,0,0|1,0,0]=2 6 B9R0.2 CCOCCCNC(=O)C CSC000161218 [0,1,0,0,0,0|2,0,0]=3 7 B9R0.38 CCCCCNS(=O)(=O)C CSC000180709 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.46 CCC(=O)NCCCOC CSC000159236 [0,1,0,0,0,0|3,0,0]=4 9 B9R0.46 CCCCCCC(=O)NN CSC011221127 [0,1,0,0,0,0|1,0,0]=2 10 B9R0.46 CCCCCCC(=O)OC CSC011215249 [0,1,0,0,0,0|0,0,0]=1 11 B9R0.46 CCCCCNC(=O)CC CSC000157985 [0,1,0,0,0,0|2,0,0]=3 12 B9R0.46 CCCCCOC(=O)CC CSC000031694 [0,1,0,0,0,0|2,0,0]=3 13 B9R0.46 CCCCSCC(O)CO CSC011995958 [0,1,0,0,0,0|1,0,2]=4 14 B9R0.46 CNC(=O)NCCCOC CSC000235188 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.46 COC(=O)CSCCC#N CSC000151555 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.47 CCCCNC(=O)C(=O)N CSC000124963 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.47 CNCCCN(C)C(=O)C CSC012025734 [0,1,0,0,0,0|3,0,0]=4 18 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.48 COCC(=O)NCC(=O)O CSC000194626 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.55 CC(=O)CCCOC(=O)C CSC000031019 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.55 CC(C)OCCOC(=O)C CSC000006670 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.55 CN(C)CCCNC(=O)C CSC000159965 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.6 CC(=O)N1CCSCC1 CSC011323056 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.6 NC(=O)C1CCSCC1 CSC000072764 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.6 NC(=O)N1CCOCC1 CSC000189380 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.13 CC(=O)NC1CCSC1 CSC012483018 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.13 CS(=O)CC1CCCO1 CSC009859342 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.24 CCN1CCCS1(=O)=O CSC020629780 [0,0,0,1,0,0|2,0,1]=4 29 B8R0.1 CCCCS(=O)CCO CSC000117714 [1,1,0,0,0,0|1,0,1]=4 30 B8R0.4 CCCCCCCSC CSC000033844 [1,1,0,0,0,0|0,1,1]=4 31 B8R0.4 CCCCCCSCC CSC000073868 [1,1,0,0,0,0|1,0,1]=4 32 B8R0.4 CCCCCSCCO CSC011215970 [1,1,0,0,0,0|0,0,1]=3 33 B8R0.4 CCCCSCCCC CSC000025195 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.4 CCSCCOCCO CSC011409966 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.4 CSCCCCCCO CSC012179070 [1,1,0,0,0,0|0,0,1]=3 36 B8R0.4 CSCCCCCSC CSC009866234 [1,1,0,0,0,0|2,0,0]=4 37 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,2,0,0,0,0|1,0,1]=4 38 B10R0.3 COCC(=O)NCCC(=O)O CSC000195326 [0,2,0,0,0,0|1,0,1]=4 39 B10R0.59 COC(=O)CCCC(=O)OC CSC000037473 [0,2,0,0,0,0|1,0,1]=4 40 B10R0.4 CC(=O)OCCCCCC=C CSC000037147 [0,2,0,0,0,0|1,0,1]=4 41 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [0,2,0,0,0,0|1,0,0]=3 42 B10R0.4 CCCCCCCNC(=O)N CSC009878357 [0,2,0,0,0,0|1,0,0]=3 43 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [0,2,0,0,0,0|1,0,0]=3 44 B10R0.4 CCCCOCCOC(=O)C CSC000032999 [0,2,0,0,0,0|1,0,0]=3 45 B10R0.4 COCCOCCOC(=O)C CSC000062832 [0,2,0,0,0,0|2,0,0]=4 46 B10R0.22 CCCCCCNS(=O)(=O)C CSC000171105 [0,2,0,0,0,0|1,0,1]=4 47 B10R0.74 CCCCCCCC(=O)NN CSC000181853 [0,2,0,0,0,0|1,0,0]=3 48 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [0,2,0,0,0,0|0,0,0]=2 49 B10R0.74 CCCCCCNC(=O)NC CSC000235370 [0,2,0,0,0,0|1,0,0]=3 50 B10R0.74 CCOCCCNC(=O)CC CSC000161224 [0,2,0,0,0,0|2,0,0]=4 51 B10R0.74 CCOCCSCC(=O)OC CSC000001124 [0,2,0,0,0,0|1,0,0]=3 52 B10R0.75 CCCCCCC(=O)N(C)C CSC011221090 [0,2,0,0,0,0|1,0,0]=3 53 B10R0.75 CCCCCNC(=O)C(=O)N CSC048324000 [0,2,0,0,0,0|1,0,1]=4 54 B10R0.75 CCCCCNC(=O)C(C)C CSC011195860 [0,2,0,0,0,0|2,0,0]=4 55 B10R0.75 CCCCCOC(=O)C(C)C CSC000054037 [0,2,0,0,0,0|2,0,0]=4 56 B10R0.75 COCCCNC(=O)C(=O)O CSC000238783 [0,2,0,0,0,0|1,0,1]=4 57 B10R0.78 CCCCC(=O)NCC(=O)O CSC000205572 [0,2,0,0,0,0|0,0,1]=3 58 B10R0.97 CC(=O)NCCCCC(=O)O CSC011593336 [0,2,0,0,0,0|0,0,1]=3 59 B10R0.97 CC(C)OCCCNC(=O)C CSC000161839 [0,2,0,0,0,0|2,0,0]=4 60 B10R0.96 CC(C)CC(=O)NCC(=O)O CSC000194594 [0,2,0,0,0,0|1,0,1]=4 61 B10R0.96 CC(C)NC(=O)CCC(=O)O CSC000199435 [0,2,0,0,0,0|1,0,1]=4 62 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,2,0,0,0,0|0,0,0]=2 63 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [0,2,0,0,0,0|2,0,0]=4 64 B10R0.1 CCCCCNC(=O)COC CSC000157996 [0,2,0,0,0,0|1,0,0]=3 65 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [0,2,0,0,0,0|2,0,0]=4 66 B10R0.1 CCOC(=O)CCSCCO CSC011325821 [0,2,0,0,0,0|2,0,0]=4 67 B10R0.1 COCCCNC(=O)COC CSC000159247 [0,2,0,0,0,0|2,0,0]=4 68 B10R0.83 COC(=O)C(C)CSCCO CSC011325816 [0,2,0,0,0,0|2,0,0]=4 69 B10R0.105 CCCS(=O)(=O)NCC(=O)O CSC000165744 [0,2,0,0,0,0|2,0,0]=4 70 B10R1.13 CC1CCN(CC1)C(=O)C CSC000161169 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.13 CC1CCN(CC1)C(=O)N CSC000238906 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.31 CCC1CCN(C1)C(=O)N CSC012710758 [0,1,0,1,0,0|2,0,0]=4 73 B10R1.194 CC1CCN(C1C)C(=O)N CSC015945145 [0,1,0,1,0,0|2,0,0]=4 74 B10R1.18 CC(=O)CN1CCCCC1 CSC000180294 [0,1,0,1,0,0|1,0,0]=3 75 B10R1.18 CC(=O)CN1CCOCC1 CSC000180433 [0,1,0,1,0,0|2,0,0]=4 76 B10R1.18 CC(=O)NC1CCCCC1 CSC000158227 [0,1,0,1,0,0|1,0,0]=3 77 B10R1.18 CC(=O)NC1CCCOC1 CSC011884898 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.18 CC(=O)NC1CCSCC1 CSC011670947 [0,1,0,1,0,0|2,0,0]=4 79 B10R1.18 CC(=O)OC1CCCCC1 CSC000026541 [0,1,0,1,0,0|1,0,0]=3 80 B10R1.18 CC(O)CN1CCCCC1 CSC011217603 [0,1,0,1,0,0|1,0,1]=4 81 B10R1.18 NC(=O)CC1CCCCO1 CSC000725203 [0,1,0,1,0,0|1,0,0]=3 82 B10R1.18 NC(=O)CN1CCSCC1 CSC011321854 [0,1,0,1,0,0|2,0,0]=4 83 B10R1.18 NC(=O)OC1CCCCC1 CSC000123476 [0,1,0,1,0,0|1,0,0]=3 84 B10R1.39 CC(=O)N1CCCC1CN CSC000706156 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.39 CC(=O)N1CCCC1CO CSC011474066 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.39 CC(=O)N1CCC[C@H]1CO CSC012003343 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.39 CCC1CCCN1C(=O)N CSC011386413 [0,1,0,1,0,0|1,0,0]=3 88 B10R1.39 CCC1NCCC1C(=O)N CSC015706231 [0,1,0,1,0,0|1,0,0]=3 89 B10R1.39 CCN1CCC[C@H]1C(=O)N CSC015708101 [0,1,0,1,0,0|1,0,0]=3 90 B10R1.61 CC1CCCCN1C(=O)N CSC000238911 [0,1,0,1,0,0|1,0,0]=3 91 B10R1.61 CC1CNCCN1C(=O)C CSC011725993 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.61 CC1CSCCN1C(=O)N CSC011976846 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.61 CC1NCCCC1C(=O)N CSC012079615 [0,1,0,1,0,0|1,0,0]=3 94 B10R1.61 CC1OCCCC1C(=O)N CSC016159393 [0,1,0,1,0,0|1,0,0]=3 95 B10R1.61 C[C@@H]1CNCCN1C(=O)C CSC012025876 [0,1,0,1,0,0|2,0,0]=4 96 B10R1.61 C[C@@H]1COCCN1C(=O)C CSC014106315 [0,1,0,1,0,0|2,0,0]=4 97 B10R1.61 C[C@H]1CNCCN1C(=O)C CSC012025909 [0,1,0,1,0,0|2,0,0]=4 98 B10R1.64 CC1OCCC1NC(=O)C CSC013100664 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.66 CC(=O)NCC1CCCN1 CSC011696608 [0,1,0,1,0,0|2,0,0]=4 100 B10R1.66 CC(=O)NCC1CCCO1 CSC000158280 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.66 CC(=O)NCC1CCSC1 CSC014215000 [0,1,0,1,0,0|2,0,0]=4 102 B10R1.66 CC(=O)OCC1CCCO1 CSC000006207 [0,1,0,1,0,0|2,0,0]=4 103 B10R1.66 NC(=O)CCC1CCCC1 CSC000162258 [0,1,0,1,0,0|1,0,0]=3 104 B10R1.66 NC(=O)COC1CCCC1 CSC011347441 [0,1,0,1,0,0|1,0,0]=3 105 B10R1.348 CC(=O)N1CCCCCC1 CSC000157747 [0,1,0,1,0,0|1,0,0]=3 106 B10R1.348 NC(=O)C1CCCCCC1 CSC011707493 [0,1,0,1,0,0|1,0,0]=3 107 B10R1.192 CC1CCC(N1C(=O)N)C CSC015657649 [0,1,0,1,0,0|2,0,0]=4 108 B10R1.15 CCC(=O)N1CCCCC1 CSC000157697 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.15 CNC(=O)C1CCCCC1 CSC000159838 [0,1,0,1,0,0|1,0,0]=3 110 B10R1.15 CNC(=O)C1CCCCO1 CSC012026083 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.15 CNC(=O)C1CCCOC1 CSC000698928 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.15 CNC(=O)C1CCSCC1 CSC016062598 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.15 COC(=O)C1=CCCCC1 CSC011219632 [0,1,0,1,0,0|0,0,2]=4 114 B10R1.15 COC(=O)C1CCC=CC1 CSC000148649 [0,1,0,1,0,0|0,0,2]=4 115 B10R1.15 COC(=O)C1CCCCC1 CSC000148678 [0,1,0,1,0,0|0,0,0]=2 116 B10R1.15 COC(=O)C1CCCCO1 CSC011625642 [0,1,0,1,0,0|1,0,0]=3 117 B10R1.15 COC(=O)C1CCCOC1 CSC011744426 [0,1,0,1,0,0|1,0,0]=3 118 B10R1.15 COC(=O)C1CCOCC1 CSC000193737 [0,1,0,1,0,0|1,0,0]=3 119 B10R1.15 COC(=O)C1CCSCC1 CSC000070458 [0,1,0,1,0,0|1,0,0]=3 120 B10R1.15 COC(=O)C1COCCO1 CSC011294760 [0,1,0,1,0,0|2,0,0]=4 121 B10R1.15 COC(=O)N1CCCCC1 CSC000235962 [0,1,0,1,0,0|1,0,0]=3 122 B10R1.15 COC(=O)N1CCNCC1 CSC000746444 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.15 OCC(=O)N1CCCCC1 CSC011315646 [0,1,0,1,0,0|1,0,0]=3 124 B10R1.27 CCC(=O)NC1CCCC1 CSC000160926 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.27 CNC(=O)CC1CCCN1 CSC011463786 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.27 CNC(=O)CC1CCCO1 CSC011295658 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.27 CNC(=O)NC1CCCC1 CSC000235269 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.27 COC(=O)CC1CCCC1 CSC000148925 [0,1,0,1,0,0|0,0,0]=2 129 B10R1.27 COC(=O)CC1CCCO1 CSC000244803 [0,1,0,1,0,0|1,0,0]=3 130 B10R1.27 ClCC(=O)NC1CCCC1 CSC000183512 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.27 NCC(=O)NC1CCCC1 CSC000168434 [0,1,0,1,0,0|2,0,0]=4 132 B10R1.27 OCC(=O)NC1CCSC1 CSC016126048 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.149 CNC(=O)C1CCCN1C CSC000054904 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.149 CNC(=O)C1CCOC1C CSC012638678 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.149 CNC(=O)[C@H]1CNC[C@@H]1C [0,1,0,1,0,0|2,0,0]=4 136 B10R1.149 COC(=O)C1CCCC1C CSC013347292 [0,1,0,1,0,0|0,0,0]=2 137 B10R1.23 CC(N1CCCC1)C(=O)N CSC000174582 [0,1,0,1,0,0|2,0,0]=4 138 B10R1.23 CN(C1CCCC1)C(=O)C CSC011196654 [0,1,0,1,0,0|2,0,0]=4 139 B10R1.23 CN(C1CCCC1)C(=O)N CSC000239029 [0,1,0,1,0,0|2,0,0]=4 140 B10R1.23 OC(=O)C(=O)N1CCCC1 CSC000238780 [0,1,0,1,0,0|1,0,1]=4 141 B10R1.113 CC(=O)N1CCCC(C1)N CSC011448215 [0,1,0,1,0,0|2,0,0]=4 142 B10R1.113 CC(=O)N1CCCC(C1)O CSC011196156 [0,1,0,1,0,0|2,0,0]=4 143 B10R1.113 CC(=O)N1CCC[C@@H](C1)O CSC012179998 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.113 CC(=O)N1CCC[C@H](C1)N CSC012662833 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.113 CC(=O)N1CCC[C@H](C1)O CSC009851125 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.113 CC1CCCN(C1)C(=O)C CSC000158579 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.363 CC1(CCCNC1)C(=O)N CSC011812771 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.363 CC1(CCCOC1)C(=O)N CSC016021245 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.59 CC1CC(N(C1)C(=O)N)C CSC012178494 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.353 CC(=O)NCC1(CCC1)N CSC013341849 [0,1,0,1,0,0|2,0,0]=4 151 B10R1.361 CC(C)C1CCN1C(=O)N CSC015424837 [0,1,0,1,0,0|2,0,0]=4