0 B10R0.91 CCCCC(=O)NCCC#C CSC011979654 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [0,0,0,0,0,0|0,0,2]=2 2 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,0,0,0,0,0|0,0,0]=0 3 B10R0.91 CCCCNC(=O)NCC=C CSC000178633 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.91 CCCCNC(=O)NCCC CSC000163429 [0,0,0,0,0,0|2,0,0]=2 5 B10R0.91 CCCNC(=O)NCCOC CSC000163156 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.5 CCCC(=O)NCCSC CSC000161292 [1,0,0,0,0,0|2,0,0]=3 7 B9R0.5 CCCCCC(=O)OCC CSC000170156 [1,0,0,0,0,0|0,0,0]=1 8 B9R0.5 CCCCNC(=O)CNC CSC000213093 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.5 CCCCNC(=O)COC CSC000159063 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.5 CCCCNC(=O)NCC CSC000163430 [1,0,0,0,0,0|2,0,0]=3 11 B9R0.5 CCCCOC(=O)CCC CSC011212260 [1,0,0,0,0,0|1,0,0]=2 12 B9R0.5 CCNC(=O)NCCOC CSC000163157 [1,0,0,0,0,0|3,0,0]=4 13 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [1,0,0,0,0,0|1,0,1]=3 14 B9R0.5 CCOC(=O)CSCC#N CSC000172129 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.5 COCCNC(=O)COC CSC000157859 [1,0,0,0,0,0|3,0,0]=4 16 B9R0.18 CCCCC(=O)OCCC CSC000169915 [1,0,0,0,0,0|0,0,0]=1 17 B9R0.18 CCCCN(C)CCCC CSC000020957 [1,0,0,0,0,0|3,0,0]=4 18 B9R0.18 CCCCS(=O)CCCC CSC000031468 [1,0,0,0,0,0|2,0,0]=3 19 B9R0.18 CCCNC(=O)NCCC CSC000163711 [1,0,0,0,0,0|2,0,0]=3 20 B9R0.45 CCCCCCSCCO CSC011304839 [1,0,0,0,0,0|1,1,1]=4 21 B9R0.45 CCCCSCCOCC CSC000053094 [1,0,0,0,0,0|3,0,0]=4 22 B11R0.5 CCCNC(=O)CC(=O)OCC CSC000058579 [0,1,0,0,0,0|2,0,1]=4 23 B11R0.5 CCCNC(=O)NC(C)CCC CSC000163701 [0,1,0,0,0,0|2,0,0]=3 24 B11R0.46 CCCCCC(=O)OCC(C)C CSC000005847 [0,1,0,0,0,0|0,0,0]=1 25 B11R0.46 CCCCOC(=O)CCC(=O)C CSC011212340 [0,1,0,0,0,0|2,0,1]=4 26 B11R0.81 CCCCCCC(=O)OCC=C CSC000033353 [0,1,0,0,0,0|0,0,2]=3 27 B11R0.81 CCCCCNC(=O)NCCC CSC000163177 [0,1,0,0,0,0|1,0,0]=2 28 B11R0.81 CCCCCOC(=O)CCCC CSC000033676 [0,1,0,0,0,0|1,0,0]=2 29 B11R0.81 CCCNC(=O)NCCCOC CSC000163483 [0,1,0,0,0,0|2,0,0]=3 30 B11R0.140 CCCCCC(=O)OCCCC CSC011212308 [0,1,0,0,0,0|0,0,0]=1 31 B11R0.140 CCCCNC(=O)NCCCC CSC000163428 [0,1,0,0,0,0|2,0,0]=3 32 B11R0.147 CCCNC(=O)NCCC(C)C CSC000163490 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.24 CCCNC1CCCC(C1)C CSC000201679 [0,0,0,1,0,0|2,0,1]=4 34 B11R1.29 C=CCNC(=O)C1CCCC1 CSC000160324 [0,0,0,1,0,0|1,0,2]=4 35 B11R1.29 CCCNC(=O)C1CCCC1 CSC000161742 [0,0,0,1,0,0|1,0,0]=2 36 B11R1.29 CCCNC(=O)C1CCCO1 CSC000161660 [0,0,0,1,0,0|2,0,0]=3 37 B11R1.29 CCCNC(=O)[C@@H]1CCCN1 CSC011422784 [0,0,0,1,0,0|2,0,0]=3 38 B11R1.29 CNCCC(=O)N1CCCC1 CSC000232456 [0,0,0,1,0,0|3,0,0]=4 39 B11R1.182 CCCN1CC(OCC1C)C CSC046101414 [0,0,0,1,0,0|2,0,1]=4 40 B11R1.203 CCCNC1CCCCCC1 CSC000201645 [0,0,0,1,0,0|2,0,1]=4 41 B11R1.284 CCCNC(=O)NC1CCC1 CSC011909585 [0,0,0,1,0,0|2,0,0]=3 42 B8R0.1 CCCCS(=O)CCO CSC000117714 [2,0,0,0,0,0|2,0,0]=4 43 B8R0.1 CCOC(=O)CCSC CSC000173045 [2,0,0,0,0,0|1,0,0]=3 44 B8R0.1 CCOC(=O)CSCC CSC000172126 [2,0,0,0,0,0|1,0,0]=3 45 B8R0.4 CCCCCCCSC CSC000033844 [2,0,0,0,0,0|1,0,1]=4 46 B8R0.4 CCCCCCSCC CSC000073868 [2,0,0,0,0,0|0,1,1]=4 47 B8R0.4 CCCCCSCCO CSC011215970 [2,0,0,0,0,0|1,1,0]=4 48 B8R0.4 CCCCSCCCC CSC000025195 [2,0,0,0,0,0|1,0,1]=4 49 B8R0.4 CCSCCOCCO CSC011409966 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.6 CCCSCC(=O)OC CSC000151543 [2,0,0,0,0,0|1,0,0]=3 51 B8R0.6 COC(=O)CCCSC CSC011216297 [2,0,0,0,0,0|1,0,0]=3 52 B10R0.1 CCCC(=O)OCCCCO CSC000073227 [1,1,0,0,0,0|1,0,0]=3 53 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [1,1,0,0,0,0|0,0,0]=2 54 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [1,1,0,0,0,0|1,0,0]=3 55 B10R0.1 CCCCCNC(=O)COC CSC000157996 [1,1,0,0,0,0|1,0,0]=3 56 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [1,1,0,0,0,0|0,0,0]=2 57 B10R0.1 CCOC(=O)CCSCCO CSC011325821 [1,1,0,0,0,0|1,0,0]=3 58 B10R0.1 COCCCNC(=O)COC CSC000159247 [1,1,0,0,0,0|2,0,0]=4 59 B10R0.2 CCCC(C)NC(=O)CNC CSC000225643 [1,1,0,0,0,0|2,0,0]=4 60 B10R0.2 CCCC(C)NC(=O)COC CSC000208403 [1,1,0,0,0,0|2,0,0]=4 61 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [1,1,0,0,0,0|0,0,0]=2 62 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [1,1,0,0,0,0|1,0,0]=3 63 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [1,1,0,0,0,0|0,0,1]=3 64 B10R0.3 CCOC(=O)CSCC(=O)C CSC000172134 [1,1,0,0,0,0|1,0,1]=4 65 B10R0.3 CNCC(=O)NCCC(C)C CSC000213094 [1,1,0,0,0,0|2,0,0]=4 66 B10R0.3 COCC(=O)NCCC(C)C CSC000159411 [1,1,0,0,0,0|2,0,0]=4 67 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [1,1,0,0,0,0|0,0,0]=2 68 B10R0.6 CCCCOC(=O)CC(C)C CSC011212304 [1,1,0,0,0,0|1,0,0]=3 69 B10R0.18 CCCNC(=O)NC(C)CC CSC000163167 [1,1,0,0,0,0|2,0,0]=4 70 B10R0.78 CCCNC(=O)NCC(C)C CSC000163605 [1,1,0,0,0,0|2,0,0]=4 71 B10R0.116 CCCCS(=O)(=O)CCCC CSC000034987 [1,1,0,0,0,0|2,0,0]=4 72 B10R0.71 CCCCSCCOCCO CSC011409991 [1,1,0,0,0,0|1,0,1]=4 73 B12R0.353 CCCN(C)C(=O)[C@@H](N)CCSC CSC011423399 [0,2,0,0,0,0|2,0,0]=4 74 B12R0.453 CCCNC(=O)CS(=O)(=O)CCC CSC020383619 [0,2,0,0,0,0|2,0,0]=4 75 B12R0.98 CSCCC(N)C(=O)NCC(C)C CSC000030925 [0,2,0,0,0,0|2,0,0]=4 76 B12R0.98 CSCCC(O)C(=O)NCC(C)O CSC019308738 [0,2,0,0,0,0|2,0,0]=4 77 B12R0.252 CCC(C)NC(=O)C(N)CCSC CSC000030916 [0,2,0,0,0,0|2,0,0]=4 78 B12R0.351 CCCCC(CC)C(=O)OCCC CSC011216918 [0,2,0,0,0,0|0,0,0]=2 79 B12R0.648 CCCCSC(C)C(=O)NCCN CSC056691561 [0,2,0,0,0,0|2,0,0]=4 80 B12R0.648 CCCSCC(=O)N(C)CCNC CSC056657998 [0,2,0,0,0,0|2,0,0]=4 81 B12R0.142 CCCSCC(=O)NCC(C)CN CSC056834817 [0,2,0,0,0,0|2,0,0]=4 82 B12R0.142 CCCSCC(=O)NCC(C)NC CSC057124566 [0,2,0,0,0,0|2,0,0]=4 83 B12R0.142 CNCCCC(=O)NCC(C)SC CSC013438381 [0,2,0,0,0,0|2,0,0]=4 84 B12R0.255 CCCCCCC(=O)OCC(=C)C CSC020365726 [0,2,0,0,0,0|0,0,1]=3 85 B12R0.255 CSCCCNC(=O)NC[C@@H](C)O CSC019711513 [0,2,0,0,0,0|2,0,0]=4 86 B12R0.645 CCCCCS(=O)(=O)NCC(C)O CSC019488039 [0,2,0,0,0,0|2,0,0]=4 87 B12R0.649 CCCCNC(=O)OCC(F)(F)F CSC000178538 [0,2,0,0,0,0|2,0,0]=4 88 B12R0.649 CCCSCC(=O)NCC(C)(C)N CSC057241075 [0,2,0,0,0,0|2,0,0]=4 89 B12R0.47 CCCCCOC(=O)CCCCC CSC000039363 [0,2,0,0,0,0|0,0,0]=2 90 B12R0.47 CCCCOCC(=O)OCCCC CSC011521784 [0,2,0,0,0,0|0,0,0]=2 91 B12R0.47 CCCSCC(=O)NCCCCN CSC056785808 [0,2,0,0,0,0|1,1,0]=4 92 B12R0.47 CCCSCC(=O)NCCCNC CSC057281946 [0,2,0,0,0,0|1,1,0]=4 93 B12R0.47 CCCSCC(=O)NCCNCC CSC057004965 [0,2,0,0,0,0|1,1,0]=4 94 B12R0.47 CNCCCC(=O)NCCCSC CSC011959069 [0,2,0,0,0,0|2,0,0]=4 95 B12R0.47 CNCCNC(=O)CCCCSC CSC057344774 [0,2,0,0,0,0|1,0,0]=3 96 B12R0.95 CC(C)CCSCC(=O)NCCN CSC056944566 [0,2,0,0,0,0|2,0,0]=4 97 B12R0.95 CCCCC(=O)NCCCN(C)C CSC000024829 [0,2,0,0,0,0|2,0,0]=4 98 B12R0.95 CCCNC(=O)NCCCN(C)C CSC000163501 [0,2,0,0,0,0|2,0,0]=4 99 B12R0.114 CCCC(N)C(=O)NCCCSC CSC011959046 [0,2,0,0,0,0|2,0,0]=4 100 B12R0.206 CCCCSCCC(=O)NCCN CSC057563660 [0,2,0,0,0,0|2,0,0]=4 101 B12R0.206 CCCNC(=O)NCCCOCC CSC000181040 [0,2,0,0,0,0|1,0,0]=3 102 B12R0.585 CCCCCNS(=O)(=O)NCCC CSC019263739 [0,2,0,0,0,0|2,0,0]=4 103 B12R0.585 CCCCS(=O)(=O)CCCCCO CSC019300433 [0,2,0,0,0,0|2,0,0]=4 104 B12R0.233 CCCCCC(=O)OCCC(C)C CSC000024457 [0,2,0,0,0,0|0,0,0]=2 105 B12R0.233 CCCSCC(=O)NCCC(C)N CSC057012599 [0,2,0,0,0,0|1,1,0]=4 106 B12R0.104 CCCNC(=O)CCCS(=O)(=O)C CSC018813872 [0,2,0,0,0,0|2,0,0]=4 107 B12R0.144 CCCSCC(=O)NC(CC)C#N CSC019595474 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.10 CCCN1CCCC(C1)C CSC047234187 [1,0,0,1,0,0|2,0,0]=4 109 B10R1.11 CCCN(C)C1CCCC1 CSC048500926 [1,0,0,1,0,0|2,0,0]=4 110 B10R1.11 CCNC(=O)C1CCCN1 CSC011197115 [1,0,0,1,0,0|2,0,0]=4 111 B10R1.11 CCNC(=O)C1CCNC1 CSC011790733 [1,0,0,1,0,0|2,0,0]=4 112 B10R1.11 CCNC(=O)C1CCOC1 CSC011558105 [1,0,0,1,0,0|2,0,0]=4 113 B10R1.11 CCNC(=O)[C@@H]1CCCN1 CSC011422904 [1,0,0,1,0,0|2,0,0]=4 114 B10R1.11 CCNC(=O)[C@@H]1CCNC1 CSC018701730 [1,0,0,1,0,0|2,0,0]=4 115 B10R1.11 CCNC(=O)[C@H]1CCNC1 CSC015592258 [1,0,0,1,0,0|2,0,0]=4 116 B10R1.11 CCOC(=O)C1=CCCC1 CSC009876662 [1,0,0,1,0,0|0,0,2]=4 117 B10R1.11 CCOC(=O)C1CC=CC1 CSC011934596 [1,0,0,1,0,0|0,0,2]=4 118 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [1,0,0,1,0,0|1,0,0]=3 119 B10R1.11 CCOC(=O)C1CCSC1 CSC012019184 [1,0,0,1,0,0|1,0,0]=3 120 B10R1.11 COCC(=O)N1CCCC1 CSC000158196 [1,0,0,1,0,0|2,0,0]=4 121 B10R1.11 NCCC(=O)N1CCCC1 CSC000195578 [1,0,0,1,0,0|2,0,0]=4 122 B10R1.85 CCCN1CCCCCC1 CSC000238004 [1,0,0,1,0,0|2,0,0]=4 123 B10R1.96 CCCN1CCC(C1)CC CSC046395421 [1,0,0,1,0,0|2,0,0]=4 124 B10R1.137 CCNC(=O)NC1CCC1 CSC011910442 [1,0,0,1,0,0|2,0,0]=4 125 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [1,0,0,1,0,0|0,0,0]=2 126 B10R1.186 CCCCNC(=O)C1CC1 CSC000159052 [1,0,0,1,0,0|1,0,0]=3 127 B10R1.186 COCCNC(=O)C1CC1 CSC000157847 [1,0,0,1,0,0|2,0,0]=4 128 B10R1.186 OCCCNC(=O)C1CC1 CSC000208351 [1,0,0,1,0,0|2,0,0]=4 129 B10R1.178 NCCNC(=O)C1CCC1 CSC000721965 [1,0,0,1,0,0|2,0,0]=4 130 B10R1.180 CCCNC(=O)NC1CC1 CSC000163581 [1,0,0,1,0,0|2,0,0]=4 131 B10R1.293 CCCNC(=O)C1CC1C CSC000161773 [1,0,0,1,0,0|1,0,0]=3 132 B10R1.5 CCCN1CCCC1CC CSC047626652 [1,0,0,1,0,0|1,0,1]=4 133 B12R1.53 CCCNC(=O)NC1CCCC1 CSC000163631 [0,1,0,1,0,0|1,0,0]=3 134 B12R1.321 CCCCN1CCCOC(C1)C CSC016025826 [0,1,0,1,0,0|1,0,1]=4 135 B12R1.30 CCCCC(=O)N1CCNCC1 CSC000740019 [0,1,0,1,0,0|2,0,0]=4 136 B12R1.30 CCCCC(=O)N1CCOCC1 CSC000174280 [0,1,0,1,0,0|2,0,0]=4 137 B12R1.30 CCCNC(=O)C1CCCCC1 CSC000161726 [0,1,0,1,0,0|1,0,0]=3 138 B12R1.30 CCCNC(=O)N1CCOCC1 CSC000163405 [0,1,0,1,0,0|2,0,0]=4 139 B12R1.30 OCCNC(=O)C1CCCCC1 CSC000158902 [0,1,0,1,0,0|2,0,0]=4 140 B12R1.374 CCCCN1CC(OCC1C)C CSC015525743 [0,1,0,1,0,0|1,0,1]=4 141 B12R1.35 CCCCNC(=O)C1CCCC1 CSC016338987 [0,1,0,1,0,0|1,0,0]=3 142 B12R1.35 COCCNC(=O)C1CCCC1 CSC016341372 [0,1,0,1,0,0|1,0,0]=3 143 B12R1.15 CCC(C)NC(=O)C1CCCC1 CSC000157930 [0,1,0,1,0,0|1,0,0]=3 144 B12R2.2074 O=C(NC1CC1)C2CCOC2 CSC011569552 [0,0,0,2,0,0|2,0,0]=4 145 B12R2.2074 O=C(NC1CC1)[C@@H]2CCNC2 CSC015961750 [0,0,0,2,0,0|2,0,0]=4 146 B12R2.2074 O=C(NC1CC1)[C@H]2CCNC2 CSC015968991 [0,0,0,2,0,0|2,0,0]=4 147 B12R2.3797 O=C(C1CCCO1)N2CCC2 CSC015610239 [0,0,0,2,0,0|2,0,0]=4 148 B12R2.3797 O=C(C1CCSC1)N2CCC2 CSC016157916 [0,0,0,2,0,0|2,0,0]=4 149 B12R2.3797 O=C([C@@H]1CCCO1)N2CCC2 CSC015951125 [0,0,0,2,0,0|2,0,0]=4 150 B12R2.3797 O=C([C@H]1CCCO1)N2CCC2 CSC015847814 [0,0,0,2,0,0|2,0,0]=4 151 B12R2.3288 O=C(CNC1CC1)NC2CC2 CSC000176478 [0,0,0,2,0,0|2,0,0]=4