0 B10R0.3 CC(C)CCNC(=O)CC#N CSC011223004 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,0,0,0,0,0|3,0,1]=4 3 B10R0.3 CNCC(=O)NCCC(C)C CSC000213094 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.3 CNCC(=O)NCCN(C)C CSC011225625 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.3 COCC(=O)NCCC(C)C CSC000159411 [0,0,0,0,0,0|2,0,0]=2 6 B10R0.3 COCC(=O)NCCN(C)C CSC000160002 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.1 CCC(=O)NCCC(C)C CSC000159400 [1,0,0,0,0,0|1,0,0]=2 8 B9R0.1 COC(=O)CSCC(C)C CSC000151547 [1,0,0,0,0,0|3,0,0]=4 9 B9R0.5 CCCC(=O)NCCSC CSC000161292 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.5 CCCCCC(=O)OCC CSC000170156 [1,0,0,0,0,0|2,0,0]=3 11 B9R0.5 CCCCNC(=O)CNC CSC000213093 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.5 CCCCNC(=O)COC CSC000159063 [1,0,0,0,0,0|2,0,0]=3 13 B9R0.5 CCCCNC(=O)NCC CSC000163430 [1,0,0,0,0,0|2,0,0]=3 14 B9R0.5 CCCCOC(=O)CCC CSC011212260 [1,0,0,0,0,0|0,0,0]=1 15 B9R0.5 CCNC(=O)NCCOC CSC000163157 [1,0,0,0,0,0|3,0,0]=4 16 B9R0.5 COCCNC(=O)COC CSC000157859 [1,0,0,0,0,0|3,0,0]=4 17 B11R0.6 CC(C)CCOC(=O)CC(C)C CSC000024456 [0,1,0,0,0,0|0,0,0]=1 18 B11R0.141 CCOC(=O)CCN(C)C(C)C CSC011277828 [0,1,0,0,0,0|3,0,0]=4 19 B11R0.145 CCC(C)C(=O)OCCC(C)C CSC000026081 [0,1,0,0,0,0|0,0,0]=1 20 B11R0.145 CNC(=O)C(=O)NCCC(C)C CSC000019531 [0,1,0,0,0,0|2,0,1]=4 21 B11R0.147 CCCNC(=O)NCCC(C)C CSC000163490 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.15 CC1CCN(C1)C(=O)CC#N CSC011434157 [0,0,0,1,0,0|2,0,1]=4 23 B11R1.15 CC1CCN(C1)C(=O)CCN CSC011434084 [0,0,0,1,0,0|2,0,0]=3 24 B11R1.15 CCCC(=O)N1CCC(C1)N CSC011600442 [0,0,0,1,0,0|2,0,0]=3 25 B11R1.15 CCCC(=O)N1CC[C@@H](C1)N CSC012936781 [0,0,0,1,0,0|2,0,0]=3 26 B11R1.15 CCCC(=O)N1CC[C@@H](C1)O CSC012447290 [0,0,0,1,0,0|2,0,0]=3 27 B11R1.15 CCCC(=O)N1CC[C@H](C1)N CSC012926917 [0,0,0,1,0,0|2,0,0]=3 28 B11R1.15 CCCC(=O)N1CC[C@H](C1)O CSC012447084 [0,0,0,1,0,0|2,0,0]=3 29 B11R1.15 CCNC(=O)C1CCN(C1)C CSC015427873 [0,0,0,1,0,0|3,0,0]=4 30 B11R1.15 CCNC(=O)N1CCC(C1)N CSC000705615 [0,0,0,1,0,0|3,0,0]=4 31 B11R1.15 CCNC(=O)N1CC[C@@H](C1)N CSC012983631 [0,0,0,1,0,0|3,0,0]=4 32 B11R1.15 CCNC(=O)N1CC[C@H](C1)N CSC012983294 [0,0,0,1,0,0|3,0,0]=4 33 B11R1.720 CC(C)CCNC(=O)C1CC1 CSC000159401 [0,0,0,1,0,0|1,0,0]=2 34 B11R1.720 CN(C)CCNC(=O)C1CC1 CSC000159992 [0,0,0,1,0,0|2,0,0]=3 35 B9R0.48 CCCC(=O)OCC(C)C CSC000005790 [0,0,0,0,1,0|0,0,0]=1 36 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [0,0,0,0,1,0|2,0,1]=4 37 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [0,0,0,0,1,0|1,0,0]=2 38 B9R0.48 CNCC(=O)NCC(C)C CSC000168150 [0,0,0,0,1,0|2,0,0]=3 39 B11R0.176 CCCC(=O)OCCCC(=O)C CSC000031040 [0,0,0,0,0,1|1,0,1]=3 40 B11R0.176 CCNC(=O)NCCCN(C)C CSC000163502 [0,0,0,0,0,1|3,0,0]=4 41 B11R0.176 COCC(=O)NCCCN(C)C CSC000159979 [0,0,0,0,0,1|3,0,0]=4 42 B8R0.7 CCCCSCC(C)C CSC000018356 [2,0,0,0,0,0|0,1,1]=4 43 B8R0.4 CCCCSCCCC CSC000025195 [2,0,0,0,0,0|0,1,1]=4 44 B8R0.1 CCCCS(=O)CCO CSC000117714 [2,0,0,0,0,0|2,0,0]=4 45 B8R0.1 CCOC(=O)CCSC CSC000173045 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.1 CCOC(=O)CSCC CSC000172126 [2,0,0,0,0,0|2,0,0]=4 47 B10R0.65 CCS(=O)(=O)NCCC(C)C CSC000169639 [1,1,0,0,0,0|2,0,0]=4 48 B10R0.98 CC(C)CCNC(=O)C(C)C CSC000171972 [1,1,0,0,0,0|1,0,0]=3 49 B10R0.98 CC(C)CCOC(=O)C(C)C CSC000024460 [1,1,0,0,0,0|0,0,0]=2 50 B10R0.6 CCCCOC(=O)CC(C)C CSC011212304 [1,1,0,0,0,0|0,0,2]=4 51 B10R0.97 CC(C)CCSCCC(C)C CSC000043246 [1,1,0,0,0,0|0,1,1]=4 52 B10R0.1 CCCC(=O)OCCCCO CSC000073227 [1,1,0,0,0,0|0,0,0]=2 53 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [1,1,0,0,0,0|2,0,0]=4 54 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [1,1,0,0,0,0|2,0,0]=4 55 B10R0.1 CCCCCNC(=O)COC CSC000157996 [1,1,0,0,0,0|2,0,0]=4 56 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [1,1,0,0,0,0|0,0,0]=2 57 B10R0.1 COCCCNC(=O)COC CSC000159247 [1,1,0,0,0,0|2,0,0]=4 58 B10R0.2 CCCC(C)NC(=O)CNC CSC000225643 [1,1,0,0,0,0|2,0,0]=4 59 B10R0.2 CCCC(C)NC(=O)COC CSC000208403 [1,1,0,0,0,0|2,0,0]=4 60 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [1,1,0,0,0,0|2,0,0]=4 61 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [1,1,0,0,0,0|1,0,0]=3 62 B10R0.91 CCCCNC(=O)NCCC CSC000163429 [1,1,0,0,0,0|1,0,0]=3 63 B10R0.91 CCCNC(=O)NCCOC CSC000163156 [1,1,0,0,0,0|2,0,0]=4 64 B10R0.26 CCOC(=O)CN(C)C(C)C CSC000227145 [0,1,0,0,1,0|2,0,0]=4 65 B10R0.26 COCC(=O)NC(C)C(C)C CSC000208441 [0,1,0,0,1,0|2,0,0]=4 66 B10R0.96 CC(C)CNC(=O)CC(C)C CSC000160783 [0,1,0,0,1,0|1,0,0]=3 67 B10R0.109 CCCC(=O)NCC(C)(C)C CSC011466744 [0,1,0,0,1,0|1,0,0]=3 68 B10R0.109 CCOC(=O)CCC(C)(C)C CSC012130662 [0,1,0,0,1,0|1,0,0]=3 69 B10R0.109 CCOC(=O)CCC(C)(F)F CSC000054117 [0,1,0,0,1,0|2,0,0]=4 70 B12R0.72 COCC(=O)NCCSC(C)(C)C CSC017474982 [0,1,0,0,0,1|2,0,0]=4 71 B12R0.95 CC(C)CCSCC(=O)NCCN CSC056944566 [0,1,0,0,0,1|1,1,0]=4 72 B12R0.95 CCCCC(=O)NCCCN(C)C CSC000024829 [0,1,0,0,0,1|2,0,0]=4 73 B12R0.95 CCCNC(=O)NCCCN(C)C CSC000163501 [0,1,0,0,0,1|2,0,0]=4 74 B12R0.140 CC(C)CCNC(=O)CS(=O)(=O)C CSC017463931 [0,2,0,0,0,0|2,0,0]=4 75 B12R0.177 CCCS(=O)(=O)NCCC(C)(C)O CSC013663238 [0,2,0,0,0,0|2,0,0]=4 76 B12R0.331 CCCNS(=O)(=O)NCCC(C)C CSC020340757 [0,2,0,0,0,0|2,0,0]=4 77 B12R0.331 COCCS(=O)(=O)NCCC(C)C CSC019792511 [0,2,0,0,0,0|2,0,0]=4 78 B12R0.44 CC(C)CCNC(=O)CCC(=O)O CSC000199397 [0,2,0,0,0,0|1,0,1]=4 79 B12R0.44 CC(C)CCOC(=O)CCC(=O)C CSC000076651 [0,2,0,0,0,0|0,0,0]=2 80 B12R0.233 CC(C)CCNC(=O)CSCC#N CSC017463932 [0,2,0,0,0,0|1,0,1]=4 81 B12R0.233 CCCCCC(=O)OCCC(C)C CSC000024457 [0,2,0,0,0,0|0,0,0]=2 82 B12R0.233 CCCSCC(=O)NCCC(C)N CSC057012599 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.14 CC1CCN(C1)C(=O)CN CSC011434122 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.14 COC(=O)C1CCC(C1)C CSC010443940 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.150 CC1CC(C1)NC(=O)CN CSC012918362 [1,0,0,1,0,0|2,0,0]=4 86 B10R1.10 CCCN1CCCC(C1)C CSC047234187 [1,0,0,1,0,0|2,0,0]=4 87 B10R1.16 CCCCN1CCC(C1)C CSC015424907 [1,0,0,1,0,0|1,0,1]=4 88 B10R1.16 CCCNC1CCC(C1)C CSC012090475 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.66 CC(C)CCN1CCCC1 CSC000224194 [1,0,0,1,0,0|1,0,1]=4 90 B10R1.141 CCCNC1CCC1(C)C CSC014782461 [1,0,0,1,0,0|2,0,0]=4 91 B10R1.11 COCC(=O)N1CCCC1 CSC000158196 [1,0,0,1,0,0|2,0,0]=4 92 B10R1.11 NCCC(=O)N1CCCC1 CSC000195578 [1,0,0,1,0,0|2,0,0]=4 93 B10R1.137 CCNC(=O)NC1CCC1 CSC011910442 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [1,0,0,1,0,0|2,0,0]=4 95 B10R1.186 CCCCNC(=O)C1CC1 CSC000159052 [1,0,0,1,0,0|1,0,0]=3 96 B10R1.186 COCCNC(=O)C1CC1 CSC000157847 [1,0,0,1,0,0|2,0,0]=4 97 B10R1.186 OCCCNC(=O)C1CC1 CSC000208351 [1,0,0,1,0,0|2,0,0]=4 98 B10R1.1 CCCN1CCC(CC1)C CSC046230074 [0,0,0,1,1,0|2,0,0]=4 99 B10R1.95 CCCN1CCC(C1)(C)C CSC046554388 [0,0,0,1,1,0|2,0,0]=4 100 B10R1.140 CCOC(=O)C1CC(C1)C CSC009829402 [0,0,0,1,1,0|1,0,0]=3 101 B10R1.140 COCC(=O)N1CC(C1)C CSC015989043 [0,0,0,1,1,0|2,0,0]=4 102 B10R1.211 CC(C)CNC(=O)C1CC1 CSC000160776 [0,0,0,1,1,0|1,0,0]=3 103 B12R1.17 CC1CCCN(C1)C(=O)CCN CSC000748623 [0,0,0,1,0,1|2,0,0]=4 104 B12R1.17 CC1CN(CCN1)C(=O)CCN CSC046081299 [0,0,0,1,0,1|2,0,0]=4 105 B12R1.17 CC1CN(CCO1)C(=O)CCN CSC011195685 [0,0,0,1,0,1|2,0,0]=4 106 B12R1.17 CCNC(=O)C1CCCC(C1)C CSC009892720 [0,0,0,1,0,1|2,0,0]=4 107 B12R1.17 CCNC(=O)C1CCOC(C1)C CSC015890932 [0,0,0,1,0,1|2,0,0]=4 108 B12R1.17 CCNC(=O)C1CN(CCO1)C CSC015379595 [0,0,0,1,0,1|2,0,0]=4 109 B12R1.17 CNCC(=O)N1CCNC(C1)C CSC046255724 [0,0,0,1,0,1|2,0,0]=4 110 B12R1.17 CNCC(=O)N1CCN[C@@H](C1)C CSC046123096 [0,0,0,1,0,1|2,0,0]=4 111 B12R1.17 CNCC(=O)N1CCN[C@H](C1)C CSC046218163 [0,0,0,1,0,1|2,0,0]=4 112 B12R1.17 CNCC(=O)N1CCOC(C1)C CSC000241860 [0,0,0,1,0,1|2,0,0]=4 113 B12R1.17 COCC(=O)N1CCCC(C1)C CSC000158593 [0,0,0,1,0,1|2,0,0]=4 114 B12R1.17 C[C@@H]1CN(CCN1)C(=O)CCN CSC046117310 [0,0,0,1,0,1|2,0,0]=4 115 B12R1.17 C[C@H]1CN(CCN1)C(=O)CCN CSC046155700 [0,0,0,1,0,1|2,0,0]=4 116 B12R1.279 CCCC1CN(CCO1)C(C)C CSC015337087 [0,0,0,1,0,1|1,0,1]=4 117 B12R1.1356 CN(C)CCCNC(=O)C1CC1 CSC000159971 [0,0,0,1,0,1|2,0,0]=4 118 B12R1.103 CC(C)CC(=O)N1CC[C@@H](C1)O CSC012447300 [0,1,0,1,0,0|2,0,0]=4 119 B12R1.103 CC(C)CC(=O)N1CC[C@H](C1)O CSC012447094 [0,1,0,1,0,0|2,0,0]=4 120 B12R1.2685 CC(C)NC(=O)NC1CC1(C)C CSC011436097 [0,1,0,1,0,0|2,0,0]=4 121 B12R1.2685 CC(C)NC(=O)N[C@H]1CC1(C)C CSC046665341 [0,1,0,1,0,0|2,0,0]=4 122 B12R1.16 CC1CCN(CC1)C(=O)CCN CSC011195675 [0,1,0,1,0,0|2,0,0]=4 123 B12R1.16 CCCC(=O)N1CCC(CC1)C CSC000161171 [0,1,0,1,0,0|1,0,0]=3 124 B12R1.16 COCC(=O)N1CCC(CC1)C CSC000161183 [0,1,0,1,0,0|2,0,0]=4 125 B12R1.1580 COCC(=O)N1CCC(C1)(C)O CSC012605625 [0,1,0,1,0,0|2,0,0]=4 126 B12R1.314 COCC(=O)N1CC(C(C1)N)C CSC014043232 [0,1,0,1,0,0|2,0,0]=4 127 B12R1.33 CCC(C)C(=O)N1CCC(C1)N CSC011600422 [0,1,0,1,0,0|2,0,0]=4 128 B12R1.33 CCC(C)C(=O)N1CC[C@@H](C1)N CSC012936678 [0,1,0,1,0,0|2,0,0]=4 129 B12R1.33 CCC(C)C(=O)N1CC[C@@H](C1)O CSC012447417 [0,1,0,1,0,0|2,0,0]=4 130 B12R1.33 CCC(C)C(=O)N1CC[C@H](C1)N CSC012926816 [0,1,0,1,0,0|2,0,0]=4 131 B12R1.33 CCC(C)C(=O)N1CC[C@H](C1)O CSC012447211 [0,1,0,1,0,0|2,0,0]=4 132 B12R1.312 CCNC(=O)N1CCC(C1)NC CSC012982875 [0,1,0,1,0,0|2,0,0]=4 133 B12R2.3412 CCOC(=O)C1CC1C2CC2 CSC016231765 [0,0,0,2,0,0|2,0,0]=4 134 B8R0.9 COC(=O)CSC(C)C CSC000151538 [1,0,0,0,1,0|2,0,0]=4 135 B12R0.277 CNCC(=O)NCCCOC(C)C CSC000225790 [0,0,0,0,0,2|2,0,0]=4 136 B12R0.277 COCC(=O)NCCCOC(C)C CSC000161849 [0,0,0,0,0,2|2,0,0]=4