0 B11R0.191 CCCCC(CC)C(=O)OCC CSC011302611 [0,0,0,0,0,0|0,0,0]=0 1 B10R0.85 CCCCC(CC)C(=O)NC CSC011221039 [1,0,0,0,0,0|1,0,0]=2 2 B10R0.85 CCCCC(CC)C(=O)NN CSC011221128 [1,0,0,0,0,0|2,0,0]=3 3 B10R0.85 CCCCC(CC)C(=O)OC CSC011302608 [1,0,0,0,0,0|0,0,0]=1 4 B12R0.80 CCOC(=O)C(CC)SC(C)C#N CSC019401882 [0,1,0,0,0,0|2,0,1]=4 5 B12R0.215 CCCCC(CC)C(=O)OC(C)C CSC011834260 [0,1,0,0,0,0|0,0,0]=1 6 B12R0.351 CCCCC(CC)C(=O)OCCC CSC011216918 [0,1,0,0,0,0|0,0,0]=1 7 B12R1.16 CC1CCN(CC1)C(=O)CCN CSC011195675 [0,0,0,1,0,0|3,0,0]=4 8 B12R1.16 CCCC(=O)N1CCC(CC1)C CSC000161171 [0,0,0,1,0,0|2,0,0]=3 9 B12R1.16 CCNC(=O)N1CCC(CC1)N CSC011269715 [0,0,0,1,0,0|3,0,0]=4 10 B12R1.16 CCOC(=O)C1CCC(CC1)O CSC011219671 [0,0,0,1,0,0|1,0,0]=2 11 B12R1.16 COCC(=O)N1CCC(CC1)C CSC000161183 [0,0,0,1,0,0|3,0,0]=4 12 B12R1.308 CCNC(=O)[C@H]1NCCO[C@@H]1C CSC046167690 [0,0,0,1,0,0|3,0,0]=4 13 B12R1.308 CCOC(=O)C1=C(OCCC1)C CSC000036422 [0,0,0,1,0,0|1,0,2]=4 14 B12R1.312 CCNC(=O)N1CCC(C1)NC CSC012982875 [0,0,0,1,0,0|3,0,0]=4 15 B12R1.1564 CCCC(=O)N1CCCNCC1 CSC000743687 [0,0,0,1,0,0|3,0,0]=4 16 B12R1.1564 CCNC(=O)C1CCCCCC1 CSC011750764 [0,0,0,1,0,0|1,0,0]=2 17 B12R1.1564 CCOC(=O)C1CCCCCC1 CSC011707495 [0,0,0,1,0,0|0,0,0]=1 18 B12R1.1564 CNCC(=O)N1CCCCCC1 CSC000180253 [0,0,0,1,0,0|3,0,0]=4 19 B12R1.1564 COCC(=O)N1CCCCCC1 CSC000157780 [0,0,0,1,0,0|3,0,0]=4 20 B12R1.1579 CCOC(=O)C1CCN(C1=O)C CSC000103565 [0,0,0,1,0,0|2,0,1]=4 21 B9R0.5 CCCCCC(=O)OCC CSC000170156 [2,0,0,0,0,0|0,0,0]=2 22 B9R0.5 CCCCNC(=O)NCC CSC000163430 [2,0,0,0,0,0|2,0,0]=4 23 B9R0.5 CCCCOC(=O)CCC CSC011212260 [2,0,0,0,0,0|2,0,0]=4 24 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [2,0,0,0,0,0|1,0,1]=4 25 B9R0.8 COC(=O)N(C)CCCN CSC000739217 [2,0,0,0,0,0|2,0,0]=4 26 B9R0.35 CCCC(C)C(=O)OCC CSC011217054 [2,0,0,0,0,0|0,0,0]=2 27 B9R0.12 CCCC(OC)C(=O)OC CSC048932557 [2,0,0,0,0,0|1,0,0]=3 28 B9R0.12 CCCN(CC)C(=O)CN CSC011283607 [2,0,0,0,0,0|2,0,0]=4 29 B9R0.37 CCCC(=O)N(CC)CC CSC000158721 [2,0,0,0,0,0|2,0,0]=4 30 B11R0.164 CCCCC(CC)COC(=O)C CSC000031748 [1,1,0,0,0,0|0,0,2]=4 31 B13R0.114 CCCCC(CC)CC(=O)NCCN CSC056712883 [0,1,0,0,0,1|1,0,0]=3 32 B13R0.114 CCCCC(CN)NC(=O)CCCC CSC012816335 [0,1,0,0,0,1|2,0,0]=4 33 B13R0.114 CCCCC(CN)NC(=O)CCCN CSC057421405 [0,1,0,0,0,1|2,0,0]=4 34 B13R0.114 CCCCC(CN)NC(=O)CCOC CSC012816359 [0,1,0,0,0,1|2,0,0]=4 35 B13R0.114 CCCCC(CN)NC(=O)COCC CSC012816355 [0,1,0,0,0,1|1,0,0]=3 36 B13R0.522 CCCCC(CCC)NC(=O)CCN CSC012919016 [0,1,0,0,0,1|2,0,0]=4 37 B13R0.522 CCCCC(CCC)NC(=O)CNC CSC012933595 [0,1,0,0,0,1|2,0,0]=4 38 B13R0.522 CCCCC(COC)NC(=O)CCN CSC057755948 [0,1,0,0,0,1|2,0,0]=4 39 B13R0.522 CCCCC(COC)NC(=O)CNC CSC057353090 [0,1,0,0,0,1|2,0,0]=4 40 B13R0.1186 CCCCC(CN)NC(=O)CC(C)C CSC012816327 [0,1,0,0,0,1|2,0,0]=4 41 B13R0.1197 CCCCC(CN)NC(=O)C(C)CC CSC012816379 [0,1,0,0,0,1|2,0,0]=4 42 B13R0.1197 CCCCC(CN)NC(=O)[C@@H](N)CC CSC057322964 [0,1,0,0,0,1|2,0,0]=4 43 B13R0.132 CCC(C)CN(CC)C(=O)CCCN CSC012583114 [0,2,0,0,0,0|2,0,0]=4 44 B13R0.132 CCC(C)CN(CC)C(=O)CCNC CSC012583108 [0,2,0,0,0,0|2,0,0]=4 45 B13R0.302 CCCCN(CC)C(=O)C(C)C(C)N CSC013349699 [0,2,0,0,0,0|2,0,0]=4 46 B13R0.302 CCCCN(CC)C(=O)[C@@H](N)C(C)C CSC011423066 [0,2,0,0,0,0|2,0,0]=4 47 B13R0.379 CCCCC(CC)C(=O)NC(C)(C)C CSC012109756 [0,2,0,0,0,0|1,0,0]=3 48 B13R0.378 CCCCC(CC)C(=O)NCC(=O)O CSC011249630 [0,2,0,0,0,0|1,0,1]=4 49 B13R0.378 CCCCC(CC)C(=O)OCC(C)C CSC000054084 [0,2,0,0,0,0|0,0,0]=2 50 B13R0.1053 CCOCCN(CC)C(=O)CCCN CSC011905896 [0,2,0,0,0,0|2,0,0]=4 51 B13R0.1053 CCOCCN(CC)C(=O)CCNC CSC011905878 [0,2,0,0,0,0|2,0,0]=4 52 B13R0.1281 CCCCC(CC)C(=O)NCCNC CSC011722987 [0,2,0,0,0,0|1,0,0]=3 53 B13R0.1281 CCCCN(CC)C(=O)CCCNC CSC011357760 [0,2,0,0,0,0|2,0,0]=4 54 B13R0.1281 CCCCNC(=O)N(CC)CCCC CSC000178667 [0,2,0,0,0,0|2,0,0]=4 55 B13R0.1281 CCCCOC(=O)C(CC)CCCC CSC011216683 [0,2,0,0,0,0|0,0,0]=2 56 B11R1.41 CCCN1CCOCC1CC CSC047969828 [1,0,0,1,0,0|1,0,1]=4 57 B11R1.203 CCCNC1CCCCCC1 CSC000201645 [1,0,0,1,0,0|2,0,0]=4 58 B11R1.15 CCNC(=O)C1CCN(C1)C CSC015427873 [1,0,0,1,0,0|2,0,0]=4 59 B11R1.16 CCNC(=O)C1CCCCC1 CSC000160126 [1,0,0,1,0,0|1,0,0]=3 60 B11R1.16 CCOC(=O)C1CCC=CC1 CSC011212228 [1,0,0,1,0,0|0,0,2]=4 61 B11R1.819 CCOC(=O)C1(CCCC1)O CSC011290502 [1,0,0,1,0,0|1,0,0]=3 62 B11R1.22 CCC(=O)N1CCC(CC1)C CSC000161174 [1,0,0,1,0,0|1,0,0]=3 63 B11R1.22 CCC(=O)N1CCN(CC1)C CSC000157808 [1,0,0,1,0,0|2,0,0]=4 64 B11R1.22 COC(=O)C1CCC(CC1)O CSC011219047 [1,0,0,1,0,0|1,0,0]=3 65 B11R1.44 CCC(=O)N1CC[C@@H](C1)OC CSC015770736 [1,0,0,1,0,0|2,0,0]=4 66 B11R1.222 CNC(=O)N1CCCCC1C CSC000235144 [1,0,0,1,0,0|2,0,0]=4 67 B11R1.222 COC(=O)C1CCCCC1C CSC023680028 [1,0,0,1,0,0|0,0,0]=2 68 B11R1.222 COC(=O)C1CCCCN1C CSC000234682 [1,0,0,1,0,0|1,0,0]=3 69 B11R1.852 CCC(=O)N1CCCCCC1 CSC000157761 [1,0,0,1,0,0|1,0,0]=3 70 B11R1.852 COC(=O)C1CCCCCC1 CSC000699111 [1,0,0,1,0,0|0,0,0]=2 71 B11R1.852 COC(=O)N1CCCNCC1 CSC000748934 [1,0,0,1,0,0|2,0,0]=4 72 B11R1.865 CCC(=O)N1CCC(C1C)N CSC014903367 [1,0,0,1,0,0|2,0,0]=4 73 B13R1.19 CCCC(=O)NC1CCN(CC1)C CSC000203659 [0,0,0,1,0,1|2,0,0]=4 74 B13R1.19 CCNC(=O)CC1CCN(CC1)C CSC015522442 [0,0,0,1,0,1|2,0,0]=4 75 B13R1.19 CCNC(=O)NC1CCN(CC1)C CSC011321757 [0,0,0,1,0,1|2,0,0]=4 76 B13R1.19 CCNC(=O)N[C@H]1CC[C@@H](CC1)C [0,0,0,1,0,1|1,0,0]=3 77 B13R1.19 CCOC(=O)CN1CCC(CC1)C CSC000188102 [0,0,0,1,0,1|1,0,0]=3 78 B13R1.19 CCOC(=O)CN1CCN(CC1)C CSC000188103 [0,0,0,1,0,1|2,0,0]=4 79 B13R1.464 CCNC(=O)N1CCCCC1CC CSC000163204 [0,0,0,1,0,1|1,0,0]=3 80 B13R1.470 CCNC(=O)NC1CCCCC1C CSC000163756 [0,0,0,1,0,1|1,0,0]=3 81 B13R1.470 CCOC(=O)CN1CCCCC1C CSC000227853 [0,0,0,1,0,1|1,0,0]=3 82 B13R1.1524 CCNC(=O)N1C(CCC1CC)C CSC013175139 [0,0,0,1,0,1|1,0,0]=3 83 B13R1.1575 CCNC(=O)NC1CCCCCC1 CSC000163668 [0,0,0,1,0,1|1,0,0]=3 84 B13R1.1575 CCOC(=O)CC1CCCCCC1 CSC011830452 [0,0,0,1,0,1|0,0,0]=2 85 B13R1.1575 CCOC(=O)CN1CCCCCC1 CSC000223717 [0,0,0,1,0,1|1,0,0]=3 86 B13R1.1575 COCC(=O)NC1CCCCCC1 CSC000161076 [0,0,0,1,0,1|2,0,0]=4 87 B13R1.1511 CCNC(=O)C1CCC(=O)CC1C CSC015945413 [0,1,0,1,0,0|1,0,1]=4 88 B13R1.1511 CCNC(=O)N1CC[C@H](C[C@H]1C)C [0,1,0,1,0,0|2,0,0]=4 89 B13R1.1549 CCOC(=O)C1(CC1)C(=O)OCC CSC000243882 [0,1,0,1,0,0|1,0,1]=4 90 B13R1.4453 CCCC(=O)N1C(CCCC1C)C CSC000197721 [0,1,0,1,0,0|2,0,0]=4 91 B13R1.4453 CCCC(=O)N1[C@H](CCC[C@H]1C)C [0,1,0,1,0,0|2,0,0]=4 92 B13R1.460 CCNC(=O)N1CCCC(C1)CC CSC011350122 [0,1,0,1,0,0|2,0,0]=4 93 B13R1.466 CCCC(=O)N1CCC(C(C1)C)C CSC013125784 [0,1,0,1,0,0|2,0,0]=4 94 B13R1.466 CCNC(=O)N1CCC(C(C1)C)C CSC013125770 [0,1,0,1,0,0|2,0,0]=4 95 B13R1.1462 CCCC(=O)N1CCCCC(C1)C CSC015223547 [0,1,0,1,0,0|2,0,0]=4 96 B13R1.1462 CCNC(=O)N1CCCCC(C1)C CSC015448196 [0,1,0,1,0,0|2,0,0]=4 97 B13R1.1463 CCCC(=O)N1CCCC(CC1)C CSC011593869 [0,1,0,1,0,0|2,0,0]=4 98 B13R1.1463 CCCC(=O)N1CCCC(CC1)O CSC016204266 [0,1,0,1,0,0|2,0,0]=4 99 B13R1.1463 CCNC(=O)N1CCCC(CC1)C CSC011594037 [0,1,0,1,0,0|2,0,0]=4 100 B13R1.1463 CCNC(=O)N1CCCC(CC1)O CSC015825205 [0,1,0,1,0,0|2,0,0]=4 101 B13R1.1464 CCOC(=O)C1CCCCCCC1 CSC012002886 [0,1,0,1,0,0|0,0,0]=2 102 B13R1.1508 CCNC(=O)N1CCC(C1CC)C CSC015414642 [0,1,0,1,0,0|2,0,0]=4 103 B13R1.1512 CCCC(=O)N1CCC(CC1)(C)C CSC011775830 [0,1,0,1,0,0|2,0,0]=4 104 B13R1.1512 CCNC(=O)C1CCC(CC1)(C)C CSC015460315 [0,1,0,1,0,0|1,0,0]=3 105 B13R1.1512 CCNC(=O)N1CCC(CC1)(C)C CSC011776173 [0,1,0,1,0,0|2,0,0]=4 106 B13R1.1512 CCNC(=O)N1CCC(CC1)(C)O CSC012816638 [0,1,0,1,0,0|2,0,0]=4 107 B13R1.1512 CCOC(=O)C1CCC(CC1)(F)F CSC011218307 [0,1,0,1,0,0|1,0,0]=3 108 B13R1.4506 CCNC(=O)N1CCC(C1)(C)CC CSC015338779 [0,1,0,1,0,0|2,0,0]=4 109 B13R1.132 CC(C)NC(=O)C1CCC(CC1)O CSC010511134 [0,1,0,1,0,0|2,0,0]=4 110 B13R1.132 CC(C)NC(=O)C1CCN(CC1)C CSC015353937 [0,1,0,1,0,0|2,0,0]=4 111 B13R1.201 CC(C)CC(=O)N1CCCCC1C CSC016054502 [0,1,0,1,0,0|2,0,0]=4 112 B13R1.7456 CC(C)NC(=O)C1CCCCCC1 CSC011750768 [0,1,0,1,0,0|1,0,0]=3 113 B13R1.7456 CC(C)NC(=O)N1CCCCCC1 CSC000235422 [0,1,0,1,0,0|2,0,0]=4 114 B13R1.21 CCN(C)C(=O)C1CCC(CC1)O CSC015915921 [0,1,0,1,0,0|2,0,0]=4 115 B13R1.21 CCN(C)C(=O)C1CCN(CC1)C CSC015460495 [0,1,0,1,0,0|2,0,0]=4 116 B13R1.21 CCN(C)C(=O)N1CCC(CC1)C CSC013614894 [0,1,0,1,0,0|2,0,0]=4 117 B13R1.63 CCC1CCN(C1)C(=O)N(C)CC CSC013616623 [0,1,0,1,0,0|2,0,0]=4 118 B13R1.696 CCN(C)C(=O)C1CCCCC1C CSC047942797 [0,1,0,1,0,0|1,0,0]=3 119 B13R1.696 CCN(C)C(=O)N1CCCCC1C CSC013614901 [0,1,0,1,0,0|2,0,0]=4 120 B13R1.2620 CCC(C)C(=O)N1CCCCCC1 CSC011196964 [0,1,0,1,0,0|2,0,0]=4 121 B13R1.2620 CCN(C)C(=O)C1CCCCCC1 CSC015313432 [0,1,0,1,0,0|1,0,0]=3 122 B13R1.2620 CCN(C)C(=O)N1CCCCCC1 CSC013347371 [0,1,0,1,0,0|2,0,0]=4 123 B13R1.2637 CCN(C)C(=O)N1CCC(C1C)C CSC015211124 [0,1,0,1,0,0|2,0,0]=4 124 B13R1.465 CCNC(=O)C1CCCCC1(C)C CSC014186033 [0,1,0,1,0,0|1,0,0]=3 125 B13R1.17 CC1CCN(CC1)C(=O)CCCN CSC011211723 [0,1,0,1,0,0|2,0,0]=4 126 B13R1.17 CCCCC(=O)N1CCC(CC1)C CSC016362465 [0,1,0,1,0,0|2,0,0]=4 127 B13R1.17 CCCNC(=O)C1CCN(CC1)C CSC015683748 [0,1,0,1,0,0|2,0,0]=4 128 B13R1.17 CCCNC(=O)N1CCC(CC1)C CSC000163686 [0,1,0,1,0,0|2,0,0]=4 129 B13R1.674 CCCNC(=O)N1CCCCC1C CSC000163745 [0,1,0,1,0,0|2,0,0]=4 130 B13R1.2488 CCCNC(=O)N1CCCCCC1 CSC000163145 [0,1,0,1,0,0|2,0,0]=4 131 B13R1.2505 CCCNC(=O)N1CCC(C1C)C CSC015211007 [0,1,0,1,0,0|2,0,0]=4 132 B13R1.12 CCCC(=O)N1CCCC(C1C)C CSC012109356 [0,1,0,1,0,0|2,0,0]=4 133 B13R1.12 CCCC(=O)N1CCSC(C1C)C CSC012073638 [0,1,0,1,0,0|2,0,0]=4 134 B13R1.12 CCNC(=O)N1CCCC(C1C)C CSC012477485 [0,1,0,1,0,0|2,0,0]=4 135 B13R1.452 CCNC(=O)N1CCC(CC1)CC CSC011406984 [0,1,0,1,0,0|2,0,0]=4 136 B13R1.452 CCNC(=O)N1CCC(CC1)CN CSC011551944 [0,1,0,1,0,0|2,0,0]=4 137 B13R1.452 CCNC(=O)N1CCC(CC1)CO CSC011350085 [0,1,0,1,0,0|2,0,0]=4 138 B13R1.452 CCNC(=O)N1CCC(CC1)OC CSC000242395 [0,1,0,1,0,0|2,0,0]=4 139 B13R1.452 CCOC(=O)C1CCN(CC1)CC CSC000229090 [0,1,0,1,0,0|0,0,0]=2 140 B13R1.1552 CCNC(=O)C1(CCCCCC1)C CSC015629831 [0,1,0,1,0,0|1,0,0]=3 141 B13R2.520 CC1CCN(CC1)C(=O)C2CC2 CSC000161175 [0,0,0,2,0,0|2,0,0]=4 142 B13R2.856 CCOC(=O)C1CC2CC1C=C2 CSC000170596 [0,0,0,2,0,0|0,0,2]=4 143 B13R2.856 CCOC(=O)C1CC2CCC1C2 CSC011213090 [0,0,0,2,0,0|0,0,0]=2 144 B13R2.2283 O=C(C1CC1)N2CCCCCC2 CSC000157762 [0,0,0,2,0,0|2,0,0]=4 145 B11R0.5 CCOC(=O)CN(C)CCOC CSC011408476 [1,0,0,0,0,1|2,0,0]=4 146 B13R0.305 CCCCC(CC)CNC(=O)CCN CSC011437074 [0,0,0,0,0,2|2,0,0]=4 147 B13R0.305 CCCCC(CC)CNC(=O)CNC CSC000225777 [0,0,0,0,0,2|2,0,0]=4 148 B13R0.305 CCCCC(CC)CNC(=O)COC CSC000191442 [0,0,0,0,0,2|2,0,0]=4