0 B9R0.35 CCCC(C)C(=O)OCC CSC011217054 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.1 CCCCS(=O)CCO CSC000117714 [1,0,0,0,0,0|3,0,0]=4 2 B8R0.1 CCOC(=O)CCSC CSC000173045 [1,0,0,0,0,0|1,0,0]=2 3 B8R0.1 CCOC(=O)CSCC CSC000172126 [1,0,0,0,0,0|1,0,0]=2 4 B8R0.3 CCOC(=O)C(C)SC CSC000756453 [1,0,0,0,0,0|1,0,0]=2 5 B10R0.19 CCCOC(=O)C(C)CCC CSC011217736 [0,1,0,0,0,0|0,0,0]=1 6 B10R0.32 CCCC(C)C(=O)NC(C)C CSC000174269 [0,1,0,0,0,0|1,0,0]=2 7 B10R0.129 CCOC(=O)C(C)(C)CC=C CSC000082643 [0,1,0,0,0,0|0,0,2]=3 8 B10R1.2 CCN1CCCC(C1C)C CSC046618708 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.4 CCCN1CCCCC1C CSC046166745 [0,0,0,1,0,0|3,0,0]=4 10 B10R1.11 CCCN(C)C1CCCC1 CSC048500926 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.11 CCNC(=O)C1CCCN1 CSC011197115 [0,0,0,1,0,0|2,0,0]=3 12 B10R1.11 CCNC(=O)C1CCNC1 CSC011790733 [0,0,0,1,0,0|2,0,0]=3 13 B10R1.11 CCNC(=O)C1CCOC1 CSC011558105 [0,0,0,1,0,0|2,0,0]=3 14 B10R1.11 CCNC(=O)C1CSCN1 CSC011222803 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.11 CCNC(=O)[C@@H]1CCCN1 CSC011422904 [0,0,0,1,0,0|2,0,0]=3 16 B10R1.11 CCNC(=O)[C@@H]1CCNC1 CSC018701730 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.11 CCNC(=O)[C@H]1CCNC1 CSC015592258 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.11 CCNC(=O)[C@H]1CSCN1 CSC046269313 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.11 CCNC(C)C1CCCC1 CSC011351776 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.11 CCOC(=O)C1=CCCC1 CSC009876662 [0,0,0,1,0,0|0,0,2]=3 21 B10R1.11 CCOC(=O)C1CC=CC1 CSC011934596 [0,0,0,1,0,0|0,0,2]=3 22 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [0,0,0,1,0,0|1,0,0]=2 23 B10R1.11 CCOC(=O)C1CCSC1 CSC012019184 [0,0,0,1,0,0|1,0,0]=2 24 B10R1.11 COCC(=O)N1CCCC1 CSC000158196 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.11 NCCC(=O)N1CCCC1 CSC000195578 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.130 CCCN1CC(CC1C)C CSC046637471 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.140 CCOC(=O)C1CC(=O)C1 CSC000094141 [0,0,0,1,0,0|1,0,1]=3 28 B10R1.140 CCOC(=O)C1CC(C1)C CSC009829402 [0,0,0,1,0,0|0,0,0]=1 29 B10R1.140 COCC(=O)N1CC(C1)C CSC015989043 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.401 CCNC(=O)C1(CCC1)N CSC012868886 [0,0,0,1,0,0|2,0,0]=3 31 B10R0.2 CCCC(C)NC(=O)CNC CSC000225643 [0,0,0,0,0,1|2,0,0]=3 32 B10R0.2 CCCC(C)NC(=O)COC CSC000208403 [0,0,0,0,0,1|2,0,0]=3 33 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,0,0,0,0,1|1,0,0]=2 34 B10R0.2 COCC(C)NC(=O)COC CSC000161538 [0,0,0,0,0,1|3,0,0]=4 35 B9R0.4 CCCCC(=O)OC(C)C CSC000169914 [1,1,0,0,0,0|0,0,0]=2 36 B9R0.4 CCCNC(=O)NC(C)C CSC000163085 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.4 CCCOC(=O)CC(C)C CSC000170144 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.4 CNCCC(=O)NC(C)C CSC011534604 [1,1,0,0,0,0|2,0,0]=4 39 B9R0.5 CCCC(=O)NCCSC CSC000161292 [1,1,0,0,0,0|2,0,0]=4 40 B9R0.5 CCCCCC(=O)OCC CSC000170156 [1,1,0,0,0,0|0,0,0]=2 41 B9R0.5 CCCCNC(=O)CNC CSC000213093 [1,1,0,0,0,0|2,0,0]=4 42 B9R0.5 CCCCNC(=O)COC CSC000159063 [1,1,0,0,0,0|2,0,0]=4 43 B9R0.5 CCCCNC(=O)NCC CSC000163430 [1,1,0,0,0,0|1,0,0]=3 44 B9R0.5 CCCCOC(=O)CCC CSC011212260 [1,1,0,0,0,0|1,0,0]=3 45 B9R0.5 CCNC(=O)NCCOC CSC000163157 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [1,1,0,0,0,0|0,0,1]=3 47 B9R0.5 CCOC(=O)CSCC#N CSC000172129 [1,1,0,0,0,0|1,0,1]=4 48 B9R0.8 CCCOC(=O)C(C)CC CSC011213261 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.18 CCCCC(=O)OCCC CSC000169915 [1,1,0,0,0,0|0,0,0]=2 50 B9R0.18 CCCCS(=O)CCCC CSC000031468 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.18 CCCNC(=O)NCCC CSC000163711 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.34 CCCC(=O)OC(C)CC CSC000062825 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.34 CCCC(C)NC(=O)CC CSC000174104 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.34 CCOC(=O)CC(C)CC CSC011218107 [1,1,0,0,0,0|0,0,0]=2 55 B9R0.48 CCCC(=O)OCC(C)C CSC000005790 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [1,1,0,0,0,0|0,0,1]=3 57 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [1,1,0,0,0,0|0,0,0]=2 58 B9R0.12 CCCC(OC)C(=O)OC CSC048932557 [1,1,0,0,0,0|0,0,0]=2 59 B9R0.12 CCCN(CC)C(=O)CN CSC011283607 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.19 CCOC(=O)C(C)(C)C#N CSC011216776 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.19 CCOC(=O)C(C)(C)C=C CSC012186761 [1,1,0,0,0,0|0,0,2]=4 62 B9R0.19 CCOC(=O)C(C)(C)CO CSC011765865 [1,1,0,0,0,0|1,0,0]=3 63 B9R0.19 CCOC(=O)C(C)(C)SC CSC000036217 [1,1,0,0,0,0|1,0,0]=3 64 B9R0.23 CC(C)CN(C)C(=O)CN CSC011284681 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.23 CNC(=O)C(N)CC(C)C CSC000746592 [1,1,0,0,0,0|2,0,0]=4 66 B9R0.23 COC(=O)[C@@H](C)NC(=O)C CSC011995889 [1,1,0,0,0,0|1,0,1]=4 67 B9R0.23 COC(=O)[C@H](C)NC(=O)C CSC011418566 [1,1,0,0,0,0|1,0,1]=4 68 B9R0.37 CCCC(=O)N(CC)CC CSC000158721 [1,1,0,0,0,0|2,0,0]=4 69 B9R0.60 COC(=O)C(C)(C)CC=C CSC010261411 [1,1,0,0,0,0|0,0,2]=4 70 B11R0.5 CCCNC(=O)CC(=O)OCC CSC000058579 [0,1,0,0,0,1|1,0,1]=4 71 B11R0.5 CCCNC(=O)NC(C)CCC CSC000163701 [0,1,0,0,0,1|1,0,0]=3 72 B11R0.5 CCOC(=O)CN(C)CCOC CSC011408476 [0,1,0,0,0,1|1,0,0]=3 73 B11R0.191 CCCCC(CC)C(=O)OCC CSC011302611 [0,2,0,0,0,0|0,0,0]=2 74 B11R0.179 CCOC(=O)C(C)N(CC)CC CSC000216026 [0,2,0,0,0,0|1,0,0]=3 75 B9R1.11 CNC(=O)C1CCSC1 CSC012026102 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.11 COC(=O)C1CCCS1 CSC012019181 [1,0,0,1,0,0|1,0,0]=3 77 B11R1.30 CCCC(=O)OC1CCCC1 CSC016221133 [0,0,0,1,0,1|1,0,0]=3 78 B11R1.30 CCNC(=O)NC1CCNC1 CSC000700497 [0,0,0,1,0,1|2,0,0]=4 79 B11R1.30 CCOC(=O)C=C1CCCC1 CSC000054197 [0,0,0,1,0,1|0,0,1]=3 80 B11R1.30 CCOC(=O)CC1CCCO1 CSC011219920 [0,0,0,1,0,1|1,0,0]=3 81 B11R1.30 CCOC(=O)CN1CCCC1 CSC000188105 [0,0,0,1,0,1|1,0,0]=3 82 B11R1.30 COCC(=O)NC1CCCC1 CSC000160952 [0,0,0,1,0,1|2,0,0]=4 83 B11R1.30 COCC(=O)NC1CCCC1 CSC000160952 [0,0,0,1,0,1|2,0,0]=4 84 B11R1.334 CCCC(C)NC(=O)C1CC1 CSC000172017 [0,0,0,1,0,1|1,0,0]=3 85 B11R1.334 COCC(C)NC(=O)C1CC1 CSC000161528 [0,0,0,1,0,1|2,0,0]=4 86 B11R1.13 CC1N(CCNC1=O)CCN CSC000723484 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.13 CC1N(CCNC1=O)CCO CSC046198574 [0,1,0,1,0,0|2,0,0]=4 88 B11R1.13 CCCN1CCOC(C1C)C CSC049113804 [0,1,0,1,0,0|1,0,1]=4 89 B11R1.15 CCCC(=O)N1CCC(C1)N CSC011600442 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.15 CCCC(=O)N1CC[C@@H](C1)N CSC012936781 [0,1,0,1,0,0|2,0,0]=4 91 B11R1.15 CCCC(=O)N1CC[C@@H](C1)O CSC012447290 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.15 CCCC(=O)N1CC[C@H](C1)N CSC012926917 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.15 CCCC(=O)N1CC[C@H](C1)O CSC012447084 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.15 CCNC(=O)C1CCN(C1)C CSC015427873 [0,1,0,1,0,0|1,0,0]=3 95 B11R1.15 CCNC(=O)N1CCC(C1)N CSC000705615 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.15 CCNC(=O)N1CC[C@@H](C1)N CSC012983631 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.15 CCNC(=O)N1CC[C@H](C1)N CSC012983294 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.15 CCOC(=O)C1CNC(=O)C1 CSC011840728 [0,1,0,1,0,0|1,0,1]=4 99 B11R1.16 CCCC(=O)N1CCOCC1 CSC000158644 [0,1,0,1,0,0|2,0,0]=4 100 B11R1.16 CCNC(=O)C1CCCCC1 CSC000160126 [0,1,0,1,0,0|1,0,0]=3 101 B11R1.16 CCNC(=O)N1CCOCC1 CSC000163406 [0,1,0,1,0,0|2,0,0]=4 102 B11R1.16 CCOC(=O)C1CCC=CC1 CSC011212228 [0,1,0,1,0,0|0,0,1]=3 103 B11R1.16 CCOC(=O)C1CCC=CO1 CSC000082644 [0,1,0,1,0,0|0,0,2]=4 104 B11R1.29 C=CCNC(=O)C1CCCC1 CSC000160324 [0,1,0,1,0,0|1,0,1]=4 105 B11R1.29 CCCNC(=O)C1CCCC1 CSC000161742 [0,1,0,1,0,0|1,0,0]=3 106 B11R1.29 CCCNC(=O)C1CCCO1 CSC000161660 [0,1,0,1,0,0|2,0,0]=4 107 B11R1.29 CCCNC(=O)[C@@H]1CCCN1 CSC011422784 [0,1,0,1,0,0|2,0,0]=4 108 B11R1.29 CNCCC(=O)N1CCCC1 CSC000232456 [0,1,0,1,0,0|2,0,0]=4 109 B11R1.819 CCNC(=O)C1(CCSC1)O CSC015259551 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.819 CCOC(=O)C1(CCCC1)O CSC011290502 [0,1,0,1,0,0|0,0,0]=2 111 B11R1.77 CC(C)NC(=O)C1CCCC1 CSC000157569 [0,1,0,1,0,0|1,0,0]=3 112 B11R1.77 CC(C)NC(=O)C1CCOC1 CSC011569545 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.77 CC(C)NC(=O)[C@@H]1CCNC1 CSC020179856 [0,1,0,1,0,0|2,0,0]=4 114 B11R1.77 CC(C)NC(=O)[C@H]1CCNC1 CSC018272542 [0,1,0,1,0,0|2,0,0]=4 115 B11R1.77 CC(N)CC(=O)N1CCCC1 CSC011356990 [0,1,0,1,0,0|2,0,0]=4 116 B11R1.821 CCNC(=O)C1CC(C1)(F)F CSC015275093 [0,1,0,1,0,0|2,0,0]=4 117 B11R1.831 CCNC(=O)C1(CCC1)C#N CSC012080189 [0,1,0,1,0,0|1,0,1]=4 118 B11R1.31 CCN(C)C(=O)[C@@H]1CCNC1 CSC019469138 [0,1,0,1,0,0|2,0,0]=4 119 B11R1.31 CCN(C)C(=O)[C@H]1CCNC1 CSC019758336 [0,1,0,1,0,0|2,0,0]=4