0 B9R0.35 CCCC(C)C(=O)OCC CSC011217054 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.1 CCCCS(=O)CCO CSC000117714 [1,0,0,0,0,0|2,0,0]=3 2 B8R0.1 CCOC(=O)CCSC CSC000173045 [1,0,0,0,0,0|2,0,0]=3 3 B8R0.1 CCOC(=O)CSCC CSC000172126 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.3 CCOC(=O)C(C)SC CSC000756453 [1,0,0,0,0,0|3,0,0]=4 5 B10R0.19 CCCOC(=O)C(C)CCC CSC011217736 [0,1,0,0,0,0|1,0,0]=2 6 B10R0.32 CCCC(C)C(=O)NC(C)C CSC000174269 [0,1,0,0,0,0|2,0,0]=3 7 B10R1.4 CCCN1CCCCC1C CSC046166745 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.11 CCCN(C)C1CCCC1 CSC048500926 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.11 CCNC(=O)C1CCCN1 CSC011197115 [0,0,0,1,0,0|2,0,0]=3 10 B10R1.11 CCNC(=O)C1CCNC1 CSC011790733 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.11 CCNC(=O)C1CCOC1 CSC011558105 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.11 CCNC(=O)C1CSCN1 CSC011222803 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.11 CCNC(=O)[C@@H]1CCCN1 CSC011422904 [0,0,0,1,0,0|2,0,0]=3 14 B10R1.11 CCNC(=O)[C@@H]1CCNC1 CSC018701730 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.11 CCNC(=O)[C@H]1CCNC1 CSC015592258 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.11 CCNC(=O)[C@H]1CSCN1 CSC046269313 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.11 CCOC(=O)C1=CCCC1 CSC009876662 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [0,0,0,1,0,0|1,0,0]=2 19 B10R1.11 CCOC(=O)C1CCSC1 CSC012019184 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.11 COCC(=O)N1CCCC1 CSC000158196 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.11 NCCC(=O)N1CCCC1 CSC000195578 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.130 CCCN1CC(CC1C)C CSC046637471 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.140 CCOC(=O)C1CC(C1)C CSC009829402 [0,0,0,1,0,0|2,0,0]=3 24 B10R1.140 COCC(=O)N1CC(C1)C CSC015989043 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.401 CCNC(=O)C1(CCC1)N CSC012868886 [0,0,0,1,0,0|2,0,0]=3 26 B10R0.2 CCCC(C)NC(=O)CNC CSC000225643 [0,0,0,0,0,1|2,0,0]=3 27 B10R0.2 CCCC(C)NC(=O)COC CSC000208403 [0,0,0,0,0,1|2,0,0]=3 28 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,0,0,0,0,1|1,0,0]=2 29 B10R0.2 COCC(C)NC(=O)COC CSC000161538 [0,0,0,0,0,1|3,0,0]=4 30 B9R0.4 CCCCC(=O)OC(C)C CSC000169914 [1,1,0,0,0,0|1,0,0]=3 31 B9R0.4 CCCNC(=O)NC(C)C CSC000163085 [1,1,0,0,0,0|2,0,0]=4 32 B9R0.4 CCCOC(=O)CC(C)C CSC000170144 [1,1,0,0,0,0|1,0,0]=3 33 B9R0.4 CNCCC(=O)NC(C)C CSC011534604 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.5 CCCC(=O)NCCSC CSC000161292 [1,1,0,0,0,0|1,0,0]=3 35 B9R0.5 CCCCCC(=O)OCC CSC000170156 [1,1,0,0,0,0|1,0,0]=3 36 B9R0.5 CCCCNC(=O)CNC CSC000213093 [1,1,0,0,0,0|1,0,0]=3 37 B9R0.5 CCCCNC(=O)COC CSC000159063 [1,1,0,0,0,0|1,0,0]=3 38 B9R0.5 CCCCNC(=O)NCC CSC000163430 [1,1,0,0,0,0|1,0,0]=3 39 B9R0.5 CCCCOC(=O)CCC CSC011212260 [1,1,0,0,0,0|0,0,0]=2 40 B9R0.5 CCNC(=O)NCCOC CSC000163157 [1,1,0,0,0,0|2,0,0]=4 41 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [1,1,0,0,0,0|1,0,1]=4 42 B9R0.5 COCCNC(=O)COC CSC000157859 [1,1,0,0,0,0|2,0,0]=4 43 B9R0.8 CCCOC(=O)C(C)CC CSC011213261 [1,1,0,0,0,0|1,0,0]=3 44 B9R0.18 CCCCC(=O)OCCC CSC000169915 [1,1,0,0,0,0|0,0,0]=2 45 B9R0.18 CCCCN(C)CCCC CSC000020957 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.18 CCCCN(C)CCCN CSC011191814 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.18 CCCCS(=O)CCCC CSC000031468 [1,1,0,0,0,0|1,0,0]=3 48 B9R0.18 CCCNC(=O)NCCC CSC000163711 [1,1,0,0,0,0|1,0,0]=3 49 B9R0.34 CCC(C)NC(=O)CNC CSC000225638 [1,1,0,0,0,0|2,0,0]=4 50 B9R0.34 CCC(C)NC(=O)COC CSC000157950 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.34 CCCC(=O)OC(C)CC CSC000062825 [1,1,0,0,0,0|1,0,0]=3 52 B9R0.34 CCOC(=O)CC(C)CC CSC011218107 [1,1,0,0,0,0|1,0,0]=3 53 B9R0.48 CCCC(=O)OCC(C)C CSC000005790 [1,1,0,0,0,0|1,0,0]=3 54 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [1,1,0,0,0,0|1,0,1]=4 55 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [1,1,0,0,0,0|1,0,0]=3 56 B9R0.48 CNCC(=O)NCC(C)C CSC000168150 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.66 CCCCS(=O)(=O)CCO CSC000106901 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.12 CCCC(OC)C(=O)OC CSC048932557 [1,1,0,0,0,0|1,0,0]=3 59 B9R0.23 CNC(=O)C(N)CC(C)C CSC000746592 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.37 CCCC(=O)N(CC)CC CSC000158721 [1,1,0,0,0,0|2,0,0]=4 61 B11R0.5 CCCNC(=O)NC(C)CCC CSC000163701 [0,1,0,0,0,1|1,0,0]=3 62 B11R0.191 CCCCC(CC)C(=O)OCC CSC011302611 [0,2,0,0,0,0|2,0,0]=4 63 B9R1.73 CSCC(=O)N1CCC1 CSC015245199 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.11 COC(=O)C1CCCS1 CSC012019181 [1,0,0,1,0,0|1,1,0]=4 65 B11R1.30 CCCC(=O)OC1CCCC1 CSC016221133 [0,0,0,1,0,1|1,0,0]=3 66 B11R1.30 CCOC(=O)CC1CCCO1 CSC011219920 [0,0,0,1,0,1|1,0,0]=3 67 B11R1.30 COCC(=O)NC1CCCC1 CSC000160952 [0,0,0,1,0,1|2,0,0]=4 68 B11R1.30 COCC(=O)NC1CCCC1 CSC000160952 [0,0,0,1,0,1|2,0,0]=4 69 B11R1.334 CCCC(C)NC(=O)C1CC1 CSC000172017 [0,0,0,1,0,1|1,0,0]=3 70 B11R1.334 COCC(C)NC(=O)C1CC1 CSC000161528 [0,0,0,1,0,1|2,0,0]=4 71 B11R1.15 CCCC(=O)N1CCC(C1)N CSC011600442 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.15 CCCC(=O)N1CC[C@@H](C1)N CSC012936781 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.15 CCCC(=O)N1CC[C@@H](C1)O CSC012447290 [0,1,0,1,0,0|2,0,0]=4 74 B11R1.15 CCCC(=O)N1CC[C@H](C1)N CSC012926917 [0,1,0,1,0,0|2,0,0]=4 75 B11R1.15 CCCC(=O)N1CC[C@H](C1)O CSC012447084 [0,1,0,1,0,0|2,0,0]=4 76 B11R1.15 CCNC(=O)C1CCN(C1)C CSC015427873 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.16 CCCC(=O)N1CCOCC1 CSC000158644 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.16 CCNC(=O)C1CCCCC1 CSC000160126 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.16 CCOC(=O)C1CCC=CO1 CSC000082644 [0,1,0,1,0,0|1,0,1]=4 80 B11R1.16 COCC(=O)N1CCCOC1 CSC015275105 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.29 CCCNC(=O)C1CCCC1 CSC000161742 [0,1,0,1,0,0|1,0,0]=3 82 B11R1.29 CCCNC(=O)C1CCCO1 CSC000161660 [0,1,0,1,0,0|0,0,0]=2 83 B11R1.29 CCCNC(=O)[C@@H]1CCCN1 CSC011422784 [0,1,0,1,0,0|1,0,0]=3 84 B11R1.29 CNCCC(=O)N1CCCC1 CSC000232456 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.819 CCNC(=O)C1(CCSC1)O CSC015259551 [0,1,0,1,0,0|1,0,0]=3 86 B11R1.819 CCOC(=O)C1(CCCC1)O CSC011290502 [0,1,0,1,0,0|1,0,0]=3 87 B11R1.77 CC(C)NC(=O)C1CCCC1 CSC000157569 [0,1,0,1,0,0|2,0,0]=4 88 B11R1.77 CC(N)CC(=O)N1CCCC1 CSC011356990 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.831 CCNC(=O)C1(CCC1)C#N CSC012080189 [0,1,0,1,0,0|2,0,0]=4