0 B10R1.66 CC(=O)NCC1CCCN1 CSC011696608 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.66 CC(=O)NCC1CCCO1 CSC000158280 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.66 CC(=O)NCC1CCSC1 CSC014215000 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.66 CC(=O)NN=C1CCCC1 CSC000004134 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.66 CC(=O)OCC1CCCO1 CSC000006207 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.66 CC(C)NCC1CCCC1 CSC011269212 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.66 CC(C)NCC1CCCO1 CSC000223896 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.66 CC(C)SCC1CCCO1 CSC015450385 [0,0,0,0,0,0|1,1,1]=3 8 B10R1.66 NC(=O)CCC1CCCC1 CSC000162258 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.66 NC(=O)COC1CCCC1 CSC011347441 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.25 CCC(=O)NCC1CCCO1 CSC000158285 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.25 CCC(=O)OCC1CCCO1 CSC000006213 [0,1,0,0,0,0|0,0,0]=1 12 B11R1.25 CCC(C)NCC1CCCO1 CSC000223433 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.25 CNC(=O)NCC1CCCO1 CSC000235169 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.25 NNC(=O)CCC1CCCC1 CSC000189796 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.77 CC(NC(=O)N)C1CCCO1 CSC011311000 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.90 CC(=O)NCC1CCCC1O CSC012367623 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.90 CN1CCCC1CNC(=O)N CSC011528812 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.510 CS(=O)(=O)CCC1CCCO1 CSC016057751 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.510 CS(=O)(=O)NCC1CCCN1 CSC011696700 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.713 CC1(CCCO1)CNC(=O)N CSC012709651 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.713 NC(=O)NCC1(CCCC1)O CSC011855633 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.2 CCC=CCCOC(=O)C CSC015190845 [0,0,1,0,0,0|1,0,1]=3 23 B9R0.2 CCCCCCCC(=O)N CSC011216093 [0,0,1,0,0,0|3,0,0]=4 24 B9R0.2 CCCCCCOC(=O)C CSC000032130 [0,0,1,0,0,0|1,0,0]=2 25 B9R0.2 CCOCCCNC(=O)C CSC000161218 [0,0,1,0,0,0|3,0,0]=4 26 B9R0.43 CCC(CC)COC(=O)C CSC000036730 [0,0,1,0,0,0|1,0,0]=2 27 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [0,0,1,0,0,0|2,0,1]=4 28 B9R1.13 CC(=O)NC1CCSC1 CSC012483018 [0,0,0,0,1,0|3,0,0]=4 29 B9R1.13 CS(=O)CC1CCCO1 CSC009859342 [0,0,0,0,1,0|1,0,0]=2 30 B11R1.91 CC(=O)NCC1=CCCCC1 CSC010505009 [0,0,0,0,0,1|2,0,1]=4 31 B11R1.91 CC(=O)NCC1CCCCC1 CSC000159420 [0,0,0,0,0,1|2,0,0]=3 32 B11R1.91 CC(=O)NCC1CCCNC1 CSC011207013 [0,0,0,0,0,1|2,0,0]=3 33 B11R1.91 CC(=O)NCC1CCNCC1 CSC011206997 [0,0,0,0,0,1|2,0,0]=3 34 B11R1.91 CC(=O)OCC1CCCCC1 CSC000000618 [0,0,0,0,0,1|1,0,0]=2 35 B11R1.91 CC(=O)OCC1CCCCO1 CSC000006128 [0,0,0,0,0,1|0,0,0]=1 36 B11R1.91 CC(C)SCC1CCCCO1 CSC015890546 [0,0,0,0,0,1|1,1,1]=4 37 B11R1.91 NC(=O)CCC1CCCCC1 CSC000162346 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.91 NC(=O)CCC1CCNCC1 CSC000695769 [0,0,0,0,0,1|3,0,0]=4 39 B11R1.91 NC(=O)NCC1CCCCO1 CSC011512277 [0,0,0,0,0,1|2,0,0]=3 40 B11R1.91 NC(=O)NCC1CCCSC1 CSC015335565 [0,0,0,0,0,1|2,1,0]=4 41 B11R1.91 NC(=O)NCC1CCSCC1 CSC011991091 [0,0,0,0,0,1|3,0,0]=4 42 B8R0.4 CSCCCCCCO CSC012179070 [1,0,1,0,0,0|2,0,0]=4 43 B8R0.9 CC(CBr)COC(=O)C CSC009841261 [1,0,1,0,0,0|1,0,0]=3 44 B10R0.4 CC(=O)OCCCCCC=C CSC000037147 [0,1,1,0,0,0|1,0,0]=3 45 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [0,1,1,0,0,0|2,0,0]=4 46 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [0,1,1,0,0,0|1,0,0]=3 47 B10R0.4 CCCCOCCOC(=O)C CSC000032999 [0,1,1,0,0,0|0,0,0]=2 48 B10R0.4 COCCOCCOC(=O)C CSC000062832 [0,1,1,0,0,0|0,0,0]=2 49 B10R0.74 CCC=CCCOC(=O)CC CSC020656764 [0,1,1,0,0,0|1,0,1]=4 50 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [0,1,1,0,0,0|2,0,0]=4 51 B10R0.74 CCCCCCNC(=O)NC CSC000235370 [0,1,1,0,0,0|2,0,0]=4 52 B10R0.97 CC(=O)NCCCCC(=O)O CSC011593336 [0,1,1,0,0,0|1,0,1]=4 53 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [1,1,0,0,0,0|0,0,2]=4 54 B10R1.27 CNC(=O)CC1CCCO1 CSC011295658 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.27 COC(=O)CC1CCCO1 CSC000244803 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.23 CN(C1CCCC1)C(=O)C CSC011196654 [0,1,0,0,1,0|2,0,0]=4 57 B10R1.353 CC(=O)NCC1(CCC1)N CSC013341849 [0,1,0,0,1,0|1,0,0]=3 58 B12R1.21 CC1CCC(CC1)CNC(=O)C CSC011466729 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.21 CN1CCC(CC1)CNC(=O)C CSC011382780 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.27 CCC(=O)NCC1CCNCC1 CSC011207001 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.27 CNC(=O)CCC1CCCNC1 CSC011533958 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.27 CNC(=O)NCC1CCCOC1 CSC011407004 [0,1,0,0,0,1|1,0,0]=3 63 B12R1.27 CNC(=O)NCC1CCOCC1 CSC011653241 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.43 CN(CC1CCCCO1)C(=O)N CSC011419414 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.125 CC1CC=CCC1COC(=O)C CSC000026606 [0,1,0,0,0,1|1,0,1]=4 66 B12R1.125 CC1CCCCC1CNC(=O)C CSC011500032 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.125 CC1COCCC1CNC(=O)C CSC015246556 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.226 CC1CC(CCO1)CNC(=O)C CSC015329359 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.226 CC1CCCC(C1)CNC(=O)C CSC011466721 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.3110 CC(=O)NCC1(CCCCC1)C CSC012768579 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.3110 CC(=O)NCC1(CCCNC1)C CSC013328373 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.3110 CC(=O)NCC1(CCNCC1)C CSC013328399 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.3110 CC(=O)NCC1(CCOCC1)C CSC012691598 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.264 OC(=O)C(=O)NCC1CCCO1 CSC011297336 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.26 CNC(=O)NCC1CCC(C1)C CSC014233728 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.51 CCCC(=O)NCC1CCCO1 CSC000158282 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.51 CCCC(=O)OCC1CCCO1 CSC000006210 [0,2,0,0,0,0|0,0,0]=2 78 B12R1.51 CCNC(=O)CCC1CCCC1 CSC000160163 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.51 CCOC(=O)CCC1CCCC1 CSC000170312 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.51 CNCC(=O)NCC1CCCO1 CSC000178247 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.51 COCC(=O)NCC1CCCO1 CSC000158294 [0,2,0,0,0,0|1,0,0]=3 82 B12R1.196 CCS(=O)(=O)NCC1CCCO1 CSC000171074 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.353 CN1CCCC1CNC(=O)CN CSC011598846 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.353 CNC(=O)NCC1CCCC1C CSC014234560 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.1677 CNC(=O)NCC1(CCCC1)C CSC011930005 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.924 CC(=O)NCC1CCCC1(C)C CSC015968451 [0,2,0,0,0,0|2,0,0]=4 87 B10R1.18 CC(=O)NC1CCCCC1 CSC000158227 [0,0,1,1,0,0|2,0,0]=4 88 B10R1.18 CC(=O)NC1CCCOC1 CSC011884898 [0,0,1,1,0,0|1,0,0]=3 89 B10R1.18 CC(=O)OC1CCCCC1 CSC000026541 [0,0,1,1,0,0|1,0,0]=3 90 B10R1.18 NC(=O)CC1CCCCO1 CSC000725203 [0,0,1,1,0,0|2,0,0]=4 91 B10R1.18 NC(=O)OC1CCCCC1 CSC000123476 [0,0,1,1,0,0|2,0,0]=4 92 B10R1.39 CC(=O)N1CCCC1CN CSC000706156 [0,0,1,1,0,0|2,0,0]=4 93 B10R1.39 CC(=O)N1CCCC1CO CSC011474066 [0,0,1,1,0,0|1,0,0]=3 94 B10R1.39 CC(=O)N1CCC[C@H]1CO CSC012003343 [0,0,1,1,0,0|1,0,0]=3 95 B10R1.61 CC1CNCCN1C(=O)C CSC011725993 [0,0,1,1,0,0|2,0,0]=4 96 B10R1.61 C[C@@H]1CNCCN1C(=O)C CSC012025876 [0,0,1,1,0,0|2,0,0]=4 97 B10R1.61 C[C@@H]1COCCN1C(=O)C CSC014106315 [0,0,1,1,0,0|1,0,0]=3 98 B10R1.61 C[C@H]1CNCCN1C(=O)C CSC012025909 [0,0,1,1,0,0|2,0,0]=4 99 B10R1.348 CC(=O)N1CCCCCC1 CSC000157747 [0,0,1,1,0,0|2,0,0]=4 100 B10R1.113 CC(=O)N1CCCC(C1)N CSC011448215 [0,0,1,1,0,0|2,0,0]=4 101 B10R1.113 CC(=O)N1CCCC(C1)O CSC011196156 [0,0,1,1,0,0|1,0,0]=3 102 B10R1.113 CC(=O)N1CCC[C@@H](C1)O CSC012179998 [0,0,1,1,0,0|1,0,0]=3 103 B10R1.113 CC(=O)N1CCC[C@H](C1)N CSC012662833 [0,0,1,1,0,0|2,0,0]=4 104 B10R1.113 CC(=O)N1CCC[C@H](C1)O CSC009851125 [0,0,1,1,0,0|1,0,0]=3 105 B10R1.113 CC1CCCN(C1)C(=O)C CSC000158579 [0,0,1,1,0,0|2,0,0]=4 106 B10R1.113 CC1CN(CCO1)C(=O)C CSC000243026 [0,0,1,1,0,0|1,0,0]=3 107 B10R1.113 C[C@H]1CN(CCO1)C(=O)C CSC047888309 [0,0,1,1,0,0|1,0,0]=3 108 B12R2.6 Cc1noc(n1)C2CCCO2 CSC015404618 [0,0,0,1,0,1|1,0,1]=4 109 B12R2.6 Cc1noc(n1)[C@@H]2CCCO2 CSC015252978 [0,0,0,1,0,1|1,0,1]=4 110 B12R2.6 Cc1noc(n1)[C@H]2CCCO2 CSC015317659 [0,0,0,1,0,1|1,0,1]=4 111 B12R2.295 COC(=O)C1CC12CCCC2 CSC015323421 [0,1,0,1,0,0|2,0,0]=4 112 B12R2.1596 COC(=O)C1CC2CCC1C2 CSC000222203 [0,1,0,1,0,0|2,0,0]=4 113 B12R2.1596 OCC(=O)N1CC2CCC1C2 CSC015375244 [0,1,0,1,0,0|2,0,0]=4 114 B12R2.253 CC(=O)N1CC2CCC(C1)O2 CSC012475426 [0,1,0,1,0,0|1,0,0]=3 115 B10R1.17 CCSCC1CCCCO1 CSC015326925 [1,0,0,0,0,1|0,1,1]=4 116 B12R1.252 CC(=O)NCCC1CCNCC1 CSC011370063 [0,0,0,0,0,2|2,0,0]=4 117 B12R1.252 CC(=O)OCCC1CCCCC1 CSC009881819 [0,0,0,0,0,2|1,0,0]=3