0 B21R3.11589171 C#CC(C)NCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_200000035995 [0,0,0,0,0,0|1,0,3]=4 1 B21R3.11589171 C=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000185746 [0,0,0,0,0,0|0,0,2]=2 2 B21R3.11589171 C=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_200121576911 [0,0,0,0,0,0|0,0,2]=2 3 B21R3.11589171 CC(C#N)NCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000184139 [0,0,0,0,0,0|2,0,2]=4 4 B21R3.11589171 CC(CO)NCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100012180447 [0,0,0,0,0,0|2,0,1]=3 5 B21R3.11589171 CC(CO)NCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100012180447 [0,0,0,0,0,0|2,0,1]=3 6 B21R3.11589171 CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000210414 [0,0,0,0,0,0|0,0,0]=0 7 B21R3.11589171 CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000210414 [0,0,0,0,0,0|0,0,0]=0 8 B21R3.11589171 CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000210414 [0,0,0,0,0,0|0,0,0]=0 9 B21R3.11589171 CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000210414 [0,0,0,0,0,0|0,0,0]=0 10 B21R3.11589171 CCC(C)CCNC1CCc2c1c3c(cc2)OCC3 269862a_100020591266_100000097343 [0,0,0,0,0,0|3,0,1]=4 11 B21R3.11589171 CCC(C)NCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000758301 [0,0,0,0,0,0|1,0,1]=2 12 B21R3.11589171 CCC(C)NCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100011215416 [0,0,0,0,0,0|1,0,1]=2 13 B21R3.11589171 CNC(=O)CCNC1CCc2c1c3c(cc2)OCC3 269862a_100000738227_100000097343 [0,0,0,0,0,0|3,0,0]=3 14 B21R3.11589171 CNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 2708a_100020662519_106832991635 [0,0,0,0,0,0|1,0,0]=1 15 B21R3.11589171 CNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 2708a_100102657272_100020662519 [0,0,0,0,0,0|1,0,0]=1 16 B21R3.11589171 CNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100020662519_100102657272 [0,0,0,0,0,0|1,0,0]=1 17 B21R3.11589171 CNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100102657272_100020662519 [0,0,0,0,0,0|1,0,0]=1 18 B21R3.11589171 CNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_100020662519_100102657272 [0,0,0,0,0,0|1,0,0]=1 19 B21R3.11589171 CNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_106832991638_100020662519 [0,0,0,0,0,0|1,0,0]=1 20 B21R3.11589171 O=C(CO)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000210174 [0,0,0,0,0,0|1,0,0]=1 21 B21R3.11589171 O=C(CO)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000210174 [0,0,0,0,0,0|1,0,0]=1 22 B20R3.2980024 C#CCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000038162 [1,0,0,0,0,0|0,0,3]=4 23 B20R3.2980024 C#CCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000184674 [1,0,0,0,0,0|0,0,3]=4 24 B20R3.2980024 C=CCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000210623 [1,0,0,0,0,0|0,0,3]=4 25 B20R3.2980024 C=CCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100015514636 [1,0,0,0,0,0|0,0,3]=4 26 B20R3.2980024 CCCCCNC1CCc2c1c3c(cc2)OCC3 269862a_100000209983_100000097343 [1,0,0,0,0,0|2,0,1]=4 27 B20R3.2980024 CCCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000210303 [1,0,0,0,0,0|0,0,1]=2 28 B20R3.2980024 CCCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000210303 [1,0,0,0,0,0|0,0,1]=2 29 B20R3.2980024 CCOCCNC1CCc2c1c3c(cc2)OCC3 269862a_100011200944_100000097343 [1,0,0,0,0,0|3,0,0]=4 30 B20R3.2980024 CCSCCNC1CCc2c1c3c(cc2)OCC3 269862a_100000106463_100000097343 [1,0,0,0,0,0|3,0,0]=4 31 B20R3.2980024 COCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000766300 [1,0,0,0,0,0|1,0,1]=3 32 B20R3.2980024 CSCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100011218213 [1,0,0,0,0,0|1,0,1]=3 33 B20R3.2980024 CSCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100011218213 [1,0,0,0,0,0|1,0,1]=3 34 B20R3.2980024 FCCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100011217306 [1,0,0,0,0,0|1,0,1]=3 35 B20R3.2980024 FCCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100011217306 [1,0,0,0,0,0|1,0,1]=3 36 B20R3.2980024 N#CCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100011215382 [1,0,0,0,0,0|1,0,2]=4 37 B20R3.2980024 O=CCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_200015260668 [1,0,0,0,0,0|1,0,2]=4 38 B20R3.2980024 O=CCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_200009817547 [1,0,0,0,0,0|1,0,2]=4 39 B20R3.2980024 OCCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000211926 [1,0,0,0,0,0|1,0,1]=3 40 B20R3.2980024 OCCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000211926 [1,0,0,0,0,0|1,0,1]=3 41 B20R3.21853260 CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100015343762 [1,0,0,0,0,0|0,0,0]=1 42 B20R3.21853260 CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100015343762 [1,0,0,0,0,0|0,0,0]=1 43 B20R3.21853260 CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100015343762 [1,0,0,0,0,0|0,0,0]=1 44 B20R3.21853260 CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100103153847 [1,0,0,0,0,0|0,0,0]=1 45 B20R3.21853260 CC(C)NCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000210206 [1,0,0,0,0,0|1,0,1]=3 46 B20R3.21853260 CC(C)NCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000210206 [1,0,0,0,0,0|1,0,1]=3 47 B20R3.21853260 NC(=O)CCNC1CCc2c1c3c(cc2)OCC3 269862a_100000740010_100000097343 [1,0,0,0,0,0|3,0,0]=4 48 B22R3.68419034 CCS(=O)(=O)CCNC1CCc2c1c3c(cc2)OCC3 269862a_100000751051_100000097343 [0,1,0,0,0,0|3,0,0]=4 49 B22R3.68419034 CCS(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 270084a_100020662519_100000211323 [0,1,0,0,0,0|1,0,0]=2 50 B22R3.68419034 CCS(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 274078a_100020662519_100000211323 [0,1,0,0,0,0|1,0,0]=2 51 B22R3.68419034 CCS(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 40a_100020662519_100000053943 [0,1,0,0,0,0|1,0,0]=2 52 B22R3.68419034 O=S(=O)(CCl)NCCC1CCc2c1c3c(cc2)OCC3 270084a_100020662519_100000031410 [0,1,0,0,0,0|2,0,0]=3 53 B22R3.68419034 O=S(=O)(CCl)NCCC1CCc2c1c3c(cc2)OCC3 274078a_100020662519_100000031410 [0,1,0,0,0,0|2,0,0]=3 54 B22R3.87769445 C#CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100011220946 [0,1,0,0,0,0|0,0,1]=2 55 B22R3.87769445 C#CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100011220946 [0,1,0,0,0,0|0,0,1]=2 56 B22R3.87769445 C=CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000210193 [0,1,0,0,0,0|0,0,1]=2 57 B22R3.87769445 C=CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000210193 [0,1,0,0,0,0|0,0,1]=2 58 B22R3.87769445 C=CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000210193 [0,1,0,0,0,0|0,0,1]=2 59 B22R3.87769445 C=CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000210193 [0,1,0,0,0,0|0,0,1]=2 60 B22R3.87769445 CC(CC#N)NCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100009813641 [0,1,0,0,0,0|1,0,2]=4 61 B22R3.87769445 CC(CCO)NCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100009893172 [0,1,0,0,0,0|1,0,1]=3 62 B22R3.87769445 CC(CCO)NCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100009893172 [0,1,0,0,0,0|1,0,1]=3 63 B22R3.87769445 CC=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000210699 [0,1,0,0,0,0|0,0,1]=2 64 B22R3.87769445 CC=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000210699 [0,1,0,0,0,0|0,0,1]=2 65 B22R3.87769445 CC=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000210699 [0,1,0,0,0,0|0,0,1]=2 66 B22R3.87769445 CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000211992 [0,1,0,0,0,0|0,0,0]=1 67 B22R3.87769445 CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000211992 [0,1,0,0,0,0|0,0,0]=1 68 B22R3.87769445 CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000211992 [0,1,0,0,0,0|0,0,0]=1 69 B22R3.87769445 CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000211992 [0,1,0,0,0,0|0,0,0]=1 70 B22R3.87769445 CCCC(C)NCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000766640 [0,1,0,0,0,0|1,0,1]=3 71 B22R3.87769445 CCCC(C)NCCC1CCc2c1c3c(cc2)OCC3 270004a_100020662519_100000211909 [0,1,0,0,0,0|1,0,1]=3 72 B22R3.87769445 CCCC(C)NCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000766640 [0,1,0,0,0,0|1,0,1]=3 73 B22R3.87769445 CCNC(=O)CCNC1CCc2c1c3c(cc2)OCC3 269862a_100025743525_100000097343 [0,1,0,0,0,0|2,0,0]=3 74 B22R3.87769445 CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 2708a_100015525214_100020662519 [0,1,0,0,0,0|0,0,0]=1 75 B22R3.87769445 CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 2708a_100020662519_100015525214 [0,1,0,0,0,0|0,0,0]=1 76 B22R3.87769445 CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100015525214_100020662519 [0,1,0,0,0,0|0,0,0]=1 77 B22R3.87769445 CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100020662519_100015525214 [0,1,0,0,0,0|0,0,0]=1 78 B22R3.87769445 CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_100015525214_100020662519 [0,1,0,0,0,0|0,0,0]=1 79 B22R3.87769445 CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_100020662519_100015525214 [0,1,0,0,0,0|0,0,0]=1 80 B22R3.87769445 CNNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100020662519_100016993582 [0,1,0,0,0,0|1,0,0]=2 81 B22R3.87769445 CNNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_100016993582_100020662519 [0,1,0,0,0,0|1,0,0]=2 82 B22R3.87769445 CNNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_100020662519_100016993582 [0,1,0,0,0,0|1,0,0]=2 83 B22R3.87769445 COCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000210968 [0,1,0,0,0,0|0,0,0]=1 84 B22R3.87769445 COCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000210968 [0,1,0,0,0,0|0,0,0]=1 85 B22R3.87769445 COCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000210968 [0,1,0,0,0,0|0,0,0]=1 86 B22R3.87769445 COCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000210968 [0,1,0,0,0,0|0,0,0]=1 87 B22R3.87769445 COCC(C)NCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000765312 [0,1,0,0,0,0|1,0,1]=3 88 B22R3.87769445 COCC(C)NCCC1CCc2c1c3c(cc2)OCC3 270004a_100020662519_100000749346 [0,1,0,0,0,0|1,0,1]=3 89 B22R3.87769445 COCC(C)NCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000765312 [0,1,0,0,0,0|1,0,1]=3 90 B22R3.87769445 CSCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000184570 [0,1,0,0,0,0|0,0,0]=1 91 B22R3.87769445 CSCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000184570 [0,1,0,0,0,0|0,0,0]=1 92 B22R3.87769445 CSCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000184570 [0,1,0,0,0,0|0,0,0]=1 93 B22R3.87769445 CSCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000184570 [0,1,0,0,0,0|0,0,0]=1 94 B22R3.87769445 CSCC(C)NCCC1CCc2c1c3c(cc2)OCC3 270004a_100020662519_100011216314 [0,1,0,0,0,0|1,0,1]=3 95 B22R3.87769445 N#CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100051588842 [0,1,0,0,0,0|0,0,1]=2 96 B22R3.87769445 N#CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100051588842 [0,1,0,0,0,0|0,0,1]=2 97 B22R3.87769445 O=C(C=CBr)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100016273825 [0,1,0,0,0,0|0,0,2]=3 98 B22R3.87769445 O=C(C=CBr)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100016273825 [0,1,0,0,0,0|0,0,2]=3 99 B22R3.87769445 O=C(C=CCl)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_200016279998 [0,1,0,0,0,0|0,0,2]=3 100 B22R3.87769445 O=C(C=CCl)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_200016279998 [0,1,0,0,0,0|0,0,2]=3 101 B22R3.87769445 O=C(C=CCl)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_200016279998 [0,1,0,0,0,0|0,0,2]=3 102 B22R3.87769445 O=C(C=CI)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100016256311 [0,1,0,0,0,0|0,0,2]=3 103 B22R3.87769445 O=C(CCO)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100011216618 [0,1,0,0,0,0|0,0,0]=1 104 B22R3.88452640 CCC(CC)NCCC1CCc2c1c3c(cc2)OCC3 270004a_100020662519_100000210860 [0,1,0,0,0,0|1,0,1]=3 105 B22R3.88452640 O=CC(C=O)NCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000736813 [0,1,0,0,0,0|1,0,2]=4 106 B22R3.88452640 O=CC(C=O)NCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000736813 [0,1,0,0,0,0|1,0,2]=4 107 B22R3.102872318 CNC(=O)C(C)CNC1CCc2c1c3c(cc2)OCC3 269862a_100015187722_100000097343 [0,1,0,0,0,0|3,0,0]=4 108 B22R3.312186534 C=C(Br)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100009813364 [0,1,0,0,0,0|0,0,2]=3 109 B22R3.312186534 C=C(Br)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100009813364 [0,1,0,0,0,0|0,0,2]=3 110 B22R3.312186534 C=C(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000185857 [0,1,0,0,0,0|0,0,1]=2 111 B22R3.312186534 C=C(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000185857 [0,1,0,0,0,0|0,0,1]=2 112 B22R3.312186534 C=C(C)C(C)NCCC1CCc2c1c3c(cc2)OCC3 269862a_100020662519_100011216138 [0,1,0,0,0,0|1,0,2]=4 113 B22R3.312186534 C=C(Cl)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000039160 [0,1,0,0,0,0|0,0,2]=3 114 B22R3.312186534 C=C(Cl)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000039160 [0,1,0,0,0,0|0,0,2]=3 115 B22R3.312186534 C=C(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000036797 [0,1,0,0,0,0|0,0,2]=3 116 B22R3.312186534 C=C(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000036797 [0,1,0,0,0,0|0,0,2]=3 117 B22R3.312186534 CC(=O)C(C)NCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100009814033 [0,1,0,0,0,0|1,0,2]=4 118 B22R3.312186534 CC(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000210198 [0,1,0,0,0,0|0,0,0]=1 119 B22R3.312186534 CC(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000210198 [0,1,0,0,0,0|0,0,0]=1 120 B22R3.312186534 CC(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000210198 [0,1,0,0,0,0|0,0,0]=1 121 B22R3.312186534 CC(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000210198 [0,1,0,0,0,0|0,0,0]=1 122 B22R3.312186534 CC(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000062450 [0,1,0,0,0,0|0,0,0]=1 123 B22R3.312186534 CC(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000062450 [0,1,0,0,0,0|0,0,0]=1 124 B22R3.312186534 CC(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000062450 [0,1,0,0,0,0|0,0,0]=1 125 B22R3.312186534 CC(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000062450 [0,1,0,0,0,0|0,0,0]=1 126 B22R3.312186534 CN(C)C(=O)CCNC1CCc2c1c3c(cc2)OCC3 269862a_100000738053_100000097343 [0,1,0,0,0,0|3,0,0]=4 127 B22R3.312186534 CN(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 2708a_100020662519_100102631434 [0,1,0,0,0,0|1,0,0]=2 128 B22R3.312186534 C[C@@H](O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000717761 [0,1,0,0,0,0|0,0,0]=1 129 B22R3.312186534 C[C@H](O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_217856618621 [0,1,0,0,0,0|0,0,0]=1 130 B22R3.312186534 C[C@H](O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_217856618621 [0,1,0,0,0,0|0,0,0]=1 131 B22R3.312186534 NC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100011215815 [0,1,0,0,0,0|1,0,1]=3 132 B22R3.312186534 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(F)F 11a_100020662519_100000210393 [0,1,0,0,0,0|1,0,0]=2 133 B22R3.312186534 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(F)F 1626a_100020662519_100000210393 [0,1,0,0,0,0|1,0,0]=2 134 B22R3.312186534 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(F)F 240690a_100020662519_100000210393 [0,1,0,0,0,0|1,0,0]=2 135 B22R3.312186534 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(F)F 527a_100020662519_100000210393 [0,1,0,0,0,0|1,0,0]=2 136 B22R3.312186534 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(O)O 240690a_100020662519_100000233687 [0,1,0,0,0,0|1,0,0]=2 137 B20R2.247532 C=CC(=O)NCCNCCc1ccc2c(c1)CCO2 2230a_114873766552_100000763274 [0,0,1,0,0,0|1,0,2]=4 138 B20R2.247532 C=CC(=O)NCCOCCc1ccc2c(c1)CCO2 34a_100011304386_100000763274 [0,0,1,0,0,0|1,0,2]=4 139 B20R2.247532 CCC(=O)NCCNCCc1ccc2c(c1)CCO2 34a_100132302217_100000763274 [0,0,1,0,0,0|1,0,0]=2 140 B20R2.247532 CCC(=O)NCCOCCc1ccc2c(c1)CCO2 34a_200000158885_100000763274 [0,0,1,0,0,0|1,0,0]=2 141 B20R2.247532 CCC(=O)NCCOCCc1ccc2c(c1)CCO2 7a_200000158885_100000763274 [0,0,1,0,0,0|1,0,0]=2 142 B20R2.247532 CCC(=O)OCCOCCc1ccc2c(c1)CCO2 7a_200000031056_100000763274 [0,0,1,0,0,0|2,0,0]=3 143 B20R2.247532 CNC(=O)CCCNCCc1ccc2c(c1)CCO2 2230a_100000740002_100000763274 [0,0,1,0,0,0|3,0,0]=4 144 B20R2.247532 CNC(=O)CCCNCCc1ccc2c(c1)CCO2 34a_100000740002_100000763274 [0,0,1,0,0,0|3,0,0]=4 145 B20R2.247532 CNC(=O)CCCOCCc1ccc2c(c1)CCO2 34a_100012161074_100000741757 [0,0,1,0,0,0|3,0,0]=4 146 B20R2.247532 CNC(=O)CCCOCCc1ccc2c(c1)CCO2 7a_100012161074_100000741757 [0,0,1,0,0,0|3,0,0]=4 147 B20R2.247532 CNC(=O)CCCSCCc1ccc2c(c1)CCO2 62a_100000741757_100000763274 [0,0,1,0,0,0|3,0,0]=4 148 B20R2.247532 CNC(=O)CCCSCCc1ccc2c(c1)CCO2 62a_100000763274_100000741757 [0,0,1,0,0,0|3,0,0]=4 149 B20R2.247532 CNC(=O)NCCNCCc1ccc2c(c1)CCO2 34a_100015205895_100000763274 [0,0,1,0,0,0|2,0,0]=3 150 B20R2.247532 CNC(=O)OCCOCCc1ccc2c(c1)CCO2 34a_100012161074_200011997002 [0,0,1,0,0,0|3,0,0]=4 151 B20R2.247532 CNC(=O)OCCOCCc1ccc2c(c1)CCO2 7a_100012161074_200011997002 [0,0,1,0,0,0|3,0,0]=4 152 B20R2.247532 CNC(=O)OCCSCCc1ccc2c(c1)CCO2 62a_100000763274_200011997002 [0,0,1,0,0,0|3,0,0]=4 153 B20R2.247532 CNC(=O)OCCSCCc1ccc2c(c1)CCO2 62a_200011997002_100000763274 [0,0,1,0,0,0|3,0,0]=4 154 B20R2.247532 COC(=O)CCCCCNc1ccc2c(c1)CCO2 2230a_100000736984_100009816466 [0,0,1,0,0,0|3,0,0]=4 155 B20R2.247532 COC(=O)CCCCCNc1ccc2c(c1)CCO2 34a_100000736984_100009816466 [0,0,1,0,0,0|3,0,0]=4 156 B20R2.247532 COC(=O)CCCCCSc1ccc2c(c1)CCO2 62a_100000729065_100009816466 [0,0,1,0,0,0|3,0,0]=4 157 B20R2.247532 COC(=O)CCCCCSc1ccc2c(c1)CCO2 62a_100009816466_100000729065 [0,0,1,0,0,0|3,0,0]=4 158 B20R2.247532 COC(=O)CCCCNCc1ccc2c(c1)CCO2 2230a_100011219410_100000204269 [0,0,1,0,0,0|3,0,0]=4 159 B20R2.247532 COC(=O)CCCCNCc1ccc2c(c1)CCO2 34a_100011219410_100000204269 [0,0,1,0,0,0|3,0,0]=4 160 B20R2.247532 COC(=O)CCCCOCc1ccc2c(c1)CCO2 34a_100011219353_100000204269 [0,0,1,0,0,0|3,0,0]=4 161 B20R2.247532 COC(=O)CCCCOCc1ccc2c(c1)CCO2 7a_100011219353_100000204269 [0,0,1,0,0,0|3,0,0]=4 162 B20R2.247532 COC(=O)CCCOCCc1ccc2c(c1)CCO2 34a_100012161074_100000742333 [0,0,1,0,0,0|3,0,0]=4 163 B20R2.247532 COC(=O)CCCOCCc1ccc2c(c1)CCO2 7a_100012161074_100011218270 [0,0,1,0,0,0|3,0,0]=4 164 B20R2.247532 COC(=O)CCCSCCc1ccc2c(c1)CCO2 62a_100000763274_100011218270 [0,0,1,0,0,0|3,0,0]=4 165 B20R2.247532 COC(=O)CCCSCCc1ccc2c(c1)CCO2 62a_100011218270_100000763274 [0,0,1,0,0,0|3,0,0]=4 166 B20R2.247532 COC(=O)NCCOCCc1ccc2c(c1)CCO2 34a_100000757965_100000763274 [0,0,1,0,0,0|2,0,0]=3 167 B20R2.247532 COC(=O)OCCOCCc1ccc2c(c1)CCO2 34a_100010262106_100000763274 [0,0,1,0,0,0|3,0,0]=4 168 B22R4.1442325 c1cc2c(c3c1CCC3CCNC4CCC4)CCO2 270004a_100020662519_100000241760 [0,0,0,1,0,0|1,0,1]=3 169 B22R4.1442325 c1cc2c(c3c1CCC3CCNC4CCC4)CCO2 34a_100020662519_100000749161 [0,0,0,1,0,0|1,0,1]=3 170 B22R4.1442325 c1cc2c(c3c1CCC3CCNC4COC4)CCO2 34a_100020662519_100009818527 [0,0,0,1,0,0|2,0,1]=4 171 B22R4.1609501 O=C1CC(CN1)NC2CCc3c2c4c(cc3)OCC4 269862a_100000697751_100000097343 [0,0,0,1,0,0|3,0,0]=4 172 B20R3.693323 CCC(=O)NN=C1CCc2c1c3c(cc2)OCC3 4a_100000183195_100000097343 [0,0,0,0,1,0|1,0,1]=3 173 B20R3.693323 CCC(C)CNC1CCc2c1c3c(cc2)OCC3 269862a_100020588543_100000097343 [0,0,0,0,1,0|2,0,1]=4 174 B20R3.693323 CCC(O)CNC1CCc2c1c3c(cc2)OCC3 269862a_100011218483_100000097343 [0,0,0,0,1,0|1,0,2]=4 175 B20R3.693323 CNC(=O)CNC1CCc2c1c3c(cc2)OCC3 269862a_100000693194_100000097343 [0,0,0,0,1,0|2,0,0]=3 176 B22R3.100253165 C=C(C#N)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000694840 [0,0,0,0,0,1|2,0,1]=4 177 B22R3.100253165 C=C(C#N)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000694840 [0,0,0,0,0,1|2,0,1]=4 178 B22R3.100253165 CCC(=O)NCCNC1CCc2c1c3c(cc2)OCC3 269862a_100132302217_100000097343 [0,0,0,0,0,1|0,0,0]=1 179 B22R3.100253165 CCC(C)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000748023 [0,0,0,0,0,1|1,0,1]=3 180 B22R3.100253165 CCC(C)CNCCC1CCc2c1c3c(cc2)OCC3 270004a_100020662519_100000243153 [0,0,0,0,0,1|1,0,1]=3 181 B22R3.100253165 CCC(C)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000748023 [0,0,0,0,0,1|1,0,1]=3 182 B22R3.100253165 CCC(O)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100011218378 [0,0,0,0,0,1|0,0,2]=3 183 B22R3.100253165 CCC(O)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100011218378 [0,0,0,0,0,1|0,0,2]=3 184 B22R3.100253165 CC[C@H](C)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100009816398 [0,0,0,0,0,1|1,0,1]=3 185 B22R3.100253165 CC[C@H](C)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100009816398 [0,0,0,0,0,1|1,0,1]=3 186 B22R3.100253165 CNC(=O)CCCNC1CCc2c1c3c(cc2)OCC3 269862a_100000740002_100000097343 [0,0,0,0,0,1|2,0,0]=3 187 B22R3.100253165 CNC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000183359 [0,0,0,0,0,1|1,0,0]=2 188 B22R3.100253165 CNC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000183359 [0,0,0,0,0,1|1,0,0]=2 189 B22R3.100253165 CNC(=O)NCCNC1CCc2c1c3c(cc2)OCC3 269862a_100015205895_100000097343 [0,0,0,0,0,1|1,0,0]=2 190 B22R3.100253165 COC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000747449 [0,0,0,0,0,1|1,0,0]=2 191 B22R3.100253165 COC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000747449 [0,0,0,0,0,1|1,0,0]=2 192 B22R3.100253165 C[C@@H](CO)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000059175 [0,0,0,0,0,1|2,0,1]=4 193 B22R3.100253165 C[C@@H](CO)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000059175 [0,0,0,0,0,1|2,0,1]=4 194 B22R3.100253165 OCC(O)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100011219619 [0,0,0,0,0,1|1,0,2]=4 195 B22R3.100253165 OCC(O)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100011219619 [0,0,0,0,0,1|1,0,2]=4 196 B22R3.100253165 OC[C@H](O)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100009815848 [0,0,0,0,0,1|1,0,2]=4 197 B22R3.100253165 OC[C@H](O)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100009815848 [0,0,0,0,0,1|1,0,2]=4 198 B22R3.100253165 O[C@@H](CF)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100015614560 [0,0,0,0,0,1|1,0,2]=4 199 B22R3.100253165 O[C@@H](CF)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100015614560 [0,0,0,0,0,1|1,0,2]=4 200 B19R2.21503 CC/C=C\CCOCCc1ccc2c(c1)CCO2 34a_100012161074_100015370543 [1,0,1,0,0,0|2,0,0]=4 201 B19R2.21503 CC/C=C\CCOCCc1ccc2c(c1)CCO2 34a_100016288707_100000763274 [1,0,1,0,0,0|2,0,0]=4 202 B19R2.21503 CC/C=C\CCOCCc1ccc2c(c1)CCO2 7a_100012161074_100015370543 [1,0,1,0,0,0|2,0,0]=4 203 B19R2.21503 CC/C=C\CCOCCc1ccc2c(c1)CCO2 7a_100016288707_100000763274 [1,0,1,0,0,0|2,0,0]=4 204 B19R2.21503 CC/C=C\CCSCCc1ccc2c(c1)CCO2 62a_100000763274_100015370543 [1,0,1,0,0,0|2,0,0]=4 205 B19R2.21503 CC/C=C\CCSCCc1ccc2c(c1)CCO2 62a_100015370543_100000763274 [1,0,1,0,0,0|2,0,0]=4 206 B19R2.112595 CC(=O)CCCCNCc1ccc2c(c1)CCO2 34a_100011219410_100009817362 [1,0,1,0,0,0|2,0,0]=4 207 B19R2.112595 CC(=O)CCCCOCc1ccc2c(c1)CCO2 34a_100011219353_100009817362 [1,0,1,0,0,0|2,0,0]=4 208 B19R2.112595 CC(=O)CCCCOCc1ccc2c(c1)CCO2 7a_100011219353_100000735457 [1,0,1,0,0,0|2,0,0]=4 209 B19R2.112595 CC(=O)CCCOCCc1ccc2c(c1)CCO2 34a_100000759063_100000763274 [1,0,1,0,0,0|2,0,0]=4 210 B19R2.112595 CC(=O)CCCOCCc1ccc2c(c1)CCO2 34a_100012161074_100000685027 [1,0,1,0,0,0|2,0,0]=4 211 B19R2.112595 CC(=O)CCCOCCc1ccc2c(c1)CCO2 7a_100000759063_100000763274 [1,0,1,0,0,0|2,0,0]=4 212 B19R2.112595 CC(=O)CCCOCCc1ccc2c(c1)CCO2 7a_100012161074_100011215641 [1,0,1,0,0,0|2,0,0]=4 213 B19R2.112595 CC(=O)CCCSCCc1ccc2c(c1)CCO2 62a_100000763274_100011215641 [1,0,1,0,0,0|2,0,0]=4 214 B19R2.112595 CC(=O)CCCSCCc1ccc2c(c1)CCO2 62a_100011215641_100000763274 [1,0,1,0,0,0|2,0,0]=4 215 B19R2.112595 CC(=O)NCCCNCc1ccc2c(c1)CCC2 207a_100000736810_100000765347 [1,0,1,0,0,0|2,0,0]=4 216 B19R2.112595 CC(=O)NCCCNCc1ccc2c(c1)CCC2 270004a_100000736810_100000765347 [1,0,1,0,0,0|2,0,0]=4 217 B19R2.112595 CC(=O)NCCCNCc1ccc2c(c1)CCO2 207a_100000736810_100011218456 [1,0,1,0,0,0|1,0,0]=3 218 B19R2.112595 CC(=O)NCCCNCc1ccc2c(c1)CCO2 270004a_100000736810_100011218456 [1,0,1,0,0,0|1,0,0]=3 219 B19R2.112595 CC(=O)NCCCNCc1ccc2c(c1)OCO2 34a_100000736810_100000189651 [1,0,1,0,0,0|2,0,0]=4 220 B19R2.112595 CC(=O)NCCCOCc1ccc2c(c1)OCO2 34a_100000752032_100000189651 [1,0,1,0,0,0|2,0,0]=4 221 B19R2.112595 CC(=O)NCCNCCc1ccc2c(c1)CCO2 2230a_100000209853_100000763274 [1,0,1,0,0,0|1,0,0]=3 222 B19R2.112595 CC(=O)NCCNCCc1ccc2c(c1)OCO2 2230a_100000204656_100000189650 [1,0,1,0,0,0|2,0,0]=4 223 B19R2.112595 CC(=O)NCCOCCc1ccc2c(c1)CCO2 34a_100000158858_100000763274 [1,0,1,0,0,0|1,0,0]=3 224 B19R2.112595 CC(=O)NCCOCCc1ccc2c(c1)CCO2 7a_100012161074_100000189650 [1,0,1,0,0,0|1,0,0]=3 225 B19R2.112595 CC(=O)NCCSCCc1ccc2c(c1)CCO2 62a_100000189650_100000763274 [1,0,1,0,0,0|1,0,0]=3 226 B19R2.112595 CC(=O)NCCSCCc1ccc2c(c1)CCO2 62a_100000763274_100000189650 [1,0,1,0,0,0|1,0,0]=3 227 B19R2.112595 CC(=O)OCCCCNc1ccc2c(c1)CCO2 34a_100000736984_100000033659 [1,0,1,0,0,0|2,0,0]=4 228 B19R2.112595 CC(=O)OCCCCSc1ccc2c(c1)CCO2 62a_100000033659_100000729065 [1,0,1,0,0,0|2,0,0]=4 229 B19R2.112595 CC(=O)OCCCCSc1ccc2c(c1)CCO2 62a_100000729065_100000033659 [1,0,1,0,0,0|2,0,0]=4 230 B19R2.112595 CC(=O)OCCCNCc1ccc2c(c1)CCO2 34a_100011219410_100000042594 [1,0,1,0,0,0|2,0,0]=4 231 B19R2.112595 CC(=O)OCCCOCc1ccc2c(c1)CCO2 34a_100011219353_100000042594 [1,0,1,0,0,0|2,0,0]=4 232 B19R2.112595 CC(=O)OCCCOCc1ccc2c(c1)CCO2 7a_100011219353_100000042594 [1,0,1,0,0,0|2,0,0]=4 233 B19R2.112595 CC(=O)OCCOCCc1ccc2c(c1)CCO2 34a_100012161074_100009814007 [1,0,1,0,0,0|2,0,0]=4 234 B19R2.112595 CC(=O)OCCOCCc1ccc2c(c1)CCO2 7a_100012161074_100009814007 [1,0,1,0,0,0|2,0,0]=4 235 B19R2.112595 CC(=O)OCCSCCc1ccc2c(c1)CCO2 62a_100000763274_100009814007 [1,0,1,0,0,0|2,0,0]=4 236 B19R2.112595 CC(=O)OCCSCCc1ccc2c(c1)CCO2 62a_100009814007_100000763274 [1,0,1,0,0,0|2,0,0]=4 237 B19R2.112595 CC(=O)SCCCCNc1ccc2c(c1)CCO2 2230a_100000736984_200010402107 [1,0,1,0,0,0|2,0,0]=4 238 B19R2.112595 CC(=O)SCCCCNc1ccc2c(c1)CCO2 34a_100000736984_200010402107 [1,0,1,0,0,0|2,0,0]=4 239 B19R2.112595 CC(=O)SCCCCSc1ccc2c(c1)CCO2 62a_100000729065_200010402107 [1,0,1,0,0,0|2,0,0]=4 240 B19R2.112595 CC(=O)SCCCCSc1ccc2c(c1)CCO2 62a_200010402107_100000729065 [1,0,1,0,0,0|2,0,0]=4 241 B19R2.112595 CC(=O)SCCCNCc1ccc2c(c1)CCO2 2230a_100011219410_100000038929 [1,0,1,0,0,0|2,0,0]=4 242 B19R2.112595 CC(=O)SCCCNCc1ccc2c(c1)CCO2 34a_100011219410_100000038929 [1,0,1,0,0,0|2,0,0]=4 243 B19R2.112595 CC(=O)SCCCOCc1ccc2c(c1)CCO2 34a_100011219353_100000038929 [1,0,1,0,0,0|2,0,0]=4 244 B19R2.112595 CC(=O)SCCCOCc1ccc2c(c1)CCO2 7a_100011219353_100000038929 [1,0,1,0,0,0|2,0,0]=4 245 B19R2.112595 NC(=O)NCCNCCc1ccc2c(c1)CCO2 34a_100020590234_100000763274 [1,0,1,0,0,0|2,0,0]=4 246 B19R2.112595 NC(=O)NCCOCCc1ccc2c(c1)CCO2 34a_100000181757_100000763274 [1,0,1,0,0,0|2,0,0]=4 247 B19R2.112595 NC(=O)NCCOCCc1ccc2c(c1)CCO2 7a_100012161074_200000034859 [1,0,1,0,0,0|2,0,0]=4 248 B19R2.112595 NC(=O)NCCSCCc1ccc2c(c1)CCO2 62a_100000763274_200000034859 [1,0,1,0,0,0|2,0,0]=4 249 B19R2.112595 NC(=O)NCCSCCc1ccc2c(c1)CCO2 62a_200000034859_100000763274 [1,0,1,0,0,0|2,0,0]=4 250 B19R3.1608682 CCCCNC1CCc2c1c3c(cc2)OCC3 269862a_100000102301_100000097343 [2,0,0,0,0,0|1,0,1]=4 251 B19R3.1608682 CCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000210202 [2,0,0,0,0,0|0,0,0]=2 252 B19R3.1608682 CCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000210202 [2,0,0,0,0,0|0,0,0]=2 253 B19R3.1608682 FCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100015361967 [2,0,0,0,0,0|1,0,0]=3 254 B21R2.316783 CCOC(=O)CCCCCNc1ccc2c(c1)CCO2 2230a_100000736984_100000755133 [0,1,1,0,0,0|2,0,0]=4 255 B21R2.316783 CCOC(=O)CCCCCNc1ccc2c(c1)CCO2 34a_100000736984_100000755133 [0,1,1,0,0,0|2,0,0]=4 256 B21R2.316783 CCOC(=O)CCCCCSc1ccc2c(c1)CCO2 62a_100000729065_100000755133 [0,1,1,0,0,0|2,0,0]=4 257 B21R2.316783 CCOC(=O)CCCCCSc1ccc2c(c1)CCO2 62a_100000755133_100000729065 [0,1,1,0,0,0|2,0,0]=4 258 B21R2.316783 CCOC(=O)CCCCNCc1ccc2c(c1)CCO2 2230a_100011219410_100000750268 [0,1,1,0,0,0|2,0,0]=4 259 B21R2.316783 CCOC(=O)CCCCNCc1ccc2c(c1)CCO2 34a_100011219410_100000750268 [0,1,1,0,0,0|2,0,0]=4 260 B21R2.316783 CCOC(=O)CCCCOCc1ccc2c(c1)CCO2 34a_100011219353_100000750268 [0,1,1,0,0,0|2,0,0]=4 261 B21R2.316783 CCOC(=O)CCCCOCc1ccc2c(c1)CCO2 7a_100011219353_100000750268 [0,1,1,0,0,0|2,0,0]=4 262 B21R2.316783 CCOC(=O)CCCOCCc1ccc2c(c1)CCO2 34a_100012161074_100009991533 [0,1,1,0,0,0|2,0,0]=4 263 B21R2.316783 CCOC(=O)CCCOCCc1ccc2c(c1)CCO2 7a_100012001163_100000763274 [0,1,1,0,0,0|2,0,0]=4 264 B21R2.316783 CCOC(=O)CCCOCCc1ccc2c(c1)CCO2 7a_100012161074_100011215271 [0,1,1,0,0,0|2,0,0]=4 265 B21R2.316783 CCOC(=O)CCCSCCc1ccc2c(c1)CCO2 62a_100000763274_100009991533 [0,1,1,0,0,0|2,0,0]=4 266 B21R2.316783 CCOC(=O)CCCSCCc1ccc2c(c1)CCO2 62a_100009991533_100000763274 [0,1,1,0,0,0|2,0,0]=4 267 B21R2.316783 CCOC(=O)NCCOCCc1ccc2c(c1)CCO2 34a_100000158857_100000763274 [0,1,1,0,0,0|1,0,0]=3 268 B21R2.316783 CCOC(=O)NCCOCCc1ccc2c(c1)CCO2 7a_100012161074_200011445536 [0,1,1,0,0,0|1,0,0]=3 269 B21R2.316783 CCOC(=O)NCCSCCc1ccc2c(c1)CCO2 62a_100000763274_200011445536 [0,1,1,0,0,0|1,0,0]=3 270 B21R2.379228 CCC(=O)NCCNCC(=O)c1ccc2c(c1)CCO2 34a_100132302217_100000241338 [0,1,1,0,0,0|1,0,1]=4 271 B21R2.379228 CCC(=O)NCCOCC(=O)c1ccc2c(c1)CCO2 34a_200000158885_100000241338 [0,1,1,0,0,0|1,0,1]=4 272 B21R2.379228 CCC(=O)NCCOCC(=O)c1ccc2c(c1)CCO2 7a_200000158885_100000241338 [0,1,1,0,0,0|1,0,1]=4 273 B21R2.379390 CCC(=O)NCCNC(=O)Cc1ccc2c(c1)CCO2 11a_100132302217_100000242752 [0,1,1,0,0,0|1,0,1]=4 274 B21R2.379390 CCC(=O)NCCNC(=O)Cc1ccc2c(c1)CCO2 1626a_100132302217_100000242752 [0,1,1,0,0,0|1,0,1]=4 275 B21R2.379390 CCC(=O)NCCNC(=O)Cc1ccc2c(c1)CCO2 240690a_100132302217_100000242752 [0,1,1,0,0,0|1,0,1]=4 276 B21R2.379390 CCC(=O)NCCNC(=O)Cc1ccc2c(c1)CCO2 527a_100132302217_100000242752 [0,1,1,0,0,0|1,0,1]=4 277 B21R2.2452388 C=C(C)C(=O)NCCCNCc1ccc2c(c1)CCO2 207a_100016987756_100011218456 [0,1,1,0,0,0|1,0,1]=4 278 B21R2.2452388 C=C(C)C(=O)NCCNCCc1ccc2c(c1)CCO2 2230a_100102636416_100000763274 [0,1,1,0,0,0|1,0,1]=4 279 B21R2.2452388 CC(C)C(=O)NCCNCCc1ccc2c(c1)CCO2 2230a_100000752568_100000763274 [0,1,1,0,0,0|1,0,0]=3 280 B21R2.2452388 CC(C)C(=O)NCCNCCc1ccc2c(c1)CCO2 34a_100000752568_100000763274 [0,1,1,0,0,0|1,0,0]=3 281 B21R3.12633093 C#CCCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000688953 [1,1,0,0,0,0|0,0,2]=4 282 B21R3.12633093 C#CCCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000688953 [1,1,0,0,0,0|0,0,2]=4 283 B21R3.12633093 C/C=C/CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100102629194 [1,1,0,0,0,0|0,0,1]=3 284 B21R3.12633093 C=CCCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000754431 [1,1,0,0,0,0|0,0,2]=4 285 B21R3.12633093 C=CCCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000754431 [1,1,0,0,0,0|0,0,2]=4 286 B21R3.12633093 CC#CCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000748600 [1,1,0,0,0,0|0,0,2]=4 287 B21R3.12633093 CC#CCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000748600 [1,1,0,0,0,0|0,0,2]=4 288 B21R3.12633093 CC=CCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000070051 [1,1,0,0,0,0|0,0,1]=3 289 B21R3.12633093 CC=CCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000070051 [1,1,0,0,0,0|0,0,1]=3 290 B21R3.12633093 CCCCCCNC1CCc2c1c3c(cc2)OCC3 269862a_100000210581_100000097343 [1,1,0,0,0,0|1,0,1]=4 291 B21R3.12633093 CCCCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000210211 [1,1,0,0,0,0|0,0,1]=3 292 B21R3.12633093 CCCCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000210210 [1,1,0,0,0,0|0,0,1]=3 293 B21R3.12633093 CCCOCCNC1CCc2c1c3c(cc2)OCC3 269862a_100161115042_100000097343 [1,1,0,0,0,0|1,0,1]=4 294 B21R3.12633093 CCCSCCNC1CCc2c1c3c(cc2)OCC3 269862a_100020603323_100000097343 [1,1,0,0,0,0|1,0,1]=4 295 B21R3.12633093 CCOCCCNC1CCc2c1c3c(cc2)OCC3 269862a_100000210961_100000097343 [1,1,0,0,0,0|2,0,0]=4 296 B21R3.12633093 COCCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100011201679 [1,1,0,0,0,0|0,0,1]=3 297 B21R3.12633093 COCCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100011201679 [1,1,0,0,0,0|0,0,1]=3 298 B21R3.12633093 CSCCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000751147 [1,1,0,0,0,0|0,0,1]=3 299 B21R3.12633093 CSCCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000212216 [1,1,0,0,0,0|0,0,1]=3 300 B21R3.12633093 FCCCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100011934791 [1,1,0,0,0,0|0,0,1]=3 301 B21R3.12633093 FCCCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100011934791 [1,1,0,0,0,0|0,0,1]=3 302 B21R3.12633093 N#CCCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100011215226 [1,1,0,0,0,0|0,0,2]=4 303 B21R3.12633093 OCCCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000230001 [1,1,0,0,0,0|0,0,1]=3 304 B21R3.12633093 OCCCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000230001 [1,1,0,0,0,0|0,0,1]=3 305 B21R3.43174770 C=C(C)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000748629 [1,1,0,0,0,0|0,0,2]=4 306 B21R3.43174770 C=C(C)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000748629 [1,1,0,0,0,0|0,0,2]=4 307 B21R3.43174770 CC(C)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000210760 [1,1,0,0,0,0|0,0,1]=3 308 B21R3.43174770 CC(C)CNCCC1CCc2c1c3c(cc2)OCC3 270004a_100020662519_100000210432 [1,1,0,0,0,0|0,0,1]=3 309 B21R3.43174770 CC(C)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000210624 [1,1,0,0,0,0|0,0,1]=3 310 B21R3.43174770 CC(O)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100011218427 [1,1,0,0,0,0|0,0,1]=3 311 B21R3.43174770 CC(O)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100011218427 [1,1,0,0,0,0|0,0,1]=3 312 B21R3.43174770 C[C@@H](O)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100009817552 [1,1,0,0,0,0|0,0,1]=3 313 B21R3.43174770 C[C@@H](O)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100009817552 [1,1,0,0,0,0|0,0,1]=3 314 B21R3.43174770 FC(F)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100011934356 [1,1,0,0,0,0|1,0,1]=4 315 B21R3.43174770 FC(F)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100011934356 [1,1,0,0,0,0|1,0,1]=4 316 B21R3.107045344 CC(C)(C)NCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000210625 [1,1,0,0,0,0|1,0,1]=4 317 B21R3.107045344 CS(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 40a_100020662519_100000738038 [1,1,0,0,0,0|1,0,0]=3 318 B23R3.146354408 CCC(CC)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100011215472 [0,1,0,0,0,1|1,0,1]=4 319 B23R3.146354408 CCC(CC)CNCCC1CCc2c1c3c(cc2)OCC3 269862a_100020662519_100000211137 [0,1,0,0,0,1|1,0,1]=4 320 B23R3.146354408 CCC(CC)CNCCC1CCc2c1c3c(cc2)OCC3 270004a_100020662519_100000211137 [0,1,0,0,0,1|1,0,1]=4 321 B23R3.146354408 CCC(CC)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100011215472 [0,1,0,0,0,1|1,0,1]=4 322 B23R3.166750787 C=COC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000036128 [0,1,0,0,0,1|0,0,2]=4 323 B23R3.166750787 C=COC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000036128 [0,1,0,0,0,1|0,0,2]=4 324 B23R3.166750787 CCCC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000747444 [0,1,0,0,0,1|0,0,0]=2 325 B23R3.166750787 CCCC(C)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100011216630 [0,1,0,0,0,1|1,0,1]=4 326 B23R3.166750787 CCCC(C)CNCCC1CCc2c1c3c(cc2)OCC3 270004a_100020662519_100000243154 [0,1,0,0,0,1|1,0,1]=4 327 B23R3.166750787 CCCC(C)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100011216630 [0,1,0,0,0,1|1,0,1]=4 328 B23R3.166750787 CCNC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000183381 [0,1,0,0,0,1|0,0,0]=2 329 B23R3.166750787 CCNC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000183381 [0,1,0,0,0,1|0,0,0]=2 330 B23R3.166750787 CCOC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000188475 [0,1,0,0,0,1|0,0,0]=2 331 B23R3.166750787 CCOC(=O)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000188475 [0,1,0,0,0,1|0,0,0]=2 332 B23R3.166750787 COCC(O)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100011215053 [0,1,0,0,0,1|0,0,2]=4 333 B23R3.166750787 O=C(CNCCC1CCc2c1c3c(cc2)OCC3)NCO 2230a_100020662519_100000185155 [0,1,0,0,0,1|1,0,0]=3 334 B23R3.166750787 O=C(CNCCC1CCc2c1c3c(cc2)OCC3)NCO 34a_100020662519_100000185155 [0,1,0,0,0,1|1,0,0]=3 335 B23R3.244046157 C/C=C(\C)/C(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100020587367 [0,1,0,0,0,1|1,0,1]=4 336 B23R3.244046157 C/C=C(\C)/C(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100020587367 [0,1,0,0,0,1|1,0,1]=4 337 B23R3.244046157 C/C=C(\C)/C(C)NCCC1CCc2c1c3c(cc2)OCC3 269862a_100020662519_100020675665 [0,1,0,0,0,1|1,0,1]=4 338 B23R3.244046157 CCC(=O)C(C)NCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000742827 [0,1,0,0,0,1|0,0,0]=2 339 B23R3.244046157 CCC(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100011192722 [0,1,0,0,0,1|1,0,1]=4 340 B23R3.244046157 CCC(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100011192722 [0,1,0,0,0,1|1,0,1]=4 341 B23R3.244046157 CCC(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100011192722 [0,1,0,0,0,1|1,0,1]=4 342 B23R3.244046157 CCC(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100011192722 [0,1,0,0,0,1|1,0,1]=4 343 B23R3.244046157 CCC(C)C(C)NCCC1CCc2c1c3c(cc2)OCC3 269862a_100020662519_100000210599 [0,1,0,0,0,1|1,0,1]=4 344 B23R3.244046157 CCC(C)C(C)NCCC1CCc2c1c3c(cc2)OCC3 270004a_100020662519_100000210599 [0,1,0,0,0,1|1,0,1]=4 345 B23R3.244046157 CCC(O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100011196387 [0,1,0,0,0,1|0,0,2]=4 346 B23R3.244046157 CCN(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 2708a_100020662519_100000225621 [0,1,0,0,0,1|2,0,0]=4 347 B23R3.244046157 CCN(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100020662519_100000225621 [0,1,0,0,0,1|2,0,0]=4 348 B23R3.244046157 CNC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100011218921 [0,1,0,0,0,1|1,0,0]=3 349 B23R3.244046157 CNC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100011218921 [0,1,0,0,0,1|1,0,0]=3 350 B23R3.244046157 CNC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100011218921 [0,1,0,0,0,1|1,0,0]=3 351 B23R3.244046157 CNC(=O)C(C)NCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000731044 [0,1,0,0,0,1|1,0,0]=3 352 B23R3.244046157 CNC(=O)C(C)NCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000731044 [0,1,0,0,0,1|1,0,0]=3 353 B23R3.244046157 CNC(=O)C(F)NCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100009813575 [0,1,0,0,0,1|1,0,0]=3 354 B23R3.244046157 CNC(=O)C(F)NCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100009813575 [0,1,0,0,0,1|1,0,0]=3 355 B23R3.244046157 COC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000024059 [0,1,0,0,0,1|1,0,0]=3 356 B23R3.244046157 COC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000024059 [0,1,0,0,0,1|1,0,0]=3 357 B23R3.244046157 COC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000024059 [0,1,0,0,0,1|1,0,0]=3 358 B23R3.244046157 COC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000024059 [0,1,0,0,0,1|1,0,0]=3 359 B23R3.244046157 COC(=O)C(C)NCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000211248 [0,1,0,0,0,1|1,0,0]=3 360 B23R3.244046157 COC(=O)C(C)NCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000211248 [0,1,0,0,0,1|1,0,0]=3 361 B23R3.285189364 CC(=O)C(=O)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100011261029 [0,1,0,0,0,1|0,0,1]=3 362 B23R3.285189364 CC(C)C(=O)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000753385 [0,1,0,0,0,1|0,0,0]=2 363 B23R3.285189364 CC(C)C(=O)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000753385 [0,1,0,0,0,1|0,0,0]=2 364 B23R3.285189364 CC(C)C(=O)NCCNC1CCc2c1c3c(cc2)OCC3 269862a_100000752568_100000097343 [0,1,0,0,0,1|0,0,0]=2 365 B23R3.285189364 CN(C)C(=O)CCCNC1CCc2c1c3c(cc2)OCC3 269862a_200000744827_100000097343 [0,1,0,0,0,1|2,0,0]=4 366 B23R3.285189364 CN(C)C(=O)CNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000185267 [0,1,0,0,0,1|1,0,0]=3 367 B23R3.285189364 CN(C)C(=O)CNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000692301 [0,1,0,0,0,1|1,0,0]=3 368 B23R3.636674777 CC(C)S(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 270084a_100020662519_100000742656 [0,2,0,0,0,0|1,0,0]=3 369 B23R3.636674777 CC(C)S(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 274078a_100020662519_100000742656 [0,2,0,0,0,0|1,0,0]=3 370 B23R3.636674777 O=S(=O)(NCCC1CCc2c1c3c(cc2)OCC3)C(Cl)Cl 270084a_100020662519_100000034607 [0,2,0,0,0,0|2,0,0]=4 371 B23R3.636674777 O=S(=O)(NCCC1CCc2c1c3c(cc2)OCC3)C(F)F 270084a_100020662519_100000737280 [0,2,0,0,0,0|2,0,0]=4 372 B23R3.636674777 O=S(=O)(NCCC1CCc2c1c3c(cc2)OCC3)C(F)F 274078a_100020662519_100000737280 [0,2,0,0,0,0|2,0,0]=4 373 B23R3.658504685 C=CCS(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 270084a_100020662519_100000751117 [0,2,0,0,0,0|1,0,1]=4 374 B23R3.658504685 C=CCS(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 274078a_100020662519_100000751117 [0,2,0,0,0,0|1,0,1]=4 375 B23R3.658504685 CCCS(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 270084a_100020662519_100000211391 [0,2,0,0,0,0|1,0,0]=3 376 B23R3.658504685 CCCS(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 274078a_100020662519_100000211391 [0,2,0,0,0,0|1,0,0]=3 377 B23R3.658504685 CCCS(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 40a_100020662519_100000054278 [0,2,0,0,0,0|1,0,0]=3 378 B23R3.658504685 O=S(=O)(CCBr)NCCC1CCc2c1c3c(cc2)OCC3 270084a_100020662519_100000731045 [0,2,0,0,0,0|1,0,0]=3 379 B23R3.658504685 O=S(=O)(CCBr)NCCC1CCc2c1c3c(cc2)OCC3 274078a_100020662519_100000731045 [0,2,0,0,0,0|1,0,0]=3 380 B23R3.658504685 O=S(=O)(CCCl)NCCC1CCc2c1c3c(cc2)OCC3 270084a_100020662519_100000184613 [0,2,0,0,0,0|1,0,0]=3 381 B23R3.658504685 O=S(=O)(CCCl)NCCC1CCc2c1c3c(cc2)OCC3 274078a_100020662519_100000184613 [0,2,0,0,0,0|1,0,0]=3 382 B23R3.78126579 C#CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000692101 [0,2,0,0,0,0|0,0,0]=2 383 B23R3.78126579 C#CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000692101 [0,2,0,0,0,0|0,0,0]=2 384 B23R3.78126579 C#CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000692101 [0,2,0,0,0,0|0,0,0]=2 385 B23R3.78126579 C#CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000692101 [0,2,0,0,0,0|0,0,0]=2 386 B23R3.78126579 C#CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 2708a_100000212058_100020662519 [0,2,0,0,0,0|0,0,1]=3 387 B23R3.78126579 C#CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 2708a_100020662519_100000212058 [0,2,0,0,0,0|0,0,1]=3 388 B23R3.78126579 C#CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100000212058_100020662519 [0,2,0,0,0,0|0,0,1]=3 389 B23R3.78126579 C#CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100020662519_100000212058 [0,2,0,0,0,0|0,0,1]=3 390 B23R3.78126579 C#CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_100000212058_100020662519 [0,2,0,0,0,0|0,0,1]=3 391 B23R3.78126579 C#CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_100020662519_100000212058 [0,2,0,0,0,0|0,0,1]=3 392 B23R3.78126579 C=CC=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100016291481 [0,2,0,0,0,0|0,0,2]=4 393 B23R3.78126579 C=CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000749702 [0,2,0,0,0,0|0,0,0]=2 394 B23R3.78126579 C=CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000749702 [0,2,0,0,0,0|0,0,0]=2 395 B23R3.78126579 C=CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000749702 [0,2,0,0,0,0|0,0,0]=2 396 B23R3.78126579 C=CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000749702 [0,2,0,0,0,0|0,0,0]=2 397 B23R3.78126579 C=CCCC(C)NCCC1CCc2c1c3c(cc2)OCC3 270004a_100020662519_100000762624 [0,2,0,0,0,0|1,0,1]=4 398 B23R3.78126579 C=CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 2708a_100020662519_100020586998 [0,2,0,0,0,0|0,0,1]=3 399 B23R3.78126579 C=CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100020586998_100020662519 [0,2,0,0,0,0|0,0,1]=3 400 B23R3.78126579 C=CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100020662519_100020586998 [0,2,0,0,0,0|0,0,1]=3 401 B23R3.78126579 C=CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_100020586998_100020662519 [0,2,0,0,0,0|0,0,1]=3 402 B23R3.78126579 C=CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_100020662519_100020586998 [0,2,0,0,0,0|0,0,1]=3 403 B23R3.78126579 CC=CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100121576822 [0,2,0,0,0,0|0,0,0]=2 404 B23R3.78126579 CC=CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100121576822 [0,2,0,0,0,0|0,0,0]=2 405 B23R3.78126579 CC=CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100121576822 [0,2,0,0,0,0|0,0,0]=2 406 B23R3.78126579 CC=CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100121576822 [0,2,0,0,0,0|0,0,0]=2 407 B23R3.78126579 CCC=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000212282 [0,2,0,0,0,0|0,0,0]=2 408 B23R3.78126579 CCC=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000212282 [0,2,0,0,0,0|0,0,0]=2 409 B23R3.78126579 CCC=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000212282 [0,2,0,0,0,0|0,0,0]=2 410 B23R3.78126579 CCCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000210183 [0,2,0,0,0,0|0,0,0]=2 411 B23R3.78126579 CCCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000210183 [0,2,0,0,0,0|0,0,0]=2 412 B23R3.78126579 CCCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000210183 [0,2,0,0,0,0|0,0,0]=2 413 B23R3.78126579 CCCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000210183 [0,2,0,0,0,0|0,0,0]=2 414 B23R3.78126579 CCCCC(C)NCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_200011215066 [0,2,0,0,0,0|1,0,1]=4 415 B23R3.78126579 CCCCC(C)NCCC1CCc2c1c3c(cc2)OCC3 270004a_100020662519_100000210087 [0,2,0,0,0,0|1,0,1]=4 416 B23R3.78126579 CCCCC(C)NCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_200011215066 [0,2,0,0,0,0|1,0,1]=4 417 B23R3.78126579 CCCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 2708a_100020643023_100020662519 [0,2,0,0,0,0|0,0,0]=2 418 B23R3.78126579 CCCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 2708a_100020662519_100020643023 [0,2,0,0,0,0|0,0,0]=2 419 B23R3.78126579 CCCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100020643023_100020662519 [0,2,0,0,0,0|0,0,0]=2 420 B23R3.78126579 CCCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100020662519_100020643023 [0,2,0,0,0,0|0,0,0]=2 421 B23R3.78126579 CCCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_100020643023_100020662519 [0,2,0,0,0,0|0,0,0]=2 422 B23R3.78126579 CCCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_100020662519_100020643023 [0,2,0,0,0,0|0,0,0]=2 423 B23R3.78126579 CCNNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100020662519_100000756455 [0,2,0,0,0,0|0,0,0]=2 424 B23R3.78126579 CCNNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_100000756455_100020662519 [0,2,0,0,0,0|0,0,0]=2 425 B23R3.78126579 CCNNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_100020662519_100000756455 [0,2,0,0,0,0|0,0,0]=2 426 B23R3.78126579 CCOCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000211967 [0,2,0,0,0,0|0,0,0]=2 427 B23R3.78126579 CCOCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000211967 [0,2,0,0,0,0|0,0,0]=2 428 B23R3.78126579 CCOCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000211967 [0,2,0,0,0,0|0,0,0]=2 429 B23R3.78126579 CCOCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000211967 [0,2,0,0,0,0|0,0,0]=2 430 B23R3.78126579 CCSCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000230394 [0,2,0,0,0,0|0,0,0]=2 431 B23R3.78126579 CCSCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000230394 [0,2,0,0,0,0|0,0,0]=2 432 B23R3.78126579 CCSCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000230394 [0,2,0,0,0,0|0,0,0]=2 433 B23R3.78126579 CCSCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000230394 [0,2,0,0,0,0|0,0,0]=2 434 B23R3.78126579 CCSCC(C)NCCC1CCc2c1c3c(cc2)OCC3 270004a_100020662519_200011216171 [0,2,0,0,0,0|1,0,1]=4 435 B23R3.78126579 COC=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100016268678 [0,2,0,0,0,0|0,0,1]=3 436 B23R3.78126579 COC=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100016268678 [0,2,0,0,0,0|0,0,1]=3 437 B23R3.78126579 COCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000749529 [0,2,0,0,0,0|0,0,0]=2 438 B23R3.78126579 COCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000749529 [0,2,0,0,0,0|0,0,0]=2 439 B23R3.78126579 COCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000749529 [0,2,0,0,0,0|0,0,0]=2 440 B23R3.78126579 COCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000749529 [0,2,0,0,0,0|0,0,0]=2 441 B23R3.78126579 COCCC(C)NCCC1CCc2c1c3c(cc2)OCC3 270004a_100020662519_100000742357 [0,2,0,0,0,0|1,0,1]=4 442 B23R3.78126579 CSCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000174002 [0,2,0,0,0,0|0,0,0]=2 443 B23R3.78126579 CSCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000174002 [0,2,0,0,0,0|0,0,0]=2 444 B23R3.78126579 CSCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000174002 [0,2,0,0,0,0|0,0,0]=2 445 B23R3.78126579 CSCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000174002 [0,2,0,0,0,0|0,0,0]=2 446 B23R3.78126579 CSCCC(C)NCCC1CCc2c1c3c(cc2)OCC3 270004a_100020662519_100011217047 [0,2,0,0,0,0|1,0,1]=4 447 B23R3.78126579 N#CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100011934036 [0,2,0,0,0,0|0,0,0]=2 448 B23R3.78126579 N#CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100011934036 [0,2,0,0,0,0|0,0,0]=2 449 B23R3.78126579 N#CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100011934036 [0,2,0,0,0,0|0,0,0]=2 450 B23R3.78126579 N#CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100011934036 [0,2,0,0,0,0|0,0,0]=2 451 B23R3.78126579 N#CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 2708a_100000734998_100020662519 [0,2,0,0,0,0|0,0,1]=3 452 B23R3.78126579 N#CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100000734998_100020662519 [0,2,0,0,0,0|0,0,1]=3 453 B23R3.78126579 N#CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100020662519_100000734998 [0,2,0,0,0,0|0,0,1]=3 454 B23R3.78126579 N#CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_100000734998_100020662519 [0,2,0,0,0,0|0,0,1]=3 455 B23R3.78126579 N#CCNC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_100020662519_100000734998 [0,2,0,0,0,0|0,0,1]=3 456 B23R3.78126579 O=C(NCCF)NCCC1CCc2c1c3c(cc2)OCC3 2708a_100020662519_100000724931 [0,2,0,0,0,0|0,0,0]=2 457 B23R3.78126579 O=C(NCCF)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100000724931_100020662519 [0,2,0,0,0,0|0,0,0]=2 458 B23R3.78126579 O=C(NCCF)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100020662519_100000724931 [0,2,0,0,0,0|0,0,0]=2 459 B23R3.78126579 O=C(NCCF)NCCC1CCc2c1c3c(cc2)OCC3 512a_100020662519_100000724931 [0,2,0,0,0,0|0,0,0]=2 460 B23R3.78126579 O=C(NCCO)NCCC1CCc2c1c3c(cc2)OCC3 2708a_100020662519_100000210304 [0,2,0,0,0,0|0,0,0]=2 461 B23R3.78126579 O=C(NCCO)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100000210304_100020662519 [0,2,0,0,0,0|0,0,0]=2 462 B23R3.78126579 O=C(NCCO)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100020662519_100000210304 [0,2,0,0,0,0|0,0,0]=2 463 B23R3.78126579 O=C(NCCO)NCCC1CCc2c1c3c(cc2)OCC3 512a_100020662519_100000210304 [0,2,0,0,0,0|0,0,0]=2 464 B23R3.78126579 [N-]=[N+]=NCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000751907 [0,2,0,0,0,0|1,0,0]=3 465 B23R3.78126579 [N-]=[N+]=NCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000751907 [0,2,0,0,0,0|1,0,0]=3 466 B23R3.243227933 CCC(COC)NCCC1CCc2c1c3c(cc2)OCC3 270004a_100020662519_100000757811 [0,2,0,0,0,0|0,0,2]=4 467 B23R3.243227933 CCCC(CC)NCCC1CCc2c1c3c(cc2)OCC3 270004a_100020662519_100000687865 [0,2,0,0,0,0|1,0,1]=4 468 B23R3.640181574 CC(=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3)C 11a_100020662519_100000211388 [0,2,0,0,0,0|0,0,1]=3 469 B23R3.640181574 CC(=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3)C 1626a_100020662519_100000211388 [0,2,0,0,0,0|0,0,1]=3 470 B23R3.640181574 CC(=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3)C 240690a_100020662519_100000211388 [0,2,0,0,0,0|0,0,1]=3 471 B23R3.640181574 CC(=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3)Cl 11a_100020662519_200042562850 [0,2,0,0,0,0|0,0,1]=3 472 B23R3.640181574 CC(=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3)Cl 1626a_100020662519_200042562850 [0,2,0,0,0,0|0,0,1]=3 473 B23R3.640181574 CC(=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3)Cl 240690a_100020662519_200042562850 [0,2,0,0,0,0|0,0,1]=3 474 B23R3.640181574 CC(=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3)I 11a_100020662519_100025716642 [0,2,0,0,0,0|0,0,1]=3 475 B23R3.640181574 CC(=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3)I 1626a_100020662519_100025716642 [0,2,0,0,0,0|0,0,1]=3 476 B23R3.640181574 CC(C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000210554 [0,2,0,0,0,0|0,0,0]=2 477 B23R3.640181574 CC(C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000210554 [0,2,0,0,0,0|0,0,0]=2 478 B23R3.640181574 CC(C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000210554 [0,2,0,0,0,0|0,0,0]=2 479 B23R3.640181574 CC(C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000210554 [0,2,0,0,0,0|0,0,0]=2 480 B23R3.640181574 CC(C)CC(C)NCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000731052 [0,2,0,0,0,0|1,0,1]=4 481 B23R3.640181574 CC(C)CC(C)NCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000731052 [0,2,0,0,0,0|1,0,1]=4 482 B23R3.640181574 CC(C)NC(=O)NCCC1CCc2c1c3c(cc2)OCC3 2708a_100020662519_100138425928 [0,2,0,0,0,0|0,0,0]=2 483 B23R3.640181574 CC(C)NC(=O)NCCC1CCc2c1c3c(cc2)OCC3 2708a_100138425928_100020662519 [0,2,0,0,0,0|0,0,0]=2 484 B23R3.640181574 CC(C)NC(=O)NCCC1CCc2c1c3c(cc2)OCC3 273464a_100138425928_100020662519 [0,2,0,0,0,0|0,0,0]=2 485 B23R3.640181574 CC(C)NC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_100020662519_100138425928 [0,2,0,0,0,0|0,0,0]=2 486 B23R3.640181574 CC(C)NC(=O)NCCC1CCc2c1c3c(cc2)OCC3 512a_100138425928_100020662519 [0,2,0,0,0,0|0,0,0]=2 487 B23R3.640181574 CN(C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000750896 [0,2,0,0,0,0|0,0,0]=2 488 B23R3.640181574 CN(C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000750896 [0,2,0,0,0,0|0,0,0]=2 489 B23R3.640181574 CN(C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000750896 [0,2,0,0,0,0|0,0,0]=2 490 B23R3.640181574 C[C@@H](O)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100011933948 [0,2,0,0,0,0|0,0,0]=2 491 B23R3.640181574 C[S+](C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_200159257847 [0,2,0,0,0,0|0,0,0]=2 492 B23R3.640181574 C[S+](C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_200159257847 [0,2,0,0,0,0|0,0,0]=2 493 B23R3.640181574 C[S+](C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_200159257847 [0,2,0,0,0,0|0,0,0]=2 494 B23R3.640181574 C[S+](C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_200159257847 [0,2,0,0,0,0|0,0,0]=2 495 B23R3.640181574 NC(=O)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100134613110 [0,2,0,0,0,0|0,0,1]=3 496 B23R3.640181574 NC(=O)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100134613110 [0,2,0,0,0,0|0,0,1]=3 497 B23R3.640181574 O=C(C=C(Cl)Cl)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000137448 [0,2,0,0,0,0|0,0,2]=4 498 B23R3.640181574 O=C(C=C(Cl)Cl)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000137448 [0,2,0,0,0,0|0,0,2]=4 499 B23R3.916308955 CCC(NCCC1CCc2c1c3c(cc2)OCC3)C(=O)N 2230a_100020662519_100000750255 [0,2,0,0,0,0|0,0,1]=3 500 B23R3.916308955 CCC(NCCC1CCc2c1c3c(cc2)OCC3)C(=O)N 34a_100020662519_100000750255 [0,2,0,0,0,0|0,0,1]=3 501 B23R3.916308955 CCC(NCCC1CCc2c1c3c(cc2)OCC3)C(C)C 270004a_100020662519_100000210600 [0,2,0,0,0,0|1,0,1]=4 502 B23R3.640431479 CC(C)(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_106744555173 [0,2,0,0,0,0|0,0,0]=2 503 B23R3.640431479 CC(C)(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_106744555173 [0,2,0,0,0,0|0,0,0]=2 504 B23R3.640431479 CC(C)(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_106744555173 [0,2,0,0,0,0|0,0,0]=2 505 B23R3.640431479 CC(C)(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_106744555173 [0,2,0,0,0,0|0,0,0]=2 506 B23R3.640431479 CC(C)(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000765255 [0,2,0,0,0,0|0,0,0]=2 507 B23R3.640431479 CC(C)(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000765255 [0,2,0,0,0,0|0,0,0]=2 508 B23R3.640431479 CC(C)(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000765255 [0,2,0,0,0,0|0,0,0]=2 509 B23R3.640431479 CC(C)(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000765255 [0,2,0,0,0,0|0,0,0]=2 510 B23R3.640431479 CC(C)(O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000242741 [0,2,0,0,0,0|0,0,0]=2 511 B23R3.640431479 CC(F)(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_100000042251 [0,2,0,0,0,0|0,0,0]=2 512 B23R3.640431479 CC(F)(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_100000042251 [0,2,0,0,0,0|0,0,0]=2 513 B23R3.640431479 CC(F)(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_100000042251 [0,2,0,0,0,0|0,0,0]=2 514 B23R3.640431479 CC(F)(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_100000042251 [0,2,0,0,0,0|0,0,0]=2 515 B23R3.640431479 CC(NCCC1CCc2c1c3c(cc2)OCC3)C(C)(C)O 269862a_100020662519_100000747739 [0,2,0,0,0,0|1,0,1]=4 516 B23R3.640431479 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(F)(F)F 11a_100020662519_100015355933 [0,2,0,0,0,0|1,0,0]=3 517 B23R3.640431479 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(F)(F)F 1626a_100020662519_100015355933 [0,2,0,0,0,0|1,0,0]=3 518 B23R3.640431479 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(F)(F)F 240690a_100020662519_100015355933 [0,2,0,0,0,0|1,0,0]=3 519 B23R3.640431479 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(F)(F)F 527a_100020662519_100000210220 [0,2,0,0,0,0|1,0,0]=3 520 B23R3.640431479 [2H]C([2H])([2H])C(=O)NCCC1CCc2c1c3c(cc2)OCC3 11a_100020662519_200015216371 [0,2,0,0,0,0|1,0,0]=3 521 B23R3.640431479 [2H]C([2H])([2H])C(=O)NCCC1CCc2c1c3c(cc2)OCC3 1626a_100020662519_200015216371 [0,2,0,0,0,0|1,0,0]=3 522 B23R3.640431479 [2H]C([2H])([2H])C(=O)NCCC1CCc2c1c3c(cc2)OCC3 240690a_100020662519_200015216371 [0,2,0,0,0,0|1,0,0]=3 523 B23R3.640431479 [2H]C([2H])([2H])C(=O)NCCC1CCc2c1c3c(cc2)OCC3 527a_100020662519_200015216371 [0,2,0,0,0,0|1,0,0]=3 524 B19R1.5368 CCC(=O)NCCOCCc1ccc(c(c1)OC)O 7a_200000158885_100010741665 [0,0,2,0,0,0|2,0,0]=4 525 B21R3.30789 O=C1CCC(CC1)OCCc2ccc3c(c2)CCO3 34a_100000764474_100000763274 [0,0,1,1,0,0|2,0,0]=4 526 B21R3.30789 O=C1CCC(CC1)OCCc2ccc3c(c2)CCO3 7a_100000764474_100000763274 [0,0,1,1,0,0|2,0,0]=4 527 B21R3.30789 O=C1CCC(CN1)NCCc2ccc3c(c2)CCO3 2230a_100000748762_100000763274 [0,0,1,1,0,0|1,0,0]=3 528 B21R3.30789 O=C1CCC(CN1)NCCc2ccc3c(c2)CCO3 34a_100000748762_100000763274 [0,0,1,1,0,0|1,0,0]=3 529 B21R3.30789 O=C1CCC(CN1)OCCc2ccc3c(c2)CCO3 34a_100000079199_100000763274 [0,0,1,1,0,0|1,0,0]=3 530 B21R3.30789 O=C1NCC(CN1)OCCc2ccc3c(c2)CCO3 34a_100000080929_100000763274 [0,0,1,1,0,0|2,0,0]=4 531 B21R3.142135 O=C1CCC(N1)COCCc2ccc3c(c2)CCO3 34a_100000737831_100000763274 [0,0,1,1,0,0|1,0,0]=3 532 B21R3.142135 O=C1CC[C@@H](N1)CNCCc2ccc3c(c2)CCO3 2230a_100015423886_100000763274 [0,0,1,1,0,0|1,0,0]=3 533 B21R3.142135 O=C1CC[C@@H](N1)CNCCc2ccc3c(c2)CCO3 34a_100015423886_100000763274 [0,0,1,1,0,0|1,0,0]=3 534 B21R3.142135 O=C1CC[C@H](N1)CNCCc2ccc3c(c2)OCO3 2230a_100000204656_100015189358 [0,0,1,1,0,0|2,0,0]=4 535 B21R3.142135 O=C1CC[C@H](N1)COCCc2ccc3c(c2)CCO3 7a_100012161074_100015189358 [0,0,1,1,0,0|1,0,0]=3 536 B21R3.142135 O=C1CC[C@H](N1)CSCCc2ccc3c(c2)CCO3 62a_100000763274_100015189358 [0,0,1,1,0,0|1,0,0]=3 537 B21R3.142135 O=C1CC[C@H](N1)CSCCc2ccc3c(c2)CCO3 62a_100015189358_100000763274 [0,0,1,1,0,0|1,0,0]=3 538 B21R3.142135 O=C1N[C@H](CO1)COCCc2ccc3c(c2)CCO3 34a_100012161074_100015307671 [0,0,1,1,0,0|2,0,0]=4 539 B21R3.142135 O=C1N[C@H](CO1)COCCc2ccc3c(c2)CCO3 7a_100012161074_100015307671 [0,0,1,1,0,0|2,0,0]=4 540 B21R3.142135 O=C1N[C@H](CO1)CSCCc2ccc3c(c2)CCO3 62a_100000763274_100015307671 [0,0,1,1,0,0|2,0,0]=4 541 B21R3.142135 O=C1N[C@H](CO1)CSCCc2ccc3c(c2)CCO3 62a_100015307671_100000763274 [0,0,1,1,0,0|2,0,0]=4 542 B21R3.152175 CC1C(=O)NCCN1CCc2ccc3c(c2)CCO3 2230a_100000750721_100000763274 [0,0,1,1,0,0|1,0,0]=3 543 B21R3.152175 CC1C(=O)NCCN1CCc2ccc3c(c2)CCO3 269982a_100000750721_100000763274 [0,0,1,1,0,0|1,0,0]=3 544 B21R3.152175 CC1C(=O)NCCN1CCc2ccc3c(c2)CCO3 34a_100000750721_100000763274 [0,0,1,1,0,0|1,0,0]=3 545 B21R3.473364 O=C1CCC1CCOCCc2ccc3c(c2)CCO3 7a_100012161074_200016118888 [0,0,1,1,0,0|2,0,0]=4 546 B21R3.473364 O=C1CCC1CCSCCc2ccc3c(c2)CCO3 62a_100000763274_200016118888 [0,0,1,1,0,0|2,0,0]=4 547 B21R3.473364 O=C1CCC1CCSCCc2ccc3c(c2)CCO3 62a_200016118888_100000763274 [0,0,1,1,0,0|2,0,0]=4 548 B21R3.4485843 O=C1CCN(CCN1)CCc2ccc3c(c2)CCO3 2230a_100000698595_100000763274 [0,0,1,1,0,0|1,0,0]=3 549 B21R3.4485843 O=C1CCN(CCN1)CCc2ccc3c(c2)CCO3 269982a_100000698595_100000763274 [0,0,1,1,0,0|1,0,0]=3 550 B21R4.14970130 c1cc2c(c3c1CCC3CCNC4CC4)CCO2 34a_100020662519_100000211595 [1,0,0,1,0,0|0,0,1]=3 551 B23R4.89223 O=C1CCC(CN1)NC2CCc3c2c4c(cc3)OCC4 269862a_100000748762_100000097343 [0,0,0,1,0,1|0,0,0]=2 552 B23R4.206382 O=C1CCC1NCCC2CCc3c2c4c(cc3)OCC4 34a_100020662519_100009892977 [0,0,0,1,0,1|0,0,0]=2 553 B23R4.1776253 O=C1CC(CN1)CNC2CCc3c2c4c(cc3)OCC4 269862a_100016993742_100000097343 [0,0,0,1,0,1|2,0,0]=4 554 B23R4.1776253 O=C1CC[C@@H](N1)CNC2CCc3c2c4c(cc3)OCC4 269862a_100015423886_100000097343 [0,0,0,1,0,1|0,0,0]=2 555 B23R4.1868364 c1cc2c(c3c1CCC3CCNCC4CCC4)CCO2 2230a_100020662519_100000763275 [0,0,0,1,0,1|1,0,1]=4 556 B23R4.1868364 c1cc2c(c3c1CCC3CCNCC4CCC4)CCO2 269862a_100020662519_100000753134 [0,0,0,1,0,1|1,0,1]=4 557 B23R4.1868364 c1cc2c(c3c1CCC3CCNCC4CCC4)CCO2 34a_100020662519_100000763275 [0,0,0,1,0,1|1,0,1]=4 558 B23R4.1868364 c1cc2c(c3c1CCC3CCNCC4CCO4)CCO2 2230a_100020662519_100000103362 [0,0,0,1,0,1|0,0,2]=4 559 B23R4.1868364 c1cc2c(c3c1CCC3CCNCC4CCO4)CCO2 34a_100020662519_100000103362 [0,0,0,1,0,1|0,0,2]=4 560 B23R4.5990071 N#CC1(CC1)NCCC2CCc3c2c4c(cc3)OCC4 34a_100020662519_100009889376 [0,1,0,1,0,0|1,0,1]=4 561 B23R4.199624 O=C1CC(CCN1)NC2CCc3c2c4c(cc3)OCC4 269862a_100016994916_100000097343 [0,1,0,1,0,0|2,0,0]=4 562 B23R4.1869959 c1cc2c(c3c1CCC3CCNC4CCCC4)CCO2 2230a_100020662519_100000179811 [0,1,0,1,0,0|1,0,1]=4 563 B23R4.1869959 c1cc2c(c3c1CCC3CCNC4CCCC4)CCO2 270004a_100020662519_100000210133 [0,1,0,1,0,0|1,0,1]=4 564 B23R4.1869959 c1cc2c(c3c1CCC3CCNC4CCCC4)CCO2 34a_100020662519_100000179811 [0,1,0,1,0,0|1,0,1]=4 565 B23R4.1869959 c1cc2c(c3c1CCC3CCNC4CCOC4)CCO2 2230a_100020662519_100000731011 [0,1,0,1,0,0|0,0,2]=4 566 B23R4.1869959 c1cc2c(c3c1CCC3CCNC4CCOC4)CCO2 270004a_100020662519_100000752484 [0,1,0,1,0,0|0,0,2]=4 567 B23R4.1869959 c1cc2c(c3c1CCC3CCNC4CCOC4)CCO2 34a_100020662519_100000690089 [0,1,0,1,0,0|0,0,2]=4 568 B23R4.1869959 c1cc2c(c3c1CCC3CCNC4CCSC4)CCO2 270004a_100020662519_100000212027 [0,1,0,1,0,0|0,1,1]=4 569 B23R4.554472867 CC(NCCC1CCc2c1c3c(cc2)OCC3)C4CC4 269862a_100020662519_100000210639 [0,1,0,1,0,0|1,0,1]=4 570 B23R4.554472867 CC(NCCC1CCc2c1c3c(cc2)OCC3)C4CO4 270004a_100020662519_100000031964 [0,1,0,1,0,0|1,0,1]=4 571 B23R4.554472867 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C4CC4 11a_100020662519_100000210395 [0,1,0,1,0,0|0,0,0]=2 572 B23R4.554472867 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C4CC4 1626a_100020662519_100000210395 [0,1,0,1,0,0|0,0,0]=2 573 B23R4.554472867 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C4CC4 240690a_100020662519_100000210395 [0,1,0,1,0,0|0,0,0]=2 574 B23R4.554472867 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C4CC4 527a_100020662519_100000210395 [0,1,0,1,0,0|0,0,0]=2 575 B23R4.554472867 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C4CO4 11a_100020662519_100000701028 [0,1,0,1,0,0|0,0,0]=2 576 B23R4.554472867 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C4CO4 1626a_100020662519_100000701028 [0,1,0,1,0,0|0,0,0]=2 577 B23R4.554472867 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C4CO4 240690a_100020662519_100000701028 [0,1,0,1,0,0|0,0,0]=2 578 B23R4.554472867 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C4CO4 527a_100020662519_100000701028 [0,1,0,1,0,0|0,0,0]=2 579 B19R2.155010 CCC(=O)NCCNCc1ccc2c(c1)CCC2 207a_100132302217_100000765347 [0,0,1,0,1,0|2,0,0]=4 580 B19R2.155010 CCC(=O)NCCNCc1ccc2c(c1)CCC2 270004a_100132302217_100000765347 [0,0,1,0,1,0|2,0,0]=4 581 B19R2.155010 CCC(=O)NCCNCc1ccc2c(c1)CCO2 207a_100132302217_100011218456 [0,0,1,0,1,0|1,0,0]=3 582 B19R2.155010 CCC(=O)NCCNCc1ccc2c(c1)CCO2 270004a_100132302217_100011218456 [0,0,1,0,1,0|1,0,0]=3 583 B19R2.155010 CCC(=O)NCCNCc1ccc2c(c1)OCO2 34a_100132302217_100000189651 [0,0,1,0,1,0|2,0,0]=4 584 B19R2.155010 CCC(=O)NCCOCc1ccc2c(c1)OCO2 34a_200000158885_100000189651 [0,0,1,0,1,0|2,0,0]=4 585 B19R2.155010 CCC(=O)NCCOCc1ccc2c(c1)OCO2 7a_200000158885_100000189651 [0,0,1,0,1,0|2,0,0]=4 586 B19R2.155010 CNC(=O)CCCNCc1ccc2c(c1)CCO2 207a_100000740002_100011218456 [0,0,1,0,1,0|2,0,0]=4 587 B19R2.155010 CNC(=O)CCCNCc1ccc2c(c1)CCO2 2230a_100011219410_100000741757 [0,0,1,0,1,0|2,0,0]=4 588 B19R2.155010 CNC(=O)CCCNCc1ccc2c(c1)CCO2 270004a_100000740002_100011218456 [0,0,1,0,1,0|2,0,0]=4 589 B19R2.155010 CNC(=O)CCCNCc1ccc2c(c1)CCO2 34a_100011219410_100000741757 [0,0,1,0,1,0|2,0,0]=4 590 B19R2.155010 CNC(=O)CCCOCc1ccc2c(c1)CCO2 34a_100011219353_100000741757 [0,0,1,0,1,0|2,0,0]=4 591 B19R2.155010 CNC(=O)CCCOCc1ccc2c(c1)CCO2 7a_100011219353_100000741757 [0,0,1,0,1,0|2,0,0]=4 592 B19R2.155010 CNC(=O)CCNCCc1ccc2c(c1)CCO2 2230a_100000738227_100000763274 [0,0,1,0,1,0|2,0,0]=4 593 B19R2.155010 CNC(=O)CCNCCc1ccc2c(c1)CCO2 34a_100000738227_100000763274 [0,0,1,0,1,0|2,0,0]=4 594 B19R2.155010 CNC(=O)CCOCCc1ccc2c(c1)CCO2 34a_100000754576_100000763274 [0,0,1,0,1,0|2,0,0]=4 595 B19R2.155010 CNC(=O)CCOCCc1ccc2c(c1)CCO2 34a_100012161074_100012179268 [0,0,1,0,1,0|2,0,0]=4 596 B19R2.155010 CNC(=O)CCOCCc1ccc2c(c1)CCO2 7a_100012161074_100000737683 [0,0,1,0,1,0|2,0,0]=4 597 B19R2.155010 CNC(=O)CCSCCc1ccc2c(c1)CCO2 62a_100000737683_100000763274 [0,0,1,0,1,0|2,0,0]=4 598 B19R2.155010 CNC(=O)CCSCCc1ccc2c(c1)CCO2 62a_100000763274_100000737683 [0,0,1,0,1,0|2,0,0]=4 599 B19R2.155010 CNC(=O)NCCNCc1ccc2c(c1)CCO2 207a_100015205895_100011218456 [0,0,1,0,1,0|2,0,0]=4 600 B19R2.155010 COC(=O)CCCCNc1ccc2c(c1)CCO2 2230a_100000736984_100000204269 [0,0,1,0,1,0|2,0,0]=4 601 B19R2.155010 COC(=O)CCCCNc1ccc2c(c1)CCO2 34a_100000736984_100000204269 [0,0,1,0,1,0|2,0,0]=4 602 B19R2.155010 COC(=O)CCCCSc1ccc2c(c1)CCO2 62a_100000204269_100000729065 [0,0,1,0,1,0|2,0,0]=4 603 B19R2.155010 COC(=O)CCCCSc1ccc2c(c1)CCO2 62a_100000729065_100000204269 [0,0,1,0,1,0|2,0,0]=4 604 B19R2.155010 COC(=O)CCCNCc1ccc2c(c1)CCO2 2230a_100011219410_100011218270 [0,0,1,0,1,0|2,0,0]=4 605 B19R2.155010 COC(=O)CCCNCc1ccc2c(c1)CCO2 34a_100011219410_100000742333 [0,0,1,0,1,0|2,0,0]=4 606 B19R2.155010 COC(=O)CCCOCc1ccc2c(c1)CCO2 34a_100011219353_100000742333 [0,0,1,0,1,0|2,0,0]=4 607 B19R2.155010 COC(=O)CCCOCc1ccc2c(c1)CCO2 7a_100011219353_100011218270 [0,0,1,0,1,0|2,0,0]=4 608 B19R2.155010 COC(=O)CCOCCc1ccc2c(c1)CCO2 34a_100012161074_100000742370 [0,0,1,0,1,0|2,0,0]=4 609 B19R2.155010 COC(=O)CCOCCc1ccc2c(c1)CCO2 7a_100012161074_100000204255 [0,0,1,0,1,0|2,0,0]=4 610 B19R2.155010 COC(=O)CCSCCc1ccc2c(c1)CCO2 62a_100000204255_100000763274 [0,0,1,0,1,0|2,0,0]=4 611 B19R2.155010 COC(=O)CCSCCc1ccc2c(c1)CCO2 62a_100000763274_100000204255 [0,0,1,0,1,0|2,0,0]=4 612 B19R3.6888155 CC(=O)NN=C1CCc2c1c3c(cc2)OCC3 4a_100000189765_100000097343 [1,0,0,0,1,0|1,0,1]=4 613 B19R3.4754470 CCC(C)NC1CCc2c1c3c(cc2)OCC3 269862a_100000209981_100000097343 [0,0,0,0,2,0|1,0,1]=4 614 B21R2.369522 COC(=O)CCCCCCNc1ccc2c(c1)CCO2 2230a_100000736984_100009815986 [0,0,1,0,0,1|2,0,0]=4 615 B21R2.369522 COC(=O)CCCCCCNc1ccc2c(c1)CCO2 34a_100000736984_100009815986 [0,0,1,0,0,1|2,0,0]=4 616 B21R2.369522 COC(=O)CCCCCCSc1ccc2c(c1)CCO2 62a_100000729065_100009815986 [0,0,1,0,0,1|2,0,0]=4 617 B21R2.369522 COC(=O)CCCCCCSc1ccc2c(c1)CCO2 62a_100009815986_100000729065 [0,0,1,0,0,1|2,0,0]=4 618 B21R2.369522 COC(=O)CCCCCNCc1ccc2c(c1)CCO2 2230a_100011219410_100009816466 [0,0,1,0,0,1|2,0,0]=4 619 B21R2.369522 COC(=O)CCCCCNCc1ccc2c(c1)CCO2 34a_100011219410_100009816466 [0,0,1,0,0,1|2,0,0]=4 620 B21R2.369522 COC(=O)CCCCCOCc1ccc2c(c1)CCO2 34a_100011219353_100009816466 [0,0,1,0,0,1|2,0,0]=4 621 B21R2.369522 COC(=O)CCCCCOCc1ccc2c(c1)CCO2 7a_100011219353_100009816466 [0,0,1,0,0,1|2,0,0]=4 622 B21R2.369522 COC(=O)CCCCOCCc1ccc2c(c1)CCO2 34a_100000059025_100000763274 [0,0,1,0,0,1|2,0,0]=4 623 B21R2.369522 COC(=O)CCCCOCCc1ccc2c(c1)CCO2 34a_100012161074_100000204269 [0,0,1,0,0,1|2,0,0]=4 624 B21R2.369522 COC(=O)CCCCOCCc1ccc2c(c1)CCO2 7a_100000059025_100000763274 [0,0,1,0,0,1|2,0,0]=4 625 B21R2.369522 COC(=O)CCCCOCCc1ccc2c(c1)CCO2 7a_100012161074_100000204269 [0,0,1,0,0,1|2,0,0]=4 626 B21R2.369522 COC(=O)CCCCSCCc1ccc2c(c1)CCO2 62a_100000204269_100000763274 [0,0,1,0,0,1|2,0,0]=4 627 B21R2.369522 COC(=O)CCCCSCCc1ccc2c(c1)CCO2 62a_100000763274_100000204269 [0,0,1,0,0,1|2,0,0]=4 628 B23R3.188429622 CNC(=O)CCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000737683 [0,0,0,0,0,2|1,0,0]=3 629 B23R3.188429622 CNC(=O)CCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100012179268 [0,0,0,0,0,2|1,0,0]=3 630 B23R3.188429622 COC(=O)CCNCCC1CCc2c1c3c(cc2)OCC3 2230a_100020662519_100000204255 [0,0,0,0,0,2|1,0,0]=3 631 B23R3.188429622 COC(=O)CCNCCC1CCc2c1c3c(cc2)OCC3 34a_100020662519_100000742370 [0,0,0,0,0,2|1,0,0]=3