0 B22R3.12627361 C#CCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000688953 [0,0,0,0,0,0|3,0,1]=4 1 B22R3.12627361 C#CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000688953 [0,0,0,0,0,0|3,0,1]=4 2 B22R3.12627361 C#CCCSC1c2ccccc2CCc3c1cccc3 62a_100000688953_100000031795 [0,0,0,0,0,0|3,0,1]=4 3 B22R3.12627361 C/C=C/COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100102629194 [0,0,0,0,0,0|3,0,1]=4 4 B22R3.12627361 C/C=C/COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100102629194 [0,0,0,0,0,0|3,0,1]=4 5 B22R3.12627361 C/C=C/CSC1c2ccccc2CCc3c1cccc3 62a_100102629194_100000031795 [0,0,0,0,0,0|3,0,1]=4 6 B22R3.12627361 C=CCCNC1c2ccccc2CCc3c1cccc3 2230a_100015191253_100000031795 [0,0,0,0,0,0|3,0,1]=4 7 B22R3.12627361 C=CCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000754431 [0,0,0,0,0,0|3,0,1]=4 8 B22R3.12627361 C=CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000754431 [0,0,0,0,0,0|3,0,1]=4 9 B22R3.12627361 C=CCCSC1c2ccccc2CCc3c1cccc3 62a_100000754431_100000031795 [0,0,0,0,0,0|3,0,1]=4 10 B22R3.12627361 CC#CCNC1c2ccccc2CCc3c1cccc3 2230a_100000685387_100000031795 [0,0,0,0,0,0|3,0,1]=4 11 B22R3.12627361 CC#CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000748600 [0,0,0,0,0,0|3,0,1]=4 12 B22R3.12627361 CC#CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000748600 [0,0,0,0,0,0|3,0,1]=4 13 B22R3.12627361 CC#CCSC1c2ccccc2CCc3c1cccc3 62a_100000748600_100000031795 [0,0,0,0,0,0|3,0,1]=4 14 B22R3.12627361 CC=CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000070051 [0,0,0,0,0,0|3,0,1]=4 15 B22R3.12627361 CC=CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000070051 [0,0,0,0,0,0|3,0,1]=4 16 B22R3.12627361 CC=CCSC1c2ccccc2CCc3c1cccc3 62a_100000070051_100000031795 [0,0,0,0,0,0|3,0,1]=4 17 B22R3.12627361 CCCCNC1c2ccccc2CCc3c1cccc3 2230a_100000102301_100000031795 [0,0,0,0,0,0|3,0,0]=3 18 B22R3.12627361 CCCCNC1c2ccccc2CCc3c1cccc3 7a_106832991798_100000031795 [0,0,0,0,0,0|3,0,0]=3 19 B22R3.12627361 CCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210210 [0,0,0,0,0,0|3,0,0]=3 20 B22R3.12627361 CCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210211 [0,0,0,0,0,0|3,0,0]=3 21 B22R3.12627361 CCCCOC1c2ccccc2CCc3c1cccc3 7a_100000210227_100000031795 [0,0,0,0,0,0|3,0,0]=3 22 B22R3.12627361 CCCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000210211 [0,0,0,0,0,0|4,0,0]=4 23 B22R3.12627361 CCCCSC1c2ccccc2CCc3c1cccc3 62a_100000210211_100000031795 [0,0,0,0,0,0|3,0,0]=3 24 B22R3.12627361 CCCNN=C1c2ccccc2CCc3c1cccc3 4a_100000740057_100000061076 [0,0,0,0,0,0|4,0,0]=4 25 B22R3.12627361 CCOCSC1c2ccccc2CCc3c1cccc3 62a_100000739092_100000031795 [0,0,0,0,0,0|4,0,0]=4 26 B22R3.12627361 COCCNC1c2ccccc2CCc3c1cccc3 2230a_100000209980_100000031795 [0,0,0,0,0,0|3,0,0]=3 27 B22R3.12627361 COCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011201679 [0,0,0,0,0,0|3,0,0]=3 28 B22R3.12627361 COCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000233755 [0,0,0,0,0,0|3,0,0]=3 29 B22R3.12627361 COCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000233755 [0,0,0,0,0,0|4,0,0]=4 30 B22R3.12627361 COCCSC1c2ccccc2CCc3c1cccc3 62a_100000233755_100000031795 [0,0,0,0,0,0|3,0,0]=3 31 B22R3.12627361 CSCCNC1c2ccccc2CCc3c1cccc3 2230a_100020590264_100000031795 [0,0,0,0,0,0|3,0,0]=3 32 B22R3.12627361 CSCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000212216 [0,0,0,0,0,0|3,0,0]=3 33 B22R3.12627361 CSCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000212216 [0,0,0,0,0,0|3,0,0]=3 34 B22R3.12627361 CSCCOC1c2ccccc2CCc3c1cccc3 7a_100000230434_100000031795 [0,0,0,0,0,0|3,0,0]=3 35 B22R3.12627361 CSCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000212216 [0,0,0,0,0,0|4,0,0]=4 36 B22R3.12627361 CSCCSC1c2ccccc2CCc3c1cccc3 62a_100000212216_100000031795 [0,0,0,0,0,0|3,0,0]=3 37 B22R3.12627361 FCCCNC1c2ccccc2CCc3c1cccc3 2230a_100015189416_100000031795 [0,0,0,0,0,0|4,0,0]=4 38 B22R3.12627361 FCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011934791 [0,0,0,0,0,0|4,0,0]=4 39 B22R3.12627361 FCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011934791 [0,0,0,0,0,0|4,0,0]=4 40 B22R3.12627361 FCCCSC1c2ccccc2CCc3c1cccc3 62a_100011934791_100000031795 [0,0,0,0,0,0|4,0,0]=4 41 B22R3.12627361 N#CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000184422 [0,0,0,0,0,0|4,0,0]=4 42 B22R3.12627361 N#CCCSC1c2ccccc2CCc3c1cccc3 62a_100011215226_100000031795 [0,0,0,0,0,0|4,0,0]=4 43 B22R3.12627361 OCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000230001 [0,0,0,0,0,0|4,0,0]=4 44 B22R3.12627361 OCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011215043 [0,0,0,0,0,0|4,0,0]=4 45 B22R3.12627361 OCCCSC1c2ccccc2CCc3c1cccc3 62a_100011215043_100000031795 [0,0,0,0,0,0|4,0,0]=4 46 B21R3.590114 CCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210303 [1,0,0,0,0,0|2,0,0]=3 47 B21R3.590114 CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210303 [1,0,0,0,0,0|2,0,0]=3 48 B21R3.590114 CCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000210303 [1,0,0,0,0,0|3,0,0]=4 49 B21R3.590114 CCCSC1c2ccccc2CCc3c1cccc3 62a_100000210303_100000031795 [1,0,0,0,0,0|2,0,0]=3 50 B21R3.590114 CCNN=C1c2ccccc2CCc3c1cccc3 4a_100000756455_100000061076 [1,0,0,0,0,0|3,0,0]=4 51 B21R3.590114 COCSC1c2ccccc2CCc3c1cccc3 62a_100000766300_100000031795 [1,0,0,0,0,0|3,0,0]=4 52 B21R3.590114 CSCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011218213 [1,0,0,0,0,0|3,0,0]=4 53 B21R3.590114 CSCSC1c2ccccc2CCc3c1cccc3 62a_100011218213_100000031795 [1,0,0,0,0,0|3,0,0]=4 54 B21R3.590114 FCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011217306 [1,0,0,0,0,0|3,0,0]=4 55 B21R3.590114 FCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011217306 [1,0,0,0,0,0|3,0,0]=4 56 B21R3.590114 FCCSC1c2ccccc2CCc3c1cccc3 62a_100011217306_100000031795 [1,0,0,0,0,0|3,0,0]=4 57 B21R3.590114 OCCNC1c2ccccc2CCc3c1cccc3 2230a_100016997473_100000031795 [1,0,0,0,0,0|3,0,0]=4 58 B21R3.590114 OCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000211926 [1,0,0,0,0,0|3,0,0]=4 59 B21R3.590114 OCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000211926 [1,0,0,0,0,0|3,0,0]=4 60 B21R3.590114 OCCSC1c2ccccc2CCc3c1cccc3 62a_100000211926_100000031795 [1,0,0,0,0,0|3,0,0]=4 61 B23R3.21774393 CCCC(C)NC1c2ccccc2CCc3c1cccc3 2230a_100000741246_100000031795 [0,1,0,0,0,0|3,0,0]=4 62 B23R3.21774393 CCCC(C)OC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000766640 [0,1,0,0,0,0|3,0,0]=4 63 B23R3.21774393 CCCC(C)OC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000766640 [0,1,0,0,0,0|3,0,0]=4 64 B23R3.21774393 CCCC(C)OC1c2ccccc2CCc3c1cccc3 7a_100000764384_100000031795 [0,1,0,0,0,0|3,0,0]=4 65 B23R3.21774393 CCCC(C)SC1c2ccccc2CCc3c1cccc3 62a_100000766640_100000031795 [0,1,0,0,0,0|3,0,0]=4 66 B23R3.21774393 COCC(C)OC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000765312 [0,1,0,0,0,0|3,0,0]=4 67 B23R3.21774393 COCC(C)OC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000765312 [0,1,0,0,0,0|3,0,0]=4 68 B23R3.21774393 COCC(C)SC1c2ccccc2CCc3c1cccc3 62a_100000765312_100000031795 [0,1,0,0,0,0|3,0,0]=4 69 B23R3.21774393 COC[C@@H](C)NC1c2ccccc2CCc3c1cccc3 2230a_100000764878_100000031795 [0,1,0,0,0,0|3,0,0]=4 70 B23R3.24909647 CCC(C)CNC1c2ccccc2CCc3c1cccc3 2230a_100020588543_100000031795 [0,1,0,0,0,0|3,0,0]=4 71 B23R3.24909647 CCC(C)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000748023 [0,1,0,0,0,0|3,0,0]=4 72 B23R3.24909647 CCC(C)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000748023 [0,1,0,0,0,0|3,0,0]=4 73 B23R3.24909647 CCC(C)CSC1c2ccccc2CCc3c1cccc3 62a_100000748023_100000031795 [0,1,0,0,0,0|3,0,0]=4 74 B23R3.24909647 CCC(O)CNC1c2ccccc2CCc3c1cccc3 2230a_100011218483_100000031795 [0,1,0,0,0,0|3,0,0]=4 75 B23R3.24909647 CCC(O)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011218378 [0,1,0,0,0,0|3,0,0]=4 76 B23R3.24909647 CCC(O)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011218378 [0,1,0,0,0,0|3,0,0]=4 77 B23R3.24909647 CCC(O)CSC1c2ccccc2CCc3c1cccc3 62a_100011218378_100000031795 [0,1,0,0,0,0|3,0,0]=4 78 B23R3.24909647 CC[C@H](C)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100009816398 [0,1,0,0,0,0|3,0,0]=4 79 B23R3.24909647 CC[C@H](C)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100009816398 [0,1,0,0,0,0|3,0,0]=4 80 B23R3.24909647 CC[C@H](C)COC1c2ccccc2CCc3c1cccc3 7a_100009816381_100000031795 [0,1,0,0,0,0|3,0,0]=4 81 B23R3.24909647 CC[C@H](C)CSC1c2ccccc2CCc3c1cccc3 62a_100009816398_100000031795 [0,1,0,0,0,0|3,0,0]=4 82 B23R3.24909647 CNC(=O)CNC1c2ccccc2CCc3c1cccc3 2230a_100000693194_100000031795 [0,1,0,0,0,0|2,0,1]=4 83 B23R3.24909647 CNC(=O)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000183359 [0,1,0,0,0,0|2,0,1]=4 84 B23R3.24909647 CNC(=O)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000183359 [0,1,0,0,0,0|2,0,1]=4 85 B23R3.24909647 CNC(=O)CSC1c2ccccc2CCc3c1cccc3 62a_100000183359_100000031795 [0,1,0,0,0,0|2,0,1]=4 86 B23R3.24909647 CO[C@H](C)CNC1c2ccccc2CCc3c1cccc3 2230a_100020591295_100000031795 [0,1,0,0,0,0|3,0,0]=4 87 B23R3.25657126 C#CCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000695029 [0,1,0,0,0,0|2,0,1]=4 88 B23R3.25657126 C#CCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011215417 [0,1,0,0,0,0|2,0,1]=4 89 B23R3.25657126 C#CCCCOC1c2ccccc2CCc3c1cccc3 7a_100000215630_100000031795 [0,1,0,0,0,0|2,0,1]=4 90 B23R3.25657126 C#CCCCSC1c2ccccc2CCc3c1cccc3 62a_100011215417_100000031795 [0,1,0,0,0,0|2,0,1]=4 91 B23R3.25657126 C=CCCCNC1c2ccccc2CCc3c1cccc3 2230a_100000700776_100000031795 [0,1,0,0,0,0|2,0,1]=4 92 B23R3.25657126 C=CCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000757094 [0,1,0,0,0,0|2,0,1]=4 93 B23R3.25657126 C=CCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000757094 [0,1,0,0,0,0|2,0,1]=4 94 B23R3.25657126 C=CCCCOC1c2ccccc2CCc3c1cccc3 7a_100000758997_100000031795 [0,1,0,0,0,0|2,0,1]=4 95 B23R3.25657126 C=CCCCSC1c2ccccc2CCc3c1cccc3 62a_100011713584_100000031795 [0,1,0,0,0,0|2,0,1]=4 96 B23R3.25657126 CCCCCNC1c2ccccc2CCc3c1cccc3 2230a_100000209983_100000031795 [0,1,0,0,0,0|2,0,0]=3 97 B23R3.25657126 CCCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000718602 [0,1,0,0,0,0|2,0,0]=3 98 B23R3.25657126 CCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210326 [0,1,0,0,0,0|2,0,0]=3 99 B23R3.25657126 CCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000210253_100000031795 [0,1,0,0,0,0|2,0,0]=3 100 B23R3.25657126 CCCCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000210326 [0,1,0,0,0,0|3,0,0]=4 101 B23R3.25657126 CCCCCSC1c2ccccc2CCc3c1cccc3 62a_100000210326_100000031795 [0,1,0,0,0,0|2,0,0]=3 102 B23R3.25657126 CCCCNN=C1c2ccccc2CCc3c1cccc3 4a_100025702795_100000061076 [0,1,0,0,0,0|3,0,0]=4 103 B23R3.25657126 CCOCCNC1c2ccccc2CCc3c1cccc3 2230a_102516460346_100000031795 [0,1,0,0,0,0|3,0,0]=4 104 B23R3.25657126 CCOCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210147 [0,1,0,0,0,0|3,0,0]=4 105 B23R3.25657126 CCOCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011215890 [0,1,0,0,0,0|3,0,0]=4 106 B23R3.25657126 CCOCCOC1c2ccccc2CCc3c1cccc3 7a_100000210136_100000031795 [0,1,0,0,0,0|3,0,0]=4 107 B23R3.25657126 CCOCCSC1c2ccccc2CCc3c1cccc3 62a_100000210147_100000031795 [0,1,0,0,0,0|3,0,0]=4 108 B23R3.25657126 CCSCCNC1c2ccccc2CCc3c1cccc3 2230a_100000106463_100000031795 [0,1,0,0,0,0|3,0,0]=4 109 B23R3.25657126 CCSCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000757381 [0,1,0,0,0,0|3,0,0]=4 110 B23R3.25657126 CCSCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000757381 [0,1,0,0,0,0|3,0,0]=4 111 B23R3.25657126 CCSCCOC1c2ccccc2CCc3c1cccc3 7a_100000212035_100000031795 [0,1,0,0,0,0|3,0,0]=4 112 B23R3.25657126 CCSCCSC1c2ccccc2CCc3c1cccc3 62a_100000757381_100000031795 [0,1,0,0,0,0|3,0,0]=4 113 B23R3.25657126 COCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000740836 [0,1,0,0,0,0|2,0,0]=3 114 B23R3.25657126 COCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000740836 [0,1,0,0,0,0|2,0,0]=3 115 B23R3.25657126 COCCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000740836 [0,1,0,0,0,0|3,0,0]=4 116 B23R3.25657126 COCCCSC1c2ccccc2CCc3c1cccc3 62a_100000709357_100000031795 [0,1,0,0,0,0|2,0,0]=3 117 B23R3.25657126 CSCCCNC1c2ccccc2CCc3c1cccc3 2230a_100000749238_100000031795 [0,1,0,0,0,0|2,0,0]=3 118 B23R3.25657126 CSCCCOC1c2ccccc2CCc3c1cccc3 7a_100000690336_100000031795 [0,1,0,0,0,0|2,0,0]=3 119 B23R3.25657126 ClCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000210776_100000031795 [0,1,0,0,0,0|3,0,0]=4 120 B23R3.25657126 FCCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000729493 [0,1,0,0,0,0|3,0,0]=4 121 B23R3.25657126 FCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000729493 [0,1,0,0,0,0|3,0,0]=4 122 B23R3.25657126 FCCCCOC1c2ccccc2CCc3c1cccc3 7a_100011995726_100000031795 [0,1,0,0,0,0|3,0,0]=4 123 B23R3.25657126 FCCCCSC1c2ccccc2CCc3c1cccc3 62a_100000729493_100000031795 [0,1,0,0,0,0|3,0,0]=4 124 B23R3.25657126 N#CCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000687738 [0,1,0,0,0,0|3,0,0]=4 125 B23R3.25657126 N#CCCCSC1c2ccccc2CCc3c1cccc3 62a_100000687738_100000031795 [0,1,0,0,0,0|3,0,0]=4 126 B23R3.25657126 O=CCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_200011292268 [0,1,0,0,0,0|3,0,0]=4 127 B23R3.25657126 O=CCCCSC1c2ccccc2CCc3c1cccc3 62a_200011292268_100000031795 [0,1,0,0,0,0|3,0,0]=4 128 B23R3.25657126 OCCCCNC1c2ccccc2CCc3c1cccc3 2230a_100000750430_100000031795 [0,1,0,0,0,0|3,0,0]=4 129 B23R3.25657126 OCCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011216708 [0,1,0,0,0,0|3,0,0]=4 130 B23R3.25657126 OCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210776 [0,1,0,0,0,0|3,0,0]=4 131 B23R3.25657126 OCCCCSC1c2ccccc2CCc3c1cccc3 62a_100000210776_100000031795 [0,1,0,0,0,0|3,0,0]=4 132 B23R3.26139327 C=C(C)CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000730704 [0,1,0,0,0,0|3,0,0]=4 133 B23R3.26139327 C=C(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000730704 [0,1,0,0,0,0|3,0,0]=4 134 B23R3.26139327 C=C(C)CCSC1c2ccccc2CCc3c1cccc3 62a_100000730704_100000031795 [0,1,0,0,0,0|3,0,0]=4 135 B23R3.26139327 CC(=O)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000053229 [0,1,0,0,0,0|3,0,0]=4 136 B23R3.26139327 CC(=O)CCOC1c2ccccc2CCc3c1cccc3 7a_100000759926_100000031795 [0,1,0,0,0,0|3,0,0]=4 137 B23R3.26139327 CC(=O)CCSC1c2ccccc2CCc3c1cccc3 62a_100000053229_100000031795 [0,1,0,0,0,0|3,0,0]=4 138 B23R3.26139327 CC(C)CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210312 [0,1,0,0,0,0|3,0,0]=4 139 B23R3.26139327 CC(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210626 [0,1,0,0,0,0|3,0,0]=4 140 B23R3.26139327 CC(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000210254_100000031795 [0,1,0,0,0,0|3,0,0]=4 141 B23R3.26139327 CC(C)CCSC1c2ccccc2CCc3c1cccc3 62a_100000210312_100000031795 [0,1,0,0,0,0|3,0,0]=4 142 B23R3.26139327 CC(O)CCNC1c2ccccc2CCc3c1cccc3 2230a_200000755665_100000031795 [0,1,0,0,0,0|3,0,0]=4 143 B23R3.26139327 CC(O)CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100012276601 [0,1,0,0,0,0|3,0,0]=4 144 B23R3.26139327 CC(O)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100012276601 [0,1,0,0,0,0|3,0,0]=4 145 B23R3.26139327 CC(O)CCSC1c2ccccc2CCc3c1cccc3 62a_100012276601_100000031795 [0,1,0,0,0,0|3,0,0]=4 146 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_200000210301 [0,1,0,0,0,0|1,0,1]=3 147 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_200000210301 [0,1,0,0,0,0|1,0,1]=3 148 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_200000210301 [0,1,0,0,0,0|1,0,1]=3 149 B23R3.26139327 CN(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000755713 [0,1,0,0,0,0|2,0,0]=3 150 B23R3.26139327 CN(C)CCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000755713 [0,1,0,0,0,0|3,0,0]=4 151 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_200025704644 [0,1,0,0,0,0|1,0,1]=3 152 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_200025704644 [0,1,0,0,0,0|1,0,1]=3 153 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_200025704644 [0,1,0,0,0,0|1,0,1]=3 154 B23R3.32306063 CCCCN(C)C1c2ccccc2CCc3c1cccc3 2230a_100000207549_100000031795 [0,1,0,0,0,0|3,0,0]=4 155 B23R3.32306063 CCCCN(C)C1c2ccccc2CCc3c1cccc3 269982a_100000207549_100000031795 [0,1,0,0,0,0|3,0,0]=4 156 B23R3.32306063 CCNCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_100015525214_200000596418 [0,1,0,0,0,0|2,0,1]=4 157 B23R3.32306063 CCOCC(=O)N1c2ccccc2CCc3c1cccc3 34a_100121572206_200000596418 [0,1,0,0,0,0|2,0,1]=4 158 B23R3.32306063 CCSCC(=O)N1c2ccccc2CCc3c1cccc3 62a_100000210202_200000596418 [0,1,0,0,0,0|2,0,1]=4 159 B23R3.32306063 CNCCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_106832991635_200020598663 [0,1,0,0,0,0|0,0,1]=2 160 B23R3.32306063 CNCCC(=O)N1c2ccccc2CCc3c1cccc3 7a_106832991635_200020598663 [0,1,0,0,0,0|0,0,1]=2 161 B23R3.32306063 COCCN(C)C1c2ccccc2CCc3c1cccc3 2230a_100000743101_100000031795 [0,1,0,0,0,0|3,0,0]=4 162 B23R3.32306063 COCCN(C)C1c2ccccc2CCc3c1cccc3 269982a_100000743101_100000031795 [0,1,0,0,0,0|3,0,0]=4 163 B23R3.32306063 CSCCC(=O)N1c2ccccc2CCc3c1cccc3 62a_200000210301_200020598663 [0,1,0,0,0,0|1,0,1]=3 164 B23R3.32306063 CSCCN(C)C1c2ccccc2CCc3c1cccc3 2230a_100000686725_100000031795 [0,1,0,0,0,0|3,0,0]=4 165 B23R3.32306063 CSCCN(C)C1c2ccccc2CCc3c1cccc3 269982a_100000686725_100000031795 [0,1,0,0,0,0|3,0,0]=4 166 B23R3.32306063 [13CH3]SCCC(=O)N1c2ccccc2CCc3c1cccc3 62a_200025704644_200020598663 [0,1,0,0,0,0|1,0,1]=3 167 B21R2.14087 C#CCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000695029 [0,0,1,0,0,0|2,0,1]=4 168 B21R2.14087 C#CCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100000731252 [0,0,1,0,0,0|2,0,1]=4 169 B21R2.14087 C#CCCCNc1ccccc1COc2ccccc2 34a_100000742786_100000695029 [0,0,1,0,0,0|2,0,1]=4 170 B21R2.14087 C#CCCCNc1ccccc1COc2ccccc2 7a_100000742786_100011215417 [0,0,1,0,0,0|2,0,1]=4 171 B21R2.14087 C#CCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000695029 [0,0,1,0,0,0|2,0,1]=4 172 B21R2.14087 C#CCCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000695029 [0,0,1,0,0,0|2,0,1]=4 173 B21R2.14087 C#CCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100011215417 [0,0,1,0,0,0|2,0,1]=4 174 B21R2.14087 C=CCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000757094 [0,0,1,0,0,0|2,0,1]=4 175 B21R2.14087 C=CCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100011713584 [0,0,1,0,0,0|2,0,1]=4 176 B21R2.14087 C=CCCCNc1ccccc1COc2ccccc2 34a_100000742786_100000757094 [0,0,1,0,0,0|2,0,1]=4 177 B21R2.14087 C=CCCCNc1ccccc1COc2ccccc2 7a_100000742786_100000757094 [0,0,1,0,0,0|2,0,1]=4 178 B21R2.14087 C=CCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000757094 [0,0,1,0,0,0|2,0,1]=4 179 B21R2.14087 C=CCCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000757094 [0,0,1,0,0,0|2,0,1]=4 180 B21R2.14087 C=CCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000757094 [0,0,1,0,0,0|2,0,1]=4 181 B21R2.14087 CCCCCNc1ccccc1C#Cc2ccccc2 2230a_100000044502_100000210326 [0,0,1,0,0,0|1,0,2]=4 182 B21R2.14087 CCCCCNc1ccccc1C#Cc2ccccc2 34a_100000044502_100000718602 [0,0,1,0,0,0|1,0,2]=4 183 B21R2.14087 CCCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000718602 [0,0,1,0,0,0|2,0,0]=3 184 B21R2.14087 CCCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100000210326 [0,0,1,0,0,0|2,0,0]=3 185 B21R2.14087 CCCCCNc1ccccc1COc2ccccc2 34a_100000742786_100000718602 [0,0,1,0,0,0|2,0,0]=3 186 B21R2.14087 CCCCCNc1ccccc1COc2ccccc2 7a_100000742786_100000210326 [0,0,1,0,0,0|2,0,0]=3 187 B21R2.14087 CCCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000718602 [0,0,1,0,0,0|2,0,0]=3 188 B21R2.14087 CCCCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000718602 [0,0,1,0,0,0|2,0,0]=3 189 B21R2.14087 CCCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000210326 [0,0,1,0,0,0|2,0,0]=3 190 B21R2.14087 CCCCCOc1ccccc1OCc2ccccc2 34a_100000187230_100000718602 [0,0,1,0,0,0|3,0,0]=4 191 B21R2.14087 CCCCCOc1ccccc1OCc2ccccc2 7a_100000187230_100000210326 [0,0,1,0,0,0|3,0,0]=4 192 B21R2.14087 CCCCCSc1ccccc1OCc2ccccc2 62a_100000151716_100000210326 [0,0,1,0,0,0|3,0,0]=4 193 B21R2.14087 CCCCCSc1ccccc1OCc2ccccc2 62a_100000210326_100000151716 [0,0,1,0,0,0|3,0,0]=4 194 B21R2.14087 CCCCOCc1ccccc1CCc2ccccc2 34a_200000042600_100000210210 [0,0,1,0,0,0|3,0,0]=4 195 B21R2.14087 CCCCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000210211 [0,0,1,0,0,0|3,0,0]=4 196 B21R2.14087 CCOCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000210147 [0,0,1,0,0,0|3,0,0]=4 197 B21R2.14087 CCOCCNc1ccccc1COc2ccccc2 2230a_100000742786_100011215890 [0,0,1,0,0,0|3,0,0]=4 198 B21R2.14087 CCOCCNc1ccccc1COc2ccccc2 34a_100000742786_100000210147 [0,0,1,0,0,0|3,0,0]=4 199 B21R2.14087 CCOCCNc1ccccc1COc2ccccc2 7a_100000742786_100011215890 [0,0,1,0,0,0|3,0,0]=4 200 B21R2.14087 CCOCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000210147 [0,0,1,0,0,0|3,0,0]=4 201 B21R2.14087 CCOCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000210147 [0,0,1,0,0,0|3,0,0]=4 202 B21R2.14087 CCOCCNc1ccccc1SCc2ccccc2 7a_100000198535_100011215890 [0,0,1,0,0,0|3,0,0]=4 203 B21R2.14087 CCSCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000757381 [0,0,1,0,0,0|3,0,0]=4 204 B21R2.14087 CCSCCNc1ccccc1COc2ccccc2 2230a_100000742786_100000757381 [0,0,1,0,0,0|3,0,0]=4 205 B21R2.14087 CCSCCNc1ccccc1COc2ccccc2 34a_100000742786_100000757381 [0,0,1,0,0,0|3,0,0]=4 206 B21R2.14087 CCSCCNc1ccccc1COc2ccccc2 7a_100000742786_100000757381 [0,0,1,0,0,0|3,0,0]=4 207 B21R2.14087 CCSCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000757381 [0,0,1,0,0,0|3,0,0]=4 208 B21R2.14087 CCSCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000757381 [0,0,1,0,0,0|3,0,0]=4 209 B21R2.14087 CCSCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000757381 [0,0,1,0,0,0|3,0,0]=4 210 B21R2.14087 CNCCCOc1ccccc1C#Cc2ccccc2 271570a_100000069678_100015186278 [0,0,1,0,0,0|1,0,2]=4 211 B21R2.14087 CNCCCOc1ccccc1C=Cc2ccccc2 271570a_100102527694_100015186278 [0,0,1,0,0,0|1,0,2]=4 212 B21R2.14087 CNCCCOc1ccccc1SCc2ccccc2 62a_100000211182_100015186278 [0,0,1,0,0,0|2,0,0]=3 213 B21R2.14087 CNCCCOc1ccccc1SCc2ccccc2 62a_100015186278_100015291786 [0,0,1,0,0,0|2,0,0]=3 214 B21R2.14087 CNCCCOc1ccccc1SCc2ccccn2 62a_100000721315_100015186278 [0,0,1,0,0,0|3,0,0]=4 215 B21R2.14087 CNCCCOc1ccccc1SCc2ccccn2 62a_100015186278_100000721315 [0,0,1,0,0,0|3,0,0]=4 216 B21R2.14087 CNCCCOc1ccccc1SCc2cccnc2 62a_100000741622_100015186278 [0,0,1,0,0,0|3,0,0]=4 217 B21R2.14087 CNCCCOc1ccccc1SCc2cccnc2 62a_100015186278_100000741622 [0,0,1,0,0,0|3,0,0]=4 218 B21R2.14087 CNCCCOc1ccccc1SCc2ccncc2 62a_100015186278_100015193705 [0,0,1,0,0,0|3,0,0]=4 219 B21R2.14087 CNCCCOc1ccccc1SCc2ccncc2 62a_100015193705_100015186278 [0,0,1,0,0,0|3,0,0]=4 220 B21R2.14087 COCCCNc1ccccc1C#Cc2ccccc2 2230a_100000044502_100000740836 [0,0,1,0,0,0|1,0,2]=4 221 B21R2.14087 COCCCNc1ccccc1C#Cc2ccccc2 34a_100000044502_100000740836 [0,0,1,0,0,0|1,0,2]=4 222 B21R2.14087 COCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000740836 [0,0,1,0,0,0|2,0,0]=3 223 B21R2.14087 COCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100000740836 [0,0,1,0,0,0|2,0,0]=3 224 B21R2.14087 COCCCNc1ccccc1COc2ccccc2 34a_100000742786_100000740836 [0,0,1,0,0,0|2,0,0]=3 225 B21R2.14087 COCCCNc1ccccc1COc2ccccc2 7a_100000742786_100000740836 [0,0,1,0,0,0|2,0,0]=3 226 B21R2.14087 COCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000740836 [0,0,1,0,0,0|2,0,0]=3 227 B21R2.14087 COCCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000740836 [0,0,1,0,0,0|2,0,0]=3 228 B21R2.14087 COCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000740836 [0,0,1,0,0,0|2,0,0]=3 229 B21R2.14087 COCCCOc1ccccc1CNc2ccccc2 207a_100000106764_200011202906 [0,0,1,0,0,0|3,0,0]=4 230 B21R2.14087 COCCCOc1ccccc1CNc2ccccc2 270302a_100000106764_200011202906 [0,0,1,0,0,0|3,0,0]=4 231 B21R2.14087 COCCCOc1ccccc1NCc2ccccc2 207a_100000744116_100015611070 [0,0,1,0,0,0|3,0,0]=4 232 B21R2.14087 COCCCOc1ccccc1NCc2ccccc2 2230a_100000744116_100015291786 [0,0,1,0,0,0|3,0,0]=4 233 B21R2.14087 COCCCOc1ccccc1NCc2ccccc2 270302a_100000744116_100015611070 [0,0,1,0,0,0|3,0,0]=4 234 B21R2.14087 COCCCOc1ccccc1NCc2ccccc2 34a_100000744116_100015291786 [0,0,1,0,0,0|3,0,0]=4 235 B21R2.14087 COCCCOc1ccccc1OCc2ccccc2 34a_100000187230_100000740836 [0,0,1,0,0,0|3,0,0]=4 236 B21R2.14087 COCCCOc1ccccc1OCc2ccccc2 7a_100000187230_100000740836 [0,0,1,0,0,0|3,0,0]=4 237 B21R2.14087 COCCCSc1ccccc1OCc2ccccc2 62a_100000151716_100000709357 [0,0,1,0,0,0|3,0,0]=4 238 B21R2.14087 COCCCSc1ccccc1OCc2ccccc2 62a_100000709357_100000151716 [0,0,1,0,0,0|3,0,0]=4 239 B21R2.14087 COCCOCc1ccccc1CCc2ccccc2 34a_200000042600_100011201679 [0,0,1,0,0,0|3,0,0]=4 240 B21R2.14087 COCCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000233755 [0,0,1,0,0,0|3,0,0]=4 241 B21R2.14087 CSCCOCc1ccccc1CCc2ccccc2 34a_200000042600_100000212216 [0,0,1,0,0,0|3,0,0]=4 242 B21R2.14087 CSCCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000212216 [0,0,1,0,0,0|3,0,0]=4 243 B21R2.14087 FCCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000729493 [0,0,1,0,0,0|3,0,0]=4 244 B21R2.14087 FCCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100000729493 [0,0,1,0,0,0|3,0,0]=4 245 B21R2.14087 FCCCCNc1ccccc1COc2ccccc2 34a_100000742786_100000729493 [0,0,1,0,0,0|3,0,0]=4 246 B21R2.14087 FCCCCNc1ccccc1COc2ccccc2 7a_100000742786_100000729493 [0,0,1,0,0,0|3,0,0]=4 247 B21R2.14087 FCCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000729493 [0,0,1,0,0,0|3,0,0]=4 248 B21R2.14087 FCCCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000729493 [0,0,1,0,0,0|3,0,0]=4 249 B21R2.14087 FCCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000729493 [0,0,1,0,0,0|3,0,0]=4 250 B21R2.14087 N#CCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100000687738 [0,0,1,0,0,0|3,0,0]=4 251 B21R2.14087 N#CCCCNc1ccccc1COc2ccccc2 7a_100000742786_100000687738 [0,0,1,0,0,0|3,0,0]=4 252 B21R2.14087 N#CCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000687738 [0,0,1,0,0,0|3,0,0]=4 253 B21R2.14087 O=CCCCNc1ccccc1COc2ccccc2 2230a_100000742786_200011292268 [0,0,1,0,0,0|3,0,0]=4 254 B21R2.14087 O=CCCCNc1ccccc1COc2ccccc2 7a_100000742786_200011292268 [0,0,1,0,0,0|3,0,0]=4 255 B21R2.14087 O=CCCCNc1ccccc1SCc2ccccc2 7a_100000198535_200011292268 [0,0,1,0,0,0|3,0,0]=4 256 B21R2.14087 OCCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100011216708 [0,0,1,0,0,0|3,0,0]=4 257 B21R2.14087 OCCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100000210776 [0,0,1,0,0,0|3,0,0]=4 258 B21R2.14087 OCCCCNc1ccccc1COc2ccccc2 34a_100000742786_100011216708 [0,0,1,0,0,0|3,0,0]=4 259 B21R2.14087 OCCCCNc1ccccc1COc2ccccc2 7a_100000742786_100000210776 [0,0,1,0,0,0|3,0,0]=4 260 B21R2.14087 OCCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100011216708 [0,0,1,0,0,0|3,0,0]=4 261 B21R2.14087 OCCCCNc1ccccc1SCc2ccccc2 34a_100000198535_100011216708 [0,0,1,0,0,0|3,0,0]=4 262 B21R2.14087 OCCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000210776 [0,0,1,0,0,0|3,0,0]=4 263 B21R2.28169 CCCCCN(c1ccccc1)c2ccncc2CO 27a_200000219563_100000117392 [0,0,1,0,0,0|3,0,0]=4 264 B21R2.28169 CCCCCN(c1ccccc1)c2cncnc2CC 27a_200000219563_100009816992 [0,0,1,0,0,0|3,0,0]=4 265 B21R2.28169 CCCCCN(c1ccccc1)c2nccnc2CC 27a_200000219563_100011995844 [0,0,1,0,0,0|3,0,0]=4 266 B21R2.28169 CCCCCN(c1ccccc1)c2ncncc2CC 27a_200000219563_200000100055 [0,0,1,0,0,0|3,0,0]=4 267 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2NCC4CC4 2230a_100000735609_100000031795 [0,0,0,1,0,0|3,0,0]=4 268 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2OCC4CC4 34a_100000025823_100000742324 [0,0,0,1,0,0|3,0,0]=4 269 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2OCC4CC4 7a_100000025823_100000742324 [0,0,0,1,0,0|3,0,0]=4 270 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2OCC4CO4 34a_100000025823_102125554688 [0,0,0,1,0,0|3,0,0]=4 271 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2OCC4CO4 7a_100000025823_102125554688 [0,0,0,1,0,0|3,0,0]=4 272 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2OCC4CS4 7a_100000025823_100000031435 [0,0,0,1,0,0|3,0,0]=4 273 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2OC[C@@H]4CO4 7a_100000025823_100000745022 [0,0,0,1,0,0|3,0,0]=4 274 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2SCC4CC4 62a_100000756562_100000031795 [0,0,0,1,0,0|3,0,0]=4 275 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2SCC4CO4 62a_102125554688_100000031795 [0,0,0,1,0,0|3,0,0]=4 276 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2SCC4CS4 62a_100000031435_100000031795 [0,0,0,1,0,0|3,0,0]=4 277 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2SC[C@@H]4CO4 62a_100000745022_100000031795 [0,0,0,1,0,0|3,0,0]=4 278 B23R4.1541468 c1ccc2c(c1)CCc3ccccc3C2NC4CCC4 2230a_100000749019_100000031795 [0,0,0,1,0,0|3,0,0]=4 279 B23R4.1541468 c1ccc2c(c1)CCc3ccccc3C2NC4COC4 2230a_100016991112_100000031795 [0,0,0,1,0,0|3,0,0]=4 280 B23R4.1541468 c1ccc2c(c1)CCc3ccccc3C2OC4CCC4 34a_100000025823_100000749161 [0,0,0,1,0,0|3,0,0]=4 281 B23R4.1541468 c1ccc2c(c1)CCc3ccccc3C2OC4COC4 34a_100000025823_100009818527 [0,0,0,1,0,0|3,0,0]=4 282 B23R4.1541468 c1ccc2c(c1)CCc3ccccc3C2OC4COC4 7a_100000025823_100009818527 [0,0,0,1,0,0|3,0,0]=4 283 B23R4.1541468 c1ccc2c(c1)CCc3ccccc3C2OC4CSC4 7a_100000072292_100000031795 [0,0,0,1,0,0|3,0,0]=4 284 B23R4.4597753 c1ccc2c(c1)CCc3ccccc3C2N4CCCC4 2230a_100000188435_100000031795 [0,0,0,1,0,0|3,0,0]=4 285 B23R4.4597753 c1ccc2c(c1)CCc3ccccc3C2N4CCCC4 269982a_100000188435_100000031795 [0,0,0,1,0,0|3,0,0]=4 286 B23R4.4597753 c1ccc2c(c1)CCc3ccccc3C2N4CCSC4 2230a_100011215254_100000031795 [0,0,0,1,0,0|3,0,0]=4 287 B23R4.4597753 c1ccc2c(c1)CCc3ccccc3C2N4CCSC4 269982a_100011215254_100000031795 [0,0,0,1,0,0|3,0,0]=4 288 B23R4.20943140 CC1CCN1C2c3ccccc3CCc4c2cccc4 269982a_100000755817_100000031795 [0,0,0,1,0,0|3,0,0]=4 289 B20R2.3566 CCCCNc1ccccc1C#Cc2ccccc2 2230a_100000044502_100000210211 [1,0,1,0,0,0|0,0,2]=4 290 B20R2.3566 CCCCNc1ccccc1C#Cc2ccccc2 34a_100000044502_100000210210 [1,0,1,0,0,0|0,0,2]=4 291 B20R2.3566 CCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000210210 [1,0,1,0,0,0|1,0,0]=3 292 B20R2.3566 CCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100000210211 [1,0,1,0,0,0|1,0,0]=3 293 B20R2.3566 CCCCNc1ccccc1COc2ccccc2 34a_100000742786_100000210210 [1,0,1,0,0,0|1,0,0]=3 294 B20R2.3566 CCCCNc1ccccc1COc2ccccc2 7a_100000742786_100000210211 [1,0,1,0,0,0|1,0,0]=3 295 B20R2.3566 CCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000210210 [1,0,1,0,0,0|1,0,0]=3 296 B20R2.3566 CCCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000210210 [1,0,1,0,0,0|1,0,0]=3 297 B20R2.3566 CCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000210211 [1,0,1,0,0,0|1,0,0]=3 298 B20R2.3566 CCCCOc1ccccc1CNc2ccccc2 207a_100000106764_100000188526 [1,0,1,0,0,0|2,0,0]=4 299 B20R2.3566 CCCCOc1ccccc1CNc2ccccc2 270302a_100000106764_100000188526 [1,0,1,0,0,0|2,0,0]=4 300 B20R2.3566 CCCCOc1ccccc1NCc2ccccc2 207a_100000743494_100015611070 [1,0,1,0,0,0|2,0,0]=4 301 B20R2.3566 CCCCOc1ccccc1NCc2ccccc2 2230a_100000743494_100015291786 [1,0,1,0,0,0|2,0,0]=4 302 B20R2.3566 CCCCOc1ccccc1NCc2ccccc2 270302a_100000743494_100015611070 [1,0,1,0,0,0|2,0,0]=4 303 B20R2.3566 CCCCOc1ccccc1NCc2ccccc2 34a_100000743494_100015291786 [1,0,1,0,0,0|2,0,0]=4 304 B20R2.3566 CCCCOc1ccccc1OCc2ccccc2 34a_100000187230_100000210210 [1,0,1,0,0,0|2,0,0]=4 305 B20R2.3566 CCCCOc1ccccc1OCc2ccccc2 7a_100000187230_100000210211 [1,0,1,0,0,0|2,0,0]=4 306 B20R2.3566 CCCCOc1ccccc1SCc2ccccc2 62a_100000211182_100000230755 [1,0,1,0,0,0|2,0,0]=4 307 B20R2.3566 CCCCOc1ccccc1SCc2ccccc2 62a_100000230755_100015291786 [1,0,1,0,0,0|2,0,0]=4 308 B20R2.3566 CCCCSc1ccccc1OCc2ccccc2 62a_100000151716_100000210210 [1,0,1,0,0,0|2,0,0]=4 309 B20R2.3566 CCCCSc1ccccc1OCc2ccccc2 62a_100000210211_100000151716 [1,0,1,0,0,0|2,0,0]=4 310 B20R2.3566 CCCOCc1ccccc1CCc2ccccc2 34a_200000042600_100000210303 [1,0,1,0,0,0|2,0,0]=4 311 B20R2.3566 CCCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000210303 [1,0,1,0,0,0|2,0,0]=4 312 B20R2.3566 COCCNc1ccccc1CCc2ccccn2 34a_200000071813_100011201679 [1,0,1,0,0,0|2,0,0]=4 313 B20R2.3566 COCCNc1ccccc1COc2ccccc2 2230a_100000742786_100011201679 [1,0,1,0,0,0|2,0,0]=4 314 B20R2.3566 COCCNc1ccccc1COc2ccccc2 34a_100000742786_100011201679 [1,0,1,0,0,0|2,0,0]=4 315 B20R2.3566 COCCNc1ccccc1COc2ccccc2 7a_100000742786_100000233755 [1,0,1,0,0,0|2,0,0]=4 316 B20R2.3566 COCCNc1ccccc1OCc2ccccc2 34a_100011193923_100011201679 [1,0,1,0,0,0|2,0,0]=4 317 B20R2.3566 COCCNc1ccccc1SCc2ccccc2 34a_100000198535_100011201679 [1,0,1,0,0,0|2,0,0]=4 318 B20R2.3566 COCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000233755 [1,0,1,0,0,0|2,0,0]=4 319 B20R2.3566 CSCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000212216 [1,0,1,0,0,0|2,0,0]=4 320 B20R2.3566 CSCCNc1ccccc1COc2ccccc2 2230a_100000742786_100000751147 [1,0,1,0,0,0|2,0,0]=4 321 B20R2.3566 CSCCNc1ccccc1COc2ccccc2 34a_100000742786_100000212216 [1,0,1,0,0,0|2,0,0]=4 322 B20R2.3566 CSCCNc1ccccc1COc2ccccc2 7a_100000742786_100000212216 [1,0,1,0,0,0|2,0,0]=4 323 B20R2.3566 CSCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000212216 [1,0,1,0,0,0|2,0,0]=4 324 B20R2.3566 CSCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000212216 [1,0,1,0,0,0|2,0,0]=4 325 B20R2.3566 CSCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000212216 [1,0,1,0,0,0|2,0,0]=4 326 B20R2.3566 CSCOCc1ccccc1CCc2ccccc2 34a_200000042600_100011218213 [1,0,1,0,0,0|2,0,0]=4 327 B20R2.3566 FCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100011934791 [1,0,1,0,0,0|2,0,0]=4 328 B20R2.3566 FCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100011934791 [1,0,1,0,0,0|2,0,0]=4 329 B20R2.3566 FCCCNc1ccccc1COc2ccccc2 34a_100000742786_100011934791 [1,0,1,0,0,0|2,0,0]=4 330 B20R2.3566 FCCCNc1ccccc1COc2ccccc2 7a_100000742786_100011934791 [1,0,1,0,0,0|2,0,0]=4 331 B20R2.3566 FCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100011934791 [1,0,1,0,0,0|2,0,0]=4 332 B20R2.3566 FCCCNc1ccccc1SCc2ccccc2 34a_100000198535_100011934791 [1,0,1,0,0,0|2,0,0]=4 333 B20R2.3566 FCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100011934791 [1,0,1,0,0,0|2,0,0]=4 334 B20R2.3566 OCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000230001 [1,0,1,0,0,0|2,0,0]=4 335 B20R2.3566 OCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100000230001 [1,0,1,0,0,0|2,0,0]=4 336 B20R2.3566 OCCCNc1ccccc1COc2ccccc2 34a_100000742786_100000230001 [1,0,1,0,0,0|2,0,0]=4 337 B20R2.3566 OCCCNc1ccccc1COc2ccccc2 7a_100000742786_100011215043 [1,0,1,0,0,0|2,0,0]=4 338 B20R2.3566 OCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000230001 [1,0,1,0,0,0|2,0,0]=4 339 B20R2.3566 OCCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000230001 [1,0,1,0,0,0|2,0,0]=4 340 B20R2.3566 OCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100011215043 [1,0,1,0,0,0|2,0,0]=4 341 B20R2.4914 CCCCN(c1ccccc1)c2ccncc2CO 27a_100000211623_100000117392 [1,0,1,0,0,0|2,0,0]=4 342 B20R2.4914 CCCCN(c1ccccc1)c2cncnc2CC 27a_100000211623_100009816992 [1,0,1,0,0,0|2,0,0]=4 343 B20R2.4914 CCCCN(c1ccccc1)c2nccnc2CC 27a_100000211623_100011995844 [1,0,1,0,0,0|2,0,0]=4 344 B20R2.4914 CCCCN(c1ccccc1)c2ncncc2CC 27a_100000211623_200000100055 [1,0,1,0,0,0|2,0,0]=4 345 B20R2.21885 CCCCCN(c1ccccc1)c2ccncc2C 27a_200000219563_100000765111 [1,0,1,0,0,0|2,0,0]=4 346 B20R3.178278 CCNC1c2ccccc2CCc3c1cccc3 2230a_100015525214_100000031795 [2,0,0,0,0,0|2,0,0]=4 347 B20R3.178278 CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210202 [2,0,0,0,0,0|2,0,0]=4 348 B20R3.178278 CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210202 [2,0,0,0,0,0|2,0,0]=4 349 B20R3.178278 CCSC1c2ccccc2CCc3c1cccc3 62a_100000210202_100000031795 [2,0,0,0,0,0|2,0,0]=4 350 B22R2.1877 CCCCCC(=O)c1ccccc1CCc2ccccc2 1458a_100000610640_100000210326 [0,1,1,0,0,0|2,0,0]=4 351 B22R2.1877 COCCCC(=O)c1ccccc1CCc2ccccc2 1458a_100000610640_100000740836 [0,1,1,0,0,0|2,0,0]=4 352 B22R2.8330 CCCCCNc1cc(ccc1OCc2ccccc2)Br 2230a_200011228974_100000210326 [0,1,1,0,0,0|2,0,0]=4 353 B22R2.8330 CCCCCNc1cc(ccc1OCc2ccccc2)Br 34a_200011228974_100000718602 [0,1,1,0,0,0|2,0,0]=4 354 B22R2.8330 CCCCCNc1cc(ccc1OCc2ccccc2)Br 7a_200011228974_100000210326 [0,1,1,0,0,0|2,0,0]=4 355 B22R2.8330 COCCCNc1cc(ccc1OCc2ccccc2)Br 2230a_200011228974_100000740836 [0,1,1,0,0,0|2,0,0]=4 356 B22R2.8330 COCCCNc1cc(ccc1OCc2ccccc2)Br 34a_200011228974_100000740836 [0,1,1,0,0,0|2,0,0]=4 357 B22R2.8330 COCCCNc1cc(ccc1OCc2ccccc2)Br 7a_200011228974_100000740836 [0,1,1,0,0,0|2,0,0]=4 358 B22R2.8831 CCCCCNc1ccccc1N(C)Cc2ccccc2 2230a_100000745351_100000210326 [0,1,1,0,0,0|2,0,0]=4 359 B22R2.8831 COCCCNc1ccccc1N(C)Cc2ccccc2 2230a_100000745351_100000740836 [0,1,1,0,0,0|2,0,0]=4 360 B22R2.8832 CCCCCNc1ccccc1SCc2cccc(c2)C 2230a_200015184035_100000210326 [0,1,1,0,0,0|2,0,0]=4 361 B22R2.8832 CCCCCNc1ccccc1SCc2cccc(c2)C 34a_200015184035_100000718602 [0,1,1,0,0,0|2,0,0]=4 362 B22R2.8832 CCCCCNc1ccccc1SCc2cccc(c2)C 7a_200015184035_100000210326 [0,1,1,0,0,0|2,0,0]=4 363 B22R2.8832 CCCCCNc1ccccc1SCc2cccc(c2)F 2230a_100015187172_100000210326 [0,1,1,0,0,0|2,0,0]=4 364 B22R2.8832 CCCCCNc1ccccc1SCc2cccc(c2)F 34a_100015187172_100000718602 [0,1,1,0,0,0|2,0,0]=4 365 B22R2.8832 CCCCCNc1ccccc1SCc2cccc(c2)F 7a_100015187172_100000210326 [0,1,1,0,0,0|2,0,0]=4 366 B22R2.8832 CNCCCOc1ccccc1SCc2cccc(c2)Br 62a_100000211773_100015186278 [0,1,1,0,0,0|2,0,0]=4 367 B22R2.8832 CNCCCOc1ccccc1SCc2cccc(c2)Br 62a_100015186278_100000211773 [0,1,1,0,0,0|2,0,0]=4 368 B22R2.8832 CNCCCOc1ccccc1SCc2cccc(c2)C 62a_100000211840_100015186278 [0,1,1,0,0,0|2,0,0]=4 369 B22R2.8832 CNCCCOc1ccccc1SCc2cccc(c2)C 62a_100015186278_100000211840 [0,1,1,0,0,0|2,0,0]=4 370 B22R2.8832 CNCCCOc1ccccc1SCc2cccc(c2)Cl 62a_100000187163_100015186278 [0,1,1,0,0,0|2,0,0]=4 371 B22R2.8832 CNCCCOc1ccccc1SCc2cccc(c2)Cl 62a_100015186278_100000187163 [0,1,1,0,0,0|2,0,0]=4 372 B22R2.8832 CNCCCOc1ccccc1SCc2cccc(c2)F 62a_100000230114_100015186278 [0,1,1,0,0,0|2,0,0]=4 373 B22R2.8832 CNCCCOc1ccccc1SCc2cccc(c2)F 62a_100015186278_100000230114 [0,1,1,0,0,0|2,0,0]=4 374 B22R2.8832 CNCCCOc1ccccc1SCc2cccc(c2)I 62a_100011218688_100015186278 [0,1,1,0,0,0|2,0,0]=4 375 B22R2.8832 CNCCCOc1ccccc1SCc2cccc(c2)I 62a_100015186278_100011218688 [0,1,1,0,0,0|2,0,0]=4 376 B22R2.8832 CNCCCOc1ccccc1SCc2cccc(c2)O 62a_100011660834_100015186278 [0,1,1,0,0,0|2,0,0]=4 377 B22R2.8832 CNCCCOc1ccccc1SCc2cccc(c2)O 62a_100015186278_100011660834 [0,1,1,0,0,0|2,0,0]=4 378 B22R2.8832 COCCCNc1ccccc1SCc2cccc(c2)C 2230a_200015184035_100000740836 [0,1,1,0,0,0|2,0,0]=4 379 B22R2.8832 COCCCNc1ccccc1SCc2cccc(c2)C 34a_200015184035_100000740836 [0,1,1,0,0,0|2,0,0]=4 380 B22R2.8832 COCCCNc1ccccc1SCc2cccc(c2)C 7a_200015184035_100000740836 [0,1,1,0,0,0|2,0,0]=4 381 B22R2.8832 COCCCNc1ccccc1SCc2cccc(c2)Cl 2230a_100015184656_100000740836 [0,1,1,0,0,0|2,0,0]=4 382 B22R2.8832 COCCCNc1ccccc1SCc2cccc(c2)Cl 34a_100015184656_100000740836 [0,1,1,0,0,0|2,0,0]=4 383 B22R2.8832 COCCCNc1ccccc1SCc2cccc(c2)Cl 7a_100015184656_100000740836 [0,1,1,0,0,0|2,0,0]=4 384 B22R2.8832 COCCCNc1ccccc1SCc2cccc(c2)F 2230a_100015187172_100000740836 [0,1,1,0,0,0|2,0,0]=4 385 B22R2.8832 COCCCNc1ccccc1SCc2cccc(c2)F 34a_100015187172_100000740836 [0,1,1,0,0,0|2,0,0]=4 386 B22R2.8832 COCCCNc1ccccc1SCc2cccc(c2)F 7a_100015187172_100000740836 [0,1,1,0,0,0|2,0,0]=4 387 B22R2.8860 CNCCCOc1ccccc1CC(C)c2ccccc2 271570a_100000062452_100015186278 [0,1,1,0,0,0|1,0,0]=3 388 B22R2.8860 CNCCCOc1ccccc1SC(C)c2ccccc2 62a_100000230085_100015186278 [0,1,1,0,0,0|2,0,0]=4 389 B22R2.8860 CNCCCOc1ccccc1SC(C)c2ccccc2 62a_100015186278_100000230085 [0,1,1,0,0,0|2,0,0]=4 390 B22R2.16649 CCCCCNc1ccccc1SCc2ccc(cc2)C 34a_200015186568_100000718602 [0,1,1,0,0,0|2,0,0]=4 391 B22R2.16649 CCCCCNc1ccccc1SCc2ccc(cc2)C 7a_200015186568_100000210326 [0,1,1,0,0,0|2,0,0]=4 392 B22R2.16649 CCCCCNc1ccccc1SCc2ccc(cc2)F 2230a_100015187171_100000210326 [0,1,1,0,0,0|2,0,0]=4 393 B22R2.16649 CCCCCNc1ccccc1SCc2ccc(cc2)F 34a_100015187171_100000718602 [0,1,1,0,0,0|2,0,0]=4 394 B22R2.16649 CCCCCNc1ccccc1SCc2ccc(cc2)F 7a_100015187171_100000210326 [0,1,1,0,0,0|2,0,0]=4 395 B22R2.16649 CNCCCOc1ccccc1SCc2ccc(cc2)Br 62a_100000189115_100015186278 [0,1,1,0,0,0|2,0,0]=4 396 B22R2.16649 CNCCCOc1ccccc1SCc2ccc(cc2)Br 62a_100015186278_100000189115 [0,1,1,0,0,0|2,0,0]=4 397 B22R2.16649 CNCCCOc1ccccc1SCc2ccc(cc2)C 62a_100000210814_100015186278 [0,1,1,0,0,0|2,0,0]=4 398 B22R2.16649 CNCCCOc1ccccc1SCc2ccc(cc2)C 62a_100015186278_100000210814 [0,1,1,0,0,0|2,0,0]=4 399 B22R2.16649 CNCCCOc1ccccc1SCc2ccc(cc2)Cl 62a_100000187161_100015186278 [0,1,1,0,0,0|2,0,0]=4 400 B22R2.16649 CNCCCOc1ccccc1SCc2ccc(cc2)Cl 62a_100015186278_100000187161 [0,1,1,0,0,0|2,0,0]=4 401 B22R2.16649 CNCCCOc1ccccc1SCc2ccc(cc2)F 62a_100000198546_100015186278 [0,1,1,0,0,0|2,0,0]=4 402 B22R2.16649 CNCCCOc1ccccc1SCc2ccc(cc2)F 62a_100015186278_100000187164 [0,1,1,0,0,0|2,0,0]=4 403 B22R2.16649 CNCCCOc1ccccc1SCc2ccc(cc2)I 62a_100000189116_100015186278 [0,1,1,0,0,0|2,0,0]=4 404 B22R2.16649 CNCCCOc1ccccc1SCc2ccc(cc2)I 62a_100015186278_100000189116 [0,1,1,0,0,0|2,0,0]=4 405 B22R2.16649 COCCCNc1ccccc1SCc2ccc(cc2)C 34a_200015186568_100000740836 [0,1,1,0,0,0|2,0,0]=4 406 B22R2.16649 COCCCNc1ccccc1SCc2ccc(cc2)C 7a_200015186568_100000740836 [0,1,1,0,0,0|2,0,0]=4 407 B22R2.16649 COCCCNc1ccccc1SCc2ccc(cc2)Cl 2230a_100000299865_100000740836 [0,1,1,0,0,0|2,0,0]=4 408 B22R2.16649 COCCCNc1ccccc1SCc2ccc(cc2)Cl 34a_100000299865_100000740836 [0,1,1,0,0,0|2,0,0]=4 409 B22R2.16649 COCCCNc1ccccc1SCc2ccc(cc2)Cl 7a_100000299865_100000740836 [0,1,1,0,0,0|2,0,0]=4 410 B22R2.16649 COCCCNc1ccccc1SCc2ccc(cc2)F 2230a_100015187171_100000740836 [0,1,1,0,0,0|2,0,0]=4 411 B22R2.16649 COCCCNc1ccccc1SCc2ccc(cc2)F 34a_100015187171_100000740836 [0,1,1,0,0,0|2,0,0]=4 412 B22R2.16649 COCCCNc1ccccc1SCc2ccc(cc2)F 7a_100015187171_100000740836 [0,1,1,0,0,0|2,0,0]=4 413 B22R2.20529 CCCC(C)CNc1ccccc1CCc2ccccn2 34a_200000071813_100011216630 [0,1,1,0,0,0|2,0,0]=4 414 B22R2.20529 CCCC(C)CNc1ccccc1COc2ccccc2 2230a_100000742786_100011216630 [0,1,1,0,0,0|2,0,0]=4 415 B22R2.20529 CCCC(C)CNc1ccccc1COc2ccccc2 34a_100000742786_100011216630 [0,1,1,0,0,0|2,0,0]=4 416 B22R2.20529 CCCC(C)CNc1ccccc1COc2ccccc2 7a_100000742786_100011216630 [0,1,1,0,0,0|2,0,0]=4 417 B22R2.20529 CCCC(C)CNc1ccccc1OCc2ccccc2 34a_100011193923_100011216630 [0,1,1,0,0,0|2,0,0]=4 418 B22R2.20529 CCCC(C)CNc1ccccc1SCc2ccccc2 34a_100000198535_100011216630 [0,1,1,0,0,0|2,0,0]=4 419 B22R2.20529 CCCC(C)CNc1ccccc1SCc2ccccc2 7a_100000198535_100011216630 [0,1,1,0,0,0|2,0,0]=4 420 B22R2.20529 COCC(O)CNc1ccccc1CCc2ccccn2 34a_200000071813_100011215053 [0,1,1,0,0,0|2,0,0]=4 421 B22R2.20529 COCC(O)CNc1ccccc1COc2ccccc2 34a_100000742786_100011215053 [0,1,1,0,0,0|2,0,0]=4 422 B22R2.20529 COCC(O)CNc1ccccc1COc2ccccc2 7a_100000742786_100011215053 [0,1,1,0,0,0|2,0,0]=4 423 B22R2.20529 COCC(O)CNc1ccccc1OCc2ccccc2 34a_100011193923_100011215053 [0,1,1,0,0,0|2,0,0]=4 424 B22R2.20529 COCC(O)CNc1ccccc1SCc2ccccc2 34a_100000198535_100011215053 [0,1,1,0,0,0|2,0,0]=4 425 B22R2.20529 COCC(O)CNc1ccccc1SCc2ccccc2 7a_100000198535_100011215053 [0,1,1,0,0,0|2,0,0]=4 426 B22R2.25161 CNC(=O)CCNc1ccccc1CCc2ccccn2 34a_200000071813_100012179268 [0,1,1,0,0,0|1,0,1]=4 427 B22R2.25161 CNC(=O)CCNc1ccccc1COc2ccccc2 2230a_100000742786_100000737683 [0,1,1,0,0,0|1,0,1]=4 428 B22R2.25161 CNC(=O)CCNc1ccccc1COc2ccccc2 34a_100000742786_100012179268 [0,1,1,0,0,0|1,0,1]=4 429 B22R2.25161 CNC(=O)CCNc1ccccc1COc2ccccc2 7a_100000742786_100000737683 [0,1,1,0,0,0|1,0,1]=4 430 B22R2.25161 CNC(=O)CCNc1ccccc1OCc2ccccc2 34a_100011193923_100012179268 [0,1,1,0,0,0|1,0,1]=4 431 B22R2.25161 CNC(=O)CCNc1ccccc1SCc2ccccc2 34a_100000198535_100012179268 [0,1,1,0,0,0|1,0,1]=4 432 B22R2.25161 CNC(=O)CCNc1ccccc1SCc2ccccc2 7a_100000198535_100000737683 [0,1,1,0,0,0|1,0,1]=4 433 B22R2.26026 CCCCCNc1ccc(cc1OCc2ccccc2)C 2230a_100011220564_100000210326 [0,1,1,0,0,0|2,0,0]=4 434 B22R2.26026 CCCCCNc1ccc(cc1OCc2ccccc2)C 34a_100011220564_100000718602 [0,1,1,0,0,0|2,0,0]=4 435 B22R2.26026 CCCCCNc1ccc(cc1OCc2ccccc2)F 2230a_100011195462_100000210326 [0,1,1,0,0,0|2,0,0]=4 436 B22R2.26026 CCCCCNc1ccc(cc1OCc2ccccc2)F 34a_100011195462_100000718602 [0,1,1,0,0,0|2,0,0]=4 437 B22R2.26026 CCCCCNc1ccc(cc1OCc2ccccc2)F 7a_100011195462_100000210326 [0,1,1,0,0,0|2,0,0]=4 438 B22R2.26026 COCCCNc1ccc(cc1OCc2ccccc2)C 2230a_100011220564_100000740836 [0,1,1,0,0,0|2,0,0]=4 439 B22R2.26026 COCCCNc1ccc(cc1OCc2ccccc2)C 34a_100011220564_100000740836 [0,1,1,0,0,0|2,0,0]=4 440 B22R2.26026 COCCCNc1ccc(cc1OCc2ccccc2)F 2230a_100011195462_100000740836 [0,1,1,0,0,0|2,0,0]=4 441 B22R2.26026 COCCCNc1ccc(cc1OCc2ccccc2)F 34a_100011195462_100000740836 [0,1,1,0,0,0|2,0,0]=4 442 B22R2.26026 COCCCNc1ccc(cc1OCc2ccccc2)F 7a_100011195462_100000740836 [0,1,1,0,0,0|2,0,0]=4 443 B22R2.26331 CCCCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000210314 [0,1,1,0,0,0|2,0,0]=4 444 B22R2.26331 CCCCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100000210314 [0,1,1,0,0,0|2,0,0]=4 445 B22R2.26331 CCCCCCNc1ccccc1COc2ccccc2 34a_100000742786_100000210314 [0,1,1,0,0,0|2,0,0]=4 446 B22R2.26331 CCCCCCNc1ccccc1COc2ccccc2 7a_100000742786_100000210314 [0,1,1,0,0,0|2,0,0]=4 447 B22R2.26331 CCCCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000210314 [0,1,1,0,0,0|2,0,0]=4 448 B22R2.26331 CCCCCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000210314 [0,1,1,0,0,0|2,0,0]=4 449 B22R2.26331 CCCCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000210314 [0,1,1,0,0,0|2,0,0]=4 450 B22R2.26331 CCCCCNCc1ccccc1COc2ccccc2 34a_100000737599_100000718602 [0,1,1,0,0,0|2,0,0]=4 451 B22R2.26331 CCCCCNCc1ccccc1OCc2ccccc2 207a_100000209983_100000151772 [0,1,1,0,0,0|2,0,0]=4 452 B22R2.26331 CCCCCNCc1ccccc1OCc2ccccc2 270004a_100000209983_100000151772 [0,1,1,0,0,0|2,0,0]=4 453 B22R2.26331 CCCCCNCc1ccccc1OCc2ccccc2 34a_100000741334_100000718602 [0,1,1,0,0,0|2,0,0]=4 454 B22R2.26331 CCCCCOCc1ccccc1CCc2ccccc2 34a_200000042600_100000718602 [0,1,1,0,0,0|2,0,0]=4 455 B22R2.26331 CCCCCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000210326 [0,1,1,0,0,0|2,0,0]=4 456 B22R2.26331 CCCCOCNc1ccccc1CCc2ccccn2 34a_200000071813_100011995733 [0,1,1,0,0,0|2,0,0]=4 457 B22R2.26331 CCCCOCNc1ccccc1COc2ccccc2 2230a_100000742786_100011995733 [0,1,1,0,0,0|2,0,0]=4 458 B22R2.26331 CCCCOCNc1ccccc1COc2ccccc2 34a_100000742786_100011995733 [0,1,1,0,0,0|2,0,0]=4 459 B22R2.26331 CCCCOCNc1ccccc1OCc2ccccc2 34a_100011193923_100011995733 [0,1,1,0,0,0|2,0,0]=4 460 B22R2.26331 CCCCOCNc1ccccc1SCc2ccccc2 34a_100000198535_100011995733 [0,1,1,0,0,0|2,0,0]=4 461 B22R2.26331 CCCOCCNc1ccccc1CCc2ccccn2 34a_200000071813_100011215938 [0,1,1,0,0,0|2,0,0]=4 462 B22R2.26331 CCCOCCNc1ccccc1COc2ccccc2 2230a_100000742786_100011215938 [0,1,1,0,0,0|2,0,0]=4 463 B22R2.26331 CCCOCCNc1ccccc1COc2ccccc2 34a_100000742786_100011215938 [0,1,1,0,0,0|2,0,0]=4 464 B22R2.26331 CCCOCCNc1ccccc1COc2ccccc2 7a_100000742786_100011215938 [0,1,1,0,0,0|2,0,0]=4 465 B22R2.26331 CCCOCCNc1ccccc1OCc2ccccc2 34a_100011193923_100011215938 [0,1,1,0,0,0|2,0,0]=4 466 B22R2.26331 CCCOCCNc1ccccc1SCc2ccccc2 34a_100000198535_100011215938 [0,1,1,0,0,0|2,0,0]=4 467 B22R2.26331 CCCOCCNc1ccccc1SCc2ccccc2 7a_100000198535_100011215938 [0,1,1,0,0,0|2,0,0]=4 468 B22R2.26331 CCOCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100012232248 [0,1,1,0,0,0|2,0,0]=4 469 B22R2.26331 CCOCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100012232248 [0,1,1,0,0,0|2,0,0]=4 470 B22R2.26331 CCOCCCNc1ccccc1COc2ccccc2 34a_100000742786_100012232248 [0,1,1,0,0,0|2,0,0]=4 471 B22R2.26331 CCOCCCNc1ccccc1COc2ccccc2 7a_100000742786_100012232248 [0,1,1,0,0,0|2,0,0]=4 472 B22R2.26331 CCOCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100012232248 [0,1,1,0,0,0|2,0,0]=4 473 B22R2.26331 CCOCCCNc1ccccc1SCc2ccccc2 34a_100000198535_100012232248 [0,1,1,0,0,0|2,0,0]=4 474 B22R2.26331 CCOCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100012232248 [0,1,1,0,0,0|2,0,0]=4 475 B22R2.26331 COCCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000755781 [0,1,1,0,0,0|2,0,0]=4 476 B22R2.26331 COCCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100000730899 [0,1,1,0,0,0|2,0,0]=4 477 B22R2.26331 COCCCCNc1ccccc1COc2ccccc2 34a_100000742786_100000755781 [0,1,1,0,0,0|2,0,0]=4 478 B22R2.26331 COCCCCNc1ccccc1COc2ccccc2 7a_100000742786_100000730899 [0,1,1,0,0,0|2,0,0]=4 479 B22R2.26331 COCCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000755781 [0,1,1,0,0,0|2,0,0]=4 480 B22R2.26331 COCCCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000755781 [0,1,1,0,0,0|2,0,0]=4 481 B22R2.26331 COCCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000730899 [0,1,1,0,0,0|2,0,0]=4 482 B22R2.26331 COCCCNCc1ccccc1COc2ccccc2 34a_100000737599_100000740836 [0,1,1,0,0,0|2,0,0]=4 483 B22R2.26331 COCCCNCc1ccccc1OCc2ccccc2 207a_100150723488_100000151772 [0,1,1,0,0,0|2,0,0]=4 484 B22R2.26331 COCCCNCc1ccccc1OCc2ccccc2 270004a_100150723488_100000151772 [0,1,1,0,0,0|2,0,0]=4 485 B22R2.26331 COCCCNCc1ccccc1OCc2ccccc2 34a_100000741334_100000740836 [0,1,1,0,0,0|2,0,0]=4 486 B22R2.26331 COCCCOCc1ccccc1CCc2ccccc2 34a_200000042600_100000740836 [0,1,1,0,0,0|2,0,0]=4 487 B22R2.26331 COCCCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000740836 [0,1,1,0,0,0|2,0,0]=4 488 B22R2.26331 COCCOCNc1ccccc1COc2ccccc2 2230a_100000742786_100000231047 [0,1,1,0,0,0|2,0,0]=4 489 B22R2.26331 CSCCCNCc1ccccc1OCc2ccccc2 207a_100000749238_100000151772 [0,1,1,0,0,0|2,0,0]=4 490 B22R2.26331 CSCCCNCc1ccccc1OCc2ccccc2 270004a_100000749238_100000151772 [0,1,1,0,0,0|2,0,0]=4 491 B22R2.26331 FCCCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000729378 [0,1,1,0,0,0|2,0,0]=4 492 B22R2.26331 FCCCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100000729378 [0,1,1,0,0,0|2,0,0]=4 493 B22R2.26331 FCCCCCNc1ccccc1COc2ccccc2 34a_100000742786_100000729378 [0,1,1,0,0,0|2,0,0]=4 494 B22R2.26331 FCCCCCNc1ccccc1COc2ccccc2 7a_100000742786_100000729378 [0,1,1,0,0,0|2,0,0]=4 495 B22R2.26331 FCCCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000729378 [0,1,1,0,0,0|2,0,0]=4 496 B22R2.26331 FCCCCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000729378 [0,1,1,0,0,0|2,0,0]=4 497 B22R2.26331 FCCCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000729378 [0,1,1,0,0,0|2,0,0]=4 498 B22R2.26331 OCCCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000746330 [0,1,1,0,0,0|2,0,0]=4 499 B22R2.26331 OCCCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100000746330 [0,1,1,0,0,0|2,0,0]=4 500 B22R2.26331 OCCCCCNc1ccccc1COc2ccccc2 34a_100000742786_100000746330 [0,1,1,0,0,0|2,0,0]=4 501 B22R2.26331 OCCCCCNc1ccccc1COc2ccccc2 7a_100000742786_100000746330 [0,1,1,0,0,0|2,0,0]=4 502 B22R2.26331 OCCCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000746330 [0,1,1,0,0,0|2,0,0]=4 503 B22R2.26331 OCCCCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000746330 [0,1,1,0,0,0|2,0,0]=4 504 B22R2.26331 OCCCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000746330 [0,1,1,0,0,0|2,0,0]=4 505 B22R2.26914 CC(=O)CCCNc1ccccc1CCc2ccccn2 34a_200000071813_100000685027 [0,1,1,0,0,0|2,0,0]=4 506 B22R2.26914 CC(=O)CCCNc1ccccc1COc2ccccc2 34a_100000742786_100000685027 [0,1,1,0,0,0|2,0,0]=4 507 B22R2.26914 CC(=O)CCCNc1ccccc1COc2ccccc2 7a_100000742786_100011215641 [0,1,1,0,0,0|2,0,0]=4 508 B22R2.26914 CC(=O)CCCNc1ccccc1OCc2ccccc2 34a_100011193923_100000685027 [0,1,1,0,0,0|2,0,0]=4 509 B22R2.26914 CC(=O)CCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000685027 [0,1,1,0,0,0|2,0,0]=4 510 B22R2.26914 CC(=O)CCCNc1ccccc1SCc2ccccc2 7a_100000198535_100011215641 [0,1,1,0,0,0|2,0,0]=4 511 B22R2.26914 CC(C)CCCNc1ccccc1CCc2ccccn2 34a_200000071813_100011214892 [0,1,1,0,0,0|2,0,0]=4 512 B22R2.26914 CC(C)CCCNc1ccccc1COc2ccccc2 2230a_100000742786_100011214892 [0,1,1,0,0,0|2,0,0]=4 513 B22R2.26914 CC(C)CCCNc1ccccc1COc2ccccc2 34a_100000742786_100011214892 [0,1,1,0,0,0|2,0,0]=4 514 B22R2.26914 CC(C)CCCNc1ccccc1COc2ccccc2 7a_100000742786_100011214892 [0,1,1,0,0,0|2,0,0]=4 515 B22R2.26914 CC(C)CCCNc1ccccc1OCc2ccccc2 34a_100011193923_100011214892 [0,1,1,0,0,0|2,0,0]=4 516 B22R2.26914 CC(C)CCCNc1ccccc1SCc2ccccc2 34a_100000198535_100011214892 [0,1,1,0,0,0|2,0,0]=4 517 B22R2.26914 CC(C)CCCNc1ccccc1SCc2ccccc2 7a_100000198535_100011214892 [0,1,1,0,0,0|2,0,0]=4 518 B22R2.26914 CC(O)CCCNc1ccccc1CCc2ccccn2 34a_200000071813_200000718107 [0,1,1,0,0,0|2,0,0]=4 519 B22R2.26914 CC(O)CCCNc1ccccc1COc2ccccc2 2230a_100000742786_200000718107 [0,1,1,0,0,0|2,0,0]=4 520 B22R2.26914 CC(O)CCCNc1ccccc1COc2ccccc2 34a_100000742786_200000718107 [0,1,1,0,0,0|2,0,0]=4 521 B22R2.26914 CC(O)CCCNc1ccccc1COc2ccccc2 7a_100000742786_200000718107 [0,1,1,0,0,0|2,0,0]=4 522 B22R2.26914 CC(O)CCCNc1ccccc1OCc2ccccc2 34a_100011193923_200000718107 [0,1,1,0,0,0|2,0,0]=4 523 B22R2.26914 CC(O)CCCNc1ccccc1SCc2ccccc2 34a_100000198535_200000718107 [0,1,1,0,0,0|2,0,0]=4 524 B22R2.26914 CC(O)CCCNc1ccccc1SCc2ccccc2 7a_100000198535_200000718107 [0,1,1,0,0,0|2,0,0]=4 525 B22R2.26914 CN(C)CCCNc1ccccc1COc2ccccc2 7a_100000742786_100000757444 [0,1,1,0,0,0|1,0,0]=3 526 B22R2.26914 CN(C)CCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000757444 [0,1,1,0,0,0|1,0,0]=3 527 B22R2.26914 CN(C)CCCOc1ccccc1CNc2ccccc2 207a_100000106764_100015183612 [0,1,1,0,0,0|2,0,0]=4 528 B22R2.26914 CN(C)CCCOc1ccccc1CNc2ccccc2 270302a_100000106764_100015183612 [0,1,1,0,0,0|2,0,0]=4 529 B22R2.26914 CN(C)CCCOc1ccccc1OCc2ccccc2 7a_100000187230_100000757444 [0,1,1,0,0,0|2,0,0]=4 530 B22R2.26914 CN(C)CCCSc1ccccc1OCc2ccccc2 62a_100000151716_100000757444 [0,1,1,0,0,0|2,0,0]=4 531 B22R2.26914 CN(C)CCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000755713 [0,1,1,0,0,0|2,0,0]=4 532 B22R2.150303 CCCCC(C)Nc1ccccc1CCc2ccccn2 34a_200000071813_200011215066 [0,1,1,0,0,0|2,0,0]=4 533 B22R2.150303 CCCCC(C)Nc1ccccc1COc2ccccc2 2230a_100000742786_200011215066 [0,1,1,0,0,0|2,0,0]=4 534 B22R2.150303 CCCCC(C)Nc1ccccc1COc2ccccc2 34a_100000742786_200011215066 [0,1,1,0,0,0|2,0,0]=4 535 B22R2.150303 CCCCC(C)Nc1ccccc1COc2ccccc2 7a_100000742786_200011215066 [0,1,1,0,0,0|2,0,0]=4 536 B22R2.150303 CCCCC(C)Nc1ccccc1OCc2ccccc2 34a_100011193923_200011215066 [0,1,1,0,0,0|2,0,0]=4 537 B22R2.150303 CCCCC(C)Nc1ccccc1SCc2ccccc2 34a_100000198535_200011215066 [0,1,1,0,0,0|2,0,0]=4 538 B22R2.150303 CCCCC(C)Nc1ccccc1SCc2ccccc2 7a_100000198535_200011215066 [0,1,1,0,0,0|2,0,0]=4 539 B22R2.191292 CCCCCNc1ccccc1SCc2ccccc2F 34a_100015187786_100000718602 [0,1,1,0,0,0|2,0,0]=4 540 B22R2.191292 CCCCCNc1ccccc1SCc2ccccc2F 7a_100015187786_100000210326 [0,1,1,0,0,0|2,0,0]=4 541 B22R2.191292 CNCCCOc1ccccc1SCc2ccccc2Br 62a_100000184730_100015186278 [0,1,1,0,0,0|2,0,0]=4 542 B22R2.191292 CNCCCOc1ccccc1SCc2ccccc2Br 62a_100015186278_100000184730 [0,1,1,0,0,0|2,0,0]=4 543 B22R2.191292 CNCCCOc1ccccc1SCc2ccccc2C 62a_100000211839_100015186278 [0,1,1,0,0,0|2,0,0]=4 544 B22R2.191292 CNCCCOc1ccccc1SCc2ccccc2C 62a_100015186278_100000211839 [0,1,1,0,0,0|2,0,0]=4 545 B22R2.191292 CNCCCOc1ccccc1SCc2ccccc2Cl 62a_100000187162_100015186278 [0,1,1,0,0,0|2,0,0]=4 546 B22R2.191292 CNCCCOc1ccccc1SCc2ccccc2Cl 62a_100015186278_100000187162 [0,1,1,0,0,0|2,0,0]=4 547 B22R2.191292 CNCCCOc1ccccc1SCc2ccccc2F 62a_100000211605_100015186278 [0,1,1,0,0,0|2,0,0]=4 548 B22R2.191292 CNCCCOc1ccccc1SCc2ccccc2F 62a_100015186278_100000211605 [0,1,1,0,0,0|2,0,0]=4 549 B22R2.191292 CNCCCOc1ccccc1SCc2ccccc2I 62a_100011216222_100015186278 [0,1,1,0,0,0|2,0,0]=4 550 B22R2.191292 CNCCCOc1ccccc1SCc2ccccc2I 62a_100015186278_100011216222 [0,1,1,0,0,0|2,0,0]=4 551 B22R2.191292 COCCCNc1ccccc1SCc2ccccc2Cl 2230a_100015185902_100000740836 [0,1,1,0,0,0|2,0,0]=4 552 B22R2.191292 COCCCNc1ccccc1SCc2ccccc2Cl 34a_100015185902_100000740836 [0,1,1,0,0,0|2,0,0]=4 553 B22R2.191292 COCCCNc1ccccc1SCc2ccccc2Cl 7a_100015185902_100000740836 [0,1,1,0,0,0|2,0,0]=4 554 B22R2.191292 COCCCNc1ccccc1SCc2ccccc2F 34a_100015187786_100000740836 [0,1,1,0,0,0|2,0,0]=4 555 B22R2.191292 COCCCNc1ccccc1SCc2ccccc2F 7a_100015187786_100000740836 [0,1,1,0,0,0|2,0,0]=4 556 B22R2.559588 CCCCCNc1cccc(c1OCc2ccccc2)F 2230a_100013039107_100000210326 [0,1,1,0,0,0|2,0,0]=4 557 B22R2.559588 CCCCCNc1cccc(c1OCc2ccccc2)F 34a_100013039107_100000718602 [0,1,1,0,0,0|2,0,0]=4 558 B22R2.559588 COCCCNc1cccc(c1OCc2ccccc2)F 2230a_100013039107_100000740836 [0,1,1,0,0,0|2,0,0]=4 559 B22R2.559588 COCCCNc1cccc(c1OCc2ccccc2)F 34a_100013039107_100000740836 [0,1,1,0,0,0|2,0,0]=4 560 B22R2.34316 CCCCCN(c1ccccc1)c2cc(ncc2CC)C 27a_200000219563_100010291839 [0,1,1,0,0,0|2,0,0]=4 561 B22R3.12307660 CC(C)CNC1c2ccccc2CCc3c1cccc3 2230a_100000210953_100000031795 [1,1,0,0,0,0|2,0,0]=4 562 B22R3.12307660 CC(C)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210624 [1,1,0,0,0,0|2,0,0]=4 563 B22R3.12307660 CC(C)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210760 [1,1,0,0,0,0|2,0,0]=4 564 B22R3.12307660 CC(C)CSC1c2ccccc2CCc3c1cccc3 62a_100000210624_100000031795 [1,1,0,0,0,0|2,0,0]=4 565 B22R3.12307660 CC(O)CNC1c2ccccc2CCc3c1cccc3 2230a_100000210904_100000031795 [1,1,0,0,0,0|2,0,0]=4 566 B22R3.12307660 CC(O)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011218427 [1,1,0,0,0,0|2,0,0]=4 567 B22R3.12307660 CC(O)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011218427 [1,1,0,0,0,0|2,0,0]=4 568 B22R3.12307660 CC(O)CSC1c2ccccc2CCc3c1cccc3 62a_100011218427_100000031795 [1,1,0,0,0,0|2,0,0]=4 569 B22R3.12307660 C[C@@H](O)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100009817552 [1,1,0,0,0,0|2,0,0]=4 570 B22R3.12307660 C[C@@H](O)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100009817552 [1,1,0,0,0,0|2,0,0]=4 571 B22R3.12307660 C[C@@H](O)CSC1c2ccccc2CCc3c1cccc3 62a_100009817552_100000031795 [1,1,0,0,0,0|2,0,0]=4 572 B22R3.13446522 CCCN(C)C1c2ccccc2CCc3c1cccc3 2230a_100000747261_100000031795 [1,1,0,0,0,0|2,0,0]=4 573 B22R3.13446522 CCCN(C)C1c2ccccc2CCc3c1cccc3 269982a_100000747261_100000031795 [1,1,0,0,0,0|2,0,0]=4 574 B22R3.13446522 CNCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_106832991635_200000596418 [1,1,0,0,0,0|0,0,1]=3 575 B22R3.13446522 CNCC(=O)N1c2ccccc2CCc3c1cccc3 34a_100102657272_200000596418 [1,1,0,0,0,0|0,0,1]=3 576 B22R3.13446522 CNCC(=O)N1c2ccccc2CCc3c1cccc3 7a_106832991635_200000596418 [1,1,0,0,0,0|0,0,1]=3 577 B22R3.13446522 COCC(=O)N1c2ccccc2CCc3c1cccc3 34a_100138415774_200000596418 [1,1,0,0,0,0|1,0,1]=4 578 B22R3.13446522 CSCC(=O)N1c2ccccc2CCc3c1cccc3 62a_200000210301_200000596418 [1,1,0,0,0,0|1,0,1]=4 579 B22R3.13446522 [13CH3]SCC(=O)N1c2ccccc2CCc3c1cccc3 62a_200025704644_200000596418 [1,1,0,0,0,0|1,0,1]=4 580 B22R3.15879546 CCC(C)NC1c2ccccc2CCc3c1cccc3 2230a_100000209981_100000031795 [1,1,0,0,0,0|2,0,0]=4 581 B22R3.15879546 CCC(C)OC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011215416 [1,1,0,0,0,0|2,0,0]=4 582 B22R3.15879546 CCC(C)OC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000758301 [1,1,0,0,0,0|2,0,0]=4 583 B22R3.15879546 CCC(C)OC1c2ccccc2CCc3c1cccc3 7a_100000210228_100000031795 [1,1,0,0,0,0|2,0,0]=4 584 B22R3.15879546 CCC(C)SC1c2ccccc2CCc3c1cccc3 62a_100000758301_100000031795 [1,1,0,0,0,0|2,0,0]=4 585 B22R3.2033379 CNCCC(=O)N1c2ccccc2Sc3c1cccc3 2230a_106832991635_200015341630 [0,1,0,0,1,0|1,0,1]=4 586 B22R3.2033379 CNCCC(=O)N1c2ccccc2Sc3c1cccc3 7a_106832991635_200015341630 [0,1,0,0,1,0|1,0,1]=4 587 B22R3.15498781 CNC(=O)CCN1c2ccccc2Sc3c1cccc3 11a_106832991635_200000489519 [0,1,0,0,1,0|1,0,1]=4 588 B22R3.15498781 CNC(=O)CCN1c2ccccc2Sc3c1cccc3 240690a_100102657272_200000489519 [0,1,0,0,1,0|1,0,1]=4 589 B22R3.15498781 CNC(=O)CCN1c2ccccc2Sc3c1cccc3 527a_100102657272_200000489519 [0,1,0,0,1,0|1,0,1]=4 590 B24R3.50457414 CCCCC(C)NC1c2ccccc2CCc3c1cccc3 2230a_100000126638_100000031795 [0,2,0,0,0,0|2,0,0]=4 591 B24R3.50457414 CCCCC(C)OC1c2ccccc2CCc3c1cccc3 34a_100000025823_200011215066 [0,2,0,0,0,0|2,0,0]=4 592 B24R3.50457414 CCCCC(C)OC1c2ccccc2CCc3c1cccc3 7a_100000025823_200011215066 [0,2,0,0,0,0|2,0,0]=4 593 B24R3.50457414 CCCCC(C)OC1c2ccccc2CCc3c1cccc3 7a_100000687866_100000031795 [0,2,0,0,0,0|2,0,0]=4 594 B24R3.115675198 CC(CN(C)C)SC1c2ccccc2CCc3c1cccc3 62a_100020606517_100000031795 [0,2,0,0,0,0|2,0,0]=4 595 B24R3.32143881 CCCC(C)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011216630 [0,2,0,0,0,0|2,0,0]=4 596 B24R3.32143881 CCCC(C)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011216630 [0,2,0,0,0,0|2,0,0]=4 597 B24R3.32143881 CCCC(C)COC1c2ccccc2CCc3c1cccc3 7a_100000688023_100000031795 [0,2,0,0,0,0|2,0,0]=4 598 B24R3.32143881 COCC(O)CNC1c2ccccc2CCc3c1cccc3 2230a_100000756049_100000031795 [0,2,0,0,0,0|2,0,0]=4 599 B24R3.32143881 COCC(O)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011215053 [0,2,0,0,0,0|2,0,0]=4 600 B24R3.32143881 COCC(O)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011215053 [0,2,0,0,0,0|2,0,0]=4 601 B24R3.32143881 COCC(O)CSC1c2ccccc2CCc3c1cccc3 62a_100011215053_100000031795 [0,2,0,0,0,0|2,0,0]=4 602 B24R3.4169842 CCCCCN(C)C1c2ccccc2CCc3c1cccc3 2230a_100000223495_100000031795 [0,2,0,0,0,0|2,0,0]=4 603 B24R3.4169842 CCCCCN(C)C1c2ccccc2CCc3c1cccc3 269982a_100000223495_100000031795 [0,2,0,0,0,0|2,0,0]=4 604 B24R3.4169842 CCCOCC(=O)N1c2ccccc2CCc3c1cccc3 34a_100000210258_200000596418 [0,2,0,0,0,0|1,0,1]=4 605 B24R3.4169842 CCCSCC(=O)N1c2ccccc2CCc3c1cccc3 62a_100000210303_200000596418 [0,2,0,0,0,0|1,0,1]=4 606 B24R3.4169842 CCNCCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_100015525214_200020598663 [0,2,0,0,0,0|0,0,1]=3 607 B24R3.4169842 CCSCCC(=O)N1c2ccccc2CCc3c1cccc3 62a_100000210202_200020598663 [0,2,0,0,0,0|1,0,1]=4 608 B24R3.4169842 COCCCN(C)C1c2ccccc2CCc3c1cccc3 2230a_100000224831_100000031795 [0,2,0,0,0,0|2,0,0]=4 609 B24R3.4169842 COCCCN(C)C1c2ccccc2CCc3c1cccc3 269982a_100000224831_100000031795 [0,2,0,0,0,0|2,0,0]=4 610 B24R3.4169842 COCSCC(=O)N1c2ccccc2CCc3c1cccc3 62a_100000766300_200000596418 [0,2,0,0,0,0|1,0,1]=4 611 B24R3.4169842 CSCSCC(=O)N1c2ccccc2CCc3c1cccc3 62a_100011218213_200000596418 [0,2,0,0,0,0|1,0,1]=4 612 B24R3.4169842 O=C(CCSCF)N1c2ccccc2CCc3c1cccc3 62a_100015361967_200020598663 [0,2,0,0,0,0|1,0,1]=4 613 B24R3.28516359 CC(=O)CCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000685027 [0,2,0,0,0,0|2,0,0]=4 614 B24R3.28516359 CC(=O)CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011215641 [0,2,0,0,0,0|2,0,0]=4 615 B24R3.28516359 CC(=O)CCCOC1c2ccccc2CCc3c1cccc3 7a_100000759063_100000031795 [0,2,0,0,0,0|2,0,0]=4 616 B24R3.28516359 CC(=O)CCCSC1c2ccccc2CCc3c1cccc3 62a_100011215641_100000031795 [0,2,0,0,0,0|2,0,0]=4 617 B24R3.28516359 CC(=O)NCCNC1c2ccccc2CCc3c1cccc3 2230a_100000209853_100000031795 [0,2,0,0,0,0|2,0,0]=4 618 B24R3.28516359 CC(=O)NCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000189650 [0,2,0,0,0,0|2,0,0]=4 619 B24R3.28516359 CC(=O)NCCSC1c2ccccc2CCc3c1cccc3 62a_100000189650_100000031795 [0,2,0,0,0,0|2,0,0]=4 620 B24R3.28516359 CC(C)CCCNC1c2ccccc2CCc3c1cccc3 2230a_200000737386_100000031795 [0,2,0,0,0,0|2,0,0]=4 621 B24R3.28516359 CC(C)CCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011214892 [0,2,0,0,0,0|2,0,0]=4 622 B24R3.28516359 CC(C)CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011214892 [0,2,0,0,0,0|2,0,0]=4 623 B24R3.28516359 CC(C)CCCOC1c2ccccc2CCc3c1cccc3 7a_100000210774_100000031795 [0,2,0,0,0,0|2,0,0]=4 624 B24R3.28516359 CC(O)CCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_200000718107 [0,2,0,0,0,0|2,0,0]=4 625 B24R3.28516359 CC(O)CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_200000718107 [0,2,0,0,0,0|2,0,0]=4 626 B24R3.28516359 CC(O)CCCSC1c2ccccc2CCc3c1cccc3 62a_200000718107_100000031795 [0,2,0,0,0,0|2,0,0]=4 627 B24R3.28516359 CN(C)CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000757444 [0,2,0,0,0,0|1,0,0]=3 628 B24R3.28516359 CN(C)CCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000757444 [0,2,0,0,0,0|2,0,0]=4 629 B24R3.28516359 CS(=O)CCCNC1c2ccccc2CCc3c1cccc3 2230a_200000753449_100000031795 [0,2,0,0,0,0|2,0,0]=4 630 B24R3.40764905 CCC(C)CCNC1c2ccccc2CCc3c1cccc3 2230a_100020591266_100000031795 [0,2,0,0,0,0|2,0,0]=4 631 B24R3.40764905 CCC(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100011215188_100000031795 [0,2,0,0,0,0|2,0,0]=4 632 B24R3.40764905 CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100000210202 [0,2,0,0,0,0|1,0,1]=4 633 B24R3.40764905 CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100000204670 [0,2,0,0,0,0|1,0,1]=4 634 B24R3.40764905 CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100000210202 [0,2,0,0,0,0|1,0,1]=4 635 B24R3.40764905 CN(CF)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100015361967 [0,2,0,0,0,0|1,0,1]=4 636 B24R3.40764905 CN(CF)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100015361967 [0,2,0,0,0,0|1,0,1]=4 637 B24R3.40764905 CNC(=O)CCNC1c2ccccc2CCc3c1cccc3 2230a_100000738227_100000031795 [0,2,0,0,0,0|1,0,1]=4 638 B24R3.40764905 CNC(=O)CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100012179268 [0,2,0,0,0,0|1,0,1]=4 639 B24R3.40764905 CNC(=O)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000737683 [0,2,0,0,0,0|1,0,1]=4 640 B24R3.40764905 CNC(=O)CCSC1c2ccccc2CCc3c1cccc3 62a_100000737683_100000031795 [0,2,0,0,0,0|1,0,1]=4 641 B24R3.40764905 COC(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000764861_100000031795 [0,2,0,0,0,0|2,0,0]=4 642 B24R3.49312270 BrCCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000746331_100000031795 [0,2,0,0,0,0|2,0,0]=4 643 B24R3.49312270 CCCCCCNC1c2ccccc2CCc3c1cccc3 2230a_100000210581_100000031795 [0,2,0,0,0,0|2,0,0]=4 644 B24R3.49312270 CCCCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210314 [0,2,0,0,0,0|2,0,0]=4 645 B24R3.49312270 CCCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210314 [0,2,0,0,0,0|2,0,0]=4 646 B24R3.49312270 CCCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000210259_100000031795 [0,2,0,0,0,0|2,0,0]=4 647 B24R3.49312270 CCCCCNN=C1c2ccccc2CCc3c1cccc3 4a_100000694160_100000061076 [0,2,0,0,0,0|2,0,0]=4 648 B24R3.49312270 CCCCOCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011995733 [0,2,0,0,0,0|2,0,0]=4 649 B24R3.49312270 CCCCOCSC1c2ccccc2CCc3c1cccc3 62a_100011995733_100000031795 [0,2,0,0,0,0|2,0,0]=4 650 B24R3.49312270 CCCOCCNC1c2ccccc2CCc3c1cccc3 2230a_100161115042_100000031795 [0,2,0,0,0,0|2,0,0]=4 651 B24R3.49312270 CCCOCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011215938 [0,2,0,0,0,0|2,0,0]=4 652 B24R3.49312270 CCCOCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011215938 [0,2,0,0,0,0|2,0,0]=4 653 B24R3.49312270 CCCOCCOC1c2ccccc2CCc3c1cccc3 7a_100000752267_100000031795 [0,2,0,0,0,0|2,0,0]=4 654 B24R3.49312270 CCCOCCSC1c2ccccc2CCc3c1cccc3 62a_100011215938_100000031795 [0,2,0,0,0,0|2,0,0]=4 655 B24R3.49312270 CCCSCCNC1c2ccccc2CCc3c1cccc3 2230a_100020603323_100000031795 [0,2,0,0,0,0|2,0,0]=4 656 B24R3.49312270 CCCSCCOC1c2ccccc2CCc3c1cccc3 7a_200000230433_100000031795 [0,2,0,0,0,0|2,0,0]=4 657 B24R3.49312270 CCOCCCNC1c2ccccc2CCc3c1cccc3 2230a_100000210961_100000031795 [0,2,0,0,0,0|2,0,0]=4 658 B24R3.49312270 CCOCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100012232248 [0,2,0,0,0,0|2,0,0]=4 659 B24R3.49312270 CCOCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100012232248 [0,2,0,0,0,0|2,0,0]=4 660 B24R3.49312270 CCOCCCOC1c2ccccc2CCc3c1cccc3 7a_100000757476_100000031795 [0,2,0,0,0,0|2,0,0]=4 661 B24R3.49312270 CCOCCCSC1c2ccccc2CCc3c1cccc3 62a_100012232248_100000031795 [0,2,0,0,0,0|2,0,0]=4 662 B24R3.49312270 CCSCCCOC1c2ccccc2CCc3c1cccc3 7a_100011216438_100000031795 [0,2,0,0,0,0|2,0,0]=4 663 B24R3.49312270 COCCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000755781 [0,2,0,0,0,0|2,0,0]=4 664 B24R3.49312270 COCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000730899 [0,2,0,0,0,0|2,0,0]=4 665 B24R3.49312270 COCCCCSC1c2ccccc2CCc3c1cccc3 62a_100000730899_100000031795 [0,2,0,0,0,0|2,0,0]=4 666 B24R3.49312270 COCCOCSC1c2ccccc2CCc3c1cccc3 62a_100000231047_100000031795 [0,2,0,0,0,0|2,0,0]=4 667 B24R3.49312270 CSCCCCOC1c2ccccc2CCc3c1cccc3 7a_100011217163_100000031795 [0,2,0,0,0,0|2,0,0]=4 668 B24R3.49312270 ClCCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000746330_100000031795 [0,2,0,0,0,0|2,0,0]=4 669 B24R3.49312270 FCCCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000729378 [0,2,0,0,0,0|2,0,0]=4 670 B24R3.49312270 FCCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000729378 [0,2,0,0,0,0|2,0,0]=4 671 B24R3.49312270 FCCCCCSC1c2ccccc2CCc3c1cccc3 62a_100000729378_100000031795 [0,2,0,0,0,0|2,0,0]=4 672 B24R3.49312270 ICCCCCOC1c2ccccc2CCc3c1cccc3 7a_200012148887_100000031795 [0,2,0,0,0,0|2,0,0]=4 673 B24R3.49312270 OCCCCCNC1c2ccccc2CCc3c1cccc3 2230a_100000762737_100000031795 [0,2,0,0,0,0|2,0,0]=4 674 B24R3.49312270 OCCCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000746330 [0,2,0,0,0,0|2,0,0]=4 675 B24R3.49312270 OCCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000746330 [0,2,0,0,0,0|2,0,0]=4 676 B24R3.49312270 OCCCCCSC1c2ccccc2CCc3c1cccc3 62a_100000746330_100000031795 [0,2,0,0,0,0|2,0,0]=4 677 B24R3.65582311 CC(=O)CCC(=O)N1c2ccccc2CCc3c1cccc3 1458a_100000070787_200020598663 [0,2,0,0,0,0|1,0,1]=4 678 B24R3.65582311 CN(C)CCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_100102631434_200020598663 [0,2,0,0,0,0|0,0,1]=3 679 B24R3.65582311 CN(C)CCC(=O)N1c2ccccc2CCc3c1cccc3 269982a_100102631434_200020598663 [0,2,0,0,0,0|0,0,1]=3 680 B24R3.65582311 CN(C)CCN(C)C1c2ccccc2CCc3c1cccc3 269982a_100000225618_100000031795 [0,2,0,0,0,0|2,0,0]=4 681 B22R3.3704 c1ccc(cc1)CNc2ccccc2N3CCCCC3 207a_100000182099_100015611070 [0,0,1,1,0,0|2,0,0]=4 682 B22R3.3704 c1ccc(cc1)CNc2ccccc2N3CCCCC3 270302a_100000182099_100015611070 [0,0,1,1,0,0|2,0,0]=4 683 B22R3.3704 c1ccc(cc1)CNc2ccccc2N3CCCCC3 34a_100000182099_100015291786 [0,0,1,1,0,0|2,0,0]=4 684 B22R3.3704 c1ccc(cc1)COc2ccccc2N3CCCCC3 34a_100159270395_100015291786 [0,0,1,1,0,0|2,0,0]=4 685 B22R3.3704 c1ccc(cc1)COc2ccccc2N3CCCCC3 7a_100159270395_100000211182 [0,0,1,1,0,0|2,0,0]=4 686 B22R3.3704 c1ccc(cc1)CSc2ccccc2N3CCCCC3 62a_100000211182_100159312943 [0,0,1,1,0,0|2,0,0]=4 687 B22R3.3704 c1ccc(cc1)CSc2ccccc2N3CCCCC3 62a_100159312943_100015291786 [0,0,1,1,0,0|2,0,0]=4 688 B22R3.3704 c1ccc(cc1)NCc2ccccc2N3CCCCC3 207a_100000106764_100102697780 [0,0,1,1,0,0|2,0,0]=4 689 B22R3.3704 c1ccc(cc1)NCc2ccccc2N3CCCCC3 270302a_100000106764_100102697780 [0,0,1,1,0,0|2,0,0]=4 690 B22R3.74181 c1ccc(cc1)COc2ccccc2NCCC3CC3 34a_100011193923_100000694398 [0,0,1,1,0,0|2,0,0]=4 691 B22R3.74181 c1ccc(cc1)COc2ccccc2NCCC3CO3 34a_100011193923_100000732470 [0,0,1,1,0,0|2,0,0]=4 692 B22R3.74181 c1ccc(cc1)CSc2ccccc2NCCC3CC3 34a_100000198535_100000694398 [0,0,1,1,0,0|2,0,0]=4 693 B22R3.74181 c1ccc(cc1)CSc2ccccc2NCCC3CC3 7a_100000198535_100000764125 [0,0,1,1,0,0|2,0,0]=4 694 B22R3.74181 c1ccc(cc1)CSc2ccccc2NCCC3CO3 34a_100000198535_100000732470 [0,0,1,1,0,0|2,0,0]=4 695 B22R3.74181 c1ccc(cc1)CSc2ccccc2NCCC3CO3 7a_100000198535_100000732470 [0,0,1,1,0,0|2,0,0]=4 696 B22R3.74181 c1ccc(cc1)OCc2ccccc2NCCC3CC3 2230a_100000742786_100000694398 [0,0,1,1,0,0|2,0,0]=4 697 B22R3.74181 c1ccc(cc1)OCc2ccccc2NCCC3CC3 34a_100000742786_100000694398 [0,0,1,1,0,0|2,0,0]=4 698 B22R3.74181 c1ccc(cc1)OCc2ccccc2NCCC3CC3 7a_100000742786_100000764125 [0,0,1,1,0,0|2,0,0]=4 699 B22R3.74181 c1ccc(cc1)OCc2ccccc2NCCC3CO3 2230a_100000742786_100000732470 [0,0,1,1,0,0|2,0,0]=4 700 B22R3.74181 c1ccc(cc1)OCc2ccccc2NCCC3CO3 34a_100000742786_100000732470 [0,0,1,1,0,0|2,0,0]=4 701 B22R3.74181 c1ccc(cc1)OCc2ccccc2NCCC3CO3 7a_100000742786_100000732470 [0,0,1,1,0,0|2,0,0]=4 702 B22R3.74181 c1ccc(nc1)CCc2ccccc2NCCC3CC3 34a_200000071813_100000694398 [0,0,1,1,0,0|2,0,0]=4 703 B22R3.74181 c1ccc(nc1)CCc2ccccc2NCCC3CO3 34a_200000071813_100000732470 [0,0,1,1,0,0|2,0,0]=4 704 B22R3.74185 c1ccc(cc1)COc2ccccc2NC3CCCC3 34a_100011193923_100000179811 [0,0,1,1,0,0|2,0,0]=4 705 B22R3.74185 c1ccc(cc1)COc2ccccc2NC3CCOC3 34a_100011193923_100000690089 [0,0,1,1,0,0|2,0,0]=4 706 B22R3.74185 c1ccc(cc1)CSc2ccccc2NC3CCCC3 34a_100000198535_100000179811 [0,0,1,1,0,0|2,0,0]=4 707 B22R3.74185 c1ccc(cc1)CSc2ccccc2NC3CCCC3 7a_100000198535_100000179811 [0,0,1,1,0,0|2,0,0]=4 708 B22R3.74185 c1ccc(cc1)CSc2ccccc2NC3CCOC3 34a_100000198535_100000690089 [0,0,1,1,0,0|2,0,0]=4 709 B22R3.74185 c1ccc(cc1)CSc2ccccc2NC3CCOC3 7a_100000198535_100000731011 [0,0,1,1,0,0|2,0,0]=4 710 B22R3.74185 c1ccc(cc1)OCc2ccccc2NC3CCCC3 2230a_100000742786_100000179811 [0,0,1,1,0,0|2,0,0]=4 711 B22R3.74185 c1ccc(cc1)OCc2ccccc2NC3CCCC3 34a_100000742786_100000179811 [0,0,1,1,0,0|2,0,0]=4 712 B22R3.74185 c1ccc(cc1)OCc2ccccc2NC3CCCC3 7a_100000742786_100000179811 [0,0,1,1,0,0|2,0,0]=4 713 B22R3.74185 c1ccc(cc1)OCc2ccccc2NC3CCOC3 2230a_100000742786_100000731011 [0,0,1,1,0,0|2,0,0]=4 714 B22R3.74185 c1ccc(cc1)OCc2ccccc2NC3CCOC3 34a_100000742786_100000690089 [0,0,1,1,0,0|2,0,0]=4 715 B22R3.74185 c1ccc(cc1)OCc2ccccc2NC3CCOC3 7a_100000742786_100000731011 [0,0,1,1,0,0|2,0,0]=4 716 B22R3.74185 c1ccc(nc1)CCc2ccccc2NC3CCCC3 34a_200000071813_100000179811 [0,0,1,1,0,0|2,0,0]=4 717 B22R3.74185 c1ccc(nc1)CCc2ccccc2NC3CCOC3 34a_200000071813_100000690089 [0,0,1,1,0,0|2,0,0]=4 718 B22R3.3018052 c1ccc(cc1)COc2ccccc2NCC3CCC3 34a_100011193923_100000763275 [0,0,1,1,0,0|2,0,0]=4 719 B22R3.3018052 c1ccc(cc1)COc2ccccc2NCC3COC3 34a_100011193923_100010264016 [0,0,1,1,0,0|2,0,0]=4 720 B22R3.3018052 c1ccc(cc1)CSc2ccccc2NCC3CCC3 34a_100000198535_100000763275 [0,0,1,1,0,0|2,0,0]=4 721 B22R3.3018052 c1ccc(cc1)CSc2ccccc2NCC3CCC3 7a_100000198535_100000763275 [0,0,1,1,0,0|2,0,0]=4 722 B22R3.3018052 c1ccc(cc1)CSc2ccccc2NCC3COC3 34a_100000198535_100010264016 [0,0,1,1,0,0|2,0,0]=4 723 B22R3.3018052 c1ccc(cc1)CSc2ccccc2NCC3COC3 7a_100000198535_100010264016 [0,0,1,1,0,0|2,0,0]=4 724 B22R3.3018052 c1ccc(cc1)OCc2ccccc2NCC3CCC3 2230a_100000742786_100000763275 [0,0,1,1,0,0|2,0,0]=4 725 B22R3.3018052 c1ccc(cc1)OCc2ccccc2NCC3CCC3 34a_100000742786_100000763275 [0,0,1,1,0,0|2,0,0]=4 726 B22R3.3018052 c1ccc(cc1)OCc2ccccc2NCC3CCC3 7a_100000742786_100000763275 [0,0,1,1,0,0|2,0,0]=4 727 B22R3.3018052 c1ccc(cc1)OCc2ccccc2NCC3COC3 2230a_100000742786_100010264016 [0,0,1,1,0,0|2,0,0]=4 728 B22R3.3018052 c1ccc(cc1)OCc2ccccc2NCC3COC3 34a_100000742786_100010264016 [0,0,1,1,0,0|2,0,0]=4 729 B22R3.3018052 c1ccc(cc1)OCc2ccccc2NCC3COC3 7a_100000742786_100010264016 [0,0,1,1,0,0|2,0,0]=4 730 B22R3.3018052 c1ccc(nc1)CCc2ccccc2NCC3CCC3 34a_200000071813_100000763275 [0,0,1,1,0,0|2,0,0]=4 731 B22R3.3018052 c1ccc(nc1)CCc2ccccc2NCC3COC3 34a_200000071813_100010264016 [0,0,1,1,0,0|2,0,0]=4 732 B22R4.1481292 c1ccc2c(c1)CCc3ccccc3C2OC4CC4 34a_100000025823_100000211595 [1,0,0,1,0,0|2,0,0]=4 733 B22R4.1481293 c1ccc2c(c1)CCc3ccccc3C2N4CCC4 269982a_100000754969_100000031795 [1,0,0,1,0,0|2,0,0]=4 734 B24R4.6571617 c1ccc2c(c1)CCc3ccccc3C2NC4CCCC4 2230a_100000211070_100000031795 [0,1,0,1,0,0|2,0,0]=4 735 B24R4.6571617 c1ccc2c(c1)CCc3ccccc3C2N[C@@H]4CCOC4 2230a_200015188469_100000031795 [0,1,0,1,0,0|2,0,0]=4 736 B24R4.6571617 c1ccc2c(c1)CCc3ccccc3C2N[C@H]4CCOC4 2230a_100015188467_100000031795 [0,1,0,1,0,0|2,0,0]=4 737 B24R4.6571617 c1ccc2c(c1)CCc3ccccc3C2OC4CCCC4 34a_100000025823_100000179811 [0,1,0,1,0,0|2,0,0]=4 738 B24R4.6571617 c1ccc2c(c1)CCc3ccccc3C2OC4CCCC4 7a_100000025823_100000179811 [0,1,0,1,0,0|2,0,0]=4 739 B24R4.6571617 c1ccc2c(c1)CCc3ccccc3C2OC4CCCC4 7a_100000210269_100000031795 [0,1,0,1,0,0|2,0,0]=4 740 B24R4.6571617 c1ccc2c(c1)CCc3ccccc3C2OC4CCOC4 34a_100000025823_100000690089 [0,1,0,1,0,0|2,0,0]=4 741 B24R4.6571617 c1ccc2c(c1)CCc3ccccc3C2OC4CCOC4 7a_100000025823_100000731011 [0,1,0,1,0,0|2,0,0]=4 742 B24R4.6571617 c1ccc2c(c1)CCc3ccccc3C2OC4CCSC4 7a_100011232664_100000031795 [0,1,0,1,0,0|2,0,0]=4 743 B24R4.6571617 c1ccc2c(c1)CCc3ccccc3C2SC4CCCC4 62a_100011217020_100000031795 [0,1,0,1,0,0|2,0,0]=4 744 B24R4.17399619 C[C@@H]1CCCN1C2c3ccccc3CCc4c2cccc4 2230a_100015189458_100000031795 [0,1,0,1,0,0|2,0,0]=4 745 B24R4.17399619 C[C@@H]1CCCN1C2c3ccccc3CCc4c2cccc4 269982a_100015189458_100000031795 [0,1,0,1,0,0|2,0,0]=4 746 B24R4.17399619 C[C@H]1CCCN1C2c3ccccc3CCc4c2cccc4 2230a_100020605311_100000031795 [0,1,0,1,0,0|2,0,0]=4 747 B24R4.17399619 C[C@H]1CCCN1C2c3ccccc3CCc4c2cccc4 269982a_100020605311_100000031795 [0,1,0,1,0,0|2,0,0]=4 748 B24R4.7210013 c1ccc2c(c1)CCc3ccccc3C2NCC4CCC4 2230a_100000738700_100000031795 [0,1,0,1,0,0|2,0,0]=4 749 B24R4.7210013 c1ccc2c(c1)CCc3ccccc3C2NCC4COC4 2230a_100015281925_100000031795 [0,1,0,1,0,0|2,0,0]=4 750 B24R4.7210013 c1ccc2c(c1)CCc3ccccc3C2OCC4CCC4 34a_100000025823_100000763275 [0,1,0,1,0,0|2,0,0]=4 751 B24R4.7210013 c1ccc2c(c1)CCc3ccccc3C2OCC4CCC4 7a_100000025823_100000763275 [0,1,0,1,0,0|2,0,0]=4 752 B24R4.7210013 c1ccc2c(c1)CCc3ccccc3C2OCC4COC4 34a_100000025823_100010264016 [0,1,0,1,0,0|2,0,0]=4 753 B24R4.7210013 c1ccc2c(c1)CCc3ccccc3C2OCC4COC4 7a_100000025823_100010264016 [0,1,0,1,0,0|2,0,0]=4 754 B24R4.7210013 c1ccc2c(c1)CCc3ccccc3C2SCC4CCC4 62a_100000763275_100000031795 [0,1,0,1,0,0|2,0,0]=4 755 B24R4.7210013 c1ccc2c(c1)CCc3ccccc3C2SCC4COC4 62a_100010264016_100000031795 [0,1,0,1,0,0|2,0,0]=4 756 B24R4.36422563 CC1CC1COC2c3ccccc3CCc4c2cccc4 7a_100000744939_100000031795 [0,1,0,1,0,0|2,0,0]=4 757 B24R4.6573729 c1ccc2c(c1)CCc3ccccc3C2N4CCCOC4 2230a_100000131196_100000031795 [0,1,0,1,0,0|2,0,0]=4 758 B24R4.6573729 c1ccc2c(c1)CCc3ccccc3C2N4CCCOC4 269982a_100000131196_100000031795 [0,1,0,1,0,0|2,0,0]=4 759 B24R4.7210012 c1ccc2c(c1)CCc3ccccc3C2OCCC4CC4 34a_100000025823_100000694398 [0,1,0,1,0,0|2,0,0]=4 760 B24R4.7210012 c1ccc2c(c1)CCc3ccccc3C2OCCC4CC4 7a_100000025823_100000764125 [0,1,0,1,0,0|2,0,0]=4 761 B24R4.7210012 c1ccc2c(c1)CCc3ccccc3C2OCCC4CC4 7a_100000754188_100000031795 [0,1,0,1,0,0|2,0,0]=4 762 B24R4.7210012 c1ccc2c(c1)CCc3ccccc3C2OCCC4CO4 34a_100000025823_100000732470 [0,1,0,1,0,0|2,0,0]=4 763 B24R4.7210012 c1ccc2c(c1)CCc3ccccc3C2OCCC4CO4 7a_100000025823_100000732470 [0,1,0,1,0,0|2,0,0]=4 764 B24R4.7210012 c1ccc2c(c1)CCc3ccccc3C2SCCC4CC4 62a_100000764125_100000031795 [0,1,0,1,0,0|2,0,0]=4 765 B24R4.7210012 c1ccc2c(c1)CCc3ccccc3C2SCCC4CO4 62a_100000732470_100000031795 [0,1,0,1,0,0|2,0,0]=4 766 B20R2.16905 C#CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000731252 [0,0,1,0,1,0|1,0,1]=4 767 B20R2.16905 C#CCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000695029 [0,0,1,0,1,0|1,0,1]=4 768 B20R2.16905 C#CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100011215417 [0,0,1,0,1,0|1,0,1]=4 769 B20R2.16905 C=CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100011713584 [0,0,1,0,1,0|1,0,1]=4 770 B20R2.16905 C=CCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000757094 [0,0,1,0,1,0|1,0,1]=4 771 B20R2.16905 C=CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000757094 [0,0,1,0,1,0|1,0,1]=4 772 B20R2.16905 CCCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000210326 [0,0,1,0,1,0|1,0,0]=3 773 B20R2.16905 CCCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000718602 [0,0,1,0,1,0|1,0,0]=3 774 B20R2.16905 CCCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000210326 [0,0,1,0,1,0|1,0,0]=3 775 B20R2.16905 CCCCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000210326 [0,0,1,0,1,0|2,0,0]=4 776 B20R2.16905 CCCCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000718602 [0,0,1,0,1,0|2,0,0]=4 777 B20R2.16905 CCCCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000210326 [0,0,1,0,1,0|2,0,0]=4 778 B20R2.16905 CCCCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000718602 [0,0,1,0,1,0|2,0,0]=4 779 B20R2.16905 CCCCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000210326 [0,0,1,0,1,0|2,0,0]=4 780 B20R2.16905 CCCCCSc1ccccc1Cc2ccccc2 62a_100000210326_200011216382 [0,0,1,0,1,0|2,0,0]=4 781 B20R2.16905 CCCCCSc1ccccc1Cc2ccccc2 62a_200011216382_100000210326 [0,0,1,0,1,0|2,0,0]=4 782 B20R2.16905 CCOCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100011215890 [0,0,1,0,1,0|2,0,0]=4 783 B20R2.16905 CCOCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000210147 [0,0,1,0,1,0|2,0,0]=4 784 B20R2.16905 CCOCCNc1ccccc1Cc2ccccc2 7a_100000211252_100011215890 [0,0,1,0,1,0|2,0,0]=4 785 B20R2.16905 CCSCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000757381 [0,0,1,0,1,0|2,0,0]=4 786 B20R2.16905 CCSCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000757381 [0,0,1,0,1,0|2,0,0]=4 787 B20R2.16905 CCSCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000757381 [0,0,1,0,1,0|2,0,0]=4 788 B20R2.16905 CNCCCOc1ccccc1Sc2ccccc2 62a_100000719477_100015186278 [0,0,1,0,1,0|2,0,0]=4 789 B20R2.16905 CNCCCOc1ccccc1Sc2ccccc2 62a_100015186278_100000041952 [0,0,1,0,1,0|2,0,0]=4 790 B20R2.16905 COCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000740836 [0,0,1,0,1,0|1,0,0]=3 791 B20R2.16905 COCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000740836 [0,0,1,0,1,0|1,0,0]=3 792 B20R2.16905 COCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000740836 [0,0,1,0,1,0|1,0,0]=3 793 B20R2.16905 COCCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000740836 [0,0,1,0,1,0|2,0,0]=4 794 B20R2.16905 COCCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000740836 [0,0,1,0,1,0|2,0,0]=4 795 B20R2.16905 COCCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000740836 [0,0,1,0,1,0|2,0,0]=4 796 B20R2.16905 COCCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000740836 [0,0,1,0,1,0|2,0,0]=4 797 B20R2.16905 COCCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000740836 [0,0,1,0,1,0|2,0,0]=4 798 B20R2.16905 COCCCSc1ccccc1Cc2ccccc2 62a_100000709357_200011216382 [0,0,1,0,1,0|2,0,0]=4 799 B20R2.16905 COCCCSc1ccccc1Cc2ccccc2 62a_200011216382_100000709357 [0,0,1,0,1,0|2,0,0]=4 800 B20R2.16905 FCCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000729493 [0,0,1,0,1,0|2,0,0]=4 801 B20R2.16905 FCCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000729493 [0,0,1,0,1,0|2,0,0]=4 802 B20R2.16905 FCCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000729493 [0,0,1,0,1,0|2,0,0]=4 803 B20R2.16905 N#CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000687738 [0,0,1,0,1,0|2,0,0]=4 804 B20R2.16905 N#CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000687738 [0,0,1,0,1,0|2,0,0]=4 805 B20R2.16905 O=CCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_200011292268 [0,0,1,0,1,0|2,0,0]=4 806 B20R2.16905 O=CCCCNc1ccccc1Cc2ccccc2 7a_100000211252_200011292268 [0,0,1,0,1,0|2,0,0]=4 807 B20R2.16905 OCCCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000210776 [0,0,1,0,1,0|2,0,0]=4 808 B20R2.16905 OCCCCNc1ccccc1Cc2ccccc2 34a_100000211252_100011216708 [0,0,1,0,1,0|2,0,0]=4 809 B20R2.16905 OCCCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000210776 [0,0,1,0,1,0|2,0,0]=4 810 B20R3.368533 CCCCc1c2ccccc2cc3c1cccc3 271570a_100020621405_100000185772 [1,0,0,0,1,0|1,0,1]=4 811 B20R3.368533 CCCCc1c2ccccc2nc3c1cccc3 271570a_100020621405_100000044299 [1,0,0,0,1,0|2,0,0]=4 812 B20R3.2040304 CCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000210202 [0,0,0,0,2,0|2,0,0]=4 813 B22R2.8833 CCCCCNc1ccccc1OCCc2ccccn2 34a_200015185306_100000718602 [0,0,1,0,0,1|2,0,0]=4 814 B22R2.8833 CCCCCOc1ccccc1CNCc2ccccc2 34a_100011219060_100000718602 [0,0,1,0,0,1|2,0,0]=4 815 B22R2.8833 CCCCCSc1ccccc1CNCc2ccccc2 62a_100000210326_200000195884 [0,0,1,0,0,1|2,0,0]=4 816 B22R2.8833 CCCCCSc1ccccc1CNCc2ccccc2 62a_200000195884_100000210326 [0,0,1,0,0,1|2,0,0]=4 817 B22R2.8833 CNCCCOc1ccccc1C=CCc2ccccc2 271570a_200016263579_100015186278 [0,0,1,0,0,1|1,0,1]=4 818 B22R2.8833 CNCCCOc1ccccc1SCCc2ccccc2 62a_100000765856_100015186278 [0,0,1,0,0,1|1,0,0]=3 819 B22R2.8833 CNCCCOc1ccccc1SCCc2ccccc2 62a_100015186278_100011218657 [0,0,1,0,0,1|1,0,0]=3 820 B22R2.8833 CNCCCOc1ccccc1SCCc2ccccn2 62a_100015183660_100015186278 [0,0,1,0,0,1|2,0,0]=4 821 B22R2.8833 CNCCCOc1ccccc1SCCc2ccccn2 62a_100015186278_100015183660 [0,0,1,0,0,1|2,0,0]=4 822 B22R2.8833 CNCCCOc1ccccc1SCCc2cccnc2 62a_100015186278_200011713674 [0,0,1,0,0,1|2,0,0]=4 823 B22R2.8833 CNCCCOc1ccccc1SCCc2cccnc2 62a_200011713674_100015186278 [0,0,1,0,0,1|2,0,0]=4 824 B22R2.8833 CNCCCOc1ccccc1SCCc2ccncc2 62a_100000723409_100015186278 [0,0,1,0,0,1|2,0,0]=4 825 B22R2.8833 CNCCCOc1ccccc1SCCc2ccncc2 62a_100015186278_100000723409 [0,0,1,0,0,1|2,0,0]=4 826 B22R2.8833 CNCCCOc1ccccc1SCSc2ccccc2 62a_100011218342_100015186278 [0,0,1,0,0,1|2,0,0]=4 827 B22R2.8833 CNCCCOc1ccccc1SCSc2ccccc2 62a_100015186278_100011218342 [0,0,1,0,0,1|2,0,0]=4 828 B22R2.8833 COCCCNc1ccccc1OCCc2ccccn2 34a_200015185306_100000740836 [0,0,1,0,0,1|2,0,0]=4 829 B22R2.8833 COCCCOc1ccccc1CNCc2ccccc2 207a_100015324214_200011202906 [0,0,1,0,0,1|2,0,0]=4 830 B22R2.8833 COCCCOc1ccccc1CNCc2ccccc2 270004a_100015324214_200011202906 [0,0,1,0,0,1|2,0,0]=4 831 B22R2.8833 COCCCOc1ccccc1CNCc2ccccc2 34a_100011219060_100000740836 [0,0,1,0,0,1|2,0,0]=4 832 B22R2.8833 COCCCOc1ccccc1NCCc2ccccc2 2230a_100000744116_100000765856 [0,0,1,0,0,1|2,0,0]=4 833 B22R2.8833 COCCCOc1ccccc1NCCc2ccccc2 34a_100000744116_100000765856 [0,0,1,0,0,1|2,0,0]=4 834 B22R2.8833 COCCCSc1ccccc1CNCc2ccccc2 62a_100000709357_200000195884 [0,0,1,0,0,1|2,0,0]=4 835 B22R2.8833 COCCCSc1ccccc1CNCc2ccccc2 62a_200000195884_100000709357 [0,0,1,0,0,1|2,0,0]=4 836 B22R2.2324 CCCCCN(Cc1ccccc1CO)c2ccccc2 2230a_200000219563_100009816955 [0,0,1,0,0,1|2,0,0]=4 837 B22R2.2324 CCCCCN(Cc1ccccc1CO)c2ccccc2 269982a_200000219563_100009816955 [0,0,1,0,0,1|2,0,0]=4 838 B22R2.2324 CCCCCN(Cc1ccccc1CO)c2ccccc2 34a_200000219563_100009816955 [0,0,1,0,0,1|2,0,0]=4 839 B22R2.2324 CCCCCN(Cc1ccccc1CO)c2ccccc2 7a_200000219563_100009816955 [0,0,1,0,0,1|2,0,0]=4 840 B22R2.2324 CCCCCN(Cc1ccccc1OC)c2ccccc2 2230a_200000219563_100000210004 [0,0,1,0,0,1|2,0,0]=4 841 B22R2.2324 CCCCCN(Cc1ccccc1OC)c2ccccc2 269982a_200000219563_100000210004 [0,0,1,0,0,1|2,0,0]=4 842 B22R2.2324 CCCCCN(Cc1ccccc1OC)c2ccccc2 34a_200000219563_100000210004 [0,0,1,0,0,1|2,0,0]=4 843 B22R2.2324 CCCCCN(Cc1ccccc1OC)c2ccccc2 7a_200000219563_100000210004 [0,0,1,0,0,1|2,0,0]=4 844 B22R2.2324 CCCCCN(Cc1ccccc1SC)c2ccccc2 2230a_200000219563_100000699184 [0,0,1,0,0,1|2,0,0]=4 845 B22R2.2324 CCCCCN(Cc1ccccc1SC)c2ccccc2 269982a_200000219563_100000699184 [0,0,1,0,0,1|2,0,0]=4 846 B22R2.2324 CCCCCN(Cc1ccccc1SC)c2ccccc2 34a_200000219563_100000699184 [0,0,1,0,0,1|2,0,0]=4 847 B22R2.2324 CCCCCN(Cc1ccccc1SC)c2ccccc2 7a_200000219563_100000699184 [0,0,1,0,0,1|2,0,0]=4