0 B22R3.914266 CCNN=C1c2ccccc2CCc3c1ccc(c3)O 4a_100000756455_200000011085 [0,1,0,0,0,0|3,0,0]=4 1 B22R3.12307660 CC(C)CNC1c2ccccc2CCc3c1cccc3 2230a_100000210953_100000031795 [0,1,0,0,0,0|2,0,1]=4 2 B22R3.12307660 CC(C)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210624 [0,1,0,0,0,0|2,0,1]=4 3 B22R3.12307660 CC(C)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210760 [0,1,0,0,0,0|2,0,1]=4 4 B22R3.12307660 CC(C)NN=C1c2ccccc2CCc3c1cccc3 4a_100000741168_100000061076 [0,1,0,0,0,0|3,0,0]=4 5 B22R3.12307660 CC(O)CNC1c2ccccc2CCc3c1cccc3 2230a_100000210904_100000031795 [0,1,0,0,0,0|2,0,1]=4 6 B22R3.12307660 CC(O)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011218427 [0,1,0,0,0,0|2,0,1]=4 7 B22R3.12307660 CC(O)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011218427 [0,1,0,0,0,0|2,0,1]=4 8 B22R3.12307660 CC(O)CSC1c2ccccc2CCc3c1cccc3 62a_100011218427_100000031795 [0,1,0,0,0,0|2,0,1]=4 9 B22R3.12307660 C[C@@H](O)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100009817552 [0,1,0,0,0,0|2,0,1]=4 10 B22R3.12307660 C[C@@H](O)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100009817552 [0,1,0,0,0,0|2,0,1]=4 11 B22R3.12307660 C[C@@H](O)CSC1c2ccccc2CCc3c1cccc3 62a_100009817552_100000031795 [0,1,0,0,0,0|2,0,1]=4 12 B22R3.12307660 FC(F)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011934356 [0,1,0,0,0,0|2,0,1]=4 13 B22R3.12307660 FC(F)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011934356 [0,1,0,0,0,0|2,0,1]=4 14 B22R3.12307660 FC(F)CSC1c2ccccc2CCc3c1cccc3 62a_100011934356_100000031795 [0,1,0,0,0,0|2,0,1]=4 15 B22R3.12307660 NC(=O)CNC1c2ccccc2CCc3c1cccc3 2230a_100000711301_100000031795 [0,1,0,0,0,0|1,0,2]=4 16 B22R3.12307660 NC(=O)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000187820 [0,1,0,0,0,0|1,0,2]=4 17 B22R3.12307660 NC(=O)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000187820 [0,1,0,0,0,0|1,0,2]=4 18 B22R3.12307660 NC(=O)CSC1c2ccccc2CCc3c1cccc3 62a_100000747473_100000031795 [0,1,0,0,0,0|1,0,2]=4 19 B22R3.12627361 C#CCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000688953 [0,1,0,0,0,0|2,0,1]=4 20 B22R3.12627361 C#CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000688953 [0,1,0,0,0,0|2,0,1]=4 21 B22R3.12627361 C#CCCSC1c2ccccc2CCc3c1cccc3 62a_100000688953_100000031795 [0,1,0,0,0,0|2,0,1]=4 22 B22R3.12627361 C=CCCNC1c2ccccc2CCc3c1cccc3 2230a_100015191253_100000031795 [0,1,0,0,0,0|2,0,1]=4 23 B22R3.12627361 C=CCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000754431 [0,1,0,0,0,0|2,0,1]=4 24 B22R3.12627361 C=CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000754431 [0,1,0,0,0,0|2,0,1]=4 25 B22R3.12627361 CCCCNC1c2ccccc2CCc3c1cccc3 2230a_100000102301_100000031795 [0,1,0,0,0,0|1,0,2]=4 26 B22R3.12627361 CCCCNC1c2ccccc2CCc3c1cccc3 7a_106832991798_100000031795 [0,1,0,0,0,0|1,0,2]=4 27 B22R3.12627361 CCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210210 [0,1,0,0,0,0|1,0,2]=4 28 B22R3.12627361 CCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210211 [0,1,0,0,0,0|1,0,2]=4 29 B22R3.12627361 CCCCOC1c2ccccc2CCc3c1cccc3 7a_100000210227_100000031795 [0,1,0,0,0,0|1,0,2]=4 30 B22R3.12627361 CCCNN=C1c2ccccc2CCc3c1cccc3 4a_100000740057_100000061076 [0,1,0,0,0,0|2,0,0]=3 31 B22R3.12627361 CCCNN=C1c2ccccc2COc3c1cccc3 4a_100000740057_100009998808 [0,1,0,0,0,0|3,0,0]=4 32 B22R3.12627361 CCCNN=C1c2ccccc2CSc3c1cccc3 4a_100000740057_100000037704 [0,1,0,0,0,0|3,0,0]=4 33 B22R3.12627361 CCOCSC1c2ccccc2CCc3c1cccc3 62a_100000739092_100000031795 [0,1,0,0,0,0|2,0,1]=4 34 B22R3.12627361 COCCNC1c2ccccc2CCc3c1cccc3 2230a_100000209980_100000031795 [0,1,0,0,0,0|2,0,1]=4 35 B22R3.12627361 COCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011201679 [0,1,0,0,0,0|2,0,1]=4 36 B22R3.12627361 COCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000233755 [0,1,0,0,0,0|2,0,1]=4 37 B22R3.12627361 COCCSC1c2ccccc2CCc3c1cccc3 62a_100000233755_100000031795 [0,1,0,0,0,0|2,0,1]=4 38 B22R3.12627361 CSCCNC1c2ccccc2CCc3c1cccc3 2230a_100020590264_100000031795 [0,1,0,0,0,0|2,0,1]=4 39 B22R3.12627361 CSCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000212216 [0,1,0,0,0,0|2,0,1]=4 40 B22R3.12627361 CSCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000212216 [0,1,0,0,0,0|2,0,1]=4 41 B22R3.12627361 CSCCOC1c2ccccc2CCc3c1cccc3 7a_100000230434_100000031795 [0,1,0,0,0,0|2,0,1]=4 42 B22R3.12627361 CSCCSC1c2ccccc2CCc3c1cccc3 62a_100000212216_100000031795 [0,1,0,0,0,0|2,0,1]=4 43 B22R3.12627361 FCCCNC1c2ccccc2CCc3c1cccc3 2230a_100015189416_100000031795 [0,1,0,0,0,0|1,0,2]=4 44 B22R3.12627361 FCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011934791 [0,1,0,0,0,0|1,0,2]=4 45 B22R3.12627361 FCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011934791 [0,1,0,0,0,0|1,0,2]=4 46 B22R3.12627361 FCCCSC1c2ccccc2CCc3c1cccc3 62a_100011934791_100000031795 [0,1,0,0,0,0|1,0,2]=4 47 B22R3.12627361 N#CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000184422 [0,1,0,0,0,0|1,0,2]=4 48 B22R3.12627361 N#CCCSC1c2ccccc2CCc3c1cccc3 62a_100011215226_100000031795 [0,1,0,0,0,0|1,0,2]=4 49 B22R3.12627361 OCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000230001 [0,1,0,0,0,0|1,0,2]=4 50 B22R3.12627361 OCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011215043 [0,1,0,0,0,0|1,0,2]=4 51 B22R3.12627361 OCCCSC1c2ccccc2CCc3c1cccc3 62a_100011215043_100000031795 [0,1,0,0,0,0|1,0,2]=4 52 B22R3.12627361 OCCNN=C1c2ccccc2CCc3c1cccc3 4a_100000210001_100000061076 [0,1,0,0,0,0|2,0,0]=3 53 B22R3.12627361 OCCNN=C1c2ccccc2COc3c1cccc3 4a_100000210001_100009998808 [0,1,0,0,0,0|3,0,0]=4 54 B22R3.12627361 OCCNN=C1c2ccccc2CSc3c1cccc3 4a_100000210001_100000037704 [0,1,0,0,0,0|3,0,0]=4 55 B22R3.13446522 CCCN(C)C1c2ccccc2CCc3c1cccc3 2230a_100000747261_100000031795 [0,1,0,0,0,0|2,0,1]=4 56 B22R3.13446522 CCCN(C)C1c2ccccc2CCc3c1cccc3 269982a_100000747261_100000031795 [0,1,0,0,0,0|2,0,1]=4 57 B22R3.13446522 CN(CCO)C1c2ccccc2CCc3c1cccc3 2230a_100000210263_100000031795 [0,1,0,0,0,0|2,0,1]=4 58 B22R3.13446522 CN(CCO)C1c2ccccc2CCc3c1cccc3 269982a_100000210263_100000031795 [0,1,0,0,0,0|2,0,1]=4 59 B22R3.13446522 CNCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_106832991635_200000596418 [0,1,0,0,0,0|3,0,0]=4 60 B22R3.13446522 CNCC(=O)N1c2ccccc2CCc3c1cccc3 34a_100102657272_200000596418 [0,1,0,0,0,0|3,0,0]=4 61 B22R3.13446522 CNCC(=O)N1c2ccccc2CCc3c1cccc3 7a_106832991635_200000596418 [0,1,0,0,0,0|3,0,0]=4 62 B22R3.13446522 COCC(=O)N1c2ccccc2CCc3c1cccc3 34a_100138415774_200000596418 [0,1,0,0,0,0|3,0,0]=4 63 B22R3.13446522 CSCC(=O)N1c2ccccc2CCc3c1cccc3 62a_200000210301_200000596418 [0,1,0,0,0,0|3,0,0]=4 64 B22R3.13446522 [13CH3]SCC(=O)N1c2ccccc2CCc3c1cccc3 62a_200025704644_200000596418 [0,1,0,0,0,0|3,0,0]=4 65 B22R3.15879546 CC(CF)OC1c2ccccc2CCc3c1cccc3 7a_100016041109_100000031795 [0,1,0,0,0,0|2,0,1]=4 66 B22R3.15879546 CC(CO)OC1c2ccccc2CCc3c1cccc3 34a_100000025823_100012180447 [0,1,0,0,0,0|2,0,1]=4 67 B22R3.15879546 CC(CO)OC1c2ccccc2CCc3c1cccc3 7a_100000025823_100012180447 [0,1,0,0,0,0|2,0,1]=4 68 B22R3.15879546 CC(CO)SC1c2ccccc2CCc3c1cccc3 62a_100012180447_100000031795 [0,1,0,0,0,0|2,0,1]=4 69 B22R3.15879546 CCC(C)NC1c2ccccc2CCc3c1cccc3 2230a_100000209981_100000031795 [0,1,0,0,0,0|2,0,1]=4 70 B22R3.15879546 CCC(C)OC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011215416 [0,1,0,0,0,0|2,0,1]=4 71 B22R3.15879546 CCC(C)OC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000758301 [0,1,0,0,0,0|2,0,1]=4 72 B22R3.15879546 CCC(C)OC1c2ccccc2CCc3c1cccc3 7a_100000210228_100000031795 [0,1,0,0,0,0|2,0,1]=4 73 B22R3.15879546 C[C@H](CO)NC1c2ccccc2CCc3c1cccc3 2230a_100000737577_100000031795 [0,1,0,0,0,0|2,0,1]=4 74 B22R3.15879546 C[C@H](CO)SC1c2ccccc2CCc3c1cccc3 62a_100016084084_100000031795 [0,1,0,0,0,0|2,0,1]=4 75 B21R2.25556 CCCCC(=O)c1ccccc1CCc2ccccc2 1458a_100000610640_100000210211 [0,1,1,0,0,0|1,0,1]=4 76 B21R2.25556 CCCNC(=O)c1ccccc1CCc2ccccc2 11a_100020643023_100000610640 [0,1,1,0,0,0|2,0,0]=4 77 B21R2.25556 CCCNC(=O)c1ccccc1CCc2ccccc2 1626a_100020643023_100000610640 [0,1,1,0,0,0|2,0,0]=4 78 B21R2.25556 CCCNC(=O)c1ccccc1CCc2ccccc2 240690a_100020643023_100000610640 [0,1,1,0,0,0|2,0,0]=4 79 B21R2.25556 CCCNC(=O)c1ccccc1CCc2ccccc2 527a_100020643023_100000610640 [0,1,1,0,0,0|2,0,0]=4 80 B21R2.25556 O=C(CCCF)c1ccccc1CCc2ccccc2 1458a_100000610640_100011934791 [0,1,1,0,0,0|1,0,1]=4 81 B21R2.25556 O=C(CCCO)c1ccccc1CCc2ccccc2 1458a_100000610640_100011215043 [0,1,1,0,0,0|1,0,1]=4 82 B21R2.25556 O=C(NCCF)c1ccccc1CCc2ccccc2 11a_100000724931_100000610640 [0,1,1,0,0,0|2,0,0]=4 83 B21R2.25556 O=C(NCCF)c1ccccc1CCc2ccccc2 1626a_100000724931_100000610640 [0,1,1,0,0,0|2,0,0]=4 84 B21R2.25556 O=C(NCCF)c1ccccc1CCc2ccccc2 240690a_100000724931_100000610640 [0,1,1,0,0,0|2,0,0]=4 85 B21R2.25556 O=C(NCCF)c1ccccc1CCc2ccccc2 527a_100000724931_100000610640 [0,1,1,0,0,0|2,0,0]=4 86 B21R2.25556 O=C(NCCO)c1ccccc1CCc2ccccc2 240690a_100000210304_100000610640 [0,1,1,0,0,0|2,0,0]=4 87 B21R2.25556 O=C(NCCO)c1ccccc1CCc2ccccc2 527a_100000210304_100000610640 [0,1,1,0,0,0|2,0,0]=4 88 B23R3.19658479 CCCNN=C1c2ccccc2CCc3c1ccc(c3)O 4a_100000740057_200000011085 [0,2,0,0,0,0|2,0,0]=4 89 B23R3.19658479 OCCNN=C1c2ccccc2CCc3c1ccc(c3)O 4a_100000210001_200000011085 [0,2,0,0,0,0|2,0,0]=4 90 B23R3.24909647 CCC(C)NN=C1c2ccccc2CCc3c1cccc3 4a_100000718999_100000061076 [0,2,0,0,0,0|2,0,0]=4 91 B23R3.25657126 CCCCNN=C1c2ccccc2CCc3c1cccc3 4a_100025702795_100000061076 [0,2,0,0,0,0|1,0,1]=4 92 B23R3.25657126 N#CCCNN=C1c2ccccc2CCc3c1cccc3 4a_100000229987_100000061076 [0,2,0,0,0,0|1,0,1]=4 93 B23R3.26139327 CC(O)CNN=C1c2ccccc2CCc3c1cccc3 4a_200000730056_100000061076 [0,2,0,0,0,0|2,0,0]=4 94 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_200000210301 [0,2,0,0,0,0|0,0,0]=2 95 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_200000210301 [0,2,0,0,0,0|0,0,0]=2 96 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_200000210301 [0,2,0,0,0,0|0,0,0]=2 97 B23R3.26139327 CN(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000755713 [0,2,0,0,0,0|1,0,1]=4 98 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_200025704644 [0,2,0,0,0,0|0,0,0]=2 99 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_200025704644 [0,2,0,0,0,0|0,0,0]=2 100 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_200025704644 [0,2,0,0,0,0|0,0,0]=2 101 B23R3.26139327 NC(=O)CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000731001 [0,2,0,0,0,0|1,0,1]=4 102 B23R3.26139327 NC(=O)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000744528 [0,2,0,0,0,0|1,0,1]=4 103 B23R3.26139327 NC(=O)CCOC1c2ccccc2CCc3c1cccc3 7a_100000757172_100000031795 [0,2,0,0,0,0|1,0,1]=4 104 B23R3.26139327 NC(=O)CCSC1c2ccccc2CCc3c1cccc3 62a_100000744528_100000031795 [0,2,0,0,0,0|1,0,1]=4 105 B23R3.32306063 CCNCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_100015525214_200000596418 [0,2,0,0,0,0|2,0,0]=4 106 B23R3.32306063 CCOCC(=O)N1c2ccccc2CCc3c1cccc3 34a_100121572206_200000596418 [0,2,0,0,0,0|2,0,0]=4 107 B23R3.32306063 CCSCC(=O)N1c2ccccc2CCc3c1cccc3 62a_100000210202_200000596418 [0,2,0,0,0,0|2,0,0]=4 108 B23R3.32306063 CNCCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_106832991635_200020598663 [0,2,0,0,0,0|1,0,0]=3 109 B23R3.32306063 CNCCC(=O)N1c2ccccc2CCc3c1cccc3 7a_106832991635_200020598663 [0,2,0,0,0,0|1,0,0]=3 110 B23R3.32306063 CSCCC(=O)N1c2ccccc2CCc3c1cccc3 62a_200000210301_200020598663 [0,2,0,0,0,0|2,0,0]=4 111 B23R3.32306063 O=C(CSCF)N1c2ccccc2CCc3c1cccc3 62a_100015361967_200000596418 [0,2,0,0,0,0|2,0,0]=4 112 B23R3.32306063 [13CH3]SCCC(=O)N1c2ccccc2CCc3c1cccc3 62a_200025704644_200020598663 [0,2,0,0,0,0|2,0,0]=4 113 B23R4.1541467 c1ccc2c(c1)CCc3ccccc3C2=NNC4CC4 4a_100000701032_100000061076 [0,1,0,1,0,0|2,0,0]=4 114 B21R2.24809 CCCC=Cc1ccccc1CNCc2ccccc2 271570a_100016258520_200000195884 [0,0,1,0,0,1|1,0,0]=3 115 B21R2.24809 CCOC=Cc1ccccc1CNCc2ccccc2 271570a_100016256518_200000195884 [0,0,1,0,0,1|2,0,0]=4 116 B21R2.24809 COCC=Cc1ccccc1CNCc2ccccc2 271570a_100016286323_200000195884 [0,0,1,0,0,1|2,0,0]=4