0 B23R3.26139327 C=C(C)CCSC1c2ccccc2CCc3c1cccc3 62a_100000730704_100000031795 [0,0,0,0,0,0|3,0,1]=4 1 B23R3.26139327 CC(=CCSC1c2ccccc2CCc3c1cccc3)C 62a_100000761012_100000031795 [0,0,0,0,0,0|3,0,1]=4 2 B23R3.26139327 CC(C)CCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000210626 [0,0,0,0,0,0|4,0,0]=4 3 B23R3.26139327 CC(C)CCSC1c2ccccc2CCc3c1cccc3 62a_100000210312_100000031795 [0,0,0,0,0,0|3,0,0]=3 4 B22R3.12627361 CCCCSC1c2ccccc2CCc3c1cccc3 62a_100000210211_100000031795 [1,0,0,0,0,0|3,0,0]=4 5 B24R3.40764905 CCC(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100011215188_100000031795 [0,1,0,0,0,0|3,0,0]=4 6 B24R3.115675198 CC(C)CC(C)OC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000731052 [0,1,0,0,0,0|3,0,0]=4 7 B24R3.115675198 CC(C)CC(C)OC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000731052 [0,1,0,0,0,0|3,0,0]=4 8 B24R3.115675198 CC(C)CC(C)OC1c2ccccc2CCc3c1cccc3 7a_100000211805_100000031795 [0,1,0,0,0,0|3,0,0]=4 9 B24R3.1505225918 CC(C)(C)CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000755188 [0,1,0,0,0,0|3,0,0]=4 10 B24R3.1505225918 CC(C)(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000755188 [0,1,0,0,0,0|3,0,0]=4 11 B24R3.1505225918 CC(C)(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000765024_100000031795 [0,1,0,0,0,0|3,0,0]=4 12 B24R3.1505225918 C[Si](C)(C)CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_200000733723 [0,1,0,0,0,0|3,0,0]=4 13 B24R3.1505225918 C[Si](C)(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_200000733723 [0,1,0,0,0,0|3,0,0]=4 14 B24R3.1505225918 C[Si](C)(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000039746_100000031795 [0,1,0,0,0,0|3,0,0]=4 15 B24R3.1505225918 C[Si](C)(C)CCSC1c2ccccc2CCc3c1cccc3 62a_200000733723_100000031795 [0,1,0,0,0,0|3,0,0]=4 16 B22R2.26914 CC(=CCCNc1ccccc1COc2ccccc2)C 2230a_100000742786_100011217483 [0,0,1,0,0,0|2,0,1]=4 17 B22R2.26914 CC(=CCCNc1ccccc1COc2ccccc2)C 34a_100000742786_100011217483 [0,0,1,0,0,0|2,0,1]=4 18 B22R2.26914 CC(=CCCNc1ccccc1COc2ccccc2)C 7a_100000742786_100011217483 [0,0,1,0,0,0|2,0,1]=4 19 B22R2.26914 CC(=CCCNc1ccccc1OCc2ccccc2)C 34a_100011193923_100011217483 [0,0,1,0,0,0|2,0,1]=4 20 B22R2.26914 CC(=CCCNc1ccccc1SCc2ccccc2)C 34a_100000198535_100011217483 [0,0,1,0,0,0|2,0,1]=4 21 B22R2.26914 CC(=CCCNc1ccccc1SCc2ccccc2)C 7a_100000198535_100011217483 [0,0,1,0,0,0|2,0,1]=4 22 B22R2.26914 CC(C)CCCNc1ccccc1COc2ccccc2 2230a_100000742786_100011214892 [0,0,1,0,0,0|2,0,0]=3 23 B22R2.26914 CC(C)CCCNc1ccccc1COc2ccccc2 34a_100000742786_100011214892 [0,0,1,0,0,0|2,0,0]=3 24 B22R2.26914 CC(C)CCCNc1ccccc1COc2ccccc2 7a_100000742786_100011214892 [0,0,1,0,0,0|2,0,0]=3 25 B22R2.26914 CC(C)CCCNc1ccccc1OCc2ccccc2 34a_100011193923_100011214892 [0,0,1,0,0,0|2,0,0]=3 26 B22R2.26914 CC(C)CCCNc1ccccc1SCc2ccccc2 34a_100000198535_100011214892 [0,0,1,0,0,0|2,0,0]=3 27 B22R2.26914 CC(C)CCCNc1ccccc1SCc2ccccc2 7a_100000198535_100011214892 [0,0,1,0,0,0|2,0,0]=3 28 B22R2.26914 CC(C)CCCOc1ccccc1OCc2ccccc2 34a_100000187230_100011214892 [0,0,1,0,0,0|3,0,0]=4 29 B22R2.26914 CC(C)CCCOc1ccccc1OCc2ccccc2 7a_100000187230_100011214892 [0,0,1,0,0,0|3,0,0]=4 30 B22R2.26914 CC(C)CCCSc1ccccc1OCc2ccccc2 62a_100000151716_100011214892 [0,0,1,0,0,0|3,0,0]=4 31 B22R2.26914 CC(C)CCCSc1ccccc1OCc2ccccc2 62a_100011214892_100000151716 [0,0,1,0,0,0|3,0,0]=4 32 B22R2.26914 CC(C)CCOCc1ccccc1CCc2ccccc2 34a_200000042600_100000210312 [0,0,1,0,0,0|3,0,0]=4 33 B22R2.26914 CC(C)CCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000210626 [0,0,1,0,0,0|3,0,0]=4 34 B22R2.26914 CC(C)SCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000730970 [0,0,1,0,0,0|3,0,0]=4 35 B22R2.26914 CC(C)SCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000730970 [0,0,1,0,0,0|3,0,0]=4 36 B24R4.7210012 c1ccc2c(c1)CCc3ccccc3C2SCCC4CC4 62a_100000764125_100000031795 [0,0,0,1,0,0|3,0,0]=4 37 B22R3.12307660 CC(C)CSC1c2ccccc2CCc3c1cccc3 62a_100000210624_100000031795 [0,0,0,0,1,0|3,0,0]=4 38 B24R3.28516359 CC(=CCCOC1c2ccccc2CCc3c1cccc3)C 34a_100000025823_100011217483 [0,0,0,0,0,1|2,0,1]=4 39 B24R3.28516359 CC(=CCCOC1c2ccccc2CCc3c1cccc3)C 7a_100000025823_100011217483 [0,0,0,0,0,1|2,0,1]=4 40 B24R3.28516359 CC(=CCCSC1c2ccccc2CCc3c1cccc3)C 62a_100011217483_100000031795 [0,0,0,0,0,1|2,0,1]=4 41 B24R3.28516359 CC(C)CCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011214892 [0,0,0,0,0,1|2,0,0]=3 42 B24R3.28516359 CC(C)CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011214892 [0,0,0,0,0,1|2,0,0]=3 43 B24R3.28516359 CC(C)CCCOC1c2ccccc2CCc3c1cccc3 7a_100000210774_100000031795 [0,0,0,0,0,1|2,0,0]=3 44 B24R3.28516359 CC(C)CCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100011214892 [0,0,0,0,0,1|3,0,0]=4 45 B24R3.28516359 CC(C)OCCSC1c2ccccc2CCc3c1cccc3 62a_100000211751_100000031795 [0,0,0,0,0,1|3,0,0]=4 46 B24R3.28516359 CC(C)SCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000730970 [0,0,0,0,0,1|3,0,0]=4 47 B24R3.28516359 CC(C)SCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000730970 [0,0,0,0,0,1|3,0,0]=4 48 B24R3.28516359 CC(C)SCCOC1c2ccccc2CCc3c1cccc3 7a_200011212901_100000031795 [0,0,0,0,0,1|3,0,0]=4 49 B24R3.28516359 CC(C)SCCSC1c2ccccc2CCc3c1cccc3 62a_100000730970_100000031795 [0,0,0,0,0,1|3,0,0]=4 50 B21R2.14087 CCCCCNc1ccccc1SCc2ccccc2 34a_100000198535_100000718602 [1,0,1,0,0,0|2,0,0]=4 51 B21R2.14087 CCCCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000210326 [1,0,1,0,0,0|2,0,0]=4 52 B21R3.590114 CCCSC1c2ccccc2CCc3c1cccc3 62a_100000210303_100000031795 [2,0,0,0,0,0|2,0,0]=4 53 B23R2.12192 CC(C)CCCNc1ccccc1SCc2ccccc2F 34a_100015187786_100011214892 [0,1,1,0,0,0|2,0,0]=4 54 B23R2.12192 CC(C)CCCNc1ccccc1SCc2ccccc2F 7a_100015187786_100011214892 [0,1,1,0,0,0|2,0,0]=4 55 B23R2.12192 CN(C)CCCNc1ccccc1SCc2ccccc2Cl 7a_100015185902_100000757444 [0,1,1,0,0,0|1,0,0]=3 56 B23R2.26041 CC(C)CCCNc1ccccc1SCc2ccc(cc2)F 2230a_100015187171_100011214892 [0,1,1,0,0,0|2,0,0]=4 57 B23R2.26041 CC(C)CCCNc1ccccc1SCc2ccc(cc2)F 34a_100015187171_100011214892 [0,1,1,0,0,0|2,0,0]=4 58 B23R2.26041 CC(C)CCCNc1ccccc1SCc2ccc(cc2)F 7a_100015187171_100011214892 [0,1,1,0,0,0|2,0,0]=4 59 B23R2.26041 CN(C)CCCNc1ccccc1SCc2ccc(cc2)Cl 7a_100000299865_100000757444 [0,1,1,0,0,0|1,0,0]=3 60 B23R2.182447 CC(C)CCCNc1cc(ccc1OCc2ccccc2)Br 2230a_200011228974_100011214892 [0,1,1,0,0,0|2,0,0]=4 61 B23R2.182447 CC(C)CCCNc1cc(ccc1OCc2ccccc2)Br 34a_200011228974_100011214892 [0,1,1,0,0,0|2,0,0]=4 62 B23R2.182447 CC(C)CCCNc1cc(ccc1OCc2ccccc2)Br 7a_200011228974_100011214892 [0,1,1,0,0,0|2,0,0]=4 63 B23R2.268595 CC(C)CCCNc1cccc(c1OCc2ccccc2)F 2230a_100013039107_100011214892 [0,1,1,0,0,0|2,0,0]=4 64 B23R2.268595 CC(C)CCCNc1cccc(c1OCc2ccccc2)F 34a_100013039107_100011214892 [0,1,1,0,0,0|2,0,0]=4 65 B23R2.392971 CC(C)CCCNc1ccccc1SCc2cccc(c2)F 2230a_100015187172_100011214892 [0,1,1,0,0,0|2,0,0]=4 66 B23R2.392971 CC(C)CCCNc1ccccc1SCc2cccc(c2)F 34a_100015187172_100011214892 [0,1,1,0,0,0|2,0,0]=4 67 B23R2.392971 CC(C)CCCNc1ccccc1SCc2cccc(c2)F 7a_100015187172_100011214892 [0,1,1,0,0,0|2,0,0]=4 68 B23R2.392971 CN(C)CCCNc1ccccc1SCc2cccc(c2)Cl 7a_100015184656_100000757444 [0,1,1,0,0,0|1,0,0]=3 69 B23R2.397578 CC(C)CCCNc1ccc(cc1OCc2ccccc2)F 2230a_100011195462_100011214892 [0,1,1,0,0,0|2,0,0]=4 70 B23R2.397578 CC(C)CCCNc1ccc(cc1OCc2ccccc2)F 34a_100011195462_100011214892 [0,1,1,0,0,0|2,0,0]=4 71 B23R2.397578 CC(C)CCCNc1ccc(cc1OCc2ccccc2)F 7a_100011195462_100011214892 [0,1,1,0,0,0|2,0,0]=4 72 B23R2.397578 Cc1ccc(c(c1)OCc2ccccc2)NCCCC(C)C 2230a_100011220564_100011214892 [0,1,1,0,0,0|2,0,0]=4 73 B23R2.397578 Cc1ccc(c(c1)OCc2ccccc2)NCCCC(C)C 34a_100011220564_100011214892 [0,1,1,0,0,0|2,0,0]=4 74 B23R2.470008 CC(C)CCCNc1ccccc1N(C)Cc2ccccc2 2230a_100000745351_100011214892 [0,1,1,0,0,0|2,0,0]=4 75 B23R2.472034 CC(C)CCCC(=O)c1ccccc1CCc2ccccc2 1458a_100000610640_100011214892 [0,1,1,0,0,0|2,0,0]=4 76 B23R2.472552 CC(C)CCC(C)Nc1ccccc1CCc2ccccn2 34a_200000071813_100011261404 [0,1,1,0,0,0|2,0,0]=4 77 B23R2.472552 CC(C)CCC(C)Nc1ccccc1COc2ccccc2 2230a_100000742786_100011261404 [0,1,1,0,0,0|2,0,0]=4 78 B23R2.472552 CC(C)CCC(C)Nc1ccccc1COc2ccccc2 34a_100000742786_100011261404 [0,1,1,0,0,0|2,0,0]=4 79 B23R2.472552 CC(C)CCC(C)Nc1ccccc1OCc2ccccc2 34a_100011193923_100011261404 [0,1,1,0,0,0|2,0,0]=4 80 B23R2.5110902 C[Si](C)(C)CCCNc1ccccc1CCc2ccccn2 34a_200000071813_100011219597 [0,1,1,0,0,0|2,0,0]=4 81 B23R2.5110902 C[Si](C)(C)CCCNc1ccccc1COc2ccccc2 2230a_100000742786_100011219597 [0,1,1,0,0,0|2,0,0]=4 82 B23R2.5110902 C[Si](C)(C)CCCNc1ccccc1COc2ccccc2 34a_100000742786_100011219597 [0,1,1,0,0,0|2,0,0]=4 83 B23R2.5110902 C[Si](C)(C)CCCNc1ccccc1COc2ccccc2 7a_100000742786_100011219597 [0,1,1,0,0,0|2,0,0]=4 84 B23R2.5110902 C[Si](C)(C)CCCNc1ccccc1OCc2ccccc2 34a_100011193923_100011219597 [0,1,1,0,0,0|2,0,0]=4 85 B23R3.25657126 CCCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000718602 [1,1,0,0,0,0|2,0,0]=4 86 B23R3.25657126 CCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210326 [1,1,0,0,0,0|2,0,0]=4 87 B23R3.25657126 CCCCCOC1c2ccccc2CCc3c1cccc3 7a_100000210253_100000031795 [1,1,0,0,0,0|2,0,0]=4 88 B23R3.25657126 CCCCCSC1c2ccccc2CCc3c1cccc3 62a_100000210326_100000031795 [1,1,0,0,0,0|2,0,0]=4 89 B25R3.46981908 CCC(C)CCCOC1c2ccccc2CCc3c1cccc3 7a_100011216074_100000031795 [0,1,0,0,0,1|2,0,0]=4 90 B25R3.72609343 CC(C)(O)CCCSC1c2ccccc2CCc3c1cccc3 62a_100009888830_100000031795 [0,1,0,0,0,1|2,0,0]=4 91 B25R3.72609343 C[Si](C)(C)CCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011219597 [0,1,0,0,0,1|2,0,0]=4 92 B25R3.72609343 C[Si](C)(C)CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011219597 [0,1,0,0,0,1|2,0,0]=4 93 B25R3.72609343 C[Si](C)(C)CCCOC1c2ccccc2CCc3c1cccc3 7a_200011215415_100000031795 [0,1,0,0,0,1|2,0,0]=4 94 B25R3.73122306 CC(C)CCC(C)NC1c2ccccc2CCc3c1cccc3 2230a_100138410893_100000031795 [0,1,0,0,0,1|2,0,0]=4 95 B25R3.73122306 CC(C)CCC(C)OC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011261404 [0,1,0,0,0,1|2,0,0]=4 96 B25R3.73122306 CC(C)CCC(C)OC1c2ccccc2CCc3c1cccc3 7a_100011215350_100000031795 [0,1,0,0,0,1|2,0,0]=4 97 B21R2.12800 CC(=CCCNc1ccccc1Cc2ccccc2)C 2230a_100000211252_100011217483 [0,0,1,0,1,0|1,0,1]=4 98 B21R2.12800 CC(=CCCNc1ccccc1Cc2ccccc2)C 34a_100000211252_100011217483 [0,0,1,0,1,0|1,0,1]=4 99 B21R2.12800 CC(=CCCNc1ccccc1Cc2ccccc2)C 7a_100000211252_100011217483 [0,0,1,0,1,0|1,0,1]=4 100 B21R2.12800 CC(C)CCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100011214892 [0,0,1,0,1,0|1,0,0]=3 101 B21R2.12800 CC(C)CCCNc1ccccc1Cc2ccccc2 34a_100000211252_100011214892 [0,0,1,0,1,0|1,0,0]=3 102 B21R2.12800 CC(C)CCCNc1ccccc1Cc2ccccc2 7a_100000211252_100011214892 [0,0,1,0,1,0|1,0,0]=3 103 B21R2.12800 CC(C)CCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100011214892 [0,0,1,0,1,0|2,0,0]=4 104 B21R2.12800 CC(C)CCCNc1ccccc1Oc2ccccc2 34a_100000182328_100011214892 [0,0,1,0,1,0|2,0,0]=4 105 B21R2.12800 CC(C)CCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100011214892 [0,0,1,0,1,0|2,0,0]=4 106 B21R2.12800 CC(C)CCCOc1ccccc1Cc2ccccc2 34a_100000211249_100011214892 [0,0,1,0,1,0|2,0,0]=4 107 B21R2.12800 CC(C)CCCOc1ccccc1Cc2ccccc2 7a_100000211249_100011214892 [0,0,1,0,1,0|2,0,0]=4 108 B21R2.12800 CC(C)CCCSc1ccccc1Cc2ccccc2 62a_100011214892_200011216382 [0,0,1,0,1,0|2,0,0]=4 109 B21R2.12800 CC(C)CCCSc1ccccc1Cc2ccccc2 62a_200011216382_100011214892 [0,0,1,0,1,0|2,0,0]=4 110 B21R2.13007 CC(C)CCNc1ccccc1SCc2ccccc2 34a_100000198535_100000210312 [0,0,1,0,1,0|2,0,0]=4 111 B21R2.13007 CC(C)CCNc1ccccc1SCc2ccccc2 7a_100000198535_100000210626 [0,0,1,0,1,0|2,0,0]=4 112 B23R2.186861 CC(C)CCCCNc1ccccc1CCc2ccccn2 34a_200000071813_100011216152 [0,0,1,0,0,1|2,0,0]=4 113 B23R2.186861 CC(C)CCCCNc1ccccc1COc2ccccc2 2230a_100000742786_100011216152 [0,0,1,0,0,1|2,0,0]=4 114 B23R2.186861 CC(C)CCCCNc1ccccc1COc2ccccc2 34a_100000742786_100011216152 [0,0,1,0,0,1|2,0,0]=4 115 B23R2.186861 CC(C)CCCCNc1ccccc1COc2ccccc2 7a_100000742786_100011216152 [0,0,1,0,0,1|2,0,0]=4 116 B23R2.186861 CC(C)CCCCNc1ccccc1OCc2ccccc2 34a_100011193923_100011216152 [0,0,1,0,0,1|2,0,0]=4 117 B23R2.186861 CC(C)CCCOCc1ccccc1CCc2ccccc2 34a_200000042600_100011214892 [0,0,1,0,0,1|2,0,0]=4 118 B23R2.186861 CC(C)CCCOCc1ccccc1CCc2ccccc2 7a_200000042600_100011214892 [0,0,1,0,0,1|2,0,0]=4 119 B23R2.468396 CC(C)CCCSc1ccccc1CNCc2ccccc2 62a_100011214892_200000195884 [0,0,1,0,0,1|2,0,0]=4 120 B23R2.468396 CC(C)CCCSc1ccccc1CNCc2ccccc2 62a_200000195884_100011214892 [0,0,1,0,0,1|2,0,0]=4 121 B25R3.32227889 CC(C)CCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011216152 [0,0,0,0,0,2|2,0,0]=4 122 B25R3.32227889 CC(C)CCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100011216152 [0,0,0,0,0,2|2,0,0]=4 123 B25R3.32227889 CC(C)CCCCOC1c2ccccc2CCc3c1cccc3 7a_100011214890_100000031795 [0,0,0,0,0,2|2,0,0]=4 124 B25R3.32227889 CC(C)CSCCOC1c2ccccc2CCc3c1cccc3 7a_200000230437_100000031795 [0,0,0,0,0,2|2,0,0]=4