0 B19R2.867513 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2 11a_100011207991_100000185807 [0,0,0,0,0,0|2,0,0]=2 1 B19R2.867513 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2 1626a_100011207991_100000185807 [0,0,0,0,0,0|2,0,0]=2 2 B19R2.867513 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2 240690a_100011207991_100000185807 [0,0,0,0,0,0|2,0,0]=2 3 B19R2.867513 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2 527a_100011207991_100000185807 [0,0,0,0,0,0|2,0,0]=2 4 B19R2.867513 CC1CC(CC(C1)(C)C)NC(C)c2ccccc2 2230a_100011207991_100000230085 [0,0,0,0,0,0|3,0,1]=4 5 B19R2.867513 CC1CC(CC(C1)(C)C)NC(C)c2ccccc2 269862a_100011207991_100000185851 [0,0,0,0,0,0|3,0,1]=4 6 B19R2.867513 CC1CC(CC(C1)(C)C)NC(C)c2cccnc2 269862a_100011207991_100000210468 [0,0,0,0,0,0|2,0,1]=3 7 B19R2.867513 CC1CC(CC(C1)(C)C)NC(C)c2cccnc2 270004a_100000195435_100000209998 [0,0,0,0,0,0|2,0,1]=3 8 B19R2.867513 CC1CC(CC(C1)(C)C)NC(C)c2cccnn2 269862a_100011207991_100009866853 [0,0,0,0,0,0|3,0,1]=4 9 B19R2.867513 CC1CC(CC(C1)(C)C)NC(C)c2ccnnc2 269862a_100011207991_100012182992 [0,0,0,0,0,0|3,0,1]=4 10 B19R2.867513 CC1CC(CC(C1)(C)C)NC(C)c2cnccn2 2230a_100011207991_200000703233 [0,0,0,0,0,0|3,0,1]=4 11 B19R2.867513 CC1CC(CC(C1)(C)C)NC(C)c2cnccn2 269862a_100011207991_100000751083 [0,0,0,0,0,0|3,0,1]=4 12 B19R2.867513 CC1CC(CC(C1)(C)C)NC(C)c2cncnc2 269862a_100011207991_100000757475 [0,0,0,0,0,0|3,0,1]=4 13 B19R2.867513 CC1CC(CC(C1)(C)C)N[C@H](C)c2ccccc2 270004a_100000751104_100000209998 [0,0,0,0,0,0|3,0,1]=4 14 B19R2.867513 CC1CC(CC(C1)(C)C)N[C@H](C)c2cnccn2 270004a_100020589798_100000209998 [0,0,0,0,0,0|3,0,1]=4 15 B18R2.3664 CC1CC(CC(C1)NC(C)c2cccnc2)C 270004a_100000195435_100000753413 [1,0,0,0,0,0|2,0,1]=4 16 B18R2.3664 CC1CC(CN(C1)CC(=O)c2ccccc2)C 269982a_100000210448_100000211460 [1,0,0,0,0,0|3,0,0]=4 17 B18R2.3664 CC1CC(CN(C1)CC(=O)c2cccnc2)C 269982a_100000210448_100000757877 [1,0,0,0,0,0|2,0,0]=3 18 B18R2.3664 CC1CN(CC(O1)C)CC(=O)c2cccnc2 269982a_100000210032_100000757877 [1,0,0,0,0,0|3,0,0]=4 19 B18R2.72767 CC(NC1CCCC(C1)(C)C)c2cccnc2 270004a_100000195435_100000031663 [1,0,0,0,0,0|2,0,1]=4 20 B18R2.72767 CC(OC1CCCC(C1)(C)C)c2ccccc2 7a_100011995757_100000230085 [1,0,0,0,0,0|2,0,1]=4 21 B18R2.72767 CC(OC1CCCC(C1)(C)C)c2cnccn2 7a_100011995757_200000703233 [1,0,0,0,0,0|2,0,1]=4 22 B18R2.72767 CC1(CC(CCO1)NC(=O)c2ccccc2)C 11a_100000696200_100000185807 [1,0,0,0,0,0|3,0,0]=4 23 B18R2.72767 CC1(CC(CCO1)NC(=O)c2ccccc2)C 1626a_100000696200_100000185807 [1,0,0,0,0,0|3,0,0]=4 24 B18R2.72767 CC1(CC(CCO1)NC(=O)c2ccccc2)C 240690a_100000696200_100000185807 [1,0,0,0,0,0|3,0,0]=4 25 B18R2.72767 CC1(CC(CCO1)NC(=O)c2ccccc2)C 527a_100000696200_100000185807 [1,0,0,0,0,0|3,0,0]=4 26 B18R2.72767 CC1(CCCN(C1)CC(=O)c2ccccc2)C 269982a_100000716857_100000211460 [1,0,0,0,0,0|3,0,0]=4 27 B18R2.72767 CC1(CCCN(C1)CC(=O)c2cccnc2)C 269982a_100000716857_100000757877 [1,0,0,0,0,0|2,0,0]=3 28 B18R2.72767 CC1(CCCN(C1)CC(=O)c2cccnc2)O 269982a_100000695535_100000757877 [1,0,0,0,0,0|3,0,0]=4 29 B18R2.72767 CC1(CN(CCO1)CC(=O)c2cccnc2)C 269982a_100000738910_100000757877 [1,0,0,0,0,0|3,0,0]=4 30 B18R2.473731 CC1=CC(CC(C1)(C)C)OCc2cccnc2 34a_100000211225_100000733263 [1,0,0,0,0,0|0,0,3]=4 31 B18R2.473731 CC1CC(=NNc2cccnc2)CC(C1)(C)C 4a_100000728903_100000209998 [1,0,0,0,0,0|2,0,1]=4 32 B18R2.473731 CC1CC(CC(C1)(C)C)NCc2ccccc2 207a_100011207991_100015611070 [1,0,0,0,0,0|2,0,1]=4 33 B18R2.473731 CC1CC(CC(C1)(C)C)NCc2ccccc2 2230a_100011207991_100015291786 [1,0,0,0,0,0|2,0,1]=4 34 B18R2.473731 CC1CC(CC(C1)(C)C)NCc2ccccc2 270004a_100011207991_100015611070 [1,0,0,0,0,0|2,0,1]=4 35 B18R2.473731 CC1CC(CC(C1)(C)C)NCc2ccccc2 270004a_100015324214_100000209998 [1,0,0,0,0,0|2,0,1]=4 36 B18R2.473731 CC1CC(CC(C1)(C)C)NCc2cccnc2 207a_100011207991_100000209961 [1,0,0,0,0,0|1,0,1]=3 37 B18R2.473731 CC1CC(CC(C1)(C)C)NCc2cccnc2 2230a_100011207991_100000741622 [1,0,0,0,0,0|1,0,1]=3 38 B18R2.473731 CC1CC(CC(C1)(C)C)NCc2cccnc2 270004a_100000210453_100000209998 [1,0,0,0,0,0|1,0,1]=3 39 B18R2.473731 CC1CC(CC(C1)(C)C)NCc2cccnc2 270004a_100011207991_100000209961 [1,0,0,0,0,0|1,0,1]=3 40 B18R2.473731 CC1CC(CC(C1)(C)C)NCc2cccnn2 2230a_100011207991_100016990269 [1,0,0,0,0,0|2,0,1]=4 41 B18R2.473731 CC1CC(CC(C1)(C)C)NCc2ccnnc2 270004a_100011207991_100011934578 [1,0,0,0,0,0|2,0,1]=4 42 B18R2.473731 CC1CC(CC(C1)(C)C)NCc2cnccn2 2230a_100011207991_100016995436 [1,0,0,0,0,0|2,0,1]=4 43 B18R2.473731 CC1CC(CC(C1)(C)C)NCc2cnccn2 270004a_100011207991_100000749867 [1,0,0,0,0,0|2,0,1]=4 44 B18R2.473731 CC1CC(CC(C1)(C)C)NCc2cncnc2 2230a_100011207991_100015196519 [1,0,0,0,0,0|2,0,1]=4 45 B18R2.473731 CC1CC(CC(C1)(C)C)NCc2cncnc2 270004a_100011207991_100000749868 [1,0,0,0,0,0|2,0,1]=4 46 B18R2.473731 CC1CC(CC(C1)(C)C)NCc2cncnc2 270004a_100011243677_100000209998 [1,0,0,0,0,0|2,0,1]=4 47 B20R2.8980 CC1(CN(C[C@H](O1)CO)CC(=O)c2cccnc2)C 269982a_100020634577_100000757877 [0,1,0,0,0,0|3,0,0]=4 48 B20R2.493348 CC1CC(CC(C1)(C)C)N(C)C(C)c2cccnc2 270004a_100000232774_100000209998 [0,1,0,0,0,0|2,0,1]=4 49 B20R2.493466 CC1CC(CC(C1)(C)C)NC(C)(C)c2cccnc2 270004a_100011376175_100000209998 [0,1,0,0,0,0|2,0,1]=4 50 B20R2.493466 CC1CC(CC(C1)(C)C)NS(=O)(=O)c2ccccc2 270084a_100011207991_100000210345 [0,1,0,0,0,0|3,0,0]=4 51 B20R2.493466 CC1CC(CC(C1)(C)C)NS(=O)(=O)c2ccccc2 274078a_100011207991_100000210345 [0,1,0,0,0,0|3,0,0]=4 52 B20R2.493466 CC1CC(CC(C1)(C)C)NS(=O)(=O)c2ccccc2 40a_100011207991_100000032697 [0,1,0,0,0,0|3,0,0]=4 53 B20R2.493466 CC1CC(CC(C1)(C)C)NS(=O)(=O)c2cccnc2 270084a_100011207991_100000736704 [0,1,0,0,0,0|2,0,0]=3 54 B20R2.493466 CC1CC(CC(C1)(C)C)NS(=O)(=O)c2cccnc2 274078a_100011207991_100000736704 [0,1,0,0,0,0|2,0,0]=3 55 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)Br 11a_100011207991_100000185839 [0,1,0,0,0,0|2,0,0]=3 56 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)Br 1626a_100011207991_100000185839 [0,1,0,0,0,0|2,0,0]=3 57 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)Br 240690a_100011207991_100000185839 [0,1,0,0,0,0|2,0,0]=3 58 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)Br 527a_100011207991_100000185839 [0,1,0,0,0,0|2,0,0]=3 59 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)Cl 11a_100011207991_100000210187 [0,1,0,0,0,0|2,0,0]=3 60 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)Cl 1626a_100011207991_100000210187 [0,1,0,0,0,0|2,0,0]=3 61 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)Cl 240690a_100011207991_100000210187 [0,1,0,0,0,0|2,0,0]=3 62 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)Cl 527a_100011207991_100000210187 [0,1,0,0,0,0|2,0,0]=3 63 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)F 11a_100011207991_100000187176 [0,1,0,0,0,0|2,0,0]=3 64 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)F 1626a_100011207991_100000187176 [0,1,0,0,0,0|2,0,0]=3 65 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)F 240690a_100011207991_100000187176 [0,1,0,0,0,0|2,0,0]=3 66 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)F 527a_100011207991_100000187176 [0,1,0,0,0,0|2,0,0]=3 67 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)I 11a_100011207991_100000187904 [0,1,0,0,0,0|2,0,0]=3 68 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)I 1626a_100011207991_100000187904 [0,1,0,0,0,0|2,0,0]=3 69 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)I 240690a_100011207991_100000187904 [0,1,0,0,0,0|2,0,0]=3 70 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)I 527a_100011207991_100000187904 [0,1,0,0,0,0|2,0,0]=3 71 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)O 240690a_100011207991_100000212099 [0,1,0,0,0,0|2,0,0]=3 72 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(=O)c2ccc(cc2)O 527a_100011207991_100000212099 [0,1,0,0,0,0|2,0,0]=3 73 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(C)c2ccc(nc2)Br 269862a_100011207991_100000684857 [0,1,0,0,0,0|2,0,1]=4 74 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(C)c2ccc(nc2)Cl 269862a_100011207991_100000690552 [0,1,0,0,0,0|2,0,1]=4 75 B20R2.1296659 CC1CC(CC(C1)(C)C)NC(C)c2ccc(nc2)F 269862a_100011207991_100000085738 [0,1,0,0,0,0|2,0,1]=4 76 B20R2.1296659 CC1CC(CC(C1)(C)C)N[C@@H](C)c2ccc(nc2)Br 270004a_100015387476_100000209998 [0,1,0,0,0,0|2,0,1]=4 77 B20R2.1296659 Cc1ccc(cc1)C(=O)NC2CC(CC(C2)(C)C)C 11a_100011207991_100000188618 [0,1,0,0,0,0|2,0,0]=3 78 B20R2.1296659 Cc1ccc(cc1)C(=O)NC2CC(CC(C2)(C)C)C 1626a_100011207991_100000188618 [0,1,0,0,0,0|2,0,0]=3 79 B20R2.1296659 Cc1ccc(cc1)C(=O)NC2CC(CC(C2)(C)C)C 240690a_100011207991_100000188618 [0,1,0,0,0,0|2,0,0]=3 80 B20R2.1296659 Cc1ccc(cc1)C(=O)NC2CC(CC(C2)(C)C)C 527a_100011207991_100000188618 [0,1,0,0,0,0|2,0,0]=3 81 B20R2.1296659 Cc1ccc(cn1)C(C)NC2CC(CC(C2)(C)C)C 269862a_100011207991_100011280547 [0,1,0,0,0,0|2,0,1]=4 82 B20R2.1296659 Cc1ccc(cn1)C(C)NC2CC(CC(C2)(C)C)C 270004a_100011815741_100000209998 [0,1,0,0,0,0|2,0,1]=4 83 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2Br 11a_100011207991_100000188424 [0,1,0,0,0,0|2,0,0]=3 84 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2Br 1626a_100011207991_100000188424 [0,1,0,0,0,0|2,0,0]=3 85 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2Br 240690a_100011207991_100000188424 [0,1,0,0,0,0|2,0,0]=3 86 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2Br 527a_100011207991_100000188424 [0,1,0,0,0,0|2,0,0]=3 87 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2Cl 11a_100011207991_100000185844 [0,1,0,0,0,0|2,0,0]=3 88 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2Cl 1626a_100011207991_100000185844 [0,1,0,0,0,0|2,0,0]=3 89 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2Cl 240690a_100011207991_100000185844 [0,1,0,0,0,0|2,0,0]=3 90 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2Cl 527a_100011207991_100000185844 [0,1,0,0,0,0|2,0,0]=3 91 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2F 11a_100011207991_100000188656 [0,1,0,0,0,0|2,0,0]=3 92 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2F 1626a_100011207991_100000188656 [0,1,0,0,0,0|2,0,0]=3 93 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2F 240690a_100011207991_100000188656 [0,1,0,0,0,0|2,0,0]=3 94 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2F 527a_100011207991_100000188656 [0,1,0,0,0,0|2,0,0]=3 95 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2I 11a_100011207991_100000187884 [0,1,0,0,0,0|2,0,0]=3 96 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2I 1626a_100011207991_100000187884 [0,1,0,0,0,0|2,0,0]=3 97 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2I 240690a_100011207991_100000187884 [0,1,0,0,0,0|2,0,0]=3 98 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2I 527a_100011207991_100000187884 [0,1,0,0,0,0|2,0,0]=3 99 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2O 240690a_100011207991_100015234032 [0,1,0,0,0,0|2,0,0]=3 100 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2[O-] 1626a_100011207991_100009911694 [0,1,0,0,0,0|2,0,0]=3 101 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2[O-] 240690a_100011207991_100009911694 [0,1,0,0,0,0|2,0,0]=3 102 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(=O)c2ccccc2[O-] 527a_100011207991_100009911694 [0,1,0,0,0,0|2,0,0]=3 103 B20R2.7471252 CC1CC(CC(C1)(C)C)NC(C)c2cnccc2Cl 269862a_100011207991_100160469449 [0,1,0,0,0,0|2,0,1]=4 104 B20R2.7471252 Cc1ccccc1C(=O)NC2CC(CC(C2)(C)C)C 11a_100011207991_100000212026 [0,1,0,0,0,0|2,0,0]=3 105 B20R2.7471252 Cc1ccccc1C(=O)NC2CC(CC(C2)(C)C)C 1626a_100011207991_100000212026 [0,1,0,0,0,0|2,0,0]=3 106 B20R2.7471252 Cc1ccccc1C(=O)NC2CC(CC(C2)(C)C)C 240690a_100011207991_100000212026 [0,1,0,0,0,0|2,0,0]=3 107 B20R2.7471252 Cc1ccccc1C(=O)NC2CC(CC(C2)(C)C)C 527a_100011207991_100000212026 [0,1,0,0,0,0|2,0,0]=3 108 B20R2.7471252 Cc1ccncc1C(C)NC2CC(CC(C2)(C)C)C 269862a_100011207991_100000693228 [0,1,0,0,0,0|2,0,1]=4 109 B20R2.7471252 Cc1ncccc1C(C)NC2CC(CC(C2)(C)C)C 269862a_100011207991_100011995960 [0,1,0,0,0,0|2,0,1]=4 110 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)Br 11a_100011207991_100000210664 [0,1,0,0,0,0|2,0,0]=3 111 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)Br 1626a_100011207991_100000210664 [0,1,0,0,0,0|2,0,0]=3 112 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)Br 240690a_100011207991_100000210664 [0,1,0,0,0,0|2,0,0]=3 113 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)Br 527a_100011207991_100000210664 [0,1,0,0,0,0|2,0,0]=3 114 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)Cl 11a_100011207991_100000210390 [0,1,0,0,0,0|2,0,0]=3 115 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)Cl 1626a_100011207991_100000210390 [0,1,0,0,0,0|2,0,0]=3 116 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)Cl 240690a_100011207991_100000210390 [0,1,0,0,0,0|2,0,0]=3 117 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)Cl 527a_100011207991_100000210390 [0,1,0,0,0,0|2,0,0]=3 118 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)F 11a_100011207991_100000210950 [0,1,0,0,0,0|2,0,0]=3 119 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)F 1626a_100011207991_100000210950 [0,1,0,0,0,0|2,0,0]=3 120 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)F 240690a_100011207991_100000210950 [0,1,0,0,0,0|2,0,0]=3 121 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)F 527a_100011207991_100000210950 [0,1,0,0,0,0|2,0,0]=3 122 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)I 11a_100011207991_100000184098 [0,1,0,0,0,0|2,0,0]=3 123 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)I 1626a_100011207991_100000184098 [0,1,0,0,0,0|2,0,0]=3 124 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)I 240690a_100011207991_100000184098 [0,1,0,0,0,0|2,0,0]=3 125 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)I 527a_100011207991_100000184098 [0,1,0,0,0,0|2,0,0]=3 126 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)O 240690a_100011207991_100000183914 [0,1,0,0,0,0|2,0,0]=3 127 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(=O)c2cccc(c2)O 527a_100011207991_100000183914 [0,1,0,0,0,0|2,0,0]=3 128 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(C)c2cncc(c2)Br 269862a_100011207991_100011216243 [0,1,0,0,0,0|2,0,1]=4 129 B20R2.10475140 CC1CC(CC(C1)(C)C)NC(C)c2cncc(c2)F 269862a_100011207991_100000758212 [0,1,0,0,0,0|2,0,1]=4 130 B20R2.10475140 CC1CC(CC(C1)(C)C)N[C@H](C)c2cncc(c2)Br 270004a_100012350620_100000209998 [0,1,0,0,0,0|2,0,1]=4 131 B20R2.10475140 Cc1cccc(c1)C(=O)NC2CC(CC(C2)(C)C)C 11a_100011207991_100000189346 [0,1,0,0,0,0|2,0,0]=3 132 B20R2.10475140 Cc1cccc(c1)C(=O)NC2CC(CC(C2)(C)C)C 1626a_100011207991_100000189346 [0,1,0,0,0,0|2,0,0]=3 133 B20R2.10475140 Cc1cccc(c1)C(=O)NC2CC(CC(C2)(C)C)C 240690a_100011207991_100000189346 [0,1,0,0,0,0|2,0,0]=3 134 B20R2.10475140 Cc1cccc(c1)C(=O)NC2CC(CC(C2)(C)C)C 527a_100011207991_100000189346 [0,1,0,0,0,0|2,0,0]=3 135 B20R2.10475140 Cc1cncc(c1)C(C)NC2CC(CC(C2)(C)C)C 269862a_100011207991_100000702010 [0,1,0,0,0,0|2,0,1]=4 136 B20R2.11072882 CC(NC1CC(CC(C1)(C)C)(C)C)c2cccnc2 269862a_100000697545_100000210468 [0,1,0,0,0,0|2,0,1]=4 137 B20R2.11072882 CC(NC1CC(CC(C1)(C)C)(C)C)c2cccnc2 270004a_100000195435_100000033339 [0,1,0,0,0,0|2,0,1]=4 138 B20R2.11072882 CC1(CC(CC(C1)(C)C)NC(=O)c2ccccc2)C 11a_100000697545_100000185807 [0,1,0,0,0,0|2,0,0]=3 139 B20R2.11072882 CC1(CC(CC(C1)(C)C)NC(=O)c2ccccc2)C 1626a_100000697545_100000185807 [0,1,0,0,0,0|2,0,0]=3 140 B20R2.11072882 CC1(CC(CC(C1)(C)C)NC(=O)c2ccccc2)C 240690a_100000697545_100000185807 [0,1,0,0,0,0|2,0,0]=3 141 B20R2.11072882 CC1(CC(CC(C1)(C)C)NC(=O)c2ccccc2)C 527a_100000697545_100000185807 [0,1,0,0,0,0|2,0,0]=3 142 B20R2.12067577 CCC(NC1CC(CC(C1)(C)C)C)c2cccnc2 269862a_100011207991_100011218761 [0,1,0,0,0,0|2,0,1]=4 143 B20R2.12067577 CCC(NC1CC(CC(C1)(C)C)C)c2cccnc2 270004a_100000246009_100000209998 [0,1,0,0,0,0|2,0,1]=4 144 B18R1.4422 CC(C)(C)CN(CCO)CC(=O)c1cccnc1 269982a_100000752879_100000757877 [0,0,1,0,0,0|3,0,0]=4 145 B18R1.4422 CCCN(CC(=O)c1ccccc1)CC(C)(C)C 269982a_107254831479_100000211460 [0,0,1,0,0,0|3,0,0]=4 146 B18R1.4422 CCCN(CC(=O)c1cccnc1)CC(C)(C)C 269982a_107254831479_100000757877 [0,0,1,0,0,0|2,0,0]=3 147 B18R1.21107 CC(C)CC(CC(C)C)NC(=O)c1ccccc1 11a_100000751966_100000185807 [0,0,1,0,0,0|2,0,0]=3 148 B18R1.21107 CC(C)CC(CC(C)C)NC(=O)c1ccccc1 1626a_100000751966_100000185807 [0,0,1,0,0,0|2,0,0]=3 149 B18R1.21107 CC(C)CC(CC(C)C)NC(=O)c1ccccc1 240690a_100000751966_100000185807 [0,0,1,0,0,0|2,0,0]=3 150 B18R1.21107 CC(C)CC(CC(C)C)NC(=O)c1ccccc1 527a_100000751966_100000185807 [0,0,1,0,0,0|2,0,0]=3 151 B18R1.21107 CC(C)CC(CC(C)C)NC(C)c1cccnc1 269862a_100000751966_100000210468 [0,0,1,0,0,0|2,0,1]=4 152 B18R1.21107 CC(C)CC(CC(C)C)OC(C)c1cnccn1 7a_100011219621_200000703233 [0,0,1,0,0,0|2,0,1]=4 153 B18R1.21107 CC(C)CN(CC(=O)c1ccccc1)CC(C)C 269982a_100000201412_100000211460 [0,0,1,0,0,0|3,0,0]=4 154 B18R1.21107 CC(C)CN(CC(=O)c1cccnc1)CC(C)C 269982a_100000201412_100000757877 [0,0,1,0,0,0|2,0,0]=3 155 B18R1.21212 CC(C)CC(C)(C)NCCC(=O)c1ccccc1 2230a_100011346068_100000750707 [0,0,1,0,0,0|3,0,0]=4 156 B18R1.21411 CC(C)(C)CC(=O)CCOC(=O)c1ccccc1 1458a_100000211214_100000184176 [0,0,1,0,0,0|2,0,1]=4 157 B18R1.21411 CC(CC(C)(C)C)OCCC(=O)c1ccccc1 7a_200011218616_100000750707 [0,0,1,0,0,0|3,0,0]=4 158 B18R1.21411 CC(CC(C)(C)C)OCOC(=O)c1ccccc1 7a_200011218616_100000073877 [0,0,1,0,0,0|2,0,0]=3 159 B18R1.21411 CC(CCOC(C)c1cnccn1)CC(C)(C)C 7a_200011215431_200000703233 [0,0,1,0,0,0|2,0,1]=4 160 B18R1.21411 CC(COCC(=O)c1ccccc1)CC(C)(C)C 7a_200011215325_100000211460 [0,0,1,0,0,0|3,0,0]=4 161 B18R1.21411 CN(CCCC(=O)c1ccccc1)CC(C)(C)C 2230a_100000742839_100000211006 [0,0,1,0,0,0|3,0,0]=4 162 B18R1.21411 CN(CCCC(=O)c1ccccc1)CC(C)(C)C 269982a_100000742839_100000211006 [0,0,1,0,0,0|3,0,0]=4 163 B18R1.21411 CN(CCNC(=O)c1ccccc1)CC(C)(C)C 269982a_100000742839_200011215302 [0,0,1,0,0,0|3,0,0]=4 164 B18R1.21411 CN(CCOC(=O)c1ccccc1)CC(C)(C)C 269982a_100000742839_100009812718 [0,0,1,0,0,0|2,0,0]=3 165 B18R1.21411 CN(CCOC(=O)c1ccccc1)CC(C)(C)O 269982a_100000755907_100009812718 [0,0,1,0,0,0|3,0,0]=4 166 B18R1.21411 CN(CCOC(=O)c1ccccc1)C[Si](C)(C)C 269982a_200020589227_100009812718 [0,0,1,0,0,0|2,1,0]=4 167 B18R1.21411 C[C@@H](CC(C)(C)C)NCCC(=O)c1ccccc1 2230a_106358413534_100000750707 [0,0,1,0,0,0|3,0,0]=4 168 B18R2.30242 CC(NC1CC(CC1C)(C)C)c2cccnc2 270004a_100000195435_100000720090 [0,0,0,0,1,0|2,0,1]=4 169 B18R2.30703 CC1CC(C(C1)(C)C)NC(C)c2cccnc2 269862a_100000195435_100000042959 [0,0,0,0,1,0|2,0,1]=4 170 B20R2.493233 CC1CC(CC(C1)(C)C)NC(=O)C[n+]2ccccc2 11a_100011207991_200000086051 [0,0,0,0,0,1|3,0,0]=4 171 B20R2.493233 CC1CC(CC(C1)(C)C)NC(=O)C[n+]2ccccc2 240690a_100011207991_200000086051 [0,0,0,0,0,1|3,0,0]=4 172 B20R2.493233 CC1CC(CC(C1)(C)C)NC(=O)C[n+]2ccccc2 527a_100011207991_200000086051 [0,0,0,0,0,1|3,0,0]=4 173 B20R2.493233 CC1CC(CC(C1)(C)C)NC(=O)Cc2ccccn2 11a_100011207991_100000233486 [0,0,0,0,0,1|3,0,0]=4 174 B20R2.493233 CC1CC(CC(C1)(C)C)NC(=O)Cc2cccnc2 11a_100011207991_100000737805 [0,0,0,0,0,1|1,0,0]=2 175 B20R2.493233 CC1CC(CC(C1)(C)C)NC(=O)Cc2cccnc2 240690a_100011207991_100000737805 [0,0,0,0,0,1|1,0,0]=2 176 B20R2.493233 CC1CC(CC(C1)(C)C)NC(=O)Cc2cccnc2 527a_100011207991_100000737805 [0,0,0,0,0,1|1,0,0]=2 177 B20R2.493233 CC1CC(CC(C1)(C)C)NC(=O)Cc2ccncc2 11a_100011207991_100011201483 [0,0,0,0,0,1|3,0,0]=4 178 B20R2.493233 CC1CC(CC(C1)(C)C)NC(=O)Cc2ccncc2 240690a_100011207991_100011201483 [0,0,0,0,0,1|3,0,0]=4 179 B20R2.493233 CC1CC(CC(C1)(C)C)NC(=O)Cc2cnccn2 11a_100011207991_100000726051 [0,0,0,0,0,1|2,0,0]=3 180 B20R2.493233 CC1CC(CC(C1)(C)C)NC(=O)Cc2cnccn2 240690a_100011207991_100000726051 [0,0,0,0,0,1|2,0,0]=3 181 B20R2.493233 CC1CC(CC(C1)(C)C)NC(=O)Cc2cnccn2 527a_100011207991_100000726051 [0,0,0,0,0,1|2,0,0]=3 182 B20R2.493233 CC1CC(CC(C1)(C)C)NC(=O)Cc2cncnc2 11a_100011207991_100000721575 [0,0,0,0,0,1|2,0,0]=3 183 B20R2.493233 CC1CC(CC(C1)(C)C)NC(=O)Cc2cncnc2 240690a_100011207991_100000721575 [0,0,0,0,0,1|2,0,0]=3 184 B20R2.493233 CC1CC(CC(C1)(C)C)NC(=O)Cc2cncnc2 527a_100011207991_100000721575 [0,0,0,0,0,1|2,0,0]=3 185 B20R2.493233 CC1CC(CC(C1)(C)C)NC(=O)Nc2ccccc2 2430a_100000106764_100011207991 [0,0,0,0,0,1|2,0,0]=3 186 B20R2.493233 CC1CC(CC(C1)(C)C)NC(C)Cc2cccnc2 270004a_100011207255_100000209998 [0,0,0,0,0,1|2,0,1]=4 187 B20R2.493233 CC1CC(CC(C1)(C)C)NC(C)Cc2cccnc2 270004a_100011207991_100015187140 [0,0,0,0,0,1|2,0,1]=4 188 B20R2.493353 CC1CC(=NNC(=O)c2ccccc2)CC(C1)(C)C 4a_100000184135_100000209998 [0,0,0,0,0,1|2,0,1]=4 189 B20R2.493353 CC1CC(=NNC(=O)c2cccnc2)CC(C1)(C)C 4a_100000189771_100000209998 [0,0,0,0,0,1|1,0,1]=3 190 B20R2.493353 CC1CC(=NNC(=O)c2cnccn2)CC(C1)(C)C 4a_100000189795_100000209998 [0,0,0,0,0,1|2,0,1]=4 191 B20R2.493353 CC1CC(CC(C1)(C)C)NCC(O)c2cccnc2 270004a_100020605170_100000209998 [0,0,0,0,0,1|1,0,2]=4 192 B20R2.588656 CC1(CC(CCN(C1)CC(=O)c2cccnc2)O)C 269982a_100000061064_100000757877 [0,0,0,0,0,1|3,0,0]=4 193 B17R1.685 CCN(CC(=O)c1cccnc1)CC(C)(C)C 269982a_100000732750_100000757877 [1,0,1,0,0,0|2,0,0]=4 194 B17R1.16148 CC(C)CC(CC(C)C)NCc1cccnc1 207a_100000751966_100000209961 [1,0,1,0,0,0|1,0,1]=4 195 B17R1.16148 CC(C)CC(CC(C)C)NCc1cccnc1 2230a_100000751966_100000741622 [1,0,1,0,0,0|1,0,1]=4 196 B17R1.16148 CC(C)CC(CC(C)C)NCc1cccnc1 270004a_100000751966_100000209961 [1,0,1,0,0,0|1,0,1]=4 197 B17R1.16148 CC(C)CC(CC(C)C)OCc1ccccc1 34a_100011219621_100015291786 [1,0,1,0,0,0|1,0,1]=4 198 B17R1.16148 CC(C)CC(CC(C)C)OCc1ccccc1 7a_100011219621_100000211182 [1,0,1,0,0,0|1,0,1]=4 199 B17R1.16148 CC(C)CC(CC(C)C)OCc1cccnc1 34a_100011219621_100000733263 [1,0,1,0,0,0|0,0,1]=3 200 B17R1.16148 CC(C)CC(CC(C)C)OCc1cccnc1 7a_100011219621_100000741622 [1,0,1,0,0,0|0,0,1]=3 201 B17R1.16148 CC(C)CC(CC(C)C)OCc1cccnn1 34a_100011219621_100016990269 [1,0,1,0,0,0|1,0,1]=4 202 B17R1.16148 CC(C)CC(CC(C)C)OCc1cccnn1 7a_100011219621_100016990269 [1,0,1,0,0,0|1,0,1]=4 203 B17R1.16148 CC(C)CC(CC(C)C)OCc1cnccn1 34a_100011219621_100016995436 [1,0,1,0,0,0|1,0,1]=4 204 B17R1.16148 CC(C)CC(CC(C)C)OCc1cnccn1 7a_100011219621_100016995436 [1,0,1,0,0,0|1,0,1]=4 205 B17R1.16148 CC(C)CC(CC(C)C)OCc1cncnc1 34a_100011219621_100015196519 [1,0,1,0,0,0|1,0,1]=4 206 B17R1.16148 CC(C)CC(CC(C)C)OCc1cncnc1 7a_100011219621_100015196519 [1,0,1,0,0,0|1,0,1]=4 207 B17R1.4241 CCCC(C)(C)OCOC(=O)c1ccccc1 7a_100000748436_100000073877 [1,0,1,0,0,0|2,0,0]=4 208 B17R1.8305 CC(C)CC(C)OCOC(=O)c1ccccc1 7a_100000211805_100000073877 [1,0,1,0,0,0|2,0,0]=4 209 B17R1.8305 CC(C)CC(C)SCOC(=O)c1ccccc1 62a_100000073877_100000731052 [1,0,1,0,0,0|2,0,0]=4 210 B17R1.8305 CC(C)CC(C)SCOC(=O)c1ccccc1 62a_100000731052_100000073877 [1,0,1,0,0,0|2,0,0]=4 211 B17R1.8305 CC(C)CN(C)CCOC(=O)c1ccccc1 269982a_100000747067_100009812718 [1,0,1,0,0,0|2,0,0]=4 212 B17R1.675 CC(C)CCCC(C)NC(=O)c1ccccc1 11a_100000210607_100000185807 [1,0,1,0,0,0|2,0,0]=4 213 B17R1.675 CC(C)CCCC(C)NC(=O)c1ccccc1 1626a_100000210607_100000185807 [1,0,1,0,0,0|2,0,0]=4 214 B17R1.675 CC(C)CCCC(C)NC(=O)c1ccccc1 240690a_100000210607_100000185807 [1,0,1,0,0,0|2,0,0]=4 215 B17R1.675 CC(C)CCCC(C)NC(=O)c1ccccc1 527a_100000210607_100000185807 [1,0,1,0,0,0|2,0,0]=4 216 B17R1.16635 CC(CCOCc1ccccc1)CC(C)(C)C 7a_200011215431_100000211182 [1,0,1,0,0,0|1,0,1]=4 217 B17R1.16635 CC(CCOCc1cccnc1)CC(C)(C)C 7a_200011215431_100000741622 [1,0,1,0,0,0|0,0,1]=3 218 B17R1.16635 CC(CCOCc1cccnn1)CC(C)(C)C 7a_200011215431_100016990269 [1,0,1,0,0,0|1,0,1]=4 219 B17R1.16635 CC(CCOCc1cnccn1)CC(C)(C)C 7a_200011215431_100016995436 [1,0,1,0,0,0|1,0,1]=4 220 B17R1.16635 CC(CCOCc1cncnc1)CC(C)(C)C 7a_200011215431_100015196519 [1,0,1,0,0,0|1,0,1]=4 221 B17R1.16645 CC(C)(C)CCOCOC(=O)c1ccccc1 7a_100000765024_100000073877 [1,0,1,0,0,0|2,0,0]=4 222 B17R1.16645 CC(C)(C)CCSCOC(=O)c1ccccc1 62a_100000073877_100000755188 [1,0,1,0,0,0|2,0,0]=4 223 B17R1.16645 CC(C)(C)CCSCOC(=O)c1ccccc1 62a_100000755188_100000073877 [1,0,1,0,0,0|2,0,0]=4 224 B17R1.16645 CC(C)(C)CSCCOC(=O)c1ccccc1 62a_100009812718_100011219605 [1,0,1,0,0,0|2,0,0]=4 225 B17R1.16645 CC(C)(C)CSCCOC(=O)c1ccccc1 62a_100011219605_100009812718 [1,0,1,0,0,0|2,0,0]=4 226 B17R1.16645 CC(C)(C)OCCCOC(=O)c1ccccc1 34a_100015890283_200009892979 [1,0,1,0,0,0|2,0,0]=4 227 B17R1.16645 CC(C)(C)OCCCOC(=O)c1ccccc1 7a_100015890283_200009892979 [1,0,1,0,0,0|2,0,0]=4 228 B17R1.16645 CC(C)(C)SCCCOC(=O)c1ccccc1 62a_100000211941_200009892979 [1,0,1,0,0,0|2,0,0]=4 229 B17R1.16645 CC(C)(C)SCCCOC(=O)c1ccccc1 62a_200009892979_100000211941 [1,0,1,0,0,0|2,0,0]=4 230 B17R1.184707 C/C=C/C=CC(=O)NC1CC(CC(C1)(C)C)C 11a_100011207991_100000185730 [1,0,1,0,0,0|1,0,1]=4 231 B17R1.184707 C/C=C/C=CC(=O)NC1CC(CC(C1)(C)C)C 1626a_100011207991_100000185730 [1,0,1,0,0,0|1,0,1]=4 232 B17R1.184707 C/C=C/C=CC(=O)NC1CC(CC(C1)(C)C)C 240690a_100011207991_100000185730 [1,0,1,0,0,0|1,0,1]=4 233 B17R2.3212 CC1CC(CC(C1)NCc2cccnc2)C 270004a_100000210453_100000753413 [2,0,0,0,0,0|1,0,1]=4 234 B17R2.3212 CC1CC(CC(O1)C)OCc2cccnc2 34a_200000691454_100000733263 [2,0,0,0,0,0|1,0,1]=4 235 B17R2.3212 CC1CC(CC(O1)C)OCc2cccnc2 7a_200000691454_100000741622 [2,0,0,0,0,0|1,0,1]=4 236 B17R2.5293 CC1CCCC(C1)NC(=O)c2ccccc2 11a_100011194320_100000185807 [2,0,0,0,0,0|2,0,0]=4 237 B17R2.5293 CC1CCCC(C1)NC(=O)c2ccccc2 1626a_100011194320_100000185807 [2,0,0,0,0,0|2,0,0]=4 238 B17R2.5293 CC1CCCC(C1)NC(=O)c2ccccc2 240690a_100011194320_100000185807 [2,0,0,0,0,0|2,0,0]=4 239 B17R2.5293 CC1CCCC(C1)NC(=O)c2ccccc2 527a_100011194320_100000185807 [2,0,0,0,0,0|2,0,0]=4 240 B17R2.5293 C[C@H]1CCCN(C1)CC(=O)c2cccnc2 269982a_100000717927_100000757877 [2,0,0,0,0,0|2,0,0]=4 241 B17R2.24587 CC1(CC(CCO1)OCc2cccnc2)C 34a_100000693217_100000733263 [2,0,0,0,0,0|1,0,1]=4 242 B17R2.24587 CC1(CC(CCO1)OCc2cccnc2)C 7a_100000693217_100000741622 [2,0,0,0,0,0|1,0,1]=4 243 B17R2.24587 CC1(CCCC(C1)NCc2cccnc2)C 270004a_100000210453_100000031663 [2,0,0,0,0,0|1,0,1]=4 244 B17R2.24587 CC1(CCCC(C1)OCc2ccccc2)C 7a_100011995757_100000211182 [2,0,0,0,0,0|1,0,1]=4 245 B17R2.24587 CC1(CCCC(C1)OCc2cccnc2)C 7a_100011995757_100000741622 [2,0,0,0,0,0|0,0,1]=3 246 B17R2.24587 CC1(CCCC(C1)OCc2cccnn2)C 7a_100011995757_100016990269 [2,0,0,0,0,0|1,0,1]=4 247 B17R2.24587 CC1(CCCC(C1)OCc2cnccn2)C 7a_100011995757_100016995436 [2,0,0,0,0,0|1,0,1]=4 248 B17R2.24587 CC1(CCCC(C1)OCc2cncnc2)C 7a_100011995757_100015196519 [2,0,0,0,0,0|1,0,1]=4 249 B19R1.9436 CC(C)(C)CN(CCCO)CC(=O)c1cccnc1 269982a_100000752882_100000757877 [0,1,1,0,0,0|2,0,0]=4 250 B19R1.73507 CCCN(CC(=O)c1ccc(nc1)C)CC(C)(C)C 269982a_107254831479_100012027583 [0,1,1,0,0,0|2,0,0]=4 251 B19R1.73507 CCCN(CC(=O)c1ccc(nc1)Cl)CC(C)(C)C 269982a_107254831479_100009864725 [0,1,1,0,0,0|2,0,0]=4 252 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)Br 11a_100000751966_100000185839 [0,1,1,0,0,0|2,0,0]=4 253 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)Br 1626a_100000751966_100000185839 [0,1,1,0,0,0|2,0,0]=4 254 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)Br 240690a_100000751966_100000185839 [0,1,1,0,0,0|2,0,0]=4 255 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)Br 527a_100000751966_100000185839 [0,1,1,0,0,0|2,0,0]=4 256 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)Cl 11a_100000751966_100000210187 [0,1,1,0,0,0|2,0,0]=4 257 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)Cl 1626a_100000751966_100000210187 [0,1,1,0,0,0|2,0,0]=4 258 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)Cl 240690a_100000751966_100000210187 [0,1,1,0,0,0|2,0,0]=4 259 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)Cl 527a_100000751966_100000210187 [0,1,1,0,0,0|2,0,0]=4 260 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)F 11a_100000751966_100000187176 [0,1,1,0,0,0|2,0,0]=4 261 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)F 1626a_100000751966_100000187176 [0,1,1,0,0,0|2,0,0]=4 262 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)F 240690a_100000751966_100000187176 [0,1,1,0,0,0|2,0,0]=4 263 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)F 527a_100000751966_100000187176 [0,1,1,0,0,0|2,0,0]=4 264 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)I 11a_100000751966_100000187904 [0,1,1,0,0,0|2,0,0]=4 265 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)I 1626a_100000751966_100000187904 [0,1,1,0,0,0|2,0,0]=4 266 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)I 240690a_100000751966_100000187904 [0,1,1,0,0,0|2,0,0]=4 267 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)I 527a_100000751966_100000187904 [0,1,1,0,0,0|2,0,0]=4 268 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)O 240690a_100000751966_100000212099 [0,1,1,0,0,0|2,0,0]=4 269 B19R1.42793 CC(C)CC(CC(C)C)NC(=O)c1ccc(cc1)O 527a_100000751966_100000212099 [0,1,1,0,0,0|2,0,0]=4 270 B19R1.42793 CC(C)CN(CC(=O)c1ccc(nc1)Cl)CC(C)C 269982a_100000201412_100009864725 [0,1,1,0,0,0|2,0,0]=4 271 B19R1.42793 Cc1ccc(cc1)C(=O)NC(CC(C)C)CC(C)C 11a_100000751966_100000188618 [0,1,1,0,0,0|2,0,0]=4 272 B19R1.42793 Cc1ccc(cc1)C(=O)NC(CC(C)C)CC(C)C 1626a_100000751966_100000188618 [0,1,1,0,0,0|2,0,0]=4 273 B19R1.42793 Cc1ccc(cc1)C(=O)NC(CC(C)C)CC(C)C 240690a_100000751966_100000188618 [0,1,1,0,0,0|2,0,0]=4 274 B19R1.42793 Cc1ccc(cc1)C(=O)NC(CC(C)C)CC(C)C 527a_100000751966_100000188618 [0,1,1,0,0,0|2,0,0]=4 275 B19R1.42793 Cc1ccc(cn1)C(=O)CN(CC(C)C)CC(C)C 269982a_100000201412_100012027583 [0,1,1,0,0,0|2,0,0]=4 276 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1Br 11a_100000751966_100000188424 [0,1,1,0,0,0|2,0,0]=4 277 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1Br 1626a_100000751966_100000188424 [0,1,1,0,0,0|2,0,0]=4 278 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1Br 240690a_100000751966_100000188424 [0,1,1,0,0,0|2,0,0]=4 279 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1Br 527a_100000751966_100000188424 [0,1,1,0,0,0|2,0,0]=4 280 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1Cl 11a_100000751966_100000185844 [0,1,1,0,0,0|2,0,0]=4 281 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1Cl 1626a_100000751966_100000185844 [0,1,1,0,0,0|2,0,0]=4 282 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1Cl 240690a_100000751966_100000185844 [0,1,1,0,0,0|2,0,0]=4 283 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1Cl 527a_100000751966_100000185844 [0,1,1,0,0,0|2,0,0]=4 284 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1F 11a_100000751966_100000188656 [0,1,1,0,0,0|2,0,0]=4 285 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1F 1626a_100000751966_100000188656 [0,1,1,0,0,0|2,0,0]=4 286 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1F 240690a_100000751966_100000188656 [0,1,1,0,0,0|2,0,0]=4 287 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1F 527a_100000751966_100000188656 [0,1,1,0,0,0|2,0,0]=4 288 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1I 11a_100000751966_100000187884 [0,1,1,0,0,0|2,0,0]=4 289 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1I 1626a_100000751966_100000187884 [0,1,1,0,0,0|2,0,0]=4 290 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1I 240690a_100000751966_100000187884 [0,1,1,0,0,0|2,0,0]=4 291 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1I 527a_100000751966_100000187884 [0,1,1,0,0,0|2,0,0]=4 292 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1O 240690a_100000751966_100015234032 [0,1,1,0,0,0|2,0,0]=4 293 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1[O-] 1626a_100000751966_100009911694 [0,1,1,0,0,0|2,0,0]=4 294 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1[O-] 240690a_100000751966_100009911694 [0,1,1,0,0,0|2,0,0]=4 295 B19R1.157268 CC(C)CC(CC(C)C)NC(=O)c1ccccc1[O-] 527a_100000751966_100009911694 [0,1,1,0,0,0|2,0,0]=4 296 B19R1.157268 Cc1ccccc1C(=O)NC(CC(C)C)CC(C)C 11a_100000751966_100000212026 [0,1,1,0,0,0|2,0,0]=4 297 B19R1.157268 Cc1ccccc1C(=O)NC(CC(C)C)CC(C)C 1626a_100000751966_100000212026 [0,1,1,0,0,0|2,0,0]=4 298 B19R1.157268 Cc1ccccc1C(=O)NC(CC(C)C)CC(C)C 240690a_100000751966_100000212026 [0,1,1,0,0,0|2,0,0]=4 299 B19R1.157268 Cc1ccccc1C(=O)NC(CC(C)C)CC(C)C 527a_100000751966_100000212026 [0,1,1,0,0,0|2,0,0]=4 300 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)Br 11a_100000751966_100000210664 [0,1,1,0,0,0|2,0,0]=4 301 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)Br 1626a_100000751966_100000210664 [0,1,1,0,0,0|2,0,0]=4 302 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)Br 240690a_100000751966_100000210664 [0,1,1,0,0,0|2,0,0]=4 303 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)Br 527a_100000751966_100000210664 [0,1,1,0,0,0|2,0,0]=4 304 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)Cl 11a_100000751966_100000210390 [0,1,1,0,0,0|2,0,0]=4 305 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)Cl 1626a_100000751966_100000210390 [0,1,1,0,0,0|2,0,0]=4 306 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)Cl 240690a_100000751966_100000210390 [0,1,1,0,0,0|2,0,0]=4 307 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)Cl 527a_100000751966_100000210390 [0,1,1,0,0,0|2,0,0]=4 308 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)F 11a_100000751966_100000210950 [0,1,1,0,0,0|2,0,0]=4 309 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)F 1626a_100000751966_100000210950 [0,1,1,0,0,0|2,0,0]=4 310 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)F 240690a_100000751966_100000210950 [0,1,1,0,0,0|2,0,0]=4 311 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)F 527a_100000751966_100000210950 [0,1,1,0,0,0|2,0,0]=4 312 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)I 11a_100000751966_100000184098 [0,1,1,0,0,0|2,0,0]=4 313 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)I 1626a_100000751966_100000184098 [0,1,1,0,0,0|2,0,0]=4 314 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)I 240690a_100000751966_100000184098 [0,1,1,0,0,0|2,0,0]=4 315 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)I 527a_100000751966_100000184098 [0,1,1,0,0,0|2,0,0]=4 316 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)O 240690a_100000751966_100000183914 [0,1,1,0,0,0|2,0,0]=4 317 B19R1.254328 CC(C)CC(CC(C)C)NC(=O)c1cccc(c1)O 527a_100000751966_100000183914 [0,1,1,0,0,0|2,0,0]=4 318 B19R1.254328 Cc1cccc(c1)C(=O)NC(CC(C)C)CC(C)C 11a_100000751966_100000189346 [0,1,1,0,0,0|2,0,0]=4 319 B19R1.254328 Cc1cccc(c1)C(=O)NC(CC(C)C)CC(C)C 1626a_100000751966_100000189346 [0,1,1,0,0,0|2,0,0]=4 320 B19R1.254328 Cc1cccc(c1)C(=O)NC(CC(C)C)CC(C)C 240690a_100000751966_100000189346 [0,1,1,0,0,0|2,0,0]=4 321 B19R1.254328 Cc1cccc(c1)C(=O)NC(CC(C)C)CC(C)C 527a_100000751966_100000189346 [0,1,1,0,0,0|2,0,0]=4 322 B19R1.282985 CC(C)CC(CC(C)C)NS(=O)(=O)c1cccnc1 270084a_100000751966_100000736704 [0,1,1,0,0,0|2,0,0]=4 323 B19R1.282985 CC(C)CC(CC(C)C)NS(=O)(=O)c1cccnc1 274078a_100000751966_100000736704 [0,1,1,0,0,0|2,0,0]=4 324 B19R1.107927 CCC(C)(CC(C)C)OCOC(=O)c1ccccc1 7a_200011215086_100000073877 [0,1,1,0,0,0|2,0,0]=4 325 B19R1.1301219 CC(C)(C)CC(C)(C)OCOC(=O)c1ccccc1 7a_100000065652_100000073877 [0,1,1,0,0,0|2,0,0]=4 326 B19R1.26019 CC(C)CC(C)C(=O)[C@@H](C)OC(=O)c1ccccc1 1458a_200035542198_100000731052 [0,1,1,0,0,0|1,0,1]=4 327 B19R1.18658 CN(CCOC(=O)c1ccccc1)CC(C)(C)CO 269982a_100000732702_100009812718 [0,1,1,0,0,0|2,0,0]=4 328 B19R1.18658 COC(C)(C)CC(C)OCOC(=O)c1ccccc1 7a_200011252547_100000073877 [0,1,1,0,0,0|2,0,0]=4 329 B19R1.26609 CC(COC(=O)c1ccccc1)N(C)CC(C)(C)C 270004a_100000742839_100000000904 [0,1,1,0,0,0|2,0,0]=4 330 B19R1.62629 CCN(CCOC(=O)c1ccccc1)CC(C)(C)C 269982a_100000732750_100009812718 [0,1,1,0,0,0|2,0,0]=4 331 B19R1.86052 CC(N(C)CCOC(=O)c1ccccc1)C(C)(C)C 269982a_100000745498_100009812718 [0,1,1,0,0,0|2,0,0]=4 332 B19R2.159 CC1CC(CN(C1)CC(=O)c2cccnc2)CO 269982a_200012821172_100000757877 [1,1,0,0,0,0|2,0,0]=4 333 B19R2.1291524 CC1CC(CN(C1)CC(=O)c2ccc(nc2)Cl)C 269982a_100000210448_100009864725 [1,1,0,0,0,0|2,0,0]=4 334 B19R2.1291524 Cc1ccc(cn1)C(=O)CN2CC(CC(C2)C)C 269982a_100000210448_100012027583 [1,1,0,0,0,0|2,0,0]=4 335 B19R2.12066 CC1(CCCN(C1)CC(=O)c2ccc(nc2)Cl)C 269982a_100000716857_100009864725 [1,1,0,0,0,0|2,0,0]=4 336 B19R2.12066 Cc1ccc(cn1)C(=O)CN2CCCC(C2)(C)C 269982a_100000716857_100012027583 [1,1,0,0,0,0|2,0,0]=4 337 B19R2.12410 CC1(CN(CCC1O)CC(=O)c2cccnc2)C 269982a_100000709803_100000757877 [1,1,0,0,0,0|2,0,0]=4 338 B19R2.12410 CC1(C[C@H](CC[C@@H]1O)NC(=O)c2ccccc2)C 11a_206256553148_100000185807 [1,1,0,0,0,0|2,0,0]=4 339 B19R2.12410 CC1(C[C@H](CC[C@@H]1O)NC(=O)c2ccccc2)C 1626a_206256553148_100000185807 [1,1,0,0,0,0|2,0,0]=4 340 B19R2.12410 CC1(C[C@H](CC[C@@H]1O)NC(=O)c2ccccc2)C 240690a_206256553148_100000185807 [1,1,0,0,0,0|2,0,0]=4 341 B19R2.12410 CC1(C[C@H](CC[C@@H]1O)NC(=O)c2ccccc2)C 527a_206256553148_100000185807 [1,1,0,0,0,0|2,0,0]=4 342 B19R2.223621 CCC1(CCCN(C1)CC(=O)c2cccnc2)C 269982a_100000756310_100000757877 [1,1,0,0,0,0|2,0,0]=4 343 B19R2.483224 CC1CC(CC(C1)(C)C)NCc2cncc(c2)Br 207a_100011207991_100000687066 [1,1,0,0,0,0|1,0,1]=4 344 B19R2.483224 CC1CC(CC(C1)(C)C)NCc2cncc(c2)Br 2230a_100011207991_100000738771 [1,1,0,0,0,0|1,0,1]=4 345 B19R2.483224 CC1CC(CC(C1)(C)C)NCc2cncc(c2)Br 270004a_100011207991_100000687066 [1,1,0,0,0,0|1,0,1]=4 346 B19R2.483224 CC1CC(CC(C1)(C)C)NCc2cncc(c2)Br 270004a_100011249555_100000209998 [1,1,0,0,0,0|1,0,1]=4 347 B19R2.483224 CC1CC(CC(C1)(C)C)NCc2cncc(c2)Cl 207a_100011207991_100000088910 [1,1,0,0,0,0|1,0,1]=4 348 B19R2.483224 CC1CC(CC(C1)(C)C)NCc2cncc(c2)Cl 2230a_100011207991_100016992070 [1,1,0,0,0,0|1,0,1]=4 349 B19R2.483224 CC1CC(CC(C1)(C)C)NCc2cncc(c2)Cl 270004a_100011207991_100000088910 [1,1,0,0,0,0|1,0,1]=4 350 B19R2.483224 CC1CC(CC(C1)(C)C)NCc2cncc(c2)Cl 270004a_200020614424_100000209998 [1,1,0,0,0,0|1,0,1]=4 351 B19R2.483224 CC1CC(CC(C1)(C)C)NCc2cncc(c2)F 207a_100011207991_100011361476 [1,1,0,0,0,0|1,0,1]=4 352 B19R2.483224 CC1CC(CC(C1)(C)C)NCc2cncc(c2)F 2230a_100011207991_100000725299 [1,1,0,0,0,0|1,0,1]=4 353 B19R2.483224 CC1CC(CC(C1)(C)C)NCc2cncc(c2)F 270004a_100011207991_100011361476 [1,1,0,0,0,0|1,0,1]=4 354 B19R2.483224 CC1CC(CC(C1)(C)C)NCc2cncc(c2)F 270004a_100011962886_100000209998 [1,1,0,0,0,0|1,0,1]=4 355 B19R2.483224 CC1CC(CC(C1)(C)C)NCc2cncc(c2)O 207a_100011207991_100012187055 [1,1,0,0,0,0|1,0,1]=4 356 B19R2.483224 CC1CC(CC(C1)(C)C)NCc2cncc(c2)O 270004a_100011207991_100012187055 [1,1,0,0,0,0|1,0,1]=4 357 B19R2.483224 Cc1cncc(c1)CNC2CC(CC(C2)(C)C)C 207a_100011207991_100011998712 [1,1,0,0,0,0|1,0,1]=4 358 B19R2.483224 Cc1cncc(c1)CNC2CC(CC(C2)(C)C)C 2230a_100011207991_100000716715 [1,1,0,0,0,0|1,0,1]=4 359 B19R2.483224 Cc1cncc(c1)CNC2CC(CC(C2)(C)C)C 270004a_100000692839_100000209998 [1,1,0,0,0,0|1,0,1]=4 360 B19R2.483224 Cc1cncc(c1)CNC2CC(CC(C2)(C)C)C 270004a_100011207991_100011998712 [1,1,0,0,0,0|1,0,1]=4 361 B19R2.504114 CC1CC(CC(C1)(C)C)NCc2cccnc2Br 2230a_100011207991_100010140945 [1,1,0,0,0,0|1,0,1]=4 362 B19R2.504114 CC1CC(CC(C1)(C)C)NCc2cccnc2Br 270004a_100009818023_100000209998 [1,1,0,0,0,0|1,0,1]=4 363 B19R2.504114 CC1CC(CC(C1)(C)C)NCc2cccnc2Cl 2230a_100011207991_100000045678 [1,1,0,0,0,0|1,0,1]=4 364 B19R2.504114 CC1CC(CC(C1)(C)C)NCc2cccnc2F 2230a_100011207991_100000099810 [1,1,0,0,0,0|1,0,1]=4 365 B19R2.504114 CC1CC(CC(C1)(C)C)NCc2cccnc2F 270004a_100000724633_100000209998 [1,1,0,0,0,0|1,0,1]=4 366 B19R2.504114 CC1CC(CC(C1)(C)C)NCc2cccnc2O 207a_100011207991_100011998315 [1,1,0,0,0,0|1,0,1]=4 367 B19R2.504114 CC1CC(CC(C1)(C)C)NCc2cccnc2O 270004a_100011207991_100011998315 [1,1,0,0,0,0|1,0,1]=4 368 B19R2.504114 CC1CC(CC(C1)(C)C)NCc2cnccc2Br 270004a_100011207991_100009816821 [1,1,0,0,0,0|1,0,1]=4 369 B19R2.504114 CC1CC(CC(C1)(C)C)NCc2cnccc2Cl 270004a_100011207991_100000050567 [1,1,0,0,0,0|1,0,1]=4 370 B19R2.504114 Cc1ccncc1CNC2CC(CC(C2)(C)C)C 207a_100011207991_100000685662 [1,1,0,0,0,0|1,0,1]=4 371 B19R2.504114 Cc1ccncc1CNC2CC(CC(C2)(C)C)C 2230a_100011207991_100000690890 [1,1,0,0,0,0|1,0,1]=4 372 B19R2.504114 Cc1ccncc1CNC2CC(CC(C2)(C)C)C 270004a_100011207991_100000685662 [1,1,0,0,0,0|1,0,1]=4 373 B19R2.504114 Cc1ccncc1CNC2CC(CC(C2)(C)C)C 270004a_100011997553_100000209998 [1,1,0,0,0,0|1,0,1]=4 374 B19R2.504114 Cc1ncccc1CNC2CC(CC(C2)(C)C)C 207a_100011207991_100000751968 [1,1,0,0,0,0|1,0,1]=4 375 B19R2.504114 Cc1ncccc1CNC2CC(CC(C2)(C)C)C 2230a_100011207991_100000732876 [1,1,0,0,0,0|1,0,1]=4 376 B19R2.504114 Cc1ncccc1CNC2CC(CC(C2)(C)C)C 270004a_100011207991_100000751968 [1,1,0,0,0,0|1,0,1]=4 377 B19R2.867502 CC1CC(CC(C1)(C)C)N(C)Cc2cccnc2 270004a_100000184577_100000209998 [1,1,0,0,0,0|1,0,1]=4 378 B19R2.1294339 CC1CC(CC(C1)(C)C)NCc2ccc(nc2)Br 2230a_100011207991_100009831999 [1,1,0,0,0,0|1,0,1]=4 379 B19R2.1294339 CC1CC(CC(C1)(C)C)NCc2ccc(nc2)Br 270004a_100009817727_100000209998 [1,1,0,0,0,0|1,0,1]=4 380 B19R2.1294339 CC1CC(CC(C1)(C)C)NCc2ccc(nc2)Cl 2230a_100011207991_100000735431 [1,1,0,0,0,0|1,0,1]=4 381 B19R2.1294339 CC1CC(CC(C1)(C)C)NCc2ccc(nc2)Cl 270004a_100000735879_100000209998 [1,1,0,0,0,0|1,0,1]=4 382 B19R2.1294339 CC1CC(CC(C1)(C)C)NCc2ccc(nc2)F 2230a_100011207991_100009820150 [1,1,0,0,0,0|1,0,1]=4 383 B19R2.1294339 CC1CC(CC(C1)(C)C)NCc2ccc(nc2)F 270004a_100000101913_100000209998 [1,1,0,0,0,0|1,0,1]=4 384 B19R2.1294339 CC1CC(CC(C1)(C)C)NCc2ccc(nc2)O 207a_100011207991_100011361521 [1,1,0,0,0,0|1,0,1]=4 385 B19R2.1294339 Cc1ccc(cn1)CNC2CC(CC(C2)(C)C)C 2230a_100011207991_100016987292 [1,1,0,0,0,0|1,0,1]=4 386 B19R2.1294339 Cc1ccc(cn1)CNC2CC(CC(C2)(C)C)C 270004a_100000740942_100000209998 [1,1,0,0,0,0|1,0,1]=4 387 B19R2.1294339 Cc1ccc(cn1)CNC2CC(CC(C2)(C)C)C 270004a_100011207991_100000743784 [1,1,0,0,0,0|1,0,1]=4 388 B19R2.4870661 CC1(CC(CC(C1)(C)C)NCc2cccnc2)C 207a_100000697545_100000209961 [1,1,0,0,0,0|1,0,1]=4 389 B19R2.4870661 CC1(CC(CC(C1)(C)C)NCc2cccnc2)C 2230a_100000697545_100000741622 [1,1,0,0,0,0|1,0,1]=4 390 B19R2.4870661 CC1(CC(CC(C1)(C)C)NCc2cccnc2)C 270004a_100000210453_100000033339 [1,1,0,0,0,0|1,0,1]=4 391 B19R2.4870661 CC1(CC(CC(C1)(C)C)NCc2cccnc2)C 270004a_100000697545_100000209961 [1,1,0,0,0,0|1,0,1]=4 392 B19R2.4870661 CC1(CC(CC(N1)(C)C)OCc2cccnc2)C 7a_100000210437_100000741622 [1,1,0,0,0,0|1,0,1]=4 393 B19R2.4870661 CC1(CC(CC(O1)(C)C)OCc2cccnc2)C 7a_100010393516_100000741622 [1,1,0,0,0,0|1,0,1]=4 394 B19R2.23601 CC1(C[C@@H](N(C1)CC(=O)c2cccnc2)CO)C 269982a_100020977354_100000757877 [0,1,0,0,1,0|2,0,0]=4 395 B19R2.3189192 CC(C)CC(C)(C)NC1OC(=O)c2c1cccc2 2230a_100011346068_100009813457 [0,0,1,1,0,0|2,0,0]=4 396 B19R2.443986 CC1(CCN(C1)CCOC(=O)c2ccccc2)C 269982a_100000764714_100009812718 [0,0,1,1,0,0|2,0,0]=4 397 B19R2.5007264 C[C@@H](CC(C)(C)C)NC1OC(=O)c2c1cccc2 2230a_106358413534_100009813457 [0,0,1,1,0,0|2,0,0]=4 398 B21R3.36883698 CC1CC(CC(C1)(C)C)Nc2nc3cccnc3s2 27a_100011207991_100010188088 [0,0,0,1,0,1|1,1,0]=4 399 B21R3.78382210 CC1(CC2CC(C1)(CN2C(=O)c3ccccc3)C)C 11a_100000209978_100000185807 [0,1,0,1,0,0|2,0,0]=4 400 B21R3.78382210 CC1(CC2CC(C1)(CN2C(=O)c3ccccc3)C)C 1626a_100000209978_100000185807 [0,1,0,1,0,0|2,0,0]=4 401 B21R3.78382210 CC1(CC2CC(C1)(CN2C(=O)c3ccccc3)C)C 240690a_100000209978_100000185807 [0,1,0,1,0,0|2,0,0]=4 402 B21R3.78382210 CC1(CC2CC(C1)(CN2C(=O)c3ccccc3)C)C 527a_100000209978_100000185807 [0,1,0,1,0,0|2,0,0]=4 403 B21R3.6567102 CC1CC(CC(C1)(C)C)Nc2n[nH]c3c2cccn3 27a_100011207991_100009818534 [0,1,0,1,0,0|2,0,0]=4 404 B21R3.6567102 CC1CC(CC(C1)(C)C)Nc2n[nH]c3c2cncc3 27a_100011207991_100009820117 [0,1,0,1,0,0|2,0,0]=4 405 B17R1.771 CCCN(CC(C)(C)C)C(=O)c1ccccc1 11a_107254831479_100000185807 [0,0,1,0,1,0|2,0,0]=4 406 B17R1.771 CCCN(CC(C)(C)C)C(=O)c1ccccc1 1626a_107254831479_100000185807 [0,0,1,0,1,0|2,0,0]=4 407 B17R1.771 CCCN(CC(C)(C)C)C(=O)c1ccccc1 240690a_107254831479_100000185807 [0,0,1,0,1,0|2,0,0]=4 408 B17R1.4456 CCCN(CC(=O)c1cccnc1)C(C)(C)C 269982a_100000743177_100000757877 [0,0,1,0,1,0|2,0,0]=4 409 B17R1.16622 CC(C)CN(CC(C)C)C(=O)c1ccccc1 11a_100000201412_100000185807 [0,0,1,0,1,0|2,0,0]=4 410 B17R1.16622 CC(C)CN(CC(C)C)C(=O)c1ccccc1 1626a_100000201412_100000185807 [0,0,1,0,1,0|2,0,0]=4 411 B17R1.16622 CC(C)CN(CC(C)C)C(=O)c1ccccc1 240690a_100000201412_100000185807 [0,0,1,0,1,0|2,0,0]=4 412 B17R1.16622 CC(C)CN(CC(C)C)C(=O)c1ccccc1 527a_100000201412_100000185807 [0,0,1,0,1,0|2,0,0]=4 413 B17R1.26184 CC(C)CN(CC(=O)c1cccnc1)C(C)C 269982a_100000737641_100000757877 [0,0,1,0,1,0|2,0,0]=4 414 B17R1.16182 CC(C)C(C)(C)OCOC(=O)c1ccccc1 7a_100011215261_100000073877 [0,0,1,0,1,0|2,0,0]=4 415 B17R1.8299 CC(C)CC(C)N(C)CC(=O)c1cccnc1 269982a_100000745462_100000757877 [0,0,1,0,1,0|2,0,0]=4 416 B17R1.8301 CC(C)CC(C)NC(C)C(=O)c1ccccc1 2230a_100000692259_100000239700 [0,0,1,0,1,0|2,0,0]=4 417 B17R1.8301 CC(C)CC(C)OC(C)C(=O)c1ccccc1 7a_100000211805_100000239700 [0,0,1,0,1,0|2,0,0]=4 418 B17R1.8301 CC(C)CC(C)SC(C)C(=O)c1ccccc1 62a_100000239700_100000731052 [0,0,1,0,1,0|2,0,0]=4 419 B17R1.8301 CC(C)CC(C)SC(C)C(=O)c1ccccc1 62a_100000731052_100000239700 [0,0,1,0,1,0|2,0,0]=4 420 B17R1.16634 CC(CC(C)(C)C)OCC(=O)c1ccccc1 7a_200011218616_100000211460 [0,0,1,0,1,0|2,0,0]=4 421 B17R1.16634 CN(CCC(=O)c1ccccc1)CC(C)(C)C 2230a_100000742839_100000750707 [0,0,1,0,1,0|2,0,0]=4 422 B17R1.16634 CN(CCC(=O)c1ccccc1)CC(C)(C)C 269982a_100000742839_100000750707 [0,0,1,0,1,0|2,0,0]=4 423 B17R1.16634 CN(COC(=O)c1ccccc1)CC(C)(C)C 269982a_100000742839_100000073877 [0,0,1,0,1,0|2,0,0]=4 424 B17R1.16642 CN(CCOC(=O)c1ccccc1)C(C)(C)C 269982a_100011215553_100009812718 [0,0,1,0,1,0|2,0,0]=4 425 B17R1.4227 CCCC(C)(C)OC(C)C(=O)c1ccccc1 7a_100000748436_100000239700 [0,0,1,0,1,0|2,0,0]=4 426 B17R2.3218 CC1CC(CN(C1)C(=O)c2ccccc2)C 11a_100000210448_100000185807 [1,0,0,0,1,0|2,0,0]=4 427 B17R2.3218 CC1CC(CN(C1)C(=O)c2ccccc2)C 240690a_100000210448_100000185807 [1,0,0,0,1,0|2,0,0]=4 428 B17R2.3218 CC1CC(CN(C1)C(=O)c2ccccc2)C 527a_100000210448_100000185807 [1,0,0,0,1,0|2,0,0]=4 429 B17R2.5730 CC1(CCCN1CC(=O)c2cccnc2)C 269982a_100000761399_100000757877 [1,0,0,0,1,0|2,0,0]=4 430 B17R2.10203 CC1(CC(CCO1)C(=O)c2ccccc2)C 1458a_100000185807_100010191092 [1,0,0,0,1,0|2,0,0]=4 431 B17R2.10203 CC1(CCCN(C1)C(=O)c2ccccc2)C 11a_100000716857_100000185807 [1,0,0,0,1,0|2,0,0]=4 432 B17R2.10203 CC1(CCCN(C1)C(=O)c2ccccc2)C 1626a_100000716857_100000185807 [1,0,0,0,1,0|2,0,0]=4 433 B17R2.10203 CC1(CCCN(C1)C(=O)c2ccccc2)C 240690a_100000716857_100000185807 [1,0,0,0,1,0|2,0,0]=4 434 B17R2.10203 CC1(CCCN(C1)C(=O)c2ccccc2)C 527a_100000716857_100000185807 [1,0,0,0,1,0|2,0,0]=4 435 B17R2.45628 CC1(CCN(C1)CC(=O)c2cccnc2)C 269982a_100000764714_100000757877 [1,0,0,0,1,0|2,0,0]=4 436 B17R2.19322 CC1CC(C(C1)(C)C)NCc2cccnc2 269862a_100000210453_100000042959 [1,0,0,0,1,0|1,0,1]=4 437 B17R2.36751 CC1CC(CC1NCc2cccnc2)(C)C 270004a_100000210453_100000720090 [1,0,0,0,1,0|1,0,1]=4 438 B17R2.36763 CC1CC(CC(C1)(C)C)Nc2cccnn2 27a_100011207991_100016991348 [1,0,0,0,1,0|2,0,0]=4 439 B17R2.36763 CC1CC(CC(C1)(C)C)Nc2cnccn2 27a_100011207991_100000211759 [1,0,0,0,1,0|2,0,0]=4 440 B19R1.30949 CCCN(COC(=O)c1ccccc1)CC(C)(C)C 269982a_107254831479_100000073877 [0,0,1,0,0,1|2,0,0]=4 441 B19R1.435773 CC(C)CC(=NNC(=O)c1cccnc1)CC(C)C 4a_100000189771_100000210597 [0,0,1,0,0,1|1,0,1]=4 442 B19R1.435773 CC(C)CC(CC(C)C)OCC(=O)c1ccccc1 7a_100011219621_100000211460 [0,0,1,0,0,1|1,0,0]=3 443 B19R1.435773 CC(C)CC(CC(C)C)OCC(=O)c1ccccn1 34a_100011219621_100000027445 [0,0,1,0,0,1|2,0,0]=4 444 B19R1.435773 CC(C)CC(CC(C)C)OCC(=O)c1ccccn1 7a_100011219621_100000027445 [0,0,1,0,0,1|2,0,0]=4 445 B19R1.435773 CC(C)CC(CC(C)C)OCC(=O)c1ccncc1 7a_100011219621_100015248511 [0,0,1,0,0,1|2,0,0]=4 446 B19R1.435773 CC(C)CN(COC(=O)c1ccccc1)CC(C)C 269982a_100000201412_100000073877 [0,0,1,0,0,1|2,0,0]=4 447 B19R1.436431 CC(C)CC(CC(C)C)NC(=O)Cc1cccnc1 11a_100000751966_100000737805 [0,0,1,0,0,1|1,0,0]=3 448 B19R1.436431 CC(C)CC(CC(C)C)NC(=O)Cc1cccnc1 240690a_100000751966_100000737805 [0,0,1,0,0,1|1,0,0]=3 449 B19R1.436431 CC(C)CC(CC(C)C)NC(=O)Cc1cccnc1 527a_100000751966_100000737805 [0,0,1,0,0,1|1,0,0]=3 450 B19R1.436431 CC(C)CC(CC(C)C)NC(=O)Cc1cnccn1 11a_100000751966_100000726051 [0,0,1,0,0,1|2,0,0]=4 451 B19R1.436431 CC(C)CC(CC(C)C)NC(=O)Cc1cnccn1 240690a_100000751966_100000726051 [0,0,1,0,0,1|2,0,0]=4 452 B19R1.436431 CC(C)CC(CC(C)C)NC(=O)Cc1cnccn1 527a_100000751966_100000726051 [0,0,1,0,0,1|2,0,0]=4 453 B19R1.436431 CC(C)CC(CC(C)C)NC(=O)Cc1cncnc1 11a_100000751966_100000721575 [0,0,1,0,0,1|2,0,0]=4 454 B19R1.436431 CC(C)CC(CC(C)C)NC(=O)Cc1cncnc1 240690a_100000751966_100000721575 [0,0,1,0,0,1|2,0,0]=4 455 B19R1.436431 CC(C)CC(CC(C)C)NC(=O)Cc1cncnc1 527a_100000751966_100000721575 [0,0,1,0,0,1|2,0,0]=4 456 B19R1.436431 CC(C)CC(CC(C)C)NC(=O)Nc1ccccc1 2430a_100000106764_100000751966 [0,0,1,0,0,1|2,0,0]=4 457 B19R1.26350 CC(C)CC(C)(C)NCCCC(=O)c1ccccc1 2230a_100011346068_100000211006 [0,0,1,0,0,1|2,0,0]=4 458 B19R1.49489 CC(C)CCC(C)(C)OCOC(=O)c1ccccc1 7a_200011218267_100000073877 [0,0,1,0,0,1|2,0,0]=4 459 B19R1.49489 CC(C)CCC(C)(C)SCOC(=O)c1ccccc1 62a_100000073877_200000037585 [0,0,1,0,0,1|2,0,0]=4 460 B19R1.49489 CC(C)CCC(C)(C)SCOC(=O)c1ccccc1 62a_200000037585_100000073877 [0,0,1,0,0,1|2,0,0]=4 461 B19R1.437828 CC(C)CC(C)(C)NCCC(=O)Nc1cccnc1 2230a_100011346068_200015187043 [0,0,1,0,0,1|2,0,0]=4 462 B19R1.9604 CC(C)CC(C)NC(C)COC(=O)c1ccccc1 270004a_100000692259_100000000904 [0,0,1,0,0,1|2,0,0]=4 463 B19R1.26613 CC(CC(C)(C)C)OCCCC(=O)c1ccccc1 7a_200011218616_100000211006 [0,0,1,0,0,1|2,0,0]=4 464 B19R1.26613 CC(CC(C)(C)C)OCCNC(=O)c1ccccc1 7a_200011218616_200011215302 [0,0,1,0,0,1|2,0,0]=4 465 B19R1.26613 CC(CC(C)(C)C)OCCOC(=O)c1ccccc1 7a_200011218616_100000184176 [0,0,1,0,0,1|1,0,0]=3 466 B19R1.26613 CC(CC=NNC(=O)c1cccnc1)CC(C)(C)C 4a_100000189771_100011215559 [0,0,1,0,0,1|1,0,1]=4 467 B19R1.26613 CC(CCOCC(=O)c1ccccc1)CC(C)(C)C 7a_200011215431_100000211460 [0,0,1,0,0,1|1,0,0]=3 468 B19R1.26613 CC(CCOCC(=O)c1ccccn1)CC(C)(C)C 7a_200011215431_100000027445 [0,0,1,0,0,1|2,0,0]=4 469 B19R1.26613 CC(CCOCC(=O)c1ccncc1)CC(C)(C)C 7a_200011215431_100015248511 [0,0,1,0,0,1|2,0,0]=4 470 B19R1.26613 CC(COCCC(=O)c1ccccc1)CC(C)(C)C 7a_200011215325_100000750707 [0,0,1,0,0,1|2,0,0]=4 471 B19R1.26613 CC(COCOC(=O)c1ccccc1)CC(C)(C)C 7a_200011215325_100000073877 [0,0,1,0,0,1|1,0,0]=3 472 B19R1.26613 CN(CCCOC(=O)c1ccccc1)CC(C)(C)C 269982a_100000742839_200009892979 [0,0,1,0,0,1|2,0,0]=4 473 B19R1.26613 C[C@@H](CC(C)(C)C)NCCCC(=O)c1ccccc1 2230a_106358413534_100000211006 [0,0,1,0,0,1|2,0,0]=4 474 B19R1.283425 CC(COC(C)(C)C)OCOC(=O)c1ccccc1 7a_100011215624_100000073877 [0,0,1,0,0,1|2,0,0]=4 475 B19R1.283552 CC(CC(C)(C)C)OCCC(=O)Nc1cccnc1 7a_200011218616_200015187043 [0,0,1,0,0,1|2,0,0]=4 476 B19R1.283552 C[C@@H](CC(C)(C)C)NCCC(=O)Nc1cccnc1 2230a_106358413534_200015187043 [0,0,1,0,0,1|2,0,0]=4 477 B19R2.4101 CC1CC(=NNC(=O)c2cccnc2)CC(C1)C 4a_100000189771_100000753413 [1,0,0,0,0,1|1,0,1]=4 478 B19R2.4101 CC1CC(CC(O1)C)OCC(=O)c2ccccc2 7a_200000691454_100000211460 [1,0,0,0,0,1|2,0,0]=4 479 B19R2.4101 CC1CC(CN(C1)COC(=O)c2ccccc2)C 269982a_100000210448_100000073877 [1,0,0,0,0,1|2,0,0]=4 480 B19R2.113990 CC1(CC(CCO1)NC(=O)Cc2cccnc2)C 11a_100000696200_100000737805 [1,0,0,0,0,1|2,0,0]=4 481 B19R2.113990 CC1(CC(CCO1)NC(=O)Cc2cccnc2)C 240690a_100000696200_100000737805 [1,0,0,0,0,1|2,0,0]=4 482 B19R2.113990 CC1(CC(CCO1)NC(=O)Cc2cccnc2)C 527a_100000696200_100000737805 [1,0,0,0,0,1|2,0,0]=4 483 B19R2.444010 CC1(CC(CCO1)OCC(=O)c2ccccc2)C 7a_100000693217_100000211460 [1,0,0,0,0,1|2,0,0]=4 484 B19R2.444010 CC1(CC(CCO1)SCC(=O)c2cccnc2)C 62a_100000757877_100010191092 [1,0,0,0,0,1|1,1,0]=4 485 B19R2.444010 CC1(CC(CCO1)SCC(=O)c2cccnc2)C 62a_100010191092_100000757877 [1,0,0,0,0,1|1,1,0]=4 486 B19R2.444010 CC1(CCCC(=NNC(=O)c2cccnc2)C1)C 4a_100000189771_100000031663 [1,0,0,0,0,1|1,0,1]=4 487 B19R2.444010 CC1(CCCC(C1)OCC(=O)c2ccccc2)C 7a_100011995757_100000211460 [1,0,0,0,0,1|1,0,0]=3 488 B19R2.444010 CC1(CCCC(C1)OCC(=O)c2ccccn2)C 7a_100011995757_100000027445 [1,0,0,0,0,1|2,0,0]=4 489 B19R2.444010 CC1(CCCC(C1)OCC(=O)c2ccncc2)C 7a_100011995757_100015248511 [1,0,0,0,0,1|2,0,0]=4 490 B19R2.444010 CC1(CCCN(C1)COC(=O)c2ccccc2)C 269982a_100000716857_100000073877 [1,0,0,0,0,1|2,0,0]=4 491 B19R2.867601 CC1CC(CC(C1)(C)C)NCCc2cccnc2 2230a_100011207991_200011713674 [1,0,0,0,0,1|1,0,1]=4 492 B19R2.867601 CC1CC(CC(C1)(C)C)NCCc2cccnc2 270004a_100000736294_100000209998 [1,0,0,0,0,1|1,0,1]=4 493 B19R2.867594 CC1CC(CC(C1)(C)C)NCC(=O)c2cccs2 2230a_100011207991_100000211436 [0,0,0,0,1,1|2,0,0]=4 494 B19R2.867594 CC1CC(CC(C1)(C)C)NCC(=O)c2ccsc2 2230a_100011207991_100011219462 [0,0,0,0,1,1|2,0,0]=4 495 B19R2.867594 CC1CC(CC(C1)(C)C)NCC(=O)n2cccn2 2230a_100011207991_100000077511 [0,0,0,0,1,1|2,0,0]=4