0 B17R3.1910 C(=C1CCCC1)c2cccc3c2CCC3 271570a_100010378317_100010343934 [0,0,0,0,0,0|3,0,0]=3 1 B17R3.1910 C(=C1CCCC1)c2cccc3c2CCN3 271570a_100010378317_100009817896 [0,0,0,0,0,0|4,0,0]=4 2 B17R3.1910 C(=C1CCCC1)c2cccc3c2CCO3 271570a_100010378317_100009819624 [0,0,0,0,0,0|4,0,0]=4 3 B17R3.1910 C(=C1CCCC1)c2cccc3c2CNC3 271570a_100010378317_100000703859 [0,0,0,0,0,0|4,0,0]=4 4 B17R3.1910 C(=C1CCCC1)c2cccc3c2COC3 271570a_100010378317_100010384907 [0,0,0,0,0,0|4,0,0]=4 5 B17R3.1910 C(=C1CCCC1)c2cccc3c2NCC3 271570a_100010378317_100016995435 [0,0,0,0,0,0|4,0,0]=4 6 B17R3.1910 C(=C1CCCC1)c2cccc3c2OCC3 271570a_100010378317_100009818991 [0,0,0,0,0,0|4,0,0]=4 7 B17R3.1910 C(=C1CCCC1)c2ccnc3c2CCC3 271570a_100010378317_100000102697 [0,0,0,0,0,0|4,0,0]=4 8 B17R3.1910 c1c[nH]c(n1)Sc2ccnc3c2CCC3 62a_100000102697_100025796157 [0,0,0,0,0,0|2,0,2]=4 9 B17R3.1910 c1c[nH]c(n1)Sc2ccnc3c2CCC3 62a_100025796157_100000102697 [0,0,0,0,0,0|2,0,2]=4 10 B17R3.1910 c1cc(c2c(c1)OCC2)NC3CCCC3 2230a_100000084147_100000179811 [0,0,0,0,0,0|3,0,1]=4 11 B17R3.1910 c1cc(c2c(c1)OCC2)NC3CCCC3 34a_100000084147_100000179811 [0,0,0,0,0,0|3,0,1]=4 12 B17R3.1910 c1cc(c2c(c1)OCC2)Nc3ncns3 27a_100000084147_100000693119 [0,0,0,0,0,0|3,0,1]=4 13 B17R3.1910 c1cc(c2c(c1)OCC2)Nc3nncs3 27a_100000084147_100000739804 [0,0,0,0,0,0|3,0,1]=4 14 B17R3.1910 c1cc(c2c(n1)CCC2)NC3CCCC3 27a_100000211070_100000102697 [0,0,0,0,0,0|3,0,1]=4 15 B17R3.1910 c1cc2c(c(c1)CN3CCCC3)CCC2 26a_100000188435_100000074356 [0,0,0,0,0,0|4,0,0]=4 16 B17R3.1910 c1cc2c(c(c1)NC3CCCC3)CCC2 2230a_100000043548_100000179811 [0,0,0,0,0,0|2,0,1]=3 17 B17R3.1910 c1cc2c(c(c1)NC3CCCC3)CCC2 34a_100000043548_100000179811 [0,0,0,0,0,0|2,0,1]=3 18 B17R3.1910 c1cc2c(c(c1)NC3CCCC3)COC2 2230a_100000125316_100000179811 [0,0,0,0,0,0|3,0,1]=4 19 B17R3.1910 c1cc2c(c(c1)NC3CCCC3)COC2 34a_100000125316_100000179811 [0,0,0,0,0,0|3,0,1]=4 20 B17R3.1910 c1cc2c(c(c1)NC3CCCC3)OCC2 2230a_100000102157_100000179811 [0,0,0,0,0,0|3,0,1]=4 21 B17R3.1910 c1cc2c(c(c1)NC3CCCC3)OCC2 34a_100000102157_100000179811 [0,0,0,0,0,0|3,0,1]=4 22 B17R3.1910 c1cc2c(c(c1)NC3CCOC3)CCC2 2230a_100000043548_100000731011 [0,0,0,0,0,0|3,0,1]=4 23 B17R3.1910 c1cc2c(c(c1)NC3CCOC3)CCC2 34a_100000043548_100000690089 [0,0,0,0,0,0|3,0,1]=4 24 B17R3.1910 c1cc2c(c(c1)Nc3ncns3)CCC2 27a_100000043548_100000693119 [0,0,0,0,0,0|2,0,1]=3 25 B17R3.1910 c1cc2c(c(c1)Nc3ncns3)COC2 27a_100000125316_100000693119 [0,0,0,0,0,0|3,0,1]=4 26 B17R3.1910 c1cc2c(c(c1)Nc3ncns3)OCC2 27a_100000102157_100000693119 [0,0,0,0,0,0|3,0,1]=4 27 B17R3.1910 c1cc2c(c(c1)Nc3nncs3)CCC2 27a_100000043548_100000739804 [0,0,0,0,0,0|2,0,1]=3 28 B17R3.1910 c1cc2c(c(c1)Nc3nncs3)COC2 27a_100000125316_100000739804 [0,0,0,0,0,0|3,0,1]=4 29 B17R3.1910 c1cc2c(c(c1)Nc3nncs3)OCC2 27a_100000102157_100000739804 [0,0,0,0,0,0|3,0,1]=4 30 B17R3.1910 c1cc2c(c(c1)OC3CCCC3)CCC2 34a_100000074356_100000179811 [0,0,0,0,0,0|3,0,1]=4 31 B17R3.1910 c1cc2c(c(c1)OC3CCCC3)CCC2 7a_100000074356_100000179811 [0,0,0,0,0,0|3,0,1]=4 32 B17R3.1910 c1cc2c(c(c1)SC3CCCC3)CCC2 62a_100010343934_100000179811 [0,0,0,0,0,0|3,0,1]=4 33 B17R3.1910 c1cc2c(c(c1)SC3CCCC3)CCC2 62a_100011217020_100010343934 [0,0,0,0,0,0|3,0,1]=4 34 B17R3.1910 c1cc2c(c(c1)Sc3c[nH]cn3)CCC2 62a_100000756875_100010343934 [0,0,0,0,0,0|3,0,1]=4 35 B17R3.1910 c1cc2c(c(c1)Sc3c[nH]cn3)CCC2 62a_100010343934_100000756875 [0,0,0,0,0,0|3,0,1]=4 36 B17R3.1910 c1cc2c(c(c1)Sc3c[nH]nn3)CCC2 62a_100009819707_100010343934 [0,0,0,0,0,0|4,0,0]=4 37 B17R3.1910 c1cc2c(c(c1)Sc3c[nH]nn3)CCC2 62a_100010343934_100009819707 [0,0,0,0,0,0|4,0,0]=4 38 B17R3.1910 c1cc2c(c(c1)Sc3cc[nH]n3)CCC2 62a_100000062575_100010343934 [0,0,0,0,0,0|3,0,1]=4 39 B17R3.1910 c1cc2c(c(c1)Sc3cc[nH]n3)CCC2 62a_100010343934_100000062575 [0,0,0,0,0,0|3,0,1]=4 40 B17R3.1910 c1cc2c(c(c1)Sc3ccon3)CCC2 62a_100009818083_100010343934 [0,0,0,0,0,0|3,0,1]=4 41 B17R3.1910 c1cc2c(c(c1)Sc3ccon3)CCC2 62a_100010343934_100009818083 [0,0,0,0,0,0|3,0,1]=4 42 B17R3.1910 c1cc2c(c(c1)Sc3ccsn3)CCC2 62a_100009818082_100010343934 [0,0,0,0,0,0|3,0,1]=4 43 B17R3.1910 c1cc2c(c(c1)Sc3ccsn3)CCC2 62a_100010343934_100009818082 [0,0,0,0,0,0|3,0,1]=4 44 B17R3.1910 c1cc2c(c(c1)Sc3cscn3)CCC2 62a_100000751502_100010343934 [0,0,0,0,0,0|3,0,1]=4 45 B17R3.1910 c1cc2c(c(c1)Sc3cscn3)CCC2 62a_100010343934_100000751502 [0,0,0,0,0,0|3,0,1]=4 46 B17R3.1910 c1cc2c(c(c1)Sc3nc[nH]n3)CCC2 62a_100000761765_100010343934 [0,0,0,0,0,0|2,0,2]=4 47 B17R3.1910 c1cc2c(c(c1)Sc3nc[nH]n3)CCC2 62a_100010343934_100000761765 [0,0,0,0,0,0|2,0,2]=4 48 B17R3.1910 c1cc2c(c(c1)Sc3ncc[nH]3)CCC2 62a_100010343934_100025796157 [0,0,0,0,0,0|1,0,2]=3 49 B17R3.1910 c1cc2c(c(c1)Sc3ncc[nH]3)CCC2 62a_100025796157_100010343934 [0,0,0,0,0,0|1,0,2]=3 50 B17R3.1910 c1cc2c(c(c1)Sc3ncc[nH]3)CCN2 62a_100009817896_100025796157 [0,0,0,0,0,0|2,0,2]=4 51 B17R3.1910 c1cc2c(c(c1)Sc3ncc[nH]3)CCN2 62a_100025796157_100009817896 [0,0,0,0,0,0|2,0,2]=4 52 B17R3.1910 c1cc2c(c(c1)Sc3ncc[nH]3)CCO2 62a_100009819624_100025796157 [0,0,0,0,0,0|2,0,2]=4 53 B17R3.1910 c1cc2c(c(c1)Sc3ncc[nH]3)CCO2 62a_100025796157_100009819624 [0,0,0,0,0,0|2,0,2]=4 54 B17R3.1910 c1cc2c(c(c1)Sc3ncc[nH]3)CNC2 62a_100000703859_100025796157 [0,0,0,0,0,0|2,0,2]=4 55 B17R3.1910 c1cc2c(c(c1)Sc3ncc[nH]3)CNC2 62a_100025796157_100000703859 [0,0,0,0,0,0|2,0,2]=4 56 B17R3.1910 c1cc2c(c(c1)Sc3ncc[nH]3)COC2 62a_100010384907_100025796157 [0,0,0,0,0,0|2,0,2]=4 57 B17R3.1910 c1cc2c(c(c1)Sc3ncc[nH]3)COC2 62a_100025796157_100010384907 [0,0,0,0,0,0|2,0,2]=4 58 B17R3.1910 c1cc2c(c(c1)Sc3ncc[nH]3)NCC2 62a_100016995435_100025796157 [0,0,0,0,0,0|2,0,2]=4 59 B17R3.1910 c1cc2c(c(c1)Sc3ncc[nH]3)NCC2 62a_100025796157_100016995435 [0,0,0,0,0,0|2,0,2]=4 60 B17R3.1910 c1cc2c(c(c1)Sc3ncc[nH]3)OCC2 62a_100009818991_100025796157 [0,0,0,0,0,0|2,0,2]=4 61 B17R3.1910 c1cc2c(c(c1)Sc3ncc[nH]3)OCC2 62a_100025796157_100009818991 [0,0,0,0,0,0|2,0,2]=4 62 B17R3.1910 c1cc2c(c(c1)Sc3ncco3)CCC2 62a_100010343934_100011787736 [0,0,0,0,0,0|2,0,2]=4 63 B17R3.1910 c1cc2c(c(c1)Sc3ncco3)CCC2 62a_100011787736_100010343934 [0,0,0,0,0,0|2,0,2]=4 64 B17R3.1910 c1cc2c(c(c1)Sc3nccs3)CCC2 62a_100000211983_100010343934 [0,0,0,0,0,0|2,0,2]=4 65 B17R3.1910 c1cc2c(c(c1)Sc3nccs3)CCC2 62a_100010343934_100000211983 [0,0,0,0,0,0|2,0,2]=4 66 B17R3.1910 c1cc2c(c(c1)Sc3ncns3)CCC2 62a_100000693119_100010343934 [0,0,0,0,0,0|3,0,1]=4 67 B17R3.1910 c1cc2c(c(c1)Sc3ncns3)CCC2 62a_100010343934_100000693119 [0,0,0,0,0,0|3,0,1]=4 68 B17R3.1910 c1cc2c(c(c1)Sc3nncs3)CCC2 62a_100000739804_100010343934 [0,0,0,0,0,0|3,0,1]=4 69 B17R3.1910 c1cc2c(c(c1)Sc3nncs3)CCC2 62a_100010343934_100000739804 [0,0,0,0,0,0|3,0,1]=4 70 B18R3.4 NC1CCc2c1cccc2C=C3CCCC3 271570a_100010378317_100000751068 [0,1,0,0,0,0|3,0,0]=4 71 B18R3.4 NC1CCc2c1cccc2Sc3ncc[nH]3 62a_100000751068_100025796157 [0,1,0,0,0,0|1,0,2]=4 72 B18R3.4 NC1CCc2c1cccc2Sc3ncc[nH]3 62a_100025796157_100000751068 [0,1,0,0,0,0|1,0,2]=4 73 B18R3.4 O[C@H]1CCc2c1cccc2C=C3CCCC3 271570a_100010378317_100010080924 [0,1,0,0,0,0|3,0,0]=4 74 B18R3.4 O[C@H]1CCc2c1cccc2Sc3ncc[nH]3 62a_100010080924_100025796157 [0,1,0,0,0,0|1,0,2]=4 75 B18R3.4 O[C@H]1CCc2c1cccc2Sc3ncc[nH]3 62a_100025796157_100010080924 [0,1,0,0,0,0|1,0,2]=4 76 B18R3.2923 Cc1c[nH]c(n1)Sc2cccc3c2CCC3 62a_100010343934_100161115468 [0,1,0,0,0,0|1,0,2]=4 77 B18R3.2923 Cc1c[nH]c(n1)Sc2cccc3c2CCC3 62a_100161115468_100010343934 [0,1,0,0,0,0|1,0,2]=4 78 B18R3.2923 Cc1nc(no1)Nc2cccc3c2CCC3 27a_100000043548_100012003639 [0,1,0,0,0,0|1,0,2]=4 79 B18R3.2923 Cc1nnc(o1)Nc2cccc3c2CCC3 27a_100000043548_100000708914 [0,1,0,0,0,0|2,0,1]=4 80 B18R3.2923 Cc1nnc(s1)Nc2cccc3c2CCC3 27a_100000043548_100000686958 [0,1,0,0,0,0|2,0,1]=4 81 B18R3.2923 Cc1nsc(n1)Nc2cccc3c2CCC3 27a_100000043548_100000709739 [0,1,0,0,0,0|2,0,1]=4 82 B18R3.2923 Nc1nnc(s1)Nc2cccc3c2CCC3 27a_100000043548_100000738278 [0,1,0,0,0,0|2,0,1]=4 83 B18R3.3808 Cn1ccnc1Sc2cccc3c2CCC3 62a_100000707724_100010343934 [0,1,0,0,0,0|1,0,2]=4 84 B18R3.3808 Cn1ccnc1Sc2cccc3c2CCC3 62a_100010343934_100000707724 [0,1,0,0,0,0|1,0,2]=4 85 B18R3.3808 Cn1ncnc1Nc2cccc3c2CCC3 27a_100000043548_100000732653 [0,1,0,0,0,0|1,0,1]=3 86 B18R3.3808 Cn1ncnc1Nc2cccc3c2CCO3 27a_100000084147_100000732653 [0,1,0,0,0,0|2,0,1]=4 87 B18R3.3808 Cn1ncnc1Nc2cccc3c2COC3 27a_100000125316_100000732653 [0,1,0,0,0,0|2,0,1]=4 88 B18R3.3808 Cn1ncnc1Nc2cccc3c2OCC3 27a_100000102157_100000732653 [0,1,0,0,0,0|2,0,1]=4 89 B18R3.3808 Cn1ncnc1Sc2cccc3c2CCC3 62a_100000732653_100010343934 [0,1,0,0,0,0|2,0,1]=4 90 B18R3.3808 Cn1ncnc1Sc2cccc3c2CCC3 62a_100010343934_100000732653 [0,1,0,0,0,0|2,0,1]=4 91 B18R3.3808 O=C1CCCC1Nc2cccc3c2CCC3 2230a_100000043548_100000211823 [0,1,0,0,0,0|2,0,1]=4 92 B18R3.3808 O=C1CCCC1Nc2cccc3c2CCC3 34a_100000043548_100000709159 [0,1,0,0,0,0|2,0,1]=4 93 B18R3.4227 Brc1ccc2c(c1NC3CCCC3)CCC2 2230a_202495424074_100000179811 [0,1,0,0,0,0|2,0,1]=4 94 B18R3.4227 Brc1ccc2c(c1NC3CCCC3)CCC2 34a_202495424074_100000179811 [0,1,0,0,0,0|2,0,1]=4 95 B18R3.4227 Brc1ccc2c(c1Nc3ncns3)CCC2 27a_202495424074_100000693119 [0,1,0,0,0,0|2,0,1]=4 96 B18R3.4227 Brc1ccc2c(c1Nc3nncs3)CCC2 27a_202495424074_100000739804 [0,1,0,0,0,0|2,0,1]=4 97 B18R3.4227 Cc1ccc2c(c1NC3CCCC3)CCC2 2230a_202495413831_100000179811 [0,1,0,0,0,0|2,0,1]=4 98 B18R3.4227 Cc1ccc2c(c1NC3CCCC3)CCC2 34a_202495413831_100000179811 [0,1,0,0,0,0|2,0,1]=4 99 B18R3.4227 Cc1ccc2c(c1Nc3ncns3)CCC2 27a_202495413831_100000693119 [0,1,0,0,0,0|2,0,1]=4 100 B18R3.4227 Cc1ccc2c(c1Nc3nncs3)CCC2 27a_202495413831_100000739804 [0,1,0,0,0,0|2,0,1]=4 101 B18R3.6952 OC1Cc2cccc(c2C1)C=C3CCCC3 271570a_100010378317_100010752598 [0,1,0,0,0,0|3,0,0]=4 102 B18R3.6952 OC1Cc2cccc(c2C1)Sc3ncc[nH]3 62a_100010752598_100025796157 [0,1,0,0,0,0|1,0,2]=4 103 B18R3.6952 OC1Cc2cccc(c2C1)Sc3ncc[nH]3 62a_100025796157_100010752598 [0,1,0,0,0,0|1,0,2]=4 104 B18R3.98485 Ic1ccc(c2c1CCC2)NC3CCCC3 34a_200010751103_100000179811 [0,1,0,0,0,0|2,0,1]=4 105 B18R3.98485 Ic1ccc(c2c1CCC2)Nc3ncns3 27a_200010751103_100000693119 [0,1,0,0,0,0|2,0,1]=4 106 B18R3.98485 Ic1ccc(c2c1CCC2)Nc3nncs3 27a_200010751103_100000739804 [0,1,0,0,0,0|2,0,1]=4 107 B18R3.98485 Nc1ccc(c2c1CCC2)C=C3CCCC3 271570a_100010378317_200010751103 [0,1,0,0,0,0|3,0,0]=4 108 B18R3.98485 Nc1ccc(c2c1CCC2)Sc3ncc[nH]3 62a_100025796157_200010751103 [0,1,0,0,0,0|1,0,2]=4 109 B18R3.98485 Nc1ccc(c2c1CCC2)Sc3ncc[nH]3 62a_200010751103_100025796157 [0,1,0,0,0,0|1,0,2]=4 110 B18R3.547149 NC1CCc2c1c(ccc2)C=C3CCCC3 271570a_100010378317_100103168669 [0,1,0,0,0,0|3,0,0]=4 111 B18R3.547149 NC1CCc2c1c(ccc2)Sc3ncc[nH]3 62a_100025796157_100103168669 [0,1,0,0,0,0|1,0,2]=4 112 B18R3.547149 NC1CCc2c1c(ccc2)Sc3ncc[nH]3 62a_100103168669_100025796157 [0,1,0,0,0,0|1,0,2]=4 113 B16R2.572 CCCc1cccc(c1)C=C2CCCC2 271570a_100010378317_100000694964 [0,0,1,0,0,0|3,0,0]=4 114 B16R2.572 CCCc1cccc(c1)Sc2ncc[nH]2 62a_100000694964_100025796157 [0,0,1,0,0,0|1,0,2]=4 115 B16R2.572 CCCc1cccc(c1)Sc2ncc[nH]2 62a_100025796157_100000694964 [0,0,1,0,0,0|1,0,2]=4 116 B16R2.2304 CCCc1ccccc1NC2CCCC2 2230a_100000737634_100000179811 [0,0,1,0,0,0|2,0,1]=4 117 B16R2.2304 CCCc1ccccc1NC2CCCC2 34a_100000737634_100000179811 [0,0,1,0,0,0|2,0,1]=4 118 B16R2.2304 CCCc1ccccc1NC2CCCC2 7a_100000737634_100000179811 [0,0,1,0,0,0|2,0,1]=4 119 B16R2.2304 CCCc1ccccc1Nc2ncns2 27a_100000737634_100000693119 [0,0,1,0,0,0|2,0,1]=4 120 B16R2.2304 CCCc1ccccc1Nc2nncs2 27a_100000737634_100000739804 [0,0,1,0,0,0|2,0,1]=4 121 B16R2.11632 CCCCC=Cc1cccc2c1CCC2 271570a_100016275911_100010343934 [0,0,1,0,0,0|3,0,0]=4 122 B16R2.11632 CCCCCNc1cccc2c1CCC2 2230a_100000043548_100000210326 [0,0,1,0,0,0|2,0,1]=4 123 B16R2.11632 CCCCCNc1cccc2c1CCC2 34a_100000043548_100000718602 [0,0,1,0,0,0|2,0,1]=4 124 B16R2.11632 FCCCCNc1cccc2c1CCC2 2230a_100000043548_100000729493 [0,0,1,0,0,0|2,0,1]=4 125 B16R2.11632 FCCCCNc1cccc2c1CCC2 34a_100000043548_100000729493 [0,0,1,0,0,0|2,0,1]=4 126 B16R2.11632 OCCCCNc1cccc2c1CCC2 2230a_100000043548_100000210776 [0,0,1,0,0,0|2,0,1]=4 127 B16R2.11632 OCCCCNc1cccc2c1CCC2 34a_100000043548_100011216708 [0,0,1,0,0,0|2,0,1]=4 128 B16R2.29551 CC#CC(=O)Nc1cccc2c1CCC2 22a_100000043548_100000763181 [0,0,1,0,0,0|2,0,1]=4 129 B16R2.29551 CC=CC(=O)Nc1cccc2c1CCC2 11a_100000043548_100000210699 [0,0,1,0,0,0|2,0,1]=4 130 B16R2.29551 CC=CC(=O)Nc1cccc2c1CCC2 1626a_100000043548_100000210699 [0,0,1,0,0,0|2,0,1]=4 131 B16R2.29551 CC=CC(=O)Nc1cccc2c1CCC2 22a_100000043548_100000210699 [0,0,1,0,0,0|2,0,1]=4 132 B16R2.29551 CCCC(=O)Nc1cccc2c1CCC2 11a_100000043548_100000211992 [0,0,1,0,0,0|2,0,0]=3 133 B16R2.29551 CCCC(=O)Nc1cccc2c1CCC2 1626a_100000043548_100000211992 [0,0,1,0,0,0|2,0,0]=3 134 B16R2.29551 CCCC(=O)Nc1cccc2c1CCC2 22a_100000043548_100000211992 [0,0,1,0,0,0|2,0,0]=3 135 B16R2.29551 CCCC(=O)Nc1cccc2c1CCC2 527a_100000043548_100000211992 [0,0,1,0,0,0|2,0,0]=3 136 B16R2.29551 CCCC(=O)Nc1cccc2c1CCO2 11a_100000084147_100000211992 [0,0,1,0,0,0|3,0,0]=4 137 B16R2.29551 CCCC(=O)Nc1cccc2c1CCO2 1626a_100000084147_100000211992 [0,0,1,0,0,0|3,0,0]=4 138 B16R2.29551 CCCC(=O)Nc1cccc2c1CCO2 22a_100000084147_100000211992 [0,0,1,0,0,0|3,0,0]=4 139 B16R2.29551 CCCC(=O)Nc1cccc2c1CCO2 527a_100000084147_100000211992 [0,0,1,0,0,0|3,0,0]=4 140 B16R2.29551 CCCC(=O)Nc1cccc2c1COC2 11a_100000125316_100000211992 [0,0,1,0,0,0|3,0,0]=4 141 B16R2.29551 CCCC(=O)Nc1cccc2c1COC2 1626a_100000125316_100000211992 [0,0,1,0,0,0|3,0,0]=4 142 B16R2.29551 CCCC(=O)Nc1cccc2c1COC2 22a_100000125316_100000211992 [0,0,1,0,0,0|3,0,0]=4 143 B16R2.29551 CCCC(=O)Nc1cccc2c1COC2 527a_100000125316_100000211992 [0,0,1,0,0,0|3,0,0]=4 144 B16R2.29551 CCCC(=O)Nc1cccc2c1OCC2 11a_100000102157_100000211992 [0,0,1,0,0,0|3,0,0]=4 145 B16R2.29551 CCCC(=O)Nc1cccc2c1OCC2 1626a_100000102157_100000211992 [0,0,1,0,0,0|3,0,0]=4 146 B16R2.29551 CCCC(=O)Nc1cccc2c1OCC2 22a_100000102157_100000211992 [0,0,1,0,0,0|3,0,0]=4 147 B16R2.29551 CCCC(=O)Nc1cccc2c1OCC2 527a_100000102157_100000211992 [0,0,1,0,0,0|3,0,0]=4 148 B16R2.29551 CCCC(C)Nc1cccc2c1CCC2 2230a_100000043548_100000766640 [0,0,1,0,0,0|2,0,1]=4 149 B16R2.29551 CCCC(C)Nc1cccc2c1CCC2 34a_100000043548_100000766640 [0,0,1,0,0,0|2,0,1]=4 150 B16R2.29551 CCNC(=O)Nc1cccc2c1CCC2 2430a_100000043548_100015525214 [0,0,1,0,0,0|1,0,0]=2 151 B16R2.29551 CCNC(=O)Nc1cccc2c1CCO2 2430a_100000084147_100015525214 [0,0,1,0,0,0|2,0,0]=3 152 B16R2.29551 CCNC(=O)Nc1cccc2c1CCO2 512a_100000084147_100015525214 [0,0,1,0,0,0|2,0,0]=3 153 B16R2.29551 CCNC(=O)Nc1cccc2c1COC2 2430a_100000125316_100015525214 [0,0,1,0,0,0|2,0,0]=3 154 B16R2.29551 CCNC(=O)Nc1cccc2c1COC2 512a_100000125316_100015525214 [0,0,1,0,0,0|2,0,0]=3 155 B16R2.29551 CCNC(=O)Nc1cccc2c1OCC2 2430a_100000102157_100015525214 [0,0,1,0,0,0|2,0,0]=3 156 B16R2.29551 CCNC(=O)Nc1cccc2c1OCC2 512a_100000102157_100015525214 [0,0,1,0,0,0|2,0,0]=3 157 B16R2.29551 CCNC(=O)Nc1cccc2c1OCO2 2430a_100000699912_100015525214 [0,0,1,0,0,0|3,0,0]=4 158 B16R2.29551 CNNC(=O)Nc1cccc2c1CCO2 512a_100000084147_100016993582 [0,0,1,0,0,0|3,0,0]=4 159 B16R2.29551 CNNC(=O)Nc1cccc2c1COC2 512a_100000125316_100016993582 [0,0,1,0,0,0|3,0,0]=4 160 B16R2.29551 CNNC(=O)Nc1cccc2c1OCC2 512a_100000102157_100016993582 [0,0,1,0,0,0|3,0,0]=4 161 B16R2.29551 COCC(=O)Nc1cccc2c1CCC2 11a_100000043548_100000210968 [0,0,1,0,0,0|3,0,0]=4 162 B16R2.29551 COCC(=O)Nc1cccc2c1CCC2 1626a_100000043548_100000210968 [0,0,1,0,0,0|3,0,0]=4 163 B16R2.29551 COCC(=O)Nc1cccc2c1CCC2 22a_100000043548_100000210968 [0,0,1,0,0,0|3,0,0]=4 164 B16R2.29551 COCC(=O)Nc1cccc2c1CCC2 527a_100000043548_100000210968 [0,0,1,0,0,0|3,0,0]=4 165 B16R2.29551 CSCC(=O)Nc1cccc2c1CCC2 11a_100000043548_100000184570 [0,0,1,0,0,0|3,0,0]=4 166 B16R2.29551 CSCC(=O)Nc1cccc2c1CCC2 1626a_100000043548_100000184570 [0,0,1,0,0,0|3,0,0]=4 167 B16R2.29551 CSCC(=O)Nc1cccc2c1CCC2 22a_100000043548_100000184570 [0,0,1,0,0,0|3,0,0]=4 168 B16R2.29551 CSCC(=O)Nc1cccc2c1CCC2 527a_100000043548_100000184570 [0,0,1,0,0,0|3,0,0]=4 169 B16R2.29551 O=C(CCO)Nc1cccc2c1CCC2 22a_100000043548_100011216618 [0,0,1,0,0,0|3,0,0]=4 170 B16R3.2208 c1cc(c2c(c1)OCC2)NC3CCC3 34a_100000084147_100000749161 [0,0,0,0,1,0|2,0,1]=4 171 B16R3.2208 c1cc(c2c(n1)CCC2)NC3CCC3 27a_100000749019_100000102697 [0,0,0,0,1,0|2,0,1]=4 172 B16R3.2208 c1cc2c(c(c1)CN3CCC3)CCC2 26a_100000754969_100000074356 [0,0,0,0,1,0|3,0,0]=4 173 B16R3.2208 c1cc2c(c(c1)NC3CCC3)CCC2 34a_100000043548_100000749161 [0,0,0,0,1,0|1,0,1]=3 174 B16R3.2208 c1cc2c(c(c1)NC3CCC3)COC2 34a_100000125316_100000749161 [0,0,0,0,1,0|2,0,1]=4 175 B16R3.2208 c1cc2c(c(c1)NC3CCC3)OCC2 34a_100000102157_100000749161 [0,0,0,0,1,0|2,0,1]=4 176 B16R3.2208 c1cc2c(c(c1)NC3COC3)CCC2 34a_100000043548_100009818527 [0,0,0,0,1,0|2,0,1]=4 177 B16R3.2208 c1cc2c(c(c1)OC3CCC3)CCC2 34a_100000074356_100000749161 [0,0,0,0,1,0|2,0,1]=4 178 B16R3.2208 c1cc2c(c(c1)SC3CCC3)CCC2 62a_100010343934_100000749161 [0,0,0,0,1,0|2,0,1]=4 179 B16R3.5924 C1=C(CCC1)c2cccc3c2CCC3 271570a_100000089523_100010343934 [0,0,0,0,1,0|2,0,0]=3 180 B16R3.5924 C1=C(CCC1)c2cccc3c2CCN3 271570a_100000089523_100009817896 [0,0,0,0,1,0|3,0,0]=4 181 B16R3.5924 C1=C(CCC1)c2cccc3c2CCO3 271570a_100000089523_100009819624 [0,0,0,0,1,0|3,0,0]=4 182 B16R3.5924 C1=C(CCC1)c2cccc3c2CNC3 271570a_100000089523_100000703859 [0,0,0,0,1,0|3,0,0]=4 183 B16R3.5924 C1=C(CCC1)c2cccc3c2COC3 271570a_100000089523_100010384907 [0,0,0,0,1,0|3,0,0]=4 184 B16R3.5924 C1=C(CCC1)c2cccc3c2NCC3 271570a_100000089523_100016995435 [0,0,0,0,1,0|3,0,0]=4 185 B16R3.5924 C1=C(CCC1)c2cccc3c2OCC3 271570a_100000089523_100009818991 [0,0,0,0,1,0|3,0,0]=4 186 B16R3.5924 C1=C(CCC1)c2ccnc3c2CCC3 271570a_100000089523_100000102697 [0,0,0,0,1,0|3,0,0]=4 187 B16R3.5924 C1=C(CCO1)c2cccc3c2CCC3 271570a_100000118173_100010343934 [0,0,0,0,1,0|3,0,0]=4 188 B16R3.5924 C1=C(COC1)c2cccc3c2CCC3 271570a_100009872500_100010343934 [0,0,0,0,1,0|3,0,0]=4 189 B16R3.5924 c1c[nH]c(n1)c2ccnc3c2CCC3 271570a_100016988920_100000102697 [0,0,0,0,1,0|1,0,2]=4 190 B16R3.5924 c1cc2c(c(c1)c3c[nH]cn3)CCC2 271570a_100010144219_100000756875 [0,0,0,0,1,0|2,0,1]=4 191 B16R3.5924 c1cc2c(c(c1)c3cc[nH]n3)CCC2 271570a_100000062414_100010343934 [0,0,0,0,1,0|2,0,1]=4 192 B16R3.5924 c1cc2c(c(c1)c3cc[nH]n3)CCC2 271570a_100010144219_100000062575 [0,0,0,0,1,0|2,0,1]=4 193 B16R3.5924 c1cc2c(c(c1)c3ccsn3)CCC2 271570a_100010144219_100009818082 [0,0,0,0,1,0|2,0,1]=4 194 B16R3.5924 c1cc2c(c(c1)c3cscn3)CCC2 271570a_100010144219_100000751502 [0,0,0,0,1,0|2,0,1]=4 195 B16R3.5924 c1cc2c(c(c1)c3nc[nH]n3)CCC2 271570a_100010144219_100000761765 [0,0,0,0,1,0|1,0,2]=4 196 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)CCC2 271570a_100010144219_100025796157 [0,0,0,0,1,0|0,0,2]=3 197 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)CCC2 271570a_100016988920_100010343934 [0,0,0,0,1,0|0,0,2]=3 198 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)CCN2 271570a_100016988920_100009817896 [0,0,0,0,1,0|1,0,2]=4 199 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)CCO2 271570a_100016988920_100009819624 [0,0,0,0,1,0|1,0,2]=4 200 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)CNC2 271570a_100016988920_100000703859 [0,0,0,0,1,0|1,0,2]=4 201 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)COC2 271570a_100016988920_100010384907 [0,0,0,0,1,0|1,0,2]=4 202 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)NCC2 271570a_100016988920_100016995435 [0,0,0,0,1,0|1,0,2]=4 203 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)OCC2 271570a_100012360005_100025796157 [0,0,0,0,1,0|1,0,2]=4 204 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)OCC2 271570a_100016988920_100009818991 [0,0,0,0,1,0|1,0,2]=4 205 B16R3.5924 c1cc2c(c(c1)c3ncco3)CCC2 271570a_100010144219_100011787736 [0,0,0,0,1,0|1,0,2]=4 206 B16R3.5924 c1cc2c(c(c1)c3nccs3)CCC2 271570a_100010144219_100000211983 [0,0,0,0,1,0|1,0,2]=4 207 B16R3.5924 c1cc2c(c(c1)c3ncns3)CCC2 271570a_100010144219_100000693119 [0,0,0,0,1,0|2,0,1]=4 208 B16R3.5924 c1cc2c(c(c1)c3nncs3)CCC2 271570a_100010144219_100000739804 [0,0,0,0,1,0|2,0,1]=4 209 B18R3.11 C(=C1CCCC1)c2cccc3c2CCCC3 271570a_100010378317_100012354034 [0,0,0,0,0,1|3,0,0]=4 210 B18R3.11 C(=C1CCCC1)c2cccc3c2CCCN3 271570a_100010378317_100010196365 [0,0,0,0,0,1|3,0,0]=4 211 B18R3.11 C(=C1CCCC1)c2cccc3c2CCCO3 271570a_100010378317_100010188023 [0,0,0,0,0,1|3,0,0]=4 212 B18R3.11 C(=C1CCCC1)c2cccc3c2CCNC3 271570a_100010378317_100000756787 [0,0,0,0,0,1|3,0,0]=4 213 B18R3.11 C(=C1CCCC1)c2cccc3c2CNCC3 271570a_100010378317_100000687140 [0,0,0,0,0,1|3,0,0]=4 214 B18R3.11 C(=C1CCCC1)c2cccc3c2OCCC3 271570a_100010378317_100010204675 [0,0,0,0,0,1|3,0,0]=4 215 B18R3.11 c1cc2c(c(c1)NC3CCCC3)CCCC2 2230a_100000212177_100000179811 [0,0,0,0,0,1|2,0,1]=4 216 B18R3.11 c1cc2c(c(c1)NC3CCCC3)CCCC2 34a_100000212177_100000179811 [0,0,0,0,0,1|2,0,1]=4 217 B18R3.11 c1cc2c(c(c1)Nc3ncns3)CCCC2 27a_100000212177_100000693119 [0,0,0,0,0,1|2,0,1]=4 218 B18R3.11 c1cc2c(c(c1)Nc3nncs3)CCCC2 27a_100000212177_100000739804 [0,0,0,0,0,1|2,0,1]=4 219 B18R3.11 c1cc2c(c(c1)Sc3ncc[nH]3)CCCC2 62a_100012354034_100025796157 [0,0,0,0,0,1|1,0,2]=4 220 B18R3.11 c1cc2c(c(c1)Sc3ncc[nH]3)CCCC2 62a_100025796157_100012354034 [0,0,0,0,0,1|1,0,2]=4 221 B18R3.11 c1cc2c(c(c1)Sc3ncc[nH]3)CCCN2 62a_100010196365_100025796157 [0,0,0,0,0,1|1,0,2]=4 222 B18R3.11 c1cc2c(c(c1)Sc3ncc[nH]3)CCCN2 62a_100025796157_100010196365 [0,0,0,0,0,1|1,0,2]=4 223 B18R3.11 c1cc2c(c(c1)Sc3ncc[nH]3)CCCO2 62a_100010188023_100025796157 [0,0,0,0,0,1|1,0,2]=4 224 B18R3.11 c1cc2c(c(c1)Sc3ncc[nH]3)CCCO2 62a_100025796157_100010188023 [0,0,0,0,0,1|1,0,2]=4 225 B18R3.11 c1cc2c(c(c1)Sc3ncc[nH]3)CCNC2 62a_100000756787_100025796157 [0,0,0,0,0,1|1,0,2]=4 226 B18R3.11 c1cc2c(c(c1)Sc3ncc[nH]3)CCNC2 62a_100025796157_100000756787 [0,0,0,0,0,1|1,0,2]=4 227 B18R3.11 c1cc2c(c(c1)Sc3ncc[nH]3)CNCC2 62a_100000687140_100025796157 [0,0,0,0,0,1|1,0,2]=4 228 B18R3.11 c1cc2c(c(c1)Sc3ncc[nH]3)CNCC2 62a_100025796157_100000687140 [0,0,0,0,0,1|1,0,2]=4 229 B18R3.11 c1cc2c(c(c1)Sc3ncc[nH]3)OCCC2 62a_100010204675_100025796157 [0,0,0,0,0,1|1,0,2]=4 230 B18R3.11 c1cc2c(c(c1)Sc3ncc[nH]3)OCCC2 62a_100025796157_100010204675 [0,0,0,0,0,1|1,0,2]=4 231 B18R3.2115 C1=CC(CCC1)Nc2cccc3c2CCC3 2230a_100000043548_100000751183 [0,0,0,0,0,1|2,0,1]=4 232 B18R3.2115 c1cc2c(c(c1)NC3CCCCC3)CCC2 34a_100000043548_100000210327 [0,0,0,0,0,1|2,0,1]=4 233 B18R3.2115 c1cc2c(c(c1)NC3CCCOC3)CCC2 34a_100000043548_100000693364 [0,0,0,0,0,1|2,0,1]=4 234 B18R3.2115 c1cc2c(c(c1)NC3CCSCC3)CCC2 34a_100000043548_100000069128 [0,0,0,0,0,1|2,0,1]=4 235 B18R3.2115 c1cc2c(c(c1)Nc3ccncn3)CCC2 27a_100000043548_100000703185 [0,0,0,0,0,1|1,0,2]=4 236 B18R3.2115 c1cc2c(c(c1)Nc3cnccn3)CCC2 27a_100000043548_100000211759 [0,0,0,0,0,1|0,0,3]=4 237 B18R3.2115 c1cnc(nc1)Nc2cccc3c2CCC3 27a_100000043548_100000211032 [0,0,0,0,0,1|0,0,3]=4 238 B18R3.2115 c1cnnc(c1)Nc2cccc3c2CCC3 27a_100000043548_100016991348 [0,0,0,0,0,1|1,0,2]=4 239 B18R3.12721 C1=Cc2cccc(c2C1)SCC3=NCCN3 62a_100000737910_100009844718 [0,0,0,0,0,1|1,0,2]=4 240 B18R3.12721 C1=Cc2cccc(c2C1)SCC3=NCCN3 62a_100009844718_100000737910 [0,0,0,0,0,1|1,0,2]=4 241 B18R3.12721 c1c[nH]c(n1)CNc2ccnc3c2CCC3 27a_100000754540_100000102697 [0,0,0,0,0,1|1,0,2]=4 242 B18R3.12721 c1cc(c2c(c1)OCC2)NCC3=NCCN3 34a_100000084147_100000737910 [0,0,0,0,0,1|1,0,0]=2 243 B18R3.12721 c1cc(c2c(c1)OCC2)NCc3ncc[nH]3 207a_100000084147_100000743867 [0,0,0,0,0,1|1,0,2]=4 244 B18R3.12721 c1cc(c2c(c1)OCC2)NCc3ncc[nH]3 2230a_100000084147_100016991755 [0,0,0,0,0,1|1,0,2]=4 245 B18R3.12721 c1cc(c2c(c1)OCC2)NCc3ncc[nH]3 34a_100000084147_100016991755 [0,0,0,0,0,1|1,0,2]=4 246 B18R3.12721 c1cc(c2c(c1)OCC2)NCc3nnn[nH]3 34a_100000084147_100000765167 [0,0,0,0,0,1|3,0,0]=4 247 B18R3.12721 c1cc(c2c(c1)OCO2)NCC3=NCCN3 34a_100000699912_100000737910 [0,0,0,0,0,1|2,0,0]=3 248 B18R3.12721 c1cc(c2c(n1)CCC2)NCc3nnc[nH]3 27a_200015183720_100000102697 [0,0,0,0,0,1|2,0,1]=4 249 B18R3.12721 c1cc(c2c(n1)CCC2)NCc3nnn[nH]3 27a_100000739814_100000102697 [0,0,0,0,0,1|3,0,0]=4 250 B18R3.12721 c1cc(c2c(n1)CCC2)SCC3=NCCN3 62a_100000102697_100000737910 [0,0,0,0,0,1|2,0,0]=3 251 B18R3.12721 c1cc(c2c(n1)CCC2)SCC3=NCCN3 62a_100000737910_100000102697 [0,0,0,0,0,1|2,0,0]=3 252 B18R3.12721 c1cc(c2ccsc2c1)NCC3=NCCN3 34a_100020628958_100000737910 [0,0,0,0,0,1|1,0,2]=4 253 B18R3.12721 c1cc(c2ncoc2c1)NCC3=NCCN3 34a_100000717946_100000737910 [0,0,0,0,0,1|2,0,1]=4 254 B18R3.12721 c1cc(c2scnc2c1)NCC3=NCCN3 34a_100000099145_100000737910 [0,0,0,0,0,1|2,0,1]=4 255 B18R3.12721 c1cc2c(c(c1)NCC3=NCCN3)CCC2 34a_100000043548_100000737910 [0,0,0,0,0,1|0,0,0]=1 256 B18R3.12721 c1cc2c(c(c1)NCC3=NCCN3)COC2 34a_100000125316_100000737910 [0,0,0,0,0,1|1,0,0]=2 257 B18R3.12721 c1cc2c(c(c1)NCC3=NCCN3)OCC2 34a_100000102157_100000737910 [0,0,0,0,0,1|1,0,0]=2 258 B18R3.12721 c1cc2c(c(c1)NCC3CCCC3)CCC2 2230a_100000043548_100000740388 [0,0,0,0,0,1|2,0,1]=4 259 B18R3.12721 c1cc2c(c(c1)NCC3CCCC3)CCC2 34a_100000043548_100000740388 [0,0,0,0,0,1|2,0,1]=4 260 B18R3.12721 c1cc2c(c(c1)NCC3CCCO3)CCC2 2230a_100000043548_100000203698 [0,0,0,0,0,1|2,0,1]=4 261 B18R3.12721 c1cc2c(c(c1)NCC3OCCO3)CCC2 2230a_100000043548_100000755774 [0,0,0,0,0,1|2,0,1]=4 262 B18R3.12721 c1cc2c(c(c1)NCC3OCCO3)CCC2 34a_100000043548_100000755774 [0,0,0,0,0,1|2,0,1]=4 263 B18R3.12721 c1cc2c(c(c1)NCc3c[nH]cn3)CCC2 2230a_100000043548_100000707719 [0,0,0,0,0,1|2,0,1]=4 264 B18R3.12721 c1cc2c(c(c1)NCc3c[nH]cn3)CCC2 34a_100000043548_100000707719 [0,0,0,0,0,1|2,0,1]=4 265 B18R3.12721 c1cc2c(c(c1)NCc3cc[nH]n3)CCC2 207a_100000043548_100000738523 [0,0,0,0,0,1|2,0,1]=4 266 B18R3.12721 c1cc2c(c(c1)NCc3ccn[nH]3)CCC2 2230a_100000043548_100000728653 [0,0,0,0,0,1|2,0,1]=4 267 B18R3.12721 c1cc2c(c(c1)NCc3ccn[nH]3)CCC2 34a_100000043548_100000728653 [0,0,0,0,0,1|2,0,1]=4 268 B18R3.12721 c1cc2c(c(c1)NCc3ccon3)CCC2 2230a_100000043548_100000234950 [0,0,0,0,0,1|2,0,1]=4 269 B18R3.12721 c1cc2c(c(c1)NCc3ccon3)CCC2 34a_100000043548_100000234950 [0,0,0,0,0,1|2,0,1]=4 270 B18R3.12721 c1cc2c(c(c1)NCc3cnc[nH]3)CCC2 207a_100000043548_100000742939 [0,0,0,0,0,1|2,0,1]=4 271 B18R3.12721 c1cc2c(c(c1)NCc3cscn3)CCC2 207a_100000043548_100000743575 [0,0,0,0,0,1|2,0,1]=4 272 B18R3.12721 c1cc2c(c(c1)NCc3cscn3)CCC2 2230a_100000043548_100000205941 [0,0,0,0,0,1|2,0,1]=4 273 B18R3.12721 c1cc2c(c(c1)NCc3cscn3)CCC2 270302a_100000043548_100000743575 [0,0,0,0,0,1|2,0,1]=4 274 B18R3.12721 c1cc2c(c(c1)NCc3cscn3)CCC2 34a_100000043548_100000205941 [0,0,0,0,0,1|2,0,1]=4 275 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)CCC2 207a_100000043548_100000743867 [0,0,0,0,0,1|0,0,2]=3 276 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)CCC2 2230a_100000043548_100016991755 [0,0,0,0,0,1|0,0,2]=3 277 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)CCC2 34a_100000043548_100016991755 [0,0,0,0,0,1|0,0,2]=3 278 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)COC2 207a_100000125316_100000743867 [0,0,0,0,0,1|1,0,2]=4 279 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)COC2 2230a_100000125316_100016991755 [0,0,0,0,0,1|1,0,2]=4 280 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)COC2 34a_100000125316_100016991755 [0,0,0,0,0,1|1,0,2]=4 281 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)OCC2 207a_100000102157_100000743867 [0,0,0,0,0,1|1,0,2]=4 282 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)OCC2 2230a_100000102157_100016991755 [0,0,0,0,0,1|1,0,2]=4 283 B18R3.12721 c1cc2c(c(c1)NCc3ncc[nH]3)OCC2 34a_100000102157_100016991755 [0,0,0,0,0,1|1,0,2]=4 284 B18R3.12721 c1cc2c(c(c1)NCc3ncco3)CCC2 2230a_100000043548_103436540062 [0,0,0,0,0,1|1,0,2]=4 285 B18R3.12721 c1cc2c(c(c1)NCc3ncco3)CCC2 34a_100000043548_103436540062 [0,0,0,0,0,1|1,0,2]=4 286 B18R3.12721 c1cc2c(c(c1)NCc3nccs3)CCC2 207a_100000043548_100000750902 [0,0,0,0,0,1|1,0,2]=4 287 B18R3.12721 c1cc2c(c(c1)NCc3nccs3)CCC2 2230a_100000043548_100015184050 [0,0,0,0,0,1|1,0,2]=4 288 B18R3.12721 c1cc2c(c(c1)NCc3nccs3)CCC2 270302a_100000043548_100000750902 [0,0,0,0,0,1|1,0,2]=4 289 B18R3.12721 c1cc2c(c(c1)NCc3nccs3)CCC2 34a_100000043548_100015184050 [0,0,0,0,0,1|1,0,2]=4 290 B18R3.12721 c1cc2c(c(c1)NCc3ncon3)CCC2 34a_100000043548_100000233494 [0,0,0,0,0,1|1,0,2]=4 291 B18R3.12721 c1cc2c(c(c1)NCc3nnn[nH]3)CCC2 34a_100000043548_100000765167 [0,0,0,0,0,1|2,0,0]=3 292 B18R3.12721 c1cc2c(c(c1)NCc3nnn[nH]3)COC2 34a_100000125316_100000765167 [0,0,0,0,0,1|3,0,0]=4 293 B18R3.12721 c1cc2c(c(c1)NCc3nnn[nH]3)OCC2 34a_100000102157_100000765167 [0,0,0,0,0,1|3,0,0]=4 294 B18R3.12721 c1cc2c(c(c1)OCC3=NCCN3)CCC2 34a_100000074356_100000737910 [0,0,0,0,0,1|1,0,0]=2 295 B18R3.12721 c1cc2c(c(c1)OCC3=NCCN3)CCC2 7a_100000074356_100000737910 [0,0,0,0,0,1|1,0,0]=2 296 B18R3.12721 c1cc2c(c(c1)OCC3=NCCN3)CCN2 34a_100000703684_100000737910 [0,0,0,0,0,1|2,0,0]=3 297 B18R3.12721 c1cc2c(c(c1)OCC3=NCCN3)CCO2 34a_100000090053_100000737910 [0,0,0,0,0,1|2,0,0]=3 298 B18R3.12721 c1cc2c(c(c1)OCC3=NCCN3)CCO2 7a_100000090053_100000737910 [0,0,0,0,0,1|2,0,0]=3 299 B18R3.12721 c1cc2c(c(c1)OCC3=NCCN3)CNC2 34a_100015191671_100000737910 [0,0,0,0,0,1|2,0,0]=3 300 B18R3.12721 c1cc2c(c(c1)OCC3=NCCN3)OCO2 34a_100000046630_100000737910 [0,0,0,0,0,1|3,0,0]=4 301 B18R3.12721 c1cc2c(c(c1)OCC3=NCCN3)OCO2 7a_100000046630_100000737910 [0,0,0,0,0,1|3,0,0]=4 302 B18R3.12721 c1cc2c(c(c1)OCc3ncc[nH]3)CCC2 34a_100000074356_100016991755 [0,0,0,0,0,1|1,0,2]=4 303 B18R3.12721 c1cc2c(c(c1)OCc3ncc[nH]3)CCC2 7a_100000074356_100000753453 [0,0,0,0,0,1|1,0,2]=4 304 B18R3.12721 c1cc2c(c(c1)OCc3nnn[nH]3)CCC2 34a_100000074356_100000765167 [0,0,0,0,0,1|3,0,0]=4 305 B18R3.12721 c1cc2c(c(c1)OCc3nnn[nH]3)CCC2 7a_100000074356_100000765167 [0,0,0,0,0,1|3,0,0]=4 306 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)CCC2 62a_100000737910_100010343934 [0,0,0,0,0,1|1,0,0]=2 307 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)CCC2 62a_100010343934_100000737910 [0,0,0,0,0,1|1,0,0]=2 308 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)CCN2 62a_100000737910_100009817896 [0,0,0,0,0,1|2,0,0]=3 309 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)CCN2 62a_100009817896_100000737910 [0,0,0,0,0,1|2,0,0]=3 310 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)CCO2 62a_100000737910_100009819624 [0,0,0,0,0,1|2,0,0]=3 311 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)CCO2 62a_100009819624_100000737910 [0,0,0,0,0,1|2,0,0]=3 312 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)CNC2 62a_100000703859_100000737910 [0,0,0,0,0,1|2,0,0]=3 313 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)CNC2 62a_100000737910_100000703859 [0,0,0,0,0,1|2,0,0]=3 314 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)COC2 62a_100000737910_100010384907 [0,0,0,0,0,1|2,0,0]=3 315 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)COC2 62a_100010384907_100000737910 [0,0,0,0,0,1|2,0,0]=3 316 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)NCC2 62a_100000737910_100016995435 [0,0,0,0,0,1|2,0,0]=3 317 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)NCC2 62a_100016995435_100000737910 [0,0,0,0,0,1|2,0,0]=3 318 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)OCC2 62a_100000737910_100009818991 [0,0,0,0,0,1|2,0,0]=3 319 B18R3.12721 c1cc2c(c(c1)SCC3=NCCN3)OCC2 62a_100009818991_100000737910 [0,0,0,0,0,1|2,0,0]=3 320 B18R3.12721 c1cc2c(c(c1)SCc3ncc[nH]3)CCC2 62a_100010343934_100016991755 [0,0,0,0,0,1|1,0,2]=4 321 B18R3.12721 c1cc2c(c(c1)SCc3ncc[nH]3)CCC2 62a_100016991755_100010343934 [0,0,0,0,0,1|1,0,2]=4 322 B18R3.12721 c1cc2c(c(c1)SCc3nnn[nH]3)CCC2 62a_100000765167_100010343934 [0,0,0,0,0,1|3,0,0]=4 323 B18R3.12721 c1cc2c(c(c1)SCc3nnn[nH]3)CCC2 62a_100010343934_100000765167 [0,0,0,0,0,1|3,0,0]=4 324 B18R3.12721 c1cc2c(c(n1)SCC3=NCCN3)CCN2 62a_100000104060_100000737910 [0,0,0,0,0,1|3,0,0]=4 325 B18R3.12721 c1cc2c(c(n1)SCC3=NCCN3)CCN2 62a_100000737910_100000104060 [0,0,0,0,0,1|3,0,0]=4 326 B18R3.12721 c1nc2c(c(n1)SCC3=NCCN3)CCC2 62a_100000737910_100000750143 [0,0,0,0,0,1|3,0,0]=4 327 B18R3.12721 c1nc2c(c(n1)SCC3=NCCN3)CCC2 62a_100000750143_100000737910 [0,0,0,0,0,1|3,0,0]=4 328 B15R2.4278 CCCC=Cc1cccc2c1CCC2 271570a_100016258520_100010343934 [1,0,1,0,0,0|2,0,0]=4 329 B15R2.4278 CCCCNc1cccc2c1CCC2 2230a_100000043548_100000210211 [1,0,1,0,0,0|1,0,1]=4 330 B15R2.4278 CCCCNc1cccc2c1CCC2 34a_100000043548_100000210210 [1,0,1,0,0,0|1,0,1]=4 331 B15R2.4278 CCOC=Cc1cccc2c1CCC2 271570a_100016256518_100010343934 [1,0,1,0,0,0|2,0,0]=4 332 B15R2.4278 FCCCNc1cccc2c1CCC2 2230a_100000043548_100011934791 [1,0,1,0,0,0|1,0,1]=4 333 B15R2.4278 FCCCNc1cccc2c1CCC2 34a_100000043548_100011934791 [1,0,1,0,0,0|1,0,1]=4 334 B15R2.4278 OCCCNc1cccc2c1CCC2 2230a_100000043548_100000230001 [1,0,1,0,0,0|1,0,1]=4 335 B15R2.4278 OCCCNc1cccc2c1CCC2 34a_100000043548_100000230001 [1,0,1,0,0,0|1,0,1]=4 336 B15R2.19139 CCC(=O)Nc1cccc2c1CCC2 11a_100000043548_100000210414 [1,0,1,0,0,0|1,0,0]=3 337 B15R2.19139 CCC(=O)Nc1cccc2c1CCC2 1626a_100000043548_100000210414 [1,0,1,0,0,0|1,0,0]=3 338 B15R2.19139 CCC(=O)Nc1cccc2c1CCC2 22a_100000043548_100000210414 [1,0,1,0,0,0|1,0,0]=3 339 B15R2.19139 CCC(=O)Nc1cccc2c1CCC2 527a_100000043548_100000210414 [1,0,1,0,0,0|1,0,0]=3 340 B15R2.19139 CCC(=O)Nc1cccc2c1CCO2 11a_100000084147_100000210414 [1,0,1,0,0,0|2,0,0]=4 341 B15R2.19139 CCC(=O)Nc1cccc2c1CCO2 1626a_100000084147_100000210414 [1,0,1,0,0,0|2,0,0]=4 342 B15R2.19139 CCC(=O)Nc1cccc2c1CCO2 22a_100000084147_100000210414 [1,0,1,0,0,0|2,0,0]=4 343 B15R2.19139 CCC(=O)Nc1cccc2c1CCO2 527a_100000084147_100000210414 [1,0,1,0,0,0|2,0,0]=4 344 B15R2.19139 CCC(=O)Nc1cccc2c1COC2 11a_100000125316_100000210414 [1,0,1,0,0,0|2,0,0]=4 345 B15R2.19139 CCC(=O)Nc1cccc2c1COC2 1626a_100000125316_100000210414 [1,0,1,0,0,0|2,0,0]=4 346 B15R2.19139 CCC(=O)Nc1cccc2c1COC2 22a_100000125316_100000210414 [1,0,1,0,0,0|2,0,0]=4 347 B15R2.19139 CCC(=O)Nc1cccc2c1COC2 527a_100000125316_100000210414 [1,0,1,0,0,0|2,0,0]=4 348 B15R2.19139 CCC(=O)Nc1cccc2c1OCC2 11a_100000102157_100000210414 [1,0,1,0,0,0|2,0,0]=4 349 B15R2.19139 CCC(=O)Nc1cccc2c1OCC2 1626a_100000102157_100000210414 [1,0,1,0,0,0|2,0,0]=4 350 B15R2.19139 CCC(=O)Nc1cccc2c1OCC2 22a_100000102157_100000210414 [1,0,1,0,0,0|2,0,0]=4 351 B15R2.19139 CCC(=O)Nc1cccc2c1OCC2 527a_100000102157_100000210414 [1,0,1,0,0,0|2,0,0]=4 352 B15R2.19139 CCC(C)Nc1cccc2c1CCC2 2230a_100000043548_100000758301 [1,0,1,0,0,0|1,0,1]=4 353 B15R2.19139 CCC(C)Nc1cccc2c1CCC2 34a_100000043548_100011215416 [1,0,1,0,0,0|1,0,1]=4 354 B15R2.19139 CNC(=O)Nc1cccc2c1CCC2 2430a_100000043548_100102657272 [1,0,1,0,0,0|1,0,0]=3 355 B15R2.19139 CNC(=O)Nc1cccc2c1CCO2 2430a_100000084147_100102657272 [1,0,1,0,0,0|2,0,0]=4 356 B15R2.19139 CNC(=O)Nc1cccc2c1CCO2 512a_100000084147_100102657272 [1,0,1,0,0,0|2,0,0]=4 357 B15R2.19139 CNC(=O)Nc1cccc2c1COC2 2430a_100000125316_100102657272 [1,0,1,0,0,0|2,0,0]=4 358 B15R2.19139 CNC(=O)Nc1cccc2c1COC2 512a_100000125316_100102657272 [1,0,1,0,0,0|2,0,0]=4 359 B15R2.19139 CNC(=O)Nc1cccc2c1OCC2 2430a_100000102157_100102657272 [1,0,1,0,0,0|2,0,0]=4 360 B15R2.19139 CNC(=O)Nc1cccc2c1OCC2 512a_100000102157_100102657272 [1,0,1,0,0,0|2,0,0]=4 361 B15R2.19139 O=C(CO)Nc1cccc2c1CCC2 22a_100000043548_100000210174 [1,0,1,0,0,0|2,0,0]=4 362 B15R2.19139 O=C(CO)Nc1cccc2c1CCC2 527a_100000043548_100000210174 [1,0,1,0,0,0|2,0,0]=4 363 B17R2.5890 CCCc1ccccc1Nc2ncnn2C 27a_100000737634_100000732653 [0,1,1,0,0,0|1,0,1]=4 364 B17R2.74423 C#CCNC(=O)Nc1cccc2c1CCC2 2430a_100000043548_100000212058 [0,1,1,0,0,0|1,0,1]=4 365 B17R2.74423 C=CCNC(=O)Nc1cccc2c1CCC2 2430a_100000043548_100020586998 [0,1,1,0,0,0|1,0,1]=4 366 B17R2.74423 CCCCC(=O)Nc1cccc2c1CCC2 11a_100000043548_100000210183 [0,1,1,0,0,0|2,0,0]=4 367 B17R2.74423 CCCCC(=O)Nc1cccc2c1CCC2 1626a_100000043548_100000210183 [0,1,1,0,0,0|2,0,0]=4 368 B17R2.74423 CCCCC(=O)Nc1cccc2c1CCC2 22a_100000043548_100000210183 [0,1,1,0,0,0|2,0,0]=4 369 B17R2.74423 CCCCC(=O)Nc1cccc2c1CCC2 527a_100000043548_100000210183 [0,1,1,0,0,0|2,0,0]=4 370 B17R2.74423 CCCNC(=O)Nc1cccc2c1CCC2 2430a_100000043548_100020643023 [0,1,1,0,0,0|1,0,0]=3 371 B17R2.74423 CCCNC(=O)Nc1cccc2c1CCO2 2430a_100000084147_100020643023 [0,1,1,0,0,0|2,0,0]=4 372 B17R2.74423 CCCNC(=O)Nc1cccc2c1CCO2 512a_100000084147_100020643023 [0,1,1,0,0,0|2,0,0]=4 373 B17R2.74423 CCCNC(=O)Nc1cccc2c1COC2 2430a_100000125316_100020643023 [0,1,1,0,0,0|2,0,0]=4 374 B17R2.74423 CCCNC(=O)Nc1cccc2c1COC2 512a_100000125316_100020643023 [0,1,1,0,0,0|2,0,0]=4 375 B17R2.74423 CCCNC(=O)Nc1cccc2c1OCC2 2430a_100000102157_100020643023 [0,1,1,0,0,0|2,0,0]=4 376 B17R2.74423 CCCNC(=O)Nc1cccc2c1OCC2 512a_100000102157_100020643023 [0,1,1,0,0,0|2,0,0]=4 377 B17R2.74423 N#CCNC(=O)Nc1cccc2c1CCC2 2430a_100000043548_100000734998 [0,1,1,0,0,0|0,0,2]=4 378 B17R2.74423 O=C(NCCF)Nc1cccc2c1CCC2 2430a_100000043548_100000724931 [0,1,1,0,0,0|1,0,0]=3 379 B17R2.74423 O=C(NCCF)Nc1cccc2c1CCO2 2430a_100000084147_100000724931 [0,1,1,0,0,0|2,0,0]=4 380 B17R2.74423 O=C(NCCF)Nc1cccc2c1CCO2 512a_100000084147_100000724931 [0,1,1,0,0,0|2,0,0]=4 381 B17R2.74423 O=C(NCCF)Nc1cccc2c1COC2 2430a_100000125316_100000724931 [0,1,1,0,0,0|2,0,0]=4 382 B17R2.74423 O=C(NCCF)Nc1cccc2c1COC2 512a_100000125316_100000724931 [0,1,1,0,0,0|2,0,0]=4 383 B17R2.74423 O=C(NCCF)Nc1cccc2c1OCC2 2430a_100000102157_100000724931 [0,1,1,0,0,0|2,0,0]=4 384 B17R2.74423 O=C(NCCF)Nc1cccc2c1OCC2 512a_100000102157_100000724931 [0,1,1,0,0,0|2,0,0]=4 385 B17R2.74423 O=C(NCCO)Nc1cccc2c1CCC2 2430a_100000043548_100000210304 [0,1,1,0,0,0|1,0,0]=3 386 B17R2.74423 O=C(NCCO)Nc1cccc2c1CCO2 2430a_100000084147_100000210304 [0,1,1,0,0,0|2,0,0]=4 387 B17R2.74423 O=C(NCCO)Nc1cccc2c1CCO2 512a_100000084147_100000210304 [0,1,1,0,0,0|2,0,0]=4 388 B17R2.74423 O=C(NCCO)Nc1cccc2c1COC2 2430a_100000125316_100000210304 [0,1,1,0,0,0|2,0,0]=4 389 B17R2.74423 O=C(NCCO)Nc1cccc2c1COC2 512a_100000125316_100000210304 [0,1,1,0,0,0|2,0,0]=4 390 B17R2.74423 O=C(NCCO)Nc1cccc2c1OCC2 2430a_100000102157_100000210304 [0,1,1,0,0,0|2,0,0]=4 391 B17R2.74423 O=C(NCCO)Nc1cccc2c1OCC2 512a_100000102157_100000210304 [0,1,1,0,0,0|2,0,0]=4 392 B17R2.6888 CCC(C)C(=O)Nc1cccc2c1CCC2 11a_100000043548_100011192722 [0,1,1,0,0,0|2,0,0]=4 393 B17R2.6888 CCC(C)C(=O)Nc1cccc2c1CCC2 1626a_100000043548_100011192722 [0,1,1,0,0,0|2,0,0]=4 394 B17R2.6888 CCC(C)C(=O)Nc1cccc2c1CCC2 22a_100000043548_100011192722 [0,1,1,0,0,0|2,0,0]=4 395 B17R2.6888 CCC(C)C(=O)Nc1cccc2c1CCC2 527a_100000043548_100011192722 [0,1,1,0,0,0|2,0,0]=4 396 B17R2.6888 CCC(O)C(=O)Nc1cccc2c1CCC2 22a_100000043548_100011196387 [0,1,1,0,0,0|2,0,0]=4 397 B17R2.6888 CCN(C)C(=O)Nc1cccc2c1CCC2 2430a_100000043548_100000225621 [0,1,1,0,0,0|1,0,0]=3 398 B17R2.6888 CCN(C)C(=O)Nc1cccc2c1CCO2 2430a_100000084147_100000225621 [0,1,1,0,0,0|2,0,0]=4 399 B17R2.6888 CCN(C)C(=O)Nc1cccc2c1COC2 2430a_100000125316_100000225621 [0,1,1,0,0,0|2,0,0]=4 400 B17R2.6888 CCN(C)C(=O)Nc1cccc2c1OCC2 2430a_100000102157_100000225621 [0,1,1,0,0,0|2,0,0]=4 401 B17R2.49546 CCNC(=O)Nc1cccc2c1OC(C2)C 2430a_100000124160_100015525214 [0,1,1,0,0,0|2,0,0]=4 402 B17R2.49546 CCNC(=O)Nc1cccc2c1OC(C2)C 512a_100000124160_100015525214 [0,1,1,0,0,0|2,0,0]=4 403 B17R2.75117 CCCC(=O)Nc1ccc(c2c1CCC2)I 11a_200010751103_100000211992 [0,1,1,0,0,0|2,0,0]=4 404 B17R2.75117 CCCC(=O)Nc1ccc(c2c1CCC2)I 1626a_200010751103_100000211992 [0,1,1,0,0,0|2,0,0]=4 405 B17R2.75117 CCCC(=O)Nc1ccc(c2c1CCC2)I 22a_200010751103_100000211992 [0,1,1,0,0,0|2,0,0]=4 406 B17R2.75117 CCCC(=O)Nc1ccc(c2c1CCC2)I 527a_200010751103_100000211992 [0,1,1,0,0,0|2,0,0]=4 407 B17R2.75117 CCNC(=O)Nc1ccc(c2c1CCC2)I 2430a_200010751103_100015525214 [0,1,1,0,0,0|1,0,0]=3 408 B17R2.75126 CCNC(=O)Nc1cc(cc2c1OCC2)F 2430a_200009983616_100015525214 [0,1,1,0,0,0|2,0,0]=4 409 B17R2.75126 CCNC(=O)Nc1cc(cc2c1OCC2)F 512a_200009983616_100015525214 [0,1,1,0,0,0|2,0,0]=4 410 B17R2.75163 CCCC(=O)Nc1c(ccc2c1CCC2)Br 11a_202495424074_100000211992 [0,1,1,0,0,0|2,0,0]=4 411 B17R2.75163 CCCC(=O)Nc1c(ccc2c1CCC2)Br 1626a_202495424074_100000211992 [0,1,1,0,0,0|2,0,0]=4 412 B17R2.75163 CCCC(=O)Nc1c(ccc2c1CCC2)C 11a_202495413831_100000211992 [0,1,1,0,0,0|2,0,0]=4 413 B17R2.75163 CCCC(=O)Nc1c(ccc2c1CCC2)C 1626a_202495413831_100000211992 [0,1,1,0,0,0|2,0,0]=4 414 B17R2.75163 CCCC(=O)Nc1c(ccc2c1CCC2)C 22a_202495413831_100000211992 [0,1,1,0,0,0|2,0,0]=4 415 B17R2.75163 CCNC(=O)Nc1c(ccc2c1CCC2)C 2430a_202495413831_100015525214 [0,1,1,0,0,0|1,0,0]=3 416 B17R2.147063 CC(C)CC(=O)Nc1cccc2c1CCC2 11a_100000043548_100000210554 [0,1,1,0,0,0|2,0,0]=4 417 B17R2.147063 CC(C)CC(=O)Nc1cccc2c1CCC2 1626a_100000043548_100000210554 [0,1,1,0,0,0|2,0,0]=4 418 B17R2.147063 CC(C)CC(=O)Nc1cccc2c1CCC2 22a_100000043548_100000210554 [0,1,1,0,0,0|2,0,0]=4 419 B17R2.147063 CC(C)CC(=O)Nc1cccc2c1CCC2 527a_100000043548_100000210554 [0,1,1,0,0,0|2,0,0]=4 420 B17R2.147063 CC(C)NC(=O)Nc1cccc2c1CCC2 2430a_100000043548_100138425928 [0,1,1,0,0,0|1,0,0]=3 421 B17R2.147063 CC(C)NC(=O)Nc1cccc2c1CCO2 2430a_100000084147_100138425928 [0,1,1,0,0,0|2,0,0]=4 422 B17R2.147063 CC(C)NC(=O)Nc1cccc2c1CCO2 512a_100000084147_100138425928 [0,1,1,0,0,0|2,0,0]=4 423 B17R2.147063 CC(C)NC(=O)Nc1cccc2c1COC2 2430a_100000125316_100138425928 [0,1,1,0,0,0|2,0,0]=4 424 B17R2.147063 CC(C)NC(=O)Nc1cccc2c1COC2 512a_100000125316_100138425928 [0,1,1,0,0,0|2,0,0]=4 425 B17R2.147063 CC(C)NC(=O)Nc1cccc2c1OCC2 2430a_100000102157_100138425928 [0,1,1,0,0,0|2,0,0]=4 426 B17R2.147063 CC(C)NC(=O)Nc1cccc2c1OCC2 512a_100000102157_100138425928 [0,1,1,0,0,0|2,0,0]=4 427 B17R2.147063 C[C@@H](O)CC(=O)Nc1cccc2c1CCC2 22a_100000043548_100011933948 [0,1,1,0,0,0|2,0,0]=4 428 B17R3.4525 O=C1CCC1Nc2cccc3c2CCC3 34a_100000043548_100009892977 [0,1,0,0,1,0|1,0,1]=4 429 B17R3.31705 Brc1ccc2c(c1NC3CCC3)CCC2 34a_202495424074_100000749161 [0,1,0,0,1,0|1,0,1]=4 430 B17R3.31705 Cc1ccc2c(c1NC3CCC3)CCC2 34a_202495413831_100000749161 [0,1,0,0,1,0|1,0,1]=4 431 B17R3.56295 Ic1ccc(c2c1CCC2)NC3CCC3 34a_200010751103_100000749161 [0,1,0,0,1,0|1,0,1]=4 432 B17R3.3 NC1CCc2c1cccc2C3=CCCC3 271570a_100000089523_100000751068 [0,1,0,0,1,0|2,0,0]=4 433 B17R3.3 NC1CCc2c1cccc2c3ncc[nH]3 271570a_100016988920_100000751068 [0,1,0,0,1,0|0,0,2]=4 434 B17R3.3 O[C@H]1CCc2c1cccc2C3=CCCC3 271570a_100000089523_100010080924 [0,1,0,0,1,0|2,0,0]=4 435 B17R3.3 O[C@H]1CCc2c1cccc2c3ncc[nH]3 271570a_100016988920_100010080924 [0,1,0,0,1,0|0,0,2]=4 436 B17R3.135 OC1Cc2cccc(c2C1)C3=CCCC3 271570a_100000089523_100010752598 [0,1,0,0,1,0|2,0,0]=4 437 B17R3.135 OC1Cc2cccc(c2C1)c3ncc[nH]3 271570a_100016988920_100010752598 [0,1,0,0,1,0|0,0,2]=4 438 B17R3.2637 Cn1ccnc1c2cccc3c2CCC3 271570a_100010144219_100000707724 [0,1,0,0,1,0|0,0,2]=4 439 B17R3.2637 Cn1ncnc1c2cccc3c2CCC3 271570a_100010144219_100000732653 [0,1,0,0,1,0|1,0,1]=4 440 B17R3.4837 Nc1ccc(c2c1CCC2)C3=CCCC3 271570a_100000089523_200010751103 [0,1,0,0,1,0|2,0,0]=4 441 B17R3.4837 Nc1ccc(c2c1CCC2)c3ncc[nH]3 271570a_100016988920_200010751103 [0,1,0,0,1,0|0,0,2]=4 442 B17R3.17527 Cc1c[nH]c(n1)c2cccc3c2CCC3 271570a_100010144219_100161115468 [0,1,0,0,1,0|0,0,2]=4 443 B17R3.30068 NC1CCc2c1c(ccc2)C3=CCCC3 271570a_100000089523_100103168669 [0,1,0,0,1,0|2,0,0]=4 444 B17R3.30068 NC1CCc2c1c(ccc2)c3ncc[nH]3 271570a_100016988920_100103168669 [0,1,0,0,1,0|0,0,2]=4 445 B19R3.163 Cn1ncnc1Nc2cccc3c2CCCC3 27a_100000212177_100000732653 [0,1,0,0,0,1|1,0,1]=4 446 B19R3.5502 O=C1NCCCC1Nc2cccc3c2CCC3 2230a_100000043548_100000687798 [0,1,0,0,0,1|1,0,1]=4 447 B19R3.5502 O=C1NCCCC1Nc2cccc3c2CCC3 34a_100000043548_100000687798 [0,1,0,0,0,1|1,0,1]=4 448 B19R3.11 NC1CCc2c1cccc2SCC3=NCCN3 62a_100000737910_100000751068 [0,1,0,0,0,1|1,0,0]=3 449 B19R3.11 NC1CCc2c1cccc2SCC3=NCCN3 62a_100000751068_100000737910 [0,1,0,0,0,1|1,0,0]=3 450 B19R3.11 NC1COc2c1cccc2SCC3=NCCN3 62a_100000737910_100025715106 [0,1,0,0,0,1|2,0,0]=4 451 B19R3.11 NC1COc2c1cccc2SCC3=NCCN3 62a_100025715106_100000737910 [0,1,0,0,0,1|2,0,0]=4 452 B19R3.11 N[C@H]1CCc2c1cccc2OCC3=NCCN3 34a_100134616730_100000737910 [0,1,0,0,0,1|1,0,0]=3 453 B19R3.11 O=C1CCc2c1cccc2OCC3=NCCN3 34a_100000240044_100000737910 [0,1,0,0,0,1|1,0,1]=4 454 B19R3.11 O=C1CCc2c1cccc2OCC3=NCCN3 7a_100000240044_100000737910 [0,1,0,0,0,1|1,0,1]=4 455 B19R3.11 O=C1CCc2c1cccc2SCC3=NCCN3 62a_100000049675_100000737910 [0,1,0,0,0,1|1,0,1]=4 456 B19R3.11 O=C1CCc2c1cccc2SCC3=NCCN3 62a_100000737910_100000049675 [0,1,0,0,0,1|1,0,1]=4 457 B19R3.11 OC1CCc2c1nccc2SCC3=NCCN3 62a_100000737910_100009868430 [0,1,0,0,0,1|2,0,0]=4 458 B19R3.11 OC1CCc2c1nccc2SCC3=NCCN3 62a_100009868430_100000737910 [0,1,0,0,0,1|2,0,0]=4 459 B19R3.11 O[C@H]1CCc2c1cccc2SCC3=NCCN3 62a_100000737910_100010080924 [0,1,0,0,0,1|1,0,0]=3 460 B19R3.11 O[C@H]1CCc2c1cccc2SCC3=NCCN3 62a_100010080924_100000737910 [0,1,0,0,0,1|1,0,0]=3 461 B19R3.5843 Brc1ccc2c(c1NCC3=NCCN3)CCC2 34a_202495424074_100000737910 [0,1,0,0,0,1|0,0,0]=2 462 B19R3.5843 Brc1ccc2c(c1NCc3ncc[nH]3)CCC2 2230a_202495424074_100016991755 [0,1,0,0,0,1|0,0,2]=4 463 B19R3.5843 Brc1ccc2c(c1NCc3ncc[nH]3)CCC2 34a_202495424074_100016991755 [0,1,0,0,0,1|0,0,2]=4 464 B19R3.5843 Brc1ccc2c(c1NCc3nnn[nH]3)CCC2 34a_202495424074_100000765167 [0,1,0,0,0,1|2,0,0]=4 465 B19R3.5843 Brc1ccc2c(c1OCC3=NCCN3)CCC2 34a_100010662108_100000737910 [0,1,0,0,0,1|1,0,0]=3 466 B19R3.5843 Brc1ccc2c(c1OCC3=NCCN3)CCC2 7a_100010662108_100000737910 [0,1,0,0,0,1|1,0,0]=3 467 B19R3.5843 Cc1ccc2c(c1NCC3=NCCN3)CCC2 34a_202495413831_100000737910 [0,1,0,0,0,1|0,0,0]=2 468 B19R3.5843 Cc1ccc2c(c1NCc3ncc[nH]3)CCC2 207a_202495413831_100000743867 [0,1,0,0,0,1|0,0,2]=4 469 B19R3.5843 Cc1ccc2c(c1NCc3ncc[nH]3)CCC2 2230a_202495413831_100016991755 [0,1,0,0,0,1|0,0,2]=4 470 B19R3.5843 Cc1ccc2c(c1NCc3ncc[nH]3)CCC2 34a_202495413831_100016991755 [0,1,0,0,0,1|0,0,2]=4 471 B19R3.5843 Cc1ccc2c(c1NCc3nnn[nH]3)CCC2 34a_202495413831_100000765167 [0,1,0,0,0,1|2,0,0]=4 472 B19R3.5843 Clc1ccc2c(c1NCC3=NCCN3)OCO2 34a_100000087791_100000737910 [0,1,0,0,0,1|2,0,0]=4 473 B19R3.5843 Fc1ccc2c(c1NCC3=NCCN3)OCO2 34a_100000091648_100000737910 [0,1,0,0,0,1|2,0,0]=4 474 B19R3.8617 Fc1cc2c(c(c1)NCC3=NCCN3)OCC2 34a_200009983616_100000737910 [0,1,0,0,0,1|1,0,0]=3 475 B19R3.8793 Cn1ccnc1CNc2cccc3c2CCC3 207a_100000043548_100000748660 [0,1,0,0,0,1|0,0,2]=4 476 B19R3.8793 Cn1ccnc1CNc2cccc3c2CCC3 2230a_100000043548_100000700302 [0,1,0,0,0,1|0,0,2]=4 477 B19R3.8793 Cn1ccnc1CNc2cccc3c2CCC3 34a_100000043548_100000700302 [0,1,0,0,0,1|0,0,2]=4 478 B19R3.9758 CC1Cc2cccc(c2O1)NCC3=NCCN3 34a_100000124160_100000737910 [0,1,0,0,0,1|1,0,0]=3 479 B19R3.9758 O=C1Cc2cccc(c2C1)SCC3=NCCN3 62a_100010205903_100000737910 [0,1,0,0,0,1|1,0,1]=4 480 B19R3.9758 OC1Cc2cccc(c2C1)SCC3=NCCN3 62a_100000737910_100010752598 [0,1,0,0,0,1|1,0,0]=3 481 B19R3.9758 OC1Cc2cccc(c2C1)SCC3=NCCN3 62a_100010752598_100000737910 [0,1,0,0,0,1|1,0,0]=3 482 B19R3.51160 Cc1c[nH]c(n1)CNc2cccc3c2CCC3 207a_100000043548_100000082322 [0,1,0,0,0,1|0,0,2]=4 483 B19R3.51160 O=c1[nH]nc([nH]1)CNc2cccc3c2CCC3 2230a_100000043548_100000754189 [0,1,0,0,0,1|1,0,1]=4 484 B19R3.167525 Cc1ccc(c2c1CCC2)OCC3=NCCN3 34a_100000035953_100000737910 [0,1,0,0,0,1|1,0,0]=3 485 B19R3.167525 Cc1ccc(c2c1CCC2)OCC3=NCCN3 7a_100000035953_100000737910 [0,1,0,0,0,1|1,0,0]=3 486 B19R3.167525 Clc1ccc(c2c1CCC2)OCC3=NCCN3 34a_100000073669_100000737910 [0,1,0,0,0,1|1,0,0]=3 487 B19R3.167525 Clc1ccc(c2c1CCC2)OCC3=NCCN3 7a_100000073669_100000737910 [0,1,0,0,0,1|1,0,0]=3 488 B19R3.167525 Ic1ccc(c2c1CCC2)NCC3=NCCN3 34a_200010751103_100000737910 [0,1,0,0,0,1|0,0,0]=2 489 B19R3.167525 Ic1ccc(c2c1CCC2)NCc3ncc[nH]3 207a_200010751103_100000743867 [0,1,0,0,0,1|0,0,2]=4 490 B19R3.167525 Ic1ccc(c2c1CCC2)NCc3ncc[nH]3 34a_200010751103_100016991755 [0,1,0,0,0,1|0,0,2]=4 491 B19R3.167525 Ic1ccc(c2c1CCC2)NCc3nnn[nH]3 34a_200010751103_100000765167 [0,1,0,0,0,1|2,0,0]=4 492 B19R3.167525 Nc1ccc(c2c1CCC2)SCC3=NCCN3 62a_100000737910_200010751103 [0,1,0,0,0,1|1,0,0]=3 493 B19R3.167525 Nc1ccc(c2c1CCC2)SCC3=NCCN3 62a_200010751103_100000737910 [0,1,0,0,0,1|1,0,0]=3 494 B19R3.202519 O=C(Nc1cccc2c1CCC2)C3=CCCC3 11a_100000043548_100000038896 [0,1,0,0,0,1|2,0,0]=4 495 B19R3.202519 O=C(Nc1cccc2c1CCC2)C3=CCCC3 1626a_100000043548_100000038896 [0,1,0,0,0,1|2,0,0]=4 496 B19R3.202519 O=C(Nc1cccc2c1CCC2)C3=CCCC3 22a_100000043548_100000038896 [0,1,0,0,0,1|2,0,0]=4 497 B19R3.2417404 NC1CCc2c1c(ccc2)SCC3=NCCN3 62a_100000737910_100103168669 [0,1,0,0,0,1|1,0,0]=3 498 B19R3.2417404 NC1CCc2c1c(ccc2)SCC3=NCCN3 62a_100103168669_100000737910 [0,1,0,0,0,1|1,0,0]=3 499 B19R3.2417404 O=C1CCc2c1c(ccc2)OCC3=NCCN3 34a_100000066596_100000737910 [0,1,0,0,0,1|1,0,1]=4 500 B19R3.2417404 O=C1CCc2c1c(ccc2)OCC3=NCCN3 7a_100000066596_100000737910 [0,1,0,0,0,1|1,0,1]=4 501 B19R3.2417404 O=C1CCc2c1c(ccc2)SCC3=NCCN3 62a_100000737910_100009816781 [0,1,0,0,0,1|1,0,1]=4 502 B19R3.2417404 O=C1CCc2c1c(ccc2)SCC3=NCCN3 62a_100009816781_100000737910 [0,1,0,0,0,1|1,0,1]=4 503 B19R3.2417404 OC1CSc2c1c(ccc2)SCC3=NCCN3 62a_100000737910_200010991195 [0,1,0,0,0,1|2,0,0]=4 504 B19R3.2417404 OC1CSc2c1c(ccc2)SCC3=NCCN3 62a_200010991195_100000737910 [0,1,0,0,0,1|2,0,0]=4 505 B19R3.2582 N#Cc1n[nH]c(n1)Nc2cccc3c2CCC3 27a_100000043548_200010752602 [0,2,0,0,0,0|1,0,1]=4 506 B19R3.274604 CCn1ncnc1Nc2cccc3c2CCC3 27a_100000043548_100009879425 [0,2,0,0,0,0|1,0,1]=4 507 B19R3.328112 Cc1ccc2c(c1Nc3ncnn3C)CCC2 27a_202495413831_100000732653 [0,2,0,0,0,0|1,0,1]=4 508 B19R3.328112 Cn1ncnc1Nc2c(ccc3c2CCC3)Br 27a_202495424074_100000732653 [0,2,0,0,0,0|1,0,1]=4 509 B19R3.328721 Cn1ncnc1Nc2ccc(c3c2CCC3)I 27a_200010751103_100000732653 [0,2,0,0,0,0|1,0,1]=4 510 B15R1.9453 CCNC(=O)Nc1cccc(c1)CCO 512a_100011996697_100015525214 [0,0,2,0,0,0|2,0,0]=4 511 B15R1.9453 CCNC(=O)Nc1cccc(c1)COC 2430a_100000737370_100015525214 [0,0,2,0,0,0|2,0,0]=4 512 B15R1.9453 CCNC(=O)Nc1cccc(c1)COC 512a_100000737370_100015525214 [0,0,2,0,0,0|2,0,0]=4 513 B15R1.9453 CCNC(=O)Nc1cccc(c1)OCC 2430a_100000742568_100015525214 [0,0,2,0,0,0|2,0,0]=4 514 B15R1.1270 CCNC(=O)Nc1cccc(c1C)CO 2430a_102495339961_100015525214 [0,0,2,0,0,0|2,0,0]=4 515 B15R1.1270 CCNC(=O)Nc1cccc(c1C)OC 2430a_100011244893_100015525214 [0,0,2,0,0,0|2,0,0]=4 516 B15R1.1270 CCNC(=O)Nc1cccc(c1C)OC 512a_100011244893_100015525214 [0,0,2,0,0,0|2,0,0]=4 517 B15R1.3880 CCCC(=O)Nc1ccccc1CCC 11a_100000737634_100000211992 [0,0,2,0,0,0|2,0,0]=4 518 B15R1.3880 CCCC(=O)Nc1ccccc1CCC 1626a_100000737634_100000211992 [0,0,2,0,0,0|2,0,0]=4 519 B15R1.3880 CCCC(=O)Nc1ccccc1CCC 22a_100000737634_100000211992 [0,0,2,0,0,0|2,0,0]=4 520 B15R1.3880 CCCC(=O)Nc1ccccc1CCC 527a_100000737634_100000211992 [0,0,2,0,0,0|2,0,0]=4 521 B15R1.3880 CCCc1ccccc1NC(=O)NCC 2430a_100000737634_100015525214 [0,0,2,0,0,0|1,0,0]=3 522 B15R1.3880 CCCc1ccccc1NC(=O)NCC 512a_100000737634_100015525214 [0,0,2,0,0,0|1,0,0]=3 523 B15R1.3880 CCCc1ccccc1NC(=O)NNC 512a_100000737634_100016993582 [0,0,2,0,0,0|2,0,0]=4 524 B15R1.3880 CCNC(=O)Nc1ccccc1OCC 2430a_100000211218_100015525214 [0,0,2,0,0,0|2,0,0]=4 525 B15R1.3880 CCNC(=O)Nc1ccccc1SCC 2430a_100011223125_100015525214 [0,0,2,0,0,0|2,0,0]=4 526 B15R1.3880 CCNC(=O)Nc1ccccc1SCC 512a_100011223125_100015525214 [0,0,2,0,0,0|2,0,0]=4 527 B15R1.2546 CCNC(=O)Nc1cccc(c1OC)C 2430a_100012017360_100015525214 [0,0,2,0,0,0|2,0,0]=4 528 B15R1.2546 CCNC(=O)Nc1cccc(c1OC)C 512a_100012017360_100015525214 [0,0,2,0,0,0|2,0,0]=4 529 B17R3.484355 O=C(Nc1cccc2c1CCC2)C3CC3 11a_100000043548_100000210395 [0,0,1,1,0,0|2,0,0]=4 530 B17R3.484355 O=C(Nc1cccc2c1CCC2)C3CC3 1626a_100000043548_100000210395 [0,0,1,1,0,0|2,0,0]=4 531 B17R3.484355 O=C(Nc1cccc2c1CCC2)C3CC3 22a_100000043548_100000210395 [0,0,1,1,0,0|2,0,0]=4 532 B17R3.484355 O=C(Nc1cccc2c1CCC2)C3CC3 527a_100000043548_100000210395 [0,0,1,1,0,0|2,0,0]=4 533 B15R2.68 CCCc1cccc(c1)C2=CCCC2 271570a_100000089523_100000694964 [0,0,1,0,1,0|2,0,0]=4 534 B15R2.68 CCCc1cccc(c1)c2ncc[nH]2 271570a_100013575481_100025796157 [0,0,1,0,1,0|0,0,2]=4 535 B15R2.68 CCCc1cccc(c1)c2ncc[nH]2 271570a_100016988920_100000694964 [0,0,1,0,1,0|0,0,2]=4 536 B15R2.16721 CCCc1ccccc1NC2CCC2 34a_100000737634_100000749161 [0,0,1,0,1,0|1,0,1]=4 537 B15R2.17340 CCCC(=O)c1cccc2c1CCC2 1458a_100000051556_100000210303 [0,0,1,0,1,0|2,0,0]=4 538 B15R2.17340 CCNC(=O)c1cccc2c1CCC2 11a_100015525214_100000051556 [0,0,1,0,1,0|1,0,0]=3 539 B15R2.17340 CCNC(=O)c1cccc2c1CCC2 240690a_100015525214_100000051556 [0,0,1,0,1,0|1,0,0]=3 540 B15R2.17340 CCNC(=O)c1cccc2c1CCC2 527a_100015525214_100000051556 [0,0,1,0,1,0|1,0,0]=3 541 B15R2.17340 CCNC(=O)c1cccc2c1OCC2 11a_100015525214_100011216994 [0,0,1,0,1,0|2,0,0]=4 542 B15R2.17340 CCNC(=O)c1cccc2c1OCC2 240690a_100015525214_100011216994 [0,0,1,0,1,0|2,0,0]=4 543 B15R2.17340 CCNC(=O)c1cccc2c1OCC2 527a_100015525214_100011216994 [0,0,1,0,1,0|2,0,0]=4 544 B15R2.17340 CNNC(=O)c1cccc2c1CCC2 22a_100016993582_100000051556 [0,0,1,0,1,0|2,0,0]=4 545 B15R3.4382 c1cc(c2c(c1)OCC2)NC3CC3 34a_100000084147_100000211595 [0,0,0,0,2,0|1,0,1]=4 546 B15R3.4382 c1cc(c2c(n1)CCC2)NC3CC3 27a_100000212008_100000102697 [0,0,0,0,2,0|1,0,1]=4 547 B15R3.4382 c1cc2c(c(c1)NC3CC3)CCC2 34a_100000043548_100000211595 [0,0,0,0,2,0|0,0,1]=3 548 B15R3.4382 c1cc2c(c(c1)NC3CC3)COC2 34a_100000125316_100000211595 [0,0,0,0,2,0|1,0,1]=4 549 B15R3.4382 c1cc2c(c(c1)NC3CC3)OCC2 34a_100000102157_100000211595 [0,0,0,0,2,0|1,0,1]=4 550 B15R3.4382 c1cc2c(c(c1)OC3CC3)CCC2 34a_100000074356_100000211595 [0,0,0,0,2,0|1,0,1]=4 551 B15R3.4382 c1cc2c(c(c1)SC3CC3)CCC2 62a_100010343934_100000211595 [0,0,0,0,2,0|1,0,1]=4 552 B17R2.5846 CCCc1cccc(c1)OCC2=NCCN2 34a_100000039106_100000737910 [0,0,1,0,0,1|1,0,0]=3 553 B17R2.5846 CCCc1cccc(c1)OCC2=NCCN2 7a_100000039106_100000737910 [0,0,1,0,0,1|1,0,0]=3 554 B17R2.5846 CCCc1cccc(c1)SCC2=NCCN2 62a_100000694964_100000737910 [0,0,1,0,0,1|1,0,0]=3 555 B17R2.5846 CCCc1cccc(c1)SCC2=NCCN2 62a_100000737910_100000694964 [0,0,1,0,0,1|1,0,0]=3 556 B17R2.5846 CCNc1cccc(c1)OCC2=NCCN2 34a_100000717746_100000737910 [0,0,1,0,0,1|2,0,0]=4 557 B17R2.5846 CCNc1cccc(c1)OCC2=NCCN2 7a_100000717746_100000737910 [0,0,1,0,0,1|2,0,0]=4 558 B17R2.5846 CCNc1cccc(c1)SCC2=NCCN2 62a_100000737910_100000738899 [0,0,1,0,0,1|2,0,0]=4 559 B17R2.5846 CCOc1cccc(c1)NCC2=NCCN2 34a_100000742568_100000737910 [0,0,1,0,0,1|1,0,0]=3 560 B17R2.5846 CCOc1cccc(c1)OCC2=NCCN2 34a_100011215941_100000737910 [0,0,1,0,0,1|2,0,0]=4 561 B17R2.5846 CCOc1cccc(c1)OCC2=NCCN2 7a_100011215941_100000737910 [0,0,1,0,0,1|2,0,0]=4 562 B17R2.5846 CCOc1cccc(c1)SCC2=NCCN2 62a_100000737910_100000170002 [0,0,1,0,0,1|2,0,0]=4 563 B17R2.5846 CCSc1cccc(c1)SCC2=NCCN2 62a_100000703699_100000737910 [0,0,1,0,0,1|2,0,0]=4 564 B17R2.5846 CCSc1cccc(c1)SCC2=NCCN2 62a_100000737910_100000703699 [0,0,1,0,0,1|2,0,0]=4 565 B17R2.5846 CNCc1cccc(c1)OCC2=NCCN2 34a_100000207540_100000737910 [0,0,1,0,0,1|2,0,0]=4 566 B17R2.5846 CNCc1cccc(c1)SCC2=NCCN2 62a_100000187585_100000737910 [0,0,1,0,0,1|2,0,0]=4 567 B17R2.5846 CNCc1cccc(c1)SCC2=NCCN2 62a_100000737910_100000187585 [0,0,1,0,0,1|2,0,0]=4 568 B17R2.5846 COCc1cccc(c1)NCC2=NCCN2 34a_100000737370_100000737910 [0,0,1,0,0,1|1,0,0]=3 569 B17R2.5846 COCc1cccc(c1)SCC2=NCCN2 62a_100000737910_100011493687 [0,0,1,0,0,1|2,0,0]=4 570 B17R2.5846 COCc1cccc(c1)SCC2=NCCN2 62a_100011493687_100000737910 [0,0,1,0,0,1|2,0,0]=4 571 B17R2.5846 N#CCc1cccc(c1)NCC2=NCCN2 34a_100000017804_100000737910 [0,0,1,0,0,1|1,0,1]=4 572 B17R2.5846 NCCc1cccc(c1)OCC2=NCCN2 34a_100000747277_100000737910 [0,0,1,0,0,1|2,0,0]=4 573 B17R2.5846 NCCc1cccc(c1)SCC2=NCCN2 62a_100000737910_100011207229 [0,0,1,0,0,1|2,0,0]=4 574 B17R2.5846 NCCc1cccc(c1)SCC2=NCCN2 62a_100011207229_100000737910 [0,0,1,0,0,1|2,0,0]=4 575 B17R2.5846 OCCc1cccc(c1)NCC2=NCCN2 34a_100011996697_100000737910 [0,0,1,0,0,1|1,0,0]=3 576 B17R2.5846 OCCc1cccc(c1)OCC2=NCCN2 34a_100011215281_100000737910 [0,0,1,0,0,1|2,0,0]=4 577 B17R2.5846 OCCc1cccc(c1)OCC2=NCCN2 7a_100011215281_100000737910 [0,0,1,0,0,1|2,0,0]=4 578 B17R2.5846 OCCc1cccc(c1)SCC2=NCCN2 62a_100000737910_100011217444 [0,0,1,0,0,1|2,0,0]=4 579 B17R2.5846 OCCc1cccc(c1)SCC2=NCCN2 62a_100011217444_100000737910 [0,0,1,0,0,1|2,0,0]=4 580 B17R2.2681 CCc1cccc(c1O)SCC2=NCCN2 62a_100000737910_200010001580 [0,0,1,0,0,1|2,0,0]=4 581 B17R2.2681 CCc1cccc(c1O)SCC2=NCCN2 62a_200010001580_100000737910 [0,0,1,0,0,1|2,0,0]=4 582 B17R2.2681 COc1cccc(c1Br)NCC2=NCCN2 34a_100000703447_100000737910 [0,0,1,0,0,1|2,0,0]=4 583 B17R2.2681 COc1cccc(c1C)NCC2=NCCN2 34a_100011244893_100000737910 [0,0,1,0,0,1|1,0,0]=3 584 B17R2.2681 COc1cccc(c1C)NCC2=NCCN2 7a_100011244893_100000737910 [0,0,1,0,0,1|1,0,0]=3 585 B17R2.2681 COc1cccc(c1C)SCC2=NCCN2 62a_100000737910_100010002647 [0,0,1,0,0,1|2,0,0]=4 586 B17R2.2681 COc1cccc(c1C)SCC2=NCCN2 62a_100010002647_100000737910 [0,0,1,0,0,1|2,0,0]=4 587 B17R2.2681 COc1cccc(c1Cl)NCC2=NCCN2 34a_100000089720_100000737910 [0,0,1,0,0,1|2,0,0]=4 588 B17R2.2681 COc1cccc(c1F)NCC2=NCCN2 34a_100000100910_100000737910 [0,0,1,0,0,1|2,0,0]=4 589 B17R2.2681 COc1cccc(c1I)NCC2=NCCN2 34a_100010245509_100000737910 [0,0,1,0,0,1|2,0,0]=4 590 B17R2.2681 COc1cccc(c1O)NCC2=NCCN2 34a_100000123586_100000737910 [0,0,1,0,0,1|2,0,0]=4 591 B17R2.2681 Cc1c(cccc1NCC2=NCCN2)CO 34a_102495339961_100000737910 [0,0,1,0,0,1|1,0,0]=3 592 B17R2.2681 Cc1c(cccc1OCC2=NCCN2)CO 34a_200000084602_100000737910 [0,0,1,0,0,1|2,0,0]=4 593 B17R2.2681 Cc1c(cccc1OCC2=NCCN2)CO 7a_200000084602_100000737910 [0,0,1,0,0,1|2,0,0]=4 594 B17R2.2681 Cc1c(cccc1SCC2=NCCN2)CN 62a_100000724210_100000737910 [0,0,1,0,0,1|2,0,0]=4 595 B17R2.2681 Cc1c(cccc1SCC2=NCCN2)CN 62a_100000737910_100000724210 [0,0,1,0,0,1|2,0,0]=4 596 B17R2.2681 Cc1c(cccc1SCC2=NCCN2)CO 62a_100000694458_100000737910 [0,0,1,0,0,1|2,0,0]=4 597 B17R2.2681 Cc1c(cccc1SCC2=NCCN2)CO 62a_100000737910_100000694458 [0,0,1,0,0,1|2,0,0]=4 598 B17R2.2681 OCc1cccc(c1F)NCC2=NCCN2 34a_100012023829_100000737910 [0,0,1,0,0,1|2,0,0]=4 599 B17R2.4343 BrCCc1ccccc1OCC2=NCCN2 34a_100000722297_100000737910 [0,0,1,0,0,1|2,0,0]=4 600 B17R2.4343 BrCCc1ccccc1OCC2=NCCN2 7a_100000722297_100000737910 [0,0,1,0,0,1|2,0,0]=4 601 B17R2.4343 C=CCc1ccccc1NCC2=NCCN2 34a_200138433279_100000737910 [0,0,1,0,0,1|0,0,2]=4 602 B17R2.4343 CCCc1ccccc1NCC2=NCCN2 34a_100000737634_100000737910 [0,0,1,0,0,1|0,0,0]=2 603 B17R2.4343 CCCc1ccccc1NCC2=NCCN2 7a_100000737634_100000737910 [0,0,1,0,0,1|0,0,0]=2 604 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 207a_100000737634_100000743867 [0,0,1,0,0,1|0,0,2]=4 605 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 2230a_100000737634_100016991755 [0,0,1,0,0,1|0,0,2]=4 606 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 34a_100000737634_100016991755 [0,0,1,0,0,1|0,0,2]=4 607 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 7a_100000737634_100000753453 [0,0,1,0,0,1|0,0,2]=4 608 B17R2.4343 CCCc1ccccc1NCc2nnn[nH]2 34a_100000737634_100000765167 [0,0,1,0,0,1|2,0,0]=4 609 B17R2.4343 CCCc1ccccc1NCc2nnn[nH]2 7a_100000737634_100000765167 [0,0,1,0,0,1|2,0,0]=4 610 B17R2.4343 CCCc1ccccc1OCC2=NCCN2 34a_100011217252_100000737910 [0,0,1,0,0,1|1,0,0]=3 611 B17R2.4343 CCCc1ccccc1OCC2=NCCN2 7a_100011217252_100000737910 [0,0,1,0,0,1|1,0,0]=3 612 B17R2.4343 CCNc1ccccc1OCC2=NCCN2 34a_103624766699_100000737910 [0,0,1,0,0,1|2,0,0]=4 613 B17R2.4343 CCNc1ccccc1OCC2=NCCN2 7a_103624766699_100000737910 [0,0,1,0,0,1|2,0,0]=4 614 B17R2.4343 CCNc1ccccc1SCC2=NCCN2 62a_100000737910_114873767003 [0,0,1,0,0,1|2,0,0]=4 615 B17R2.4343 CCNc1ccccc1SCC2=NCCN2 62a_114873767003_100000737910 [0,0,1,0,0,1|2,0,0]=4 616 B17R2.4343 CCOc1ccccc1NCC2=NCCN2 34a_100000211218_100000737910 [0,0,1,0,0,1|1,0,0]=3 617 B17R2.4343 CCOc1ccccc1OCC2=NCCN2 34a_100000211404_100000737910 [0,0,1,0,0,1|2,0,0]=4 618 B17R2.4343 CCOc1ccccc1OCC2=NCCN2 7a_100000211404_100000737910 [0,0,1,0,0,1|2,0,0]=4 619 B17R2.4343 CCOc1ccccc1SCC2=NCCN2 62a_100000230754_100000737910 [0,0,1,0,0,1|2,0,0]=4 620 B17R2.4343 CCOc1ccccc1SCC2=NCCN2 62a_100000737910_100000230754 [0,0,1,0,0,1|2,0,0]=4 621 B17R2.4343 CCSc1ccccc1NCC2=NCCN2 34a_100011223125_100000737910 [0,0,1,0,0,1|1,0,0]=3 622 B17R2.4343 CCSc1ccccc1SCC2=NCCN2 62a_100000230856_100000737910 [0,0,1,0,0,1|2,0,0]=4 623 B17R2.4343 CCSc1ccccc1SCC2=NCCN2 62a_100000737910_100000230856 [0,0,1,0,0,1|2,0,0]=4 624 B17R2.4343 CNCc1ccccc1OCC2=NCCN2 34a_100015189988_100000737910 [0,0,1,0,0,1|2,0,0]=4 625 B17R2.4343 CNCc1ccccc1SCC2=NCCN2 62a_100000184654_100000737910 [0,0,1,0,0,1|2,0,0]=4 626 B17R2.4343 CNCc1ccccc1SCC2=NCCN2 62a_100000737910_100000184654 [0,0,1,0,0,1|2,0,0]=4 627 B17R2.4343 COCc1ccccc1OCC2=NCCN2 34a_100011488565_100000737910 [0,0,1,0,0,1|2,0,0]=4 628 B17R2.4343 COCc1ccccc1OCC2=NCCN2 7a_100011488565_100000737910 [0,0,1,0,0,1|2,0,0]=4 629 B17R2.4343 COCc1ccccc1SCC2=NCCN2 62a_100000737910_100011493684 [0,0,1,0,0,1|2,0,0]=4 630 B17R2.4343 COCc1ccccc1SCC2=NCCN2 62a_100011493684_100000737910 [0,0,1,0,0,1|2,0,0]=4 631 B17R2.4343 CSCc1ccccc1SCC2=NCCN2 62a_100000148299_100000737910 [0,0,1,0,0,1|2,0,0]=4 632 B17R2.4343 CSCc1ccccc1SCC2=NCCN2 62a_100000737910_100000148299 [0,0,1,0,0,1|2,0,0]=4 633 B17R2.4343 NCCc1ccccc1OCC2=NCCN2 34a_100011207237_100000737910 [0,0,1,0,0,1|2,0,0]=4 634 B17R2.4343 NCCc1ccccc1SCC2=NCCN2 62a_100000737910_100000747383 [0,0,1,0,0,1|2,0,0]=4 635 B17R2.4343 NCCc1ccccc1SCC2=NCCN2 62a_100000747383_100000737910 [0,0,1,0,0,1|2,0,0]=4 636 B17R2.4343 OCCc1ccccc1NCC2=NCCN2 34a_100011215289_100000737910 [0,0,1,0,0,1|1,0,0]=3 637 B17R2.4343 OCCc1ccccc1OCC2=NCCN2 34a_100000719421_100000737910 [0,0,1,0,0,1|2,0,0]=4 638 B17R2.4343 OCCc1ccccc1OCC2=NCCN2 7a_100000719421_100000737910 [0,0,1,0,0,1|2,0,0]=4 639 B17R2.4343 OCCc1ccccc1SCC2=NCCN2 62a_100000731337_100000737910 [0,0,1,0,0,1|2,0,0]=4 640 B17R2.4343 OCCc1ccccc1SCC2=NCCN2 62a_100000737910_100000731337 [0,0,1,0,0,1|2,0,0]=4 641 B17R2.16287 COc1c(cccc1NCC2=NCCN2)Br 34a_100011935253_100000737910 [0,0,1,0,0,1|2,0,0]=4 642 B17R2.16287 COc1c(cccc1NCC2=NCCN2)C 34a_100012017360_100000737910 [0,0,1,0,0,1|1,0,0]=3 643 B17R2.16287 COc1c(cccc1NCC2=NCCN2)Cl 34a_100000743799_100000737910 [0,0,1,0,0,1|2,0,0]=4 644 B17R2.16287 COc1c(cccc1NCC2=NCCN2)F 34a_100011215007_100000737910 [0,0,1,0,0,1|2,0,0]=4 645 B17R2.16287 COc1c(cccc1SCC2=NCCN2)C 62a_100000737910_100010141385 [0,0,1,0,0,1|2,0,0]=4 646 B17R2.16287 COc1c(cccc1SCC2=NCCN2)C 62a_100010141385_100000737910 [0,0,1,0,0,1|2,0,0]=4 647 B17R2.16287 CSc1c(cccc1OCC2=NCCN2)C 34a_200000099257_100000737910 [0,0,1,0,0,1|2,0,0]=4 648 B17R2.16287 CSc1c(cccc1OCC2=NCCN2)C 7a_200000099257_100000737910 [0,0,1,0,0,1|2,0,0]=4 649 B17R2.16287 Cc1cccc(c1C#N)NCC2=NCCN2 34a_100000763283_100000737910 [0,0,1,0,0,1|1,0,1]=4 650 B17R2.16287 Cc1cccc(c1C#N)NCC2=NCCN2 7a_100000763283_100000737910 [0,0,1,0,0,1|1,0,1]=4 651 B17R2.16287 Cc1cccc(c1CO)OCC2=NCCN2 34a_200009874777_100000737910 [0,0,1,0,0,1|2,0,0]=4 652 B17R2.16287 Cc1cccc(c1CO)OCC2=NCCN2 7a_200009874777_100000737910 [0,0,1,0,0,1|2,0,0]=4 653 B17R2.16287 OCc1c(cccc1NCC2=NCCN2)Br 34a_100000747656_100000737910 [0,0,1,0,0,1|2,0,0]=4 654 B17R2.16287 OCc1c(cccc1NCC2=NCCN2)Cl 34a_100011916388_100000737910 [0,0,1,0,0,1|2,0,0]=4 655 B17R2.16287 OCc1c(cccc1NCC2=NCCN2)F 34a_100011846719_100000737910 [0,0,1,0,0,1|2,0,0]=4 656 B17R2.322318 CCCC(=O)Nc1cccc2c1CCCC2 11a_100000212177_100000211992 [0,0,1,0,0,1|2,0,0]=4 657 B17R2.322318 CCCC(=O)Nc1cccc2c1CCCC2 1626a_100000212177_100000211992 [0,0,1,0,0,1|2,0,0]=4 658 B17R2.322318 CCCC(=O)Nc1cccc2c1CCCC2 22a_100000212177_100000211992 [0,0,1,0,0,1|2,0,0]=4 659 B17R2.322318 CCCC(=O)Nc1cccc2c1CCCC2 527a_100000212177_100000211992 [0,0,1,0,0,1|2,0,0]=4 660 B17R2.322318 CCNC(=O)Nc1cccc2c1CCCC2 2430a_100000212177_100015525214 [0,0,1,0,0,1|1,0,0]=3 661 B17R2.322318 CCNC(=O)Nc1cccc2c1OCCO2 2430a_100000694162_100015525214 [0,0,1,0,0,1|2,0,0]=4 662 B17R2.322318 CCNC(=O)Nc1cccc2c1OCCO2 512a_100000694162_100015525214 [0,0,1,0,0,1|2,0,0]=4 663 B17R3.1968 c1cc2c(c(c1)NC3CCC3)CCCC2 34a_100000212177_100000749161 [0,0,0,0,1,1|1,0,1]=4 664 B19R3.4444 C1=CCc2c(cccc2OCC3=NCCN3)C1 34a_100000074931_100000737910 [0,0,0,0,0,2|1,0,1]=4 665 B19R3.4444 C1=CCc2c(cccc2OCC3=NCCN3)C1 7a_100000074931_100000737910 [0,0,0,0,0,2|1,0,1]=4 666 B19R3.4444 C1=NCCc2c1cccc2SCC3=NCCN3 62a_100000737910_100010982778 [0,0,0,0,0,2|1,0,1]=4 667 B19R3.4444 C1=NCCc2c1cccc2SCC3=NCCN3 62a_100010982778_100000737910 [0,0,0,0,0,2|1,0,1]=4 668 B19R3.4444 c1cc(c2c(c1)OCCO2)NCC3=NCCN3 34a_100000694162_100000737910 [0,0,0,0,0,2|1,0,0]=3 669 B19R3.4444 c1cc2c(c(c1)NCC3=NCCN3)CCCC2 34a_100000212177_100000737910 [0,0,0,0,0,2|0,0,0]=2 670 B19R3.4444 c1cc2c(c(c1)NCc3ncc[nH]3)CCCC2 207a_100000212177_100000743867 [0,0,0,0,0,2|0,0,2]=4 671 B19R3.4444 c1cc2c(c(c1)NCc3ncc[nH]3)CCCC2 2230a_100000212177_100016991755 [0,0,0,0,0,2|0,0,2]=4 672 B19R3.4444 c1cc2c(c(c1)NCc3ncc[nH]3)CCCC2 34a_100000212177_100016991755 [0,0,0,0,0,2|0,0,2]=4 673 B19R3.4444 c1cc2c(c(c1)NCc3nnn[nH]3)CCCC2 34a_100000212177_100000765167 [0,0,0,0,0,2|2,0,0]=4 674 B19R3.4444 c1cc2c(c(c1)OCC3=NCCN3)CCCC2 34a_100011202923_100000737910 [0,0,0,0,0,2|1,0,0]=3 675 B19R3.4444 c1cc2c(c(c1)OCC3=NCCN3)CCCC2 7a_100011202923_100000737910 [0,0,0,0,0,2|1,0,0]=3 676 B19R3.4444 c1cc2c(c(c1)OCC3=NCCN3)CCNC2 34a_100020635587_100000737910 [0,0,0,0,0,2|1,0,0]=3 677 B19R3.4444 c1cc2c(c(c1)OCC3=NCCN3)CNCC2 34a_100016995156_100000737910 [0,0,0,0,0,2|1,0,0]=3 678 B19R3.4444 c1cc2c(c(c1)OCC3=NCCN3)OCCO2 34a_100000045995_100000737910 [0,0,0,0,0,2|2,0,0]=4 679 B19R3.4444 c1cc2c(c(c1)OCC3=NCCN3)OCCO2 7a_100000045995_100000737910 [0,0,0,0,0,2|2,0,0]=4 680 B19R3.4444 c1cc2c(c(c1)SCC3=NCCN3)CCCC2 62a_100000737910_100012354034 [0,0,0,0,0,2|1,0,0]=3 681 B19R3.4444 c1cc2c(c(c1)SCC3=NCCN3)CCCC2 62a_100012354034_100000737910 [0,0,0,0,0,2|1,0,0]=3 682 B19R3.4444 c1cc2c(c(c1)SCC3=NCCN3)CCCN2 62a_100000737910_100010196365 [0,0,0,0,0,2|1,0,0]=3 683 B19R3.4444 c1cc2c(c(c1)SCC3=NCCN3)CCCN2 62a_100010196365_100000737910 [0,0,0,0,0,2|1,0,0]=3 684 B19R3.4444 c1cc2c(c(c1)SCC3=NCCN3)CCCO2 62a_100000737910_100010188023 [0,0,0,0,0,2|1,0,0]=3 685 B19R3.4444 c1cc2c(c(c1)SCC3=NCCN3)CCCO2 62a_100010188023_100000737910 [0,0,0,0,0,2|1,0,0]=3 686 B19R3.4444 c1cc2c(c(c1)SCC3=NCCN3)CCNC2 62a_100000737910_100000756787 [0,0,0,0,0,2|1,0,0]=3 687 B19R3.4444 c1cc2c(c(c1)SCC3=NCCN3)CCNC2 62a_100000756787_100000737910 [0,0,0,0,0,2|1,0,0]=3 688 B19R3.4444 c1cc2c(c(c1)SCC3=NCCN3)CNCC2 62a_100000687140_100000737910 [0,0,0,0,0,2|1,0,0]=3 689 B19R3.4444 c1cc2c(c(c1)SCC3=NCCN3)CNCC2 62a_100000737910_100000687140 [0,0,0,0,0,2|1,0,0]=3 690 B19R3.4444 c1cc2c(c(c1)SCC3=NCCN3)NCCO2 62a_100000737910_100015018771 [0,0,0,0,0,2|2,0,0]=4 691 B19R3.4444 c1cc2c(c(c1)SCC3=NCCN3)OCCC2 62a_100000737910_100010204675 [0,0,0,0,0,2|1,0,0]=3 692 B19R3.4444 c1cc2c(c(c1)SCC3=NCCN3)OCCC2 62a_100010204675_100000737910 [0,0,0,0,0,2|1,0,0]=3 693 B19R3.4444 c1cc2c(c(c1)SCC3=NCCN3)OCCN2 62a_100000726803_100000737910 [0,0,0,0,0,2|2,0,0]=4 694 B19R3.4444 c1cc2c(c(c1)SCC3=NCCN3)OCCN2 62a_100000737910_100000726803 [0,0,0,0,0,2|2,0,0]=4 695 B19R3.4444 c1cc2c(c(c1)SCC3=NCCN3)OCCO2 62a_100000737910_100009815980 [0,0,0,0,0,2|2,0,0]=4 696 B19R3.4444 c1cc2c(c(c1)SCC3=NCCN3)OCCO2 62a_100009815980_100000737910 [0,0,0,0,0,2|2,0,0]=4 697 B19R3.19185 c1cc(c2c(c1)OCO2)CNCC3=NCCN3 34a_100000743722_100000737910 [0,0,0,0,0,2|2,0,0]=4 698 B19R3.19185 c1cc2c(c(c1)CNCC3=NCCN3)OCC2 34a_200000703977_100000737910 [0,0,0,0,0,2|1,0,0]=3 699 B19R3.19185 c1cc2c(c(c1)COCC3=NCCN3)OCC2 34a_100011934603_100000737910 [0,0,0,0,0,2|2,0,0]=4 700 B19R3.19185 c1cc2c(c(c1)COCC3=NCCN3)OCC2 7a_100011934603_100000737910 [0,0,0,0,0,2|2,0,0]=4