0 B27R4.177494411 O=C(Nc1ccc2[nH]ccc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 11a_100011201678_100000764920 [0,0,0,1,0,0|2,0,0]=3 1 B27R4.177494411 O=C(Nc1ccc2[nH]ccc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 1626a_100011201678_100000764920 [0,0,0,1,0,0|2,0,0]=3 2 B27R4.177494411 O=C(Nc1ccc2[nH]ccc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_100011201678_100000764920 [0,0,0,1,0,0|2,0,0]=3 3 B27R4.177494411 O=C(Nc1ccc2[nH]ccc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_100011201678_100000764920 [0,0,0,1,0,0|2,0,0]=3 4 B27R4.177494411 O=C(Nc1ccc2cnoc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 11a_100000084182_100000764920 [0,0,0,1,0,0|3,0,0]=4 5 B27R4.177494411 O=C(Nc1ccc2cnoc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 1626a_100000084182_100000764920 [0,0,0,1,0,0|3,0,0]=4 6 B27R4.177494411 O=C(Nc1ccc2nnsc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 11a_100009955171_100000764920 [0,0,0,1,0,0|2,0,1]=4 7 B27R4.177494411 O=C(Nc1ccc2nnsc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 1626a_100009955171_100000764920 [0,0,0,1,0,0|2,0,1]=4 8 B27R4.177494411 O=C(Nc1ccc2nnsc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_100009955171_100000764920 [0,0,0,1,0,0|2,0,1]=4 9 B27R4.177494411 O=C(Nc1ccc2occc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 11a_106430523501_100000764920 [0,0,0,1,0,0|3,0,0]=4 10 B27R4.177494411 O=C(Nc1ccc2occc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 1626a_106430523501_100000764920 [0,0,0,1,0,0|3,0,0]=4 11 B27R4.177494411 O=C(Nc1ccc2occc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_106430523501_100000764920 [0,0,0,1,0,0|3,0,0]=4 12 B27R4.177494411 O=C(Nc1ccc2occc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_106430523501_100000764920 [0,0,0,1,0,0|3,0,0]=4 13 B27R4.177494411 O=C(Nc1ccc2oncc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 11a_100000037595_100000764920 [0,0,0,1,0,0|2,0,0]=3 14 B27R4.177494411 O=C(Nc1ccc2oncc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 1626a_100000037595_100000764920 [0,0,0,1,0,0|2,0,0]=3 15 B27R4.177494411 O=C(Nc1ccc2sncc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 11a_100000077742_100000764920 [0,0,0,1,0,0|2,0,0]=3 16 B27R4.177494411 O=C(Nc1ccc2sncc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 1626a_100000077742_100000764920 [0,0,0,1,0,0|2,0,0]=3 17 B27R4.177494411 O=C(Nc1ccc2sncc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_100000077742_100000764920 [0,0,0,1,0,0|2,0,0]=3 18 B27R4.177494411 O=C(Nc1ccc2sncc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_100000077742_100000764920 [0,0,0,1,0,0|2,0,0]=3 19 B25R3.189047 CCCN(C(=O)c1ccc2[nH]ccc2c1)c3ccc(c(c3)Cl)Cl 11a_100102698826_100000752189 [0,0,0,0,1,0|3,0,0]=4 20 B24R3.1950097 CCC(C(=O)Nc1ccc2[nH]ccc2c1)c3ccc(cc3)Br 11a_100011201678_100011934198 [2,0,0,0,0,0|1,1,0]=4 21 B24R3.1950097 CCC(C(=O)Nc1ccc2[nH]ccc2c1)c3ccc(cc3)Br 1626a_100011201678_100011934198 [2,0,0,0,0,0|1,1,0]=4 22 B24R3.1950097 CCC(C(=O)Nc1ccc2[nH]ccc2c1)c3ccc(cc3)Br 22a_100011201678_100011934198 [2,0,0,0,0,0|1,1,0]=4 23 B24R3.1950097 CCC(C(=O)Nc1ccc2[nH]ccc2c1)c3ccc(cc3)Br 527a_100011201678_100011934198 [2,0,0,0,0,0|1,1,0]=4 24 B24R3.1950097 CCC(C(=O)Nc1ccc2sncc2c1)c3ccc(cc3)Br 11a_100000077742_100011934198 [2,0,0,0,0,0|1,1,0]=4 25 B24R3.1950097 CCC(C(=O)Nc1ccc2sncc2c1)c3ccc(cc3)Br 1626a_100000077742_100011934198 [2,0,0,0,0,0|1,1,0]=4 26 B24R3.1950097 CCC(C(=O)Nc1ccc2sncc2c1)c3ccc(cc3)Br 22a_100000077742_100011934198 [2,0,0,0,0,0|1,1,0]=4 27 B24R3.1950097 CCC(C(=O)Nc1ccc2sncc2c1)c3ccc(cc3)Br 527a_100000077742_100011934198 [2,0,0,0,0,0|1,1,0]=4 28 B24R3.10416723 CCC(NCc1ccc2[nH]ncc2c1)c3ccc(c(c3)Cl)Cl 269862a_100016989852_100000182811 [2,0,0,0,0,0|2,0,0]=4 29 B28R3.467108861 CCCN(C(=O)Nc1ccc2[nH]ncc2c1)C(C)c3ccc(c(c3)Cl)Cl 2430a_100000187683_100000741606 [0,1,0,0,0,1|2,0,0]=4 30 B26R4.81191493 O=C(Nc1ccc2sncc2c1)C3(CCC3)c4ccc(cc4)Cl 11a_100000077742_100000184711 [1,0,0,1,0,0|2,0,0]=4 31 B26R4.81191493 O=C(Nc1ccc2sncc2c1)C3(CCC3)c4ccc(cc4)Cl 1626a_100000077742_100000184711 [1,0,0,1,0,0|2,0,0]=4 32 B26R4.81191493 O=C(Nc1ccc2sncc2c1)C3(CCC3)c4ccc(cc4)Cl 22a_100000077742_100000184711 [1,0,0,1,0,0|2,0,0]=4 33 B26R4.81191493 O=C(Nc1ccc2sncc2c1)C3(CCC3)c4ccc(cc4)Cl 527a_100000077742_100000184711 [1,0,0,1,0,0|2,0,0]=4 34 B26R4.178680357 O=C(Nc1ccc2[nH]ccc2c1)C3(CC3)c4ccc(c(c4)Cl)Cl 11a_100011201678_100011269624 [1,0,0,1,0,0|1,0,0]=3 35 B26R4.178680357 O=C(Nc1ccc2[nH]ccc2c1)C3(CC3)c4ccc(c(c4)Cl)Cl 1626a_100011201678_100011269624 [1,0,0,1,0,0|1,0,0]=3 36 B26R4.178680357 O=C(Nc1ccc2[nH]ccc2c1)C3(CC3)c4ccc(c(c4)Cl)Cl 22a_100011201678_100011269624 [1,0,0,1,0,0|1,0,0]=3 37 B26R4.178680357 O=C(Nc1ccc2[nH]ccc2c1)C3(CC3)c4ccc(c(c4)Cl)Cl 527a_100011201678_100011269624 [1,0,0,1,0,0|1,0,0]=3 38 B26R4.178680357 O=C(Nc1ccc2occc2c1)C3(CC3)c4ccc(c(c4)Cl)Cl 11a_106430523501_100011269624 [1,0,0,1,0,0|2,0,0]=4 39 B26R4.178680357 O=C(Nc1ccc2occc2c1)C3(CC3)c4ccc(c(c4)Cl)Cl 1626a_106430523501_100011269624 [1,0,0,1,0,0|2,0,0]=4 40 B26R4.178680357 O=C(Nc1ccc2occc2c1)C3(CC3)c4ccc(c(c4)Cl)Cl 22a_106430523501_100011269624 [1,0,0,1,0,0|2,0,0]=4 41 B26R4.178680357 O=C(Nc1ccc2occc2c1)C3(CC3)c4ccc(c(c4)Cl)Cl 527a_106430523501_100011269624 [1,0,0,1,0,0|2,0,0]=4 42 B26R4.178680357 O=C(Nc1ccc2sccc2c1)C3(CC3)c4ccc(c(c4)Cl)Cl 11a_100000681076_100011269624 [1,0,0,1,0,0|2,0,0]=4 43 B26R4.178680357 O=C(Nc1ccc2sccc2c1)C3(CC3)c4ccc(c(c4)Cl)Cl 1626a_100000681076_100011269624 [1,0,0,1,0,0|2,0,0]=4 44 B26R4.178680357 O=C(Nc1ccc2sccc2c1)C3(CC3)c4ccc(c(c4)Cl)Cl 22a_100000681076_100011269624 [1,0,0,1,0,0|2,0,0]=4 45 B26R4.178680357 O=C(Nc1ccc2sccc2c1)C3(CC3)c4ccc(c(c4)Cl)Cl 527a_100000681076_100011269624 [1,0,0,1,0,0|2,0,0]=4 46 B26R4.178680357 O=C(Nc1ccc2sncc2c1)C3(CC3)c4ccc(c(c4)Cl)Cl 11a_100000077742_100011269624 [1,0,0,1,0,0|1,0,0]=3 47 B26R4.178680357 O=C(Nc1ccc2sncc2c1)C3(CC3)c4ccc(c(c4)Cl)Cl 1626a_100000077742_100011269624 [1,0,0,1,0,0|1,0,0]=3 48 B26R4.178680357 O=C(Nc1ccc2sncc2c1)C3(CC3)c4ccc(c(c4)Cl)Cl 22a_100000077742_100011269624 [1,0,0,1,0,0|1,0,0]=3 49 B26R4.178680357 O=C(Nc1ccc2sncc2c1)C3(CC3)c4ccc(c(c4)Cl)Cl 527a_100000077742_100011269624 [1,0,0,1,0,0|1,0,0]=3 50 B28R4.252211009 O=C(NCc1ccc2[nH]ccc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 11a_100011837653_100000764920 [0,0,0,1,0,1|2,0,0]=4 51 B28R4.252211009 O=C(NCc1ccc2[nH]ccc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 240690a_100011837653_100000764920 [0,0,0,1,0,1|2,0,0]=4 52 B28R4.252211009 O=C(NCc1ccc2[nH]ccc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_100011837653_100000764920 [0,0,0,1,0,1|2,0,0]=4 53 B28R4.252211001 O=C(Nc1ccc2ccncc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 11a_100000069342_100000764920 [0,0,0,1,0,1|2,0,0]=4 54 B28R4.252211001 O=C(Nc1ccc2ccncc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 1626a_100000069342_100000764920 [0,0,0,1,0,1|2,0,0]=4 55 B28R4.252211001 O=C(Nc1ccc2ccncc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_100000069342_100000764920 [0,0,0,1,0,1|2,0,0]=4 56 B28R4.252211001 O=C(Nc1ccc2ccncc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_100000069342_100000764920 [0,0,0,1,0,1|2,0,0]=4 57 B28R4.252211001 O=C(Nc1ccc2cnccc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 11a_100000039641_100000764920 [0,0,0,1,0,1|2,0,0]=4 58 B28R4.252211001 O=C(Nc1ccc2cnccc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 1626a_100000039641_100000764920 [0,0,0,1,0,1|2,0,0]=4 59 B28R4.252211001 O=C(Nc1ccc2cnccc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_100000039641_100000764920 [0,0,0,1,0,1|2,0,0]=4 60 B28R4.252211001 O=C(Nc1ccc2cnccc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_100000039641_100000764920 [0,0,0,1,0,1|2,0,0]=4 61 B28R4.252211001 O=C(Nc1ccc2ncncc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 11a_100000099906_100000764920 [0,0,0,1,0,1|1,0,1]=4 62 B28R4.252211001 O=C(Nc1ccc2ncncc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 1626a_100000099906_100000764920 [0,0,0,1,0,1|1,0,1]=4 63 B28R4.252211001 O=C(Nc1ccc2ncncc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_100000099906_100000764920 [0,0,0,1,0,1|1,0,1]=4 64 B28R4.252211001 O=C(Nc1ccc2ncncc2c1)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_100000099906_100000764920 [0,0,0,1,0,1|1,0,1]=4 65 B28R4.729662372 Cc1cc(cc2c1[nH]nc2)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_100000080766_100000764920 [0,1,0,1,0,0|1,0,0]=3 66 B28R4.729662372 Cc1cc(cc2c1[nH]nc2)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_100000080766_100000764920 [0,1,0,1,0,0|1,0,0]=3 67 B28R4.729662372 O=C(Nc1cc(c2[nH]ncc2c1)Br)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_100010188536_100000764920 [0,1,0,1,0,0|1,0,0]=3 68 B28R4.729662372 O=C(Nc1cc(c2[nH]ncc2c1)Br)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_100010188536_100000764920 [0,1,0,1,0,0|1,0,0]=3 69 B28R4.729662372 O=C(Nc1cc(c2[nH]ncc2c1)Cl)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_100102615900_100000764920 [0,1,0,1,0,0|1,0,0]=3 70 B28R4.729662372 O=C(Nc1cc(c2[nH]ncc2c1)Cl)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_100102615900_100000764920 [0,1,0,1,0,0|1,0,0]=3 71 B28R4.252212243 O=C(Nc1ccc2[nH]ccc2c1)C3(CCCC3)c4ccc(c(c4)Cl)Cl 11a_100011201678_200000238562 [0,1,0,1,0,0|2,0,0]=4 72 B28R4.252212243 O=C(Nc1ccc2[nH]ccc2c1)C3(CCCC3)c4ccc(c(c4)Cl)Cl 1626a_100011201678_200000238562 [0,1,0,1,0,0|2,0,0]=4 73 B28R4.252212243 O=C(Nc1ccc2[nH]ccc2c1)C3(CCCC3)c4ccc(c(c4)Cl)Cl 22a_100011201678_200000238562 [0,1,0,1,0,0|2,0,0]=4 74 B28R4.252212243 O=C(Nc1ccc2[nH]ccc2c1)C3(CCCC3)c4ccc(c(c4)Cl)Cl 527a_100011201678_200000238562 [0,1,0,1,0,0|2,0,0]=4 75 B28R4.252212243 O=C(Nc1ccc2[nH]ncc2c1)C3(CCCC3)c4ccc(c(c4)Cl)Cl 1626a_100000187683_200000238562 [0,1,0,1,0,0|1,0,0]=3 76 B28R4.252212243 O=C(Nc1ccc2[nH]ncc2c1)C3(CCCC3)c4ccc(c(c4)Cl)Cl 22a_100000187683_200000238562 [0,1,0,1,0,0|1,0,0]=3 77 B28R4.252212243 O=C(Nc1ccc2[nH]ncc2c1)C3(CCCC3)c4ccc(c(c4)Cl)Cl 527a_100000187683_200000238562 [0,1,0,1,0,0|1,0,0]=3 78 B28R4.252212243 O=C(Nc1ccc2oncc2c1)C3(CCCC3)c4ccc(c(c4)Cl)Cl 11a_100000037595_200000238562 [0,1,0,1,0,0|2,0,0]=4 79 B28R4.252212243 O=C(Nc1ccc2oncc2c1)C3(CCCC3)c4ccc(c(c4)Cl)Cl 1626a_100000037595_200000238562 [0,1,0,1,0,0|2,0,0]=4 80 B28R4.729661861 Cc1cc2[nH]ncc2cc1NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_100000067312_100000764920 [0,1,0,1,0,0|1,0,0]=3 81 B28R4.729661861 Cc1cc2[nH]ncc2cc1NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_100000067312_100000764920 [0,1,0,1,0,0|1,0,0]=3 82 B28R4.729661865 Cc1c(ccc2c1cn[nH]2)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_100000092189_100000764920 [0,1,0,1,0,0|1,0,0]=3 83 B28R4.729661865 Cc1c(ccc2c1cn[nH]2)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_100000092189_100000764920 [0,1,0,1,0,0|1,0,0]=3 84 B28R4.729661866 Cc1n[nH]c2c1cc(cc2)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_100000054952_100000764920 [0,1,0,1,0,0|1,0,0]=3 85 B28R4.729661866 Cc1n[nH]c2c1cc(cc2)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_100000054952_100000764920 [0,1,0,1,0,0|1,0,0]=3 86 B28R4.729661866 Cc1noc2c1cc(cc2)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 11a_200000044492_100000764920 [0,1,0,1,0,0|2,0,0]=4 87 B28R4.729661866 Cc1noc2c1cc(cc2)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 1626a_200000044492_100000764920 [0,1,0,1,0,0|2,0,0]=4 88 B28R4.729661866 Cc1noc2c1cc(cc2)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_200000044492_100000764920 [0,1,0,1,0,0|2,0,0]=4 89 B28R4.729661866 Cc1noc2c1cc(cc2)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_200000044492_100000764920 [0,1,0,1,0,0|2,0,0]=4 90 B28R4.729661866 O=C(Nc1ccc2[nH]nc(c2c1)Br)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_100012353729_100000764920 [0,1,0,1,0,0|1,0,0]=3 91 B28R4.729661866 O=C(Nc1ccc2[nH]nc(c2c1)Br)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_100012353729_100000764920 [0,1,0,1,0,0|1,0,0]=3 92 B28R4.729661866 O=C(Nc1ccc2[nH]nc(c2c1)Cl)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_100011998477_100000764920 [0,1,0,1,0,0|1,0,0]=3 93 B28R4.729661866 O=C(Nc1ccc2[nH]nc(c2c1)Cl)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_100011998477_100000764920 [0,1,0,1,0,0|1,0,0]=3 94 B28R4.729661866 O=C(Nc1ccc2[nH]nc(c2c1)I)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_100010186061_100000764920 [0,1,0,1,0,0|1,0,0]=3 95 B28R4.729661866 O=C(Nc1ccc2[nH]nc(c2c1)I)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_100010186061_100000764920 [0,1,0,1,0,0|1,0,0]=3 96 B28R4.1117152415 Cn1ccc2c1ccc(c2)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 11a_100011270241_100000764920 [0,1,0,1,0,0|2,0,0]=4 97 B28R4.1117152415 Cn1ccc2c1ccc(c2)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 1626a_100011270241_100000764920 [0,1,0,1,0,0|2,0,0]=4 98 B28R4.1117152415 Cn1ccc2c1ccc(c2)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_100011270241_100000764920 [0,1,0,1,0,0|2,0,0]=4 99 B28R4.1117152415 Cn1ccc2c1ccc(c2)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_100011270241_100000764920 [0,1,0,1,0,0|2,0,0]=4 100 B28R4.729662313 Cc1cc2cc(ccc2[nH]1)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 11a_100000738028_100000764920 [0,1,0,1,0,0|2,0,0]=4 101 B28R4.729662313 Cc1cc2cc(ccc2[nH]1)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 1626a_100000738028_100000764920 [0,1,0,1,0,0|2,0,0]=4 102 B28R4.729662313 Cc1cc2cc(ccc2[nH]1)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 22a_100000738028_100000764920 [0,1,0,1,0,0|2,0,0]=4 103 B28R4.729662313 Cc1cc2cc(ccc2[nH]1)NC(=O)C3(CCC3)c4ccc(c(c4)Cl)Cl 527a_100000738028_100000764920 [0,1,0,1,0,0|2,0,0]=4 104 B26R3.43684513 O=C(Nc1ccc2[nH]ncc2c1)N[C@@H](CCO)c3cccc(c3)O 2430a_100000187683_100025705919 [1,0,0,0,0,1|2,0,0]=4