0 B13R2.435 C=C(C)c1cc2ccccc2[nH]1 271570a_100000694244_100010232065 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.435 C=C(C)c1cc2ccccc2o1 271570a_100000694244_100010159458 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.435 C=C(C)c1cc2ccccc2s1 271570a_100000694244_100009816949 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.435 C=C(C)c1cc2cccnc2[nH]1 271570a_100000694244_100010079843 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.435 C=C(C)c1cn2ccccc2n1 271570a_100000694244_100009819586 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.435 C=C(C)c1nc2ccccc2[nH]1 271570a_100000694244_100009814255 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.435 C=C(C)c1nc2ccccc2s1 271570a_100000694244_100000751744 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.435 C=C(C)c1nc2cccnc2s1 271570a_100000694244_100010188088 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000070787_100000753484 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000685393_200000210301 [0,0,0,0,0,0|3,0,1]=4 11 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.435 CC(=O)C1Cc2ccccc2S1 1458a_100000024912_200000210301 [0,0,0,0,0,0|3,0,1]=4 13 B13R2.435 CC(=O)N1Cc2ccccc2C1 11a_100000752595_100015343762 [0,0,0,0,0,0|4,0,0]=4 14 B13R2.435 CC(=O)N1Cc2ccccc2C1 1626a_100000752595_100015343762 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.435 CC(=O)N1Cc2ccccc2C1 240690a_100000752595_100015343762 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.435 CC(=O)N1Cc2ccccc2C1 527a_100000752595_100103153847 [0,0,0,0,0,0|4,0,0]=4 17 B13R2.435 CN(C)c1nc2ccccc2[nH]1 27a_100102631434_100009814255 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.435 CN(C)c1nc2ccccc2s1 27a_100102631434_100000751744 [0,0,0,0,0,0|4,0,0]=4 19 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [0,0,0,0,0,0|3,0,0]=3 20 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2C1 1458a_100000685393_200025704644 [0,0,0,0,0,0|3,0,1]=4 21 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [0,0,0,0,0,0|3,0,1]=4 22 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2S1 1458a_100000024912_200025704644 [0,0,0,0,0,0|3,0,1]=4 23 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.32 C=Cc1cc2ccccc2s1 271570a_100011290941_100009816949 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.32 C=Cc1cc2cccnc2[nH]1 271570a_100011290941_100010079843 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.32 C=Cc1cn2ccccc2n1 271570a_100011290941_100009819586 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.32 C=Cc1nc2ccccc2[nH]1 271570a_100011290941_100009814255 [1,0,0,0,0,0|1,0,0]=2 29 B12R2.32 C=Cc1nc2ccccc2s1 271570a_100011290941_100000751744 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.32 C=Cc1nc2cccnc2s1 271570a_100011290941_100010188088 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.32 CNc1nc2ccccc2[nH]1 27a_100102657272_100009814255 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.32 CNc1nc2ccccc2s1 27a_100102657272_100000751744 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.32 CSc1nc2ccccc2[nH]1 62a_200000210301_100009814255 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.32 CSc1nc2ccccc2s1 62a_200000210301_100000751744 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.32 [13CH3]Sc1nc2ccccc2[nH]1 62a_200025704644_100009814255 [1,0,0,0,0,0|2,0,0]=3 38 B12R2.32 [13CH3]Sc1nc2ccccc2s1 62a_200025704644_100000751744 [1,0,0,0,0,0|3,0,0]=4 39 B14R2.450 C=C(C)c1nc2ccccc2n1C 271570a_100000694244_200000239431 [0,1,0,0,0,0|2,0,0]=3 40 B14R2.450 CC(=O)C1=C(c2ccccc2C1)C 1458a_200000242466_200000210301 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)[13CH3] 1458a_200000242466_200025704644 [0,1,0,0,0,0|3,0,0]=4 42 B14R2.450 CN(C)c1nc2ccccc2n1C 27a_100102631434_200000239431 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.972 CCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210202 [0,1,0,0,0,0|3,0,0]=4 44 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 11a_106832991635_100009862756 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 1626a_100102657272_100009862756 [0,1,0,0,0,0|3,0,0]=4 46 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 240690a_100102657272_100009862756 [0,1,0,0,0,0|3,0,0]=4 47 B14R2.972 CNC(C)c1nc2ccccc2[nH]1 270004a_106832991635_100000199114 [0,1,0,0,0,0|2,0,1]=4 48 B14R2.972 CN[C@@H](C)c1nc2ccccc2[nH]1 2230a_100015206438_200000210301 [0,1,0,0,0,0|2,0,1]=4 49 B14R2.972 C[C@H](N[13CH3])c1nc2ccccc2[nH]1 2230a_100015206438_200025704644 [0,1,0,0,0,0|2,0,1]=4 50 B14R2.972 O=C(CF)C1=Cc2ccccc2C1 1458a_100009862756_100015361967 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.972 O=C(CO)C1Cc2ccccc2C1 1458a_100000210174_100000753484 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.972 O=C(CO)N1Cc2ccccc2C1 240690a_100000752595_100000210174 [0,1,0,0,0,0|3,0,0]=4 53 B14R2.972 O=C(CO)N1Cc2ccccc2C1 527a_100000752595_100000210174 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.4529 C=C(C)c1cc2cc(ccc2[nH]1)Br 271570a_100000694244_100011012855 [0,1,0,0,0,0|3,0,0]=4 55 B14R2.4529 C=C(C)c1nc2cc(ccc2s1)F 271570a_100000694244_200010206605 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.4529 C=C(C)c1nc2cc(ccc2s1)N 271570a_100000694244_100010329861 [0,1,0,0,0,0|3,0,0]=4 57 B14R2.4529 C=C(C)c1nc2ccc(cc2s1)C 271570a_100000694244_100010186437 [0,1,0,0,0,0|3,0,0]=4 58 B14R2.4529 C=C(C)c1nc2ccc(cc2s1)F 271570a_100000694244_100000751617 [0,1,0,0,0,0|3,0,0]=4 59 B14R2.4529 C=C(C)c1nc2ccc(cc2s1)N 271570a_100000694244_100010253933 [0,1,0,0,0,0|3,0,0]=4 60 B14R2.4529 C=C(C)c1nc2ccc(cc2s1)O 271570a_100000694244_100010063415 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.4529 CC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000181247 [0,1,0,0,0,0|3,0,0]=4 62 B14R2.4529 CC(=O)c1nc2ccc(cc2[nH]1)O 271570a_203496583355_200011795181 [0,1,0,0,0,0|1,0,0]=2 63 B14R2.4529 CC(=O)n1cc2cc(ccc2n1)O 271570a_203496583355_100010240164 [0,1,0,0,0,0|3,0,0]=4 64 B14R2.4529 CC(=O)n1cc2ccc(cc2n1)O 271570a_203496583355_100010184422 [0,1,0,0,0,0|3,0,0]=4 65 B14R2.4529 CC(O)c1nc2ncc(cc2[nH]1)O 271570a_203496583355_100000753269 [0,1,0,0,0,0|2,0,1]=4 66 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814496 [0,1,0,0,0,0|2,0,0]=3 67 B14R2.4529 NC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000185017 [0,1,0,0,0,0|3,0,0]=4 68 B14R2.4529 NC(=O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_100009814495 [0,1,0,0,0,0|2,0,0]=3 69 B14R2.4529 OB(O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_200010246288 [0,1,0,0,0,0|2,0,1]=4 70 B14R2.7969 C=C(C)c1cc2cccc(c2[nH]1)Br 271570a_100000694244_100135389745 [0,1,0,0,0,0|3,0,0]=4 71 B14R2.7969 C=C(C)c1nc2c(cccc2s1)C 271570a_100000694244_100010008827 [0,1,0,0,0,0|3,0,0]=4 72 B14R2.7969 C=C(C)c1nc2c(cccc2s1)F 271570a_100000694244_100010008856 [0,1,0,0,0,0|3,0,0]=4 73 B14R2.7969 CC(=O)c1cc2cccc(c2o1)O 271570a_203496583355_100011280056 [0,1,0,0,0,0|3,0,0]=4 74 B14R2.7969 NC(=O)c1cc2cccc(c2s1)O 271570a_203496583355_100020879177 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,0,1,0,0,0|3,0,0]=4 76 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,0,1,0,0,0|3,0,0]=4 77 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,0,1,0,0,0|3,0,0]=4 78 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,0,1,0,0,0|3,0,0]=4 79 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,0,1,0,0,0|3,0,0]=4 80 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,0,1,0,0,0|3,0,0]=4 81 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,0,1,0,0,0|3,0,0]=4 82 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,0,1,0,0,0|3,0,0]=4 83 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,0,1,0,0,0|3,0,0]=4 84 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,0,1,0,0,0|3,0,0]=4 85 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,0,1,0,0,0|3,0,0]=4 86 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,0,1,0,0,0|3,0,0]=4 87 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,0,1,0,0,0|3,0,0]=4 88 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,0,1,0,0,0|3,0,0]=4 89 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,0,1,0,0,0|3,0,0]=4 90 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,0,1,0,0,0|2,0,0]=3 91 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,0,1,0,0,0|2,0,1]=4 92 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,0,1,0,0,0|2,0,1]=4 93 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,0,1,0,0,0|2,0,1]=4 94 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,0,1,0,0,0|2,0,1]=4 95 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,0,1,0,0,0|2,0,0]=3 96 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,0,1,0,0,0|2,0,1]=4 97 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,0,1,0,0,0|1,0,2]=4 98 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,0,1,0,0,0|1,0,2]=4 99 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,0,1,0,0,0|3,0,0]=4 100 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,0,1,0,0,0|3,0,0]=4 101 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,0,1,0,0,0|2,0,0]=3 102 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [0,0,1,0,0,0|3,0,0]=4 103 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [0,0,1,0,0,0|3,0,0]=4 104 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [0,0,1,0,0,0|3,0,0]=4 105 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [0,0,1,0,0,0|3,0,0]=4 106 B12R1.125 CC(=O)NNc1ccccc1Br 22a_100000241748_100000070787 [0,0,1,0,0,0|3,0,0]=4 107 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [0,0,1,0,0,0|3,0,0]=4 108 B12R1.125 CC(=O)NNc1ccccc1Cl 22a_100000683529_100000070787 [0,0,1,0,0,0|3,0,0]=4 109 B12R1.125 CC(=O)NNc1ccccc1F 22a_100000239246_100000070787 [0,0,1,0,0,0|3,0,0]=4 110 B12R1.125 CC(=O)NNc1ccccc1I 22a_100011218156_100000070787 [0,0,1,0,0,0|3,0,0]=4 111 B12R1.125 CC(O)C=Cc1ccccc1N 271570a_200011019289_100000210017 [0,0,1,0,0,0|2,0,1]=4 112 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,0,1,0,0,0|2,0,1]=4 113 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,0,1,0,0,0|1,0,2]=4 114 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,0,1,0,0,0|2,0,1]=4 115 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,0,1,0,0,0|2,0,1]=4 116 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,0,1,0,0,0|2,0,1]=4 117 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,0,1,0,0,0|2,0,1]=4 118 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,0,1,0,0,0|2,0,1]=4 119 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,0,1,0,0,0|2,0,1]=4 120 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,0,1,0,0,0|2,0,1]=4 121 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,0,1,0,0,0|2,0,1]=4 122 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,0,1,0,0,0|2,0,1]=4 123 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,0,1,0,0,0|1,0,2]=4 124 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,0,1,0,0,0|1,0,2]=4 125 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,0,1,0,0,0|1,0,2]=4 126 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,0,1,0,0,0|1,0,2]=4 127 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,0,1,0,0,0|1,0,2]=4 128 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,0,1,0,0,0|1,0,2]=4 129 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,0,1,0,0,0|1,0,2]=4 130 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,0,1,0,0,0|1,0,2]=4 131 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [0,0,1,0,0,0|3,0,0]=4 132 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [0,0,1,0,0,0|3,0,0]=4 133 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [0,0,1,0,0,0|3,0,0]=4 134 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [0,0,1,0,0,0|3,0,0]=4 135 B14R3.14987 c1ccc2[nH]c(nc2c1)C3CC3 271570a_100011220607_100009814255 [0,0,0,1,0,0|2,0,1]=4 136 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,0,1,0|2,0,1]=4 137 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,0,1,0|2,0,1]=4 138 B14R2.768 CC(=Cc1cc2ccccc2[nH]1)C 271570a_100102525489_100010232065 [0,0,0,0,0,1|3,0,0]=4 139 B14R2.768 CC(=Cc1nc2ccccc2[nH]1)C 271570a_100102525489_100009814255 [0,0,0,0,0,1|2,0,0]=3 140 B14R2.768 CC(=Cc1nc2ccccc2s1)C 271570a_100102525489_100000751744 [0,0,0,0,0,1|3,0,0]=4 141 B14R2.768 CC(=O)Cc1cc2ccccc2o1 1458a_100000735538_200000210301 [0,0,0,0,0,1|3,0,0]=4 142 B14R2.768 CC(=O)Cc1cc2ccccc2s1 1458a_100012001211_200000210301 [0,0,0,0,0,1|3,0,0]=4 143 B14R2.768 CC(=O)Cc1cn2ccccc2n1 1458a_100000070787_100000689847 [0,0,0,0,0,1|3,0,0]=4 144 B14R2.768 CC(=O)Cc1nc2ccccc2[nH]1 1458a_100000070787_100000737899 [0,0,0,0,0,1|1,0,0]=2 145 B14R2.768 CC(=O)Cc1nc2ccccc2o1 1458a_100000070787_100000195508 [0,0,0,0,0,1|2,0,0]=3 146 B14R2.768 CC(=O)Cc1nc2ccccc2o1 1458a_100015185861_200000210301 [0,0,0,0,0,1|2,0,0]=3 147 B14R2.768 CC(=O)Cc1nc2ccccc2s1 1458a_100000070787_100011217541 [0,0,0,0,0,1|2,0,0]=3 148 B14R2.768 CC(=O)Cc1nc2cccnc2[nH]1 1458a_100000070787_100011549802 [0,0,0,0,0,1|2,0,0]=3 149 B14R2.768 CC(=O)Cc1nc2ncccc2o1 1458a_100000070787_100000696355 [0,0,0,0,0,1|3,0,0]=4 150 B14R2.768 CC(=O)Cn1cc2ccccc2n1 1458a_100000060251_200000210301 [0,0,0,0,0,1|3,0,0]=4 151 B14R2.768 CC(C)Nc1nc2ccccc2[nH]1 27a_100138425928_100009814255 [0,0,0,0,0,1|2,0,1]=4 152 B14R2.768 CC(C)Sc1nc2ccccc2[nH]1 62a_100000210206_100009814255 [0,0,0,0,0,1|2,0,1]=4 153 B14R2.768 CN(C)Cc1nc2ccccc2[nH]1 2230a_100000736437_200000210301 [0,0,0,0,0,1|3,0,0]=4 154 B14R2.768 CN(C)Cc1nc2ccccc2[nH]1 2230a_100102631434_100000737899 [0,0,0,0,0,1|3,0,0]=4 155 B14R2.768 CN(C)Cc1nc2ccccc2[nH]1 269982a_100000736437_200000210301 [0,0,0,0,0,1|3,0,0]=4 156 B14R2.768 CN(C)Cc1nc2ccccc2[nH]1 269982a_100102631434_100000737899 [0,0,0,0,0,1|3,0,0]=4 157 B14R2.768 CN(C)Cc1nc2ccccc2[nH]1 270004a_100102631434_100000185668 [0,0,0,0,0,1|3,0,0]=4 158 B14R2.768 CN([13CH3])Cc1nc2ccccc2[nH]1 2230a_100000736437_200025704644 [0,0,0,0,0,1|3,0,0]=4 159 B14R2.768 CN([13CH3])Cc1nc2ccccc2[nH]1 269982a_100000736437_200025704644 [0,0,0,0,0,1|3,0,0]=4 160 B14R2.768 [13CH3]C(=O)Cc1cc2ccccc2o1 1458a_100000735538_200025704644 [0,0,0,0,0,1|3,0,0]=4 161 B14R2.768 [13CH3]C(=O)Cc1cc2ccccc2s1 1458a_100012001211_200025704644 [0,0,0,0,0,1|3,0,0]=4 162 B14R2.768 [13CH3]C(=O)Cc1nc2ccccc2o1 1458a_100015185861_200025704644 [0,0,0,0,0,1|2,0,0]=3 163 B14R2.768 [13CH3]C(=O)Cn1cc2ccccc2n1 1458a_100000060251_200025704644 [0,0,0,0,0,1|3,0,0]=4 164 B14R2.781 C=C(C)c1cc2ccccc2cn1 271570a_100000694244_100000047361 [0,0,0,0,0,1|3,0,0]=4 165 B14R2.781 C=C(C)c1ccc2ccccc2n1 271570a_100000694244_100011291633 [0,0,0,0,0,1|3,0,0]=4 166 B14R2.781 C=C(C)c1cnc2ccccc2c1 271570a_100000694244_100000737414 [0,0,0,0,0,1|3,0,0]=4 167 B14R2.781 C=C(C)c1cnc2ccccc2n1 271570a_100000694244_100000756483 [0,0,0,0,0,1|2,0,1]=4 168 B14R2.781 C=C(C)c1ncc2ccccc2n1 271570a_100000694244_100000097389 [0,0,0,0,0,1|2,0,1]=4 169 B14R2.781 CC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_200000210301 [0,0,0,0,0,1|3,0,0]=4 170 B14R2.781 CC(=O)c1ccc2ccccc2c1 1458a_100000210637_200000210301 [0,0,0,0,0,1|3,0,0]=4 171 B14R2.781 [13CH3]C(=O)C1=Cc2ccccc2OC1 1458a_100000018039_200025704644 [0,0,0,0,0,1|3,0,0]=4 172 B14R2.781 [13CH3]C(=O)c1ccc2ccccc2c1 1458a_100000210637_200025704644 [0,0,0,0,0,1|3,0,0]=4 173 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,0,1,0,0,0|2,0,0]=4 174 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,0,1,0,0,0|2,0,0]=4 175 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,0,1,0,0,0|1,0,1]=4 176 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,0,1,0,0,0|1,0,1]=4 177 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,1,0,0,0|2,0,0]=4 178 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [1,0,1,0,0,0|2,0,0]=4 179 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,0,1,0,0,0|1,0,1]=4 180 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [1,0,1,0,0,0|0,0,2]=4 181 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,1,0,0,0|2,0,0]=4 182 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [1,0,1,0,0,0|1,0,1]=4 183 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [1,0,1,0,0,0|1,0,1]=4 184 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [1,0,1,0,0,0|1,0,1]=4 185 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [1,0,1,0,0,0|1,0,1]=4 186 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [1,0,1,0,0,0|1,0,1]=4 187 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [1,0,1,0,0,0|1,0,1]=4 188 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [1,0,1,0,0,0|1,0,1]=4 189 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [1,0,1,0,0,0|1,0,1]=4 190 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [1,0,1,0,0,0|1,0,1]=4 191 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [1,0,1,0,0,0|1,0,1]=4 192 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [2,0,0,0,0,0|1,0,0]=3 193 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [2,0,0,0,0,0|2,0,0]=4 194 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [2,0,0,0,0,0|2,0,0]=4 195 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [2,0,0,0,0,0|2,0,0]=4 196 B11R2.10 Oc1cn2ccccc2n1 271570a_203496583355_100009819586 [2,0,0,0,0,0|2,0,0]=4 197 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [2,0,0,0,0,0|0,0,0]=2 198 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [2,0,0,0,0,0|1,0,0]=3 199 B11R2.10 Oc1nc2cccnc2s1 271570a_203496583355_100010188088 [2,0,0,0,0,0|2,0,0]=4 200 B13R1.133 CC(=O)C(=O)Nc1ccc(cc1)C 1458a_100000189662_200000210301 [0,1,1,0,0,0|2,0,0]=4 201 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)N 22a_100000124888_100011215815 [0,1,1,0,0,0|2,0,0]=4 202 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)[13CH3] 1458a_100000189662_200025704644 [0,1,1,0,0,0|2,0,0]=4 203 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100011215815 [0,1,1,0,0,0|2,0,0]=4 204 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011215815 [0,1,1,0,0,0|2,0,0]=4 205 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)F 22a_100000185862_100011215815 [0,1,1,0,0,0|2,0,0]=4 206 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)I 22a_100000185761_100011215815 [0,1,1,0,0,0|2,0,0]=4 207 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100011215815 [0,1,1,0,0,0|2,0,0]=4 208 B13R1.135 C=C(CO)C(=O)Nc1ccccc1 22a_100000106764_200000705526 [0,1,1,0,0,0|2,0,0]=4 209 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210202 [0,1,1,0,0,0|2,0,0]=4 210 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100011218921 [0,1,1,0,0,0|2,0,0]=4 211 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011218921 [0,1,1,0,0,0|2,0,0]=4 212 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 240690a_100102657272_100000738435 [0,1,1,0,0,0|2,0,0]=4 213 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 527a_100000106764_100011218921 [0,1,1,0,0,0|2,0,0]=4 214 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,1,1,0,0,0|1,0,0]=3 215 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,1,1,0,0,0|1,0,0]=3 216 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,1,1,0,0,0|1,0,0]=3 217 B13R1.135 COC(=O)C(C)Nc1ccccc1 34a_100000106764_100000211248 [0,1,1,0,0,0|1,0,1]=4 218 B13R1.135 O=C(CF)C(=O)Nc1ccccc1 1458a_100000738435_100015361967 [0,1,1,0,0,0|2,0,0]=4 219 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200000210301 [0,1,1,0,0,0|2,0,0]=4 220 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200000210301 [0,1,1,0,0,0|2,0,0]=4 221 B13R1.148 Cc1cccc(c1)NC(=O)C(=O)N 22a_100000188690_100011215815 [0,1,1,0,0,0|2,0,0]=4 222 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)Br 22a_100000210019_100011215815 [0,1,1,0,0,0|2,0,0]=4 223 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100011215815 [0,1,1,0,0,0|2,0,0]=4 224 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)F 22a_100000210047_100011215815 [0,1,1,0,0,0|2,0,0]=4 225 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)I 22a_100000211102_100011215815 [0,1,1,0,0,0|2,0,0]=4 226 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)O 22a_100000210217_100011215815 [0,1,1,0,0,0|2,0,0]=4 227 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200025704644 [0,1,1,0,0,0|2,0,0]=4 228 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200025704644 [0,1,1,0,0,0|2,0,0]=4 229 B13R1.152 CC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_200000210301 [0,1,1,0,0,0|2,0,0]=4 230 B13R1.152 CC(C(=O)O)N(C)c1ccccc1 269956a_100000189636_200000210301 [0,1,1,0,0,0|1,0,1]=4 231 B13R1.152 CC(C(=O)O)N([13CH3])c1ccccc1 269956a_100000189636_200025704644 [0,1,1,0,0,0|1,0,1]=4 232 B13R1.152 CN(C(=O)C(=O)N)c1ccccc1 22a_100000210012_100011215815 [0,1,1,0,0,0|2,0,0]=4 233 B13R1.152 CN(C(=O)C(=O)[13CH3])c1ccccc1 1458a_100011297159_200025704644 [0,1,1,0,0,0|2,0,0]=4 234 B13R1.202 CC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_200000210301 [0,1,1,0,0,0|2,0,0]=4 235 B13R1.202 CC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200000210301 [0,1,1,0,0,0|2,0,0]=4 236 B13R1.202 Cc1ccccc1NC(=O)C(=O)N 22a_100015192222_100011215815 [0,1,1,0,0,0|2,0,0]=4 237 B13R1.202 Cc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297352_200025704644 [0,1,1,0,0,0|2,0,0]=4 238 B13R1.202 NC(=O)C(=O)Nc1ccccc1Cl 22a_100000185783_100011215815 [0,1,1,0,0,0|2,0,0]=4 239 B13R1.202 NC(=O)C(=O)Nc1ccccc1F 22a_100000210422_100011215815 [0,1,1,0,0,0|2,0,0]=4 240 B13R1.202 NC(=O)C(=O)Nc1ccccc1O 22a_100000185747_100011215815 [0,1,1,0,0,0|2,0,0]=4 241 B13R1.202 [13CH3]C(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200025704644 [0,1,1,0,0,0|2,0,0]=4 242 B13R1.201 CN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200000210301 [0,1,1,0,0,0|1,0,1]=4 243 B13R1.201 CN(CC(=O)O)c1ccccc1F 269956a_200011202418_200000210301 [0,1,1,0,0,0|1,0,1]=4 244 B13R1.201 Cc1ccccc1N(C)CC(=O)O 269956a_200011202413_200000210301 [0,1,1,0,0,0|1,0,1]=4 245 B13R1.201 Cc1ccccc1N([13CH3])CC(=O)O 269956a_200011202413_200025704644 [0,1,1,0,0,0|1,0,1]=4 246 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200025704644 [0,1,1,0,0,0|1,0,1]=4 247 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1F 269956a_200011202418_200025704644 [0,1,1,0,0,0|1,0,1]=4 248 B13R1.528 COC(=O)/C=C/c1ccccc1O 271570a_203496583355_100000151022 [0,1,1,0,0,0|2,0,0]=4 249 B13R1.528 COC(=O)CNc1ccccc1Br 34a_100000210017_100000747449 [0,1,1,0,0,0|1,0,1]=4 250 B13R1.528 COC(=O)CNc1ccccc1C 34a_100015192222_100000747449 [0,1,1,0,0,0|1,0,1]=4 251 B13R1.528 COC(=O)CNc1ccccc1Cl 34a_100000185783_100000747449 [0,1,1,0,0,0|1,0,1]=4 252 B13R1.528 COC(=O)CNc1ccccc1F 34a_100000210422_100000747449 [0,1,1,0,0,0|1,0,1]=4 253 B13R1.528 COC(=O)CNc1ccccc1I 34a_100000210053_100000747449 [0,1,1,0,0,0|1,0,1]=4 254 B13R1.528 COC(=O)CNc1ccccc1O 34a_100000185747_100000747449 [0,1,1,0,0,0|1,0,1]=4 255 B13R1.528 COC(=O)COc1ccccc1N 34a_100000185747_100000747449 [0,1,1,0,0,0|1,0,1]=4 256 B13R1.528 COC(=O)COc1ccccc1N 7a_100000185747_100000747449 [0,1,1,0,0,0|1,0,1]=4 257 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000210017_100000747449 [0,1,1,0,0,0|1,0,1]=4 258 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000747449_100000210017 [0,1,1,0,0,0|1,0,1]=4 259 B13R1.528 Cc1ccccc1NNC(=O)CO 22a_100000184220_100000210174 [0,1,1,0,0,0|2,0,0]=4 260 B13R1.528 O=C(CO)NNc1ccccc1Br 22a_100000241748_100000210174 [0,1,1,0,0,0|2,0,0]=4 261 B13R1.528 O=C(CO)NNc1ccccc1Cl 22a_100000683529_100000210174 [0,1,1,0,0,0|2,0,0]=4 262 B13R1.528 O=C(CO)NNc1ccccc1F 22a_100000239246_100000210174 [0,1,1,0,0,0|2,0,0]=4 263 B13R1.528 O=C(CO)NNc1ccccc1I 22a_100011218156_100000210174 [0,1,1,0,0,0|2,0,0]=4 264 B13R2.26 C=C=Cc1cc2ccccc2[nH]1 271570a_100015277604_100010232065 [1,1,0,0,0,0|2,0,0]=4 265 B13R2.26 C=C=Cc1nc2ccccc2[nH]1 271570a_100015277604_100009814255 [1,1,0,0,0,0|1,0,0]=3 266 B13R2.26 C=C=Cc1nc2ccccc2s1 271570a_100015277604_100000751744 [1,1,0,0,0,0|2,0,0]=4 267 B13R2.26 CC=Cc1cc2ccccc2[nH]1 271570a_100016259895_100010232065 [1,1,0,0,0,0|2,0,0]=4 268 B13R2.26 CC=Cc1nc2ccccc2[nH]1 271570a_100016259895_100009814255 [1,1,0,0,0,0|1,0,0]=3 269 B13R2.26 CC=Cc1nc2ccccc2s1 271570a_100016259895_100000751744 [1,1,0,0,0,0|2,0,0]=4 270 B13R2.26 CCNc1nc2ccccc2[nH]1 27a_100015525214_100009814255 [1,1,0,0,0,0|1,0,1]=4 271 B13R2.26 CCSc1nc2ccccc2[nH]1 62a_100000210202_100009814255 [1,1,0,0,0,0|1,0,1]=4 272 B13R2.26 CNCc1nc2ccccc2[nH]1 207a_100102657272_100000185668 [1,1,0,0,0,0|1,0,1]=4 273 B13R2.26 CNCc1nc2ccccc2[nH]1 2230a_106832991635_100000737899 [1,1,0,0,0,0|1,0,1]=4 274 B13R2.26 CNCc1nc2ccccc2[nH]1 270004a_106832991635_100000185668 [1,1,0,0,0,0|1,0,1]=4 275 B13R2.26 CNCc1nc2ccccc2[nH]1 7a_106832991635_100000737899 [1,1,0,0,0,0|1,0,1]=4 276 B13R2.26 COCc1nc2ccccc2o1 34a_100138415774_200012361514 [1,1,0,0,0,0|1,0,1]=4 277 B13R2.26 COCc1nc2ccccc2s1 34a_100138415774_100011217541 [1,1,0,0,0,0|1,0,1]=4 278 B13R2.26 CSCc1nc2ccccc2[nH]1 62a_200000210301_100000737899 [1,1,0,0,0,0|0,1,1]=4 279 B13R2.26 FCSc1nc2ccccc2[nH]1 62a_100015361967_100009814255 [1,1,0,0,0,0|1,0,1]=4 280 B13R2.26 [13CH3]SCc1nc2ccccc2[nH]1 62a_200025704644_100000737899 [1,1,0,0,0,0|0,1,1]=4 281 B13R2.43 C=Cc1cc2cc(ccc2[nH]1)Br 271570a_100011290941_100011012855 [1,1,0,0,0,0|2,0,0]=4 282 B13R2.43 C=Cc1nc2cc(ccc2s1)F 271570a_100011290941_200010206605 [1,1,0,0,0,0|2,0,0]=4 283 B13R2.43 C=Cc1nc2cc(ccc2s1)N 271570a_100011290941_100010329861 [1,1,0,0,0,0|2,0,0]=4 284 B13R2.43 C=Cc1nc2ccc(cc2s1)C 271570a_100011290941_100010186437 [1,1,0,0,0,0|2,0,0]=4 285 B13R2.43 C=Cc1nc2ccc(cc2s1)F 271570a_100011290941_100000751617 [1,1,0,0,0,0|2,0,0]=4 286 B13R2.43 C=Cc1nc2ccc(cc2s1)N 271570a_100011290941_100010253933 [1,1,0,0,0,0|2,0,0]=4 287 B13R2.43 C=Cc1nc2ccc(cc2s1)O 271570a_100011290941_100010063415 [1,1,0,0,0,0|2,0,0]=4 288 B13R2.43 O=Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009820874 [1,1,0,0,0,0|1,0,0]=3 289 B13R2.43 O=Cc1cc2cc(ccc2o1)O 271570a_203496583355_100000755920 [1,1,0,0,0,0|2,0,0]=4 290 B13R2.43 O=Cc1cc2cc(ccc2s1)O 271570a_203496583355_100010238522 [1,1,0,0,0,0|2,0,0]=4 291 B13R2.43 O=Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000736022 [1,1,0,0,0,0|1,0,0]=3 292 B13R2.43 O=Cc1cc2ccc(cc2s1)O 271570a_203496583355_100009814784 [1,1,0,0,0,0|2,0,0]=4 293 B13R2.43 O=Cc1cn2cc(ccc2n1)O 271570a_203496583355_100012351728 [1,1,0,0,0,0|2,0,0]=4 294 B13R2.43 O=Cc1cn2ccc(cc2n1)O 271570a_203496583355_100000731868 [1,1,0,0,0,0|2,0,0]=4 295 B13R2.43 O=Cc1nc2ccc(cc2[nH]1)O 271570a_203496583355_200011361486 [1,1,0,0,0,0|0,0,0]=2 296 B13R2.43 OCc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000735881 [1,1,0,0,0,0|1,0,1]=4 297 B13R2.43 OCc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100000698547 [1,1,0,0,0,0|0,0,1]=3 298 B13R2.43 OCc1nc2ccc(nc2[nH]1)O 271570a_203496583355_100000101508 [1,1,0,0,0,0|1,0,1]=4 299 B13R2.43 OCc1nc2ncc(cc2[nH]1)O 271570a_203496583355_100000757314 [1,1,0,0,0,0|1,0,1]=4 300 B13R2.45 C=Cc1nc2ccccc2n1C 271570a_100011290941_200000239431 [1,1,0,0,0,0|1,0,0]=3 301 B13R2.45 CNc1nc2ccccc2n1C 27a_100102657272_200000239431 [1,1,0,0,0,0|2,0,0]=4 302 B13R2.45 CSc1nc2ccccc2n1C 62a_200000210301_200000239431 [1,1,0,0,0,0|2,0,0]=4 303 B13R2.45 CSc1nc2ccccc2n1C 62a_200000239431_200000210301 [1,1,0,0,0,0|2,0,0]=4 304 B13R2.45 Cn1c(nc2c1cccc2)S[13CH3] 62a_200000239431_200025704644 [1,1,0,0,0,0|2,0,0]=4 305 B13R2.45 Cn1c(nc2c1cccc2)S[13CH3] 62a_200025704644_200000239431 [1,1,0,0,0,0|2,0,0]=4 306 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [1,1,0,0,0,0|2,0,0]=4 307 B13R2.54 C=Cc1cc2cccc(c2[nH]1)Br 271570a_100011290941_100135389745 [1,1,0,0,0,0|2,0,0]=4 308 B13R2.54 C=Cc1nc2c(cccc2s1)C 271570a_100011290941_100010008827 [1,1,0,0,0,0|2,0,0]=4 309 B13R2.54 C=Cc1nc2c(cccc2s1)F 271570a_100011290941_100010008856 [1,1,0,0,0,0|2,0,0]=4 310 B13R2.54 O=Cc1cc2c(cccc2s1)O 271570a_203496583355_100010109917 [1,1,0,0,0,0|2,0,0]=4 311 B13R2.54 O=Cc1cc2cccc(c2s1)O 271570a_203496583355_100010110135 [1,1,0,0,0,0|2,0,0]=4 312 B13R2.54 O=Cc1cn2c(cccc2n1)O 271570a_203496583355_100010238484 [1,1,0,0,0,0|2,0,0]=4 313 B13R2.54 O=Cc1cn2cccc(c2n1)O 271570a_203496583355_100012360382 [1,1,0,0,0,0|2,0,0]=4 314 B15R2.629 CC(=Cc1nc2ccccc2n1C)C 271570a_100102525489_200000239431 [0,1,0,0,0,1|2,0,0]=4 315 B15R2.629 CC(=O)Cc1nc2ccccc2n1C 1458a_100000070787_100000748711 [0,1,0,0,0,1|1,0,0]=3 316 B15R2.1569 C#CC(=O)Cc1nc2ccccc2[nH]1 1458a_100000211873_100000737899 [0,1,0,0,0,1|1,0,0]=3 317 B15R2.1569 C#CC(=O)Cc1nc2ccccc2o1 1458a_100000211873_100000195508 [0,1,0,0,0,1|2,0,0]=4 318 B15R2.1569 C#CC(=O)Cc1nc2ccccc2s1 1458a_100000211873_100011217541 [0,1,0,0,0,1|2,0,0]=4 319 B15R2.1569 C#CC(=O)Cc1nc2cccnc2[nH]1 1458a_100000211873_100011549802 [0,1,0,0,0,1|2,0,0]=4 320 B15R2.1569 C=CC(=O)Cc1nc2ccccc2[nH]1 1458a_100000185746_100000737899 [0,1,0,0,0,1|1,0,0]=3 321 B15R2.1569 C=CC(=O)Cc1nc2ccccc2o1 1458a_100000185746_100000195508 [0,1,0,0,0,1|2,0,0]=4 322 B15R2.1569 C=CC(=O)Cc1nc2ccccc2s1 1458a_100000185746_100011217541 [0,1,0,0,0,1|2,0,0]=4 323 B15R2.1569 C=CC(=O)Cc1nc2cccnc2[nH]1 1458a_100000185746_100011549802 [0,1,0,0,0,1|2,0,0]=4 324 B15R2.1569 CC(CO)Sc1nc2ccccc2[nH]1 62a_100012180447_100009814255 [0,1,0,0,0,1|1,0,1]=4 325 B15R2.1569 CCC(=O)Cc1nc2ccccc2[nH]1 1458a_100000210414_100000737899 [0,1,0,0,0,1|1,0,0]=3 326 B15R2.1569 CCC(=O)Cc1nc2ccccc2o1 1458a_100000210414_100000195508 [0,1,0,0,0,1|2,0,0]=4 327 B15R2.1569 CCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100000210202 [0,1,0,0,0,1|2,0,0]=4 328 B15R2.1569 CCC(=O)Cc1nc2ccccc2s1 1458a_100000210414_100011217541 [0,1,0,0,0,1|2,0,0]=4 329 B15R2.1569 CCC(=O)Cc1nc2cccnc2[nH]1 1458a_100000210414_100011549802 [0,1,0,0,0,1|2,0,0]=4 330 B15R2.1569 CNC(=O)Cc1cc2ccccc2[nH]1 11a_106832991635_100000066551 [0,1,0,0,0,1|2,0,0]=4 331 B15R2.1569 CNC(=O)Cc1cc2ccccc2[nH]1 240690a_100102657272_100000066551 [0,1,0,0,0,1|2,0,0]=4 332 B15R2.1569 CNC(=O)Cc1cc2ccccc2[nH]1 527a_100102657272_100000066551 [0,1,0,0,0,1|2,0,0]=4 333 B15R2.1569 CNC(=O)Cc1nc2ccccc2[nH]1 240690a_100102657272_100000188031 [0,1,0,0,0,1|1,0,0]=3 334 B15R2.1569 CNC(=O)Cc1nc2ccccc2s1 240690a_100102657272_100000747980 [0,1,0,0,0,1|2,0,0]=4 335 B15R2.1569 COC(C)Sc1nc2ccccc2[nH]1 62a_100009879195_100009814255 [0,1,0,0,0,1|1,0,1]=4 336 B15R2.1569 C[C@H](CO)Nc1nc2ccccc2[nH]1 27a_100000737577_100009814255 [0,1,0,0,0,1|1,0,1]=4 337 B15R2.1569 C[C@H](CO)Sc1nc2ccccc2[nH]1 62a_100016084084_100009814255 [0,1,0,0,0,1|1,0,1]=4 338 B15R2.1569 O=C(CF)Cc1nc2ccccc2o1 1458a_100015185861_100015361967 [0,1,0,0,0,1|2,0,0]=4 339 B15R2.1569 O=C(CO)Cc1cn2ccccc2n1 1458a_100000210174_100000689847 [0,1,0,0,0,1|2,0,0]=4 340 B15R2.1569 O=C(CO)Cc1nc2ccccc2[nH]1 1458a_100000210174_100000737899 [0,1,0,0,0,1|0,0,0]=2 341 B15R2.1569 O=C(CO)Cc1nc2ccccc2o1 1458a_100000210174_100000195508 [0,1,0,0,0,1|1,0,0]=3 342 B15R2.1569 O=C(CO)Cc1nc2ccccc2s1 1458a_100000210174_100011217541 [0,1,0,0,0,1|1,0,0]=3 343 B15R2.1569 O=C(CO)Cc1nc2cccnc2[nH]1 1458a_100000210174_100011549802 [0,1,0,0,0,1|1,0,0]=3 344 B15R2.1569 O=C(CO)Cc1nc2ncccc2o1 1458a_100000210174_100000696355 [0,1,0,0,0,1|2,0,0]=4 345 B15R2.4244 CC(=C(C)c1nc2ccccc2[nH]1)C 271570a_200000049429_100009814255 [0,1,0,0,0,1|2,0,0]=4 346 B15R2.7252 CC(=O)Cc1nc2cc(ccc2[nH]1)Br 1458a_100000070787_100000701424 [0,1,0,0,0,1|1,0,0]=3 347 B15R2.7252 CC(=O)Cc1nc2cc(ccc2[nH]1)Cl 1458a_100000070787_100000179801 [0,1,0,0,0,1|1,0,0]=3 348 B15R2.7252 CC(=O)Cc1nc2cc(ccc2o1)Br 1458a_100000070787_100000730559 [0,1,0,0,0,1|2,0,0]=4 349 B15R2.7252 CC(=O)Cc1nc2cc(ccc2o1)C 1458a_100000070787_100011374149 [0,1,0,0,0,1|2,0,0]=4 350 B15R2.7252 CC(=O)Cc1nc2cc(ccc2o1)Cl 1458a_100000070787_100011222916 [0,1,0,0,0,1|2,0,0]=4 351 B15R2.7252 CC(=O)Cc1nc2cc(ccc2o1)F 1458a_100000070787_100000687093 [0,1,0,0,0,1|2,0,0]=4 352 B15R2.7252 CC(=O)Cc1nc2ccc(cc2[nH]1)C 1458a_100000070787_100020603265 [0,1,0,0,0,1|1,0,0]=3 353 B15R2.7252 CC(=O)Cc1nc2ccc(cc2[nH]1)F 1458a_100000070787_200011347187 [0,1,0,0,0,1|1,0,0]=3 354 B15R2.7252 CC(=O)Cc1nc2ccc(cc2o1)Br 1458a_100000070787_100000729449 [0,1,0,0,0,1|2,0,0]=4 355 B15R2.7252 CC(=O)Cc1nc2ccc(cc2o1)C 1458a_100000070787_100011295139 [0,1,0,0,0,1|2,0,0]=4 356 B15R2.7252 CC(=O)Cc1nc2ccc(cc2o1)F 1458a_100000070787_100000687025 [0,1,0,0,0,1|2,0,0]=4 357 B15R2.13461 CC(=O)Cc1nc2c(cccc2o1)C 1458a_100000070787_100011397728 [0,1,0,0,0,1|2,0,0]=4 358 B15R2.13461 CC(=O)Cc1nc2c(ccnc2[nH]1)C 1458a_100000070787_200000699823 [0,1,0,0,0,1|2,0,0]=4 359 B15R2.984 CN1Cc2ccccc2CC1C(=O)O 269956a_100000182451_200000210301 [0,1,0,0,0,1|1,0,1]=4 360 B15R2.984 [13CH3]N1Cc2ccccc2CC1C(=O)O 269956a_100000182451_200025704644 [0,1,0,0,0,1|1,0,1]=4 361 B15R2.1592 COC(=O)c1[nH]c2ccccc2c1O 271570a_203496583355_100009828464 [0,2,0,0,0,0|1,0,0]=3 362 B15R2.1592 COC(=O)c1sc2ccccc2c1O 271570a_203496583355_100010271729 [0,2,0,0,0,0|2,0,0]=4 363 B15R2.1356 CN(CCO)c1nc2ccccc2[nH]1 27a_100000210263_100009814255 [0,2,0,0,0,0|2,0,0]=4 364 B15R2.1356 CNCC(=O)c1nc2ccccc2s1 2230a_106832991635_100000198972 [0,2,0,0,0,0|2,0,0]=4 365 B15R2.1356 CSCC(=O)c1nc2ccccc2s1 62a_100000198972_200000210301 [0,2,0,0,0,0|1,1,0]=4 366 B15R2.1356 O=C(CCO)C1=Cc2ccccc2C1 1458a_100009862756_100000211926 [0,2,0,0,0,0|2,0,0]=4 367 B15R2.1356 [13CH3]SCC(=O)c1nc2ccccc2s1 62a_100000198972_200025704644 [0,2,0,0,0,0|1,1,0]=4 368 B15R2.1590 COC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814476 [0,2,0,0,0,0|1,0,0]=3 369 B15R2.1590 COC(=O)c1cc2cc(ccc2s1)O 271570a_203496583355_100009812836 [0,2,0,0,0,0|2,0,0]=4 370 B15R2.1590 COC(=O)c1cc2cc(cnc2[nH]1)O 271570a_203496583355_100010113459 [0,2,0,0,0,0|2,0,0]=4 371 B15R2.1590 COC(=O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000246269 [0,2,0,0,0,0|1,0,0]=3 372 B15R2.1590 COC(=O)c1cc2ccc(cc2o1)O 271570a_203496583355_100010365216 [0,2,0,0,0,0|2,0,0]=4 373 B15R2.1590 COC(=O)c1cc2ccc(cc2s1)O 271570a_203496583355_100010178015 [0,2,0,0,0,0|2,0,0]=4 374 B15R2.1590 COC(=O)c1cn2cc(ccc2n1)O 271570a_203496583355_100010000526 [0,2,0,0,0,0|2,0,0]=4 375 B15R2.1590 COC(=O)c1nc2ccc(cc2[nH]1)O 271570a_203496583355_100012351599 [0,2,0,0,0,0|0,0,0]=2 376 B15R2.1590 COC(=O)c1nc2ccc(cc2o1)O 271570a_203496583355_100010209328 [0,2,0,0,0,0|1,0,0]=3 377 B15R2.1590 COC(=O)c1nc2ccc(cc2s1)O 271570a_203496583355_200010167800 [0,2,0,0,0,0|1,0,0]=3 378 B15R2.1590 COC(=O)c1nc2ccc(cn2n1)O 271570a_203496583355_100010063687 [0,2,0,0,0,0|1,0,1]=4 379 B15R2.1590 COC(C)c1nc2ccc(cc2[nH]1)C 7a_100000187185_200000210301 [0,2,0,0,0,0|1,0,1]=4 380 B15R2.1590 Cc1ccc2nc([nH]c2c1)C(C)O[13CH3] 7a_100000187185_200025704644 [0,2,0,0,0,0|1,0,1]=4 381 B15R2.1590 NNC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814497 [0,2,0,0,0,0|2,0,0]=4 382 B15R2.1598 COC(=O)c1cc-2c(cc[nH]c2n1)O 271570a_203496583355_100009832017 [0,2,0,0,0,0|2,0,0]=4 383 B15R2.1598 COC(=O)c1cc2c(cccc2[nH]1)O 271570a_203496583355_100000736879 [0,2,0,0,0,0|1,0,0]=3 384 B15R2.1598 COC(=O)c1cc2c(cccc2s1)O 271570a_203496583355_100010178017 [0,2,0,0,0,0|2,0,0]=4 385 B15R2.1598 COC(=O)c1cc2cccc(c2[nH]1)O 271570a_203496583355_100010236140 [0,2,0,0,0,0|1,0,0]=3 386 B15R2.1598 COC(=O)c1cc2cccc(c2s1)O 271570a_203496583355_100010199691 [0,2,0,0,0,0|2,0,0]=4 387 B15R2.1598 COC(=O)c1cn2c(cccc2n1)O 271570a_203496583355_100010235564 [0,2,0,0,0,0|2,0,0]=4 388 B15R2.1598 COC(C)c1nc2c(cccc2[nH]1)C 7a_200011795234_200000210301 [0,2,0,0,0,0|1,0,1]=4 389 B15R2.1598 Cc1cccc2c1nc([nH]2)C(C)O[13CH3] 7a_200011795234_200025704644 [0,2,0,0,0,0|1,0,1]=4 390 B15R2.4834 C=Cc1ccc2[nH]c(cc2c1)C(=O)N 271570a_100011290941_100009814496 [0,2,0,0,0,0|2,0,0]=4 391 B15R2.4834 C=Cc1ccc2cc([nH]c2c1)C(=O)N 271570a_100011290941_100009814495 [0,2,0,0,0,0|2,0,0]=4 392 B15R2.4834 C=Cc1ccc2nc([nH]c2c1)C(=O)C 271570a_100011290941_200011795181 [0,2,0,0,0,0|1,0,0]=3 393 B15R2.4834 CSc1ccc2[nH]c(cc2c1)C(=O)N 62a_200000210301_100009814496 [0,2,0,0,0,0|2,0,0]=4 394 B15R2.4834 CSc1ccc2cc([nH]c2c1)C(=O)N 62a_200000210301_100009814495 [0,2,0,0,0,0|2,0,0]=4 395 B15R2.4834 [13CH3]Sc1ccc2[nH]c(cc2c1)C(=O)N 62a_200025704644_100009814496 [0,2,0,0,0,0|2,0,0]=4 396 B15R2.4834 [13CH3]Sc1ccc2cc([nH]c2c1)C(=O)N 62a_200025704644_100009814495 [0,2,0,0,0,0|2,0,0]=4 397 B13R2.369 Cc1nc2ccccc2nc1O 271570a_203496583355_100000185947 [0,0,1,1,0,0|2,0,0]=4 398 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [0,0,1,1,0,0|2,0,0]=4 399 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [0,0,1,1,0,0|1,0,0]=3 400 B13R2.369 Nc1nc2ccccc2nc1O 271570a_203496583355_100000009970 [0,0,1,1,0,0|1,0,0]=3 401 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,0,1,1,0,0|2,0,0]=4 402 B13R2.369 Oc1cc2ccccc2nc1Cl 271570a_203496583355_100010220712 [0,0,1,1,0,0|2,0,0]=4 403 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [0,0,1,1,0,0|2,0,0]=4 404 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [0,0,1,1,0,0|2,0,0]=4 405 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [0,0,1,1,0,0|2,0,0]=4 406 B13R2.5179 Cc1cccc2c1ncc(c2)O 271570a_203496583355_100009829671 [0,0,1,1,0,0|2,0,0]=4 407 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [0,0,1,1,0,0|2,0,0]=4 408 B13R2.5179 Nc1cccc2c1ncc(c2)O 271570a_203496583355_100000702407 [0,0,1,1,0,0|1,0,0]=3 409 B13R2.5179 Oc1cnc2c(cccc2c1)Br 271570a_203496583355_100010204298 [0,0,1,1,0,0|2,0,0]=4 410 B13R2.5179 Oc1cnc2c(cccc2c1)Cl 271570a_203496583355_100000759377 [0,0,1,1,0,0|2,0,0]=4 411 B13R2.5179 Oc1cnc2c(cccc2c1)F 271570a_203496583355_100000049890 [0,0,1,1,0,0|2,0,0]=4 412 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,0,1,0,1,0|2,0,0]=4 413 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,0,1,0,1,0|2,0,0]=4 414 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [0,0,1,0,1,0|2,0,0]=4 415 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,0,1,0,1,0|2,0,0]=4 416 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,0,1,0,1,0|2,0,0]=4 417 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,0,1,0,1,0|2,0,0]=4 418 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,0,1,0,1,0|2,0,0]=4 419 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,0,1,0,1,0|2,0,0]=4 420 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,0,1,0,1,0|2,0,0]=4 421 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,0,1,0,1,0|2,0,0]=4 422 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,0,1,0,1,0|2,0,0]=4 423 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,0,1,0,1,0|2,0,0]=4 424 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,0,1,0,1,0|2,0,0]=4 425 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,0,1,0,1,0|2,0,0]=4 426 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,0,1,0,1,0|2,0,0]=4 427 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,0,1,0,1,0|2,0,0]=4 428 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,0,1,0,1,0|2,0,0]=4 429 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,0,1,0,1,0|2,0,0]=4 430 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,0,1,0,1,0|2,0,0]=4 431 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,0,1,0,1,0|2,0,0]=4 432 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,0,1,0,1,0|2,0,0]=4 433 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,0,1,0,1,0|2,0,0]=4 434 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,0,1,0,1,0|2,0,0]=4 435 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 1458a_100000070787_100000182850 [0,0,1,0,0,1|2,0,0]=4 436 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100134613110 [0,0,1,0,0,1|2,0,0]=4 437 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 527a_100000106764_100134613110 [0,0,1,0,0,1|2,0,0]=4 438 B13R1.351 CC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011261029 [0,0,1,0,0,1|2,0,0]=4 439 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,0,1,0,0,1|1,0,1]=4 440 B13R1.351 NC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100011215815 [0,0,1,0,0,1|2,0,0]=4 441 B13R1.351 NC(=O)C(=O)NNc1ccccc1 22a_100015195140_100011215815 [0,0,1,0,0,1|2,0,0]=4 442 B13R1.158 Cc1ccccc1CNCC(=O)O 269956a_100016091260_100000211750 [0,0,1,0,0,1|1,0,1]=4 443 B13R1.158 O=C(O)CNCc1ccccc1Br 269956a_100016091260_100000184730 [0,0,1,0,0,1|1,0,1]=4 444 B13R1.158 O=C(O)CNCc1ccccc1Cl 269956a_100016091260_100000187162 [0,0,1,0,0,1|1,0,1]=4 445 B13R1.158 O=C(O)CNCc1ccccc1F 269956a_100016091260_100000187165 [0,0,1,0,0,1|1,0,1]=4 446 B13R1.158 O=C(O)CNCc1ccccc1I 269956a_100016091260_100011216222 [0,0,1,0,0,1|1,0,1]=4 447 B13R2.57 C=Cc1cc2ccccc2cn1 271570a_100011290941_100000047361 [1,0,0,0,0,1|2,0,0]=4 448 B13R2.57 C=Cc1ccc2ccccc2n1 271570a_100011290941_100011291633 [1,0,0,0,0,1|2,0,0]=4 449 B13R2.57 C=Cc1cnc2ccccc2c1 271570a_100011290941_100000737414 [1,0,0,0,0,1|2,0,0]=4 450 B13R2.57 C=Cc1cnc2ccccc2n1 271570a_100011290941_100000756483 [1,0,0,0,0,1|1,0,1]=4 451 B13R2.57 C=Cc1ncc2ccccc2n1 271570a_100011290941_100000097389 [1,0,0,0,0,1|1,0,1]=4 452 B15R2.1660 C=C(C)CNc1nc2ccccc2[nH]1 27a_100000765925_100009814255 [0,0,0,0,0,2|2,0,0]=4 453 B15R2.1660 C=C(C)CSc1nc2ccccc2[nH]1 62a_100000748629_100009814255 [0,0,0,0,0,2|2,0,0]=4 454 B15R2.1660 C=C(F)CSc1nc2ccccc2[nH]1 62a_100000042424_100009814255 [0,0,0,0,0,2|2,0,0]=4 455 B15R2.1660 CC(=O)C=Cc1nc2ccccc2o1 1458a_100000697878_200000210301 [0,0,0,0,0,2|2,0,0]=4 456 B15R2.1660 CC(=O)C=Cc1nc2ccccc2s1 1458a_100000682698_200000210301 [0,0,0,0,0,2|2,0,0]=4 457 B15R2.1660 CC(=O)CCc1nc2ccccc2[nH]1 1458a_100102526157_200000210301 [0,0,0,0,0,2|1,0,0]=3 458 B15R2.1660 CC(=O)CCc1nc2ccccc2s1 1458a_100000182949_200000210301 [0,0,0,0,0,2|2,0,0]=4 459 B15R2.1660 CC(=O)CSc1nc2ccccc2[nH]1 1458a_100000179484_200000210301 [0,0,0,0,0,2|1,0,0]=3 460 B15R2.1660 CC(=O)CSc1nc2ccccc2o1 1458a_200000179485_200000210301 [0,0,0,0,0,2|2,0,0]=4 461 B15R2.1660 CC(=O)CSc1nc2ccccc2s1 1458a_100000179486_200000210301 [0,0,0,0,0,2|2,0,0]=4 462 B15R2.1660 CC(=O)NCc1cc2ccccc2[nH]1 11a_100015204011_100015343762 [0,0,0,0,0,2|2,0,0]=4 463 B15R2.1660 CC(=O)NCc1cc2ccccc2[nH]1 240690a_100015204011_100015343762 [0,0,0,0,0,2|2,0,0]=4 464 B15R2.1660 CC(=O)NCc1cc2ccccc2[nH]1 527a_100015204011_100103153847 [0,0,0,0,0,2|2,0,0]=4 465 B15R2.1660 CC(=O)NCc1nc2ccccc2[nH]1 240690a_100000729406_100015343762 [0,0,0,0,0,2|1,0,0]=3 466 B15R2.1660 CC(=O)NCc1nc2ccccc2[nH]1 527a_100000729406_100103153847 [0,0,0,0,0,2|1,0,0]=3 467 B15R2.1660 CC(=O)NCc1nc2ccccc2o1 11a_100000733820_100015343762 [0,0,0,0,0,2|2,0,0]=4 468 B15R2.1660 CC(=O)NCc1nc2ccccc2o1 1626a_100000733820_100015343762 [0,0,0,0,0,2|2,0,0]=4 469 B15R2.1660 CC(=O)NCc1nc2ccccc2o1 240690a_100000733820_100015343762 [0,0,0,0,0,2|2,0,0]=4 470 B15R2.1660 CC(=O)NCc1nc2ccccc2o1 527a_100000733820_100103153847 [0,0,0,0,0,2|2,0,0]=4 471 B15R2.1660 CC(=O)NCc1nc2ccccc2s1 11a_100000174905_100015343762 [0,0,0,0,0,2|2,0,0]=4 472 B15R2.1660 CC(=O)NCc1nc2ccccc2s1 1626a_100000174905_100015343762 [0,0,0,0,0,2|2,0,0]=4 473 B15R2.1660 CC(=O)NCc1nc2ccccc2s1 240690a_100000174905_100015343762 [0,0,0,0,0,2|2,0,0]=4 474 B15R2.1660 CC(=O)NCc1nc2ccccc2s1 527a_100000174905_100103153847 [0,0,0,0,0,2|2,0,0]=4 475 B15R2.1660 CC(=O)NNc1nc2ccccc2[nH]1 22a_100000188875_100000070787 [0,0,0,0,0,2|1,0,0]=3 476 B15R2.1660 CC(=O)NNc1nc2ccccc2o1 22a_100000182307_100000070787 [0,0,0,0,0,2|2,0,0]=4 477 B15R2.1660 CC(=O)NNc1nc2ccccc2s1 22a_100000181811_100000070787 [0,0,0,0,0,2|2,0,0]=4 478 B15R2.1660 CC(O)C=Cc1nc2ccccc2[nH]1 271570a_200011019289_100009814255 [0,0,0,0,0,2|1,0,1]=4 479 B15R2.1660 CC(O)CNc1nc2ccccc2[nH]1 27a_100000210904_100009814255 [0,0,0,0,0,2|1,0,1]=4 480 B15R2.1660 CC(O)CSc1nc2ccccc2[nH]1 62a_100011218427_100009814255 [0,0,0,0,0,2|1,0,1]=4 481 B15R2.1660 C[C@@H](O)CSc1nc2ccccc2[nH]1 62a_100009817552_100009814255 [0,0,0,0,0,2|1,0,1]=4 482 B15R2.1660 NC(=O)CSc1cc2ccccc2[nH]1 62a_100000747473_100010232065 [0,0,0,0,0,2|2,0,0]=4 483 B15R2.1660 NC(=O)CSc1nc2ccccc2[nH]1 62a_100000747473_100009814255 [0,0,0,0,0,2|1,0,0]=3 484 B15R2.1660 NC(=O)CSc1nc2ccccc2s1 62a_100000747473_100000751744 [0,0,0,0,0,2|2,0,0]=4 485 B15R2.1660 O=C([O-])CSc1cc2ccccc2[nH]1 62a_100020667443_100010232065 [0,0,0,0,0,2|1,0,1]=4 486 B15R2.1660 O=C([O-])CSc1nc2ccccc2[nH]1 62a_100020667443_100009814255 [0,0,0,0,0,2|0,0,1]=3 487 B15R2.1660 O=C([O-])CSc1nc2ccccc2s1 62a_100020667443_100000751744 [0,0,0,0,0,2|1,0,1]=4 488 B15R2.1660 [13CH3]C(=O)C=Cc1nc2ccccc2o1 1458a_100000697878_200025704644 [0,0,0,0,0,2|2,0,0]=4 489 B15R2.1660 [13CH3]C(=O)C=Cc1nc2ccccc2s1 1458a_100000682698_200025704644 [0,0,0,0,0,2|2,0,0]=4 490 B15R2.1660 [13CH3]C(=O)CCc1nc2ccccc2[nH]1 1458a_100102526157_200025704644 [0,0,0,0,0,2|1,0,0]=3 491 B15R2.1660 [13CH3]C(=O)CCc1nc2ccccc2s1 1458a_100000182949_200025704644 [0,0,0,0,0,2|2,0,0]=4 492 B15R2.1660 [13CH3]C(=O)CSc1nc2ccccc2[nH]1 1458a_100000179484_200025704644 [0,0,0,0,0,2|1,0,0]=3 493 B15R2.1660 [13CH3]C(=O)CSc1nc2ccccc2o1 1458a_200000179485_200025704644 [0,0,0,0,0,2|2,0,0]=4 494 B15R2.1660 [13CH3]C(=O)CSc1nc2ccccc2s1 1458a_100000179486_200025704644 [0,0,0,0,0,2|2,0,0]=4 495 B15R2.1668 CC(=O)Cc1cc2ccccc2cn1 1458a_100000070787_100009869231 [0,0,0,0,0,2|2,0,0]=4 496 B15R2.1668 CC(=O)Cc1ccc2ccccc2n1 1458a_100000070787_100000737579 [0,0,0,0,0,2|2,0,0]=4 497 B15R2.1668 CC(=O)Cc1cnc2ccccc2n1 1458a_100000070787_200000751123 [0,0,0,0,0,2|1,0,1]=4 498 B15R2.1668 CC(=O)Cc1ncc2ccccc2n1 1458a_100000070787_100009868571 [0,0,0,0,0,2|1,0,1]=4