0 B13R2.435 C=C(C)c1cc2ccccc2[nH]1 271570a_100000694244_100010232065 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.435 C=C(C)c1cc2ccccc2o1 271570a_100000694244_100010159458 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.435 C=C(C)c1cc2ccccc2s1 271570a_100000694244_100009816949 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.435 C=C(C)c1cc2cccnc2[nH]1 271570a_100000694244_100010079843 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.435 C=C(C)c1cn2ccccc2n1 271570a_100000694244_100009819586 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.435 C=C(C)c1nc2ccccc2[nH]1 271570a_100000694244_100009814255 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.435 C=C(C)c1nc2ccccc2s1 271570a_100000694244_100000751744 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [0,0,0,0,0,0|2,0,0]=2 8 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000070787_100000753484 [0,0,0,0,0,0|2,0,2]=4 9 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000685393_200000210301 [0,0,0,0,0,0|2,0,2]=4 10 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [0,0,0,0,0,0|2,0,2]=4 11 B13R2.435 CC(=O)C1Cc2ccccc2S1 1458a_100000024912_200000210301 [0,0,0,0,0,0|2,0,2]=4 12 B13R2.435 CC(=O)N1Cc2ccccc2C1 11a_100000752595_100015343762 [0,0,0,0,0,0|3,0,1]=4 13 B13R2.435 CC(=O)N1Cc2ccccc2C1 1626a_100000752595_100015343762 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.435 CC(=O)N1Cc2ccccc2C1 240690a_100000752595_100015343762 [0,0,0,0,0,0|3,0,1]=4 15 B13R2.435 CC(=O)N1Cc2ccccc2C1 527a_100000752595_100103153847 [0,0,0,0,0,0|3,0,1]=4 16 B13R2.435 CN(C)c1nc2ccccc2[nH]1 27a_100102631434_100009814255 [0,0,0,0,0,0|4,0,0]=4 17 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [0,0,0,0,0,0|2,0,0]=2 18 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2C1 1458a_100000685393_200025704644 [0,0,0,0,0,0|2,0,2]=4 19 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [0,0,0,0,0,0|2,0,2]=4 20 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2S1 1458a_100000024912_200025704644 [0,0,0,0,0,0|2,0,2]=4 21 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [1,0,0,0,0,0|1,0,0]=2 22 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [1,0,0,0,0,0|2,0,0]=3 23 B12R2.32 C=Cc1cc2ccccc2s1 271570a_100011290941_100009816949 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.32 C=Cc1cc2cccnc2[nH]1 271570a_100011290941_100010079843 [1,0,0,0,0,0|2,0,0]=3 25 B12R2.32 C=Cc1cn2ccccc2n1 271570a_100011290941_100009819586 [1,0,0,0,0,0|2,0,1]=4 26 B12R2.32 C=Cc1nc2ccccc2[nH]1 271570a_100011290941_100009814255 [1,0,0,0,0,0|2,0,0]=3 27 B12R2.32 C=Cc1nc2ccccc2s1 271570a_100011290941_100000751744 [1,0,0,0,0,0|2,0,1]=4 28 B12R2.32 CNc1nc2ccccc2[nH]1 27a_100102657272_100009814255 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.32 CSc1cc2ccccc2s1 62a_200000210301_100009816949 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.32 CSc1cc2cccnc2[nH]1 62a_200000210301_100010079843 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.32 CSc1nc2ccccc2[nH]1 62a_200000210301_100009814255 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.32 [13CH3]Sc1cc2ccccc2s1 62a_200025704644_100009816949 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.32 [13CH3]Sc1cc2cccnc2[nH]1 62a_200025704644_100010079843 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.32 [13CH3]Sc1nc2ccccc2[nH]1 62a_200025704644_100009814255 [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|3,0,0]=4 40 B14R2.450 C=C(C)c1sc2ccccc2c1C 271570a_100000694244_200010198769 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.450 CC(=O)C1=C(c2ccccc2C1)C 1458a_200000242466_200000210301 [0,1,0,0,0,0|2,0,0]=3 42 B14R2.450 CC(=O)C1Cc2ccccc2C1=O 1458a_100000070787_100011218503 [0,1,0,0,0,0|2,0,1]=4 43 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)[13CH3] 1458a_200000242466_200025704644 [0,1,0,0,0,0|2,0,0]=3 44 B14R2.972 CC(O[13CH3])c1cc2ccccc2o1 34a_100000198572_200025704644 [0,1,0,0,0,0|2,0,1]=4 45 B14R2.972 CC(O[13CH3])c1cc2ccccc2o1 7a_100000198572_200025704644 [0,1,0,0,0,0|2,0,1]=4 46 B14R2.972 CCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210202 [0,1,0,0,0,0|2,0,0]=3 47 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 11a_106832991635_100009862756 [0,1,0,0,0,0|2,0,0]=3 48 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 1626a_100102657272_100009862756 [0,1,0,0,0,0|2,0,0]=3 49 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 240690a_100102657272_100009862756 [0,1,0,0,0,0|2,0,0]=3 50 B14R2.972 CNC(C)c1cc2ccccc2[nH]1 269862a_106832991636_100000696822 [0,1,0,0,0,0|2,0,1]=4 51 B14R2.972 COC(C)c1cc2ccccc2o1 34a_100000198572_200000210301 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.972 COC(C)c1cc2ccccc2o1 7a_100000198572_200000210301 [0,1,0,0,0,0|2,0,1]=4 53 B14R2.972 O=C(CF)C1=Cc2ccccc2C1 1458a_100009862756_100015361967 [0,1,0,0,0,0|2,0,0]=3 54 B14R2.972 O=C(CO)C1Cc2ccccc2C1 1458a_100000210174_100000753484 [0,1,0,0,0,0|1,0,2]=4 55 B14R2.972 O=C(CO)N1Cc2ccccc2C1 240690a_100000752595_100000210174 [0,1,0,0,0,0|2,0,1]=4 56 B14R2.972 O=C(CO)N1Cc2ccccc2C1 527a_100000752595_100000210174 [0,1,0,0,0,0|2,0,1]=4 57 B14R2.4529 C=C(C)c1cc2cc(ccc2[nH]1)Br 271570a_100000694244_100011012855 [0,1,0,0,0,0|2,0,0]=3 58 B14R2.4529 C=C(C)c1cc2cc(ccc2s1)Br 271570a_100000694244_200010198765 [0,1,0,0,0,0|3,0,0]=4 59 B14R2.4529 CC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000181247 [0,1,0,0,0,0|2,0,0]=3 60 B14R2.4529 CC(=O)c1nc2ccc(cc2[nH]1)O 271570a_203496583355_200011795181 [0,1,0,0,0,0|2,0,0]=3 61 B14R2.4529 CC(=O)n1cc2cc(ccc2n1)O 271570a_203496583355_100010240164 [0,1,0,0,0,0|2,0,1]=4 62 B14R2.4529 CC(=O)n1cc2ccc(cc2n1)O 271570a_203496583355_100010184422 [0,1,0,0,0,0|2,0,1]=4 63 B14R2.4529 CC(O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000246534 [0,1,0,0,0,0|2,0,1]=4 64 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814496 [0,1,0,0,0,0|1,0,0]=2 65 B14R2.4529 NC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000185017 [0,1,0,0,0,0|2,0,0]=3 66 B14R2.4529 NC(=O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_100009814495 [0,1,0,0,0,0|1,0,0]=2 67 B14R2.4529 OB(O)c1cc2cc(ccc2o1)O 271570a_203496583355_100010176198 [0,1,0,0,0,0|2,0,1]=4 68 B14R2.4529 OB(O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_200010246288 [0,1,0,0,0,0|1,0,1]=3 69 B14R2.4529 OB(O)c1cc2ccc(cc2s1)O 271570a_203496583355_100015653926 [0,1,0,0,0,0|2,0,1]=4 70 B14R2.7969 C=C(C)c1cc2c(ccnc2[nH]1)Cl 271570a_100000694244_100010234028 [0,1,0,0,0,0|3,0,0]=4 71 B14R2.7969 C=C(C)c1cc2cccc(c2[nH]1)Br 271570a_100000694244_100135389745 [0,1,0,0,0,0|2,0,0]=3 72 B14R2.7969 CC(=O)c1cc2cccc(c2o1)O 271570a_203496583355_100011280056 [0,1,0,0,0,0|2,0,0]=3 73 B14R2.7969 NC(=O)c1cc2cccc(c2s1)O 271570a_203496583355_100020879177 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,0,1,0,0,0|2,0,0]=3 75 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_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|2,0,0]=3 88 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,0,1,0,0,0|2,0,0]=3 89 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [0,0,1,0,0,0|3,0,0]=4 90 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,0,1,0,0,0|2,0,0]=3 91 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [0,0,1,0,0,0|3,0,0]=4 92 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,0,1,0,0,0|2,0,0]=3 93 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,0,1,0,0,0|1,0,2]=4 94 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,0,1,0,0,0|2,0,1]=4 95 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,0,1,0,0,0|2,0,1]=4 96 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,0,1,0,0,0|2,0,1]=4 97 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,0,1,0,0,0|2,0,0]=3 98 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,0,1,0,0,0|2,0,1]=4 99 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,0,1,0,0,0|1,0,2]=4 100 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,0,1,0,0,0|1,0,2]=4 101 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,0,1,0,0,0|2,0,0]=3 102 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,0,1,0,0,0|2,0,0]=3 103 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [0,0,1,0,0,0|3,0,0]=4 104 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,0,1,0,0,0|2,0,0]=3 105 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [0,0,1,0,0,0|2,0,0]=3 106 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [0,0,1,0,0,0|2,0,0]=3 107 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [0,0,1,0,0,0|2,0,0]=3 108 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [0,0,1,0,0,0|2,0,0]=3 109 B12R1.125 CC(=O)NNc1ccccc1Br 22a_100000241748_100000070787 [0,0,1,0,0,0|3,0,0]=4 110 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [0,0,1,0,0,0|2,0,1]=4 111 B12R1.125 CC(=O)NNc1ccccc1Cl 22a_100000683529_100000070787 [0,0,1,0,0,0|3,0,0]=4 112 B12R1.125 CC(=O)NNc1ccccc1F 22a_100000239246_100000070787 [0,0,1,0,0,0|3,0,0]=4 113 B12R1.125 CC(=O)NNc1ccccc1I 22a_100011218156_100000070787 [0,0,1,0,0,0|3,0,0]=4 114 B12R1.125 CC(C)C=Cc1ccccc1N 271570a_100016257149_100000210017 [0,0,1,0,0,0|2,0,1]=4 115 B12R1.125 CC(O)C=Cc1ccccc1Br 271570a_200011019289_100000695589 [0,0,1,0,0,0|2,0,1]=4 116 B12R1.125 CC(O)C=Cc1ccccc1Cl 271570a_200011019289_100000764095 [0,0,1,0,0,0|2,0,1]=4 117 B12R1.125 CC(O)C=Cc1ccccc1F 271570a_200011019289_100011215700 [0,0,1,0,0,0|2,0,1]=4 118 B12R1.125 CC(O)C=Cc1ccccc1N 271570a_200011019289_100000210017 [0,0,1,0,0,0|1,0,1]=3 119 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [0,0,1,0,0,0|2,0,1]=4 120 B12R1.125 CC(O)C=Cc1cccnc1N 271570a_200011019289_100000045569 [0,0,1,0,0,0|2,0,1]=4 121 B12R1.125 CC(O)C=Cc1ccncc1N 271570a_200011019289_100009815883 [0,0,1,0,0,0|2,0,1]=4 122 B12R1.125 CC(O)C=Cc1cnccc1N 271570a_200011019289_100000047001 [0,0,1,0,0,0|2,0,1]=4 123 B12R1.125 CC(O)C=Cc1ncccc1N 271570a_200011019289_100000688686 [0,0,1,0,0,0|2,0,1]=4 124 B12R1.125 Cc1ccccc1C=CC(C)O 271570a_200011019289_100000210755 [0,0,1,0,0,0|2,0,1]=4 125 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,0,1,0,0,0|1,0,2]=4 126 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,0,1,0,0,0|0,0,3]=4 127 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,0,1,0,0,0|2,0,1]=4 128 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,0,1,0,0,0|2,0,1]=4 129 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,0,1,0,0,0|2,0,1]=4 130 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,0,1,0,0,0|2,0,1]=4 131 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,0,1,0,0,0|2,0,1]=4 132 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,0,1,0,0,0|2,0,1]=4 133 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,0,1,0,0,0|2,0,1]=4 134 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,0,1,0,0,0|2,0,1]=4 135 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,0,1,0,0,0|2,0,1]=4 136 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,0,1,0,0,0|1,0,2]=4 137 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,0,1,0,0,0|1,0,2]=4 138 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,0,1,0,0,0|1,0,2]=4 139 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,0,1,0,0,0|1,0,2]=4 140 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,0,1,0,0,0|1,0,2]=4 141 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,0,1,0,0,0|1,0,2]=4 142 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,0,1,0,0,0|1,0,2]=4 143 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,0,1,0,0,0|1,0,2]=4 144 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [0,0,1,0,0,0|2,0,0]=3 145 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [0,0,1,0,0,0|2,0,0]=3 146 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [0,0,1,0,0,0|2,0,0]=3 147 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [0,0,1,0,0,0|2,0,0]=3 148 B12R1.337 C=CCSc1c[nH]c(c1)C(=O)N 62a_100000210623_100000229580 [0,0,1,0,0,0|2,0,1]=4 149 B12R1.337 C=CCSc1c[nH]c(c1)C(=O)N 62a_100000229580_100000210623 [0,0,1,0,0,0|2,0,1]=4 150 B12R1.337 C=CCSc1ccc([nH]1)C(=O)C 62a_200010494458_100000210623 [0,0,1,0,0,0|2,0,1]=4 151 B14R3.14987 c1ccc2[nH]c(cc2c1)C3CC3 271570a_100011220607_100010232065 [0,0,0,1,0,0|2,0,1]=4 152 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,0,1,0|1,0,2]=4 153 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,0,1,0|1,0,2]=4 154 B14R2.768 CC(=Cc1cc2ccccc2[nH]1)C 271570a_100102525489_100010232065 [0,0,0,0,0,1|2,0,0]=3 155 B14R2.768 CC(=Cc1cc2ccccc2o1)C 271570a_100102525489_100010159458 [0,0,0,0,0,1|3,0,0]=4 156 B14R2.768 CC(=Cc1cc2ccccc2s1)C 271570a_100102525489_100009816949 [0,0,0,0,0,1|3,0,0]=4 157 B14R2.768 CC(=Cc1cc2cccnc2[nH]1)C 271570a_100102525489_100010079843 [0,0,0,0,0,1|3,0,0]=4 158 B14R2.768 CC(=Cc1nc2ccccc2[nH]1)C 271570a_100102525489_100009814255 [0,0,0,0,0,1|3,0,0]=4 159 B14R2.768 CC(=O)Cc1cc2ccccc2o1 1458a_100000735538_200000210301 [0,0,0,0,0,1|2,0,0]=3 160 B14R2.768 CC(=O)Cc1cc2ccccc2s1 1458a_100012001211_200000210301 [0,0,0,0,0,1|2,0,0]=3 161 B14R2.768 CC(=O)Cc1cn2ccccc2n1 1458a_100000070787_100000689847 [0,0,0,0,0,1|2,0,1]=4 162 B14R2.768 CC(=O)Cc1nc2ccccc2[nH]1 1458a_100000070787_100000737899 [0,0,0,0,0,1|2,0,0]=3 163 B14R2.768 CC(=O)Cc1nc2ccccc2o1 1458a_100000070787_100000195508 [0,0,0,0,0,1|2,0,1]=4 164 B14R2.768 CC(=O)Cc1nc2ccccc2o1 1458a_100015185861_200000210301 [0,0,0,0,0,1|2,0,1]=4 165 B14R2.768 CC(=O)Cc1nc2ccccc2s1 1458a_100000070787_100011217541 [0,0,0,0,0,1|2,0,1]=4 166 B14R2.768 CC(=O)Cc1nc2cccnc2[nH]1 1458a_100000070787_100011549802 [0,0,0,0,0,1|3,0,0]=4 167 B14R2.768 CC(=O)Cn1cc2ccccc2n1 1458a_100000060251_200000210301 [0,0,0,0,0,1|2,0,1]=4 168 B14R2.768 CC(C)Sc1cc2ccccc2[nH]1 62a_100000210206_100010232065 [0,0,0,0,0,1|2,0,1]=4 169 B14R2.768 CN(C)Cc1cc2ccccc2[nH]1 2230a_100000685833_200000210301 [0,0,0,0,0,1|3,0,0]=4 170 B14R2.768 CN(C)Cc1cc2ccccc2[nH]1 269982a_100000685833_200000210301 [0,0,0,0,0,1|3,0,0]=4 171 B14R2.768 CN(C)Cc1cc2ccccc2[nH]1 270004a_100102631434_100000051030 [0,0,0,0,0,1|3,0,0]=4 172 B14R2.768 CN([13CH3])Cc1cc2ccccc2[nH]1 2230a_100000685833_200025704644 [0,0,0,0,0,1|3,0,0]=4 173 B14R2.768 CN([13CH3])Cc1cc2ccccc2[nH]1 269982a_100000685833_200025704644 [0,0,0,0,0,1|3,0,0]=4 174 B14R2.768 [13CH3]C(=O)Cc1cc2ccccc2o1 1458a_100000735538_200025704644 [0,0,0,0,0,1|2,0,0]=3 175 B14R2.768 [13CH3]C(=O)Cc1cc2ccccc2s1 1458a_100012001211_200025704644 [0,0,0,0,0,1|2,0,0]=3 176 B14R2.768 [13CH3]C(=O)Cc1nc2ccccc2o1 1458a_100015185861_200025704644 [0,0,0,0,0,1|2,0,1]=4 177 B14R2.768 [13CH3]C(=O)Cn1cc2ccccc2n1 1458a_100000060251_200025704644 [0,0,0,0,0,1|2,0,1]=4 178 B14R2.781 C=C(C)c1cc2ccccc2cn1 271570a_100000694244_100000047361 [0,0,0,0,0,1|2,0,1]=4 179 B14R2.781 C=C(C)c1ccc2ccccc2c1 271570a_100000694244_100000233703 [0,0,0,0,0,1|3,0,0]=4 180 B14R2.781 C=C(C)c1ccc2ccccc2n1 271570a_100000694244_100011291633 [0,0,0,0,0,1|2,0,1]=4 181 B14R2.781 C=C(C)c1cnc2ccccc2c1 271570a_100000694244_100000737414 [0,0,0,0,0,1|2,0,1]=4 182 B14R2.781 C=C(C)c1cnc2ccccc2n1 271570a_100000694244_100000756483 [0,0,0,0,0,1|2,0,1]=4 183 B14R2.781 C=C(C)c1ncc2ccccc2n1 271570a_100000694244_100000097389 [0,0,0,0,0,1|2,0,1]=4 184 B14R2.781 CC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_200000210301 [0,0,0,0,0,1|2,0,0]=3 185 B14R2.781 CC(=O)c1ccc2ccccc2c1 1458a_100000210637_200000210301 [0,0,0,0,0,1|2,0,0]=3 186 B14R2.781 CC(=O)c1ccc2cccnc2c1 1458a_100011933907_200000210301 [0,0,0,0,0,1|3,0,0]=4 187 B14R2.781 CC(=O)c1ccc2ccncc2c1 1458a_100000070124_200000210301 [0,0,0,0,0,1|3,0,0]=4 188 B14R2.781 CC(=O)c1ccc2cnccc2c1 1458a_100011935275_200000210301 [0,0,0,0,0,1|3,0,0]=4 189 B14R2.781 CC(=O)c1ccc2ncccc2c1 1458a_100011216044_200000210301 [0,0,0,0,0,1|3,0,0]=4 190 B14R2.781 [13CH3]C(=O)C1=Cc2ccccc2OC1 1458a_100000018039_200025704644 [0,0,0,0,0,1|2,0,0]=3 191 B14R2.781 [13CH3]C(=O)c1ccc2ccccc2c1 1458a_100000210637_200025704644 [0,0,0,0,0,1|2,0,0]=3 192 B14R2.781 [13CH3]C(=O)c1ccc2cccnc2c1 1458a_100011933907_200025704644 [0,0,0,0,0,1|3,0,0]=4 193 B14R2.781 [13CH3]C(=O)c1ccc2ccncc2c1 1458a_100000070124_200025704644 [0,0,0,0,0,1|3,0,0]=4 194 B14R2.781 [13CH3]C(=O)c1ccc2cnccc2c1 1458a_100011935275_200025704644 [0,0,0,0,0,1|3,0,0]=4 195 B14R2.781 [13CH3]C(=O)c1ccc2ncccc2c1 1458a_100011216044_200025704644 [0,0,0,0,0,1|3,0,0]=4 196 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,0,1,0,0,0|2,0,0]=4 197 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,0,1,0,0,0|2,0,0]=4 198 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,0,1,0,0,0|1,0,1]=4 199 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,0,1,0,0,0|1,0,1]=4 200 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,1,0,0,0|1,0,0]=3 201 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [1,0,1,0,0,0|2,0,0]=4 202 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [1,0,1,0,0,0|2,0,0]=4 203 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [1,0,1,0,0,0|2,0,0]=4 204 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [1,0,1,0,0,0|2,0,0]=4 205 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,0,1,0,0,0|1,0,1]=4 206 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,0,1,0,0,0|1,0,1]=4 207 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [1,0,1,0,0,0|0,0,2]=4 208 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,1,0,0,0|1,0,0]=3 209 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [1,0,1,0,0,0|2,0,0]=4 210 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [1,0,1,0,0,0|2,0,0]=4 211 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [1,0,1,0,0,0|2,0,0]=4 212 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [1,0,1,0,0,0|0,0,2]=4 213 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [1,0,1,0,0,0|1,0,1]=4 214 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [1,0,1,0,0,0|1,0,1]=4 215 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [1,0,1,0,0,0|1,0,1]=4 216 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [1,0,1,0,0,0|1,0,1]=4 217 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [1,0,1,0,0,0|1,0,1]=4 218 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [1,0,1,0,0,0|1,0,1]=4 219 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [1,0,1,0,0,0|1,0,1]=4 220 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [1,0,1,0,0,0|1,0,1]=4 221 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [1,0,1,0,0,0|1,0,1]=4 222 B11R1.124 C=C=Cc1c[nH]c(c1)C(=O)N 271570a_100015277604_100000229580 [1,0,1,0,0,0|1,0,1]=4 223 B11R1.124 C=C=Cc1ccc([nH]1)C(=O)C 271570a_100015277604_200010494458 [1,0,1,0,0,0|1,0,1]=4 224 B11R1.124 CC=Cc1c[nH]c(c1)C(=O)N 271570a_100016259895_100000229580 [1,0,1,0,0,0|1,0,1]=4 225 B11R1.124 CC=Cc1ccc([nH]1)C(=O)C 271570a_100016259895_200010494458 [1,0,1,0,0,0|1,0,1]=4 226 B11R1.214 C=CCSc1c[nH]c(c1)C=O 62a_100000210623_100000720742 [1,0,1,0,0,0|1,0,1]=4 227 B11R1.214 C=CCSc1c[nH]c(c1)C=O 62a_100000720742_100000210623 [1,0,1,0,0,0|1,0,1]=4 228 B11R1.214 C=CCSc1ccc([nH]1)C=O 62a_100000210623_100009875417 [1,0,1,0,0,0|1,0,1]=4 229 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [2,0,0,0,0,0|0,0,0]=2 230 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [2,0,0,0,0,0|1,0,0]=3 231 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [2,0,0,0,0,0|1,0,0]=3 232 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [2,0,0,0,0,0|1,0,0]=3 233 B11R2.10 Oc1cn2ccccc2n1 271570a_203496583355_100009819586 [2,0,0,0,0,0|1,0,1]=4 234 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [2,0,0,0,0,0|1,0,0]=3 235 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [2,0,0,0,0,0|1,0,1]=4 236 B13R1.133 C/C(=C\c1ccc(cc1)F)/C(=O)[13CH3] 1458a_100053117043_200025704644 [0,1,1,0,0,0|2,0,0]=4 237 B13R1.133 CC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_200000210301 [0,1,1,0,0,0|2,0,0]=4 238 B13R1.133 CC(=O)C(=O)Nc1ccc(cc1)C 1458a_100000189662_200000210301 [0,1,1,0,0,0|2,0,0]=4 239 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)N 22a_100000124888_100011215815 [0,1,1,0,0,0|2,0,0]=4 240 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)[13CH3] 1458a_100000189662_200025704644 [0,1,1,0,0,0|2,0,0]=4 241 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100011215815 [0,1,1,0,0,0|2,0,0]=4 242 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011215815 [0,1,1,0,0,0|2,0,0]=4 243 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)F 22a_100000185862_100011215815 [0,1,1,0,0,0|2,0,0]=4 244 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)I 22a_100000185761_100011215815 [0,1,1,0,0,0|2,0,0]=4 245 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100011215815 [0,1,1,0,0,0|2,0,0]=4 246 B13R1.135 C/C(=C\c1ccccc1)/C(=O)CF 1458a_100016990649_100015361967 [0,1,1,0,0,0|2,0,0]=4 247 B13R1.135 C=C(CO)C(=O)Nc1ccccc1 22a_100000106764_200000705526 [0,1,1,0,0,0|2,0,0]=4 248 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 11a_106832991635_100000066491 [0,1,1,0,0,0|2,0,0]=4 249 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 1626a_100102657272_100000066491 [0,1,1,0,0,0|2,0,0]=4 250 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210202 [0,1,1,0,0,0|2,0,0]=4 251 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210202 [0,1,1,0,0,0|2,0,0]=4 252 B13R1.135 CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210202 [0,1,1,0,0,0|2,0,0]=4 253 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210202 [0,1,1,0,0,0|2,0,0]=4 254 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 11a_106832991635_100016990649 [0,1,1,0,0,0|2,0,0]=4 255 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 1626a_100102657272_100016990649 [0,1,1,0,0,0|2,0,0]=4 256 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 527a_100102657272_100016990649 [0,1,1,0,0,0|2,0,0]=4 257 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 11a_106832991635_200020598536 [0,1,1,0,0,0|2,0,0]=4 258 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100102657272_200020598536 [0,1,1,0,0,0|2,0,0]=4 259 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100102657272_200020598536 [0,1,1,0,0,0|2,0,0]=4 260 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100102657272_200020598536 [0,1,1,0,0,0|2,0,0]=4 261 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 11a_106832991635_100020889036 [0,1,1,0,0,0|2,0,0]=4 262 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 527a_100102657272_100020889036 [0,1,1,0,0,0|2,0,0]=4 263 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100011218921 [0,1,1,0,0,0|2,0,0]=4 264 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011218921 [0,1,1,0,0,0|2,0,0]=4 265 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 240690a_100102657272_100000738435 [0,1,1,0,0,0|2,0,0]=4 266 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 527a_100000106764_100011218921 [0,1,1,0,0,0|2,0,0]=4 267 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,1,1,0,0,0|1,0,0]=3 268 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,1,1,0,0,0|1,0,0]=3 269 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,1,1,0,0,0|1,0,0]=3 270 B13R1.135 COC(=O)C(C)Nc1ccccc1 34a_100000106764_100000211248 [0,1,1,0,0,0|0,0,2]=4 271 B13R1.135 O=C(CF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100015361967 [0,1,1,0,0,0|2,0,0]=4 272 B13R1.135 O=C(CF)/C(=C\c1ccccc1)/F 1458a_100020889036_100015361967 [0,1,1,0,0,0|2,0,0]=4 273 B13R1.135 O=C(CF)C(=O)Nc1ccccc1 1458a_100000738435_100015361967 [0,1,1,0,0,0|2,0,0]=4 274 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200000210301 [0,1,1,0,0,0|2,0,0]=4 275 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200000210301 [0,1,1,0,0,0|2,0,0]=4 276 B13R1.148 Cc1cccc(c1)NC(=O)C(=O)N 22a_100000188690_100011215815 [0,1,1,0,0,0|2,0,0]=4 277 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)Br 22a_100000210019_100011215815 [0,1,1,0,0,0|2,0,0]=4 278 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100011215815 [0,1,1,0,0,0|2,0,0]=4 279 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)F 22a_100000210047_100011215815 [0,1,1,0,0,0|2,0,0]=4 280 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)I 22a_100000211102_100011215815 [0,1,1,0,0,0|2,0,0]=4 281 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)O 22a_100000210217_100011215815 [0,1,1,0,0,0|2,0,0]=4 282 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200025704644 [0,1,1,0,0,0|2,0,0]=4 283 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200025704644 [0,1,1,0,0,0|2,0,0]=4 284 B13R1.152 CC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_200000210301 [0,1,1,0,0,0|2,0,0]=4 285 B13R1.152 CC(C(=O)O)N(C)c1ccccc1 269956a_100000189636_200000210301 [0,1,1,0,0,0|0,0,2]=4 286 B13R1.152 CC(C(=O)O)N([13CH3])c1ccccc1 269956a_100000189636_200025704644 [0,1,1,0,0,0|0,0,2]=4 287 B13R1.152 CN(C(=O)C(=O)N)c1ccccc1 22a_100000210012_100011215815 [0,1,1,0,0,0|2,0,0]=4 288 B13R1.152 CN(C(=O)C(=O)[13CH3])c1ccccc1 1458a_100011297159_200025704644 [0,1,1,0,0,0|2,0,0]=4 289 B13R1.202 CC(=Cc1ccccc1Cl)C(=O)[13CH3] 1458a_100000693296_200025704644 [0,1,1,0,0,0|2,0,0]=4 290 B13R1.202 CC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_200000210301 [0,1,1,0,0,0|2,0,0]=4 291 B13R1.202 CC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_200000210301 [0,1,1,0,0,0|2,0,0]=4 292 B13R1.202 CC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200000210301 [0,1,1,0,0,0|2,0,0]=4 293 B13R1.202 Cc1ccccc1NC(=O)C(=O)N 22a_100015192222_100011215815 [0,1,1,0,0,0|2,0,0]=4 294 B13R1.202 Cc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297352_200025704644 [0,1,1,0,0,0|2,0,0]=4 295 B13R1.202 NC(=O)C(=O)Nc1ccccc1Cl 22a_100000185783_100011215815 [0,1,1,0,0,0|2,0,0]=4 296 B13R1.202 NC(=O)C(=O)Nc1ccccc1F 22a_100000210422_100011215815 [0,1,1,0,0,0|2,0,0]=4 297 B13R1.202 NC(=O)C(=O)Nc1ccccc1O 22a_100000185747_100011215815 [0,1,1,0,0,0|2,0,0]=4 298 B13R1.202 [13CH3]C(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200025704644 [0,1,1,0,0,0|2,0,0]=4 299 B13R1.418 CC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200000210301 [0,1,1,0,0,0|1,0,1]=4 300 B13R1.418 [13CH3]C(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200025704644 [0,1,1,0,0,0|1,0,1]=4 301 B13R1.2067 C=Cc1cc([nH]c1C#N)C(=O)OC 271570a_100011290941_100011068512 [0,1,1,0,0,0|1,0,1]=4 302 B13R1.2067 C=Cc1cc(sc1C=O)C(=O)OC 271570a_100011290941_100010234932 [0,1,1,0,0,0|2,0,0]=4 303 B13R1.90 C=Cc1ccccc1NCC(=O)N 34a_100012022501_100000187820 [0,1,1,0,0,0|1,0,1]=4 304 B13R1.90 C=Cc1ccccc1NCC(=O)[O-] 34a_100012022501_100020667443 [0,1,1,0,0,0|0,0,2]=4 305 B13R1.90 CC(=O)C=Cc1ccccc1C#N 1458a_100016294624_200000210301 [0,1,1,0,0,0|1,0,1]=4 306 B13R1.90 CC(O)C=Cc1ccccc1CN 271570a_200011019289_100000689332 [0,1,1,0,0,0|1,0,1]=4 307 B13R1.90 CC(O)C=Cc1ccccc1NN 271570a_200011019289_100000241748 [0,1,1,0,0,0|1,0,1]=4 308 B13R1.90 CNc1ccccc1C=CC(C)O 271570a_200011019289_100020606079 [0,1,1,0,0,0|1,0,1]=4 309 B13R1.90 COc1ccccc1C=CC(=O)C 1458a_100000182468_200000210301 [0,1,1,0,0,0|2,0,0]=4 310 B13R1.90 COc1ccccc1C=CC(=O)[13CH3] 1458a_100000182468_200025704644 [0,1,1,0,0,0|2,0,0]=4 311 B13R1.90 [13CH3]C(=O)C=Cc1ccccc1C#N 1458a_100016294624_200025704644 [0,1,1,0,0,0|1,0,1]=4 312 B13R1.150 CC(=O)C=Cc1cccc(c1C)F 1458a_100102526135_200000210301 [0,1,1,0,0,0|2,0,0]=4 313 B13R1.150 CC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_200000210301 [0,1,1,0,0,0|2,0,0]=4 314 B13R1.150 CC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_200000210301 [0,1,1,0,0,0|2,0,0]=4 315 B13R1.150 CC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_200000210301 [0,1,1,0,0,0|2,0,0]=4 316 B13R1.150 CC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_200000210301 [0,1,1,0,0,0|2,0,0]=4 317 B13R1.150 CC(O)C=Cc1cccc(c1N)Br 271570a_200011019289_100010146558 [0,1,1,0,0,0|1,0,1]=4 318 B13R1.150 CC(O)C=Cc1cccc(c1N)Cl 271570a_200011019289_100010190421 [0,1,1,0,0,0|1,0,1]=4 319 B13R1.150 CC(O)C=Cc1cccc(c1N)F 271570a_200011019289_100000042321 [0,1,1,0,0,0|1,0,1]=4 320 B13R1.150 CC(O)C=Cc1cccc(c1N)N 271570a_200011019289_100015191791 [0,1,1,0,0,0|1,0,1]=4 321 B13R1.150 CC(O)C=Cc1cccc(c1N)O 271570a_200011019289_100011934926 [0,1,1,0,0,0|1,0,1]=4 322 B13R1.150 Cc1c(cccc1C=CC(=O)[13CH3])F 1458a_100102526135_200025704644 [0,1,1,0,0,0|2,0,0]=4 323 B13R1.150 Cc1cccc(c1N)C=CC(C)O 271570a_200011019289_100011834072 [0,1,1,0,0,0|1,0,1]=4 324 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_200025704644 [0,1,1,0,0,0|2,0,0]=4 325 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_200025704644 [0,1,1,0,0,0|2,0,0]=4 326 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_200025704644 [0,1,1,0,0,0|2,0,0]=4 327 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)F 1458a_100102526107_200025704644 [0,1,1,0,0,0|2,0,0]=4 328 B13R1.157 CC(C)(O)C=Cc1ccccc1N 271570a_200016258132_100000210017 [0,1,1,0,0,0|1,0,1]=4 329 B13R1.164 CC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_200000210301 [0,1,1,0,0,0|2,0,0]=4 330 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_200000210301 [0,1,1,0,0,0|2,0,0]=4 331 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_200000210301 [0,1,1,0,0,0|2,0,0]=4 332 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_200000210301 [0,1,1,0,0,0|2,0,0]=4 333 B13R1.164 CC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_200000210301 [0,1,1,0,0,0|2,0,0]=4 334 B13R1.164 CC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_200000210301 [0,1,1,0,0,0|2,0,0]=4 335 B13R1.164 CC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_200000210301 [0,1,1,0,0,0|2,0,0]=4 336 B13R1.164 CC(O)C=Cc1ccc(cc1N)Br 271570a_200011019289_100000743836 [0,1,1,0,0,0|1,0,1]=4 337 B13R1.164 CC(O)C=Cc1ccc(cc1N)Cl 271570a_200011019289_100000761886 [0,1,1,0,0,0|1,0,1]=4 338 B13R1.164 CC(O)C=Cc1ccc(cc1N)F 271570a_200011019289_100011218093 [0,1,1,0,0,0|1,0,1]=4 339 B13R1.164 CC(O)C=Cc1ccc(cc1N)N 271570a_200011019289_200012175722 [0,1,1,0,0,0|1,0,1]=4 340 B13R1.164 CC(O)C=Cc1ccc(cc1N)O 271570a_200011019289_100011999798 [0,1,1,0,0,0|1,0,1]=4 341 B13R1.164 Cc1ccc(c(c1)N)C=CC(C)O 271570a_200011019289_100011216686 [0,1,1,0,0,0|1,0,1]=4 342 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_200025704644 [0,1,1,0,0,0|2,0,0]=4 343 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_200025704644 [0,1,1,0,0,0|2,0,0]=4 344 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_200025704644 [0,1,1,0,0,0|2,0,0]=4 345 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_200025704644 [0,1,1,0,0,0|2,0,0]=4 346 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_200025704644 [0,1,1,0,0,0|2,0,0]=4 347 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_200025704644 [0,1,1,0,0,0|2,0,0]=4 348 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_200025704644 [0,1,1,0,0,0|2,0,0]=4 349 B13R1.201 CN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200000210301 [0,1,1,0,0,0|1,0,1]=4 350 B13R1.201 CN(CC(=O)O)c1ccccc1F 269956a_200011202418_200000210301 [0,1,1,0,0,0|1,0,1]=4 351 B13R1.201 Cc1ccccc1N(C)CC(=O)O 269956a_200011202413_200000210301 [0,1,1,0,0,0|0,0,2]=4 352 B13R1.201 Cc1ccccc1N([13CH3])CC(=O)O 269956a_200011202413_200025704644 [0,1,1,0,0,0|0,0,2]=4 353 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200025704644 [0,1,1,0,0,0|1,0,1]=4 354 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1F 269956a_200011202418_200025704644 [0,1,1,0,0,0|1,0,1]=4 355 B13R1.528 CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210202 [0,1,1,0,0,0|2,0,0]=4 356 B13R1.528 CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210202 [0,1,1,0,0,0|2,0,0]=4 357 B13R1.528 CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210202 [0,1,1,0,0,0|2,0,0]=4 358 B13R1.528 CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210202 [0,1,1,0,0,0|2,0,0]=4 359 B13R1.528 CNC(=O)C=Cc1ccccc1Br 11a_106832991635_100000719032 [0,1,1,0,0,0|2,0,0]=4 360 B13R1.528 CNC(=O)C=Cc1ccccc1Br 1626a_100102657272_100000719032 [0,1,1,0,0,0|2,0,0]=4 361 B13R1.528 CNC(=O)C=Cc1ccccc1Br 240690a_100102657272_100000719032 [0,1,1,0,0,0|2,0,0]=4 362 B13R1.528 CNC(=O)C=Cc1ccccc1C 1626a_100102657272_100016266485 [0,1,1,0,0,0|2,0,0]=4 363 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 11a_106832991635_100000720304 [0,1,1,0,0,0|2,0,0]=4 364 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 1626a_100102657272_100000720304 [0,1,1,0,0,0|2,0,0]=4 365 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 240690a_100102657272_100000720304 [0,1,1,0,0,0|2,0,0]=4 366 B13R1.528 CNC(=O)C=Cc1ccccc1F 11a_106832991635_100016256065 [0,1,1,0,0,0|2,0,0]=4 367 B13R1.528 CNC(=O)C=Cc1ccccc1F 1626a_100102657272_100016256065 [0,1,1,0,0,0|2,0,0]=4 368 B13R1.528 CNC(=O)C=Cc1ccccc1F 240690a_100102657272_100016256065 [0,1,1,0,0,0|2,0,0]=4 369 B13R1.528 COC(=O)/C=C/c1ccccc1O 271570a_203496583355_100000151022 [0,1,1,0,0,0|1,0,0]=3 370 B13R1.528 COC(=O)CNc1ccccc1Br 34a_100000210017_100000747449 [0,1,1,0,0,0|1,0,1]=4 371 B13R1.528 COC(=O)CNc1ccccc1C 34a_100015192222_100000747449 [0,1,1,0,0,0|0,0,2]=4 372 B13R1.528 COC(=O)CNc1ccccc1Cl 34a_100000185783_100000747449 [0,1,1,0,0,0|1,0,1]=4 373 B13R1.528 COC(=O)CNc1ccccc1F 34a_100000210422_100000747449 [0,1,1,0,0,0|1,0,1]=4 374 B13R1.528 COC(=O)CNc1ccccc1I 34a_100000210053_100000747449 [0,1,1,0,0,0|1,0,1]=4 375 B13R1.528 COC(=O)CNc1ccccc1O 34a_100000185747_100000747449 [0,1,1,0,0,0|1,0,1]=4 376 B13R1.528 COC(=O)COc1ccccc1N 34a_100000185747_100000747449 [0,1,1,0,0,0|1,0,1]=4 377 B13R1.528 COC(=O)COc1ccccc1N 7a_100000185747_100000747449 [0,1,1,0,0,0|1,0,1]=4 378 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000210017_100000747449 [0,1,1,0,0,0|1,0,1]=4 379 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000747449_100000210017 [0,1,1,0,0,0|1,0,1]=4 380 B13R1.528 Cc1ccccc1NNC(=O)CO 22a_100000184220_100000210174 [0,1,1,0,0,0|1,0,1]=4 381 B13R1.528 O=C(C=Cc1ccccc1Br)CF 1458a_100000719032_100015361967 [0,1,1,0,0,0|2,0,0]=4 382 B13R1.528 O=C(C=Cc1ccccc1Cl)CF 1458a_100000720304_100015361967 [0,1,1,0,0,0|2,0,0]=4 383 B13R1.528 O=C(C=Cc1ccccc1F)CF 1458a_100016256065_100015361967 [0,1,1,0,0,0|2,0,0]=4 384 B13R1.528 O=C(C=Cc1ccccc1O)CF 1458a_100016263591_100015361967 [0,1,1,0,0,0|2,0,0]=4 385 B13R1.528 O=C(CO)NNc1ccccc1Br 22a_100000241748_100000210174 [0,1,1,0,0,0|2,0,0]=4 386 B13R1.528 O=C(CO)NNc1ccccc1Cl 22a_100000683529_100000210174 [0,1,1,0,0,0|2,0,0]=4 387 B13R1.528 O=C(CO)NNc1ccccc1F 22a_100000239246_100000210174 [0,1,1,0,0,0|2,0,0]=4 388 B13R1.528 O=C(CO)NNc1ccccc1I 22a_100011218156_100000210174 [0,1,1,0,0,0|2,0,0]=4 389 B13R1.893 CC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_200000210301 [0,1,1,0,0,0|2,0,0]=4 390 B13R1.893 CC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_200000210301 [0,1,1,0,0,0|2,0,0]=4 391 B13R1.893 CC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_200000210301 [0,1,1,0,0,0|2,0,0]=4 392 B13R1.893 CC(=O)C=Cc1cc(ccc1F)C 1458a_100102526132_200000210301 [0,1,1,0,0,0|2,0,0]=4 393 B13R1.893 CC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_200000210301 [0,1,1,0,0,0|2,0,0]=4 394 B13R1.893 CC(O)C=Cc1cc(ccc1N)Br 271570a_200011019289_100000187925 [0,1,1,0,0,0|1,0,1]=4 395 B13R1.893 CC(O)C=Cc1cc(ccc1N)Cl 271570a_200011019289_100000761889 [0,1,1,0,0,0|1,0,1]=4 396 B13R1.893 CC(O)C=Cc1cc(ccc1N)F 271570a_200011019289_100000760547 [0,1,1,0,0,0|1,0,1]=4 397 B13R1.893 CC(O)C=Cc1cc(ccc1N)N 271570a_200011019289_100011534242 [0,1,1,0,0,0|1,0,1]=4 398 B13R1.893 CC(O)C=Cc1cc(ccc1N)O 271570a_200011019289_100012001276 [0,1,1,0,0,0|1,0,1]=4 399 B13R1.893 Cc1ccc(c(c1)C=CC(=O)[13CH3])F 1458a_100102526132_200025704644 [0,1,1,0,0,0|2,0,0]=4 400 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)N 271570a_200011019289_100000210942 [0,1,1,0,0,0|1,0,1]=4 401 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_200025704644 [0,1,1,0,0,0|2,0,0]=4 402 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_200025704644 [0,1,1,0,0,0|2,0,0]=4 403 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_200025704644 [0,1,1,0,0,0|2,0,0]=4 404 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_200025704644 [0,1,1,0,0,0|2,0,0]=4 405 B13R1.3787 CC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_200000210301 [0,1,1,0,0,0|2,0,0]=4 406 B13R1.3787 CC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_200000210301 [0,1,1,0,0,0|2,0,0]=4 407 B13R1.3787 CC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_200000210301 [0,1,1,0,0,0|2,0,0]=4 408 B13R1.3787 CC(O)C=Cc1c(cccc1Br)N 271570a_200011019289_100020590159 [0,1,1,0,0,0|1,0,1]=4 409 B13R1.3787 CC(O)C=Cc1c(cccc1Cl)N 271570a_200011019289_100000049713 [0,1,1,0,0,0|1,0,1]=4 410 B13R1.3787 CC(O)C=Cc1c(cccc1F)N 271570a_200011019289_100011934729 [0,1,1,0,0,0|1,0,1]=4 411 B13R1.3787 CC(O)C=Cc1c(cccc1O)N 271570a_200011019289_100012183704 [0,1,1,0,0,0|1,0,1]=4 412 B13R1.3787 Cc1cccc(c1C=CC(C)O)N 271570a_200011019289_100000684715 [0,1,1,0,0,0|1,0,1]=4 413 B13R1.3787 [13CH3]C(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_200025704644 [0,1,1,0,0,0|2,0,0]=4 414 B13R1.3787 [13CH3]C(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_200025704644 [0,1,1,0,0,0|2,0,0]=4 415 B13R1.3787 [13CH3]C(=O)C=Cc1c(cccc1F)F 1458a_100000738813_200025704644 [0,1,1,0,0,0|2,0,0]=4 416 B13R1.495 C=CCSc1c[nH]c(c1)C(=O)OC 62a_100000210623_100000205823 [0,1,1,0,0,0|1,0,1]=4 417 B13R1.495 C=CCSc1ccc([nH]1)C(=O)OC 62a_100000210623_100000687774 [0,1,1,0,0,0|1,0,1]=4 418 B13R2.26 C=C=Cc1cc2ccccc2[nH]1 271570a_100015277604_100010232065 [1,1,0,0,0,0|1,0,0]=3 419 B13R2.26 C=C=Cc1cc2ccccc2o1 271570a_100015277604_100010159458 [1,1,0,0,0,0|2,0,0]=4 420 B13R2.26 C=C=Cc1cc2ccccc2s1 271570a_100015277604_100009816949 [1,1,0,0,0,0|2,0,0]=4 421 B13R2.26 C=C=Cc1cc2cccnc2[nH]1 271570a_100015277604_100010079843 [1,1,0,0,0,0|2,0,0]=4 422 B13R2.26 C=C=Cc1nc2ccccc2[nH]1 271570a_100015277604_100009814255 [1,1,0,0,0,0|2,0,0]=4 423 B13R2.26 CC=Cc1cc2ccccc2[nH]1 271570a_100016259895_100010232065 [1,1,0,0,0,0|1,0,0]=3 424 B13R2.26 CC=Cc1cc2ccccc2o1 271570a_100016259895_100010159458 [1,1,0,0,0,0|2,0,0]=4 425 B13R2.26 CC=Cc1cc2ccccc2s1 271570a_100016259895_100009816949 [1,1,0,0,0,0|2,0,0]=4 426 B13R2.26 CC=Cc1cc2cccnc2[nH]1 271570a_100016259895_100010079843 [1,1,0,0,0,0|2,0,0]=4 427 B13R2.26 CC=Cc1nc2ccccc2[nH]1 271570a_100016259895_100009814255 [1,1,0,0,0,0|2,0,0]=4 428 B13R2.26 CCSc1cc2ccccc2[nH]1 62a_100000210202_100010232065 [1,1,0,0,0,0|1,0,1]=4 429 B13R2.26 CNCc1cc2ccccc2[nH]1 270004a_106832991635_100000051030 [1,1,0,0,0,0|1,0,1]=4 430 B13R2.26 COCc1cc2ccccc2o1 34a_100000233474_200000210301 [1,1,0,0,0,0|1,0,1]=4 431 B13R2.26 COCc1cc2ccccc2o1 7a_100000233474_200000210301 [1,1,0,0,0,0|1,0,1]=4 432 B13R2.26 FCSc1cc2ccccc2[nH]1 62a_100015361967_100010232065 [1,1,0,0,0,0|1,0,1]=4 433 B13R2.26 [13CH3]OCc1cc2ccccc2o1 34a_100000233474_200025704644 [1,1,0,0,0,0|1,0,1]=4 434 B13R2.26 [13CH3]OCc1cc2ccccc2o1 7a_100000233474_200025704644 [1,1,0,0,0,0|1,0,1]=4 435 B13R2.43 C=Cc1cc2cc(ccc2[nH]1)Br 271570a_100011290941_100011012855 [1,1,0,0,0,0|1,0,0]=3 436 B13R2.43 C=Cc1cc2cc(ccc2s1)Br 271570a_100011290941_200010198765 [1,1,0,0,0,0|2,0,0]=4 437 B13R2.43 CSc1cc2cc(ccc2[nH]1)Br 62a_100011012855_200000210301 [1,1,0,0,0,0|2,0,0]=4 438 B13R2.43 CSc1cc2cc(ccc2[nH]1)Br 62a_200000210301_100011012855 [1,1,0,0,0,0|2,0,0]=4 439 B13R2.43 N#Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100010261159 [1,1,0,0,0,0|1,0,1]=4 440 B13R2.43 N#Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010739539 [1,1,0,0,0,0|1,0,1]=4 441 B13R2.43 O=Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009820874 [1,1,0,0,0,0|0,0,0]=2 442 B13R2.43 O=Cc1cc2cc(ccc2o1)O 271570a_203496583355_100000755920 [1,1,0,0,0,0|1,0,0]=3 443 B13R2.43 O=Cc1cc2cc(ccc2s1)O 271570a_203496583355_100010238522 [1,1,0,0,0,0|1,0,0]=3 444 B13R2.43 O=Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000736022 [1,1,0,0,0,0|0,0,0]=2 445 B13R2.43 O=Cc1cc2ccc(cc2s1)O 271570a_203496583355_100009814784 [1,1,0,0,0,0|1,0,0]=3 446 B13R2.43 O=Cc1cn2cc(ccc2n1)O 271570a_203496583355_100012351728 [1,1,0,0,0,0|1,0,1]=4 447 B13R2.43 O=Cc1cn2ccc(cc2n1)O 271570a_203496583355_100000731868 [1,1,0,0,0,0|1,0,1]=4 448 B13R2.43 O=Cc1nc2ccc(cc2[nH]1)O 271570a_203496583355_200011361486 [1,1,0,0,0,0|1,0,0]=3 449 B13R2.43 OCc1cc2cc(ccc2o1)O 271570a_203496583355_100011934623 [1,1,0,0,0,0|1,0,1]=4 450 B13R2.43 OCc1cc2cc(ccc2s1)O 271570a_203496583355_100010255381 [1,1,0,0,0,0|1,0,1]=4 451 B13R2.43 OCc1cc2cc(ncc2[nH]1)O 271570a_203496583355_100010549619 [1,1,0,0,0,0|1,0,1]=4 452 B13R2.43 OCc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000735881 [1,1,0,0,0,0|0,0,1]=3 453 B13R2.43 OCc1cc2ccc(cc2s1)O 271570a_203496583355_100010244134 [1,1,0,0,0,0|1,0,1]=4 454 B13R2.43 OCc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100000698547 [1,1,0,0,0,0|1,0,1]=4 455 B13R2.43 [13CH3]Sc1cc2cc(ccc2[nH]1)Br 62a_100011012855_200025704644 [1,1,0,0,0,0|2,0,0]=4 456 B13R2.43 [13CH3]Sc1cc2cc(ccc2[nH]1)Br 62a_200025704644_100011012855 [1,1,0,0,0,0|2,0,0]=4 457 B13R2.45 C=Cc1nc2ccccc2n1C 271570a_100011290941_200000239431 [1,1,0,0,0,0|2,0,0]=4 458 B13R2.45 C=Cc1sc2ccccc2c1C 271570a_100011290941_200010198769 [1,1,0,0,0,0|2,0,0]=4 459 B13R2.45 COc1cc2ccccc2n1C 34a_100000066695_200000210301 [1,1,0,0,0,0|2,0,0]=4 460 B13R2.45 Cn1c(cc2c1cccc2)O[13CH3] 34a_100000066695_200025704644 [1,1,0,0,0,0|2,0,0]=4 461 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [1,1,0,0,0,0|1,0,0]=3 462 B13R2.54 C=Cc1cc2c(ccnc2[nH]1)Cl 271570a_100011290941_100010234028 [1,1,0,0,0,0|2,0,0]=4 463 B13R2.54 C=Cc1cc2cccc(c2[nH]1)Br 271570a_100011290941_100135389745 [1,1,0,0,0,0|1,0,0]=3 464 B13R2.54 CSc1cc2cccc(c2[nH]1)Br 62a_100135389745_200000210301 [1,1,0,0,0,0|2,0,0]=4 465 B13R2.54 CSc1cc2cccc(c2[nH]1)Br 62a_200000210301_100135389745 [1,1,0,0,0,0|2,0,0]=4 466 B13R2.54 N#Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010174851 [1,1,0,0,0,0|1,0,1]=4 467 B13R2.54 O=Cc1cc2c(cccc2s1)O 271570a_203496583355_100010109917 [1,1,0,0,0,0|1,0,0]=3 468 B13R2.54 O=Cc1cc2cccc(c2s1)O 271570a_203496583355_100010110135 [1,1,0,0,0,0|1,0,0]=3 469 B13R2.54 O=Cc1cc2nccc(c2s1)O 271570a_203496583355_100009883415 [1,1,0,0,0,0|2,0,0]=4 470 B13R2.54 O=Cc1cn2c(cccc2n1)O 271570a_203496583355_100010238484 [1,1,0,0,0,0|1,0,1]=4 471 B13R2.54 O=Cc1cn2cccc(c2n1)O 271570a_203496583355_100012360382 [1,1,0,0,0,0|1,0,1]=4 472 B13R2.54 OCc1cc2cccc(c2s1)O 271570a_203496583355_100010255382 [1,1,0,0,0,0|1,0,1]=4 473 B13R2.54 [13CH3]Sc1cc2cccc(c2[nH]1)Br 62a_100135389745_200025704644 [1,1,0,0,0,0|2,0,0]=4 474 B13R2.54 [13CH3]Sc1cc2cccc(c2[nH]1)Br 62a_200025704644_100135389745 [1,1,0,0,0,0|2,0,0]=4 475 B15R2.629 CC(=O)Cc1nc2ccccc2n1C 1458a_100000070787_100000748711 [0,1,0,0,0,1|2,0,0]=4 476 B15R2.629 CC(=O)Cc1sc2ccccc2c1C 1458a_100000035799_200000210301 [0,1,0,0,0,1|2,0,0]=4 477 B15R2.629 CC(=O)Cc1sc2ccccc2c1Cl 1458a_100000070787_100000021718 [0,1,0,0,0,1|2,0,0]=4 478 B15R2.629 Cc1c(sc2c1cccc2)CC(=O)[13CH3] 1458a_100000035799_200025704644 [0,1,0,0,0,1|2,0,0]=4 479 B15R2.1569 C#CC(=O)Cc1nc2ccccc2[nH]1 1458a_100000211873_100000737899 [0,1,0,0,0,1|2,0,0]=4 480 B15R2.1569 C=CC(=O)Cc1nc2ccccc2[nH]1 1458a_100000185746_100000737899 [0,1,0,0,0,1|2,0,0]=4 481 B15R2.1569 CC(CO)Sc1cc2ccccc2[nH]1 62a_100012180447_100010232065 [0,1,0,0,0,1|1,0,1]=4 482 B15R2.1569 CCC(=O)Cc1cc2ccccc2o1 1458a_100000735538_100000210202 [0,1,0,0,0,1|2,0,0]=4 483 B15R2.1569 CCC(=O)Cc1cc2ccccc2s1 1458a_100012001211_100000210202 [0,1,0,0,0,1|2,0,0]=4 484 B15R2.1569 CCC(=O)Cc1nc2ccccc2[nH]1 1458a_100000210414_100000737899 [0,1,0,0,0,1|2,0,0]=4 485 B15R2.1569 CNC(=O)Cc1cc2ccccc2[nH]1 11a_106832991635_100000066551 [0,1,0,0,0,1|1,0,0]=3 486 B15R2.1569 CNC(=O)Cc1cc2ccccc2[nH]1 240690a_100102657272_100000066551 [0,1,0,0,0,1|1,0,0]=3 487 B15R2.1569 CNC(=O)Cc1cc2ccccc2[nH]1 527a_100102657272_100000066551 [0,1,0,0,0,1|1,0,0]=3 488 B15R2.1569 CNC(=O)Cc1cc2ccccc2o1 11a_106832991635_100000735538 [0,1,0,0,0,1|2,0,0]=4 489 B15R2.1569 CNC(=O)Cc1cc2ccccc2o1 240690a_100102657272_100000735538 [0,1,0,0,0,1|2,0,0]=4 490 B15R2.1569 CNC(=O)Cc1cc2ccccc2s1 11a_106832991635_100012001211 [0,1,0,0,0,1|2,0,0]=4 491 B15R2.1569 CNC(=O)Cc1cc2ccccc2s1 1626a_100102657272_100012001211 [0,1,0,0,0,1|2,0,0]=4 492 B15R2.1569 CNC(=O)Cc1cc2ccccc2s1 240690a_100102657272_100012001211 [0,1,0,0,0,1|2,0,0]=4 493 B15R2.1569 CNC(=O)Cc1nc2ccccc2[nH]1 240690a_100102657272_100000188031 [0,1,0,0,0,1|2,0,0]=4 494 B15R2.1569 COC(C)Sc1cc2ccccc2[nH]1 62a_100009879195_100010232065 [0,1,0,0,0,1|1,0,1]=4 495 B15R2.1569 C[C@H](CO)Sc1cc2ccccc2[nH]1 62a_100016084084_100010232065 [0,1,0,0,0,1|1,0,1]=4 496 B15R2.1569 O=C(CF)Cc1cc2ccccc2o1 1458a_100000735538_100015361967 [0,1,0,0,0,1|2,0,0]=4 497 B15R2.1569 O=C(CF)Cc1cc2ccccc2s1 1458a_100012001211_100015361967 [0,1,0,0,0,1|2,0,0]=4 498 B15R2.1569 O=C(CO)Cc1cn2ccccc2n1 1458a_100000210174_100000689847 [0,1,0,0,0,1|1,0,1]=4 499 B15R2.1569 O=C(CO)Cc1nc2ccccc2[nH]1 1458a_100000210174_100000737899 [0,1,0,0,0,1|1,0,0]=3 500 B15R2.1569 O=C(CO)Cc1nc2ccccc2o1 1458a_100000210174_100000195508 [0,1,0,0,0,1|1,0,1]=4 501 B15R2.1569 O=C(CO)Cc1nc2ccccc2s1 1458a_100000210174_100011217541 [0,1,0,0,0,1|1,0,1]=4 502 B15R2.1569 O=C(CO)Cc1nc2cccnc2[nH]1 1458a_100000210174_100011549802 [0,1,0,0,0,1|2,0,0]=4 503 B15R2.4244 CC(=C(C)c1cc2ccccc2[nH]1)C 271570a_200000049429_100010232065 [0,1,0,0,0,1|2,0,0]=4 504 B15R2.7252 CC(=Cc1cc2cc(ccc2[nH]1)Br)C 271570a_100102525489_100011012855 [0,1,0,0,0,1|2,0,0]=4 505 B15R2.7252 CC(=O)Cc1nc2cc(ccc2[nH]1)Br 1458a_100000070787_100000701424 [0,1,0,0,0,1|2,0,0]=4 506 B15R2.7252 CC(=O)Cc1nc2cc(ccc2[nH]1)Cl 1458a_100000070787_100000179801 [0,1,0,0,0,1|2,0,0]=4 507 B15R2.7252 CC(=O)Cc1nc2ccc(cc2[nH]1)C 1458a_100000070787_100020603265 [0,1,0,0,0,1|2,0,0]=4 508 B15R2.7252 CC(=O)Cc1nc2ccc(cc2[nH]1)F 1458a_100000070787_200011347187 [0,1,0,0,0,1|2,0,0]=4 509 B15R2.13461 CC(=Cc1cc2cccc(c2[nH]1)Br)C 271570a_100102525489_100135389745 [0,1,0,0,0,1|2,0,0]=4 510 B15R2.627 C=C(C)c1c[nH]c2ccccc2c1=O 271570a_100000694244_100012339567 [0,1,0,0,0,1|2,0,0]=4 511 B15R2.627 CC(=O)c1ccc2ccccc2c1Br 1458a_100000239384_200000210301 [0,1,0,0,0,1|2,0,0]=4 512 B15R2.627 CC(=O)c1ccc2ccccc2c1O 1458a_100000181341_200000210301 [0,1,0,0,0,1|2,0,0]=4 513 B15R2.627 NC(=O)c1ccc2ccccc2c1O 271570a_203496583355_100011091912 [0,1,0,0,0,1|2,0,0]=4 514 B15R2.627 [13CH3]C(=O)c1ccc2ccccc2c1Br 1458a_100000239384_200025704644 [0,1,0,0,0,1|2,0,0]=4 515 B15R2.627 [13CH3]C(=O)c1ccc2ccccc2c1O 1458a_100000181341_200025704644 [0,1,0,0,0,1|2,0,0]=4 516 B15R2.984 CC(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_200000210301 [0,1,0,0,0,1|2,0,0]=4 517 B15R2.984 CC(=O)c1cc2ccccc2cc1O 1458a_100000212107_200000210301 [0,1,0,0,0,1|2,0,0]=4 518 B15R2.984 CN1Cc2ccccc2CC1C(=O)O 269956a_100000182451_200000210301 [0,1,0,0,0,1|0,0,2]=4 519 B15R2.984 [13CH3]C(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_200025704644 [0,1,0,0,0,1|2,0,0]=4 520 B15R2.984 [13CH3]C(=O)c1cc2ccccc2cc1O 1458a_100000212107_200025704644 [0,1,0,0,0,1|2,0,0]=4 521 B15R2.984 [13CH3]N1Cc2ccccc2CC1C(=O)O 269956a_100000182451_200025704644 [0,1,0,0,0,1|0,0,2]=4 522 B15R2.1601 CCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000210202 [0,1,0,0,0,1|2,0,0]=4 523 B15R2.1601 CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210202 [0,1,0,0,0,1|2,0,0]=4 524 B15R2.1601 CNC(=O)C1=Cc2ccccc2OC1 11a_106832991635_100000018039 [0,1,0,0,0,1|2,0,0]=4 525 B15R2.1601 CNC(=O)C1=Cc2ccccc2OC1 1626a_100102657272_100000018039 [0,1,0,0,0,1|2,0,0]=4 526 B15R2.1601 CNC(=O)C1=Cc2ccccc2OC1 240690a_100102657272_100000018039 [0,1,0,0,0,1|2,0,0]=4 527 B15R2.1601 CNC(=O)C1=Cc2ccccc2OC1 527a_100102657272_100000018039 [0,1,0,0,0,1|2,0,0]=4 528 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 11a_106832991635_100000210637 [0,1,0,0,0,1|2,0,0]=4 529 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 1626a_100102657272_100000210637 [0,1,0,0,0,1|2,0,0]=4 530 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 240690a_100102657272_100000210637 [0,1,0,0,0,1|2,0,0]=4 531 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 527a_100102657272_100000210637 [0,1,0,0,0,1|2,0,0]=4 532 B15R2.1601 O=C(CF)C1=Cc2ccccc2OC1 1458a_100000018039_100015361967 [0,1,0,0,0,1|2,0,0]=4 533 B15R2.1601 O=C(CF)c1ccc2ccccc2c1 1458a_100000210637_100015361967 [0,1,0,0,0,1|2,0,0]=4 534 B15R2.7174 CC(=O)C1=Cc2cc(ccc2OC1)Br 1458a_100000735388_200000210301 [0,1,0,0,0,1|2,0,0]=4 535 B15R2.7174 CC(=O)C1=Cc2cc(ccc2OC1)Cl 1458a_100000020880_200000210301 [0,1,0,0,0,1|2,0,0]=4 536 B15R2.7174 CC(=O)c1ccc2ccc(cc2c1)Br 1458a_200010152650_200000210301 [0,1,0,0,0,1|2,0,0]=4 537 B15R2.7174 [13CH3]C(=O)C1=Cc2cc(ccc2OC1)Br 1458a_100000735388_200025704644 [0,1,0,0,0,1|2,0,0]=4 538 B15R2.7174 [13CH3]C(=O)C1=Cc2cc(ccc2OC1)Cl 1458a_100000020880_200025704644 [0,1,0,0,0,1|2,0,0]=4 539 B15R2.7174 [13CH3]C(=O)c1ccc2ccc(cc2c1)Br 1458a_200010152650_200025704644 [0,1,0,0,0,1|2,0,0]=4 540 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)Br 1458a_100000759775_200000210301 [0,1,0,0,0,1|2,0,0]=4 541 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_200000210301 [0,1,0,0,0,1|2,0,0]=4 542 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)F 1458a_200000042716_200000210301 [0,1,0,0,0,1|2,0,0]=4 543 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)O 271570a_203496583355_100012339427 [0,1,0,0,0,1|2,0,0]=4 544 B15R2.7180 [13CH3]C(=O)c1ccc2cc(ccc2c1)Br 1458a_100000759775_200025704644 [0,1,0,0,0,1|2,0,0]=4 545 B15R2.7180 [13CH3]C(=O)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_200025704644 [0,1,0,0,0,1|2,0,0]=4 546 B15R2.7180 [13CH3]C(=O)c1ccc2cc(ccc2c1)F 1458a_200000042716_200025704644 [0,1,0,0,0,1|2,0,0]=4 547 B15R2.13598 CC(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_200000210301 [0,1,0,0,0,1|2,0,0]=4 548 B15R2.13598 CC(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_200000210301 [0,1,0,0,0,1|2,0,0]=4 549 B15R2.13598 [13CH3]C(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_200025704644 [0,1,0,0,0,1|2,0,0]=4 550 B15R2.13598 [13CH3]C(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_200025704644 [0,1,0,0,0,1|2,0,0]=4 551 B15R2.14951 C=C(C)c1cc(=O)c2ccccc2[nH]1 271570a_100000694244_100000090176 [0,1,0,0,0,1|2,0,0]=4 552 B15R2.1592 CC1=C(Cc2c1cccc2)C(=O)CF 1458a_200000242466_100015361967 [0,2,0,0,0,0|2,0,0]=4 553 B15R2.1592 CCC(=O)C1=C(c2ccccc2C1)C 1458a_200000242466_100000210202 [0,2,0,0,0,0|2,0,0]=4 554 B15R2.1592 CNC(=O)C1=C(c2ccccc2C1)C 11a_106832991635_200000242466 [0,2,0,0,0,0|2,0,0]=4 555 B15R2.1592 CNC(=O)C1=C(c2ccccc2C1)C 1626a_100102657272_200000242466 [0,2,0,0,0,0|2,0,0]=4 556 B15R2.1592 CNC(=O)C1=C(c2ccccc2C1)C 240690a_100102657272_200000242466 [0,2,0,0,0,0|2,0,0]=4 557 B15R2.1592 COC(=O)c1[nH]c2ccccc2c1O 271570a_203496583355_100009828464 [0,2,0,0,0,0|0,0,0]=2 558 B15R2.1592 COC(=O)c1sc2ccccc2c1O 271570a_203496583355_100010271729 [0,2,0,0,0,0|1,0,0]=3 559 B15R2.1592 O=C(CO)C1Cc2ccccc2C1=O 1458a_100000210174_100011218503 [0,2,0,0,0,0|1,0,1]=4 560 B15R2.1356 C#CCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000184674 [0,2,0,0,0,0|2,0,0]=4 561 B15R2.1356 C=CCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210623 [0,2,0,0,0,0|2,0,0]=4 562 B15R2.1356 CCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210303 [0,2,0,0,0,0|2,0,0]=4 563 B15R2.1356 CCNC(=O)C1=Cc2ccccc2C1 11a_100015525214_100009862756 [0,2,0,0,0,0|2,0,0]=4 564 B15R2.1356 CCNC(=O)C1=Cc2ccccc2C1 240690a_100015525214_100009862756 [0,2,0,0,0,0|2,0,0]=4 565 B15R2.1356 CNCC(=O)c1cc2ccccc2s1 2230a_106832991635_100012351422 [0,2,0,0,0,0|2,0,0]=4 566 B15R2.1356 CNCC(=O)c1cc2ccccc2s1 7a_106832991635_100012351422 [0,2,0,0,0,0|2,0,0]=4 567 B15R2.1356 CNNC(=O)C1=Cc2ccccc2C1 22a_100016993582_100009862756 [0,2,0,0,0,0|2,0,0]=4 568 B15R2.1356 CSCC(=O)c1cc2ccccc2o1 62a_200000210301_100000209828 [0,2,0,0,0,0|1,1,0]=4 569 B15R2.1356 CSCC(=O)c1cc2ccccc2s1 62a_100012351422_200000210301 [0,2,0,0,0,0|1,1,0]=4 570 B15R2.1356 N#CCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100011214920 [0,2,0,0,0,0|2,0,0]=4 571 B15R2.1356 O=C(CCF)C1=Cc2ccccc2C1 1458a_100009862756_100011217306 [0,2,0,0,0,0|2,0,0]=4 572 B15R2.1356 O=C(CCO)C1=Cc2ccccc2C1 1458a_100009862756_100000211926 [0,2,0,0,0,0|1,0,0]=3 573 B15R2.1356 [13CH3]SCC(=O)c1cc2ccccc2o1 62a_200025704644_100000209828 [0,2,0,0,0,0|1,1,0]=4 574 B15R2.1356 [13CH3]SCC(=O)c1cc2ccccc2s1 62a_100012351422_200025704644 [0,2,0,0,0,0|1,1,0]=4 575 B15R2.1590 COC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814476 [0,2,0,0,0,0|0,0,0]=2 576 B15R2.1590 COC(=O)c1cc2cc(ccc2s1)O 271570a_203496583355_100009812836 [0,2,0,0,0,0|1,0,0]=3 577 B15R2.1590 COC(=O)c1cc2cc(cnc2[nH]1)O 271570a_203496583355_100010113459 [0,2,0,0,0,0|1,0,0]=3 578 B15R2.1590 COC(=O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000246269 [0,2,0,0,0,0|0,0,0]=2 579 B15R2.1590 COC(=O)c1cc2ccc(cc2o1)O 271570a_203496583355_100010365216 [0,2,0,0,0,0|1,0,0]=3 580 B15R2.1590 COC(=O)c1cc2ccc(cc2s1)O 271570a_203496583355_100010178015 [0,2,0,0,0,0|1,0,0]=3 581 B15R2.1590 COC(=O)c1cn2cc(ccc2n1)O 271570a_203496583355_100010000526 [0,2,0,0,0,0|1,0,1]=4 582 B15R2.1590 COC(=O)c1nc2ccc(cc2[nH]1)O 271570a_203496583355_100012351599 [0,2,0,0,0,0|1,0,0]=3 583 B15R2.1590 COC(=O)c1nc2ccc(cc2o1)O 271570a_203496583355_100010209328 [0,2,0,0,0,0|1,0,1]=4 584 B15R2.1590 COC(=O)c1nc2ccc(cc2s1)O 271570a_203496583355_200010167800 [0,2,0,0,0,0|1,0,1]=4 585 B15R2.1590 NNC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814497 [0,2,0,0,0,0|1,0,0]=3 586 B15R2.1590 NNC(=O)c1cc2ccc(cc2s1)O 271570a_203496583355_100010243249 [0,2,0,0,0,0|2,0,0]=4 587 B15R2.1598 COC(=O)c1cc-2c(cc[nH]c2n1)O 271570a_203496583355_100009832017 [0,2,0,0,0,0|1,0,1]=4 588 B15R2.1598 COC(=O)c1cc2c(cccc2[nH]1)O 271570a_203496583355_100000736879 [0,2,0,0,0,0|0,0,0]=2 589 B15R2.1598 COC(=O)c1cc2c(cccc2s1)O 271570a_203496583355_100010178017 [0,2,0,0,0,0|1,0,0]=3 590 B15R2.1598 COC(=O)c1cc2c(cncc2s1)O 271570a_203496583355_100000725376 [0,2,0,0,0,0|2,0,0]=4 591 B15R2.1598 COC(=O)c1cc2cccc(c2[nH]1)O 271570a_203496583355_100010236140 [0,2,0,0,0,0|0,0,0]=2 592 B15R2.1598 COC(=O)c1cc2cccc(c2s1)O 271570a_203496583355_100010199691 [0,2,0,0,0,0|1,0,0]=3 593 B15R2.1598 COC(=O)c1cn2c(cccc2n1)O 271570a_203496583355_100010235564 [0,2,0,0,0,0|1,0,1]=4 594 B15R2.1598 NNC(=O)c1cc2c(cccc2s1)O 271570a_203496583355_100010255373 [0,2,0,0,0,0|2,0,0]=4 595 B15R2.1598 NNC(=O)c1cc2cccc(c2s1)O 271570a_203496583355_100010255376 [0,2,0,0,0,0|2,0,0]=4 596 B15R2.4834 C=Cc1ccc2[nH]c(cc2c1)C(=O)N 271570a_100011290941_100009814496 [0,2,0,0,0,0|1,0,0]=3 597 B15R2.4834 C=Cc1ccc2cc([nH]c2c1)B(O)O 271570a_100011290941_200010246288 [0,2,0,0,0,0|1,0,1]=4 598 B15R2.4834 C=Cc1ccc2cc([nH]c2c1)C(=O)N 271570a_100011290941_100009814495 [0,2,0,0,0,0|1,0,0]=3 599 B15R2.4834 C=Cc1ccc2nc([nH]c2c1)C(=O)C 271570a_100011290941_200011795181 [0,2,0,0,0,0|2,0,0]=4 600 B15R2.4834 C=Cc1ccc2oc(cc2c1)C(=O)C 271570a_100011290941_100000181247 [0,2,0,0,0,0|2,0,0]=4 601 B15R2.4834 C=Cc1ccc2oc(cc2c1)C(=O)N 271570a_100011290941_100000185017 [0,2,0,0,0,0|2,0,0]=4 602 B15R2.4834 CC(=O)c1cc2cc(ccc2o1)S[13CH3] 62a_200025704644_100000181247 [0,2,0,0,0,0|2,0,0]=4 603 B15R2.4834 CSc1ccc2[nH]c(cc2c1)C(=O)N 62a_200000210301_100009814496 [0,2,0,0,0,0|1,0,0]=3 604 B15R2.4834 CSc1ccc2cc([nH]c2c1)B(O)O 62a_200000210301_200010246288 [0,2,0,0,0,0|1,0,1]=4 605 B15R2.4834 CSc1ccc2cc([nH]c2c1)C(=O)N 62a_200000210301_100009814495 [0,2,0,0,0,0|1,0,0]=3 606 B15R2.4834 CSc1ccc2oc(cc2c1)C(=O)C 62a_200000210301_100000181247 [0,2,0,0,0,0|2,0,0]=4 607 B15R2.4834 CSc1ccc2oc(cc2c1)C(=O)N 62a_200000210301_100000185017 [0,2,0,0,0,0|2,0,0]=4 608 B15R2.4834 [13CH3]Sc1ccc2[nH]c(cc2c1)C(=O)N 62a_200025704644_100009814496 [0,2,0,0,0,0|1,0,0]=3 609 B15R2.4834 [13CH3]Sc1ccc2cc([nH]c2c1)B(O)O 62a_200025704644_200010246288 [0,2,0,0,0,0|1,0,1]=4 610 B15R2.4834 [13CH3]Sc1ccc2cc([nH]c2c1)C(=O)N 62a_200025704644_100009814495 [0,2,0,0,0,0|1,0,0]=3 611 B15R2.4834 [13CH3]Sc1ccc2oc(cc2c1)C(=O)N 62a_200025704644_100000185017 [0,2,0,0,0,0|2,0,0]=4 612 B15R2.20824 C=Cc1cccc2c1oc(c2)C(=O)C 271570a_100011290941_100011280056 [0,2,0,0,0,0|2,0,0]=4 613 B15R2.20824 C=Cc1cccc2c1sc(c2)C(=O)N 271570a_100011290941_100020879177 [0,2,0,0,0,0|2,0,0]=4 614 B15R2.20824 CC(=O)c1cc2cccc(c2o1)O[13CH3] 34a_100000036376_200025704644 [0,2,0,0,0,0|2,0,0]=4 615 B15R2.20824 CC(=O)c1cc2cccc(c2o1)O[13CH3] 7a_100000036376_200025704644 [0,2,0,0,0,0|2,0,0]=4 616 B15R2.20824 CC(=O)c1cc2cccc(c2o1)S[13CH3] 62a_200025704644_100011280056 [0,2,0,0,0,0|2,0,0]=4 617 B15R2.20824 COc1cccc2c1oc(c2)C(=O)C 34a_100000036376_200000210301 [0,2,0,0,0,0|2,0,0]=4 618 B15R2.20824 COc1cccc2c1oc(c2)C(=O)C 7a_100000036376_200000210301 [0,2,0,0,0,0|2,0,0]=4 619 B15R2.20824 CSc1cccc2c1oc(c2)C(=O)C 62a_200000210301_100011280056 [0,2,0,0,0,0|2,0,0]=4 620 B15R2.20824 CSc1cccc2c1sc(c2)C(=O)N 62a_100020879177_200000210301 [0,2,0,0,0,0|2,0,0]=4 621 B15R2.20824 [13CH3]Sc1cccc2c1sc(c2)C(=O)N 62a_100020879177_200025704644 [0,2,0,0,0,0|2,0,0]=4 622 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [0,0,1,1,0,0|2,0,0]=4 623 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [0,0,1,1,0,0|1,0,0]=3 624 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [0,0,1,1,0,0|2,0,0]=4 625 B13R2.369 Nc1nc2ccccc2nc1O 271570a_203496583355_100000009970 [0,0,1,1,0,0|2,0,0]=4 626 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,0,1,1,0,0|1,0,0]=3 627 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [0,0,1,1,0,0|2,0,0]=4 628 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [0,0,1,1,0,0|2,0,0]=4 629 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [0,0,1,1,0,0|2,0,0]=4 630 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [0,0,1,1,0,0|2,0,0]=4 631 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [0,0,1,1,0,0|2,0,0]=4 632 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [0,0,1,1,0,0|2,0,0]=4 633 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [0,0,1,1,0,0|1,0,0]=3 634 B13R2.5179 Nc1cccc2c1ncc(c2)O 271570a_203496583355_100000702407 [0,0,1,1,0,0|2,0,0]=4 635 B13R2.5179 Nc1ccnc2c1ccc(c2)O 271570a_203496583355_200009816820 [0,0,1,1,0,0|2,0,0]=4 636 B13R2.5179 Nc1nccc2c1ccc(c2)O 271570a_203496583355_100000732483 [0,0,1,1,0,0|2,0,0]=4 637 B13R2.5179 O=c1ccc2c(cccc2[nH]1)O 271570a_203496583355_100000726145 [0,0,1,1,0,0|2,0,0]=4 638 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [0,0,1,1,0,0|2,0,0]=4 639 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,0,1,0,1,0|1,0,0]=3 640 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,0,1,0,1,0|1,0,0]=3 641 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [0,0,1,0,1,0|2,0,0]=4 642 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,0,1,0,1,0|2,0,0]=4 643 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,0,1,0,1,0|2,0,0]=4 644 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,0,1,0,1,0|1,0,1]=4 645 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,0,1,0,1,0|1,0,1]=4 646 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,0,1,0,1,0|1,0,1]=4 647 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,0,1,0,1,0|1,0,1]=4 648 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,0,1,0,1,0|2,0,0]=4 649 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,0,1,0,1,0|2,0,0]=4 650 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,0,1,0,1,0|2,0,0]=4 651 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,0,1,0,1,0|2,0,0]=4 652 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,0,1,0,1,0|2,0,0]=4 653 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,0,1,0,1,0|2,0,0]=4 654 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,0,1,0,1,0|2,0,0]=4 655 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,0,1,0,1,0|2,0,0]=4 656 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,0,1,0,1,0|2,0,0]=4 657 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,0,1,0,1,0|2,0,0]=4 658 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,0,1,0,1,0|2,0,0]=4 659 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,0,1,0,1,0|2,0,0]=4 660 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,0,1,0,1,0|2,0,0]=4 661 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,0,1,0,1,0|2,0,0]=4 662 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 1458a_100000070787_100000182850 [0,0,1,0,0,1|2,0,0]=4 663 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100134613110 [0,0,1,0,0,1|2,0,0]=4 664 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 527a_100000106764_100134613110 [0,0,1,0,0,1|2,0,0]=4 665 B13R1.351 CC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011261029 [0,0,1,0,0,1|2,0,0]=4 666 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,0,1,0,0,1|0,0,2]=4 667 B13R1.351 NC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100011215815 [0,0,1,0,0,1|2,0,0]=4 668 B13R1.351 NC(=O)C(=O)NNc1ccccc1 22a_100015195140_100011215815 [0,0,1,0,0,1|2,0,0]=4 669 B13R1.158 Cc1ccccc1CNCC(=O)O 269956a_100016091260_100000211750 [0,0,1,0,0,1|0,0,2]=4 670 B13R1.158 O=C(O)CNCc1ccccc1Br 269956a_100016091260_100000184730 [0,0,1,0,0,1|1,0,1]=4 671 B13R1.158 O=C(O)CNCc1ccccc1Cl 269956a_100016091260_100000187162 [0,0,1,0,0,1|1,0,1]=4 672 B13R1.158 O=C(O)CNCc1ccccc1F 269956a_100016091260_100000187165 [0,0,1,0,0,1|1,0,1]=4 673 B13R1.158 O=C(O)CNCc1ccccc1I 269956a_100016091260_100011216222 [0,0,1,0,0,1|1,0,1]=4 674 B13R2.57 C=Cc1cc2ccccc2cn1 271570a_100011290941_100000047361 [1,0,0,0,0,1|1,0,1]=4 675 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [1,0,0,0,0,1|2,0,0]=4 676 B13R2.57 C=Cc1ccc2ccccc2n1 271570a_100011290941_100011291633 [1,0,0,0,0,1|1,0,1]=4 677 B13R2.57 C=Cc1cnc2ccccc2c1 271570a_100011290941_100000737414 [1,0,0,0,0,1|1,0,1]=4 678 B13R2.57 C=Cc1cnc2ccccc2n1 271570a_100011290941_100000756483 [1,0,0,0,0,1|1,0,1]=4 679 B13R2.57 C=Cc1ncc2ccccc2n1 271570a_100011290941_100000097389 [1,0,0,0,0,1|1,0,1]=4 680 B15R2.1660 C=C(C)CSc1cc2ccccc2[nH]1 62a_100000748629_100010232065 [0,0,0,0,0,2|2,0,0]=4 681 B15R2.1660 C=C(F)CSc1cc2ccccc2[nH]1 62a_100000042424_100010232065 [0,0,0,0,0,2|2,0,0]=4 682 B15R2.1660 CC(=O)CCc1cc2ccccc2s1 1458a_200000069995_200000210301 [0,0,0,0,0,2|2,0,0]=4 683 B15R2.1660 CC(=O)CCc1nc2ccccc2[nH]1 1458a_100102526157_200000210301 [0,0,0,0,0,2|2,0,0]=4 684 B15R2.1660 CC(=O)CSc1nc2ccccc2[nH]1 1458a_100000179484_200000210301 [0,0,0,0,0,2|2,0,0]=4 685 B15R2.1660 CC(=O)NCc1cc2ccccc2[nH]1 11a_100015204011_100015343762 [0,0,0,0,0,2|1,0,0]=3 686 B15R2.1660 CC(=O)NCc1cc2ccccc2[nH]1 240690a_100015204011_100015343762 [0,0,0,0,0,2|1,0,0]=3 687 B15R2.1660 CC(=O)NCc1cc2ccccc2[nH]1 527a_100015204011_100103153847 [0,0,0,0,0,2|1,0,0]=3 688 B15R2.1660 CC(=O)NCc1cc2ccccc2o1 11a_100011220112_100015343762 [0,0,0,0,0,2|2,0,0]=4 689 B15R2.1660 CC(=O)NCc1cc2ccccc2o1 1626a_100011220112_100015343762 [0,0,0,0,0,2|2,0,0]=4 690 B15R2.1660 CC(=O)NCc1cc2ccccc2o1 240690a_100011220112_100015343762 [0,0,0,0,0,2|2,0,0]=4 691 B15R2.1660 CC(=O)NCc1cc2ccccc2o1 527a_100011220112_100103153847 [0,0,0,0,0,2|2,0,0]=4 692 B15R2.1660 CC(=O)NCc1cc2ccccc2s1 1626a_100015187092_100015343762 [0,0,0,0,0,2|2,0,0]=4 693 B15R2.1660 CC(=O)NCc1cc2ccccc2s1 240690a_100015187092_100015343762 [0,0,0,0,0,2|2,0,0]=4 694 B15R2.1660 CC(=O)NCc1cc2ccccc2s1 527a_100015187092_100103153847 [0,0,0,0,0,2|2,0,0]=4 695 B15R2.1660 CC(=O)NCc1cc2ccncc2[nH]1 11a_100025703164_100015343762 [0,0,0,0,0,2|2,0,0]=4 696 B15R2.1660 CC(=O)NCc1cc2ccncc2[nH]1 240690a_100025703164_100015343762 [0,0,0,0,0,2|2,0,0]=4 697 B15R2.1660 CC(=O)NCc1cc2ccncc2[nH]1 527a_100025703164_100103153847 [0,0,0,0,0,2|2,0,0]=4 698 B15R2.1660 CC(=O)NCc1cc2cnccc2[nH]1 240690a_100025703177_100015343762 [0,0,0,0,0,2|2,0,0]=4 699 B15R2.1660 CC(=O)NCc1cc2cnccc2[nH]1 527a_100025703177_100103153847 [0,0,0,0,0,2|2,0,0]=4 700 B15R2.1660 CC(=O)NCc1nc2ccccc2[nH]1 240690a_100000729406_100015343762 [0,0,0,0,0,2|2,0,0]=4 701 B15R2.1660 CC(=O)NCc1nc2ccccc2[nH]1 527a_100000729406_100103153847 [0,0,0,0,0,2|2,0,0]=4 702 B15R2.1660 CC(=O)NNc1nc2ccccc2[nH]1 22a_100000188875_100000070787 [0,0,0,0,0,2|2,0,0]=4 703 B15R2.1660 CC(O)C=Cc1cc2ccccc2[nH]1 271570a_200011019289_100010232065 [0,0,0,0,0,2|1,0,1]=4 704 B15R2.1660 CC(O)CSc1cc2ccccc2[nH]1 62a_100011218427_100010232065 [0,0,0,0,0,2|1,0,1]=4 705 B15R2.1660 C[C@@H](O)CSc1cc2ccccc2[nH]1 62a_100009817552_100010232065 [0,0,0,0,0,2|1,0,1]=4 706 B15R2.1660 NC(=O)CSc1cc2ccccc2[nH]1 62a_100000747473_100010232065 [0,0,0,0,0,2|1,0,0]=3 707 B15R2.1660 NC(=O)CSc1cc2ccccc2o1 62a_100000747473_100010159458 [0,0,0,0,0,2|2,0,0]=4 708 B15R2.1660 NC(=O)CSc1cc2ccccc2s1 62a_100000747473_100009816949 [0,0,0,0,0,2|2,0,0]=4 709 B15R2.1660 NC(=O)CSc1cc2cccnc2[nH]1 62a_100000747473_100010079843 [0,0,0,0,0,2|2,0,0]=4 710 B15R2.1660 NC(=O)CSc1nc2ccccc2[nH]1 62a_100000747473_100009814255 [0,0,0,0,0,2|2,0,0]=4 711 B15R2.1660 O=C([O-])CSc1cc2ccccc2[nH]1 62a_100020667443_100010232065 [0,0,0,0,0,2|0,0,1]=3 712 B15R2.1660 O=C([O-])CSc1cc2ccccc2o1 62a_100020667443_100010159458 [0,0,0,0,0,2|1,0,1]=4 713 B15R2.1660 O=C([O-])CSc1cc2ccccc2s1 62a_100020667443_100009816949 [0,0,0,0,0,2|1,0,1]=4 714 B15R2.1660 O=C([O-])CSc1cc2cccnc2[nH]1 62a_100020667443_100010079843 [0,0,0,0,0,2|1,0,1]=4 715 B15R2.1660 O=C([O-])CSc1nc2ccccc2[nH]1 62a_100020667443_100009814255 [0,0,0,0,0,2|1,0,1]=4 716 B15R2.1660 [13CH3]C(=O)CCc1cc2ccccc2s1 1458a_200000069995_200025704644 [0,0,0,0,0,2|2,0,0]=4 717 B15R2.1660 [13CH3]C(=O)CCc1nc2ccccc2[nH]1 1458a_100102526157_200025704644 [0,0,0,0,0,2|2,0,0]=4 718 B15R2.1660 [13CH3]C(=O)CSc1nc2ccccc2[nH]1 1458a_100000179484_200025704644 [0,0,0,0,0,2|2,0,0]=4 719 B15R2.1668 CC(=O)Cc1cc2ccccc2cn1 1458a_100000070787_100009869231 [0,0,0,0,0,2|1,0,1]=4 720 B15R2.1668 CC(=O)Cc1ccc2ccccc2c1 1458a_100000070787_100011216711 [0,0,0,0,0,2|2,0,0]=4 721 B15R2.1668 CC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_200000210301 [0,0,0,0,0,2|2,0,0]=4 722 B15R2.1668 CC(=O)Cc1ccc2ccccc2n1 1458a_100000070787_100000737579 [0,0,0,0,0,2|1,0,1]=4 723 B15R2.1668 CC(=O)Cc1cnc2ccccc2n1 1458a_100000070787_200000751123 [0,0,0,0,0,2|1,0,1]=4 724 B15R2.1668 CC(=O)Cc1ncc2ccccc2n1 1458a_100000070787_100009868571 [0,0,0,0,0,2|1,0,1]=4 725 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100015343762 [0,0,0,0,0,2|2,0,0]=4 726 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100015343762 [0,0,0,0,0,2|2,0,0]=4 727 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000070787 [0,0,0,0,0,2|2,0,0]=4 728 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100103153847 [0,0,0,0,0,2|2,0,0]=4 729 B15R2.1668 [13CH3]C(=O)Cc1ccc2ccccc2c1 1458a_100000181716_200025704644 [0,0,0,0,0,2|2,0,0]=4 730 B15R2.1237 CC(=O)C1=Cc2ccccc2OC=C1 1458a_200000089061_200000210301 [0,0,0,0,0,2|2,0,0]=4 731 B15R2.1237 [13CH3]C(=O)C1=Cc2ccccc2OC=C1 1458a_200000089061_200025704644 [0,0,0,0,0,2|2,0,0]=4