0 B14R1.3653 C=C(C)CNc1ccc(c(c1)O)OC 34a_100000211920_100000748629 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.3653 C=C(C)CSc1ccc(c(c1)O)OC 62a_100000748629_100009816560 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.3653 C=C(F)CNc1ccc(c(c1)O)OC 34a_100000211920_100009893438 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.3653 C=C(F)CSc1ccc(c(c1)O)OC 62a_100000042424_100009816560 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.3653 CC(O)C=Cc1ccc(c(c1)O)C#N 271570a_200011019289_100011934713 [0,0,0,0,0,0|3,0,1]=4 5 B14R1.3653 CC(O)C=Cc1ccc(c(c1)O)C=O 271570a_200011019289_100011277552 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.3653 CC(O)C=Cc1ccc(c(c1)O)CO 271570a_200011019289_100000071718 [0,0,0,0,0,0|3,0,1]=4 7 B14R1.3653 CCc1ccc(cc1F)C=CC(C)O 271570a_200011019289_200010071577 [0,0,0,0,0,0|3,0,1]=4 8 B14R1.3653 CCc1ccc(cc1N)C=CC(C)O 271570a_200011019289_100012354963 [0,0,0,0,0,0|3,0,1]=4 9 B14R1.3653 CNc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100000221803 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.3653 CNc1ccc(cc1F)C=CC(C)O 271570a_200011019289_100000743884 [0,0,0,0,0,0|3,0,1]=4 11 B14R1.3653 CNc1ccc(cc1N)C=CC(C)O 271570a_200011019289_100000741790 [0,0,0,0,0,0|3,0,1]=4 12 B14R1.3653 COc1ccc(cc1Br)C=CC(=O)C 1458a_200000186738_200000210301 [0,0,0,0,0,0|2,0,0]=2 13 B14R1.3653 COc1ccc(cc1Br)C=CC(=O)[13CH3] 1458a_200000186738_200025704644 [0,0,0,0,0,0|2,0,0]=2 14 B14R1.3653 COc1ccc(cc1Br)C=CC(C)C 271570a_100016257149_100011249507 [0,0,0,0,0,0|3,0,1]=4 15 B14R1.3653 COc1ccc(cc1Br)C=CC(C)O 271570a_200011019289_100011249507 [0,0,0,0,0,0|2,0,1]=3 16 B14R1.3653 COc1ccc(cc1Br)CCC(=O)C 1458a_100000736731_200000210301 [0,0,0,0,0,0|2,0,2]=4 17 B14R1.3653 COc1ccc(cc1Br)CCC(=O)[13CH3] 1458a_100000736731_200025704644 [0,0,0,0,0,0|2,0,2]=4 18 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 11a_100159240714_100015343762 [0,0,0,0,0,0|3,0,1]=4 19 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 1626a_100159240714_100015343762 [0,0,0,0,0,0|3,0,1]=4 20 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 240690a_100159240714_100015343762 [0,0,0,0,0,0|3,0,1]=4 21 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 527a_100159240714_100103153847 [0,0,0,0,0,0|3,0,1]=4 22 B14R1.3653 COc1ccc(cc1Br)NCC(=O)N 34a_100000187427_100000187820 [0,0,0,0,0,0|3,0,1]=4 23 B14R1.3653 COc1ccc(cc1Br)NCC(=O)[O-] 34a_100000187427_100020667443 [0,0,0,0,0,0|2,0,2]=4 24 B14R1.3653 COc1ccc(cc1Br)OCC(=O)N 34a_100010234764_100000187820 [0,0,0,0,0,0|3,0,1]=4 25 B14R1.3653 COc1ccc(cc1Br)OCC(=O)N 7a_100010234764_100000187820 [0,0,0,0,0,0|3,0,1]=4 26 B14R1.3653 COc1ccc(cc1Br)OCC(=O)[O-] 34a_100010234764_100020667443 [0,0,0,0,0,0|2,0,2]=4 27 B14R1.3653 COc1ccc(cc1Br)SCC(=O)N 62a_100000747473_100011249507 [0,0,0,0,0,0|3,0,1]=4 28 B14R1.3653 COc1ccc(cc1Br)SCC(=O)N 62a_100011249507_100000747473 [0,0,0,0,0,0|3,0,1]=4 29 B14R1.3653 COc1ccc(cc1Br)SCC(=O)[O-] 62a_100011249507_100020667443 [0,0,0,0,0,0|2,0,2]=4 30 B14R1.3653 COc1ccc(cc1Br)SCC(=O)[O-] 62a_100020667443_100011249507 [0,0,0,0,0,0|2,0,2]=4 31 B14R1.3653 COc1ccc(cc1C)C=CC(=O)C 1458a_100116352456_200000210301 [0,0,0,0,0,0|2,0,0]=2 32 B14R1.3653 COc1ccc(cc1C)C=CC(=O)[13CH3] 1458a_100116352456_200025704644 [0,0,0,0,0,0|2,0,0]=2 33 B14R1.3653 COc1ccc(cc1C)C=CC(C)C 271570a_100016257149_100011219705 [0,0,0,0,0,0|3,0,1]=4 34 B14R1.3653 COc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100011219705 [0,0,0,0,0,0|2,0,1]=3 35 B14R1.3653 COc1ccc(cc1C)CCC(=O)C 1458a_100011616661_200000210301 [0,0,0,0,0,0|2,0,2]=4 36 B14R1.3653 COc1ccc(cc1C)CCC(=O)[13CH3] 1458a_100011616661_200025704644 [0,0,0,0,0,0|2,0,2]=4 37 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 11a_100102679029_100015343762 [0,0,0,0,0,0|3,0,1]=4 38 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 1626a_100102679029_100015343762 [0,0,0,0,0,0|3,0,1]=4 39 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 240690a_100102679029_100015343762 [0,0,0,0,0,0|3,0,1]=4 40 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 527a_100102679029_100103153847 [0,0,0,0,0,0|3,0,1]=4 41 B14R1.3653 COc1ccc(cc1C)NCC(=O)N 2230a_100000743268_100000747473 [0,0,0,0,0,0|3,0,1]=4 42 B14R1.3653 COc1ccc(cc1C)NCC(=O)N 34a_100000743268_100000187820 [0,0,0,0,0,0|3,0,1]=4 43 B14R1.3653 COc1ccc(cc1C)NCC(=O)N 7a_100000743268_100000187820 [0,0,0,0,0,0|3,0,1]=4 44 B14R1.3653 COc1ccc(cc1C)NCC(=O)[O-] 34a_100000743268_100020667443 [0,0,0,0,0,0|2,0,2]=4 45 B14R1.3653 COc1ccc(cc1C)OCC(=O)N 34a_100000759738_100000187820 [0,0,0,0,0,0|3,0,1]=4 46 B14R1.3653 COc1ccc(cc1C)OCC(=O)N 7a_100000759738_100000187820 [0,0,0,0,0,0|3,0,1]=4 47 B14R1.3653 COc1ccc(cc1C)OCC(=O)[O-] 34a_100000759738_100020667443 [0,0,0,0,0,0|2,0,2]=4 48 B14R1.3653 COc1ccc(cc1C)SCC(=O)N 62a_100000747473_100011219705 [0,0,0,0,0,0|3,0,1]=4 49 B14R1.3653 COc1ccc(cc1C)SCC(=O)N 62a_100011219705_100000747473 [0,0,0,0,0,0|3,0,1]=4 50 B14R1.3653 COc1ccc(cc1C)SCC(=O)[O-] 62a_100011219705_100020667443 [0,0,0,0,0,0|2,0,2]=4 51 B14R1.3653 COc1ccc(cc1C)SCC(=O)[O-] 62a_100020667443_100011219705 [0,0,0,0,0,0|2,0,2]=4 52 B14R1.3653 COc1ccc(cc1Cl)C=CC(=O)C 1458a_100000735007_200000210301 [0,0,0,0,0,0|2,0,0]=2 53 B14R1.3653 COc1ccc(cc1Cl)C=CC(=O)[13CH3] 1458a_100000735007_200025704644 [0,0,0,0,0,0|2,0,0]=2 54 B14R1.3653 COc1ccc(cc1Cl)C=CC(C)C 271570a_100016257149_100012355395 [0,0,0,0,0,0|3,0,1]=4 55 B14R1.3653 COc1ccc(cc1Cl)C=CC(C)O 271570a_200011019289_100012355395 [0,0,0,0,0,0|2,0,1]=3 56 B14R1.3653 COc1ccc(cc1Cl)CCC(=O)C 1458a_100000735577_200000210301 [0,0,0,0,0,0|2,0,2]=4 57 B14R1.3653 COc1ccc(cc1Cl)CCC(=O)[13CH3] 1458a_100000735577_200025704644 [0,0,0,0,0,0|2,0,2]=4 58 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 11a_100000008799_100015343762 [0,0,0,0,0,0|3,0,1]=4 59 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 1626a_100000008799_100015343762 [0,0,0,0,0,0|3,0,1]=4 60 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 240690a_100000008799_100015343762 [0,0,0,0,0,0|3,0,1]=4 61 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 527a_100000008799_100103153847 [0,0,0,0,0,0|3,0,1]=4 62 B14R1.3653 COc1ccc(cc1Cl)NCC(=O)N 2230a_100000211044_100000747473 [0,0,0,0,0,0|3,0,1]=4 63 B14R1.3653 COc1ccc(cc1Cl)NCC(=O)N 34a_100000211044_100000187820 [0,0,0,0,0,0|3,0,1]=4 64 B14R1.3653 COc1ccc(cc1Cl)NCC(=O)[O-] 34a_100000211044_100020667443 [0,0,0,0,0,0|2,0,2]=4 65 B14R1.3653 COc1ccc(cc1Cl)NNC(=O)C 22a_100000699481_100000070787 [0,0,0,0,0,0|4,0,0]=4 66 B14R1.3653 COc1ccc(cc1Cl)OCC(=O)N 34a_200009861682_100000187820 [0,0,0,0,0,0|3,0,1]=4 67 B14R1.3653 COc1ccc(cc1Cl)OCC(=O)N 7a_200009861682_100000187820 [0,0,0,0,0,0|3,0,1]=4 68 B14R1.3653 COc1ccc(cc1Cl)OCC(=O)[O-] 34a_200009861682_100020667443 [0,0,0,0,0,0|2,0,2]=4 69 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)N 62a_100000747473_100012355395 [0,0,0,0,0,0|3,0,1]=4 70 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)N 62a_100012355395_100000747473 [0,0,0,0,0,0|3,0,1]=4 71 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)[O-] 62a_100012355395_100020667443 [0,0,0,0,0,0|2,0,2]=4 72 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)[O-] 62a_100020667443_100012355395 [0,0,0,0,0,0|2,0,2]=4 73 B14R1.3653 COc1ccc(cc1F)C=CC(=O)C 1458a_100102526129_200000210301 [0,0,0,0,0,0|2,0,0]=2 74 B14R1.3653 COc1ccc(cc1F)C=CC(=O)[13CH3] 1458a_100102526129_200025704644 [0,0,0,0,0,0|2,0,0]=2 75 B14R1.3653 COc1ccc(cc1F)C=CC(C)C 271570a_100016257149_100000185480 [0,0,0,0,0,0|3,0,1]=4 76 B14R1.3653 COc1ccc(cc1F)C=CC(C)O 271570a_200011019289_100000185480 [0,0,0,0,0,0|2,0,1]=3 77 B14R1.3653 COc1ccc(cc1F)CCC(=O)C 1458a_100000234888_200000210301 [0,0,0,0,0,0|2,0,2]=4 78 B14R1.3653 COc1ccc(cc1F)CCC(=O)[13CH3] 1458a_100000234888_200025704644 [0,0,0,0,0,0|2,0,2]=4 79 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 11a_100000737316_100015343762 [0,0,0,0,0,0|3,0,1]=4 80 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 1626a_100000737316_100015343762 [0,0,0,0,0,0|3,0,1]=4 81 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 240690a_100000737316_100015343762 [0,0,0,0,0,0|3,0,1]=4 82 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 527a_100000737316_100103153847 [0,0,0,0,0,0|3,0,1]=4 83 B14R1.3653 COc1ccc(cc1F)NCC(=O)N 2230a_100000740183_100000747473 [0,0,0,0,0,0|3,0,1]=4 84 B14R1.3653 COc1ccc(cc1F)NCC(=O)N 34a_100000740183_100000187820 [0,0,0,0,0,0|3,0,1]=4 85 B14R1.3653 COc1ccc(cc1F)NCC(=O)[O-] 34a_100000740183_100020667443 [0,0,0,0,0,0|2,0,2]=4 86 B14R1.3653 COc1ccc(cc1F)OCC(=O)N 34a_100000746305_100000187820 [0,0,0,0,0,0|3,0,1]=4 87 B14R1.3653 COc1ccc(cc1F)OCC(=O)N 7a_100000746305_100000187820 [0,0,0,0,0,0|3,0,1]=4 88 B14R1.3653 COc1ccc(cc1F)OCC(=O)[O-] 34a_100000746305_100020667443 [0,0,0,0,0,0|2,0,2]=4 89 B14R1.3653 COc1ccc(cc1F)SCC(=O)N 62a_100000171752_100000747473 [0,0,0,0,0,0|3,0,1]=4 90 B14R1.3653 COc1ccc(cc1F)SCC(=O)N 62a_100000747473_100000171752 [0,0,0,0,0,0|3,0,1]=4 91 B14R1.3653 COc1ccc(cc1F)SCC(=O)[O-] 62a_100000171752_100020667443 [0,0,0,0,0,0|2,0,2]=4 92 B14R1.3653 COc1ccc(cc1F)SCC(=O)[O-] 62a_100020667443_100000171752 [0,0,0,0,0,0|2,0,2]=4 93 B14R1.3653 COc1ccc(cc1I)NCC(=O)N 34a_100011356947_100000187820 [0,0,0,0,0,0|3,0,1]=4 94 B14R1.3653 COc1ccc(cc1I)NCC(=O)[O-] 34a_100011356947_100020667443 [0,0,0,0,0,0|2,0,2]=4 95 B14R1.3653 COc1ccc(cc1I)OCC(=O)N 34a_100010084122_100000187820 [0,0,0,0,0,0|3,0,1]=4 96 B14R1.3653 COc1ccc(cc1I)OCC(=O)N 7a_100010084122_100000187820 [0,0,0,0,0,0|3,0,1]=4 97 B14R1.3653 COc1ccc(cc1I)OCC(=O)[O-] 34a_100010084122_100020667443 [0,0,0,0,0,0|2,0,2]=4 98 B14R1.3653 COc1ccc(cc1N)C=CC(C)C 271570a_100016257149_100000743470 [0,0,0,0,0,0|3,0,1]=4 99 B14R1.3653 COc1ccc(cc1N)C=CC(C)O 271570a_200011019289_100000743470 [0,0,0,0,0,0|2,0,1]=3 100 B14R1.3653 COc1ccc(cc1N)SCC(=O)N 62a_100000747473_100011249504 [0,0,0,0,0,0|3,0,1]=4 101 B14R1.3653 COc1ccc(cc1N)SCC(=O)N 62a_100011249504_100000747473 [0,0,0,0,0,0|3,0,1]=4 102 B14R1.3653 COc1ccc(cc1N)SCC(=O)[O-] 62a_100011249504_100020667443 [0,0,0,0,0,0|2,0,2]=4 103 B14R1.3653 COc1ccc(cc1N)SCC(=O)[O-] 62a_100020667443_100011249504 [0,0,0,0,0,0|2,0,2]=4 104 B14R1.3653 COc1ccc(cc1O)/C=C/C(=O)C 271570a_203496583355_200016254069 [0,0,0,0,0,0|1,0,0]=1 105 B14R1.3653 COc1ccc(cc1O)C=CC(=O)C 1458a_100000184920_200000210301 [0,0,0,0,0,0|1,0,0]=1 106 B14R1.3653 COc1ccc(cc1O)C=CC(=O)[13CH3] 1458a_100000184920_200025704644 [0,0,0,0,0,0|1,0,0]=1 107 B14R1.3653 COc1ccc(cc1O)C=CC(C)C 271570a_100016257149_100009816560 [0,0,0,0,0,0|2,0,1]=3 108 B14R1.3653 COc1ccc(cc1O)C=CC(C)O 271570a_200011019289_100009816560 [0,0,0,0,0,0|1,0,1]=2 109 B14R1.3653 COc1ccc(cc1O)CCC(=O)C 1458a_100000746301_200000210301 [0,0,0,0,0,0|1,0,2]=3 110 B14R1.3653 COc1ccc(cc1O)CCC(=O)[13CH3] 1458a_100000746301_200025704644 [0,0,0,0,0,0|1,0,2]=3 111 B14R1.3653 COc1ccc(cc1O)CNC(=O)C 240690a_100000740000_100015343762 [0,0,0,0,0,0|2,0,1]=3 112 B14R1.3653 COc1ccc(cc1O)CNC(=O)C 527a_100000740000_100103153847 [0,0,0,0,0,0|2,0,1]=3 113 B14R1.3653 COc1ccc(cc1O)NCC(=O)N 34a_100000211920_100000187820 [0,0,0,0,0,0|2,0,1]=3 114 B14R1.3653 COc1ccc(cc1O)NCC(=O)[O-] 34a_100000211920_100020667443 [0,0,0,0,0,0|1,0,2]=3 115 B14R1.3653 COc1ccc(cc1O)NCC(C)O 34a_100000211920_100011218427 [0,0,0,0,0,0|2,0,2]=4 116 B14R1.3653 COc1ccc(cc1O)NC[C@@H](C)O 34a_100000211920_100009817552 [0,0,0,0,0,0|2,0,2]=4 117 B14R1.3653 COc1ccc(cc1O)NC[N+](=O)[O-] 34a_100000211920_100000761209 [0,0,0,0,0,0|2,0,2]=4 118 B14R1.3653 COc1ccc(cc1O)SCC(=O)N 62a_100000747473_100009816560 [0,0,0,0,0,0|2,0,1]=3 119 B14R1.3653 COc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100009816560 [0,0,0,0,0,0|1,0,2]=3 120 B14R1.3653 COc1ccc(cc1O)SCC(C)O 62a_100011218427_100009816560 [0,0,0,0,0,0|2,0,2]=4 121 B14R1.3653 COc1ccc(cc1O)SC[C@@H](C)O 62a_100009817552_100009816560 [0,0,0,0,0,0|2,0,2]=4 122 B14R1.3653 COc1ccc(nc1Br)C=CC(C)O 271570a_200011019289_100010214827 [0,0,0,0,0,0|3,0,1]=4 123 B14R1.3653 COc1ccc(nc1C)C=CC(C)O 271570a_200011019289_100010244750 [0,0,0,0,0,0|3,0,1]=4 124 B14R1.3653 COc1ccc(nc1Cl)C=CC(C)O 271570a_200011019289_100010233546 [0,0,0,0,0,0|3,0,1]=4 125 B14R1.3653 COc1ccc(nc1F)C=CC(C)O 271570a_200011019289_100010138636 [0,0,0,0,0,0|3,0,1]=4 126 B14R1.3653 COc1ccc(nc1N)C=CC(C)O 271570a_200011019289_100010192976 [0,0,0,0,0,0|3,0,1]=4 127 B14R1.3653 COc1cnc(cc1N)C=CC(C)O 271570a_200011019289_100010896307 [0,0,0,0,0,0|3,0,1]=4 128 B14R1.3653 COc1cnc(cc1O)C=CC(C)C 271570a_100016257149_100010264082 [0,0,0,0,0,0|3,0,1]=4 129 B14R1.3653 COc1cnc(cc1O)C=CC(C)O 271570a_200011019289_100010264082 [0,0,0,0,0,0|2,0,1]=3 130 B14R1.3653 COc1cnc(cc1O)SCC(=O)N 62a_100000747473_100010264082 [0,0,0,0,0,0|3,0,1]=4 131 B14R1.3653 COc1cnc(cc1O)SCC(=O)[O-] 62a_100020667443_100010264082 [0,0,0,0,0,0|2,0,2]=4 132 B14R1.3653 COc1ncc(cc1Br)C=CC(C)O 271570a_200011019289_200010988584 [0,0,0,0,0,0|3,0,1]=4 133 B14R1.3653 COc1ncc(cc1C)C=CC(C)O 271570a_200011019289_100011290809 [0,0,0,0,0,0|3,0,1]=4 134 B14R1.3653 COc1ncc(cc1F)C=CC(C)O 271570a_200011019289_100011880707 [0,0,0,0,0,0|3,0,1]=4 135 B14R1.3653 COc1ncc(cc1N)C=CC(C)O 271570a_200011019289_100000748608 [0,0,0,0,0,0|3,0,1]=4 136 B14R1.3653 COc1ncc(cc1O)C=CC(C)C 271570a_100016257149_100010135713 [0,0,0,0,0,0|3,0,1]=4 137 B14R1.3653 COc1ncc(cc1O)C=CC(C)O 271570a_200011019289_100010135713 [0,0,0,0,0,0|2,0,1]=3 138 B14R1.3653 COc1ncc(cc1O)SCC(=O)N 62a_100000747473_100010135713 [0,0,0,0,0,0|3,0,1]=4 139 B14R1.3653 COc1ncc(cc1O)SCC(=O)[O-] 62a_100020667443_100010135713 [0,0,0,0,0,0|2,0,2]=4 140 B14R1.3653 CSc1ccc(cc1Cl)C=CC(C)O 271570a_200011019289_206447510565 [0,0,0,0,0,0|2,1,1]=4 141 B14R1.3653 CSc1ccc(cc1F)C=CC(C)O 271570a_200011019289_100010161220 [0,0,0,0,0,0|2,1,1]=4 142 B13R1.3 C=Cc1ccc(cc1)/C=C/C(=O)C 271570a_100011290941_200016259395 [1,0,0,0,0,0|2,0,1]=4 143 B13R1.3 CC(=O)/C=C/c1ccc(cc1)O[13CH3] 34a_100000189429_200025704644 [1,0,0,0,0,0|1,0,0]=2 144 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200016259395_200025704644 [1,0,0,0,0,0|1,1,0]=3 145 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_200016259395 [1,0,0,0,0,0|1,1,0]=3 146 B13R1.3 CC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_200000210301 [1,0,0,0,0,0|3,0,0]=4 147 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000198047_200025704644 [1,0,0,0,0,0|1,0,2]=4 148 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000198047_200025704644 [1,0,0,0,0,0|1,0,2]=4 149 B13R1.3 CCc1ccc(cc1)C=CC(=O)C 1458a_100000187855_200000210301 [1,0,0,0,0,0|2,0,0]=3 150 B13R1.3 CCc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000187855_200025704644 [1,0,0,0,0,0|2,0,0]=3 151 B13R1.3 CCc1ccc(cc1)C=CC(C)O 271570a_200011019289_100011215824 [1,0,0,0,0,0|2,0,1]=4 152 B13R1.3 CNc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000219623 [1,0,0,0,0,0|2,0,1]=4 153 B13R1.3 COc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_200000210301 [1,0,0,0,0,0|1,0,0]=2 154 B13R1.3 COc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200000210301 [1,0,0,0,0,0|1,0,1]=3 155 B13R1.3 COc1ccc(cc1)C#CC(=O)C 1458a_100000185621_200000210301 [1,0,0,0,0,0|1,0,2]=4 156 B13R1.3 COc1ccc(cc1)C#CC(=O)[13CH3] 1458a_100000185621_200025704644 [1,0,0,0,0,0|1,0,2]=4 157 B13R1.3 COc1ccc(cc1)C=CC(=O)C 1458a_100000184205_200000210301 [1,0,0,0,0,0|1,0,0]=2 158 B13R1.3 COc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000184205_200025704644 [1,0,0,0,0,0|1,0,0]=2 159 B13R1.3 COc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000171711 [1,0,0,0,0,0|2,0,1]=4 160 B13R1.3 COc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000171711 [1,0,0,0,0,0|1,0,1]=3 161 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000184700 [1,0,0,0,0,0|1,0,2]=4 162 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000211712_200000210301 [1,0,0,0,0,0|1,0,2]=4 163 B13R1.3 COc1ccc(cc1)CCC(=O)C 34a_100000198047_200000210301 [1,0,0,0,0,0|1,0,2]=4 164 B13R1.3 COc1ccc(cc1)CCC(=O)C 7a_100000198047_200000210301 [1,0,0,0,0,0|1,0,2]=4 165 B13R1.3 COc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000211712_200025704644 [1,0,0,0,0,0|1,0,2]=4 166 B13R1.3 COc1ccc(cc1)CNC(=O)C 11a_100000185587_100015343762 [1,0,0,0,0,0|2,0,1]=4 167 B13R1.3 COc1ccc(cc1)CNC(=O)C 1626a_100000185587_100015343762 [1,0,0,0,0,0|2,0,1]=4 168 B13R1.3 COc1ccc(cc1)CNC(=O)C 240690a_100000185587_100015343762 [1,0,0,0,0,0|2,0,1]=4 169 B13R1.3 COc1ccc(cc1)CNC(=O)C 527a_100000185587_100103153847 [1,0,0,0,0,0|2,0,1]=4 170 B13R1.3 COc1ccc(cc1)NCC(=O)N 34a_100000184247_100000187820 [1,0,0,0,0,0|2,0,1]=4 171 B13R1.3 COc1ccc(cc1)NCC(=O)[O-] 34a_100000184247_100020667443 [1,0,0,0,0,0|1,0,2]=4 172 B13R1.3 COc1ccc(cc1)NNC(=O)C 22a_100000005221_100000070787 [1,0,0,0,0,0|3,0,0]=4 173 B13R1.3 COc1ccc(cc1)OCC(=O)C 1458a_100000186439_200000210301 [1,0,0,0,0,0|2,0,1]=4 174 B13R1.3 COc1ccc(cc1)OCC(=O)N 34a_100000210503_100000187820 [1,0,0,0,0,0|2,0,1]=4 175 B13R1.3 COc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000186439_200025704644 [1,0,0,0,0,0|2,0,1]=4 176 B13R1.3 COc1ccc(cc1)OCC(=O)[O-] 34a_100000210503_100020667443 [1,0,0,0,0,0|1,0,2]=4 177 B13R1.3 COc1ccc(cc1)SCC(=O)C 1458a_100000182033_200000210301 [1,0,0,0,0,0|2,0,1]=4 178 B13R1.3 COc1ccc(cc1)SCC(=O)N 62a_100000747473_100000171711 [1,0,0,0,0,0|2,0,1]=4 179 B13R1.3 COc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000182033_200025704644 [1,0,0,0,0,0|2,0,1]=4 180 B13R1.3 COc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000171711 [1,0,0,0,0,0|1,0,2]=4 181 B13R1.3 COc1ccc(cn1)C=CC(C)O 271570a_200011019289_100000047065 [1,0,0,0,0,0|2,0,1]=4 182 B13R1.3 COc1ccc(nc1)C=CC(C)O 271570a_200011019289_100000755202 [1,0,0,0,0,0|2,0,1]=4 183 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200000210301_200016259395 [1,0,0,0,0,0|1,1,0]=3 184 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200016259395_200000210301 [1,0,0,0,0,0|1,1,0]=3 185 B13R1.3 CSc1ccc(cc1)C=CC(=O)C 1458a_100102526083_200000210301 [1,0,0,0,0,0|1,1,0]=3 186 B13R1.3 CSc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100102526083_200025704644 [1,0,0,0,0,0|1,1,0]=3 187 B13R1.3 CSc1ccc(cc1)C=CC(C)O 271570a_200011019289_100011263217 [1,0,0,0,0,0|1,1,1]=4 188 B13R1.3 [13CH3]C(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_200025704644 [1,0,0,0,0,0|3,0,0]=4 189 B13R1.3 [13CH3]Oc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200025704644 [1,0,0,0,0,0|1,0,1]=3 190 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_200000210301 [1,0,0,0,0,0|3,0,0]=4 191 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_200000210301 [1,0,0,0,0,0|3,0,0]=4 192 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200000210301 [1,0,0,0,0,0|2,0,0]=3 193 B13R1.511 CC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_200000210301 [1,0,0,0,0,0|2,0,0]=3 194 B13R1.511 CC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_200000210301 [1,0,0,0,0,0|3,0,0]=4 195 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_200000210301 [1,0,0,0,0,0|3,0,0]=4 196 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_200000210301 [1,0,0,0,0,0|3,0,0]=4 197 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200000210301 [1,0,0,0,0,0|2,0,0]=3 198 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_200000210301 [1,0,0,0,0,0|3,0,0]=4 199 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_200000210301 [1,0,0,0,0,0|2,0,0]=3 200 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_200000210301 [1,0,0,0,0,0|3,0,0]=4 201 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_200000210301 [1,0,0,0,0,0|3,0,0]=4 202 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [1,0,0,0,0,0|1,0,2]=4 203 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [1,0,0,0,0,0|1,0,2]=4 204 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100015343762 [1,0,0,0,0,0|2,0,1]=4 205 B13R1.511 CC(C)C=Cc1ccc(c(c1)O)O 271570a_100016257149_100009813601 [1,0,0,0,0,0|2,0,1]=4 206 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)O 271570a_200011019289_100012361655 [1,0,0,0,0,0|2,0,1]=4 207 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)O 271570a_200011019289_100012360047 [1,0,0,0,0,0|2,0,1]=4 208 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)O 271570a_200011019289_100000185481 [1,0,0,0,0,0|2,0,1]=4 209 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)O 271570a_200011019289_100000752626 [1,0,0,0,0,0|2,0,1]=4 210 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)Br 271570a_200011019289_100012356990 [1,0,0,0,0,0|2,0,1]=4 211 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)Cl 271570a_200011019289_100011356854 [1,0,0,0,0,0|2,0,1]=4 212 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)F 271570a_200011019289_100000686035 [1,0,0,0,0,0|2,0,1]=4 213 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)N 271570a_200011019289_100000739049 [1,0,0,0,0,0|2,0,1]=4 214 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)O 271570a_200011019289_100009813601 [1,0,0,0,0,0|1,0,1]=3 215 B13R1.511 Cc1cc(ccc1F)C=CC(=O)[13CH3] 1458a_100016261966_200025704644 [1,0,0,0,0,0|3,0,0]=4 216 B13R1.511 Cc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000186361 [1,0,0,0,0,0|2,0,1]=4 217 B13R1.511 Cc1ccc(cc1Br)C=CC(C)O 271570a_200011019289_100011847877 [1,0,0,0,0,0|2,0,1]=4 218 B13R1.511 Cc1ccc(cc1C)C=CC(=O)[13CH3] 1458a_100011338269_200025704644 [1,0,0,0,0,0|2,0,0]=3 219 B13R1.511 Cc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100011215607 [1,0,0,0,0,0|2,0,1]=4 220 B13R1.511 Cc1ccc(cc1Cl)C=CC(C)O 271570a_200011019289_100011216363 [1,0,0,0,0,0|2,0,1]=4 221 B13R1.511 Cc1ccc(cc1F)C=CC(=O)[13CH3] 1458a_100102526211_200025704644 [1,0,0,0,0,0|2,0,0]=3 222 B13R1.511 Cc1ccc(cc1F)C=CC(C)O 271570a_200011019289_100000720648 [1,0,0,0,0,0|2,0,1]=4 223 B13R1.511 Cc1ccc(cc1N)C=CC(C)O 271570a_200011019289_100000761890 [1,0,0,0,0,0|2,0,1]=4 224 B13R1.511 Cc1ccc(cc1O)C=CC(C)C 271570a_100016257149_100000766334 [1,0,0,0,0,0|2,0,1]=4 225 B13R1.511 Cc1ccc(cc1O)C=CC(C)O 271570a_200011019289_100000766334 [1,0,0,0,0,0|1,0,1]=3 226 B13R1.511 Cc1ccc(cc1O)NCC(=O)N 34a_100000759471_100000187820 [1,0,0,0,0,0|2,0,1]=4 227 B13R1.511 Cc1ccc(cc1O)NCC(=O)N 7a_100000759471_100000187820 [1,0,0,0,0,0|2,0,1]=4 228 B13R1.511 Cc1ccc(cc1O)NCC(=O)[O-] 34a_100000759471_100020667443 [1,0,0,0,0,0|1,0,2]=4 229 B13R1.511 Cc1ccc(cc1O)SCC(=O)N 62a_100000685420_100000747473 [1,0,0,0,0,0|2,0,1]=4 230 B13R1.511 Cc1ccc(cc1O)SCC(=O)N 62a_100000747473_100000685420 [1,0,0,0,0,0|2,0,1]=4 231 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100000685420_100020667443 [1,0,0,0,0,0|1,0,2]=4 232 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100000685420 [1,0,0,0,0,0|1,0,2]=4 233 B13R1.511 Cc1cnc(cc1O)C=CC(C)O 271570a_200011019289_100000704368 [1,0,0,0,0,0|2,0,1]=4 234 B13R1.511 Cc1ncc(cc1O)C=CC(C)O 271570a_200011019289_100009864810 [1,0,0,0,0,0|2,0,1]=4 235 B13R1.511 NC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000187820 [1,0,0,0,0,0|2,0,1]=4 236 B13R1.511 NC(=O)CSc1ccc(c(c1)O)O 62a_100000747473_100009813601 [1,0,0,0,0,0|2,0,1]=4 237 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100020667443 [1,0,0,0,0,0|1,0,2]=4 238 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)O 62a_100020667443_100009813601 [1,0,0,0,0,0|1,0,2]=4 239 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_200025704644 [1,0,0,0,0,0|3,0,0]=4 240 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_200025704644 [1,0,0,0,0,0|3,0,0]=4 241 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200025704644 [1,0,0,0,0,0|2,0,0]=3 242 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_200025704644 [1,0,0,0,0,0|3,0,0]=4 243 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_200025704644 [1,0,0,0,0,0|3,0,0]=4 244 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200025704644 [1,0,0,0,0,0|2,0,0]=3 245 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_200025704644 [1,0,0,0,0,0|3,0,0]=4 246 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_200025704644 [1,0,0,0,0,0|3,0,0]=4 247 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_200025704644 [1,0,0,0,0,0|3,0,0]=4 248 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [1,0,0,0,0,0|1,0,2]=4 249 B13R1.577 C=CCNc1ccc(c(c1)O)OC 34a_100000211920_100015514636 [1,0,0,0,0,0|2,0,1]=4 250 B13R1.577 C=CCSc1ccc(c(c1)O)OC 62a_100000210623_100009816560 [1,0,0,0,0,0|2,0,1]=4 251 B13R1.577 COc1ccc(cc1Br)NCC=O 34a_100000187427_200009817547 [1,0,0,0,0,0|2,0,1]=4 252 B13R1.577 COc1ccc(cc1Br)OCC=O 34a_100010234764_200009817547 [1,0,0,0,0,0|2,0,1]=4 253 B13R1.577 COc1ccc(cc1Br)OCC=O 7a_100010234764_200015260668 [1,0,0,0,0,0|2,0,1]=4 254 B13R1.577 COc1ccc(cc1Br)SCC=O 62a_100011249507_200015260668 [1,0,0,0,0,0|2,0,1]=4 255 B13R1.577 COc1ccc(cc1Br)SCC=O 62a_200015260668_100011249507 [1,0,0,0,0,0|2,0,1]=4 256 B13R1.577 COc1ccc(cc1C)NCC=O 2230a_100000743268_200015260668 [1,0,0,0,0,0|2,0,1]=4 257 B13R1.577 COc1ccc(cc1C)NCC=O 34a_100000743268_200009817547 [1,0,0,0,0,0|2,0,1]=4 258 B13R1.577 COc1ccc(cc1C)NCC=O 7a_100000743268_200015260668 [1,0,0,0,0,0|2,0,1]=4 259 B13R1.577 COc1ccc(cc1C)OCC=O 34a_100000759738_200009817547 [1,0,0,0,0,0|2,0,1]=4 260 B13R1.577 COc1ccc(cc1C)OCC=O 7a_100000759738_200015260668 [1,0,0,0,0,0|2,0,1]=4 261 B13R1.577 COc1ccc(cc1C)SCC=O 62a_100011219705_200015260668 [1,0,0,0,0,0|2,0,1]=4 262 B13R1.577 COc1ccc(cc1C)SCC=O 62a_200015260668_100011219705 [1,0,0,0,0,0|2,0,1]=4 263 B13R1.577 COc1ccc(cc1Cl)NCC=O 2230a_100000211044_200015260668 [1,0,0,0,0,0|2,0,1]=4 264 B13R1.577 COc1ccc(cc1Cl)NCC=O 34a_100000211044_200009817547 [1,0,0,0,0,0|2,0,1]=4 265 B13R1.577 COc1ccc(cc1Cl)OCC=O 34a_200009861682_200009817547 [1,0,0,0,0,0|2,0,1]=4 266 B13R1.577 COc1ccc(cc1Cl)OCC=O 7a_200009861682_200015260668 [1,0,0,0,0,0|2,0,1]=4 267 B13R1.577 COc1ccc(cc1Cl)SCC=O 62a_100012355395_200015260668 [1,0,0,0,0,0|2,0,1]=4 268 B13R1.577 COc1ccc(cc1Cl)SCC=O 62a_200015260668_100012355395 [1,0,0,0,0,0|2,0,1]=4 269 B13R1.577 COc1ccc(cc1F)NCC=O 2230a_100000740183_200015260668 [1,0,0,0,0,0|2,0,1]=4 270 B13R1.577 COc1ccc(cc1F)NCC=O 34a_100000740183_200009817547 [1,0,0,0,0,0|2,0,1]=4 271 B13R1.577 COc1ccc(cc1F)OCC=O 34a_100000746305_200009817547 [1,0,0,0,0,0|2,0,1]=4 272 B13R1.577 COc1ccc(cc1F)OCC=O 7a_100000746305_200015260668 [1,0,0,0,0,0|2,0,1]=4 273 B13R1.577 COc1ccc(cc1F)SCC=O 62a_100000171752_200015260668 [1,0,0,0,0,0|2,0,1]=4 274 B13R1.577 COc1ccc(cc1F)SCC=O 62a_200015260668_100000171752 [1,0,0,0,0,0|2,0,1]=4 275 B13R1.577 COc1ccc(cc1I)NCC=O 34a_100011356947_200009817547 [1,0,0,0,0,0|2,0,1]=4 276 B13R1.577 COc1ccc(cc1I)OCC=O 34a_100010084122_200009817547 [1,0,0,0,0,0|2,0,1]=4 277 B13R1.577 COc1ccc(cc1I)OCC=O 7a_100010084122_200015260668 [1,0,0,0,0,0|2,0,1]=4 278 B13R1.577 COc1ccc(cc1N)SCC=O 62a_100011249504_200015260668 [1,0,0,0,0,0|2,0,1]=4 279 B13R1.577 COc1ccc(cc1N)SCC=O 62a_200015260668_100011249504 [1,0,0,0,0,0|2,0,1]=4 280 B13R1.577 COc1ccc(cc1O)NCC=O 34a_100000211920_200009817547 [1,0,0,0,0,0|1,0,1]=3 281 B13R1.577 COc1ccc(cc1O)NCCO 34a_100000211920_100000211926 [1,0,0,0,0,0|1,0,2]=4 282 B13R1.577 COc1ccc(cc1O)SCC=O 62a_200015260668_100009816560 [1,0,0,0,0,0|1,0,1]=3 283 B13R1.577 COc1ccc(cc1O)SCCO 62a_100000211926_100009816560 [1,0,0,0,0,0|1,0,2]=4 284 B13R1.577 COc1cnc(cc1O)SCC=O 62a_200015260668_100010264082 [1,0,0,0,0,0|2,0,1]=4 285 B13R1.577 COc1ncc(cc1O)SCC=O 62a_200015260668_100010135713 [1,0,0,0,0,0|2,0,1]=4 286 B15R1.1818 COc1cc(c(cc1C)C=CC(C)O)C 271570a_200011019289_100000698960 [0,1,0,0,0,0|2,0,1]=4 287 B15R1.1818 COc1cc(c(cc1C)C=CC(C)O)N 271570a_200011019289_100010244135 [0,1,0,0,0,0|2,0,1]=4 288 B15R1.1818 COc1cc(c(cc1F)C=CC(C)O)C 271570a_200011019289_100010074640 [0,1,0,0,0,0|2,0,1]=4 289 B15R1.1818 COc1cc(c(cc1F)C=CC(C)O)F 271570a_200011019289_100009813720 [0,1,0,0,0,0|2,0,1]=4 290 B15R1.1818 COc1cc(c(cc1F)C=CC(C)O)N 271570a_200011019289_100010208193 [0,1,0,0,0,0|2,0,1]=4 291 B15R1.1818 COc1cc(c(cc1N)C=CC(C)O)Cl 271570a_200011019289_100011011177 [0,1,0,0,0,0|2,0,1]=4 292 B15R1.1818 COc1cc(c(cc1N)C=CC(C)O)F 271570a_200011019289_100012361397 [0,1,0,0,0,0|2,0,1]=4 293 B15R1.1876 COc1ccc(c(c1C)C)C=CC(C)O 271570a_200011019289_100000049725 [0,1,0,0,0,0|2,0,1]=4 294 B15R1.1876 COc1ccc(c(c1F)F)C=CC(C)O 271570a_200011019289_100009816879 [0,1,0,0,0,0|2,0,1]=4 295 B15R1.3775 COc1ccc(cc1Br)C=CC(C)(C)O 271570a_200016258132_100011249507 [0,1,0,0,0,0|2,0,1]=4 296 B15R1.3775 COc1ccc(cc1C)C=CC(C)(C)O 271570a_200016258132_100011219705 [0,1,0,0,0,0|2,0,1]=4 297 B15R1.3775 COc1ccc(cc1Cl)C=CC(C)(C)O 271570a_200016258132_100012355395 [0,1,0,0,0,0|2,0,1]=4 298 B15R1.3775 COc1ccc(cc1F)C=CC(C)(C)O 271570a_200016258132_100000185480 [0,1,0,0,0,0|2,0,1]=4 299 B15R1.3775 COc1ccc(cc1N)C=CC(C)(C)O 271570a_200016258132_100000743470 [0,1,0,0,0,0|2,0,1]=4 300 B15R1.3775 COc1ccc(cc1O)C=CC(C)(C)C 271570a_100102527731_100009816560 [0,1,0,0,0,0|2,0,1]=4 301 B15R1.3775 COc1ccc(cc1O)C=CC(C)(C)O 271570a_200016258132_100009816560 [0,1,0,0,0,0|1,0,1]=3 302 B15R1.3775 COc1cnc(cc1O)C=CC(C)(C)O 271570a_200016258132_100010264082 [0,1,0,0,0,0|2,0,1]=4 303 B15R1.3775 COc1ncc(cc1O)C=CC(C)(C)O 271570a_200016258132_100010135713 [0,1,0,0,0,0|2,0,1]=4 304 B15R1.3776 C=C(C)CC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000748629 [0,1,0,0,0,0|2,0,1]=4 305 B15R1.3776 C=C(F)CC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100009893438 [0,1,0,0,0,0|2,0,1]=4 306 B15R1.3776 CCc1ccc(cc1O)C(=O)CC(=O)N 1458a_100000089006_100000187820 [0,1,0,0,0,0|2,0,1]=4 307 B15R1.3776 CCc1ccc(cc1O)C(=O)CC(=O)[O-] 1458a_100000089006_100020667443 [0,1,0,0,0,0|1,0,2]=4 308 B15R1.3776 COc1ccc(cc1Br)C(=O)CC(=O)C 1458a_100000070787_100000185116 [0,1,0,0,0,0|2,0,1]=4 309 B15R1.3776 COc1ccc(cc1Br)C(=O)CC(=O)N 1458a_100000187947_100000187820 [0,1,0,0,0,0|2,0,1]=4 310 B15R1.3776 COc1ccc(cc1Br)C(=O)CC(=O)[O-] 1458a_100000187947_100020667443 [0,1,0,0,0,0|1,0,2]=4 311 B15R1.3776 COc1ccc(cc1C)C(=O)CC(=O)N 1458a_100011202886_100000187820 [0,1,0,0,0,0|2,0,1]=4 312 B15R1.3776 COc1ccc(cc1C)C(=O)CC(=O)[O-] 1458a_100011202886_100020667443 [0,1,0,0,0,0|1,0,2]=4 313 B15R1.3776 COc1ccc(cc1Cl)C(=O)CC(=O)C 1458a_100000070787_100000198526 [0,1,0,0,0,0|2,0,1]=4 314 B15R1.3776 COc1ccc(cc1Cl)C(=O)CC(=O)N 1458a_100000188346_100000187820 [0,1,0,0,0,0|2,0,1]=4 315 B15R1.3776 COc1ccc(cc1Cl)C(=O)CC(=O)[O-] 1458a_100000188346_100020667443 [0,1,0,0,0,0|1,0,2]=4 316 B15R1.3776 COc1ccc(cc1F)C(=O)CC(=O)C 1458a_100000070787_100000195436 [0,1,0,0,0,0|2,0,1]=4 317 B15R1.3776 COc1ccc(cc1F)C(=O)CC(=O)N 1458a_100000186160_100000187820 [0,1,0,0,0,0|2,0,1]=4 318 B15R1.3776 COc1ccc(cc1F)C(=O)CC(=O)[O-] 1458a_100000186160_100020667443 [0,1,0,0,0,0|1,0,2]=4 319 B15R1.3776 COc1ccc(cc1I)C(=O)CC(=O)N 1458a_100000188716_100000187820 [0,1,0,0,0,0|2,0,1]=4 320 B15R1.3776 COc1ccc(cc1I)C(=O)CC(=O)[O-] 1458a_100000188716_100020667443 [0,1,0,0,0,0|1,0,2]=4 321 B15R1.3776 COc1ccc(cc1O)C(=O)CC(=O)N 1458a_100000766810_100000187820 [0,1,0,0,0,0|1,0,1]=3 322 B15R1.3776 COc1ccc(cc1O)C(=O)CC(=O)[O-] 1458a_100000766810_100020667443 [0,1,0,0,0,0|0,0,2]=3 323 B15R1.3776 COc1ccc(cc1O)C(=O)CC(C)O 1458a_100000766810_100011218427 [0,1,0,0,0,0|1,0,2]=4 324 B15R1.3776 COc1ccc(cc1O)C(=O)C[N+](=O)[O-] 1458a_100000766810_100000761209 [0,1,0,0,0,0|1,0,2]=4 325 B15R1.3777 C=C(C)C(=O)Nc1ccc(c(c1)O)OC 22a_100000211920_100000185857 [0,1,0,0,0,0|3,0,0]=4 326 B15R1.3777 C=C(Cl)C(=O)Nc1ccc(c(c1)O)OC 22a_100000211920_100000039160 [0,1,0,0,0,0|3,0,0]=4 327 B15R1.3777 C=C(F)C(=O)Nc1ccc(c(c1)O)OC 22a_100000211920_100000036797 [0,1,0,0,0,0|3,0,0]=4 328 B15R1.3777 COc1ccc(cc1Br)NC(=O)C(=O)N 22a_100000187427_100011215815 [0,1,0,0,0,0|3,0,0]=4 329 B15R1.3777 COc1ccc(cc1C)NC(=O)C(=O)N 22a_100000743268_100011215815 [0,1,0,0,0,0|3,0,0]=4 330 B15R1.3777 COc1ccc(cc1Cl)NC(=O)C(=O)N 22a_100000211044_100011215815 [0,1,0,0,0,0|3,0,0]=4 331 B15R1.3777 COc1ccc(cc1F)NC(=O)C(=O)N 22a_100000740183_100011215815 [0,1,0,0,0,0|3,0,0]=4 332 B15R1.3777 COc1ccc(cc1I)NC(=O)C(=O)N 22a_100011356947_100011215815 [0,1,0,0,0,0|3,0,0]=4 333 B15R1.3777 COc1ccc(cc1O)CN(C)C(=O)C 240690a_100000188468_100015343762 [0,1,0,0,0,0|2,0,1]=4 334 B15R1.3777 COc1ccc(cc1O)CN(C)C(=O)C 527a_100000188468_100103153847 [0,1,0,0,0,0|2,0,1]=4 335 B15R1.3777 COc1ccc(cc1O)NC(=O)C(=O)N 22a_100000211920_100011215815 [0,1,0,0,0,0|2,0,0]=3 336 B15R1.3777 COc1ccc(cc1O)NC(=O)C(O)O 22a_100000211920_100000233687 [0,1,0,0,0,0|1,0,2]=4 337 B15R1.3777 COc1ccc(cc1O)NC(=O)[C@@H](C)O 22a_100000211920_100000717761 [0,1,0,0,0,0|2,0,1]=4 338 B15R1.3777 COc1ccc(cc1O)NC(=O)[C@H](C)O 22a_100000211920_217856618621 [0,1,0,0,0,0|2,0,1]=4 339 B15R1.3777 COc1ccc(cc1O)NC(C)C(=O)N 34a_100000211920_100000702099 [0,1,0,0,0,0|2,0,1]=4 340 B15R1.3777 COc1ccc(cc1O)NC(F)C(=O)N 34a_100000211920_100009813875 [0,1,0,0,0,0|2,0,1]=4 341 B15R1.3777 COc1ccc(cc1O)NC(F)C(=O)[O-] 34a_100000211920_100020610796 [0,1,0,0,0,0|1,0,2]=4 342 B15R1.3777 COc1ccc(cc1O)SC(C)C(=O)C 62a_100009814033_100009816560 [0,1,0,0,0,0|2,0,1]=4 343 B15R1.3777 COc1ccc(cc1O)SC(C)C(=O)N 62a_100000702099_100009816560 [0,1,0,0,0,0|2,0,1]=4 344 B15R1.3777 COc1ccc(cc1O)SC(F)C(=O)N 62a_100009813875_100009816560 [0,1,0,0,0,0|2,0,1]=4 345 B15R1.3777 COc1ccc(cc1O)SC(F)C(=O)[O-] 62a_100020610796_100009816560 [0,1,0,0,0,0|1,0,2]=4 346 B15R1.3779 C=CC(=O)NCc1ccc(c(c1)O)OC 240690a_100000740000_200121576911 [0,1,0,0,0,0|2,0,1]=4 347 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)Br)OC 1458a_200000186738_100000210202 [0,1,0,0,0,0|2,0,0]=3 348 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)Br)OC 6a_100000173361_100000211110 [0,1,0,0,0,0|2,0,0]=3 349 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)C)OC 1458a_100116352456_100000210202 [0,1,0,0,0,0|2,0,0]=3 350 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)C)OC 6a_100000239718_100000211110 [0,1,0,0,0,0|2,0,0]=3 351 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)Cl)OC 1458a_100000735007_100000210202 [0,1,0,0,0,0|2,0,0]=3 352 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)Cl)OC 6a_100000186747_100000211110 [0,1,0,0,0,0|2,0,0]=3 353 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)F)OC 1458a_100102526129_100000210202 [0,1,0,0,0,0|2,0,0]=3 354 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)F)OC 6a_100000204617_100000211110 [0,1,0,0,0,0|2,0,0]=3 355 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)I)OC 6a_100009827998_100000211110 [0,1,0,0,0,0|2,0,0]=3 356 B15R1.3779 CCC(=O)C=Cc1ccc(c(c1)O)OC 1458a_100000184920_100000210202 [0,1,0,0,0,0|1,0,0]=2 357 B15R1.3779 CCC(=O)C=Cc1cnc(c(c1)F)OC 6a_100000081167_100000211110 [0,1,0,0,0,0|3,0,0]=4 358 B15R1.3779 CCC(=O)CCc1ccc(c(c1)O)OC 1458a_100000746301_100000210202 [0,1,0,0,0,0|1,0,2]=4 359 B15R1.3779 CCC(=O)CSc1ccc(c(c1)O)OC 62a_100000747405_100009816560 [0,1,0,0,0,0|2,0,1]=4 360 B15R1.3779 CCC(=O)NCc1ccc(c(c1)O)OC 240690a_100000740000_100000210414 [0,1,0,0,0,0|2,0,1]=4 361 B15R1.3779 CCC(=O)NCc1ccc(c(c1)O)OC 527a_100000740000_100000210414 [0,1,0,0,0,0|2,0,1]=4 362 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)Br)OC 11a_106832991635_200000186738 [0,1,0,0,0,0|2,0,0]=3 363 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)Br)OC 1626a_100102657272_200000186738 [0,1,0,0,0,0|2,0,0]=3 364 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)Br)OC 240690a_100102657272_200000186738 [0,1,0,0,0,0|2,0,0]=3 365 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)C)OC 11a_106832991635_100116352456 [0,1,0,0,0,0|2,0,0]=3 366 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)C)OC 1626a_100102657272_100116352456 [0,1,0,0,0,0|2,0,0]=3 367 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)C)OC 240690a_100102657272_100116352456 [0,1,0,0,0,0|2,0,0]=3 368 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)Cl)OC 11a_106832991635_100000735007 [0,1,0,0,0,0|2,0,0]=3 369 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)Cl)OC 1626a_100102657272_100000735007 [0,1,0,0,0,0|2,0,0]=3 370 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)Cl)OC 240690a_100102657272_100000735007 [0,1,0,0,0,0|2,0,0]=3 371 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)F)OC 11a_106832991635_100102526129 [0,1,0,0,0,0|2,0,0]=3 372 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)F)OC 1626a_100102657272_100102526129 [0,1,0,0,0,0|2,0,0]=3 373 B15R1.3779 CNC(=O)C=Cc1ccc(c(c1)F)OC 240690a_100102657272_100102526129 [0,1,0,0,0,0|2,0,0]=3 374 B15R1.3779 CNC(=O)CCc1ccc(c(c1)O)OC 240690a_100102657272_100000746301 [0,1,0,0,0,0|1,0,2]=4 375 B15R1.3779 CNC(=O)CNc1ccc(c(c1)O)OC 34a_100000211920_100000183359 [0,1,0,0,0,0|2,0,1]=4 376 B15R1.3779 CNC(=O)CSc1ccc(c(c1)O)OC 62a_100000183359_100009816560 [0,1,0,0,0,0|2,0,1]=4 377 B15R1.3779 CNC(=O)NCc1ccc(c(c1)O)OC 2708a_100000740000_106832991635 [0,1,0,0,0,0|2,0,1]=4 378 B15R1.3779 CNC(=O)NCc1ccc(c(c1)O)OC 2708a_100102657272_100000740000 [0,1,0,0,0,0|2,0,1]=4 379 B15R1.3779 CNC(=O)NCc1ccc(c(c1)O)OC 273464a_100000740000_100102657272 [0,1,0,0,0,0|2,0,1]=4 380 B15R1.3779 CNC(=O)NCc1ccc(c(c1)O)OC 273464a_100102657272_100000740000 [0,1,0,0,0,0|2,0,1]=4 381 B15R1.3779 CNC(=O)NCc1ccc(c(c1)O)OC 512a_100000740000_100102657272 [0,1,0,0,0,0|2,0,1]=4 382 B15R1.3779 CNC(=O)NCc1ccc(c(c1)O)OC 512a_106832991638_100000740000 [0,1,0,0,0,0|2,0,1]=4 383 B15R1.3779 COC(=O)/C=C/c1ccc(c(c1)Cl)OC 34a_100102526190_200000210301 [0,1,0,0,0,0|1,0,0]=2 384 B15R1.3779 COC(=O)/C=C/c1ccc(c(c1)Cl)OC 7a_100102526190_200000210301 [0,1,0,0,0,0|1,0,0]=2 385 B15R1.3779 COC(=O)/C=C/c1ccc(c(c1)Cl)O[13CH3] 34a_100102526190_200025704644 [0,1,0,0,0,0|1,0,0]=2 386 B15R1.3779 COC(=O)/C=C/c1ccc(c(c1)Cl)O[13CH3] 7a_100102526190_200025704644 [0,1,0,0,0,0|1,0,0]=2 387 B15R1.3779 COC(=O)CNc1ccc(c(c1)Br)OC 34a_100000187427_100000747449 [0,1,0,0,0,0|2,0,1]=4 388 B15R1.3779 COC(=O)CNc1ccc(c(c1)C)OC 2230a_100000743268_100000747449 [0,1,0,0,0,0|2,0,1]=4 389 B15R1.3779 COC(=O)CNc1ccc(c(c1)C)OC 34a_100000743268_100000747449 [0,1,0,0,0,0|2,0,1]=4 390 B15R1.3779 COC(=O)CNc1ccc(c(c1)C)OC 7a_100000743268_100000747449 [0,1,0,0,0,0|2,0,1]=4 391 B15R1.3779 COC(=O)CNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000747449 [0,1,0,0,0,0|2,0,1]=4 392 B15R1.3779 COC(=O)CNc1ccc(c(c1)Cl)OC 34a_100000211044_100000747449 [0,1,0,0,0,0|2,0,1]=4 393 B15R1.3779 COC(=O)CNc1ccc(c(c1)F)OC 2230a_100000740183_100000747449 [0,1,0,0,0,0|2,0,1]=4 394 B15R1.3779 COC(=O)CNc1ccc(c(c1)F)OC 34a_100000740183_100000747449 [0,1,0,0,0,0|2,0,1]=4 395 B15R1.3779 COC(=O)CNc1ccc(c(c1)I)OC 34a_100011356947_100000747449 [0,1,0,0,0,0|2,0,1]=4 396 B15R1.3779 COC(=O)CNc1ccc(c(c1)O)OC 34a_100000211920_100000747449 [0,1,0,0,0,0|1,0,1]=3 397 B15R1.3779 COC(=O)COc1ccc(c(c1)Br)OC 34a_100010234764_100000747449 [0,1,0,0,0,0|2,0,1]=4 398 B15R1.3779 COC(=O)COc1ccc(c(c1)Br)OC 7a_100010234764_100000747449 [0,1,0,0,0,0|2,0,1]=4 399 B15R1.3779 COC(=O)COc1ccc(c(c1)C)OC 34a_100000759738_100000747449 [0,1,0,0,0,0|2,0,1]=4 400 B15R1.3779 COC(=O)COc1ccc(c(c1)C)OC 7a_100000759738_100000747449 [0,1,0,0,0,0|2,0,1]=4 401 B15R1.3779 COC(=O)COc1ccc(c(c1)Cl)OC 34a_200009861682_100000747449 [0,1,0,0,0,0|2,0,1]=4 402 B15R1.3779 COC(=O)COc1ccc(c(c1)Cl)OC 7a_200009861682_100000747449 [0,1,0,0,0,0|2,0,1]=4 403 B15R1.3779 COC(=O)COc1ccc(c(c1)F)OC 34a_100000746305_100000747449 [0,1,0,0,0,0|2,0,1]=4 404 B15R1.3779 COC(=O)COc1ccc(c(c1)F)OC 7a_100000746305_100000747449 [0,1,0,0,0,0|2,0,1]=4 405 B15R1.3779 COC(=O)COc1ccc(c(c1)I)OC 34a_100010084122_100000747449 [0,1,0,0,0,0|2,0,1]=4 406 B15R1.3779 COC(=O)COc1ccc(c(c1)I)OC 7a_100010084122_100000747449 [0,1,0,0,0,0|2,0,1]=4 407 B15R1.3779 COC(=O)CSc1cc(c(cn1)OC)O 62a_100000747449_100010264082 [0,1,0,0,0,0|2,0,1]=4 408 B15R1.3779 COC(=O)CSc1ccc(c(c1)Br)OC 62a_100000747449_100011249507 [0,1,0,0,0,0|2,0,1]=4 409 B15R1.3779 COC(=O)CSc1ccc(c(c1)Br)OC 62a_100011249507_100000747449 [0,1,0,0,0,0|2,0,1]=4 410 B15R1.3779 COC(=O)CSc1ccc(c(c1)C)OC 62a_100000747449_100011219705 [0,1,0,0,0,0|2,0,1]=4 411 B15R1.3779 COC(=O)CSc1ccc(c(c1)C)OC 62a_100011219705_100000747449 [0,1,0,0,0,0|2,0,1]=4 412 B15R1.3779 COC(=O)CSc1ccc(c(c1)Cl)OC 62a_100000747449_100012355395 [0,1,0,0,0,0|2,0,1]=4 413 B15R1.3779 COC(=O)CSc1ccc(c(c1)Cl)OC 62a_100012355395_100000747449 [0,1,0,0,0,0|2,0,1]=4 414 B15R1.3779 COC(=O)CSc1ccc(c(c1)F)OC 62a_100000171752_100000747449 [0,1,0,0,0,0|2,0,1]=4 415 B15R1.3779 COC(=O)CSc1ccc(c(c1)F)OC 62a_100000747449_100000171752 [0,1,0,0,0,0|2,0,1]=4 416 B15R1.3779 COC(=O)CSc1ccc(c(c1)N)OC 62a_100000747449_100011249504 [0,1,0,0,0,0|2,0,1]=4 417 B15R1.3779 COC(=O)CSc1ccc(c(c1)N)OC 62a_100011249504_100000747449 [0,1,0,0,0,0|2,0,1]=4 418 B15R1.3779 COC(=O)CSc1ccc(c(c1)O)OC 62a_100000747449_100009816560 [0,1,0,0,0,0|1,0,1]=3 419 B15R1.3779 COC(=O)CSc1cnc(c(c1)O)OC 62a_100000747449_100010135713 [0,1,0,0,0,0|2,0,1]=4 420 B15R1.3779 COc1ccc(cc1Br)C=CC(=O)CBr 6a_100000173361_100009888967 [0,1,0,0,0,0|2,0,0]=3 421 B15R1.3779 COc1ccc(cc1Br)C=CC(=O)CCl 6a_100000173361_100000086384 [0,1,0,0,0,0|2,0,0]=3 422 B15R1.3779 COc1ccc(cc1Br)C=CC(=O)CF 1458a_200000186738_100015361967 [0,1,0,0,0,0|2,0,0]=3 423 B15R1.3779 COc1ccc(cc1Br)C=CC(=O)CF 6a_100000173361_100000764096 [0,1,0,0,0,0|2,0,0]=3 424 B15R1.3779 COc1ccc(cc1Br)CNC(=O)CO 240690a_100159240714_100000210174 [0,1,0,0,0,0|2,0,1]=4 425 B15R1.3779 COc1ccc(cc1Br)CNC(=O)CO 527a_100159240714_100000210174 [0,1,0,0,0,0|2,0,1]=4 426 B15R1.3779 COc1ccc(cc1C)C=CC(=O)CBr 6a_100000239718_100009888967 [0,1,0,0,0,0|2,0,0]=3 427 B15R1.3779 COc1ccc(cc1C)C=CC(=O)CCl 6a_100000239718_100000086384 [0,1,0,0,0,0|2,0,0]=3 428 B15R1.3779 COc1ccc(cc1C)C=CC(=O)CF 1458a_100116352456_100015361967 [0,1,0,0,0,0|2,0,0]=3 429 B15R1.3779 COc1ccc(cc1C)C=CC(=O)CF 6a_100000239718_100000764096 [0,1,0,0,0,0|2,0,0]=3 430 B15R1.3779 COc1ccc(cc1C)CNC(=O)CO 240690a_100102679029_100000210174 [0,1,0,0,0,0|2,0,1]=4 431 B15R1.3779 COc1ccc(cc1C)CNC(=O)CO 527a_100102679029_100000210174 [0,1,0,0,0,0|2,0,1]=4 432 B15R1.3779 COc1ccc(cc1Cl)C=CC(=O)CBr 6a_100000186747_100009888967 [0,1,0,0,0,0|2,0,0]=3 433 B15R1.3779 COc1ccc(cc1Cl)C=CC(=O)CCl 6a_100000186747_100000086384 [0,1,0,0,0,0|2,0,0]=3 434 B15R1.3779 COc1ccc(cc1Cl)C=CC(=O)CF 1458a_100000735007_100015361967 [0,1,0,0,0,0|2,0,0]=3 435 B15R1.3779 COc1ccc(cc1Cl)C=CC(=O)CF 6a_100000186747_100000764096 [0,1,0,0,0,0|2,0,0]=3 436 B15R1.3779 COc1ccc(cc1Cl)CNC(=O)CO 240690a_100000008799_100000210174 [0,1,0,0,0,0|2,0,1]=4 437 B15R1.3779 COc1ccc(cc1Cl)CNC(=O)CO 527a_100000008799_100000210174 [0,1,0,0,0,0|2,0,1]=4 438 B15R1.3779 COc1ccc(cc1Cl)NNC(=O)CO 22a_100000699481_100000210174 [0,1,0,0,0,0|3,0,0]=4 439 B15R1.3779 COc1ccc(cc1F)C=CC(=O)CBr 6a_100000204617_100009888967 [0,1,0,0,0,0|2,0,0]=3 440 B15R1.3779 COc1ccc(cc1F)C=CC(=O)CCl 6a_100000204617_100000086384 [0,1,0,0,0,0|2,0,0]=3 441 B15R1.3779 COc1ccc(cc1F)C=CC(=O)CF 1458a_100102526129_100015361967 [0,1,0,0,0,0|2,0,0]=3 442 B15R1.3779 COc1ccc(cc1F)C=CC(=O)CF 6a_100000204617_100000764096 [0,1,0,0,0,0|2,0,0]=3 443 B15R1.3779 COc1ccc(cc1F)CNC(=O)CO 240690a_100000737316_100000210174 [0,1,0,0,0,0|2,0,1]=4 444 B15R1.3779 COc1ccc(cc1F)CNC(=O)CO 527a_100000737316_100000210174 [0,1,0,0,0,0|2,0,1]=4 445 B15R1.3779 COc1ccc(cc1I)C=CC(=O)CBr 6a_100009827998_100009888967 [0,1,0,0,0,0|2,0,0]=3 446 B15R1.3779 COc1ccc(cc1I)C=CC(=O)CCl 6a_100009827998_100000086384 [0,1,0,0,0,0|2,0,0]=3 447 B15R1.3779 COc1ccc(cc1I)C=CC(=O)CF 6a_100009827998_100000764096 [0,1,0,0,0,0|2,0,0]=3 448 B15R1.3779 COc1ccc(cc1O)C=CC(=O)CF 1458a_100000184920_100015361967 [0,1,0,0,0,0|1,0,0]=2 449 B15R1.3779 COc1ccc(cc1O)CCC(=O)CF 1458a_100000746301_100015361967 [0,1,0,0,0,0|1,0,2]=4 450 B15R1.3779 COc1ccc(cc1O)CNC(=O)CO 240690a_100000740000_100000210174 [0,1,0,0,0,0|1,0,1]=3 451 B15R1.3779 COc1ccc(cc1O)CNC(=O)CO 527a_100000740000_100000210174 [0,1,0,0,0,0|1,0,1]=3 452 B15R1.3779 COc1ncc(cc1F)C=CC(=O)CBr 6a_100000081167_100009888967 [0,1,0,0,0,0|3,0,0]=4 453 B15R1.3779 COc1ncc(cc1F)C=CC(=O)CCl 6a_100000081167_100000086384 [0,1,0,0,0,0|3,0,0]=4 454 B15R1.3779 COc1ncc(cc1F)C=CC(=O)CF 6a_100000081167_100000764096 [0,1,0,0,0,0|3,0,0]=4 455 B15R1.5380 CC(=O)c1ccc(cc1O)C=CC(C)O 271570a_200011019289_100000188348 [0,1,0,0,0,0|2,0,1]=4 456 B15R1.9550 CCOc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100011308936 [0,1,0,0,0,0|2,0,1]=4 457 B15R1.9550 CCOc1ccc(cc1F)C=CC(C)O 271570a_200011019289_200000171753 [0,1,0,0,0,0|2,0,1]=4 458 B15R1.9550 CCOc1ccc(cc1N)C=CC(C)O 271570a_200011019289_100000751366 [0,1,0,0,0,0|2,0,1]=4 459 B15R1.9550 COCc1ccc(cc1N)C=CC(C)O 271570a_200011019289_100013084866 [0,1,0,0,0,0|2,0,1]=4 460 B15R1.12854 C=Cc1cc(ccc1OC)/C=C/C(=O)C 271570a_100011290941_200016254069 [0,1,0,0,0,0|2,0,0]=3 461 B15R1.12854 CCc1cc(ccc1OC)C=CC(C)O 271570a_200011019289_200010179862 [0,1,0,0,0,0|2,0,1]=4 462 B15R1.12854 CCc1ccc(cc1CO)C=CC(C)O 271570a_200011019289_100010766240 [0,1,0,0,0,0|2,0,1]=4 463 B15R1.12854 CCc1ccc(cc1OC)C=CC(C)O 271570a_200011019289_200010710398 [0,1,0,0,0,0|2,0,1]=4 464 B15R1.12854 COc1cc(ccc1O[13CH3])/C=C/C(=O)C 34a_100102526088_200025704644 [0,1,0,0,0,0|1,0,0]=2 465 B15R1.12854 COc1cc(ccc1O[13CH3])C=C[N+](=O)[O-] 34a_200103042931_200025704644 [0,1,0,0,0,0|1,0,1]=3 466 B15R1.12854 COc1cc(ccc1O[13CH3])CCC(=O)C 34a_100011290831_200025704644 [0,1,0,0,0,0|1,0,2]=4 467 B15R1.12854 COc1cc(ccc1O[13CH3])CCC(=O)C 7a_100011290831_200025704644 [0,1,0,0,0,0|1,0,2]=4 468 B15R1.12854 COc1cc(ccc1O[13CH3])CNC(=O)C 34a_100000046322_200025704644 [0,1,0,0,0,0|2,0,1]=4 469 B15R1.12854 COc1cc(ccc1O[13CH3])CNC(=O)C 7a_100000046322_200025704644 [0,1,0,0,0,0|2,0,1]=4 470 B15R1.12854 COc1cc(ccc1SC)C=CC(C)O 271570a_200011019289_200011001119 [0,1,0,0,0,0|1,1,1]=4 471 B15R1.12854 COc1cc(cnc1OC)C=CC(C)O 271570a_200011019289_100010234541 [0,1,0,0,0,0|2,0,1]=4 472 B15R1.12854 COc1ccc(cc1C#N)C=CC(C)O 271570a_200011019289_100000188252 [0,1,0,0,0,0|2,0,1]=4 473 B15R1.12854 COc1ccc(cc1C=O)C=CC(C)O 271570a_200011019289_100000170026 [0,1,0,0,0,0|1,0,2]=4 474 B15R1.12854 COc1ccc(cc1CN)C=CC(C)O 271570a_200011019289_100000690498 [0,1,0,0,0,0|2,0,1]=4 475 B15R1.12854 COc1ccc(cc1CO)C=CC(C)C 271570a_100016257149_100000204679 [0,1,0,0,0,0|2,0,1]=4 476 B15R1.12854 COc1ccc(cc1CO)C=CC(C)O 271570a_200011019289_100000204679 [0,1,0,0,0,0|1,0,1]=3 477 B15R1.12854 COc1ccc(cc1CO)SCC(=O)N 62a_100000204679_100000747473 [0,1,0,0,0,0|2,0,1]=4 478 B15R1.12854 COc1ccc(cc1CO)SCC(=O)N 62a_100000747473_100000204679 [0,1,0,0,0,0|2,0,1]=4 479 B15R1.12854 COc1ccc(cc1CO)SCC(=O)[O-] 62a_100000204679_100020667443 [0,1,0,0,0,0|1,0,2]=4 480 B15R1.12854 COc1ccc(cc1CO)SCC(=O)[O-] 62a_100020667443_100000204679 [0,1,0,0,0,0|1,0,2]=4 481 B15R1.12854 COc1ccc(cc1OC)/C=C/C(=O)C 34a_100102526088_200000210301 [0,1,0,0,0,0|1,0,0]=2 482 B15R1.12854 COc1ccc(cc1OC)/C=C/[N+](=O)[O-] 34a_100016278493_200000210301 [0,1,0,0,0,0|1,0,1]=3 483 B15R1.12854 COc1ccc(cc1OC)C=CC(=O)C 1458a_100015194992_200000210301 [0,1,0,0,0,0|1,0,0]=2 484 B15R1.12854 COc1ccc(cc1OC)C=CC(=O)[13CH3] 1458a_100015194992_200025704644 [0,1,0,0,0,0|1,0,0]=2 485 B15R1.12854 COc1ccc(cc1OC)C=CC(C)C 271570a_100016257149_100000187503 [0,1,0,0,0,0|2,0,1]=4 486 B15R1.12854 COc1ccc(cc1OC)C=CC(C)O 271570a_200011019289_100000187503 [0,1,0,0,0,0|1,0,1]=3 487 B15R1.12854 COc1ccc(cc1OC)C=C[N+](=O)[O-] 34a_200103042931_200000210301 [0,1,0,0,0,0|1,0,1]=3 488 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 1458a_100000070787_100011740610 [0,1,0,0,0,0|1,0,2]=4 489 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 1458a_100000187252_200000210301 [0,1,0,0,0,0|1,0,2]=4 490 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 34a_100011290831_200000210301 [0,1,0,0,0,0|1,0,2]=4 491 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 7a_100011290831_200000210301 [0,1,0,0,0,0|1,0,2]=4 492 B15R1.12854 COc1ccc(cc1OC)CCC(=O)[13CH3] 1458a_100000187252_200025704644 [0,1,0,0,0,0|1,0,2]=4 493 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 11a_100000185555_100015343762 [0,1,0,0,0,0|2,0,1]=4 494 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 1626a_100000185555_100015343762 [0,1,0,0,0,0|2,0,1]=4 495 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 240690a_100000185555_100015343762 [0,1,0,0,0,0|2,0,1]=4 496 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 34a_100000046322_200000210301 [0,1,0,0,0,0|2,0,1]=4 497 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 527a_100000185555_100103153847 [0,1,0,0,0,0|2,0,1]=4 498 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 7a_100000046322_200000210301 [0,1,0,0,0,0|2,0,1]=4 499 B15R1.12854 COc1ccc(cc1OC)NCC(=O)N 34a_100000187404_100000187820 [0,1,0,0,0,0|2,0,1]=4 500 B15R1.12854 COc1ccc(cc1OC)NCC(=O)[O-] 34a_100000187404_100020667443 [0,1,0,0,0,0|1,0,2]=4 501 B15R1.12854 COc1ccc(cc1OC)OCC(=O)N 34a_100000039706_100000187820 [0,1,0,0,0,0|2,0,1]=4 502 B15R1.12854 COc1ccc(cc1OC)OCC(=O)[O-] 34a_100000039706_100020667443 [0,1,0,0,0,0|1,0,2]=4 503 B15R1.12854 COc1ccc(cc1OC)SCC(=O)N 62a_100000747473_100011356967 [0,1,0,0,0,0|2,0,1]=4 504 B15R1.12854 COc1ccc(cc1OC)SCC(=O)[O-] 62a_100020667443_100011356967 [0,1,0,0,0,0|1,0,2]=4 505 B15R1.12854 COc1ccc(cc1O[13CH3])/C=C/[N+](=O)[O-] 34a_100016278493_200025704644 [0,1,0,0,0,0|1,0,1]=3 506 B15R1.12854 COc1ccc(cc1SC)/C=C/C(=O)C 62a_200000210301_200016254069 [0,1,0,0,0,0|1,1,0]=3 507 B15R1.12854 COc1ccc(cc1SC)/C=C/C(=O)C 62a_200016254069_200000210301 [0,1,0,0,0,0|1,1,0]=3 508 B15R1.12854 COc1ccc(cc1SC)C=CC(C)O 271570a_200011019289_200009892704 [0,1,0,0,0,0|1,1,1]=4 509 B15R1.12854 COc1ccc(cc1S[13CH3])/C=C/C(=O)C 62a_200016254069_200025704644 [0,1,0,0,0,0|1,1,0]=3 510 B15R1.12854 COc1ccc(cc1S[13CH3])/C=C/C(=O)C 62a_200025704644_200016254069 [0,1,0,0,0,0|1,1,0]=3 511 B15R1.12854 COc1ccc(nc1OC)C=CC(C)O 271570a_200011019289_100010214848 [0,1,0,0,0,0|2,0,1]=4 512 B15R1.12854 COc1ncc(cc1CO)C=CC(C)O 271570a_200011019289_100000695684 [0,1,0,0,0,0|2,0,1]=4 513 B15R1.21573 COc1c(cc(cc1Br)C=CC(C)O)C 271570a_200011019289_100010997178 [0,1,0,0,0,0|2,0,1]=4 514 B15R1.21573 COc1c(cc(cc1C)C=CC(C)O)C 271570a_200011019289_100000211903 [0,1,0,0,0,0|2,0,1]=4 515 B15R1.21573 COc1c(cc(cc1Cl)C=CC(C)O)Cl 271570a_200011019289_200010110313 [0,1,0,0,0,0|2,0,1]=4 516 B15R1.21573 COc1c(cc(cc1F)C=CC(C)O)F 271570a_200011019289_100009813559 [0,1,0,0,0,0|2,0,1]=4 517 B15R1.21573 COc1c(cc(cc1F)C=CC(C)O)N 271570a_200011019289_200010245146 [0,1,0,0,0,0|2,0,1]=4 518 B15R2.4774 COc1ccc2ccc(cc2c1O)C 271570a_203496583355_203437268721 [0,0,0,1,0,0|2,0,0]=3 519 B15R2.7688 CC(=O)C=Cc1ccc2c(c1)CCO2 1458a_100000241297_200000210301 [0,0,0,1,0,0|2,0,0]=3 520 B15R2.7688 CC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_200000210301 [0,0,0,1,0,0|1,0,0]=2 521 B15R2.7688 CC(=O)CCc1ccc2c(c1)OCO2 1458a_100000235677_200000210301 [0,0,0,1,0,0|1,0,2]=4 522 B15R2.7688 CC(=O)COc1ccc2c(c1)OCO2 1458a_100000246017_200000210301 [0,0,0,1,0,0|2,0,1]=4 523 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 11a_100000210006_100015343762 [0,0,0,1,0,0|2,0,1]=4 524 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 1626a_100000210006_100015343762 [0,0,0,1,0,0|2,0,1]=4 525 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 240690a_100000210006_100015343762 [0,0,0,1,0,0|2,0,1]=4 526 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 527a_100000210006_100103153847 [0,0,0,1,0,0|2,0,1]=4 527 B15R2.7688 CC(C)C=Cc1ccc2c(c1)OCO2 271570a_100016257149_100000688060 [0,0,0,1,0,0|2,0,1]=4 528 B15R2.7688 CC(O)C=Cc1ccc2c(c1)CCO2 271570a_200011019289_100000729065 [0,0,0,1,0,0|2,0,1]=4 529 B15R2.7688 CC(O)C=Cc1ccc2c(c1)OCC2 271570a_200011019289_100009818566 [0,0,0,1,0,0|2,0,1]=4 530 B15R2.7688 CC(O)C=Cc1ccc2c(c1)OCO2 271570a_200011019289_100000688060 [0,0,0,1,0,0|1,0,1]=3 531 B15R2.7688 NC(=O)CNc1ccc2c(c1)OCO2 2230a_100000209953_100000747473 [0,0,0,1,0,0|2,0,1]=4 532 B15R2.7688 NC(=O)CNc1ccc2c(c1)OCO2 34a_100000209953_100000187820 [0,0,0,1,0,0|2,0,1]=4 533 B15R2.7688 NC(=O)COc1ccc2c(c1)OCO2 34a_100000210298_100000187820 [0,0,0,1,0,0|2,0,1]=4 534 B15R2.7688 O=C([O-])CNc1ccc2c(c1)OCO2 34a_100000209953_100020667443 [0,0,0,1,0,0|1,0,2]=4 535 B15R2.7688 O=C([O-])COc1ccc2c(c1)OCO2 34a_100000210298_100020667443 [0,0,0,1,0,0|1,0,2]=4 536 B15R2.7688 [13CH3]C(=O)C=Cc1ccc2c(c1)CCO2 1458a_100000241297_200025704644 [0,0,0,1,0,0|2,0,0]=3 537 B15R2.7688 [13CH3]C(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_200025704644 [0,0,0,1,0,0|1,0,0]=2 538 B15R2.7688 [13CH3]C(=O)CCc1ccc2c(c1)OCO2 1458a_100000235677_200025704644 [0,0,0,1,0,0|1,0,2]=4 539 B15R2.7688 [13CH3]C(=O)COc1ccc2c(c1)OCO2 1458a_100000246017_200025704644 [0,0,0,1,0,0|2,0,1]=4 540 B15R2.31892 COc1ccc(cc1O)C=CC2CC2 271570a_100102526188_100009816560 [0,0,0,1,0,0|2,0,1]=4 541 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 34a_100010141077_200025704644 [0,0,0,0,1,0|2,0,1]=4 542 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010141077_200025704644 [0,0,0,0,1,0|2,0,1]=4 543 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 34a_200000080089_200025704644 [0,0,0,0,1,0|2,0,1]=4 544 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 7a_200000080089_200025704644 [0,0,0,0,1,0|2,0,1]=4 545 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 34a_200000080078_200025704644 [0,0,0,0,1,0|2,0,1]=4 546 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 7a_200000080078_200025704644 [0,0,0,0,1,0|2,0,1]=4 547 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 34a_100012186693_200025704644 [0,0,0,0,1,0|3,0,0]=4 548 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 7a_100012186693_200025704644 [0,0,0,0,1,0|3,0,0]=4 549 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 34a_100011215158_200025704644 [0,0,0,0,1,0|3,0,0]=4 550 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 7a_100011215158_200025704644 [0,0,0,0,1,0|3,0,0]=4 551 B13R1.35 COc1ccc(cc1Br)C=C(C)C 271570a_100102525489_100011249507 [0,0,0,0,1,0|3,0,0]=4 552 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100000070787_200011397701 [0,0,0,0,1,0|2,0,1]=4 553 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100011202338_200000210301 [0,0,0,0,1,0|2,0,1]=4 554 B13R1.35 COc1ccc(cc1Br)CC(=O)C 34a_100010141077_200000210301 [0,0,0,0,1,0|2,0,1]=4 555 B13R1.35 COc1ccc(cc1Br)CC(=O)C 7a_100010141077_200000210301 [0,0,0,0,1,0|2,0,1]=4 556 B13R1.35 COc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100011202338_200025704644 [0,0,0,0,1,0|2,0,1]=4 557 B13R1.35 COc1ccc(cc1Br)NC(=O)C 11a_100000187427_100015343762 [0,0,0,0,1,0|3,0,0]=4 558 B13R1.35 COc1ccc(cc1Br)NC(=O)C 1626a_100000187427_100015343762 [0,0,0,0,1,0|3,0,0]=4 559 B13R1.35 COc1ccc(cc1Br)NC(=O)C 22a_100000187427_100000070787 [0,0,0,0,1,0|3,0,0]=4 560 B13R1.35 COc1ccc(cc1Br)NC(=O)C 527a_100000187427_100103153847 [0,0,0,0,1,0|3,0,0]=4 561 B13R1.35 COc1ccc(cc1C)C=C(C)C 271570a_100102525489_100011219705 [0,0,0,0,1,0|3,0,0]=4 562 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100000070787_200011290836 [0,0,0,0,1,0|2,0,1]=4 563 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100011356478_200000210301 [0,0,0,0,1,0|2,0,1]=4 564 B13R1.35 COc1ccc(cc1C)CC(=O)C 34a_200000080089_200000210301 [0,0,0,0,1,0|2,0,1]=4 565 B13R1.35 COc1ccc(cc1C)CC(=O)C 7a_200000080089_200000210301 [0,0,0,0,1,0|2,0,1]=4 566 B13R1.35 COc1ccc(cc1C)CC(=O)[13CH3] 1458a_100011356478_200025704644 [0,0,0,0,1,0|2,0,1]=4 567 B13R1.35 COc1ccc(cc1C)NC(=O)C 11a_100000743268_100015343762 [0,0,0,0,1,0|3,0,0]=4 568 B13R1.35 COc1ccc(cc1C)NC(=O)C 1626a_100000743268_100015343762 [0,0,0,0,1,0|3,0,0]=4 569 B13R1.35 COc1ccc(cc1C)NC(=O)C 22a_100000743268_100000070787 [0,0,0,0,1,0|3,0,0]=4 570 B13R1.35 COc1ccc(cc1C)NC(=O)C 34a_100012186693_200000210301 [0,0,0,0,1,0|3,0,0]=4 571 B13R1.35 COc1ccc(cc1C)NC(=O)C 527a_100000743268_100103153847 [0,0,0,0,1,0|3,0,0]=4 572 B13R1.35 COc1ccc(cc1C)NC(=O)C 7a_100012186693_200000210301 [0,0,0,0,1,0|3,0,0]=4 573 B13R1.35 COc1ccc(cc1Cl)C=C(C)C 271570a_100102525489_100012355395 [0,0,0,0,1,0|3,0,0]=4 574 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100000070787_100000693707 [0,0,0,0,1,0|2,0,1]=4 575 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100012026953_200000210301 [0,0,0,0,1,0|2,0,1]=4 576 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 34a_200000080078_200000210301 [0,0,0,0,1,0|2,0,1]=4 577 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 7a_200000080078_200000210301 [0,0,0,0,1,0|2,0,1]=4 578 B13R1.35 COc1ccc(cc1Cl)CC(=O)[13CH3] 1458a_100012026953_200025704644 [0,0,0,0,1,0|2,0,1]=4 579 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 11a_100000211044_100015343762 [0,0,0,0,1,0|3,0,0]=4 580 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 1626a_100000211044_100015343762 [0,0,0,0,1,0|3,0,0]=4 581 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 22a_100000211044_100000070787 [0,0,0,0,1,0|3,0,0]=4 582 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 34a_100011215158_200000210301 [0,0,0,0,1,0|3,0,0]=4 583 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 527a_100000211044_100103153847 [0,0,0,0,1,0|3,0,0]=4 584 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 7a_100011215158_200000210301 [0,0,0,0,1,0|3,0,0]=4 585 B13R1.35 COc1ccc(cc1F)C=C(C)C 271570a_100102525489_100000185480 [0,0,0,0,1,0|3,0,0]=4 586 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000070787_100000189595 [0,0,0,0,1,0|2,0,1]=4 587 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000204603_200000210301 [0,0,0,0,1,0|2,0,1]=4 588 B13R1.35 COc1ccc(cc1F)CC(=O)[13CH3] 1458a_100000204603_200025704644 [0,0,0,0,1,0|2,0,1]=4 589 B13R1.35 COc1ccc(cc1F)NC(=O)C 11a_100000740183_100015343762 [0,0,0,0,1,0|3,0,0]=4 590 B13R1.35 COc1ccc(cc1F)NC(=O)C 1626a_100000740183_100015343762 [0,0,0,0,1,0|3,0,0]=4 591 B13R1.35 COc1ccc(cc1F)NC(=O)C 22a_100000740183_100000070787 [0,0,0,0,1,0|3,0,0]=4 592 B13R1.35 COc1ccc(cc1F)NC(=O)C 527a_100000740183_100103153847 [0,0,0,0,1,0|3,0,0]=4 593 B13R1.35 COc1ccc(cc1I)NC(=O)C 11a_100011356947_100015343762 [0,0,0,0,1,0|3,0,0]=4 594 B13R1.35 COc1ccc(cc1I)NC(=O)C 1626a_100011356947_100015343762 [0,0,0,0,1,0|3,0,0]=4 595 B13R1.35 COc1ccc(cc1I)NC(=O)C 22a_100011356947_100000070787 [0,0,0,0,1,0|3,0,0]=4 596 B13R1.35 COc1ccc(cc1I)NC(=O)C 527a_100011356947_100103153847 [0,0,0,0,1,0|3,0,0]=4 597 B13R1.35 COc1ccc(cc1N)C=C(C)C 271570a_100102525489_100000743470 [0,0,0,0,1,0|3,0,0]=4 598 B13R1.35 COc1ccc(cc1O)C=C(C)C 271570a_100102525489_100009816560 [0,0,0,0,1,0|2,0,0]=3 599 B13R1.35 COc1ccc(cc1O)CC(=O)C 1458a_100000049095_200000210301 [0,0,0,0,1,0|1,0,1]=3 600 B13R1.35 COc1ccc(cc1O)CC(=O)C 271570a_203496583355_100011493462 [0,0,0,0,1,0|1,0,1]=3 601 B13R1.35 COc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000049095_200025704644 [0,0,0,0,1,0|1,0,1]=3 602 B13R1.35 COc1ccc(cc1O)NC(=O)C 22a_100000211920_100000070787 [0,0,0,0,1,0|2,0,0]=3 603 B13R1.35 COc1ccc(cc1O)NC(=O)C 527a_100000211920_100103153847 [0,0,0,0,1,0|2,0,0]=3 604 B13R1.35 COc1cnc(cc1O)C=C(C)C 271570a_100102525489_100010264082 [0,0,0,0,1,0|3,0,0]=4 605 B13R1.35 COc1ncc(cc1O)C=C(C)C 271570a_100102525489_100010135713 [0,0,0,0,1,0|3,0,0]=4 606 B15R1.3778 COc1ccc(cc1Br)C=NNC(=O)C 4a_100000189765_100000173361 [0,0,0,0,0,1|3,0,0]=4 607 B15R1.3778 COc1ccc(cc1Br)CNCC(=O)O 269956a_100016091260_200011397701 [0,0,0,0,0,1|1,0,2]=4 608 B15R1.3778 COc1ccc(cc1C)C=NNC(=O)C 4a_100000189765_100000239718 [0,0,0,0,0,1|3,0,0]=4 609 B15R1.3778 COc1ccc(cc1C)CNCC(=O)O 269956a_100016091260_200011290836 [0,0,0,0,0,1|1,0,2]=4 610 B15R1.3778 COc1ccc(cc1Cl)C=NNC(=O)C 4a_100000189765_100000186747 [0,0,0,0,0,1|3,0,0]=4 611 B15R1.3778 COc1ccc(cc1Cl)CNCC(=O)O 269956a_100016091260_100000693707 [0,0,0,0,0,1|1,0,2]=4 612 B15R1.3778 COc1ccc(cc1F)C=NNC(=O)C 4a_100000189765_100000204617 [0,0,0,0,0,1|3,0,0]=4 613 B15R1.3778 COc1ccc(cc1F)CNCC(=O)O 269956a_100016091260_100000189595 [0,0,0,0,0,1|1,0,2]=4 614 B15R1.3778 COc1ccc(cc1I)C=NNC(=O)C 4a_100000189765_100009827998 [0,0,0,0,0,1|3,0,0]=4 615 B15R1.3778 COc1ccc(cc1O)C=CCC(C)C 271570a_100016259101_100009816560 [0,0,0,0,0,1|2,0,1]=4 616 B15R1.3778 COc1ccc(cc1O)C=NNC(=O)C 4a_100000189765_100000211151 [0,0,0,0,0,1|2,0,0]=3 617 B15R1.3778 COc1ccc(cc1O)CCNC(=O)C 240690a_100011207234_100015343762 [0,0,0,0,0,1|1,0,2]=4 618 B15R1.3778 COc1ccc(cc1O)CCNC(=O)C 527a_100011207234_100103153847 [0,0,0,0,0,1|1,0,2]=4 619 B15R1.3778 COc1ccc(cc1O)CNCC(=O)N 34a_100000740000_100000187820 [0,0,0,0,0,1|1,0,2]=4 620 B15R1.3778 COc1ccc(cc1O)CNCC(=O)[O-] 34a_100000740000_100020667443 [0,0,0,0,0,1|0,0,3]=4 621 B15R1.3778 COc1ccc(cc1O)NCC=C(C)C 34a_100000211920_100000761012 [0,0,0,0,0,1|2,0,1]=4 622 B15R1.3778 COc1ccc(cc1O)NCCC(=O)N 34a_100000211920_100000731001 [0,0,0,0,0,1|1,0,2]=4 623 B15R1.3778 COc1ccc(cc1O)NCOC(=O)C 34a_100000211920_100009813279 [0,0,0,0,0,1|2,0,1]=4 624 B15R1.3778 COc1ccc(cc1O)SCC=C(C)C 62a_100000761012_100009816560 [0,0,0,0,0,1|2,0,1]=4 625 B15R1.3778 COc1ccc(cc1O)SCCC(=O)C 62a_100000053229_100009816560 [0,0,0,0,0,1|1,0,2]=4 626 B15R1.3778 COc1ccc(cc1O)SCCC(=O)N 62a_100000744528_100009816560 [0,0,0,0,0,1|1,0,2]=4 627 B15R1.3778 COc1ccc(cc1O)SCOC(=O)C 62a_100000076356_100009816560 [0,0,0,0,0,1|2,0,1]=4 628 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [2,0,0,0,0,0|1,0,0]=3 629 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [2,0,0,0,0,0|2,0,0]=4 630 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [2,0,0,0,0,0|1,0,0]=3 631 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [2,0,0,0,0,0|2,0,0]=4 632 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [2,0,0,0,0,0|2,0,0]=4 633 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [2,0,0,0,0,0|2,0,0]=4 634 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [2,0,0,0,0,0|1,0,1]=4 635 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [2,0,0,0,0,0|1,0,0]=3 636 B12R1.21 Cc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000186775 [2,0,0,0,0,0|1,0,1]=4 637 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [2,0,0,0,0,0|2,0,0]=4 638 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [2,0,0,0,0,0|2,0,0]=4 639 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [2,0,0,0,0,0|2,0,0]=4 640 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [2,0,0,0,0,0|2,0,0]=4 641 B12R1.71 COc1ccc(cc1)NCC=O 34a_100000184247_200009817547 [2,0,0,0,0,0|1,0,1]=4 642 B12R1.71 COc1ccc(cc1)OCC=O 34a_100000210503_200009817547 [2,0,0,0,0,0|1,0,1]=4 643 B12R1.71 COc1ccc(cc1)SCC=O 62a_200015260668_100000171711 [2,0,0,0,0,0|1,0,1]=4 644 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_100016291818_200000210301 [2,0,0,0,0,0|0,1,0]=3 645 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_200000210301_100016291818 [2,0,0,0,0,0|0,1,0]=3 646 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_100016291818_200025704644 [2,0,0,0,0,0|0,1,0]=3 647 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_200025704644_100016291818 [2,0,0,0,0,0|0,1,0]=3 648 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [2,0,0,0,0,0|1,0,0]=3 649 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [2,0,0,0,0,0|2,0,0]=4 650 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [2,0,0,0,0,0|2,0,0]=4 651 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [2,0,0,0,0,0|2,0,0]=4 652 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [2,0,0,0,0,0|2,0,0]=4 653 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [2,0,0,0,0,0|2,0,0]=4 654 B12R1.226 CC(O)C=Cc1cccc(c1)O 271570a_200011019289_100000211634 [2,0,0,0,0,0|1,0,1]=4 655 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [2,0,0,0,0,0|2,0,0]=4 656 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [2,0,0,0,0,0|2,0,0]=4 657 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [2,0,0,0,0,0|2,0,0]=4 658 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [2,0,0,0,0,0|2,0,0]=4 659 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [2,0,0,0,0,0|2,0,0]=4 660 B12R1.385 Cc1ccc(cc1O)NCC=O 34a_100000759471_200009817547 [2,0,0,0,0,0|1,0,1]=4 661 B12R1.385 Cc1ccc(cc1O)NCC=O 7a_100000759471_200015260668 [2,0,0,0,0,0|1,0,1]=4 662 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_100000685420_200015260668 [2,0,0,0,0,0|1,0,1]=4 663 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_200015260668_100000685420 [2,0,0,0,0,0|1,0,1]=4 664 B12R1.385 O=CCNc1ccc(c(c1)O)O 34a_100102946323_200009817547 [2,0,0,0,0,0|1,0,1]=4 665 B12R1.385 O=CCSc1ccc(c(c1)O)O 62a_200015260668_100009813601 [2,0,0,0,0,0|1,0,1]=4 666 B12R1.288 C=C=Cc1cc(c(cn1)OC)O 271570a_100015277604_100010264082 [2,0,0,0,0,0|1,0,1]=4 667 B12R1.288 C=C=Cc1ccc(c(c1)Br)OC 271570a_100015277604_100011249507 [2,0,0,0,0,0|1,0,1]=4 668 B12R1.288 C=C=Cc1ccc(c(c1)C)OC 271570a_100015277604_100011219705 [2,0,0,0,0,0|1,0,1]=4 669 B12R1.288 C=C=Cc1ccc(c(c1)Cl)OC 271570a_100015277604_100012355395 [2,0,0,0,0,0|1,0,1]=4 670 B12R1.288 C=C=Cc1ccc(c(c1)F)OC 271570a_100015277604_100000185480 [2,0,0,0,0,0|1,0,1]=4 671 B12R1.288 C=C=Cc1ccc(c(c1)N)OC 271570a_100015277604_100000743470 [2,0,0,0,0,0|1,0,1]=4 672 B12R1.288 C=C=Cc1ccc(c(c1)O)OC 271570a_100015277604_100009816560 [2,0,0,0,0,0|0,0,1]=3 673 B12R1.288 C=C=Cc1cnc(c(c1)O)OC 271570a_100015277604_100010135713 [2,0,0,0,0,0|1,0,1]=4 674 B12R1.288 CC=Cc1cc(c(cn1)OC)O 271570a_100016259895_100010264082 [2,0,0,0,0,0|1,0,1]=4 675 B12R1.288 CC=Cc1ccc(c(c1)Br)OC 271570a_100016259895_100011249507 [2,0,0,0,0,0|1,0,1]=4 676 B12R1.288 CC=Cc1ccc(c(c1)C)OC 271570a_100016259895_100011219705 [2,0,0,0,0,0|1,0,1]=4 677 B12R1.288 CC=Cc1ccc(c(c1)Cl)OC 271570a_100016259895_100012355395 [2,0,0,0,0,0|1,0,1]=4 678 B12R1.288 CC=Cc1ccc(c(c1)F)OC 271570a_100016259895_100000185480 [2,0,0,0,0,0|1,0,1]=4 679 B12R1.288 CC=Cc1ccc(c(c1)N)OC 271570a_100016259895_100000743470 [2,0,0,0,0,0|1,0,1]=4 680 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [2,0,0,0,0,0|0,0,1]=3 681 B12R1.288 CC=Cc1cnc(c(c1)O)OC 271570a_100016259895_100010135713 [2,0,0,0,0,0|1,0,1]=4 682 B12R1.288 COc1ccc(cc1O)CCO 271570a_203496583355_100011962876 [2,0,0,0,0,0|0,0,2]=4 683 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)C 1458a_100000070787_100000212054 [1,1,0,0,0,0|1,0,1]=4 684 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)N 1458a_100000184203_100000187820 [1,1,0,0,0,0|1,0,1]=4 685 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)[O-] 1458a_100000184203_100020667443 [1,1,0,0,0,0|0,0,2]=4 686 B14R1.2 COc1ccc(cc1)N(C)CC(=O)O 269956a_200011202415_200000210301 [1,1,0,0,0,0|1,0,1]=4 687 B14R1.2 COc1ccc(cc1)N([13CH3])CC(=O)O 269956a_200011202415_200025704644 [1,1,0,0,0,0|1,0,1]=4 688 B14R1.3 C/C(=C\c1ccc(cc1)O[13CH3])/[N+](=O)[O-] 34a_200020671538_200025704644 [1,1,0,0,0,0|1,0,1]=4 689 B14R1.3 C/C(=C\c1ccc(cc1)O[13CH3])/[N+](=O)[O-] 7a_200020671538_200025704644 [1,1,0,0,0,0|1,0,1]=4 690 B14R1.3 COc1ccc(cc1)/C=C(\C)/[N+](=O)[O-] 34a_200020671538_200000210301 [1,1,0,0,0,0|1,0,1]=4 691 B14R1.3 COc1ccc(cc1)/C=C(\C)/[N+](=O)[O-] 7a_200020671538_200000210301 [1,1,0,0,0,0|1,0,1]=4 692 B14R1.3 COc1ccc(cc1)NC(=O)C(=O)N 22a_100000184247_100011215815 [1,1,0,0,0,0|2,0,0]=4 693 B14R1.5 C=Cc1ccc(cc1)/C=C/C(=O)OC 271570a_100011290941_100000148628 [1,1,0,0,0,0|1,0,1]=4 694 B14R1.5 CCC(=O)C=Cc1ccc(cc1)CC 1458a_100000187855_100000210202 [1,1,0,0,0,0|2,0,0]=4 695 B14R1.5 CCC(=O)C=Cc1ccc(cc1)OC 1458a_100000184205_100000210202 [1,1,0,0,0,0|1,0,0]=3 696 B14R1.5 CCC(=O)C=Cc1ccc(cc1)SC 1458a_100102526083_100000210202 [1,1,0,0,0,0|1,1,0]=4 697 B14R1.5 CCc1ccc(cc1)C=CC(=O)CF 1458a_100000187855_100015361967 [1,1,0,0,0,0|2,0,0]=4 698 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 11a_106832991635_100000187855 [1,1,0,0,0,0|2,0,0]=4 699 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 1626a_100102657272_100000187855 [1,1,0,0,0,0|2,0,0]=4 700 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 240690a_100102657272_100000187855 [1,1,0,0,0,0|2,0,0]=4 701 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 11a_106832991635_100000184205 [1,1,0,0,0,0|1,0,0]=3 702 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 1626a_100102657272_100000184205 [1,1,0,0,0,0|1,0,0]=3 703 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 527a_100102657272_100000184205 [1,1,0,0,0,0|1,0,0]=3 704 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 11a_106832991635_100102526083 [1,1,0,0,0,0|1,1,0]=4 705 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 1626a_100102657272_100102526083 [1,1,0,0,0,0|1,1,0]=4 706 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 240690a_100102657272_100102526083 [1,1,0,0,0,0|1,1,0]=4 707 B14R1.5 COC(=O)/C=C/c1ccc(cc1)SC 62a_100000148628_200000210301 [1,1,0,0,0,0|0,1,0]=3 708 B14R1.5 COC(=O)/C=C/c1ccc(cc1)SC 62a_200000210301_100000148628 [1,1,0,0,0,0|0,1,0]=3 709 B14R1.5 COC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_100000148628_200025704644 [1,1,0,0,0,0|0,1,0]=3 710 B14R1.5 COC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100000148628 [1,1,0,0,0,0|0,1,0]=3 711 B14R1.5 COC(=O)C=Cc1ccc(cc1)OC 34a_100000151162_200000210301 [1,1,0,0,0,0|0,0,0]=2 712 B14R1.5 COC(=O)C=Cc1ccc(cc1)O[13CH3] 34a_100000151162_200025704644 [1,1,0,0,0,0|0,0,0]=2 713 B14R1.5 COC(=O)CCc1ccc(cc1)OC 34a_100000032826_200000210301 [1,1,0,0,0,0|0,0,2]=4 714 B14R1.5 COC(=O)CCc1ccc(cc1)OC 7a_100000032826_200000210301 [1,1,0,0,0,0|0,0,2]=4 715 B14R1.5 COC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000032826_200025704644 [1,1,0,0,0,0|0,0,2]=4 716 B14R1.5 COC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000032826_200025704644 [1,1,0,0,0,0|0,0,2]=4 717 B14R1.5 COC(=O)CNc1ccc(cc1)OC 34a_100000184247_100000747449 [1,1,0,0,0,0|1,0,1]=4 718 B14R1.5 COC(=O)CNc1ccc(cc1)OC 34a_100016989482_200000210301 [1,1,0,0,0,0|1,0,1]=4 719 B14R1.5 COC(=O)CNc1ccc(cc1)O[13CH3] 34a_100016989482_200025704644 [1,1,0,0,0,0|1,0,1]=4 720 B14R1.5 COC(=O)COc1ccc(cc1)OC 34a_100000210503_100000747449 [1,1,0,0,0,0|1,0,1]=4 721 B14R1.5 COC(=O)CSc1ccc(cc1)OC 62a_100000747449_100000171711 [1,1,0,0,0,0|1,0,1]=4 722 B14R1.5 COc1ccc(cc1)C=CC(=O)CF 1458a_100000184205_100015361967 [1,1,0,0,0,0|1,0,0]=3 723 B14R1.5 COc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100000184700 [1,1,0,0,0,0|0,0,2]=4 724 B14R1.5 COc1ccc(cc1)CNC(=O)CO 240690a_100000185587_100000210174 [1,1,0,0,0,0|1,0,1]=4 725 B14R1.5 COc1ccc(cc1)CNC(=O)CO 527a_100000185587_100000210174 [1,1,0,0,0,0|1,0,1]=4 726 B14R1.5 COc1ccc(cc1)NNC(=O)CO 22a_100000005221_100000210174 [1,1,0,0,0,0|2,0,0]=4 727 B14R1.5 CSc1ccc(cc1)C=CC(=O)CF 1458a_100102526083_100015361967 [1,1,0,0,0,0|1,1,0]=4 728 B14R1.103 COc1ccc(c(c1)Br)C=CC(C)O 271570a_200011019289_100012349170 [1,1,0,0,0,0|1,0,1]=4 729 B14R1.103 COc1ccc(c(c1)C)C=CC(C)O 271570a_200011019289_100000759875 [1,1,0,0,0,0|1,0,1]=4 730 B14R1.103 COc1ccc(c(c1)F)C=CC(=O)C 1458a_200102525171_200000210301 [1,1,0,0,0,0|1,0,0]=3 731 B14R1.103 COc1ccc(c(c1)F)C=CC(=O)[13CH3] 1458a_200102525171_200025704644 [1,1,0,0,0,0|1,0,0]=3 732 B14R1.103 COc1ccc(c(c1)F)C=CC(C)O 271570a_200011019289_100000753793 [1,1,0,0,0,0|1,0,1]=4 733 B14R1.103 COc1ccc(c(c1)N)C=CC(C)O 271570a_200011019289_100000748021 [1,1,0,0,0,0|1,0,1]=4 734 B14R1.103 COc1ccc(c(c1)O)C=CC(C)O 271570a_200011019289_100000719091 [1,1,0,0,0,0|1,0,1]=4 735 B14R1.142 CC(=O)/C=C/c1ccc(cc1)OCF 34a_100000189429_100015361967 [1,1,0,0,0,0|1,0,0]=3 736 B14R1.142 CC(=O)/C=C/c1ccc(cc1)SCF 62a_100015361967_200016259395 [1,1,0,0,0,0|1,1,0]=4 737 B14R1.142 CC(=O)/C=C/c1ccc(cc1)SCF 62a_200016259395_100015361967 [1,1,0,0,0,0|1,1,0]=4 738 B14R1.142 CC=Cc1ccc(cc1)/C=C/C(=O)C 271570a_100016259895_200016259395 [1,1,0,0,0,0|2,0,0]=4 739 B14R1.142 CCOc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_100000210202 [1,1,0,0,0,0|1,0,0]=3 740 B14R1.142 CCOc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_100000210202 [1,1,0,0,0,0|1,0,1]=4 741 B14R1.142 CCOc1ccc(cc1)C=CC(=O)C 1458a_100000690215_200000210301 [1,1,0,0,0,0|1,0,0]=3 742 B14R1.142 CCOc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000690215_200025704644 [1,1,0,0,0,0|1,0,0]=3 743 B14R1.142 CCOc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000169946 [1,1,0,0,0,0|1,0,1]=4 744 B14R1.142 CCSc1ccc(cc1)/C=C/C(=O)C 62a_100000210202_200016259395 [1,1,0,0,0,0|1,1,0]=4 745 B14R1.142 CCSc1ccc(cc1)/C=C/C(=O)C 62a_200016259395_100000210202 [1,1,0,0,0,0|1,1,0]=4 746 B14R1.142 CNCc1ccc(cc1)/C=C/C(=O)C 26a_100102657272_100000189429 [1,1,0,0,0,0|2,0,0]=4 747 B14R1.142 COCc1ccc(cc1)C=CC(C)O 271570a_200011019289_100011493685 [1,1,0,0,0,0|1,0,1]=4 748 B14R1.142 O=[N+]([O-])/C=C/c1ccc(cc1)OCF 34a_100102610870_100015361967 [1,1,0,0,0,0|1,0,1]=4 749 B14R1.211 COc1ccc(cc1)C=CC(C)(C)O 271570a_200016258132_100000171711 [1,1,0,0,0,0|1,0,1]=4 750 B14R1.419 C=C(C)c1ccc(cc1)/C=C/C(=O)C 271570a_100000694244_200016259395 [1,1,0,0,0,0|2,0,0]=4 751 B14R1.419 CC(=O)C=Cc1ccc(cc1)C(C)C 1458a_100000185018_200000210301 [1,1,0,0,0,0|2,0,0]=4 752 B14R1.419 CC(=O)C=Cc1ccc(cc1)N(C)C 1458a_100016270256_200000210301 [1,1,0,0,0,0|2,0,0]=4 753 B14R1.419 CC(C)c1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000185018_200025704644 [1,1,0,0,0,0|2,0,0]=4 754 B14R1.419 CN(C)c1ccc(cc1)C=CC(=O)[13CH3] 1458a_100016270256_200025704644 [1,1,0,0,0,0|2,0,0]=4 755 B14R1.42 CC(O)C=Cc1ccc(c(c1)CO)O 271570a_200011019289_100000184703 [1,1,0,0,0,0|1,0,1]=4 756 B14R1.42 COc1cc(ccc1Br)C=CC(=O)C 1458a_100016267305_200000210301 [1,1,0,0,0,0|2,0,0]=4 757 B14R1.42 COc1cc(ccc1Br)C=CC(=O)[13CH3] 1458a_100016267305_200025704644 [1,1,0,0,0,0|2,0,0]=4 758 B14R1.42 COc1cc(ccc1C)C=CC(C)O 271570a_200011019289_100011830276 [1,1,0,0,0,0|1,0,1]=4 759 B14R1.42 COc1cc(ccc1O)C=CC(=O)C 1458a_100000182119_200000210301 [1,1,0,0,0,0|1,0,0]=3 760 B14R1.42 COc1cc(ccc1O)C=CC(=O)[13CH3] 1458a_100000182119_200025704644 [1,1,0,0,0,0|1,0,0]=3 761 B14R1.42 COc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000694246 [1,1,0,0,0,0|1,0,1]=4 762 B14R1.42 Cc1ccc(cc1CO)C=CC(C)O 271570a_200011019289_100000700630 [1,1,0,0,0,0|1,0,1]=4 763 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)O)O 271570a_200016258132_100009813601 [1,1,0,0,0,0|1,0,1]=4 764 B14R1.684 Cc1ccc(cc1O)C=CC(C)(C)O 271570a_200016258132_100000766334 [1,1,0,0,0,0|1,0,1]=4 765 B14R1.685 CC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000070787_100000183813 [1,1,0,0,0,0|1,0,1]=4 766 B14R1.685 Cc1ccc(cc1O)C(=O)CC(=O)N 1458a_100000233767_100000187820 [1,1,0,0,0,0|1,0,1]=4 767 B14R1.685 Cc1ccc(cc1O)C(=O)CC(=O)[O-] 1458a_100000233767_100020667443 [1,1,0,0,0,0|0,0,2]=4 768 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000187820 [1,1,0,0,0,0|1,0,1]=4 769 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100020667443 [1,1,0,0,0,0|0,0,2]=4 770 B14R1.686 Cc1ccc(cc1O)NC(=O)C(=O)N 22a_100000759471_100011215815 [1,1,0,0,0,0|2,0,0]=4 771 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100011215815 [1,1,0,0,0,0|2,0,0]=4 772 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000210202 [1,1,0,0,0,0|2,0,0]=4 773 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_100000210202 [1,1,0,0,0,0|2,0,0]=4 774 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)C 6a_100000229942_100000211110 [1,1,0,0,0,0|2,0,0]=4 775 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)C 6a_100000760539_100000211110 [1,1,0,0,0,0|2,0,0]=4 776 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000210202 [1,1,0,0,0,0|2,0,0]=4 777 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100000211110 [1,1,0,0,0,0|2,0,0]=4 778 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_100000210202 [1,1,0,0,0,0|2,0,0]=4 779 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)C 6a_100000753222_100000211110 [1,1,0,0,0,0|2,0,0]=4 780 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100000211110 [1,1,0,0,0,0|2,0,0]=4 781 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)C 6a_100010197721_100000211110 [1,1,0,0,0,0|2,0,0]=4 782 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100000211110 [1,1,0,0,0,0|2,0,0]=4 783 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100000211110 [1,1,0,0,0,0|2,0,0]=4 784 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100000211110 [1,1,0,0,0,0|2,0,0]=4 785 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100000211110 [1,1,0,0,0,0|2,0,0]=4 786 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100102657272_200103079279 [1,1,0,0,0,0|2,0,0]=4 787 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)C 11a_106832991635_100011338269 [1,1,0,0,0,0|2,0,0]=4 788 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)C 1626a_100102657272_100011338269 [1,1,0,0,0,0|2,0,0]=4 789 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)C 240690a_100102657272_100011338269 [1,1,0,0,0,0|2,0,0]=4 790 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100102657272_200103117615 [1,1,0,0,0,0|2,0,0]=4 791 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)C 11a_106832991635_100102526211 [1,1,0,0,0,0|2,0,0]=4 792 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)C 1626a_100102657272_100102526211 [1,1,0,0,0,0|2,0,0]=4 793 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)C 240690a_100102657272_100102526211 [1,1,0,0,0,0|2,0,0]=4 794 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100102657272_100011195073 [1,1,0,0,0,0|1,0,0]=3 795 B14R1.833 COC(=O)CNc1ccc(c(c1)O)C 34a_100000759471_100000747449 [1,1,0,0,0,0|1,0,1]=4 796 B14R1.833 COC(=O)CNc1ccc(c(c1)O)C 7a_100000759471_100000747449 [1,1,0,0,0,0|1,0,1]=4 797 B14R1.833 COC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000747449 [1,1,0,0,0,0|1,0,1]=4 798 B14R1.833 COC(=O)CSc1ccc(c(c1)O)C 62a_100000685420_100000747449 [1,1,0,0,0,0|1,0,1]=4 799 B14R1.833 COC(=O)CSc1ccc(c(c1)O)C 62a_100000747449_100000685420 [1,1,0,0,0,0|1,0,1]=4 800 B14R1.833 COC(=O)CSc1ccc(c(c1)O)O 62a_100000747449_100009813601 [1,1,0,0,0,0|1,0,1]=4 801 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CBr 6a_100000229942_100009888967 [1,1,0,0,0,0|2,0,0]=4 802 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CCl 6a_100000229942_100000086384 [1,1,0,0,0,0|2,0,0]=4 803 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CF 1458a_100011338269_100015361967 [1,1,0,0,0,0|2,0,0]=4 804 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CF 6a_100000229942_100000764096 [1,1,0,0,0,0|2,0,0]=4 805 B14R1.833 Cc1ccc(cc1Cl)C=CC(=O)CBr 6a_100000760539_100009888967 [1,1,0,0,0,0|2,0,0]=4 806 B14R1.833 Cc1ccc(cc1Cl)C=CC(=O)CCl 6a_100000760539_100000086384 [1,1,0,0,0,0|2,0,0]=4 807 B14R1.833 Cc1ccc(cc1Cl)C=CC(=O)CF 6a_100000760539_100000764096 [1,1,0,0,0,0|2,0,0]=4 808 B14R1.833 Cc1ccc(cc1F)C=CC(=O)CBr 6a_100000753222_100009888967 [1,1,0,0,0,0|2,0,0]=4 809 B14R1.833 Cc1ccc(cc1F)C=CC(=O)CCl 6a_100000753222_100000086384 [1,1,0,0,0,0|2,0,0]=4 810 B14R1.833 Cc1ccc(cc1F)C=CC(=O)CF 1458a_100102526211_100015361967 [1,1,0,0,0,0|2,0,0]=4 811 B14R1.833 Cc1ccc(cc1F)C=CC(=O)CF 6a_100000753222_100000764096 [1,1,0,0,0,0|2,0,0]=4 812 B14R1.833 Cc1ccc(cc1I)C=CC(=O)CBr 6a_100010197721_100009888967 [1,1,0,0,0,0|2,0,0]=4 813 B14R1.833 Cc1ccc(cc1I)C=CC(=O)CCl 6a_100010197721_100000086384 [1,1,0,0,0,0|2,0,0]=4 814 B14R1.833 Cc1ccc(cc1I)C=CC(=O)CF 6a_100010197721_100000764096 [1,1,0,0,0,0|2,0,0]=4 815 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)O)CF 1458a_200103079279_100015361967 [1,1,0,0,0,0|2,0,0]=4 816 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CBr 6a_100000186751_100009888967 [1,1,0,0,0,0|2,0,0]=4 817 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CCl 6a_100000186751_100000086384 [1,1,0,0,0,0|2,0,0]=4 818 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CF 1458a_200103117615_100015361967 [1,1,0,0,0,0|2,0,0]=4 819 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CF 6a_100000186751_100000764096 [1,1,0,0,0,0|2,0,0]=4 820 B14R1.833 O=C(C=Cc1ccc(c(c1)F)O)CBr 6a_100000742332_100009888967 [1,1,0,0,0,0|2,0,0]=4 821 B14R1.833 O=C(C=Cc1ccc(c(c1)F)O)CCl 6a_100000742332_100000086384 [1,1,0,0,0,0|2,0,0]=4 822 B14R1.833 O=C(C=Cc1ccc(c(c1)F)O)CF 6a_100000742332_100000764096 [1,1,0,0,0,0|2,0,0]=4 823 B14R1.833 O=C(C=Cc1ccc(c(c1)I)O)CBr 6a_100000186752_100009888967 [1,1,0,0,0,0|2,0,0]=4 824 B14R1.833 O=C(C=Cc1ccc(c(c1)I)O)CCl 6a_100000186752_100000086384 [1,1,0,0,0,0|2,0,0]=4 825 B14R1.833 O=C(C=Cc1ccc(c(c1)I)O)CF 6a_100000186752_100000764096 [1,1,0,0,0,0|2,0,0]=4 826 B14R1.833 O=C(C=Cc1ccc(c(c1)O)Cl)CBr 6a_100009876013_100009888967 [1,1,0,0,0,0|2,0,0]=4 827 B14R1.833 O=C(C=Cc1ccc(c(c1)O)Cl)CCl 6a_100009876013_100000086384 [1,1,0,0,0,0|2,0,0]=4 828 B14R1.833 O=C(C=Cc1ccc(c(c1)O)Cl)CF 6a_100009876013_100000764096 [1,1,0,0,0,0|2,0,0]=4 829 B14R1.833 O=C(C=Cc1ccc(c(c1)O)F)CBr 6a_100000102368_100009888967 [1,1,0,0,0,0|2,0,0]=4 830 B14R1.833 O=C(C=Cc1ccc(c(c1)O)F)CCl 6a_100000102368_100000086384 [1,1,0,0,0,0|2,0,0]=4 831 B14R1.833 O=C(C=Cc1ccc(c(c1)O)F)CF 6a_100000102368_100000764096 [1,1,0,0,0,0|2,0,0]=4 832 B14R1.833 O=C(C=Cc1ccc(c(c1)O)I)CBr 6a_100000041418_100009888967 [1,1,0,0,0,0|2,0,0]=4 833 B14R1.833 O=C(C=Cc1ccc(c(c1)O)I)CCl 6a_100000041418_100000086384 [1,1,0,0,0,0|2,0,0]=4 834 B14R1.833 O=C(C=Cc1ccc(c(c1)O)I)CF 6a_100000041418_100000764096 [1,1,0,0,0,0|2,0,0]=4 835 B14R1.833 O=C(CO)CCc1ccc(c(c1)O)O 1458a_100000210174_200010393615 [1,1,0,0,0,0|0,0,2]=4 836 B14R1.833 O=C(CO)NCc1ccc(c(c1)O)O 240690a_100000010075_100000210174 [1,1,0,0,0,0|1,0,1]=4 837 B14R1.6036 CC(=O)C=Cc1cc(c(cc1C)C)C 1458a_100000739386_200000210301 [1,1,0,0,0,0|2,0,0]=4 838 B14R1.6036 Cc1cc(c(cc1C)C=CC(=O)[13CH3])C 1458a_100000739386_200025704644 [1,1,0,0,0,0|2,0,0]=4 839 B14R1.6036 Cc1cc(c(cc1O)C=CC(C)O)F 271570a_200011019289_100014242602 [1,1,0,0,0,0|1,0,1]=4 840 B14R1.628 C=CCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210623 [1,1,0,0,0,0|1,0,1]=4 841 B14R1.628 COc1ccc(cc1O)C(=O)CCO 1458a_100000766810_100000211926 [1,1,0,0,0,0|0,0,2]=4 842 B14R1.793 COc1cc(ccc1O[13CH3])/C=C\CO 34a_100016294963_200025704644 [1,1,0,0,0,0|0,0,1]=3 843 B14R1.793 COc1ccc(cc1CO)SCC=O 62a_100000204679_200015260668 [1,1,0,0,0,0|1,0,1]=4 844 B14R1.793 COc1ccc(cc1CO)SCC=O 62a_200015260668_100000204679 [1,1,0,0,0,0|1,0,1]=4 845 B14R1.793 COc1ccc(cc1OC)/C=C/CO 34a_100102524974_200000210301 [1,1,0,0,0,0|0,0,1]=3 846 B14R1.793 COc1ccc(cc1OC)/C=C\CO 34a_100016294963_200000210301 [1,1,0,0,0,0|0,0,1]=3 847 B14R1.793 COc1ccc(cc1OC)NCC=O 34a_100000187404_200009817547 [1,1,0,0,0,0|1,0,1]=4 848 B14R1.793 COc1ccc(cc1OC)OCC=O 34a_100000039706_200009817547 [1,1,0,0,0,0|1,0,1]=4 849 B14R1.793 COc1ccc(cc1OC)SCC=O 62a_200015260668_100011356967 [1,1,0,0,0,0|1,0,1]=4 850 B14R1.793 COc1ccc(cc1O[13CH3])/C=C/CO 34a_100102524974_200025704644 [1,1,0,0,0,0|0,0,1]=3 851 B14R1.909 C/C=C/CNc1ccc(c(c1)O)OC 34a_100000211920_100102629194 [1,1,0,0,0,0|1,0,1]=4 852 B14R1.909 C/C=C/CSc1ccc(c(c1)O)OC 62a_100102629194_100009816560 [1,1,0,0,0,0|1,0,1]=4 853 B14R1.909 CC=CCNc1ccc(c(c1)O)OC 34a_100000211920_100000070051 [1,1,0,0,0,0|1,0,1]=4 854 B14R1.909 CC=CCSc1ccc(c(c1)O)OC 62a_100000070051_100009816560 [1,1,0,0,0,0|1,0,1]=4 855 B14R1.909 CCCC=Cc1ccc(c(c1)O)OC 271570a_100016258520_100009816560 [1,1,0,0,0,0|1,0,1]=4 856 B14R1.909 CCOC=Cc1ccc(c(c1)O)OC 271570a_100016256518_100009816560 [1,1,0,0,0,0|1,0,1]=4 857 B14R1.909 COCC=Cc1cc(c(cn1)OC)O 271570a_100016286323_100010264082 [1,1,0,0,0,0|1,0,1]=4 858 B14R1.909 COCC=Cc1ccc(c(c1)Br)OC 271570a_100016286323_100011249507 [1,1,0,0,0,0|1,0,1]=4 859 B14R1.909 COCC=Cc1ccc(c(c1)C)OC 271570a_100016286323_100011219705 [1,1,0,0,0,0|1,0,1]=4 860 B14R1.909 COCC=Cc1ccc(c(c1)Cl)OC 271570a_100016286323_100012355395 [1,1,0,0,0,0|1,0,1]=4 861 B14R1.909 COCC=Cc1ccc(c(c1)F)OC 271570a_100016286323_100000185480 [1,1,0,0,0,0|1,0,1]=4 862 B14R1.909 COCC=Cc1ccc(c(c1)N)OC 271570a_100016286323_100000743470 [1,1,0,0,0,0|1,0,1]=4 863 B14R1.909 COCC=Cc1ccc(c(c1)O)OC 271570a_100016286323_100009816560 [1,1,0,0,0,0|0,0,1]=3 864 B14R1.909 COCC=Cc1cnc(c(c1)O)OC 271570a_100016286323_100010135713 [1,1,0,0,0,0|1,0,1]=4 865 B14R1.909 COc1ccc(cc1O)CNCC=O 34a_100000740000_200009817547 [1,1,0,0,0,0|0,0,2]=4 866 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)O)OC 22a_100000211920_100000185746 [1,1,0,0,0,0|2,0,0]=4 867 B14R1.3276 COc1ccc(cc1O)NC(=O)CO 22a_100000211920_100000210174 [1,1,0,0,0,0|1,0,1]=4 868 B14R1.3276 COc1ccc(cc1O)NC(=O)CO 527a_100000211920_100000210174 [1,1,0,0,0,0|1,0,1]=4 869 B14R1.3651 COc1cc(ccc1O[13CH3])CC(=O)C 34a_200000039568_200025704644 [0,1,0,0,1,0|1,0,1]=4 870 B14R1.3651 COc1ccc(cc1CO)C=C(C)C 271570a_100102525489_100000204679 [0,1,0,0,1,0|2,0,0]=4 871 B14R1.3651 COc1ccc(cc1OC)C=C(C)C 271570a_100102525489_100000187503 [0,1,0,0,1,0|2,0,0]=4 872 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 1458a_100000184093_200000210301 [0,1,0,0,1,0|1,0,1]=4 873 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 34a_200000039568_200000210301 [0,1,0,0,1,0|1,0,1]=4 874 B14R1.3651 COc1ccc(cc1OC)CC(=O)[13CH3] 1458a_100000184093_200025704644 [0,1,0,0,1,0|1,0,1]=4 875 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 11a_100000187404_100015343762 [0,1,0,0,1,0|2,0,0]=4 876 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 1626a_100000187404_100015343762 [0,1,0,0,1,0|2,0,0]=4 877 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 22a_100000187404_100000070787 [0,1,0,0,1,0|2,0,0]=4 878 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 527a_100000187404_100103153847 [0,1,0,0,1,0|2,0,0]=4 879 B14R1.3652 COc1ccc(cc1O)C(=C(C)C)C 271570a_200000049429_100009816560 [0,1,0,0,1,0|2,0,0]=4 880 B16R1.4275 COc1ccc(cc1CO)C=NNC(=O)C 4a_100000189765_100011361677 [0,1,0,0,0,1|2,0,0]=4 881 B16R1.4275 COc1ccc(cc1OC)C=NNC(=O)C 4a_100000189765_100000170513 [0,1,0,0,0,1|2,0,0]=4 882 B16R1.4275 COc1ccc(cc1OC)CNCC(=O)O 269956a_100016091260_100011233839 [0,1,0,0,0,1|0,0,2]=4 883 B16R1.4286 COc1ccc(cc1O)CC(=O)CC(=O)N 1458a_100000049095_100000187820 [0,1,0,0,0,1|1,0,1]=4 884 B16R1.4286 COc1ccc(cc1O)CC(=O)CC(=O)[O-] 1458a_100000049095_100020667443 [0,1,0,0,0,1|0,0,2]=4 885 B16R1.4286 COc1ccc(cc1O)NC(=O)C=C(C)C 22a_100000211920_100000211388 [0,1,0,0,0,1|2,0,0]=4 886 B16R1.4286 COc1ccc(cc1O)NC(=O)C=C(C)Cl 22a_100000211920_200042562850 [0,1,0,0,0,1|2,0,0]=4 887 B16R1.4286 COc1ccc(cc1O)NC(=O)CC(=O)N 22a_100000211920_100134613110 [0,1,0,0,0,1|1,0,1]=4 888 B16R1.4286 COc1ccc(cc1O)NC(=O)CC(=O)N 527a_100000211920_100134613110 [0,1,0,0,0,1|1,0,1]=4 889 B16R1.4287 COc1ccc(cc1O)CNC(=O)C(=O)N 240690a_100000740000_100011215815 [0,1,0,0,0,1|1,0,1]=4 890 B16R1.4287 COc1ccc(cc1O)NCC(=O)C(=O)C 34a_100000211920_100011261029 [0,1,0,0,0,1|1,0,1]=4 891 B16R1.4287 COc1ccc(cc1O)SCC(=O)C(=O)C 62a_100011261029_100009816560 [0,1,0,0,0,1|1,0,1]=4 892 B16R1.4288 CCC(=O)NN=Cc1ccc(c(c1)O)OC 4a_100000183195_100000211151 [0,1,0,0,0,1|2,0,0]=4 893 B16R1.4288 COC(=O)C=NNc1ccc(c(c1)Cl)OC 4a_100000699481_200011823558 [0,1,0,0,0,1|2,0,0]=4 894 B16R1.4288 COC(=O)CCNc1ccc(c(c1)O)OC 34a_100000211920_100000742370 [0,1,0,0,0,1|0,0,2]=4 895 B16R1.4288 COC(=O)CCSc1ccc(c(c1)O)OC 62a_100000204255_100009816560 [0,1,0,0,0,1|0,0,2]=4 896 B16R1.4288 COC(=O)CNCc1ccc(c(c1)O)OC 34a_100000740000_100000747449 [0,1,0,0,0,1|0,0,2]=4 897 B16R1.4288 COc1ccc(cc1O)CCNC(=O)CO 240690a_100011207234_100000210174 [0,1,0,0,0,1|0,0,2]=4 898 B16R1.4288 COc1ccc(cc1O)CCNC(=O)CO 527a_100011207234_100000210174 [0,1,0,0,0,1|0,0,2]=4 899 B16R1.4296 COc1ccc(cc1O)C(=NNC(=O)C)C 4a_100000189765_100000732934 [0,1,0,0,0,1|2,0,0]=4 900 B16R1.4296 COc1ccc(cc1O)C(=O)CC=C(C)C 1458a_100000766810_100000761012 [0,1,0,0,0,1|2,0,0]=4 901 B16R1.4296 COc1ccc(cc1O)C(=O)NCC(=O)N 240690a_100000711301_100000766810 [0,1,0,0,0,1|1,0,1]=4 902 B16R1.4296 COc1ccc(cc1O)C(=O)NCC(=O)N 527a_100000711301_100000766810 [0,1,0,0,0,1|1,0,1]=4 903 B16R1.4296 COc1ccc(cc1O)C(=O)NNC(=O)C 22a_100000189765_100000766810 [0,1,0,0,0,1|2,0,0]=4 904 B16R1.20094 COc1cc(c(cc1O)C=NNC(=O)C)Br 4a_100000189765_100000183646 [0,1,0,0,0,1|2,0,0]=4 905 B16R1.20119 COc1ccc(c(c1O)Br)C=NNC(=O)C 4a_100000189765_100000701108 [0,1,0,0,0,1|2,0,0]=4 906 B16R1.20119 COc1ccc(c(c1O)Cl)C=NNC(=O)C 4a_100000189765_100000067189 [0,1,0,0,0,1|2,0,0]=4 907 B16R1.20119 COc1ccc(c(c1O)I)C=NNC(=O)C 4a_100000189765_200009828465 [0,1,0,0,0,1|2,0,0]=4 908 B16R1.20119 COc1ccc(c(c1O)O)C=NNC(=O)C 4a_100000189765_200000073575 [0,1,0,0,0,1|2,0,0]=4 909 B16R1.36214 COc1c(cc(cc1Cl)C=NNC(=O)C)O 4a_100000189765_200010620221 [0,1,0,0,0,1|2,0,0]=4 910 B16R1.20038 COc1cc(c(cc1O)C(=O)CC(=O)N)Br 1458a_100010074811_100000187820 [0,2,0,0,0,0|1,0,1]=4 911 B16R1.20038 COc1cc(c(cc1O)C(=O)CC(=O)[O-])Br 1458a_100010074811_100020667443 [0,2,0,0,0,0|0,0,2]=4 912 B16R1.20040 COc1cc(c(cc1OC)C=CC(=O)C)Br 1458a_200000186731_200000210301 [0,2,0,0,0,0|1,0,0]=3 913 B16R1.20040 COc1cc(c(cc1OC)C=CC(=O)[13CH3])Br 1458a_200000186731_200025704644 [0,2,0,0,0,0|1,0,0]=3 914 B16R1.20040 COc1cc(c(cc1OC)C=CC(C)O)F 271570a_200011019289_200011765842 [0,2,0,0,0,0|1,0,1]=4 915 B16R1.20050 CCC(=O)C=Cc1cc(c(cc1F)OC)Br 6a_100010244998_100000211110 [0,2,0,0,0,0|2,0,0]=4 916 B16R1.20050 CCC(=O)C=Cc1cc(c(cc1F)OC)F 6a_100000061656_100000211110 [0,2,0,0,0,0|2,0,0]=4 917 B16R1.20050 CCC(=O)C=Cc1cc(c(cc1O)OC)Cl 6a_100000087014_100000211110 [0,2,0,0,0,0|2,0,0]=4 918 B16R1.20050 COc1cc(c(cc1Br)C=CC(=O)CBr)F 6a_100010244998_100009888967 [0,2,0,0,0,0|2,0,0]=4 919 B16R1.20050 COc1cc(c(cc1Br)C=CC(=O)CCl)F 6a_100010244998_100000086384 [0,2,0,0,0,0|2,0,0]=4 920 B16R1.20050 COc1cc(c(cc1Br)C=CC(=O)CF)F 6a_100010244998_100000764096 [0,2,0,0,0,0|2,0,0]=4 921 B16R1.20050 COc1cc(c(cc1Cl)C=CC(=O)CBr)O 6a_100000087014_100009888967 [0,2,0,0,0,0|2,0,0]=4 922 B16R1.20050 COc1cc(c(cc1Cl)C=CC(=O)CCl)O 6a_100000087014_100000086384 [0,2,0,0,0,0|2,0,0]=4 923 B16R1.20050 COc1cc(c(cc1Cl)C=CC(=O)CF)O 6a_100000087014_100000764096 [0,2,0,0,0,0|2,0,0]=4 924 B16R1.20050 COc1cc(c(cc1F)C=CC(=O)CBr)F 6a_100000061656_100009888967 [0,2,0,0,0,0|2,0,0]=4 925 B16R1.20050 COc1cc(c(cc1F)C=CC(=O)CCl)F 6a_100000061656_100000086384 [0,2,0,0,0,0|2,0,0]=4 926 B16R1.20050 COc1cc(c(cc1F)C=CC(=O)CF)F 6a_100000061656_100000764096 [0,2,0,0,0,0|2,0,0]=4 927 B16R1.20052 COc1cc(c(cc1Br)C=CC(=O)C)OC 1458a_200009812227_200000210301 [0,2,0,0,0,0|2,0,0]=4 928 B16R1.20052 COc1cc(c(cc1Br)C=CC(=O)[13CH3])OC 1458a_200009812227_200025704644 [0,2,0,0,0,0|2,0,0]=4 929 B16R1.20052 COc1cc(c(cc1O)C=CC(C)O)C=O 271570a_200011019289_100000741691 [0,2,0,0,0,0|1,0,1]=4 930 B16R1.20117 COc1ccc(c(c1O)O)C(=O)CC(=O)N 1458a_100000045701_100000187820 [0,2,0,0,0,0|1,0,1]=4 931 B16R1.20117 COc1ccc(c(c1O)O)C(=O)CC(=O)[O-] 1458a_100000045701_100020667443 [0,2,0,0,0,0|0,0,2]=4 932 B16R1.20120 CCC(=O)C=Cc1ccc(c(c1F)F)OC 6a_100000062113_100000211110 [0,2,0,0,0,0|2,0,0]=4 933 B16R1.20120 CCC(=O)C=Cc1ccc(c(c1O)I)OC 6a_100016072024_100000211110 [0,2,0,0,0,0|2,0,0]=4 934 B16R1.20120 COc1ccc(c(c1F)F)C=CC(=O)CBr 6a_100000062113_100009888967 [0,2,0,0,0,0|2,0,0]=4 935 B16R1.20120 COc1ccc(c(c1F)F)C=CC(=O)CCl 6a_100000062113_100000086384 [0,2,0,0,0,0|2,0,0]=4 936 B16R1.20120 COc1ccc(c(c1F)F)C=CC(=O)CF 6a_100000062113_100000764096 [0,2,0,0,0,0|2,0,0]=4 937 B16R1.20120 COc1ccc(c(c1I)O)C=CC(=O)CBr 6a_100016072024_100009888967 [0,2,0,0,0,0|2,0,0]=4 938 B16R1.20120 COc1ccc(c(c1I)O)C=CC(=O)CCl 6a_100016072024_100000086384 [0,2,0,0,0,0|2,0,0]=4 939 B16R1.20120 COc1ccc(c(c1I)O)C=CC(=O)CF 6a_100016072024_100000764096 [0,2,0,0,0,0|2,0,0]=4 940 B16R1.20127 COc1ccc(c(c1OC)C)C=CC(C)O 271570a_200011019289_100010000156 [0,2,0,0,0,0|1,0,1]=4 941 B16R1.20127 COc1ccc(c(c1OC)Cl)C=CC(=O)C 1458a_200020587463_200000210301 [0,2,0,0,0,0|1,0,0]=3 942 B16R1.20127 COc1ccc(c(c1OC)Cl)C=CC(=O)[13CH3] 1458a_200020587463_200025704644 [0,2,0,0,0,0|1,0,0]=3 943 B16R1.20144 COc1ccc(c(c1O)C=O)C=CC(C)O 271570a_200011019289_100009813834 [0,2,0,0,0,0|1,0,1]=4 944 B16R1.25791 CCOc1ccc(c(c1F)F)C=CC(=O)C 1458a_100000061419_200000210301 [0,2,0,0,0,0|2,0,0]=4 945 B16R1.25791 CCOc1ccc(c(c1F)F)C=CC(=O)[13CH3] 1458a_100000061419_200025704644 [0,2,0,0,0,0|2,0,0]=4 946 B16R1.84799 COc1ccc(cc1CO)C=CC(C)(C)O 271570a_200016258132_100000204679 [0,2,0,0,0,0|1,0,1]=4 947 B16R1.84799 COc1ccc(cc1OC)C=CC(C)(C)O 271570a_200016258132_100000187503 [0,2,0,0,0,0|1,0,1]=4 948 B16R1.4273 COc1ccc(cc1OC)C(=O)CC(=O)C 1458a_100000070787_100000184214 [0,2,0,0,0,0|1,0,1]=4 949 B16R1.4273 COc1ccc(cc1OC)C(=O)CC(=O)N 1458a_100000211223_100000187820 [0,2,0,0,0,0|1,0,1]=4 950 B16R1.4273 COc1ccc(cc1OC)C(=O)CC(=O)[O-] 1458a_100000211223_100020667443 [0,2,0,0,0,0|0,0,2]=4 951 B16R1.4297 COc1ccc(cc1O)C(=O)C(C)C(=O)C 1458a_100000766810_100000179758 [0,2,0,0,0,0|1,0,1]=4 952 B16R1.4297 COc1ccc(cc1O)C(=O)C(C)C(=O)N 1458a_100000766810_100000702099 [0,2,0,0,0,0|1,0,1]=4 953 B16R1.4297 COc1ccc(cc1O)C(=O)C(F)C(=O)N 1458a_100000766810_100009813875 [0,2,0,0,0,0|1,0,1]=4 954 B16R1.4297 COc1ccc(cc1O)C(=O)C(F)C(=O)[O-] 1458a_100000766810_100020610796 [0,2,0,0,0,0|0,0,2]=4 955 B16R1.4371 CCC(=O)CC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000747405 [0,2,0,0,0,0|1,0,1]=4 956 B16R1.4371 CCc1ccc(cc1O)C(=O)CC(=O)OC 1458a_100000089006_100000747449 [0,2,0,0,0,0|1,0,1]=4 957 B16R1.4371 CNC(=O)CC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000183359 [0,2,0,0,0,0|1,0,1]=4 958 B16R1.4371 COC(=O)CC(=O)c1ccc(c(c1)Br)OC 1458a_100000187947_100000747449 [0,2,0,0,0,0|1,0,1]=4 959 B16R1.4371 COC(=O)CC(=O)c1ccc(c(c1)C)OC 1458a_100011202886_100000747449 [0,2,0,0,0,0|1,0,1]=4 960 B16R1.4371 COC(=O)CC(=O)c1ccc(c(c1)Cl)OC 1458a_100000188346_100000747449 [0,2,0,0,0,0|1,0,1]=4 961 B16R1.4371 COC(=O)CC(=O)c1ccc(c(c1)F)OC 1458a_100000186160_100000747449 [0,2,0,0,0,0|1,0,1]=4 962 B16R1.4371 COC(=O)CC(=O)c1ccc(c(c1)I)OC 1458a_100000188716_100000747449 [0,2,0,0,0,0|1,0,1]=4 963 B16R1.4371 COC(=O)CC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000747449 [0,2,0,0,0,0|0,0,1]=3 964 B16R1.4371 COc1ccc(cc1Br)C(=O)CC(=O)CO 1458a_100000210174_100000185116 [0,2,0,0,0,0|1,0,1]=4 965 B16R1.4371 COc1ccc(cc1Cl)C(=O)CC(=O)CO 1458a_100000210174_100000198526 [0,2,0,0,0,0|1,0,1]=4 966 B16R1.4371 COc1ccc(cc1F)C(=O)CC(=O)CO 1458a_100000210174_100000195436 [0,2,0,0,0,0|1,0,1]=4 967 B16R1.36365 COc1c(cc(cc1Br)C(=O)CC(=O)N)O 1458a_100010760816_100000187820 [0,2,0,0,0,0|1,0,1]=4 968 B16R1.36365 COc1c(cc(cc1Br)C(=O)CC(=O)[O-])O 1458a_100010760816_100020667443 [0,2,0,0,0,0|0,0,2]=4 969 B16R1.36365 COc1c(cc(cc1O)C(=O)CC(=O)N)O 1458a_100000073573_100000187820 [0,2,0,0,0,0|1,0,1]=4 970 B16R1.36365 COc1c(cc(cc1O)C(=O)CC(=O)[O-])O 1458a_100000073573_100020667443 [0,2,0,0,0,0|0,0,2]=4 971 B16R1.4274 COc1cc(ccc1O[13CH3])C=C(C)[N+](=O)[O-] 34a_200116372986_200025704644 [0,2,0,0,0,0|1,0,1]=4 972 B16R1.4274 COc1ccc(cc1OC)C=C(C)[N+](=O)[O-] 34a_200116372986_200000210301 [0,2,0,0,0,0|1,0,1]=4 973 B16R1.4274 COc1ccc(cc1OC)NC(=O)C(=O)N 22a_100000187404_100011215815 [0,2,0,0,0,0|2,0,0]=4 974 B16R1.4294 C=C(CO)C(=O)Nc1ccc(c(c1)O)OC 22a_100000211920_200000705526 [0,2,0,0,0,0|2,0,0]=4 975 B16R1.4294 CNC(=O)C(=O)Nc1ccc(c(c1)O)OC 22a_100000211920_100011218921 [0,2,0,0,0,0|2,0,0]=4 976 B16R1.4294 CNC(=O)C(=O)Nc1ccc(c(c1)O)OC 527a_100000211920_100011218921 [0,2,0,0,0,0|2,0,0]=4 977 B16R1.4294 COC(=O)C(=O)Nc1ccc(c(c1)Br)OC 11a_100000187427_100000024059 [0,2,0,0,0,0|2,0,0]=4 978 B16R1.4294 COC(=O)C(=O)Nc1ccc(c(c1)Br)OC 1626a_100000187427_100000024059 [0,2,0,0,0,0|2,0,0]=4 979 B16R1.4294 COC(=O)C(=O)Nc1ccc(c(c1)Br)OC 527a_100000187427_100000024059 [0,2,0,0,0,0|2,0,0]=4 980 B16R1.4294 COC(=O)C(=O)Nc1ccc(c(c1)C)OC 11a_100000743268_100000024059 [0,2,0,0,0,0|2,0,0]=4 981 B16R1.4294 COC(=O)C(=O)Nc1ccc(c(c1)C)OC 1626a_100000743268_100000024059 [0,2,0,0,0,0|2,0,0]=4 982 B16R1.4294 COC(=O)C(=O)Nc1ccc(c(c1)C)OC 527a_100000743268_100000024059 [0,2,0,0,0,0|2,0,0]=4 983 B16R1.4294 COC(=O)C(=O)Nc1ccc(c(c1)Cl)OC 11a_100000211044_100000024059 [0,2,0,0,0,0|2,0,0]=4 984 B16R1.4294 COC(=O)C(=O)Nc1ccc(c(c1)Cl)OC 1626a_100000211044_100000024059 [0,2,0,0,0,0|2,0,0]=4 985 B16R1.4294 COC(=O)C(=O)Nc1ccc(c(c1)Cl)OC 527a_100000211044_100000024059 [0,2,0,0,0,0|2,0,0]=4 986 B16R1.4294 COC(=O)C(=O)Nc1ccc(c(c1)F)OC 11a_100000740183_100000024059 [0,2,0,0,0,0|2,0,0]=4 987 B16R1.4294 COC(=O)C(=O)Nc1ccc(c(c1)F)OC 1626a_100000740183_100000024059 [0,2,0,0,0,0|2,0,0]=4 988 B16R1.4294 COC(=O)C(=O)Nc1ccc(c(c1)F)OC 527a_100000740183_100000024059 [0,2,0,0,0,0|2,0,0]=4 989 B16R1.4294 COC(=O)C(=O)Nc1ccc(c(c1)I)OC 11a_100011356947_100000024059 [0,2,0,0,0,0|2,0,0]=4 990 B16R1.4294 COC(=O)C(=O)Nc1ccc(c(c1)I)OC 1626a_100011356947_100000024059 [0,2,0,0,0,0|2,0,0]=4 991 B16R1.4294 COC(=O)C(=O)Nc1ccc(c(c1)I)OC 527a_100011356947_100000024059 [0,2,0,0,0,0|2,0,0]=4 992 B16R1.4294 COC(=O)C(=O)Nc1ccc(c(c1)O)OC 527a_100000211920_100000024059 [0,2,0,0,0,0|1,0,0]=3 993 B16R1.4294 COC(=O)C(C)Nc1ccc(c(c1)O)OC 34a_100000211920_100000211248 [0,2,0,0,0,0|1,0,1]=4 994 B16R1.4294 COC(=O)C(C)Sc1ccc(c(c1)O)OC 62a_100000211248_100009816560 [0,2,0,0,0,0|1,0,1]=4 995 B16R1.4294 COc1ccc(cc1O)CN(C)C(=O)CO 240690a_100000188468_100000210174 [0,2,0,0,0,0|1,0,1]=4 996 B16R1.4294 COc1ccc(cc1O)CN(C)C(=O)CO 527a_100000188468_100000210174 [0,2,0,0,0,0|1,0,1]=4 997 B16R1.4276 CCC(=O)C=Cc1ccc(c(c1)OC)OC 1458a_100015194992_100000210202 [0,2,0,0,0,0|1,0,0]=3 998 B16R1.4276 CNC(=O)C=Cc1ccc(c(c1)OC)OC 11a_106832991635_100015194992 [0,2,0,0,0,0|1,0,0]=3 999 B16R1.4276 CNC(=O)C=Cc1ccc(c(c1)OC)OC 1626a_100102657272_100015194992 [0,2,0,0,0,0|1,0,0]=3 1000 B16R1.4276 CNC(=O)C=Cc1ccc(c(c1)OC)OC 240690a_100102657272_100015194992 [0,2,0,0,0,0|1,0,0]=3 1001 B16R1.4276 CNC(=O)C=Cc1ccc(c(c1)OC)OC 527a_100102657272_100015194992 [0,2,0,0,0,0|1,0,0]=3 1002 B16R1.4276 COC(=O)C=Cc1ccc(c(c1)OC)OC 34a_100000149373_200000210301 [0,2,0,0,0,0|0,0,0]=2 1003 B16R1.4276 COC(=O)C=Cc1ccc(c(c1)OC)OC 34a_100000724557_200000210301 [0,2,0,0,0,0|0,0,0]=2 1004 B16R1.4276 COC(=O)C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100000149373_200025704644 [0,2,0,0,0,0|0,0,0]=2 1005 B16R1.4276 COC(=O)C=Cc1ccc(c(c1)O[13CH3])OC 34a_100000724557_200025704644 [0,2,0,0,0,0|0,0,0]=2 1006 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)OC 34a_100000056475_200000210301 [0,2,0,0,0,0|0,0,2]=4 1007 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)OC 34a_100000070228_200000210301 [0,2,0,0,0,0|0,0,2]=4 1008 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)OC 7a_100000056475_200000210301 [0,2,0,0,0,0|0,0,2]=4 1009 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)OC 7a_100000070228_200000210301 [0,2,0,0,0,0|0,0,2]=4 1010 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)O[13CH3] 34a_100000070228_200025704644 [0,2,0,0,0,0|0,0,2]=4 1011 B16R1.4276 COC(=O)CCc1ccc(c(c1)OC)O[13CH3] 7a_100000070228_200025704644 [0,2,0,0,0,0|0,0,2]=4 1012 B16R1.4276 COC(=O)CCc1ccc(c(c1)O[13CH3])OC 34a_100000056475_200025704644 [0,2,0,0,0,0|0,0,2]=4 1013 B16R1.4276 COC(=O)CCc1ccc(c(c1)O[13CH3])OC 7a_100000056475_200025704644 [0,2,0,0,0,0|0,0,2]=4 1014 B16R1.4276 COC(=O)CNc1ccc(c(c1)OC)OC 34a_100000187404_100000747449 [0,2,0,0,0,0|1,0,1]=4 1015 B16R1.4276 COC(=O)COc1ccc(c(c1)OC)OC 34a_100000039706_100000747449 [0,2,0,0,0,0|1,0,1]=4 1016 B16R1.4276 COC(=O)CSc1ccc(c(c1)CO)OC 62a_100000204679_100000747449 [0,2,0,0,0,0|1,0,1]=4 1017 B16R1.4276 COC(=O)CSc1ccc(c(c1)CO)OC 62a_100000747449_100000204679 [0,2,0,0,0,0|1,0,1]=4 1018 B16R1.4276 COC(=O)CSc1ccc(c(c1)OC)OC 62a_100000747449_100011356967 [0,2,0,0,0,0|1,0,1]=4 1019 B16R1.4276 COc1ccc(cc1OC)C=CC(=O)CF 1458a_100015194992_100015361967 [0,2,0,0,0,0|1,0,0]=3 1020 B16R1.4276 COc1ccc(cc1OC)CCC(=O)CO 1458a_100000210174_100011740610 [0,2,0,0,0,0|0,0,2]=4 1021 B16R1.4276 COc1ccc(cc1OC)CNC(=O)CO 240690a_100000185555_100000210174 [0,2,0,0,0,0|1,0,1]=4 1022 B16R1.4276 COc1ccc(cc1OC)CNC(=O)CO 527a_100000185555_100000210174 [0,2,0,0,0,0|1,0,1]=4 1023 B16R1.7144 CCOc1ccc(cc1Cl)/C=C/C(=O)OC 34a_100102526190_100000210202 [0,2,0,0,0,0|1,0,0]=3 1024 B16R1.7144 CCOc1ccc(cc1Cl)/C=C/C(=O)OC 7a_100102526190_100000210202 [0,2,0,0,0,0|1,0,0]=3 1025 B16R1.7144 CCOc1ccc(cc1Cl)C=CC(=O)CBr 6a_200000188301_100009888967 [0,2,0,0,0,0|2,0,0]=4 1026 B16R1.7144 CCOc1ccc(cc1Cl)C=CC(=O)CC 6a_200000188301_100000211110 [0,2,0,0,0,0|2,0,0]=4 1027 B16R1.7144 CCOc1ccc(cc1Cl)C=CC(=O)CCl 6a_200000188301_100000086384 [0,2,0,0,0,0|2,0,0]=4 1028 B16R1.7144 CCOc1ccc(cc1Cl)C=CC(=O)CF 6a_200000188301_100000764096 [0,2,0,0,0,0|2,0,0]=4 1029 B16R1.7144 CCOc1ccc(cc1I)C=CC(=O)CBr 6a_200000123116_100009888967 [0,2,0,0,0,0|2,0,0]=4 1030 B16R1.7144 CCOc1ccc(cc1I)C=CC(=O)CC 6a_200000123116_100000211110 [0,2,0,0,0,0|2,0,0]=4 1031 B16R1.7144 CCOc1ccc(cc1I)C=CC(=O)CCl 6a_200000123116_100000086384 [0,2,0,0,0,0|2,0,0]=4 1032 B16R1.7144 CCOc1ccc(cc1I)C=CC(=O)CF 6a_200000123116_100000764096 [0,2,0,0,0,0|2,0,0]=4 1033 B16R1.7144 CNCc1ccc(cc1Cl)/C=C/C(=O)OC 26a_100102657272_100102526190 [0,2,0,0,0,0|2,0,0]=4 1034 B16R1.7144 COC(=O)/C=C/c1ccc(c(c1)Cl)OCF 34a_100102526190_100015361967 [0,2,0,0,0,0|1,0,0]=3 1035 B16R1.7144 COC(=O)/C=C/c1ccc(c(c1)Cl)OCF 7a_100102526190_100015361967 [0,2,0,0,0,0|1,0,0]=3 1036 B16R1.15082 C#CCC(=O)C=Cc1ccc(c(c1)Br)OC 1458a_200000186738_100000184674 [0,2,0,0,0,0|2,0,0]=4 1037 B16R1.15082 C#CCC(=O)C=Cc1ccc(c(c1)C)OC 1458a_100116352456_100000184674 [0,2,0,0,0,0|2,0,0]=4 1038 B16R1.15082 C#CCC(=O)C=Cc1ccc(c(c1)Cl)OC 1458a_100000735007_100000184674 [0,2,0,0,0,0|2,0,0]=4 1039 B16R1.15082 C#CCC(=O)C=Cc1ccc(c(c1)F)OC 1458a_100102526129_100000184674 [0,2,0,0,0,0|2,0,0]=4 1040 B16R1.15082 C#CCC(=O)C=Cc1ccc(c(c1)O)OC 1458a_100000184920_100000184674 [0,2,0,0,0,0|1,0,0]=3 1041 B16R1.15082 C=CCC(=O)C=Cc1ccc(c(c1)Br)OC 1458a_200000186738_100000210623 [0,2,0,0,0,0|2,0,0]=4 1042 B16R1.15082 C=CCC(=O)C=Cc1ccc(c(c1)C)OC 1458a_100116352456_100000210623 [0,2,0,0,0,0|2,0,0]=4 1043 B16R1.15082 C=CCC(=O)C=Cc1ccc(c(c1)Cl)OC 1458a_100000735007_100000210623 [0,2,0,0,0,0|2,0,0]=4 1044 B16R1.15082 C=CCC(=O)C=Cc1ccc(c(c1)F)OC 1458a_100102526129_100000210623 [0,2,0,0,0,0|2,0,0]=4 1045 B16R1.15082 C=CCC(=O)C=Cc1ccc(c(c1)O)OC 1458a_100000184920_100000210623 [0,2,0,0,0,0|1,0,0]=3 1046 B16R1.15082 C=COC(=O)CNc1ccc(c(c1)O)OC 34a_100000211920_100000036128 [0,2,0,0,0,0|1,0,1]=4 1047 B16R1.15082 C=COC(=O)CSc1ccc(c(c1)O)OC 62a_100000036128_100009816560 [0,2,0,0,0,0|1,0,1]=4 1048 B16R1.15082 CCCC(=O)C=Cc1ccc(c(c1)Br)OC 1458a_200000186738_100000210303 [0,2,0,0,0,0|2,0,0]=4 1049 B16R1.15082 CCCC(=O)C=Cc1ccc(c(c1)Br)OC 6a_100000173361_100011215381 [0,2,0,0,0,0|2,0,0]=4 1050 B16R1.15082 CCCC(=O)C=Cc1ccc(c(c1)C)OC 1458a_100116352456_100000210303 [0,2,0,0,0,0|2,0,0]=4 1051 B16R1.15082 CCCC(=O)C=Cc1ccc(c(c1)C)OC 6a_100000239718_100011215381 [0,2,0,0,0,0|2,0,0]=4 1052 B16R1.15082 CCCC(=O)C=Cc1ccc(c(c1)Cl)OC 1458a_100000735007_100000210303 [0,2,0,0,0,0|2,0,0]=4 1053 B16R1.15082 CCCC(=O)C=Cc1ccc(c(c1)Cl)OC 6a_100000186747_100011215381 [0,2,0,0,0,0|2,0,0]=4 1054 B16R1.15082 CCCC(=O)C=Cc1ccc(c(c1)F)OC 1458a_100102526129_100000210303 [0,2,0,0,0,0|2,0,0]=4 1055 B16R1.15082 CCCC(=O)C=Cc1ccc(c(c1)F)OC 6a_100000204617_100011215381 [0,2,0,0,0,0|2,0,0]=4 1056 B16R1.15082 CCCC(=O)C=Cc1ccc(c(c1)I)OC 6a_100009827998_100011215381 [0,2,0,0,0,0|2,0,0]=4 1057 B16R1.15082 CCCC(=O)C=Cc1ccc(c(c1)O)OC 1458a_100000184920_100000210303 [0,2,0,0,0,0|1,0,0]=3 1058 B16R1.15082 CCNC(=O)C=Cc1ccc(c(c1)Br)OC 11a_100015525214_200000186738 [0,2,0,0,0,0|2,0,0]=4 1059 B16R1.15082 CCNC(=O)C=Cc1ccc(c(c1)Br)OC 240690a_100015525214_200000186738 [0,2,0,0,0,0|2,0,0]=4 1060 B16R1.15082 CCNC(=O)C=Cc1ccc(c(c1)C)OC 11a_100015525214_100116352456 [0,2,0,0,0,0|2,0,0]=4 1061 B16R1.15082 CCNC(=O)C=Cc1ccc(c(c1)C)OC 240690a_100015525214_100116352456 [0,2,0,0,0,0|2,0,0]=4 1062 B16R1.15082 CCNC(=O)C=Cc1ccc(c(c1)Cl)OC 11a_100015525214_100000735007 [0,2,0,0,0,0|2,0,0]=4 1063 B16R1.15082 CCNC(=O)C=Cc1ccc(c(c1)Cl)OC 240690a_100015525214_100000735007 [0,2,0,0,0,0|2,0,0]=4 1064 B16R1.15082 CCNC(=O)C=Cc1ccc(c(c1)F)OC 11a_100015525214_100102526129 [0,2,0,0,0,0|2,0,0]=4 1065 B16R1.15082 CCNC(=O)C=Cc1ccc(c(c1)F)OC 240690a_100015525214_100102526129 [0,2,0,0,0,0|2,0,0]=4 1066 B16R1.15082 CCOC(=O)C=Cc1cc(c(cn1)OC)N 271570a_100010199719_100010896307 [0,2,0,0,0,0|2,0,0]=4 1067 B16R1.15082 CCOC(=O)C=Cc1cc(c(cn1)OC)O 271570a_100010199719_100010264082 [0,2,0,0,0,0|1,0,0]=3 1068 B16R1.15082 CCOC(=O)C=Cc1ccc(c(c1)Br)OC 271570a_100010199719_100011249507 [0,2,0,0,0,0|1,0,0]=3 1069 B16R1.15082 CCOC(=O)C=Cc1ccc(c(c1)C)NC 271570a_100010199719_100000221803 [0,2,0,0,0,0|2,0,0]=4 1070 B16R1.15082 CCOC(=O)C=Cc1ccc(c(c1)C)OC 271570a_100010199719_100011219705 [0,2,0,0,0,0|1,0,0]=3 1071 B16R1.15082 CCOC(=O)C=Cc1ccc(c(c1)Cl)OC 271570a_100010199719_100012355395 [0,2,0,0,0,0|1,0,0]=3 1072 B16R1.15082 CCOC(=O)C=Cc1ccc(c(c1)Cl)SC 271570a_100010199719_206447510565 [0,2,0,0,0,0|1,1,0]=4 1073 B16R1.15082 CCOC(=O)C=Cc1ccc(c(c1)F)CC 271570a_100010199719_200010071577 [0,2,0,0,0,0|2,0,0]=4 1074 B16R1.15082 CCOC(=O)C=Cc1ccc(c(c1)F)NC 271570a_100010199719_100000743884 [0,2,0,0,0,0|2,0,0]=4 1075 B16R1.15082 CCOC(=O)C=Cc1ccc(c(c1)F)OC 271570a_100010199719_100000185480 [0,2,0,0,0,0|1,0,0]=3 1076 B16R1.15082 CCOC(=O)C=Cc1ccc(c(c1)F)SC 271570a_100010199719_100010161220 [0,2,0,0,0,0|1,1,0]=4 1077 B16R1.15082 CCOC(=O)C=Cc1ccc(c(c1)N)CC 271570a_100010199719_100012354963 [0,2,0,0,0,0|2,0,0]=4 1078 B16R1.15082 CCOC(=O)C=Cc1ccc(c(c1)N)NC 271570a_100010199719_100000741790 [0,2,0,0,0,0|2,0,0]=4 1079 B16R1.15082 CCOC(=O)C=Cc1ccc(c(c1)N)OC 271570a_100010199719_100000743470 [0,2,0,0,0,0|1,0,0]=3 1080 B16R1.15082 CCOC(=O)C=Cc1ccc(c(c1)O)C#N 271570a_100010199719_100011934713 [0,2,0,0,0,0|2,0,0]=4 1081 B16R1.15082 CCOC(=O)C=Cc1ccc(c(c1)O)C=O 271570a_100010199719_100011277552 [0,2,0,0,0,0|2,0,0]=4 1082 B16R1.15082 CCOC(=O)C=Cc1ccc(c(c1)O)CO 271570a_100010199719_100000071718 [0,2,0,0,0,0|2,0,0]=4 1083 B16R1.15082 CCOC(=O)C=Cc1ccc(c(c1)O)OC 271570a_100010199719_100009816560 [0,2,0,0,0,0|0,0,0]=2 1084 B16R1.15082 CCOC(=O)C=Cc1ccc(c(n1)Br)OC 271570a_100010199719_100010214827 [0,2,0,0,0,0|2,0,0]=4 1085 B16R1.15082 CCOC(=O)C=Cc1ccc(c(n1)C)OC 271570a_100010199719_100010244750 [0,2,0,0,0,0|2,0,0]=4 1086 B16R1.15082 CCOC(=O)C=Cc1ccc(c(n1)Cl)OC 271570a_100010199719_100010233546 [0,2,0,0,0,0|2,0,0]=4 1087 B16R1.15082 CCOC(=O)C=Cc1ccc(c(n1)F)OC 271570a_100010199719_100010138636 [0,2,0,0,0,0|2,0,0]=4 1088 B16R1.15082 CCOC(=O)C=Cc1ccc(c(n1)N)OC 271570a_100010199719_100010192976 [0,2,0,0,0,0|2,0,0]=4 1089 B16R1.15082 CCOC(=O)C=Cc1cnc(c(c1)Br)OC 271570a_100010199719_200010988584 [0,2,0,0,0,0|2,0,0]=4 1090 B16R1.15082 CCOC(=O)C=Cc1cnc(c(c1)C)OC 271570a_100010199719_100011290809 [0,2,0,0,0,0|2,0,0]=4 1091 B16R1.15082 CCOC(=O)C=Cc1cnc(c(c1)F)OC 271570a_100010199719_100011880707 [0,2,0,0,0,0|2,0,0]=4 1092 B16R1.15082 CCOC(=O)C=Cc1cnc(c(c1)N)OC 271570a_100010199719_100000748608 [0,2,0,0,0,0|2,0,0]=4 1093 B16R1.15082 CCOC(=O)C=Cc1cnc(c(c1)O)OC 271570a_100010199719_100010135713 [0,2,0,0,0,0|1,0,0]=3 1094 B16R1.15082 CCOC(=O)CNc1ccc(c(c1)O)OC 34a_100000211920_100000188475 [0,2,0,0,0,0|1,0,1]=4 1095 B16R1.15082 CCOC(=O)CSc1ccc(c(c1)O)OC 62a_100000188475_100009816560 [0,2,0,0,0,0|1,0,1]=4 1096 B16R1.15082 CNNC(=O)C=Cc1ccc(c(c1)Br)OC 22a_100016993582_200000186738 [0,2,0,0,0,0|2,0,0]=4 1097 B16R1.15082 CNNC(=O)C=Cc1ccc(c(c1)C)OC 22a_100016993582_100116352456 [0,2,0,0,0,0|2,0,0]=4 1098 B16R1.15082 CNNC(=O)C=Cc1ccc(c(c1)Cl)OC 22a_100016993582_100000735007 [0,2,0,0,0,0|2,0,0]=4 1099 B16R1.15082 CNNC(=O)C=Cc1ccc(c(c1)F)OC 22a_100016993582_100102526129 [0,2,0,0,0,0|2,0,0]=4 1100 B16R1.15082 CNNC(=O)C=Cc1ccc(c(c1)O)OC 22a_100016993582_100000184920 [0,2,0,0,0,0|1,0,0]=3 1101 B16R1.15082 COCC(=O)C=Cc1ccc(c(c1)Br)OC 6a_100000173361_100000211753 [0,2,0,0,0,0|1,0,0]=3 1102 B16R1.15082 COCC(=O)C=Cc1ccc(c(c1)C)OC 6a_100000239718_100000211753 [0,2,0,0,0,0|1,0,0]=3 1103 B16R1.15082 COCC(=O)C=Cc1ccc(c(c1)Cl)OC 6a_100000186747_100000211753 [0,2,0,0,0,0|1,0,0]=3 1104 B16R1.15082 COCC(=O)C=Cc1ccc(c(c1)F)OC 6a_100000204617_100000211753 [0,2,0,0,0,0|1,0,0]=3 1105 B16R1.15082 COCC(=O)C=Cc1ccc(c(c1)I)OC 6a_100009827998_100000211753 [0,2,0,0,0,0|1,0,0]=3 1106 B16R1.15082 COCC(=O)C=Cc1cnc(c(c1)F)OC 6a_100000081167_100000211753 [0,2,0,0,0,0|2,0,0]=4 1107 B16R1.15082 COCC(=O)NCc1ccc(c(c1)O)OC 240690a_100000740000_100000210968 [0,2,0,0,0,0|1,0,1]=4 1108 B16R1.15082 COCC(=O)NCc1ccc(c(c1)O)OC 527a_100000740000_100000210968 [0,2,0,0,0,0|1,0,1]=4 1109 B16R1.15082 COc1ccc(cc1Br)C=CC(=O)CC#N 1458a_200000186738_100011214920 [0,2,0,0,0,0|2,0,0]=4 1110 B16R1.15082 COc1ccc(cc1Br)C=CC(=O)CC#N 6a_100000173361_100000184835 [0,2,0,0,0,0|2,0,0]=4 1111 B16R1.15082 COc1ccc(cc1Br)C=CC(=O)CCBr 6a_100000173361_100011261029 [0,2,0,0,0,0|2,0,0]=4 1112 B16R1.15082 COc1ccc(cc1Br)C=CC(=O)CCCl 6a_100000173361_100000053229 [0,2,0,0,0,0|2,0,0]=4 1113 B16R1.15082 COc1ccc(cc1Br)C=CC(=O)CCF 1458a_200000186738_100011217306 [0,2,0,0,0,0|2,0,0]=4 1114 B16R1.15082 COc1ccc(cc1Br)C=CC(=O)CCO 1458a_200000186738_100000211926 [0,2,0,0,0,0|1,0,0]=3 1115 B16R1.15082 COc1ccc(cc1Br)C=CC(=O)CSC 6a_100000173361_100011216314 [0,2,0,0,0,0|1,1,0]=4 1116 B16R1.15082 COc1ccc(cc1C)C=CC(=O)CC#N 1458a_100116352456_100011214920 [0,2,0,0,0,0|2,0,0]=4 1117 B16R1.15082 COc1ccc(cc1C)C=CC(=O)CC#N 6a_100000239718_100000184835 [0,2,0,0,0,0|2,0,0]=4 1118 B16R1.15082 COc1ccc(cc1C)C=CC(=O)CCBr 6a_100000239718_100011261029 [0,2,0,0,0,0|2,0,0]=4 1119 B16R1.15082 COc1ccc(cc1C)C=CC(=O)CCCl 6a_100000239718_100000053229 [0,2,0,0,0,0|2,0,0]=4 1120 B16R1.15082 COc1ccc(cc1C)C=CC(=O)CCF 1458a_100116352456_100011217306 [0,2,0,0,0,0|2,0,0]=4 1121 B16R1.15082 COc1ccc(cc1C)C=CC(=O)CCO 1458a_100116352456_100000211926 [0,2,0,0,0,0|1,0,0]=3 1122 B16R1.15082 COc1ccc(cc1C)C=CC(=O)CSC 6a_100000239718_100011216314 [0,2,0,0,0,0|1,1,0]=4 1123 B16R1.15082 COc1ccc(cc1Cl)C=CC(=O)CC#N 1458a_100000735007_100011214920 [0,2,0,0,0,0|2,0,0]=4 1124 B16R1.15082 COc1ccc(cc1Cl)C=CC(=O)CC#N 6a_100000186747_100000184835 [0,2,0,0,0,0|2,0,0]=4 1125 B16R1.15082 COc1ccc(cc1Cl)C=CC(=O)CCBr 6a_100000186747_100011261029 [0,2,0,0,0,0|2,0,0]=4 1126 B16R1.15082 COc1ccc(cc1Cl)C=CC(=O)CCCl 6a_100000186747_100000053229 [0,2,0,0,0,0|2,0,0]=4 1127 B16R1.15082 COc1ccc(cc1Cl)C=CC(=O)CCF 1458a_100000735007_100011217306 [0,2,0,0,0,0|2,0,0]=4 1128 B16R1.15082 COc1ccc(cc1Cl)C=CC(=O)CCO 1458a_100000735007_100000211926 [0,2,0,0,0,0|1,0,0]=3 1129 B16R1.15082 COc1ccc(cc1Cl)C=CC(=O)CSC 6a_100000186747_100011216314 [0,2,0,0,0,0|1,1,0]=4 1130 B16R1.15082 COc1ccc(cc1F)C=CC(=O)CC#N 1458a_100102526129_100011214920 [0,2,0,0,0,0|2,0,0]=4 1131 B16R1.15082 COc1ccc(cc1F)C=CC(=O)CC#N 6a_100000204617_100000184835 [0,2,0,0,0,0|2,0,0]=4 1132 B16R1.15082 COc1ccc(cc1F)C=CC(=O)CCBr 6a_100000204617_100011261029 [0,2,0,0,0,0|2,0,0]=4 1133 B16R1.15082 COc1ccc(cc1F)C=CC(=O)CCCl 6a_100000204617_100000053229 [0,2,0,0,0,0|2,0,0]=4 1134 B16R1.15082 COc1ccc(cc1F)C=CC(=O)CCF 1458a_100102526129_100011217306 [0,2,0,0,0,0|2,0,0]=4 1135 B16R1.15082 COc1ccc(cc1F)C=CC(=O)CCO 1458a_100102526129_100000211926 [0,2,0,0,0,0|1,0,0]=3 1136 B16R1.15082 COc1ccc(cc1F)C=CC(=O)CSC 6a_100000204617_100011216314 [0,2,0,0,0,0|1,1,0]=4 1137 B16R1.15082 COc1ccc(cc1I)C=CC(=O)CC#N 6a_100009827998_100000184835 [0,2,0,0,0,0|2,0,0]=4 1138 B16R1.15082 COc1ccc(cc1I)C=CC(=O)CCBr 6a_100009827998_100011261029 [0,2,0,0,0,0|2,0,0]=4 1139 B16R1.15082 COc1ccc(cc1I)C=CC(=O)CCCl 6a_100009827998_100000053229 [0,2,0,0,0,0|2,0,0]=4 1140 B16R1.15082 COc1ccc(cc1I)C=CC(=O)CSC 6a_100009827998_100011216314 [0,2,0,0,0,0|1,1,0]=4 1141 B16R1.15082 COc1ccc(cc1O)C=CC(=O)CC#N 1458a_100000184920_100011214920 [0,2,0,0,0,0|1,0,0]=3 1142 B16R1.15082 COc1ccc(cc1O)C=CC(=O)CCF 1458a_100000184920_100011217306 [0,2,0,0,0,0|1,0,0]=3 1143 B16R1.15082 COc1ccc(cc1O)C=CC(=O)CCO 1458a_100000184920_100000211926 [0,2,0,0,0,0|0,0,0]=2 1144 B16R1.15082 COc1ccc(cc1O)CCC(=O)CCO 1458a_100000746301_100000211926 [0,2,0,0,0,0|0,0,2]=4 1145 B16R1.15082 COc1ccc(cc1O)CNC(=O)CCO 240690a_100000740000_100011216618 [0,2,0,0,0,0|1,0,1]=4 1146 B16R1.15082 COc1ccc(cc1O)NCC(=O)NCO 34a_100000211920_100000185155 [0,2,0,0,0,0|1,0,1]=4 1147 B16R1.15082 COc1ccc(cc1O)SCC(=O)NCO 62a_100000185155_100009816560 [0,2,0,0,0,0|1,0,1]=4 1148 B16R1.36206 CCC(=O)C=Cc1cc(c(c(c1)Br)OC)Br 6a_100000188323_100000211110 [0,2,0,0,0,0|2,0,0]=4 1149 B16R1.36206 CCC(=O)C=Cc1cc(c(c(c1)Br)OC)Cl 6a_200009816618_100000211110 [0,2,0,0,0,0|2,0,0]=4 1150 B16R1.36206 CCC(=O)C=Cc1cc(c(c(c1)C)OC)C 6a_100000744411_100000211110 [0,2,0,0,0,0|2,0,0]=4 1151 B16R1.36206 CCC(=O)C=Cc1cc(c(c(c1)Cl)OC)Cl 6a_200000015791_100000211110 [0,2,0,0,0,0|2,0,0]=4 1152 B16R1.36206 CCC(=O)C=Cc1cc(c(c(c1)Cl)OC)F 6a_100000050411_100000211110 [0,2,0,0,0,0|2,0,0]=4 1153 B16R1.36206 CCC(=O)C=Cc1cc(c(c(c1)Cl)OC)O 6a_200010620221_100000211110 [0,2,0,0,0,0|1,0,0]=3 1154 B16R1.36206 CCC(=O)C=Cc1cc(c(c(c1)F)OC)F 6a_100011830402_100000211110 [0,2,0,0,0,0|2,0,0]=4 1155 B16R1.36206 COc1c(cc(cc1Br)C=CC(=O)CBr)Br 6a_100000188323_100009888967 [0,2,0,0,0,0|2,0,0]=4 1156 B16R1.36206 COc1c(cc(cc1Br)C=CC(=O)CBr)Cl 6a_200009816618_100009888967 [0,2,0,0,0,0|2,0,0]=4 1157 B16R1.36206 COc1c(cc(cc1Br)C=CC(=O)CCl)Br 6a_100000188323_100000086384 [0,2,0,0,0,0|2,0,0]=4 1158 B16R1.36206 COc1c(cc(cc1Br)C=CC(=O)CCl)Cl 6a_200009816618_100000086384 [0,2,0,0,0,0|2,0,0]=4 1159 B16R1.36206 COc1c(cc(cc1Br)C=CC(=O)CF)Br 6a_100000188323_100000764096 [0,2,0,0,0,0|2,0,0]=4 1160 B16R1.36206 COc1c(cc(cc1Br)C=CC(=O)CF)Cl 6a_200009816618_100000764096 [0,2,0,0,0,0|2,0,0]=4 1161 B16R1.36206 COc1c(cc(cc1C)C=CC(=O)CBr)C 6a_100000744411_100009888967 [0,2,0,0,0,0|2,0,0]=4 1162 B16R1.36206 COc1c(cc(cc1C)C=CC(=O)CCl)C 6a_100000744411_100000086384 [0,2,0,0,0,0|2,0,0]=4 1163 B16R1.36206 COc1c(cc(cc1C)C=CC(=O)CF)C 6a_100000744411_100000764096 [0,2,0,0,0,0|2,0,0]=4 1164 B16R1.36206 COc1c(cc(cc1Cl)C=CC(=O)CBr)Cl 6a_200000015791_100009888967 [0,2,0,0,0,0|2,0,0]=4 1165 B16R1.36206 COc1c(cc(cc1Cl)C=CC(=O)CBr)F 6a_100000050411_100009888967 [0,2,0,0,0,0|2,0,0]=4 1166 B16R1.36206 COc1c(cc(cc1Cl)C=CC(=O)CBr)O 6a_200010620221_100009888967 [0,2,0,0,0,0|1,0,0]=3 1167 B16R1.36206 COc1c(cc(cc1Cl)C=CC(=O)CCl)Cl 6a_200000015791_100000086384 [0,2,0,0,0,0|2,0,0]=4 1168 B16R1.36206 COc1c(cc(cc1Cl)C=CC(=O)CCl)F 6a_100000050411_100000086384 [0,2,0,0,0,0|2,0,0]=4 1169 B16R1.36206 COc1c(cc(cc1Cl)C=CC(=O)CCl)O 6a_200010620221_100000086384 [0,2,0,0,0,0|1,0,0]=3 1170 B16R1.36206 COc1c(cc(cc1Cl)C=CC(=O)CF)Cl 6a_200000015791_100000764096 [0,2,0,0,0,0|2,0,0]=4 1171 B16R1.36206 COc1c(cc(cc1Cl)C=CC(=O)CF)F 6a_100000050411_100000764096 [0,2,0,0,0,0|2,0,0]=4 1172 B16R1.36206 COc1c(cc(cc1Cl)C=CC(=O)CF)O 6a_200010620221_100000764096 [0,2,0,0,0,0|1,0,0]=3 1173 B16R1.36206 COc1c(cc(cc1F)C=CC(=O)CBr)F 6a_100011830402_100009888967 [0,2,0,0,0,0|2,0,0]=4 1174 B16R1.36206 COc1c(cc(cc1F)C=CC(=O)CCl)F 6a_100011830402_100000086384 [0,2,0,0,0,0|2,0,0]=4 1175 B16R1.36206 COc1c(cc(cc1F)C=CC(=O)CF)F 6a_100011830402_100000764096 [0,2,0,0,0,0|2,0,0]=4 1176 B16R1.17188 COC(=O)c1ccc(cc1O)C=CC(C)O 271570a_200011019289_100000062286 [0,2,0,0,0,0|1,0,1]=4 1177 B16R1.6700 CC(=O)C=Cc1ccc(c(c1)Br)OC(C)C 1458a_200045050436_200000210301 [0,2,0,0,0,0|2,0,0]=4 1178 B16R1.6700 CC(C)Oc1ccc(cc1Br)C=CC(=O)[13CH3] 1458a_200045050436_200025704644 [0,2,0,0,0,0|2,0,0]=4 1179 B16R1.9381 CCOc1ccc(cc1OC)/C=C/C(=O)C 34a_100102526088_100000210202 [0,2,0,0,0,0|1,0,0]=3 1180 B16R1.9381 CCOc1ccc(cc1OC)C=CC(=O)C 1458a_100000179813_200000210301 [0,2,0,0,0,0|1,0,0]=3 1181 B16R1.9381 CCOc1ccc(cc1OC)C=CC(=O)[13CH3] 1458a_100000179813_200025704644 [0,2,0,0,0,0|1,0,0]=3 1182 B16R1.9381 CCOc1ccc(cc1OC)C=CC(C)O 271570a_200011019289_200012344064 [0,2,0,0,0,0|1,0,1]=4 1183 B16R1.9381 CCOc1ccc(cc1OC)C=C[N+](=O)[O-] 34a_200103042931_100000210202 [0,2,0,0,0,0|1,0,1]=4 1184 B16R1.9381 CNCc1ccc(cc1OC)/C=C/C(=O)C 26a_100102657272_100102526088 [0,2,0,0,0,0|2,0,0]=4 1185 B16R1.9381 CNCc1ccc(cc1OC)C=CC(=O)[O-] 26a_100102657272_100000055555 [0,2,0,0,0,0|1,0,1]=4 1186 B16R1.9381 COc1cc(ccc1OCF)/C=C/C(=O)C 34a_100102526088_100015361967 [0,2,0,0,0,0|1,0,0]=3 1187 B16R1.9381 COc1cc(ccc1OCF)C=C[N+](=O)[O-] 34a_200103042931_100015361967 [0,2,0,0,0,0|1,0,1]=4 1188 B16R1.47552 CCOc1c(cc(cc1F)C=CC(=O)C)F 1458a_100020621804_200000210301 [0,2,0,0,0,0|2,0,0]=4 1189 B16R1.47552 CCOc1c(cc(cc1F)C=CC(=O)[13CH3])F 1458a_100020621804_200025704644 [0,2,0,0,0,0|2,0,0]=4 1190 B16R1.414 COc1cc(cc(c1OC)Cl)C=CC(=O)C 1458a_100000184590_200000210301 [0,2,0,0,0,0|1,0,0]=3 1191 B16R1.414 COc1cc(cc(c1OC)Cl)C=CC(=O)[13CH3] 1458a_100000184590_200025704644 [0,2,0,0,0,0|1,0,0]=3 1192 B16R1.4265 C=C(C)c1cc(ccc1OC)/C=C/C(=O)C 271570a_100000694244_200016254069 [0,2,0,0,0,0|2,0,0]=4 1193 B16R1.4265 COc1ccc(cc1B(O)O)C=CC(C)O 271570a_200011019289_100009813459 [0,2,0,0,0,0|1,0,1]=4 1194 B16R1.10273 C=C=Cc1cc(ccc1OC)/C=C/C(=O)C 271570a_100015277604_200016254069 [0,2,0,0,0,0|2,0,0]=4 1195 B16R1.10273 CC=Cc1cc(ccc1OC)/C=C/C(=O)C 271570a_100016259895_200016254069 [0,2,0,0,0,0|2,0,0]=4 1196 B16R1.10273 CCOc1cc(ccc1OC)/C=C/[N+](=O)[O-] 34a_100016278493_100000210202 [0,2,0,0,0,0|1,0,1]=4 1197 B16R1.10273 CCOc1cc(ccc1OC)C=CC(=O)C 1458a_100000184759_200000210301 [0,2,0,0,0,0|1,0,0]=3 1198 B16R1.10273 CCOc1cc(ccc1OC)C=CC(=O)[13CH3] 1458a_100000184759_200025704644 [0,2,0,0,0,0|1,0,0]=3 1199 B16R1.10273 CCOc1cc(ccc1OC)C=CC(C)O 271570a_200011019289_200010219349 [0,2,0,0,0,0|1,0,1]=4 1200 B16R1.10273 CCOc1cc(ccc1OC)C=C[N+](=O)[O-] 34a_200011407368_200000210301 [0,2,0,0,0,0|1,0,1]=4 1201 B16R1.10273 CCOc1cc(ccc1O[13CH3])C=C[N+](=O)[O-] 34a_200011407368_200025704644 [0,2,0,0,0,0|1,0,1]=4 1202 B16R1.10273 CCSc1cc(ccc1OC)/C=C/C(=O)C 62a_100000210202_200016254069 [0,2,0,0,0,0|1,1,0]=4 1203 B16R1.10273 CCSc1cc(ccc1OC)/C=C/C(=O)C 62a_200016254069_100000210202 [0,2,0,0,0,0|1,1,0]=4 1204 B16R1.10273 COCc1cc(ccc1OC)C=CC(C)O 271570a_200011019289_200011493686 [0,2,0,0,0,0|1,0,1]=4 1205 B16R1.10273 COc1ccc(cc1OCF)/C=C/[N+](=O)[O-] 34a_100016278493_100015361967 [0,2,0,0,0,0|1,0,1]=4 1206 B16R1.10273 COc1ccc(cc1SCF)/C=C/C(=O)C 62a_100015361967_200016254069 [0,2,0,0,0,0|1,1,0]=4 1207 B16R1.10273 COc1ccc(cc1SCF)/C=C/C(=O)C 62a_200016254069_100015361967 [0,2,0,0,0,0|1,1,0]=4 1208 B14R1.6794 CC=Cc1ccc(c(c1)C(=O)C)OC 271570a_100016259895_100000173343 [0,0,1,1,0,0|2,0,0]=4 1209 B14R2.134 C=Cc1ccc2ccc(=O)oc2c1 271570a_100011290941_100009993525 [1,0,0,1,0,0|1,0,1]=4 1210 B14R2.134 CNc1ccc2ccc(cc2c1)O 34a_100015378740_200000210301 [1,0,0,1,0,0|2,0,0]=4 1211 B14R2.134 CNc1ccc2ccc(cc2c1)O 7a_100015378740_200000210301 [1,0,0,1,0,0|2,0,0]=4 1212 B14R2.134 COc1ccc2c(c1)OC(=O)CC2 7a_100000044819_200000210301 [1,0,0,1,0,0|0,0,2]=4 1213 B14R2.134 COc1ccc2ccc(=O)oc2c1 34a_100000185914_200000210301 [1,0,0,1,0,0|0,0,0]=2 1214 B14R2.134 COc1ccc2ccc(=O)oc2c1 7a_100000185914_200000210301 [1,0,0,1,0,0|0,0,0]=2 1215 B14R2.134 COc1ccc2ccc(cc2c1)Br 34a_100009816537_200000210301 [1,0,0,1,0,0|2,0,0]=4 1216 B14R2.134 COc1ccc2ccc(cc2c1)Br 7a_100009816537_200000210301 [1,0,0,1,0,0|2,0,0]=4 1217 B14R2.134 COc1ccc2ccc(cc2c1)C 34a_100000091598_200000210301 [1,0,0,1,0,0|2,0,0]=4 1218 B14R2.134 COc1ccc2ccc(cc2c1)C 7a_100000091598_200000210301 [1,0,0,1,0,0|2,0,0]=4 1219 B14R2.134 COc1ccc2ccc(cc2c1)N 34a_100015378740_200000210301 [1,0,0,1,0,0|2,0,0]=4 1220 B14R2.134 COc1ccc2ccc(cc2c1)N 7a_100015378740_200000210301 [1,0,0,1,0,0|2,0,0]=4 1221 B14R2.134 COc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090027 [1,0,0,1,0,0|1,0,0]=3 1222 B14R2.134 COc1ccc2ccc(cc2n1)O 271570a_203496583355_100010248626 [1,0,0,1,0,0|2,0,0]=4 1223 B14R2.134 COc1ccc2ccc(nc2c1)C 34a_100009867695_200000210301 [1,0,0,1,0,0|2,0,0]=4 1224 B14R2.134 COc1ccc2ccc(nc2c1)C 7a_100009867695_200000210301 [1,0,0,1,0,0|2,0,0]=4 1225 B14R2.134 COc1ccc2ccc(nc2c1)Cl 34a_100000079174_200000210301 [1,0,0,1,0,0|2,0,0]=4 1226 B14R2.134 COc1ccc2ccc(nc2c1)Cl 7a_100000079174_200000210301 [1,0,0,1,0,0|2,0,0]=4 1227 B14R2.134 COc1ccc2ccc(nc2c1)O 271570a_203496583355_100009877240 [1,0,0,1,0,0|1,0,0]=3 1228 B14R2.134 COc1ccc2cnc(nc2c1)O 271570a_203496583355_100000059825 [1,0,0,1,0,0|2,0,0]=4 1229 B14R2.134 COc1ccc2ncc(cc2c1)O 271570a_203496583355_100000700671 [1,0,0,1,0,0|2,0,0]=4 1230 B14R2.134 COc1ccc2ncc(nc2c1)O 271570a_203496583355_100009882714 [1,0,0,1,0,0|2,0,0]=4 1231 B14R2.134 CSc1ccc2ccc(=O)oc2c1 62a_200000210301_100009993525 [1,0,0,1,0,0|0,1,0]=3 1232 B14R2.134 CSc1ccc2ccc(cc2c1)O 62a_200000210301_100009816537 [1,0,0,1,0,0|1,1,0]=4 1233 B14R2.134 CSc1ccc2ccc(nc2c1)O 62a_200000210301_100000690401 [1,0,0,1,0,0|1,1,0]=4 1234 B14R2.134 Cc1ccc2ccc(cc2c1)O[13CH3] 34a_100000091598_200025704644 [1,0,0,1,0,0|2,0,0]=4 1235 B14R2.134 Cc1ccc2ccc(cc2c1)O[13CH3] 7a_100000091598_200025704644 [1,0,0,1,0,0|2,0,0]=4 1236 B14R2.134 Cc1ccc2ccc(cc2n1)O[13CH3] 34a_100009867695_200025704644 [1,0,0,1,0,0|2,0,0]=4 1237 B14R2.134 Cc1ccc2ccc(cc2n1)O[13CH3] 7a_100009867695_200025704644 [1,0,0,1,0,0|2,0,0]=4 1238 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)O 34a_100015378740_200025704644 [1,0,0,1,0,0|2,0,0]=4 1239 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)O 7a_100015378740_200025704644 [1,0,0,1,0,0|2,0,0]=4 1240 B14R2.134 [13CH3]Oc1ccc2c(c1)OC(=O)CC2 7a_100000044819_200025704644 [1,0,0,1,0,0|0,0,2]=4 1241 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 34a_100000185914_200025704644 [1,0,0,1,0,0|0,0,0]=2 1242 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 7a_100000185914_200025704644 [1,0,0,1,0,0|0,0,0]=2 1243 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)Br 34a_100009816537_200025704644 [1,0,0,1,0,0|2,0,0]=4 1244 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)Br 7a_100009816537_200025704644 [1,0,0,1,0,0|2,0,0]=4 1245 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)N 34a_100015378740_200025704644 [1,0,0,1,0,0|2,0,0]=4 1246 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)N 7a_100015378740_200025704644 [1,0,0,1,0,0|2,0,0]=4 1247 B14R2.134 [13CH3]Oc1ccc2ccc(nc2c1)Cl 34a_100000079174_200025704644 [1,0,0,1,0,0|2,0,0]=4 1248 B14R2.134 [13CH3]Oc1ccc2ccc(nc2c1)Cl 7a_100000079174_200025704644 [1,0,0,1,0,0|2,0,0]=4 1249 B14R2.134 [13CH3]Sc1ccc2ccc(=O)oc2c1 62a_200025704644_100009993525 [1,0,0,1,0,0|0,1,0]=3 1250 B14R2.134 [13CH3]Sc1ccc2ccc(cc2c1)O 62a_200025704644_100009816537 [1,0,0,1,0,0|1,1,0]=4 1251 B14R2.134 [13CH3]Sc1ccc2ccc(nc2c1)O 62a_200025704644_100000690401 [1,0,0,1,0,0|1,1,0]=4 1252 B14R2.8239 Oc1ccc2cc(c(cc2c1)O)O 271570a_203496583355_100010179872 [1,0,0,1,0,0|1,0,0]=3 1253 B14R2.92 CNc1ccc2ccccc2c1O 34a_100000007060_200000210301 [1,0,0,1,0,0|2,0,0]=4 1254 B14R2.92 COc1ccc2ccccc2c1Br 34a_100000183829_200000210301 [1,0,0,1,0,0|2,0,0]=4 1255 B14R2.92 COc1ccc2ccccc2c1Br 7a_100000183829_200000210301 [1,0,0,1,0,0|2,0,0]=4 1256 B14R2.92 COc1ccc2ccccc2c1C 34a_100009830054_200000210301 [1,0,0,1,0,0|2,0,0]=4 1257 B14R2.92 COc1ccc2ccccc2c1C 7a_100009830054_200000210301 [1,0,0,1,0,0|2,0,0]=4 1258 B14R2.92 COc1ccc2ccccc2c1Cl 34a_100000029778_200000210301 [1,0,0,1,0,0|2,0,0]=4 1259 B14R2.92 COc1ccc2ccccc2c1Cl 7a_100000029778_200000210301 [1,0,0,1,0,0|2,0,0]=4 1260 B14R2.92 COc1ccc2ccccc2c1I 34a_100000041551_200000210301 [1,0,0,1,0,0|2,0,0]=4 1261 B14R2.92 COc1ccc2ccccc2c1I 7a_100000041551_200000210301 [1,0,0,1,0,0|2,0,0]=4 1262 B14R2.92 COc1ccc2ccccc2c1N 34a_100000007056_200000210301 [1,0,0,1,0,0|2,0,0]=4 1263 B14R2.92 COc1ccc2ccccc2c1N 7a_100000007056_200000210301 [1,0,0,1,0,0|2,0,0]=4 1264 B14R2.92 COc1ccc2ccccc2c1O 271570a_203496583355_100000173347 [1,0,0,1,0,0|1,0,0]=3 1265 B14R2.92 COc1ccc2cccnc2c1Br 34a_100010173343_200000210301 [1,0,0,1,0,0|2,0,0]=4 1266 B14R2.92 COc1ccc2cccnc2c1Br 7a_100010173343_200000210301 [1,0,0,1,0,0|2,0,0]=4 1267 B14R2.92 COc1ccc2cccnc2c1O 271570a_203496583355_100010071576 [1,0,0,1,0,0|1,0,0]=3 1268 B14R2.92 CSc1ccc2ccccc2c1O 62a_200000210301_100009996032 [1,0,0,1,0,0|1,1,0]=4 1269 B14R2.92 CSc1ccc2cccnc2c1O 62a_200000210301_100009816563 [1,0,0,1,0,0|1,1,0]=4 1270 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 34a_100009830054_200025704644 [1,0,0,1,0,0|2,0,0]=4 1271 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 7a_100009830054_200025704644 [1,0,0,1,0,0|2,0,0]=4 1272 B14R2.92 [13CH3]Nc1ccc2ccccc2c1O 34a_100000007060_200025704644 [1,0,0,1,0,0|2,0,0]=4 1273 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 34a_100000183829_200025704644 [1,0,0,1,0,0|2,0,0]=4 1274 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 7a_100000183829_200025704644 [1,0,0,1,0,0|2,0,0]=4 1275 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 34a_100000029778_200025704644 [1,0,0,1,0,0|2,0,0]=4 1276 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 7a_100000029778_200025704644 [1,0,0,1,0,0|2,0,0]=4 1277 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 34a_100000041551_200025704644 [1,0,0,1,0,0|2,0,0]=4 1278 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 7a_100000041551_200025704644 [1,0,0,1,0,0|2,0,0]=4 1279 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 34a_100000007056_200025704644 [1,0,0,1,0,0|2,0,0]=4 1280 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 7a_100000007056_200025704644 [1,0,0,1,0,0|2,0,0]=4 1281 B14R2.92 [13CH3]Oc1ccc2cccnc2c1Br 34a_100010173343_200025704644 [1,0,0,1,0,0|2,0,0]=4 1282 B14R2.92 [13CH3]Oc1ccc2cccnc2c1Br 7a_100010173343_200025704644 [1,0,0,1,0,0|2,0,0]=4 1283 B14R2.92 [13CH3]Sc1ccc2ccccc2c1O 62a_200025704644_100009996032 [1,0,0,1,0,0|1,1,0]=4 1284 B14R2.92 [13CH3]Sc1ccc2cccnc2c1O 62a_200025704644_100009816563 [1,0,0,1,0,0|1,1,0]=4 1285 B14R2.991 O=CCNc1ccc2c(c1)OCO2 2230a_100000209953_200015260668 [1,0,0,1,0,0|1,0,1]=4 1286 B14R2.991 O=CCNc1ccc2c(c1)OCO2 34a_100000209953_200009817547 [1,0,0,1,0,0|1,0,1]=4 1287 B14R2.991 O=CCOc1ccc2c(c1)OCO2 34a_100000210298_200009817547 [1,0,0,1,0,0|1,0,1]=4 1288 B14R2.1128 COc1cc2ccccc2cc1Br 34a_100009817189_200000210301 [1,0,0,1,0,0|2,0,0]=4 1289 B14R2.1128 COc1cc2ccccc2cc1Br 7a_100009817189_200000210301 [1,0,0,1,0,0|2,0,0]=4 1290 B14R2.1128 COc1cc2ccccc2cc1C 34a_100000091601_200000210301 [1,0,0,1,0,0|2,0,0]=4 1291 B14R2.1128 COc1cc2ccccc2cc1C 7a_100000091601_200000210301 [1,0,0,1,0,0|2,0,0]=4 1292 B14R2.1128 COc1cc2ccccc2cc1N 34a_106744474703_200000210301 [1,0,0,1,0,0|2,0,0]=4 1293 B14R2.1128 COc1cc2ccccc2cc1N 7a_106744474703_200000210301 [1,0,0,1,0,0|2,0,0]=4 1294 B14R2.1128 COc1cc2ccccc2cc1O 271570a_203496583355_100009817100 [1,0,0,1,0,0|1,0,0]=3 1295 B14R2.1128 COc1cc2cccnc2cc1O 271570a_203496583355_100011093944 [1,0,0,1,0,0|2,0,0]=4 1296 B14R2.1128 COc1cc2ccncc2cc1O 271570a_203496583355_100010990640 [1,0,0,1,0,0|2,0,0]=4 1297 B14R2.1128 COc1cc2ncccc2cc1O 271570a_203496583355_100020706834 [1,0,0,1,0,0|1,0,0]=3 1298 B14R2.1128 COc1nc2ccccc2cc1O 271570a_203496583355_100009820890 [1,0,0,1,0,0|2,0,0]=4 1299 B14R2.1128 CSc1cc2ccccc2cc1O 62a_200000210301_100009817189 [1,0,0,1,0,0|1,1,0]=4 1300 B14R2.1128 CSc1cc2ncccc2cc1O 62a_200000210301_200010153759 [1,0,0,1,0,0|1,1,0]=4 1301 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 34a_100000091601_200025704644 [1,0,0,1,0,0|2,0,0]=4 1302 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 7a_100000091601_200025704644 [1,0,0,1,0,0|2,0,0]=4 1303 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 34a_100009817189_200025704644 [1,0,0,1,0,0|2,0,0]=4 1304 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 7a_100009817189_200025704644 [1,0,0,1,0,0|2,0,0]=4 1305 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 34a_106744474703_200025704644 [1,0,0,1,0,0|2,0,0]=4 1306 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 7a_106744474703_200025704644 [1,0,0,1,0,0|2,0,0]=4 1307 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1O 62a_200025704644_100009817189 [1,0,0,1,0,0|1,1,0]=4 1308 B14R2.1128 [13CH3]Sc1cc2ncccc2cc1O 62a_200025704644_200010153759 [1,0,0,1,0,0|1,1,0]=4 1309 B14R2.2167 COc1cc2c(cc1O)CCC2=O 271570a_203496583355_100010233615 [1,0,0,1,0,0|0,0,2]=4 1310 B14R2.2495 COc1ccc2c(c1O)C(=O)CC2 271570a_203496583355_100010009199 [1,0,0,1,0,0|0,0,2]=4 1311 B14R2.1008 CC(=Cc1ccc2c(c1)OCO2)C 271570a_100102525489_100000688060 [0,0,0,1,1,0|2,0,0]=4 1312 B14R2.1008 CC(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200000210301 [0,0,0,1,1,0|1,0,1]=4 1313 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 11a_100000209953_100015343762 [0,0,0,1,1,0|2,0,0]=4 1314 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 1626a_100000209953_100015343762 [0,0,0,1,1,0|2,0,0]=4 1315 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100000070787 [0,0,0,1,1,0|2,0,0]=4 1316 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 527a_100000209953_100103153847 [0,0,0,1,1,0|2,0,0]=4 1317 B14R2.1008 [13CH3]C(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200025704644 [0,0,0,1,1,0|1,0,1]=4 1318 B16R2.2280 COc1ccc(cc1Br)c2ccc(o2)C 271570a_100000061910_100011249507 [0,0,0,1,0,1|2,0,0]=4 1319 B16R2.2280 COc1ccc(cc1C)c2ccc(o2)C 271570a_100000061910_100011219705 [0,0,0,1,0,1|2,0,0]=4 1320 B16R2.2280 COc1ccc(cc1Cl)c2ccc(o2)C 271570a_100000061910_100012355395 [0,0,0,1,0,1|2,0,0]=4 1321 B16R2.2280 COc1ccc(cc1F)c2ccc(o2)C 271570a_100000061910_100000185480 [0,0,0,1,0,1|2,0,0]=4 1322 B16R2.2280 COc1ccc(cc1N)c2ccc(o2)C 271570a_100000061910_100000743470 [0,0,0,1,0,1|2,0,0]=4 1323 B16R2.2280 COc1ccc(cc1O)C2=CC(=O)CC2 271570a_100010737933_100009816560 [0,0,0,1,0,1|1,0,1]=4 1324 B16R2.2280 COc1ccc(cc1O)c2c[nH]c(n2)C 271570a_100010199686_100009814057 [0,0,0,1,0,1|2,0,0]=4 1325 B16R2.2280 COc1ccc(cc1O)c2cc(cs2)C 271570a_100000038307_100009816560 [0,0,0,1,0,1|2,0,0]=4 1326 B16R2.2280 COc1ccc(cc1O)c2cc(cs2)C 271570a_100010199686_100009876951 [0,0,0,1,0,1|2,0,0]=4 1327 B16R2.2280 COc1ccc(cc1O)c2ccc(o2)C 271570a_100000061910_100009816560 [0,0,0,1,0,1|1,0,0]=3 1328 B16R2.2280 COc1ccc(cc1O)c2ccc(s2)Br 271570a_100010199686_100010197418 [0,0,0,1,0,1|1,1,0]=4 1329 B16R2.2280 COc1ccc(cc1O)c2ccc(s2)C 271570a_100010199686_100000761539 [0,0,0,1,0,1|1,1,0]=4 1330 B16R2.2280 COc1ccc(cc1O)c2ccc(s2)C 271570a_100011934456_100009816560 [0,0,0,1,0,1|1,1,0]=4 1331 B16R2.2280 COc1ccc(cc1O)c2ccc(s2)Cl 271570a_100000708867_100009816560 [0,0,0,1,0,1|1,1,0]=4 1332 B16R2.2280 COc1ccc(cc1O)c2cnc(s2)C 271570a_100000696845_100009816560 [0,0,0,1,0,1|1,1,0]=4 1333 B16R2.2280 COc1ccc(cc1O)c2cnc(s2)C 271570a_100010199686_100000764884 [0,0,0,1,0,1|1,1,0]=4 1334 B16R2.2280 COc1ccc(cc1O)c2csc(c2)C 271570a_100000699828_100009816560 [0,0,0,1,0,1|2,0,0]=4 1335 B16R2.2280 COc1ccc(cc1O)c2csc(c2)C 271570a_100010199686_100000759034 [0,0,0,1,0,1|2,0,0]=4 1336 B16R2.2280 COc1ccc(cc1O)c2csc(n2)C 271570a_100010199686_100011934587 [0,0,0,1,0,1|2,0,0]=4 1337 B16R2.2280 COc1ccc(cc1O)c2csc(n2)C 271570a_203496583355_200020701656 [0,0,0,1,0,1|2,0,0]=4 1338 B16R2.2280 COc1ccc(cc1O)c2csc(n2)N 271570a_100010199686_100011998049 [0,0,0,1,0,1|2,0,0]=4 1339 B16R2.2280 COc1ccc(cc1O)c2nc(c[nH]2)C 271570a_100010199686_100161115468 [0,0,0,1,0,1|2,0,0]=4 1340 B16R2.2280 COc1ccc(cc1O)c2nc(cs2)Br 271570a_100010199686_200016082925 [0,0,0,1,0,1|2,0,0]=4 1341 B16R2.2280 COc1ccc(cc1O)c2nc(cs2)C 271570a_100010199686_100011291629 [0,0,0,1,0,1|2,0,0]=4 1342 B16R2.2280 COc1ccc(cc1O)c2nc(cs2)N 271570a_100010199686_200015188442 [0,0,0,1,0,1|2,0,0]=4 1343 B16R2.2280 COc1ccc(cc1O)c2ncc(s2)C 271570a_100010199686_100000690809 [0,0,0,1,0,1|1,1,0]=4 1344 B16R2.2280 COc1ccc(cc1O)c2nnc(o2)C 271570a_100010199686_100000708914 [0,0,0,1,0,1|2,0,0]=4 1345 B16R2.2280 COc1ccc(cc1O)c2noc(n2)O 270196a_100000188611_100015183105 [0,0,0,1,0,1|2,0,0]=4 1346 B16R2.2280 COc1cnc(cc1O)c2ccc(o2)C 271570a_100000061910_100010264082 [0,0,0,1,0,1|2,0,0]=4 1347 B16R2.2280 COc1ncc(cc1O)c2ccc(o2)C 271570a_100000061910_100010135713 [0,0,0,1,0,1|2,0,0]=4 1348 B16R2.27160 O=C(O)CNCc1ccc2c(c1)OCO2 269956a_100016091260_100000189651 [0,0,0,1,0,1|0,0,2]=4 1349 B16R2.3954 CC(=O)C=Cc1cc2c(cc1Br)OCO2 1458a_100016995997_200000210301 [0,1,0,1,0,0|1,0,0]=3 1350 B16R2.3954 CC(O)C=Cc1cc2c(cc1N)OCO2 271570a_200011019289_100012557033 [0,1,0,1,0,0|1,0,1]=4 1351 B16R2.3954 CC(O)C=Cc1cc2c(cc1O)OCO2 271570a_200011019289_100010290809 [0,1,0,1,0,0|1,0,1]=4 1352 B16R2.3954 [13CH3]C(=O)C=Cc1cc2c(cc1Br)OCO2 1458a_100016995997_200025704644 [0,1,0,1,0,0|1,0,0]=3 1353 B16R2.83537 CC(O)C=Cc1ccc2c(c1F)OCO2 271570a_200011019289_100010223184 [0,1,0,1,0,0|1,0,1]=4 1354 B16R2.83537 Cc1c(ccc2c1OCO2)C=CC(C)O 271570a_200011019289_100010335860 [0,1,0,1,0,0|1,0,1]=4 1355 B16R2.82843 CC(C)(O)C=Cc1ccc2c(c1)OCO2 271570a_200016258132_100000688060 [0,1,0,1,0,0|1,0,1]=4 1356 B16R2.11587 CC(=O)CC(=O)c1ccc2c(c1)OCO2 1458a_100000070787_100000181162 [0,1,0,1,0,0|1,0,1]=4 1357 B16R2.11587 NC(=O)CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100000187820 [0,1,0,1,0,0|1,0,1]=4 1358 B16R2.11587 O=C([O-])CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100020667443 [0,1,0,1,0,0|0,0,2]=4 1359 B16R2.192589 COc1cc2oc(=O)cc(c2cc1Cl)C 7a_100000010825_200000210301 [0,1,0,1,0,0|1,0,0]=3 1360 B16R2.192589 Cc1cc(=O)oc2c1cc(c(c2)O[13CH3])Cl 7a_100000010825_200025704644 [0,1,0,1,0,0|1,0,0]=3 1361 B16R2.197098 COc1ccc2c(cc(=O)oc2c1N)C 7a_200000009704_200000210301 [0,1,0,1,0,0|1,0,0]=3 1362 B16R2.197098 Cc1cc(=O)oc2c1ccc(c2N)O[13CH3] 7a_200000009704_200025704644 [0,1,0,1,0,0|1,0,0]=3 1363 B16R2.6257 NC(=O)C(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100011215815 [0,1,0,1,0,0|2,0,0]=4 1364 B16R2.1357 CCC(=O)C=Cc1ccc2c(c1)CCO2 1458a_100000241297_100000210202 [0,1,0,1,0,0|2,0,0]=4 1365 B16R2.1357 CCC(=O)C=Cc1ccc2c(c1)CCO2 6a_100011218456_100000211110 [0,1,0,1,0,0|2,0,0]=4 1366 B16R2.1357 CCC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_100000210202 [0,1,0,1,0,0|1,0,0]=3 1367 B16R2.1357 CNC(=O)C=Cc1ccc2c(c1)CCO2 11a_106832991635_100000241297 [0,1,0,1,0,0|2,0,0]=4 1368 B16R2.1357 CNC(=O)C=Cc1ccc2c(c1)CCO2 1626a_100102657272_100000241297 [0,1,0,1,0,0|2,0,0]=4 1369 B16R2.1357 CNC(=O)C=Cc1ccc2c(c1)CCO2 240690a_100102657272_100000241297 [0,1,0,1,0,0|2,0,0]=4 1370 B16R2.1357 CNC(=O)C=Cc1ccc2c(c1)OCO2 11a_106832991635_100000182195 [0,1,0,1,0,0|1,0,0]=3 1371 B16R2.1357 CNC(=O)C=Cc1ccc2c(c1)OCO2 1626a_100102657272_100000182195 [0,1,0,1,0,0|1,0,0]=3 1372 B16R2.1357 COC(=O)CNc1ccc2c(c1)OCO2 2230a_100000209953_100000747449 [0,1,0,1,0,0|1,0,1]=4 1373 B16R2.1357 COC(=O)CNc1ccc2c(c1)OCO2 34a_100000209953_100000747449 [0,1,0,1,0,0|1,0,1]=4 1374 B16R2.1357 COC(=O)COc1ccc2c(c1)OCO2 34a_100000210298_100000747449 [0,1,0,1,0,0|1,0,1]=4 1375 B16R2.1357 O=C(C=Cc1ccc2c(c1)CCO2)CBr 6a_100011218456_100009888967 [0,1,0,1,0,0|2,0,0]=4 1376 B16R2.1357 O=C(C=Cc1ccc2c(c1)CCO2)CCl 6a_100011218456_100000086384 [0,1,0,1,0,0|2,0,0]=4 1377 B16R2.1357 O=C(C=Cc1ccc2c(c1)CCO2)CF 1458a_100000241297_100015361967 [0,1,0,1,0,0|2,0,0]=4 1378 B16R2.1357 O=C(C=Cc1ccc2c(c1)CCO2)CF 6a_100011218456_100000764096 [0,1,0,1,0,0|2,0,0]=4 1379 B16R2.1357 O=C(C=Cc1ccc2c(c1)OCO2)CF 1458a_100000182195_100015361967 [0,1,0,1,0,0|1,0,0]=3 1380 B16R2.1357 O=C(CO)NCc1ccc2c(c1)OCO2 240690a_100000210006_100000210174 [0,1,0,1,0,0|1,0,1]=4 1381 B16R2.1357 O=C(CO)NCc1ccc2c(c1)OCO2 527a_100000210006_100000210174 [0,1,0,1,0,0|1,0,1]=4 1382 B16R2.477 CC(=O)C=Cc1ccc2c(c1)OCCO2 1458a_100000179788_200000210301 [0,1,0,1,0,0|1,0,0]=3 1383 B16R2.477 CC(O)C=Cc1ccc2c(c1)OCCO2 271570a_200011019289_100000184379 [0,1,0,1,0,0|1,0,1]=4 1384 B16R2.477 [13CH3]C(=O)C=Cc1ccc2c(c1)OCCO2 1458a_100000179788_200025704644 [0,1,0,1,0,0|1,0,0]=3 1385 B16R2.1461 COc1cc2ccc(=O)oc2cc1OC 7a_100000032626_200000210301 [0,1,0,1,0,0|0,0,0]=2 1386 B16R2.1461 COc1cc2ccc(=O)oc2cc1O[13CH3] 7a_100000032626_200025704644 [0,1,0,1,0,0|0,0,0]=2 1387 B16R2.1461 COc1cc2ncc(nc2cc1OC)O 271570a_203496583355_100000756249 [0,1,0,1,0,0|2,0,0]=4 1388 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [1,0,0,0,1,0|1,0,1]=4 1389 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [1,0,0,0,1,0|1,0,1]=4 1390 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [1,0,0,0,1,0|2,0,0]=4 1391 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [1,0,0,0,1,0|2,0,0]=4 1392 B12R1.4 COc1ccc(cc1)C=C(C)C 271570a_100102525489_100000171711 [1,0,0,0,1,0|2,0,0]=4 1393 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [1,0,0,0,1,0|1,0,1]=4 1394 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [1,0,0,0,1,0|1,0,1]=4 1395 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [1,0,0,0,1,0|1,0,1]=4 1396 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [1,0,0,0,1,0|1,0,1]=4 1397 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [1,0,0,0,1,0|1,0,1]=4 1398 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [1,0,0,0,1,0|2,0,0]=4 1399 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [1,0,0,0,1,0|2,0,0]=4 1400 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [1,0,0,0,1,0|2,0,0]=4 1401 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [1,0,0,0,1,0|2,0,0]=4 1402 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [1,0,0,0,1,0|2,0,0]=4 1403 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [1,0,0,0,1,0|2,0,0]=4 1404 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [1,0,0,0,1,0|1,0,1]=4 1405 B12R1.19 CC(=Cc1ccc(c(c1)O)C)C 271570a_100102525489_100000766334 [1,0,0,0,1,0|2,0,0]=4 1406 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C 271570a_100102525489_100009813601 [1,0,0,0,1,0|2,0,0]=4 1407 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [1,0,0,0,1,0|1,0,1]=4 1408 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [1,0,0,0,1,0|1,0,1]=4 1409 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [1,0,0,0,1,0|1,0,1]=4 1410 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100015343762 [1,0,0,0,1,0|2,0,0]=4 1411 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000070787 [1,0,0,0,1,0|2,0,0]=4 1412 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 271570a_203496583355_100011221169 [1,0,0,0,1,0|2,0,0]=4 1413 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100103153847 [1,0,0,0,1,0|2,0,0]=4 1414 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [1,0,0,0,1,0|2,0,0]=4 1415 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [1,0,0,0,1,0|2,0,0]=4 1416 B12R1.19 CC(=O)Oc1ccc(c(c1)O)C 271570a_203496583355_200025702335 [1,0,0,0,1,0|2,0,0]=4 1417 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [1,0,0,0,1,0|1,0,1]=4 1418 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [1,0,0,0,1,0|1,0,1]=4 1419 B12R1.48 C=C(C)c1ccc(c(c1)O)OC 271570a_100000694244_100009816560 [0,0,0,0,2,0|2,0,0]=4 1420 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [0,0,0,0,2,0|2,0,0]=4 1421 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [0,0,0,0,2,0|2,0,0]=4 1422 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [0,0,0,0,2,0|2,0,0]=4 1423 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [0,0,0,0,2,0|2,0,0]=4 1424 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [0,0,0,0,2,0|2,0,0]=4 1425 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [0,0,0,0,2,0|2,0,0]=4 1426 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [0,0,0,0,2,0|2,0,0]=4 1427 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [0,0,0,0,2,0|2,0,0]=4 1428 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [0,0,0,0,2,0|2,0,0]=4 1429 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [0,0,0,0,2,0|2,0,0]=4 1430 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [0,0,0,0,2,0|2,0,0]=4 1431 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [0,0,0,0,2,0|2,0,0]=4 1432 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [0,0,0,0,2,0|2,0,0]=4 1433 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [0,0,0,0,2,0|2,0,0]=4 1434 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [0,0,0,0,2,0|2,0,0]=4 1435 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [0,0,0,0,2,0|2,0,0]=4 1436 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [0,0,0,0,2,0|2,0,0]=4 1437 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [0,0,0,0,2,0|2,0,0]=4 1438 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [0,0,0,0,2,0|2,0,0]=4 1439 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [0,0,0,0,2,0|2,0,0]=4 1440 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [0,0,0,0,2,0|2,0,0]=4 1441 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [0,0,0,0,2,0|2,0,0]=4 1442 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [0,0,0,0,2,0|2,0,0]=4 1443 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [0,0,0,0,2,0|2,0,0]=4 1444 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [0,0,0,0,2,0|2,0,0]=4 1445 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [0,0,0,0,2,0|2,0,0]=4 1446 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [0,0,0,0,2,0|2,0,0]=4 1447 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [0,0,0,0,2,0|2,0,0]=4 1448 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [0,0,0,0,2,0|2,0,0]=4 1449 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [0,0,0,0,2,0|2,0,0]=4 1450 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [0,0,0,0,2,0|2,0,0]=4 1451 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [0,0,0,0,2,0|2,0,0]=4 1452 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [0,0,0,0,2,0|2,0,0]=4 1453 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [0,0,0,0,2,0|2,0,0]=4 1454 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [0,0,0,0,2,0|1,0,0]=3 1455 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [0,0,0,0,2,0|1,0,0]=3 1456 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [0,0,0,0,2,0|1,0,0]=3 1457 B12R1.48 COc1ccc(cc1O)C(C)O 271570a_203496583355_100000246541 [0,0,0,0,2,0|1,0,1]=4 1458 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [0,0,0,0,2,0|1,1,0]=4 1459 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [0,0,0,0,2,0|1,1,0]=4 1460 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [0,0,0,0,2,0|2,0,0]=4 1461 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [0,0,0,0,2,0|2,0,0]=4 1462 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [0,0,0,0,2,0|1,1,0]=4 1463 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [0,0,0,0,2,0|1,1,0]=4 1464 B14R1.4 COc1ccc(cc1)C=NNC(=O)C 4a_100000189765_100000169835 [1,0,0,0,0,1|2,0,0]=4 1465 B14R1.4 COc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000742318 [1,0,0,0,0,1|0,0,2]=4 1466 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)O)C 4a_100000189765_100011361566 [1,0,0,0,0,1|2,0,0]=4 1467 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)O)O 4a_100000189765_100000184535 [1,0,0,0,0,1|2,0,0]=4 1468 B14R1.376 COc1cc(cc(c1)C=CC(C)O)O 271570a_200011019289_100010068927 [0,0,0,0,1,1|1,0,1]=4 1469 B14R1.81 COc1cccc(c1O)C=CC(C)O 271570a_200011019289_100000686866 [0,0,0,0,1,1|1,0,1]=4 1470 B16R1.4295 COc1ccc(cc1Br)C=CCOC(=O)C 271570a_200000047263_100011249507 [0,0,0,0,0,2|2,0,0]=4 1471 B16R1.4295 COc1ccc(cc1C)C=CCOC(=O)C 271570a_200000047263_100011219705 [0,0,0,0,0,2|2,0,0]=4 1472 B16R1.4295 COc1ccc(cc1Cl)C=CCOC(=O)C 271570a_200000047263_100012355395 [0,0,0,0,0,2|2,0,0]=4 1473 B16R1.4295 COc1ccc(cc1F)C=CCOC(=O)C 271570a_200000047263_100000185480 [0,0,0,0,0,2|2,0,0]=4 1474 B16R1.4295 COc1ccc(cc1N)C=CCOC(=O)C 271570a_200000047263_100000743470 [0,0,0,0,0,2|2,0,0]=4 1475 B16R1.4295 COc1ccc(cc1O)C=CCOC(=O)C 271570a_200000047263_100009816560 [0,0,0,0,0,2|1,0,0]=3 1476 B16R1.4295 COc1ccc(cc1O)NC/C=C/B(O)O 34a_100000211920_100016262062 [0,0,0,0,0,2|1,0,1]=4 1477 B16R1.4295 COc1ccc(cc1O)SC/C=C/B(O)O 62a_100016262062_100009816560 [0,0,0,0,0,2|1,0,1]=4 1478 B16R1.4295 COc1cnc(cc1O)C=CCOC(=O)C 271570a_200000047263_100010264082 [0,0,0,0,0,2|2,0,0]=4 1479 B16R1.4295 COc1ncc(cc1O)C=CCOC(=O)C 271570a_200000047263_100010135713 [0,0,0,0,0,2|2,0,0]=4