0 B15R1.4038 CCc1cc(ccc1O)SC(C)C(=O)C 62a_100009814033_100012338938 [0,0,0,0,0,0|4,0,0]=4 1 B15R1.4038 CCc1cc(ccc1O)SC(C)C(=O)N 62a_100000702099_100012338938 [0,0,0,0,0,0|4,0,0]=4 2 B15R1.4038 CCc1cc(ccc1O)SC(F)C(=O)N 62a_100009813875_100012338938 [0,0,0,0,0,0|4,0,0]=4 3 B15R1.4038 CCc1cc(ccc1O)SC(F)C(=O)[O-] 62a_100020610796_100012338938 [0,0,0,0,0,0|3,0,1]=4 4 B15R1.4038 COc1cc(ccc1Br)NC(C)C(=O)C 2230a_100000765947_100009814033 [0,0,0,0,0,0|4,0,0]=4 5 B15R1.4038 COc1cc(ccc1Br)NC(C)C(=O)N 2230a_100000765947_100000702099 [0,0,0,0,0,0|4,0,0]=4 6 B15R1.4038 COc1cc(ccc1Br)NC(C)C(=O)N 34a_100000765947_100000702099 [0,0,0,0,0,0|4,0,0]=4 7 B15R1.4038 COc1cc(ccc1Br)NC(F)C(=O)N 2230a_100000765947_100009813875 [0,0,0,0,0,0|4,0,0]=4 8 B15R1.4038 COc1cc(ccc1Br)NC(F)C(=O)N 34a_100000765947_100009813875 [0,0,0,0,0,0|4,0,0]=4 9 B15R1.4038 COc1cc(ccc1Br)NC(F)C(=O)[O-] 34a_100000765947_100020610796 [0,0,0,0,0,0|3,0,1]=4 10 B15R1.4038 COc1cc(ccc1Br)OC(C)C(=O)C 7a_100011827694_100000179758 [0,0,0,0,0,0|4,0,0]=4 11 B15R1.4038 COc1cc(ccc1Br)OC(C)C(=O)N 34a_100011827694_100000702099 [0,0,0,0,0,0|4,0,0]=4 12 B15R1.4038 COc1cc(ccc1Br)OC(C)C(=O)N 7a_100011827694_100000702099 [0,0,0,0,0,0|4,0,0]=4 13 B15R1.4038 COc1cc(ccc1Br)OC(F)C(=O)N 34a_100011827694_100009813875 [0,0,0,0,0,0|4,0,0]=4 14 B15R1.4038 COc1cc(ccc1Br)OC(F)C(=O)N 7a_100011827694_100009813875 [0,0,0,0,0,0|4,0,0]=4 15 B15R1.4038 COc1cc(ccc1Br)OC(F)C(=O)[O-] 34a_100011827694_100020610796 [0,0,0,0,0,0|3,0,1]=4 16 B15R1.4038 COc1cc(ccc1Br)SC(C)C(=O)C 62a_100009814033_100012353699 [0,0,0,0,0,0|4,0,0]=4 17 B15R1.4038 COc1cc(ccc1Br)SC(C)C(=O)C 62a_100012353699_100009814033 [0,0,0,0,0,0|4,0,0]=4 18 B15R1.4038 COc1cc(ccc1Br)SC(C)C(=O)N 62a_100000702099_100012353699 [0,0,0,0,0,0|4,0,0]=4 19 B15R1.4038 COc1cc(ccc1Br)SC(C)C(=O)N 62a_100012353699_100000702099 [0,0,0,0,0,0|4,0,0]=4 20 B15R1.4038 COc1cc(ccc1Br)SC(F)C(=O)N 62a_100009813875_100012353699 [0,0,0,0,0,0|4,0,0]=4 21 B15R1.4038 COc1cc(ccc1Br)SC(F)C(=O)N 62a_100012353699_100009813875 [0,0,0,0,0,0|4,0,0]=4 22 B15R1.4038 COc1cc(ccc1Br)SC(F)C(=O)[O-] 62a_100012353699_100020610796 [0,0,0,0,0,0|3,0,1]=4 23 B15R1.4038 COc1cc(ccc1Br)SC(F)C(=O)[O-] 62a_100020610796_100012353699 [0,0,0,0,0,0|3,0,1]=4 24 B15R1.4038 COc1cc(ccc1C)NC(C)C(=O)C 2230a_100011279678_100009814033 [0,0,0,0,0,0|4,0,0]=4 25 B15R1.4038 COc1cc(ccc1C)NC(C)C(=O)N 2230a_100011279678_100000702099 [0,0,0,0,0,0|4,0,0]=4 26 B15R1.4038 COc1cc(ccc1C)NC(C)C(=O)N 34a_100011279678_100000702099 [0,0,0,0,0,0|4,0,0]=4 27 B15R1.4038 COc1cc(ccc1C)NC(F)C(=O)N 2230a_100011279678_100009813875 [0,0,0,0,0,0|4,0,0]=4 28 B15R1.4038 COc1cc(ccc1C)NC(F)C(=O)N 34a_100011279678_100009813875 [0,0,0,0,0,0|4,0,0]=4 29 B15R1.4038 COc1cc(ccc1C)NC(F)C(=O)[O-] 34a_100011279678_100020610796 [0,0,0,0,0,0|3,0,1]=4 30 B15R1.4038 COc1cc(ccc1C)OC(C)C(=O)C 7a_100009865632_100000179758 [0,0,0,0,0,0|4,0,0]=4 31 B15R1.4038 COc1cc(ccc1C)OC(C)C(=O)N 34a_100009865632_100000702099 [0,0,0,0,0,0|4,0,0]=4 32 B15R1.4038 COc1cc(ccc1C)OC(C)C(=O)N 7a_100009865632_100000702099 [0,0,0,0,0,0|4,0,0]=4 33 B15R1.4038 COc1cc(ccc1C)OC(F)C(=O)N 34a_100009865632_100009813875 [0,0,0,0,0,0|4,0,0]=4 34 B15R1.4038 COc1cc(ccc1C)OC(F)C(=O)N 7a_100009865632_100009813875 [0,0,0,0,0,0|4,0,0]=4 35 B15R1.4038 COc1cc(ccc1C)OC(F)C(=O)[O-] 34a_100009865632_100020610796 [0,0,0,0,0,0|3,0,1]=4 36 B15R1.4038 COc1cc(ccc1C)SC(C)C(=O)C 62a_100009814033_100011830276 [0,0,0,0,0,0|4,0,0]=4 37 B15R1.4038 COc1cc(ccc1C)SC(C)C(=O)C 62a_100011830276_100009814033 [0,0,0,0,0,0|4,0,0]=4 38 B15R1.4038 COc1cc(ccc1C)SC(C)C(=O)N 62a_100000702099_100011830276 [0,0,0,0,0,0|4,0,0]=4 39 B15R1.4038 COc1cc(ccc1C)SC(C)C(=O)N 62a_100011830276_100000702099 [0,0,0,0,0,0|4,0,0]=4 40 B15R1.4038 COc1cc(ccc1C)SC(F)C(=O)N 62a_100009813875_100011830276 [0,0,0,0,0,0|4,0,0]=4 41 B15R1.4038 COc1cc(ccc1C)SC(F)C(=O)N 62a_100011830276_100009813875 [0,0,0,0,0,0|4,0,0]=4 42 B15R1.4038 COc1cc(ccc1C)SC(F)C(=O)[O-] 62a_100011830276_100020610796 [0,0,0,0,0,0|3,0,1]=4 43 B15R1.4038 COc1cc(ccc1C)SC(F)C(=O)[O-] 62a_100020610796_100011830276 [0,0,0,0,0,0|3,0,1]=4 44 B15R1.4038 COc1cc(ccc1Cl)NC(C)C(=O)C 2230a_100000742311_100009814033 [0,0,0,0,0,0|4,0,0]=4 45 B15R1.4038 COc1cc(ccc1Cl)NC(C)C(=O)N 2230a_100000742311_100000702099 [0,0,0,0,0,0|4,0,0]=4 46 B15R1.4038 COc1cc(ccc1Cl)NC(C)C(=O)N 34a_100000742311_100000702099 [0,0,0,0,0,0|4,0,0]=4 47 B15R1.4038 COc1cc(ccc1Cl)NC(F)C(=O)N 2230a_100000742311_100009813875 [0,0,0,0,0,0|4,0,0]=4 48 B15R1.4038 COc1cc(ccc1Cl)NC(F)C(=O)N 34a_100000742311_100009813875 [0,0,0,0,0,0|4,0,0]=4 49 B15R1.4038 COc1cc(ccc1Cl)NC(F)C(=O)[O-] 34a_100000742311_100020610796 [0,0,0,0,0,0|3,0,1]=4 50 B15R1.4038 COc1cc(ccc1Cl)OC(C)C(=O)C 7a_100012186310_100000179758 [0,0,0,0,0,0|4,0,0]=4 51 B15R1.4038 COc1cc(ccc1Cl)OC(C)C(=O)N 34a_100012186310_100000702099 [0,0,0,0,0,0|4,0,0]=4 52 B15R1.4038 COc1cc(ccc1Cl)OC(C)C(=O)N 7a_100012186310_100000702099 [0,0,0,0,0,0|4,0,0]=4 53 B15R1.4038 COc1cc(ccc1Cl)OC(F)C(=O)N 34a_100012186310_100009813875 [0,0,0,0,0,0|4,0,0]=4 54 B15R1.4038 COc1cc(ccc1Cl)OC(F)C(=O)N 7a_100012186310_100009813875 [0,0,0,0,0,0|4,0,0]=4 55 B15R1.4038 COc1cc(ccc1Cl)OC(F)C(=O)[O-] 34a_100012186310_100020610796 [0,0,0,0,0,0|3,0,1]=4 56 B15R1.4038 COc1cc(ccc1Cl)SC(C)C(=O)C 62a_100009814033_100011356853 [0,0,0,0,0,0|4,0,0]=4 57 B15R1.4038 COc1cc(ccc1Cl)SC(C)C(=O)C 62a_100011356853_100009814033 [0,0,0,0,0,0|4,0,0]=4 58 B15R1.4038 COc1cc(ccc1Cl)SC(C)C(=O)N 62a_100000702099_100011356853 [0,0,0,0,0,0|4,0,0]=4 59 B15R1.4038 COc1cc(ccc1Cl)SC(C)C(=O)N 62a_100011356853_100000702099 [0,0,0,0,0,0|4,0,0]=4 60 B15R1.4038 COc1cc(ccc1Cl)SC(F)C(=O)N 62a_100009813875_100011356853 [0,0,0,0,0,0|4,0,0]=4 61 B15R1.4038 COc1cc(ccc1Cl)SC(F)C(=O)N 62a_100011356853_100009813875 [0,0,0,0,0,0|4,0,0]=4 62 B15R1.4038 COc1cc(ccc1Cl)SC(F)C(=O)[O-] 62a_100011356853_100020610796 [0,0,0,0,0,0|3,0,1]=4 63 B15R1.4038 COc1cc(ccc1Cl)SC(F)C(=O)[O-] 62a_100020610796_100011356853 [0,0,0,0,0,0|3,0,1]=4 64 B15R1.4038 COc1cc(ccc1F)NC(C)C(=O)C 2230a_100000701188_100009814033 [0,0,0,0,0,0|4,0,0]=4 65 B15R1.4038 COc1cc(ccc1F)NC(C)C(=O)N 2230a_100000701188_100000702099 [0,0,0,0,0,0|4,0,0]=4 66 B15R1.4038 COc1cc(ccc1F)NC(C)C(=O)N 34a_100000701188_100000702099 [0,0,0,0,0,0|4,0,0]=4 67 B15R1.4038 COc1cc(ccc1F)NC(F)C(=O)N 2230a_100000701188_100009813875 [0,0,0,0,0,0|4,0,0]=4 68 B15R1.4038 COc1cc(ccc1F)NC(F)C(=O)N 34a_100000701188_100009813875 [0,0,0,0,0,0|4,0,0]=4 69 B15R1.4038 COc1cc(ccc1F)NC(F)C(=O)[O-] 34a_100000701188_100020610796 [0,0,0,0,0,0|3,0,1]=4 70 B15R1.4038 COc1cc(ccc1F)OC(C)C(=O)C 7a_100012001760_100000179758 [0,0,0,0,0,0|4,0,0]=4 71 B15R1.4038 COc1cc(ccc1F)OC(C)C(=O)N 34a_100012001760_100000702099 [0,0,0,0,0,0|4,0,0]=4 72 B15R1.4038 COc1cc(ccc1F)OC(C)C(=O)N 7a_100012001760_100000702099 [0,0,0,0,0,0|4,0,0]=4 73 B15R1.4038 COc1cc(ccc1F)OC(F)C(=O)N 34a_100012001760_100009813875 [0,0,0,0,0,0|4,0,0]=4 74 B15R1.4038 COc1cc(ccc1F)OC(F)C(=O)N 7a_100012001760_100009813875 [0,0,0,0,0,0|4,0,0]=4 75 B15R1.4038 COc1cc(ccc1F)OC(F)C(=O)[O-] 34a_100012001760_100020610796 [0,0,0,0,0,0|3,0,1]=4 76 B15R1.4038 COc1cc(ccc1F)SC(C)C(=O)C 62a_100009814033_100011934186 [0,0,0,0,0,0|4,0,0]=4 77 B15R1.4038 COc1cc(ccc1F)SC(C)C(=O)C 62a_100011934186_100009814033 [0,0,0,0,0,0|4,0,0]=4 78 B15R1.4038 COc1cc(ccc1F)SC(C)C(=O)N 62a_100000702099_100011934186 [0,0,0,0,0,0|4,0,0]=4 79 B15R1.4038 COc1cc(ccc1F)SC(C)C(=O)N 62a_100011934186_100000702099 [0,0,0,0,0,0|4,0,0]=4 80 B15R1.4038 COc1cc(ccc1F)SC(F)C(=O)N 62a_100009813875_100011934186 [0,0,0,0,0,0|4,0,0]=4 81 B15R1.4038 COc1cc(ccc1F)SC(F)C(=O)N 62a_100011934186_100009813875 [0,0,0,0,0,0|4,0,0]=4 82 B15R1.4038 COc1cc(ccc1F)SC(F)C(=O)[O-] 62a_100011934186_100020610796 [0,0,0,0,0,0|3,0,1]=4 83 B15R1.4038 COc1cc(ccc1F)SC(F)C(=O)[O-] 62a_100020610796_100011934186 [0,0,0,0,0,0|3,0,1]=4 84 B15R1.4038 COc1cc(ccc1I)NC(C)C(=O)N 34a_100000746945_100000702099 [0,0,0,0,0,0|4,0,0]=4 85 B15R1.4038 COc1cc(ccc1I)NC(F)C(=O)N 34a_100000746945_100009813875 [0,0,0,0,0,0|4,0,0]=4 86 B15R1.4038 COc1cc(ccc1I)NC(F)C(=O)[O-] 34a_100000746945_100020610796 [0,0,0,0,0,0|3,0,1]=4 87 B15R1.4038 COc1cc(ccc1N)OC(C)C(=O)C 7a_100015326901_100000179758 [0,0,0,0,0,0|4,0,0]=4 88 B15R1.4038 COc1cc(ccc1N)OC(C)C(=O)N 34a_100015326901_100000702099 [0,0,0,0,0,0|4,0,0]=4 89 B15R1.4038 COc1cc(ccc1N)OC(C)C(=O)N 7a_100015326901_100000702099 [0,0,0,0,0,0|4,0,0]=4 90 B15R1.4038 COc1cc(ccc1N)OC(F)C(=O)N 34a_100015326901_100009813875 [0,0,0,0,0,0|4,0,0]=4 91 B15R1.4038 COc1cc(ccc1N)OC(F)C(=O)N 7a_100015326901_100009813875 [0,0,0,0,0,0|4,0,0]=4 92 B15R1.4038 COc1cc(ccc1N)OC(F)C(=O)[O-] 34a_100015326901_100020610796 [0,0,0,0,0,0|3,0,1]=4 93 B15R1.4038 COc1cc(ccc1N)SC(C)C(=O)C 62a_100009814033_100015196925 [0,0,0,0,0,0|4,0,0]=4 94 B15R1.4038 COc1cc(ccc1N)SC(C)C(=O)C 62a_100011279103_100009814033 [0,0,0,0,0,0|4,0,0]=4 95 B15R1.4038 COc1cc(ccc1N)SC(C)C(=O)N 62a_100000702099_100015196925 [0,0,0,0,0,0|4,0,0]=4 96 B15R1.4038 COc1cc(ccc1N)SC(C)C(=O)N 62a_100011279103_100000702099 [0,0,0,0,0,0|4,0,0]=4 97 B15R1.4038 COc1cc(ccc1N)SC(F)C(=O)N 62a_100009813875_100015196925 [0,0,0,0,0,0|4,0,0]=4 98 B15R1.4038 COc1cc(ccc1N)SC(F)C(=O)N 62a_100011279103_100009813875 [0,0,0,0,0,0|4,0,0]=4 99 B15R1.4038 COc1cc(ccc1N)SC(F)C(=O)[O-] 62a_100011279103_100020610796 [0,0,0,0,0,0|3,0,1]=4 100 B15R1.4038 COc1cc(ccc1N)SC(F)C(=O)[O-] 62a_100020610796_100015196925 [0,0,0,0,0,0|3,0,1]=4 101 B15R1.4038 COc1cc(ccc1O)NC(=O)C(=O)N 22a_100000726020_100011215815 [0,0,0,0,0,0|3,0,1]=4 102 B15R1.4038 COc1cc(ccc1O)NC(C)C(=O)N 34a_100000726020_100000702099 [0,0,0,0,0,0|3,0,0]=3 103 B15R1.4038 COc1cc(ccc1O)NC(F)C(=O)N 34a_100000726020_100009813875 [0,0,0,0,0,0|3,0,0]=3 104 B15R1.4038 COc1cc(ccc1O)NC(F)C(=O)[O-] 34a_100000726020_100020610796 [0,0,0,0,0,0|2,0,1]=3 105 B15R1.4038 COc1cc(ccc1O)SC(C)C(=O)C 62a_100009814033_100000694246 [0,0,0,0,0,0|3,0,0]=3 106 B15R1.4038 COc1cc(ccc1O)SC(C)C(=O)N 62a_100000702099_100000694246 [0,0,0,0,0,0|3,0,0]=3 107 B15R1.4038 COc1cc(ccc1O)SC(F)C(=O)N 62a_100009813875_100000694246 [0,0,0,0,0,0|3,0,0]=3 108 B15R1.4038 COc1cc(ccc1O)SC(F)C(=O)[O-] 62a_100020610796_100000694246 [0,0,0,0,0,0|2,0,1]=3 109 B15R1.4038 COc1nc(ccc1O)SC(C)C(=O)C 62a_100009814033_100010893133 [0,0,0,0,0,0|4,0,0]=4 110 B15R1.4038 COc1nc(ccc1O)SC(C)C(=O)N 62a_100000702099_100010893133 [0,0,0,0,0,0|4,0,0]=4 111 B15R1.4038 COc1nc(ccc1O)SC(F)C(=O)N 62a_100009813875_100010893133 [0,0,0,0,0,0|4,0,0]=4 112 B15R1.4038 COc1nc(ccc1O)SC(F)C(=O)[O-] 62a_100020610796_100010893133 [0,0,0,0,0,0|3,0,1]=4 113 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)O 34a_100000726020_100000748629 [1,0,0,0,0,0|3,0,0]=4 114 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)O 62a_100000748629_100000694246 [1,0,0,0,0,0|3,0,0]=4 115 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)O 34a_100000726020_100009893438 [1,0,0,0,0,0|3,0,0]=4 116 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)O 62a_100000042424_100000694246 [1,0,0,0,0,0|3,0,0]=4 117 B14R1.42 CCc1cc(ccc1O)SCC(=O)N 62a_100000747473_100012338938 [1,0,0,0,0,0|3,0,0]=4 118 B14R1.42 CCc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100012338938 [1,0,0,0,0,0|2,0,1]=4 119 B14R1.42 COc1cc(ccc1Br)NCC(=O)N 2230a_100000765947_100000747473 [1,0,0,0,0,0|3,0,0]=4 120 B14R1.42 COc1cc(ccc1Br)NCC(=O)N 34a_100000765947_100000187820 [1,0,0,0,0,0|3,0,0]=4 121 B14R1.42 COc1cc(ccc1Br)NCC(=O)[O-] 34a_100000765947_100020667443 [1,0,0,0,0,0|2,0,1]=4 122 B14R1.42 COc1cc(ccc1Br)OCC(=O)N 34a_100011827694_100000187820 [1,0,0,0,0,0|3,0,0]=4 123 B14R1.42 COc1cc(ccc1Br)OCC(=O)N 7a_100011827694_100000187820 [1,0,0,0,0,0|3,0,0]=4 124 B14R1.42 COc1cc(ccc1Br)OCC(=O)[O-] 34a_100011827694_100020667443 [1,0,0,0,0,0|2,0,1]=4 125 B14R1.42 COc1cc(ccc1Br)SCC(=O)N 62a_100000747473_100012353699 [1,0,0,0,0,0|3,0,0]=4 126 B14R1.42 COc1cc(ccc1Br)SCC(=O)N 62a_100012353699_100000747473 [1,0,0,0,0,0|3,0,0]=4 127 B14R1.42 COc1cc(ccc1Br)SCC(=O)[O-] 62a_100012353699_100020667443 [1,0,0,0,0,0|2,0,1]=4 128 B14R1.42 COc1cc(ccc1Br)SCC(=O)[O-] 62a_100020667443_100012353699 [1,0,0,0,0,0|2,0,1]=4 129 B14R1.42 COc1cc(ccc1C)CCC(=O)C 1458a_200000066385_200000210301 [1,0,0,0,0,0|2,0,0]=3 130 B14R1.42 COc1cc(ccc1C)CCC(=O)[13CH3] 1458a_200000066385_200025704644 [1,0,0,0,0,0|2,0,0]=3 131 B14R1.42 COc1cc(ccc1C)NCC(=O)N 2230a_100011279678_100000747473 [1,0,0,0,0,0|3,0,0]=4 132 B14R1.42 COc1cc(ccc1C)NCC(=O)N 34a_100011279678_100000187820 [1,0,0,0,0,0|3,0,0]=4 133 B14R1.42 COc1cc(ccc1C)NCC(=O)[O-] 34a_100011279678_100020667443 [1,0,0,0,0,0|2,0,1]=4 134 B14R1.42 COc1cc(ccc1C)OCC(=O)N 34a_100009865632_100000187820 [1,0,0,0,0,0|3,0,0]=4 135 B14R1.42 COc1cc(ccc1C)OCC(=O)N 7a_100009865632_100000187820 [1,0,0,0,0,0|3,0,0]=4 136 B14R1.42 COc1cc(ccc1C)OCC(=O)[O-] 34a_100009865632_100020667443 [1,0,0,0,0,0|2,0,1]=4 137 B14R1.42 COc1cc(ccc1C)SCC(=O)N 62a_100000747473_100011830276 [1,0,0,0,0,0|3,0,0]=4 138 B14R1.42 COc1cc(ccc1C)SCC(=O)N 62a_100011830276_100000747473 [1,0,0,0,0,0|3,0,0]=4 139 B14R1.42 COc1cc(ccc1C)SCC(=O)[O-] 62a_100011830276_100020667443 [1,0,0,0,0,0|2,0,1]=4 140 B14R1.42 COc1cc(ccc1C)SCC(=O)[O-] 62a_100020667443_100011830276 [1,0,0,0,0,0|2,0,1]=4 141 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 11a_100015204853_100015343762 [1,0,0,0,0,0|3,0,0]=4 142 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 1626a_100015204853_100015343762 [1,0,0,0,0,0|3,0,0]=4 143 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 240690a_100015204853_100015343762 [1,0,0,0,0,0|3,0,0]=4 144 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 527a_100015204853_100103153847 [1,0,0,0,0,0|3,0,0]=4 145 B14R1.42 COc1cc(ccc1Cl)NCC(=O)N 2230a_100000742311_100000747473 [1,0,0,0,0,0|3,0,0]=4 146 B14R1.42 COc1cc(ccc1Cl)NCC(=O)N 34a_100000742311_100000187820 [1,0,0,0,0,0|3,0,0]=4 147 B14R1.42 COc1cc(ccc1Cl)NCC(=O)[O-] 34a_100000742311_100020667443 [1,0,0,0,0,0|2,0,1]=4 148 B14R1.42 COc1cc(ccc1Cl)OCC(=O)N 34a_100012186310_100000187820 [1,0,0,0,0,0|3,0,0]=4 149 B14R1.42 COc1cc(ccc1Cl)OCC(=O)N 7a_100012186310_100000187820 [1,0,0,0,0,0|3,0,0]=4 150 B14R1.42 COc1cc(ccc1Cl)OCC(=O)[O-] 34a_100012186310_100020667443 [1,0,0,0,0,0|2,0,1]=4 151 B14R1.42 COc1cc(ccc1Cl)SCC(=O)N 62a_100000747473_100011356853 [1,0,0,0,0,0|3,0,0]=4 152 B14R1.42 COc1cc(ccc1Cl)SCC(=O)N 62a_100011356853_100000747473 [1,0,0,0,0,0|3,0,0]=4 153 B14R1.42 COc1cc(ccc1Cl)SCC(=O)[O-] 62a_100011356853_100020667443 [1,0,0,0,0,0|2,0,1]=4 154 B14R1.42 COc1cc(ccc1Cl)SCC(=O)[O-] 62a_100020667443_100011356853 [1,0,0,0,0,0|2,0,1]=4 155 B14R1.42 COc1cc(ccc1F)CCC(=O)C 1458a_100009849056_200000210301 [1,0,0,0,0,0|2,0,0]=3 156 B14R1.42 COc1cc(ccc1F)CCC(=O)[13CH3] 1458a_100009849056_200025704644 [1,0,0,0,0,0|2,0,0]=3 157 B14R1.42 COc1cc(ccc1F)CNC(=O)C 11a_100020626639_100015343762 [1,0,0,0,0,0|3,0,0]=4 158 B14R1.42 COc1cc(ccc1F)CNC(=O)C 1626a_100020626639_100015343762 [1,0,0,0,0,0|3,0,0]=4 159 B14R1.42 COc1cc(ccc1F)CNC(=O)C 240690a_100020626639_100015343762 [1,0,0,0,0,0|3,0,0]=4 160 B14R1.42 COc1cc(ccc1F)CNC(=O)C 527a_100020626639_100103153847 [1,0,0,0,0,0|3,0,0]=4 161 B14R1.42 COc1cc(ccc1F)NCC(=O)N 2230a_100000701188_100000747473 [1,0,0,0,0,0|3,0,0]=4 162 B14R1.42 COc1cc(ccc1F)NCC(=O)N 34a_100000701188_100000187820 [1,0,0,0,0,0|3,0,0]=4 163 B14R1.42 COc1cc(ccc1F)NCC(=O)[O-] 34a_100000701188_100020667443 [1,0,0,0,0,0|2,0,1]=4 164 B14R1.42 COc1cc(ccc1F)OCC(=O)N 34a_100012001760_100000187820 [1,0,0,0,0,0|3,0,0]=4 165 B14R1.42 COc1cc(ccc1F)OCC(=O)N 7a_100012001760_100000187820 [1,0,0,0,0,0|3,0,0]=4 166 B14R1.42 COc1cc(ccc1F)OCC(=O)[O-] 34a_100012001760_100020667443 [1,0,0,0,0,0|2,0,1]=4 167 B14R1.42 COc1cc(ccc1F)SCC(=O)N 62a_100000747473_100011934186 [1,0,0,0,0,0|3,0,0]=4 168 B14R1.42 COc1cc(ccc1F)SCC(=O)N 62a_100011934186_100000747473 [1,0,0,0,0,0|3,0,0]=4 169 B14R1.42 COc1cc(ccc1F)SCC(=O)[O-] 62a_100011934186_100020667443 [1,0,0,0,0,0|2,0,1]=4 170 B14R1.42 COc1cc(ccc1F)SCC(=O)[O-] 62a_100020667443_100011934186 [1,0,0,0,0,0|2,0,1]=4 171 B14R1.42 COc1cc(ccc1I)NCC(=O)N 34a_100000746945_100000187820 [1,0,0,0,0,0|3,0,0]=4 172 B14R1.42 COc1cc(ccc1I)NCC(=O)[O-] 34a_100000746945_100020667443 [1,0,0,0,0,0|2,0,1]=4 173 B14R1.42 COc1cc(ccc1N)OCC(=O)N 34a_100015326901_100000187820 [1,0,0,0,0,0|3,0,0]=4 174 B14R1.42 COc1cc(ccc1N)OCC(=O)N 7a_100015326901_100000187820 [1,0,0,0,0,0|3,0,0]=4 175 B14R1.42 COc1cc(ccc1N)OCC(=O)[O-] 34a_100015326901_100020667443 [1,0,0,0,0,0|2,0,1]=4 176 B14R1.42 COc1cc(ccc1N)SCC(=O)N 62a_100000747473_100015196925 [1,0,0,0,0,0|3,0,0]=4 177 B14R1.42 COc1cc(ccc1N)SCC(=O)N 62a_100011279103_100000747473 [1,0,0,0,0,0|3,0,0]=4 178 B14R1.42 COc1cc(ccc1N)SCC(=O)[O-] 62a_100011279103_100020667443 [1,0,0,0,0,0|2,0,1]=4 179 B14R1.42 COc1cc(ccc1N)SCC(=O)[O-] 62a_100020667443_100015196925 [1,0,0,0,0,0|2,0,1]=4 180 B14R1.42 COc1cc(ccc1O)C=CC(=O)C 1458a_100000182119_200000210301 [1,0,0,0,0,0|1,0,2]=4 181 B14R1.42 COc1cc(ccc1O)C=CC(=O)[13CH3] 1458a_100000182119_200025704644 [1,0,0,0,0,0|1,0,2]=4 182 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100000070787_100010741665 [1,0,0,0,0,0|1,0,0]=2 183 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100011216321_200000210301 [1,0,0,0,0,0|1,0,0]=2 184 B14R1.42 COc1cc(ccc1O)CCC(=O)[13CH3] 1458a_100011216321_200025704644 [1,0,0,0,0,0|1,0,0]=2 185 B14R1.42 COc1cc(ccc1O)CCN(C)C 2230a_100102631434_100010741665 [1,0,0,0,0,0|3,0,0]=4 186 B14R1.42 COc1cc(ccc1O)CCN(C)C 269982a_100102631434_100010741665 [1,0,0,0,0,0|3,0,0]=4 187 B14R1.42 COc1cc(ccc1O)CNC(=O)C 11a_100000185554_100015343762 [1,0,0,0,0,0|2,0,0]=3 188 B14R1.42 COc1cc(ccc1O)CNC(=O)C 240690a_100000185554_100015343762 [1,0,0,0,0,0|2,0,0]=3 189 B14R1.42 COc1cc(ccc1O)CNC(=O)C 527a_100000185554_100103153847 [1,0,0,0,0,0|2,0,0]=3 190 B14R1.42 COc1cc(ccc1O)NCC(=O)N 34a_100000726020_100000187820 [1,0,0,0,0,0|2,0,0]=3 191 B14R1.42 COc1cc(ccc1O)NCC(=O)[O-] 34a_100000726020_100020667443 [1,0,0,0,0,0|1,0,1]=3 192 B14R1.42 COc1cc(ccc1O)NCC(C)O 34a_100000726020_100011218427 [1,0,0,0,0,0|2,0,1]=4 193 B14R1.42 COc1cc(ccc1O)NC[C@@H](C)O 34a_100000726020_100009817552 [1,0,0,0,0,0|2,0,1]=4 194 B14R1.42 COc1cc(ccc1O)NC[N+](=O)[O-] 34a_100000726020_100000761209 [1,0,0,0,0,0|2,0,1]=4 195 B14R1.42 COc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000694246 [1,0,0,0,0,0|2,0,0]=3 196 B14R1.42 COc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000694246 [1,0,0,0,0,0|1,0,1]=3 197 B14R1.42 COc1cc(ccc1O)SCC(C)O 62a_100011218427_100000694246 [1,0,0,0,0,0|2,0,1]=4 198 B14R1.42 COc1cc(ccc1O)SC[C@@H](C)O 62a_100009817552_100000694246 [1,0,0,0,0,0|2,0,1]=4 199 B14R1.42 COc1nc(ccc1O)SCC(=O)N 62a_100000747473_100010893133 [1,0,0,0,0,0|3,0,0]=4 200 B14R1.42 COc1nc(ccc1O)SCC(=O)[O-] 62a_100020667443_100010893133 [1,0,0,0,0,0|2,0,1]=4 201 B14R1.75 COc1cccc(c1)CC(O)C(=O)C 1458a_100000693103_200000210301 [1,0,0,0,0,0|2,0,0]=3 202 B14R1.75 COc1cccc(c1)CC(O)C(=O)[13CH3] 1458a_100000693103_200025704644 [1,0,0,0,0,0|2,0,0]=3 203 B14R1.75 COc1cccc(c1)CN(C)C(=O)C 11a_100000184262_100015343762 [1,0,0,0,0,0|3,0,0]=4 204 B14R1.75 COc1cccc(c1)CN(C)C(=O)C 1626a_100000184262_100015343762 [1,0,0,0,0,0|3,0,0]=4 205 B14R1.75 COc1cccc(c1)CN(C)C(=O)C 240690a_100000184262_100015343762 [1,0,0,0,0,0|3,0,0]=4 206 B14R1.75 COc1cccc(c1)CN(C)C(=O)C 527a_100000184262_100103153847 [1,0,0,0,0,0|3,0,0]=4 207 B14R1.75 COc1cccc(c1)NC(C)C(=O)N 34a_100000210024_100000702099 [1,0,0,0,0,0|3,0,0]=4 208 B14R1.75 COc1cccc(c1)NC(F)C(=O)N 34a_100000210024_100009813875 [1,0,0,0,0,0|3,0,0]=4 209 B14R1.75 COc1cccc(c1)NC(F)C(=O)[O-] 34a_100000210024_100020610796 [1,0,0,0,0,0|2,0,1]=4 210 B14R1.75 COc1cccc(c1)OC(C)C(=O)C 1458a_100000216024_200000210301 [1,0,0,0,0,0|3,0,0]=4 211 B14R1.75 COc1cccc(c1)OC(C)C(=O)C 7a_100000211255_100000179758 [1,0,0,0,0,0|3,0,0]=4 212 B14R1.75 COc1cccc(c1)OC(C)C(=O)N 34a_100000211255_100000702099 [1,0,0,0,0,0|3,0,0]=4 213 B14R1.75 COc1cccc(c1)OC(C)C(=O)N 7a_100000211255_100000702099 [1,0,0,0,0,0|3,0,0]=4 214 B14R1.75 COc1cccc(c1)OC(C)C(=O)[13CH3] 1458a_100000216024_200025704644 [1,0,0,0,0,0|3,0,0]=4 215 B14R1.75 COc1cccc(c1)OC(F)C(=O)N 34a_100000211255_100009813875 [1,0,0,0,0,0|3,0,0]=4 216 B14R1.75 COc1cccc(c1)OC(F)C(=O)N 7a_100000211255_100009813875 [1,0,0,0,0,0|3,0,0]=4 217 B14R1.75 COc1cccc(c1)OC(F)C(=O)[O-] 34a_100000211255_100020610796 [1,0,0,0,0,0|2,0,1]=4 218 B14R1.75 COc1cccc(c1)SC(C)C(=O)C 62a_100009814033_100000170001 [1,0,0,0,0,0|3,0,0]=4 219 B14R1.75 COc1cccc(c1)SC(C)C(=O)N 62a_100000702099_100000170001 [1,0,0,0,0,0|3,0,0]=4 220 B14R1.75 COc1cccc(c1)SC(F)C(=O)N 62a_100009813875_100000170001 [1,0,0,0,0,0|3,0,0]=4 221 B14R1.75 COc1cccc(c1)SC(F)C(=O)[O-] 62a_100020610796_100000170001 [1,0,0,0,0,0|2,0,1]=4 222 B14R1.686 CC(=O)C(C)Nc1ccc(c(c1)C)O 7a_100011218179_100000179758 [1,0,0,0,0,0|3,0,0]=4 223 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)C)O 62a_100009814033_100000186361 [1,0,0,0,0,0|3,0,0]=4 224 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)O 62a_100009814033_100009813601 [1,0,0,0,0,0|3,0,0]=4 225 B14R1.686 CC(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200000210301 [1,0,0,0,0,0|2,0,0]=3 226 B14R1.686 CC(=O)N(C)Cc1ccc(c(c1)O)O 240690a_100020587154_100015343762 [1,0,0,0,0,0|3,0,0]=4 227 B14R1.686 CC(Nc1ccc(c(c1)O)O)C(=O)N 34a_100102946323_100000702099 [1,0,0,0,0,0|3,0,0]=4 228 B14R1.686 CC(Sc1ccc(c(c1)O)O)C(=O)N 62a_100000702099_100009813601 [1,0,0,0,0,0|3,0,0]=4 229 B14R1.686 Cc1cc(ccc1O)NC(C)C(=O)N 34a_100011218179_100000702099 [1,0,0,0,0,0|3,0,0]=4 230 B14R1.686 Cc1cc(ccc1O)NC(C)C(=O)N 7a_100011218179_100000702099 [1,0,0,0,0,0|3,0,0]=4 231 B14R1.686 Cc1cc(ccc1O)NC(F)C(=O)N 34a_100011218179_100009813875 [1,0,0,0,0,0|3,0,0]=4 232 B14R1.686 Cc1cc(ccc1O)NC(F)C(=O)N 7a_100011218179_100009813875 [1,0,0,0,0,0|3,0,0]=4 233 B14R1.686 Cc1cc(ccc1O)NC(F)C(=O)[O-] 34a_100011218179_100020610796 [1,0,0,0,0,0|2,0,1]=4 234 B14R1.686 Cc1cc(ccc1O)SC(C)C(=O)N 62a_100000702099_100000186361 [1,0,0,0,0,0|3,0,0]=4 235 B14R1.686 Cc1cc(ccc1O)SC(F)C(=O)N 62a_100009813875_100000186361 [1,0,0,0,0,0|3,0,0]=4 236 B14R1.686 Cc1cc(ccc1O)SC(F)C(=O)[O-] 62a_100020610796_100000186361 [1,0,0,0,0,0|2,0,1]=4 237 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)O)O 34a_100102946323_100009813875 [1,0,0,0,0,0|3,0,0]=4 238 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)O 62a_100009813875_100009813601 [1,0,0,0,0,0|3,0,0]=4 239 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)O)O 34a_100102946323_100020610796 [1,0,0,0,0,0|2,0,1]=4 240 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)O 62a_100020610796_100009813601 [1,0,0,0,0,0|2,0,1]=4 241 B14R1.686 [13CH3]C(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200025704644 [1,0,0,0,0,0|2,0,0]=3 242 B14R1.3405 C=CC(C)Sc1ccc(c(c1)OC)O 62a_100011215867_100000694246 [1,0,0,0,0,0|3,0,0]=4 243 B14R1.3405 COc1cc(ccc1O)NC(C)CO 34a_100000726020_100012180447 [1,0,0,0,0,0|2,0,1]=4 244 B14R1.3405 COc1cc(ccc1O)SC(C)CO 62a_100012180447_100000694246 [1,0,0,0,0,0|2,0,1]=4 245 B14R1.3405 COc1cc(ccc1O)S[C@H](C)CO 62a_100016084084_100000694246 [1,0,0,0,0,0|2,0,1]=4 246 B16R1.405 COc1cc(cc(c1O)O)SC(C)C(=O)C 62a_100009814033_200159242197 [0,1,0,0,0,0|3,0,0]=4 247 B16R1.405 COc1cc(cc(c1O)O)SC(C)C(=O)N 62a_100000702099_200159242197 [0,1,0,0,0,0|3,0,0]=4 248 B16R1.405 COc1cc(cc(c1O)O)SC(F)C(=O)N 62a_100009813875_200159242197 [0,1,0,0,0,0|3,0,0]=4 249 B16R1.405 COc1cc(cc(c1O)O)SC(F)C(=O)[O-] 62a_100020610796_200159242197 [0,1,0,0,0,0|2,0,1]=4 250 B16R1.4274 COc1cc(ccc1CO)NC(C)C(=O)N 34a_100012183141_100000702099 [0,1,0,0,0,0|3,0,0]=4 251 B16R1.4274 COc1cc(ccc1CO)NC(F)C(=O)N 34a_100012183141_100009813875 [0,1,0,0,0,0|3,0,0]=4 252 B16R1.4274 COc1cc(ccc1CO)NC(F)C(=O)[O-] 34a_100012183141_100020610796 [0,1,0,0,0,0|2,0,1]=4 253 B16R1.4274 COc1cc(ccc1CO)OC(C)C(=O)N 34a_200000116926_100000702099 [0,1,0,0,0,0|3,0,0]=4 254 B16R1.4274 COc1cc(ccc1CO)OC(F)C(=O)N 34a_200000116926_100009813875 [0,1,0,0,0,0|3,0,0]=4 255 B16R1.4274 COc1cc(ccc1CO)OC(F)C(=O)[O-] 34a_200000116926_100020610796 [0,1,0,0,0,0|2,0,1]=4 256 B16R1.4274 COc1cc(ccc1CO)SC(C)C(=O)C 62a_100009814033_100011277633 [0,1,0,0,0,0|3,0,0]=4 257 B16R1.4274 COc1cc(ccc1CO)SC(C)C(=O)C 62a_100011277633_100009814033 [0,1,0,0,0,0|3,0,0]=4 258 B16R1.4274 COc1cc(ccc1CO)SC(C)C(=O)N 62a_100000702099_100011277633 [0,1,0,0,0,0|3,0,0]=4 259 B16R1.4274 COc1cc(ccc1CO)SC(C)C(=O)N 62a_100011277633_100000702099 [0,1,0,0,0,0|3,0,0]=4 260 B16R1.4274 COc1cc(ccc1CO)SC(F)C(=O)N 62a_100009813875_100011277633 [0,1,0,0,0,0|3,0,0]=4 261 B16R1.4274 COc1cc(ccc1CO)SC(F)C(=O)N 62a_100011277633_100009813875 [0,1,0,0,0,0|3,0,0]=4 262 B16R1.4274 COc1cc(ccc1CO)SC(F)C(=O)[O-] 62a_100011277633_100020610796 [0,1,0,0,0,0|2,0,1]=4 263 B16R1.4274 COc1cc(ccc1CO)SC(F)C(=O)[O-] 62a_100020610796_100011277633 [0,1,0,0,0,0|2,0,1]=4 264 B16R1.4274 COc1ccc(cc1OC)CN(C)C(=O)C 1626a_100000180827_100015343762 [0,1,0,0,0,0|3,0,0]=4 265 B16R1.4274 COc1ccc(cc1OC)CN(C)C(=O)C 240690a_100000180827_100015343762 [0,1,0,0,0,0|3,0,0]=4 266 B16R1.4274 COc1ccc(cc1OC)CN(C)C(=O)C 527a_100000180827_100103153847 [0,1,0,0,0,0|3,0,0]=4 267 B16R1.4274 COc1ccc(cc1OC)NC(C)C(=O)N 34a_100000187404_100000702099 [0,1,0,0,0,0|3,0,0]=4 268 B16R1.4274 COc1ccc(cc1OC)NC(F)C(=O)N 34a_100000187404_100009813875 [0,1,0,0,0,0|3,0,0]=4 269 B16R1.4274 COc1ccc(cc1OC)NC(F)C(=O)[O-] 34a_100000187404_100020610796 [0,1,0,0,0,0|2,0,1]=4 270 B16R1.4274 COc1ccc(cc1OC)OC(C)C(=O)N 34a_100000039706_100000702099 [0,1,0,0,0,0|3,0,0]=4 271 B16R1.4274 COc1ccc(cc1OC)OC(F)C(=O)N 34a_100000039706_100009813875 [0,1,0,0,0,0|3,0,0]=4 272 B16R1.4274 COc1ccc(cc1OC)OC(F)C(=O)[O-] 34a_100000039706_100020610796 [0,1,0,0,0,0|2,0,1]=4 273 B16R1.4274 COc1ccc(cc1OC)SC(C)C(=O)C 62a_100009814033_100011356967 [0,1,0,0,0,0|3,0,0]=4 274 B16R1.4274 COc1ccc(cc1OC)SC(C)C(=O)N 62a_100000702099_100011356967 [0,1,0,0,0,0|3,0,0]=4 275 B16R1.4274 COc1ccc(cc1OC)SC(F)C(=O)N 62a_100009813875_100011356967 [0,1,0,0,0,0|3,0,0]=4 276 B16R1.4274 COc1ccc(cc1OC)SC(F)C(=O)[O-] 62a_100020610796_100011356967 [0,1,0,0,0,0|2,0,1]=4 277 B16R1.4730 CCC(=O)C(C)Sc1ccc(c(c1)OC)O 62a_100000742827_100000694246 [0,1,0,0,0,0|3,0,0]=4 278 B16R1.4730 CCc1cc(ccc1O)SC(C)C(=O)OC 62a_100000211248_100012338938 [0,1,0,0,0,0|3,0,0]=4 279 B16R1.4730 CNC(=O)C(C)Nc1ccc(c(c1)OC)O 34a_100000726020_100000731044 [0,1,0,0,0,0|3,0,0]=4 280 B16R1.4730 CNC(=O)C(C)Sc1ccc(c(c1)OC)O 62a_100000209862_100000694246 [0,1,0,0,0,0|3,0,0]=4 281 B16R1.4730 CNC(=O)C(F)Nc1ccc(c(c1)OC)O 34a_100000726020_100009813575 [0,1,0,0,0,0|3,0,0]=4 282 B16R1.4730 CNC(=O)C(F)Sc1ccc(c(c1)OC)O 62a_100009813575_100000694246 [0,1,0,0,0,0|3,0,0]=4 283 B16R1.4730 COC(=O)C(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100000024059 [0,1,0,0,0,0|2,0,1]=4 284 B16R1.4730 COC(=O)C(C)Nc1ccc(c(c1)OC)Br 2230a_100000765947_100000211248 [0,1,0,0,0,0|3,0,0]=4 285 B16R1.4730 COC(=O)C(C)Nc1ccc(c(c1)OC)Br 34a_100000765947_100000211248 [0,1,0,0,0,0|3,0,0]=4 286 B16R1.4730 COC(=O)C(C)Nc1ccc(c(c1)OC)C 2230a_100011279678_100000211248 [0,1,0,0,0,0|3,0,0]=4 287 B16R1.4730 COC(=O)C(C)Nc1ccc(c(c1)OC)C 34a_100011279678_100000211248 [0,1,0,0,0,0|3,0,0]=4 288 B16R1.4730 COC(=O)C(C)Nc1ccc(c(c1)OC)Cl 2230a_100000742311_100000211248 [0,1,0,0,0,0|3,0,0]=4 289 B16R1.4730 COC(=O)C(C)Nc1ccc(c(c1)OC)Cl 34a_100000742311_100000211248 [0,1,0,0,0,0|3,0,0]=4 290 B16R1.4730 COC(=O)C(C)Nc1ccc(c(c1)OC)F 2230a_100000701188_100000211248 [0,1,0,0,0,0|3,0,0]=4 291 B16R1.4730 COC(=O)C(C)Nc1ccc(c(c1)OC)F 34a_100000701188_100000211248 [0,1,0,0,0,0|3,0,0]=4 292 B16R1.4730 COC(=O)C(C)Nc1ccc(c(c1)OC)I 34a_100000746945_100000211248 [0,1,0,0,0,0|3,0,0]=4 293 B16R1.4730 COC(=O)C(C)Nc1ccc(c(c1)OC)O 34a_100000726020_100000211248 [0,1,0,0,0,0|2,0,0]=3 294 B16R1.4730 COC(=O)C(C)Oc1ccc(c(c1)OC)Br 34a_100011827694_100000211248 [0,1,0,0,0,0|3,0,0]=4 295 B16R1.4730 COC(=O)C(C)Oc1ccc(c(c1)OC)Br 7a_100011827694_100000211248 [0,1,0,0,0,0|3,0,0]=4 296 B16R1.4730 COC(=O)C(C)Oc1ccc(c(c1)OC)C 34a_100009865632_100000211248 [0,1,0,0,0,0|3,0,0]=4 297 B16R1.4730 COC(=O)C(C)Oc1ccc(c(c1)OC)C 7a_100009865632_100000211248 [0,1,0,0,0,0|3,0,0]=4 298 B16R1.4730 COC(=O)C(C)Oc1ccc(c(c1)OC)Cl 34a_100012186310_100000211248 [0,1,0,0,0,0|3,0,0]=4 299 B16R1.4730 COC(=O)C(C)Oc1ccc(c(c1)OC)Cl 7a_100012186310_100000211248 [0,1,0,0,0,0|3,0,0]=4 300 B16R1.4730 COC(=O)C(C)Oc1ccc(c(c1)OC)F 34a_100012001760_100000211248 [0,1,0,0,0,0|3,0,0]=4 301 B16R1.4730 COC(=O)C(C)Oc1ccc(c(c1)OC)F 7a_100012001760_100000211248 [0,1,0,0,0,0|3,0,0]=4 302 B16R1.4730 COC(=O)C(C)Oc1ccc(c(c1)OC)N 34a_100015326901_100000211248 [0,1,0,0,0,0|3,0,0]=4 303 B16R1.4730 COC(=O)C(C)Oc1ccc(c(c1)OC)N 7a_100015326901_100000211248 [0,1,0,0,0,0|3,0,0]=4 304 B16R1.4730 COC(=O)C(C)Sc1ccc(c(c1)OC)Br 62a_100000211248_100012353699 [0,1,0,0,0,0|3,0,0]=4 305 B16R1.4730 COC(=O)C(C)Sc1ccc(c(c1)OC)Br 62a_100012353699_100000211248 [0,1,0,0,0,0|3,0,0]=4 306 B16R1.4730 COC(=O)C(C)Sc1ccc(c(c1)OC)C 62a_100000211248_100011830276 [0,1,0,0,0,0|3,0,0]=4 307 B16R1.4730 COC(=O)C(C)Sc1ccc(c(c1)OC)C 62a_100011830276_100000211248 [0,1,0,0,0,0|3,0,0]=4 308 B16R1.4730 COC(=O)C(C)Sc1ccc(c(c1)OC)Cl 62a_100000211248_100011356853 [0,1,0,0,0,0|3,0,0]=4 309 B16R1.4730 COC(=O)C(C)Sc1ccc(c(c1)OC)Cl 62a_100011356853_100000211248 [0,1,0,0,0,0|3,0,0]=4 310 B16R1.4730 COC(=O)C(C)Sc1ccc(c(c1)OC)F 62a_100000211248_100011934186 [0,1,0,0,0,0|3,0,0]=4 311 B16R1.4730 COC(=O)C(C)Sc1ccc(c(c1)OC)F 62a_100011934186_100000211248 [0,1,0,0,0,0|3,0,0]=4 312 B16R1.4730 COC(=O)C(C)Sc1ccc(c(c1)OC)N 62a_100000211248_100015196925 [0,1,0,0,0,0|3,0,0]=4 313 B16R1.4730 COC(=O)C(C)Sc1ccc(c(c1)OC)N 62a_100011279103_100000211248 [0,1,0,0,0,0|3,0,0]=4 314 B16R1.4730 COC(=O)C(C)Sc1ccc(c(c1)OC)O 62a_100000211248_100000694246 [0,1,0,0,0,0|2,0,0]=3 315 B16R1.4730 COC(=O)C(C)Sc1ccc(c(n1)OC)O 62a_100000211248_100010893133 [0,1,0,0,0,0|3,0,0]=4 316 B16R1.4731 COc1cc(ccc1O)C(=O)C(C)C(=O)C 1458a_100000687070_100000179758 [0,1,0,0,0,0|2,0,1]=4 317 B16R1.4731 COc1cc(ccc1O)C(=O)C(C)C(=O)N 1458a_100000687070_100000702099 [0,1,0,0,0,0|2,0,1]=4 318 B16R1.4731 COc1cc(ccc1O)C(=O)C(F)C(=O)N 1458a_100000687070_100009813875 [0,1,0,0,0,0|2,0,1]=4 319 B16R1.4731 COc1cc(ccc1O)C(=O)C(F)C(=O)[O-] 1458a_100000687070_100020610796 [0,1,0,0,0,0|1,0,2]=4 320 B16R1.4763 CCC(Nc1ccc(c(c1)OC)O)C(=O)N 34a_100000726020_100000750255 [0,1,0,0,0,0|3,0,0]=4 321 B16R1.4763 CCC(Sc1ccc(c(c1)OC)O)C(=O)N 62a_100000750255_100000694246 [0,1,0,0,0,0|3,0,0]=4 322 B16R1.20028 COc1cc(c(cc1O)F)SC(C)C(=O)C 62a_100009814033_100010189133 [0,1,0,0,0,0|3,0,0]=4 323 B16R1.20028 COc1cc(c(cc1O)F)SC(C)C(=O)N 62a_100000702099_100010189133 [0,1,0,0,0,0|3,0,0]=4 324 B16R1.20028 COc1cc(c(cc1O)F)SC(F)C(=O)N 62a_100009813875_100010189133 [0,1,0,0,0,0|3,0,0]=4 325 B16R1.20028 COc1cc(c(cc1O)F)SC(F)C(=O)[O-] 62a_100020610796_100010189133 [0,1,0,0,0,0|2,0,1]=4 326 B16R1.27683 COc1cc(ccc1O)NC(C)(C)C(=O)N 34a_100000726020_100000702505 [0,1,0,0,0,0|3,0,0]=4 327 B16R1.27683 COc1cc(ccc1O)NC(F)(F)C(=O)[O-] 34a_100000726020_100020612412 [0,1,0,0,0,0|2,0,1]=4 328 B16R1.27683 COc1cc(ccc1O)SC(C)(C)C(=O)C 62a_100000075568_100000694246 [0,1,0,0,0,0|3,0,0]=4 329 B16R1.27683 COc1cc(ccc1O)SC(C)(C)C(=O)N 62a_100000702505_100000694246 [0,1,0,0,0,0|3,0,0]=4 330 B16R1.27683 COc1cc(ccc1O)SC(F)(F)C(=O)N 62a_100009811971_100000694246 [0,1,0,0,0,0|3,0,0]=4 331 B16R1.27683 COc1cc(ccc1O)SC(F)(F)C(=O)[O-] 62a_100000745680_100000694246 [0,1,0,0,0,0|2,0,1]=4 332 B16R2.6257 CC(=O)C(C)Cc1ccc2c(c1)OCO2 1458a_100000062412_200000210301 [0,0,0,1,0,0|2,0,0]=3 333 B16R2.6257 CC(=O)C(C)Nc1ccc2c(c1)OCO2 2230a_100000209953_100009814033 [0,0,0,1,0,0|3,0,0]=4 334 B16R2.6257 CC(=O)C(C)Oc1ccc2c(c1)OCO2 1458a_100000246018_200000210301 [0,0,0,1,0,0|3,0,0]=4 335 B16R2.6257 CC(=O)N(C)Cc1ccc2c(c1)OCO2 11a_100000186720_100015343762 [0,0,0,1,0,0|3,0,0]=4 336 B16R2.6257 CC(=O)N(C)Cc1ccc2c(c1)OCO2 240690a_100000186720_100015343762 [0,0,0,1,0,0|3,0,0]=4 337 B16R2.6257 CC(=O)N(C)Cc1ccc2c(c1)OCO2 527a_100000186720_100103153847 [0,0,0,1,0,0|3,0,0]=4 338 B16R2.6257 CC(Cc1ccc2c(c1)OCO2)C(=O)[13CH3] 1458a_100000062412_200025704644 [0,0,0,1,0,0|2,0,0]=3 339 B16R2.6257 CC(Nc1ccc2c(c1)OCO2)C(=O)N 2230a_100000209953_100000702099 [0,0,0,1,0,0|3,0,0]=4 340 B16R2.6257 CC(Nc1ccc2c(c1)OCO2)C(=O)N 34a_100000209953_100000702099 [0,0,0,1,0,0|3,0,0]=4 341 B16R2.6257 CC(Oc1ccc2c(c1)OCO2)C(=O)N 34a_100000210298_100000702099 [0,0,0,1,0,0|3,0,0]=4 342 B16R2.6257 CC(Oc1ccc2c(c1)OCO2)C(=O)[13CH3] 1458a_100000246018_200025704644 [0,0,0,1,0,0|3,0,0]=4 343 B16R2.6257 NC(=O)C(F)Nc1ccc2c(c1)OCO2 2230a_100000209953_100009813875 [0,0,0,1,0,0|3,0,0]=4 344 B16R2.6257 NC(=O)C(F)Nc1ccc2c(c1)OCO2 34a_100000209953_100009813875 [0,0,0,1,0,0|3,0,0]=4 345 B16R2.6257 NC(=O)C(F)Oc1ccc2c(c1)OCO2 34a_100000210298_100009813875 [0,0,0,1,0,0|3,0,0]=4 346 B16R2.6257 O=C([O-])C(F)Nc1ccc2c(c1)OCO2 34a_100000209953_100020610796 [0,0,0,1,0,0|2,0,1]=4 347 B16R2.6257 O=C([O-])C(F)Oc1ccc2c(c1)OCO2 34a_100000210298_100020610796 [0,0,0,1,0,0|2,0,1]=4 348 B16R2.6906 COc1cc(ccc1O)NC2CCC2=O 34a_100000726020_100009892977 [0,0,0,1,0,0|3,0,0]=4 349 B16R2.6906 COc1cc(ccc1O)SC2CCC2=O 62a_100009892977_100000694246 [0,0,0,1,0,0|3,0,0]=4 350 B14R1.41 COc1cc(ccc1O)C(O)C(=O)C 1458a_100000036414_200000210301 [0,0,0,0,1,0|2,0,0]=3 351 B14R1.41 COc1cc(ccc1O)C(O)C(=O)[13CH3] 1458a_100000036414_200025704644 [0,0,0,0,1,0|2,0,0]=3 352 B16R1.4710 COc1cc(ccc1Br)CN[C@@H](C)C(=O)O 269956a_100000743915_100010110085 [0,0,0,0,0,1|2,0,0]=3 353 B16R1.4710 COc1cc(ccc1Br)CN[C@H](C)C(=O)N 2230a_100000119354_100010110085 [0,0,0,0,0,1|3,0,0]=4 354 B16R1.4710 COc1cc(ccc1Br)CN[C@H](C)C(=O)N 270004a_100000119354_100010244714 [0,0,0,0,0,1|3,0,0]=4 355 B16R1.4710 COc1cc(ccc1Br)CN[C@H](C)C(=O)N 34a_100000119354_100010110085 [0,0,0,0,0,1|3,0,0]=4 356 B16R1.4710 COc1cc(ccc1Br)COC(C)C(=O)C 34a_100000212229_100010110085 [0,0,0,0,0,1|3,0,0]=4 357 B16R1.4710 COc1cc(ccc1Br)COC(C)C(=O)C 7a_100010234685_100000179758 [0,0,0,0,0,1|3,0,0]=4 358 B16R1.4710 COc1cc(ccc1Br)COC(C)C(=O)N 34a_100010234685_100000702099 [0,0,0,0,0,1|3,0,0]=4 359 B16R1.4710 COc1cc(ccc1Br)COC(C)C(=O)N 7a_100010234685_100000702099 [0,0,0,0,0,1|3,0,0]=4 360 B16R1.4710 COc1cc(ccc1Br)COC(F)C(=O)N 34a_100010234685_100009813875 [0,0,0,0,0,1|3,0,0]=4 361 B16R1.4710 COc1cc(ccc1Br)COC(F)C(=O)N 7a_100010234685_100009813875 [0,0,0,0,0,1|3,0,0]=4 362 B16R1.4710 COc1cc(ccc1Br)COC(F)C(=O)[O-] 34a_100010234685_100020610796 [0,0,0,0,0,1|2,0,1]=4 363 B16R1.4710 COc1cc(ccc1Br)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100010110085 [0,0,0,0,0,1|2,0,1]=4 364 B16R1.4710 COc1cc(ccc1Br)CO[C@H](C)C(=O)N 34a_100000731257_100010110085 [0,0,0,0,0,1|3,0,0]=4 365 B16R1.4710 COc1cc(ccc1Br)CO[C@H](C)C(=O)N 7a_100000731257_100010110085 [0,0,0,0,0,1|3,0,0]=4 366 B16R1.4710 COc1cc(ccc1Br)CSC(C)C(=O)C 62a_100009814033_100010110085 [0,0,0,0,0,1|3,0,0]=4 367 B16R1.4710 COc1cc(ccc1Br)CSC(C)C(=O)C 62a_100010110085_100009814033 [0,0,0,0,0,1|3,0,0]=4 368 B16R1.4710 COc1cc(ccc1Br)CSC(C)C(=O)N 62a_100000702099_100010110085 [0,0,0,0,0,1|3,0,0]=4 369 B16R1.4710 COc1cc(ccc1Br)CSC(C)C(=O)N 62a_100010110085_100000702099 [0,0,0,0,0,1|3,0,0]=4 370 B16R1.4710 COc1cc(ccc1Br)CSC(F)C(=O)N 62a_100009813875_100010110085 [0,0,0,0,0,1|3,0,0]=4 371 B16R1.4710 COc1cc(ccc1Br)CSC(F)C(=O)N 62a_100010110085_100009813875 [0,0,0,0,0,1|3,0,0]=4 372 B16R1.4710 COc1cc(ccc1Br)CSC(F)C(=O)[O-] 62a_100010110085_100020610796 [0,0,0,0,0,1|2,0,1]=4 373 B16R1.4710 COc1cc(ccc1Br)CSC(F)C(=O)[O-] 62a_100020610796_100010110085 [0,0,0,0,0,1|2,0,1]=4 374 B16R1.4710 COc1cc(ccc1C)CN[C@H](C)C(=O)N 270004a_100000119354_100000719150 [0,0,0,0,0,1|3,0,0]=4 375 B16R1.4710 COc1cc(ccc1C)COC(C)C(=O)C 7a_100000752651_100000179758 [0,0,0,0,0,1|3,0,0]=4 376 B16R1.4710 COc1cc(ccc1C)COC(C)C(=O)N 34a_100000752651_100000702099 [0,0,0,0,0,1|3,0,0]=4 377 B16R1.4710 COc1cc(ccc1C)COC(C)C(=O)N 7a_100000752651_100000702099 [0,0,0,0,0,1|3,0,0]=4 378 B16R1.4710 COc1cc(ccc1C)COC(F)C(=O)N 34a_100000752651_100009813875 [0,0,0,0,0,1|3,0,0]=4 379 B16R1.4710 COc1cc(ccc1C)COC(F)C(=O)N 7a_100000752651_100009813875 [0,0,0,0,0,1|3,0,0]=4 380 B16R1.4710 COc1cc(ccc1C)COC(F)C(=O)[O-] 34a_100000752651_100020610796 [0,0,0,0,0,1|2,0,1]=4 381 B16R1.4710 COc1cc(ccc1Cl)CNC(C)C(=O)C 2230a_100015204853_100009814033 [0,0,0,0,0,1|3,0,0]=4 382 B16R1.4710 COc1cc(ccc1Cl)CNC(C)C(=O)N 2230a_100015204853_100000702099 [0,0,0,0,0,1|3,0,0]=4 383 B16R1.4710 COc1cc(ccc1Cl)CNC(C)C(=O)N 34a_100015204853_100000702099 [0,0,0,0,0,1|3,0,0]=4 384 B16R1.4710 COc1cc(ccc1Cl)CNC(F)C(=O)N 2230a_100015204853_100009813875 [0,0,0,0,0,1|3,0,0]=4 385 B16R1.4710 COc1cc(ccc1Cl)CNC(F)C(=O)N 34a_100015204853_100009813875 [0,0,0,0,0,1|3,0,0]=4 386 B16R1.4710 COc1cc(ccc1Cl)CNC(F)C(=O)[O-] 34a_100015204853_100020610796 [0,0,0,0,0,1|2,0,1]=4 387 B16R1.4710 COc1cc(ccc1Cl)CN[C@@H](C)C(=O)O 269956a_100000743915_200010214485 [0,0,0,0,0,1|2,0,0]=3 388 B16R1.4710 COc1cc(ccc1Cl)CN[C@H](C)C(=O)N 2230a_100000119354_200010214485 [0,0,0,0,0,1|3,0,0]=4 389 B16R1.4710 COc1cc(ccc1Cl)CN[C@H](C)C(=O)N 270004a_100000119354_100011998524 [0,0,0,0,0,1|3,0,0]=4 390 B16R1.4710 COc1cc(ccc1Cl)CN[C@H](C)C(=O)N 34a_100000119354_200010214485 [0,0,0,0,0,1|3,0,0]=4 391 B16R1.4710 COc1cc(ccc1Cl)COC(C)C(=O)C 34a_100000212229_200010214485 [0,0,0,0,0,1|3,0,0]=4 392 B16R1.4710 COc1cc(ccc1Cl)COC(C)C(=O)N 34a_100012179228_100000702099 [0,0,0,0,0,1|3,0,0]=4 393 B16R1.4710 COc1cc(ccc1Cl)COC(F)C(=O)N 34a_100012179228_100009813875 [0,0,0,0,0,1|3,0,0]=4 394 B16R1.4710 COc1cc(ccc1Cl)COC(F)C(=O)[O-] 34a_100012179228_100020610796 [0,0,0,0,0,1|2,0,1]=4 395 B16R1.4710 COc1cc(ccc1Cl)CO[C@@H](C)C(=O)[O-] 7a_217856618621_200010214485 [0,0,0,0,0,1|2,0,1]=4 396 B16R1.4710 COc1cc(ccc1Cl)CO[C@H](C)C(=O)N 34a_100000731257_200010214485 [0,0,0,0,0,1|3,0,0]=4 397 B16R1.4710 COc1cc(ccc1Cl)CO[C@H](C)C(=O)N 7a_100000731257_200010214485 [0,0,0,0,0,1|3,0,0]=4 398 B16R1.4710 COc1cc(ccc1Cl)CSC(C)C(=O)C 62a_100009814033_200010214485 [0,0,0,0,0,1|3,0,0]=4 399 B16R1.4710 COc1cc(ccc1Cl)CSC(C)C(=O)C 62a_200010214485_100009814033 [0,0,0,0,0,1|3,0,0]=4 400 B16R1.4710 COc1cc(ccc1Cl)CSC(C)C(=O)N 62a_100000702099_200010214485 [0,0,0,0,0,1|3,0,0]=4 401 B16R1.4710 COc1cc(ccc1Cl)CSC(C)C(=O)N 62a_200010214485_100000702099 [0,0,0,0,0,1|3,0,0]=4 402 B16R1.4710 COc1cc(ccc1Cl)CSC(F)C(=O)N 62a_100009813875_200010214485 [0,0,0,0,0,1|3,0,0]=4 403 B16R1.4710 COc1cc(ccc1Cl)CSC(F)C(=O)N 62a_200010214485_100009813875 [0,0,0,0,0,1|3,0,0]=4 404 B16R1.4710 COc1cc(ccc1Cl)CSC(F)C(=O)[O-] 62a_100020610796_200010214485 [0,0,0,0,0,1|2,0,1]=4 405 B16R1.4710 COc1cc(ccc1Cl)CSC(F)C(=O)[O-] 62a_200010214485_100020610796 [0,0,0,0,0,1|2,0,1]=4 406 B16R1.4710 COc1cc(ccc1F)CNC(C)C(=O)C 2230a_100020626639_100009814033 [0,0,0,0,0,1|3,0,0]=4 407 B16R1.4710 COc1cc(ccc1F)CNC(C)C(=O)N 2230a_100020626639_100000702099 [0,0,0,0,0,1|3,0,0]=4 408 B16R1.4710 COc1cc(ccc1F)CNC(C)C(=O)N 34a_100020626639_100000702099 [0,0,0,0,0,1|3,0,0]=4 409 B16R1.4710 COc1cc(ccc1F)CNC(F)C(=O)N 2230a_100020626639_100009813875 [0,0,0,0,0,1|3,0,0]=4 410 B16R1.4710 COc1cc(ccc1F)CNC(F)C(=O)N 34a_100020626639_100009813875 [0,0,0,0,0,1|3,0,0]=4 411 B16R1.4710 COc1cc(ccc1F)CNC(F)C(=O)[O-] 34a_100020626639_100020610796 [0,0,0,0,0,1|2,0,1]=4 412 B16R1.4710 COc1cc(ccc1F)CN[C@@H](C)C(=O)O 269956a_100000743915_100012349856 [0,0,0,0,0,1|2,0,0]=3 413 B16R1.4710 COc1cc(ccc1F)CN[C@H](C)C(=O)N 2230a_100000119354_100012349856 [0,0,0,0,0,1|3,0,0]=4 414 B16R1.4710 COc1cc(ccc1F)CN[C@H](C)C(=O)N 270004a_100000119354_100000692873 [0,0,0,0,0,1|3,0,0]=4 415 B16R1.4710 COc1cc(ccc1F)CN[C@H](C)C(=O)N 34a_100000119354_100012349856 [0,0,0,0,0,1|3,0,0]=4 416 B16R1.4710 COc1cc(ccc1F)COC(C)C(=O)C 34a_100000212229_100012349856 [0,0,0,0,0,1|3,0,0]=4 417 B16R1.4710 COc1cc(ccc1F)COC(C)C(=O)C 7a_100000692429_100000179758 [0,0,0,0,0,1|3,0,0]=4 418 B16R1.4710 COc1cc(ccc1F)COC(C)C(=O)N 34a_100000692429_100000702099 [0,0,0,0,0,1|3,0,0]=4 419 B16R1.4710 COc1cc(ccc1F)COC(C)C(=O)N 7a_100000692429_100000702099 [0,0,0,0,0,1|3,0,0]=4 420 B16R1.4710 COc1cc(ccc1F)COC(F)C(=O)N 34a_100000692429_100009813875 [0,0,0,0,0,1|3,0,0]=4 421 B16R1.4710 COc1cc(ccc1F)COC(F)C(=O)N 7a_100000692429_100009813875 [0,0,0,0,0,1|3,0,0]=4 422 B16R1.4710 COc1cc(ccc1F)COC(F)C(=O)[O-] 34a_100000692429_100020610796 [0,0,0,0,0,1|2,0,1]=4 423 B16R1.4710 COc1cc(ccc1F)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100012349856 [0,0,0,0,0,1|2,0,1]=4 424 B16R1.4710 COc1cc(ccc1F)CO[C@H](C)C(=O)N 34a_100000731257_100012349856 [0,0,0,0,0,1|3,0,0]=4 425 B16R1.4710 COc1cc(ccc1F)CO[C@H](C)C(=O)N 7a_100000731257_100012349856 [0,0,0,0,0,1|3,0,0]=4 426 B16R1.4710 COc1cc(ccc1F)CSC(C)C(=O)C 62a_100009814033_100012349856 [0,0,0,0,0,1|3,0,0]=4 427 B16R1.4710 COc1cc(ccc1F)CSC(C)C(=O)C 62a_100012349856_100009814033 [0,0,0,0,0,1|3,0,0]=4 428 B16R1.4710 COc1cc(ccc1F)CSC(C)C(=O)N 62a_100000702099_100012349856 [0,0,0,0,0,1|3,0,0]=4 429 B16R1.4710 COc1cc(ccc1F)CSC(C)C(=O)N 62a_100012349856_100000702099 [0,0,0,0,0,1|3,0,0]=4 430 B16R1.4710 COc1cc(ccc1F)CSC(F)C(=O)N 62a_100009813875_100012349856 [0,0,0,0,0,1|3,0,0]=4 431 B16R1.4710 COc1cc(ccc1F)CSC(F)C(=O)N 62a_100012349856_100009813875 [0,0,0,0,0,1|3,0,0]=4 432 B16R1.4710 COc1cc(ccc1F)CSC(F)C(=O)[O-] 62a_100012349856_100020610796 [0,0,0,0,0,1|2,0,1]=4 433 B16R1.4710 COc1cc(ccc1F)CSC(F)C(=O)[O-] 62a_100020610796_100012349856 [0,0,0,0,0,1|2,0,1]=4 434 B16R1.4710 COc1cc(ccc1N)COC(C)C(=O)N 34a_100000087641_100000702099 [0,0,0,0,0,1|3,0,0]=4 435 B16R1.4710 COc1cc(ccc1N)COC(F)C(=O)N 34a_100000087641_100009813875 [0,0,0,0,0,1|3,0,0]=4 436 B16R1.4710 COc1cc(ccc1N)COC(F)C(=O)[O-] 34a_100000087641_100020610796 [0,0,0,0,0,1|2,0,1]=4 437 B16R1.4710 COc1cc(ccc1O)CNC(=O)C(=O)N 240690a_100000185554_100011215815 [0,0,0,0,0,1|2,0,1]=4 438 B16R1.4710 COc1cc(ccc1O)CNC(C)C(=O)N 34a_100000185554_100000702099 [0,0,0,0,0,1|2,0,0]=3 439 B16R1.4710 COc1cc(ccc1O)CNC(F)C(=O)N 34a_100000185554_100009813875 [0,0,0,0,0,1|2,0,0]=3 440 B16R1.4710 COc1cc(ccc1O)CNC(F)C(=O)[O-] 34a_100000185554_100020610796 [0,0,0,0,0,1|1,0,1]=3 441 B16R1.4710 COc1cc(ccc1O)NCC(=O)C(=O)C 34a_100000726020_100011261029 [0,0,0,0,0,1|2,0,1]=4 442 B16R1.4710 COc1cc(ccc1O)SCC(=O)C(=O)C 62a_100011261029_100000694246 [0,0,0,0,0,1|2,0,1]=4 443 B16R1.4710 COc1nc(ccc1Br)CN[C@@H](C)C(=O)O 269956a_100000743915_200010066506 [0,0,0,0,0,1|3,0,0]=4 444 B16R1.4710 C[C@H](NCc1ccc(c(c1)C=O)O)C(=O)O 269956a_100000743915_100000008128 [0,0,0,0,0,1|3,0,0]=4 445 B16R1.4761 COc1cc(ccc1Br)CN(C)CC(=O)O 269956a_100000746989_100010110085 [0,0,0,0,0,1|3,0,0]=4 446 B16R1.4761 COc1cc(ccc1Cl)CN(C)CC(=O)O 269956a_100000746989_200010214485 [0,0,0,0,0,1|3,0,0]=4 447 B16R1.4761 COc1cc(ccc1F)CN(C)CC(=O)O 269956a_100000746989_100012349856 [0,0,0,0,0,1|3,0,0]=4 448 B16R1.4761 COc1cc(ccc1O)CC(=O)CC(=O)N 1458a_100000032101_100000187820 [0,0,0,0,0,1|2,0,1]=4 449 B16R1.4761 COc1cc(ccc1O)CC(=O)CC(=O)[O-] 1458a_100000032101_100020667443 [0,0,0,0,0,1|1,0,2]=4 450 B16R1.4761 COc1cc(ccc1O)SC(C)OC(=O)C 62a_100009818208_100000694246 [0,0,0,0,0,1|3,0,0]=4 451 B13R1.511 CC(=O)CCc1ccc(c(c1)C)C 1458a_100011338283_200000210301 [2,0,0,0,0,0|2,0,0]=4 452 B13R1.511 CC(=O)CCc1ccc(c(c1)C)F 1458a_100011615030_200000210301 [2,0,0,0,0,0|2,0,0]=4 453 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [2,0,0,0,0,0|1,0,0]=3 454 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [2,0,0,0,0,0|1,0,0]=3 455 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100015343762 [2,0,0,0,0,0|2,0,0]=4 456 B13R1.511 Cc1cc(ccc1F)CCC(=O)[13CH3] 1458a_100011615030_200025704644 [2,0,0,0,0,0|2,0,0]=4 457 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 34a_100011218179_100000187820 [2,0,0,0,0,0|2,0,0]=4 458 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 7a_100011218179_100000187820 [2,0,0,0,0,0|2,0,0]=4 459 B13R1.511 Cc1cc(ccc1O)NCC(=O)[O-] 34a_100011218179_100020667443 [2,0,0,0,0,0|1,0,1]=4 460 B13R1.511 Cc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000186361 [2,0,0,0,0,0|2,0,0]=4 461 B13R1.511 Cc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000186361 [2,0,0,0,0,0|1,0,1]=4 462 B13R1.511 Cc1ccc(cc1C)CCC(=O)[13CH3] 1458a_100011338283_200025704644 [2,0,0,0,0,0|2,0,0]=4 463 B13R1.511 NC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000187820 [2,0,0,0,0,0|2,0,0]=4 464 B13R1.511 NC(=O)CSc1ccc(c(c1)O)O 62a_100000747473_100009813601 [2,0,0,0,0,0|2,0,0]=4 465 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100020667443 [2,0,0,0,0,0|1,0,1]=4 466 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)O 62a_100020667443_100009813601 [2,0,0,0,0,0|1,0,1]=4 467 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [2,0,0,0,0,0|1,0,0]=3 468 B13R1.575 C=CCNc1ccc(c(c1)OC)O 34a_100000726020_100015514636 [2,0,0,0,0,0|2,0,0]=4 469 B13R1.575 C=CCSc1ccc(c(c1)OC)O 62a_100000210623_100000694246 [2,0,0,0,0,0|2,0,0]=4 470 B13R1.575 CCCCc1ccc(c(c1)OC)O 271570a_100020621405_100000694246 [2,0,0,0,0,0|1,0,1]=4 471 B13R1.575 CCc1cc(ccc1O)SCC=O 62a_200015260668_100012338938 [2,0,0,0,0,0|2,0,0]=4 472 B13R1.575 CNCCc1ccc(c(c1)OC)O 2230a_106832991635_100010741665 [2,0,0,0,0,0|2,0,0]=4 473 B13R1.575 CNCCc1ccc(c(c1)OC)O 34a_100000756042_200000210301 [2,0,0,0,0,0|2,0,0]=4 474 B13R1.575 CNCCc1ccc(c(c1)OC)O 7a_106832991635_100010741665 [2,0,0,0,0,0|2,0,0]=4 475 B13R1.575 COc1cc(ccc1Br)NCC=O 2230a_100000765947_200015260668 [2,0,0,0,0,0|2,0,0]=4 476 B13R1.575 COc1cc(ccc1Br)NCC=O 34a_100000765947_200009817547 [2,0,0,0,0,0|2,0,0]=4 477 B13R1.575 COc1cc(ccc1Br)OCC=O 34a_100011827694_200009817547 [2,0,0,0,0,0|2,0,0]=4 478 B13R1.575 COc1cc(ccc1Br)OCC=O 7a_100011827694_200015260668 [2,0,0,0,0,0|2,0,0]=4 479 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_100012353699_200015260668 [2,0,0,0,0,0|2,0,0]=4 480 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_200015260668_100012353699 [2,0,0,0,0,0|2,0,0]=4 481 B13R1.575 COc1cc(ccc1C)NCC=O 2230a_100011279678_200015260668 [2,0,0,0,0,0|2,0,0]=4 482 B13R1.575 COc1cc(ccc1C)NCC=O 34a_100011279678_200009817547 [2,0,0,0,0,0|2,0,0]=4 483 B13R1.575 COc1cc(ccc1C)OCC=O 34a_100009865632_200009817547 [2,0,0,0,0,0|2,0,0]=4 484 B13R1.575 COc1cc(ccc1C)OCC=O 7a_100009865632_200015260668 [2,0,0,0,0,0|2,0,0]=4 485 B13R1.575 COc1cc(ccc1C)SCC=O 62a_100011830276_200015260668 [2,0,0,0,0,0|2,0,0]=4 486 B13R1.575 COc1cc(ccc1C)SCC=O 62a_200015260668_100011830276 [2,0,0,0,0,0|2,0,0]=4 487 B13R1.575 COc1cc(ccc1Cl)NCC=O 2230a_100000742311_200015260668 [2,0,0,0,0,0|2,0,0]=4 488 B13R1.575 COc1cc(ccc1Cl)NCC=O 34a_100000742311_200009817547 [2,0,0,0,0,0|2,0,0]=4 489 B13R1.575 COc1cc(ccc1Cl)OCC=O 34a_100012186310_200009817547 [2,0,0,0,0,0|2,0,0]=4 490 B13R1.575 COc1cc(ccc1Cl)OCC=O 7a_100012186310_200015260668 [2,0,0,0,0,0|2,0,0]=4 491 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_100011356853_200015260668 [2,0,0,0,0,0|2,0,0]=4 492 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_200015260668_100011356853 [2,0,0,0,0,0|2,0,0]=4 493 B13R1.575 COc1cc(ccc1F)NCC=O 2230a_100000701188_200015260668 [2,0,0,0,0,0|2,0,0]=4 494 B13R1.575 COc1cc(ccc1F)NCC=O 34a_100000701188_200009817547 [2,0,0,0,0,0|2,0,0]=4 495 B13R1.575 COc1cc(ccc1F)OCC=O 34a_100012001760_200009817547 [2,0,0,0,0,0|2,0,0]=4 496 B13R1.575 COc1cc(ccc1F)OCC=O 7a_100012001760_200015260668 [2,0,0,0,0,0|2,0,0]=4 497 B13R1.575 COc1cc(ccc1F)SCC=O 62a_100011934186_200015260668 [2,0,0,0,0,0|2,0,0]=4 498 B13R1.575 COc1cc(ccc1F)SCC=O 62a_200015260668_100011934186 [2,0,0,0,0,0|2,0,0]=4 499 B13R1.575 COc1cc(ccc1I)NCC=O 34a_100000746945_200009817547 [2,0,0,0,0,0|2,0,0]=4 500 B13R1.575 COc1cc(ccc1N)OCC=O 34a_100015326901_200009817547 [2,0,0,0,0,0|2,0,0]=4 501 B13R1.575 COc1cc(ccc1N)OCC=O 7a_100015326901_200015260668 [2,0,0,0,0,0|2,0,0]=4 502 B13R1.575 COc1cc(ccc1N)SCC=O 62a_100011279103_200015260668 [2,0,0,0,0,0|2,0,0]=4 503 B13R1.575 COc1cc(ccc1N)SCC=O 62a_200015260668_100015196925 [2,0,0,0,0,0|2,0,0]=4 504 B13R1.575 COc1cc(ccc1O)CCN[13CH3] 34a_100000756042_200025704644 [2,0,0,0,0,0|2,0,0]=4 505 B13R1.575 COc1cc(ccc1O)CCSC 62a_200000210301_100010741665 [2,0,0,0,0,0|2,0,0]=4 506 B13R1.575 COc1cc(ccc1O)CCS[13CH3] 62a_200025704644_100010741665 [2,0,0,0,0,0|2,0,0]=4 507 B13R1.575 COc1cc(ccc1O)NCC=O 34a_100000726020_200009817547 [2,0,0,0,0,0|1,0,0]=3 508 B13R1.575 COc1cc(ccc1O)NCCO 34a_100000726020_100000211926 [2,0,0,0,0,0|1,0,1]=4 509 B13R1.575 COc1cc(ccc1O)SCC=O 62a_200015260668_100000694246 [2,0,0,0,0,0|1,0,0]=3 510 B13R1.575 COc1cc(ccc1O)SCCO 62a_100000211926_100000694246 [2,0,0,0,0,0|1,0,1]=4 511 B13R1.575 COc1nc(ccc1O)SCC=O 62a_200015260668_100010893133 [2,0,0,0,0,0|2,0,0]=4 512 B13R1.643 CC(=O)CCc1cccc(c1)S[13CH3] 62a_100011279149_200025704644 [2,0,0,0,0,0|1,1,0]=4 513 B13R1.643 CC(=O)CCc1cccc(c1)S[13CH3] 62a_200025704644_100011279149 [2,0,0,0,0,0|1,1,0]=4 514 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000070787_100011713679 [2,0,0,0,0,0|1,0,0]=3 515 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000234931_200000210301 [2,0,0,0,0,0|1,0,0]=3 516 B13R1.643 COc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234931_200025704644 [2,0,0,0,0,0|1,0,0]=3 517 B13R1.643 COc1cccc(c1)CNC(=O)C 11a_100000174954_100015343762 [2,0,0,0,0,0|2,0,0]=4 518 B13R1.643 COc1cccc(c1)CNC(=O)C 1626a_100000174954_100015343762 [2,0,0,0,0,0|2,0,0]=4 519 B13R1.643 COc1cccc(c1)CNC(=O)C 240690a_100000174954_100015343762 [2,0,0,0,0,0|2,0,0]=4 520 B13R1.643 COc1cccc(c1)CNC(=O)C 527a_100000174954_100103153847 [2,0,0,0,0,0|2,0,0]=4 521 B13R1.643 COc1cccc(c1)NCC(=O)N 34a_100000210024_100000187820 [2,0,0,0,0,0|2,0,0]=4 522 B13R1.643 COc1cccc(c1)NCC(=O)[O-] 34a_100000210024_100020667443 [2,0,0,0,0,0|1,0,1]=4 523 B13R1.643 COc1cccc(c1)OCC(=O)C 1458a_100000182123_200000210301 [2,0,0,0,0,0|2,0,0]=4 524 B13R1.643 COc1cccc(c1)OCC(=O)N 34a_100000211255_100000187820 [2,0,0,0,0,0|2,0,0]=4 525 B13R1.643 COc1cccc(c1)OCC(=O)N 7a_100000211255_100000187820 [2,0,0,0,0,0|2,0,0]=4 526 B13R1.643 COc1cccc(c1)OCC(=O)[13CH3] 1458a_100000182123_200025704644 [2,0,0,0,0,0|2,0,0]=4 527 B13R1.643 COc1cccc(c1)OCC(=O)[O-] 34a_100000211255_100020667443 [2,0,0,0,0,0|1,0,1]=4 528 B13R1.643 COc1cccc(c1)SCC(=O)C 1458a_100000741315_200000210301 [2,0,0,0,0,0|2,0,0]=4 529 B13R1.643 COc1cccc(c1)SCC(=O)N 62a_100000747473_100000170001 [2,0,0,0,0,0|2,0,0]=4 530 B13R1.643 COc1cccc(c1)SCC(=O)[13CH3] 1458a_100000741315_200025704644 [2,0,0,0,0,0|2,0,0]=4 531 B13R1.643 COc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000170001 [2,0,0,0,0,0|1,0,1]=4 532 B13R1.643 CSc1cccc(c1)CCC(=O)C 62a_100011279149_200000210301 [2,0,0,0,0,0|1,1,0]=4 533 B13R1.643 CSc1cccc(c1)CCC(=O)C 62a_200000210301_100011279149 [2,0,0,0,0,0|1,1,0]=4 534 B13R1.643 CSc1cccc(c1)CCC(=O)N 62a_100000162029_200000210301 [2,0,0,0,0,0|1,1,0]=4 535 B13R1.643 CSc1cccc(c1)CCC(=O)N 62a_200000210301_100000162029 [2,0,0,0,0,0|1,1,0]=4 536 B13R1.643 [13CH3]Sc1cccc(c1)CCC(=O)N 62a_100000162029_200025704644 [2,0,0,0,0,0|1,1,0]=4 537 B13R1.643 [13CH3]Sc1cccc(c1)CCC(=O)N 62a_200025704644_100000162029 [2,0,0,0,0,0|1,1,0]=4 538 B13R1.81 CSc1cccc(c1)CC(N)CO 62a_114802770106_200000210301 [2,0,0,0,0,0|0,1,1]=4 539 B13R1.81 CSc1cccc(c1)CC(N)CO 62a_200000210301_114802770106 [2,0,0,0,0,0|0,1,1]=4 540 B13R1.81 [13CH3]Sc1cccc(c1)CC(N)CO 62a_114802770106_200025704644 [2,0,0,0,0,0|0,1,1]=4 541 B13R1.81 [13CH3]Sc1cccc(c1)CC(N)CO 62a_200025704644_114802770106 [2,0,0,0,0,0|0,1,1]=4 542 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [2,0,0,0,0,0|2,0,0]=4 543 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [2,0,0,0,0,0|2,0,0]=4 544 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [2,0,0,0,0,0|1,0,1]=4 545 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [2,0,0,0,0,0|1,0,1]=4 546 B15R1.392 COc1cc(cc(c1O)O)SCC(=O)N 62a_100000747473_200159242197 [1,1,0,0,0,0|2,0,0]=4 547 B15R1.392 COc1cc(cc(c1O)O)SCC(=O)[O-] 62a_100020667443_200159242197 [1,1,0,0,0,0|1,0,1]=4 548 B15R1.531 CCOc1cc(ccc1O)CNC(=O)C 11a_200000751567_100015343762 [1,1,0,0,0,0|2,0,0]=4 549 B15R1.531 CCOc1cc(ccc1O)CNC(=O)C 240690a_200000751567_100015343762 [1,1,0,0,0,0|2,0,0]=4 550 B15R1.531 CCOc1cc(ccc1O)CNC(=O)C 527a_200000751567_100103153847 [1,1,0,0,0,0|2,0,0]=4 551 B15R1.1803 COc1cc(c(cc1O)F)SCC(=O)N 62a_100000747473_100010189133 [1,1,0,0,0,0|2,0,0]=4 552 B15R1.1803 COc1cc(c(cc1O)F)SCC(=O)[O-] 62a_100020667443_100010189133 [1,1,0,0,0,0|1,0,1]=4 553 B15R1.4037 COc1cc(ccc1O)C(=O)CC(=O)C 1458a_100000070787_100010206313 [1,1,0,0,0,0|1,0,1]=4 554 B15R1.4037 COc1cc(ccc1O)C(=O)CC(=O)N 1458a_100000687070_100000187820 [1,1,0,0,0,0|1,0,1]=4 555 B15R1.4037 COc1cc(ccc1O)C(=O)CC(=O)[O-] 1458a_100000687070_100020667443 [1,1,0,0,0,0|0,0,2]=4 556 B15R1.4039 C#CC(=O)CCc1ccc(c(c1)OC)O 1458a_100000211873_100010741665 [1,1,0,0,0,0|1,0,0]=3 557 B15R1.4039 C=CC(=O)CCc1ccc(c(c1)OC)O 1458a_100000185746_100010741665 [1,1,0,0,0,0|1,0,0]=3 558 B15R1.4039 C=CC(=O)NCc1ccc(c(c1)OC)O 240690a_100000185554_200121576911 [1,1,0,0,0,0|2,0,0]=4 559 B15R1.4039 CCC(=O)CCc1ccc(c(c1)OC)C 1458a_200000066385_100000210202 [1,1,0,0,0,0|2,0,0]=4 560 B15R1.4039 CCC(=O)CCc1ccc(c(c1)OC)F 1458a_100009849056_100000210202 [1,1,0,0,0,0|2,0,0]=4 561 B15R1.4039 CCC(=O)CCc1ccc(c(c1)OC)O 1458a_100000210414_100010741665 [1,1,0,0,0,0|1,0,0]=3 562 B15R1.4039 CCC(=O)CCc1ccc(c(c1)OC)O 1458a_100011216321_100000210202 [1,1,0,0,0,0|1,0,0]=3 563 B15R1.4039 CCC(=O)CSc1ccc(c(c1)OC)O 62a_100000747405_100000694246 [1,1,0,0,0,0|2,0,0]=4 564 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)O 11a_100000185554_100000210414 [1,1,0,0,0,0|2,0,0]=4 565 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)O 240690a_100000185554_100000210414 [1,1,0,0,0,0|2,0,0]=4 566 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)O 527a_100000185554_100000210414 [1,1,0,0,0,0|2,0,0]=4 567 B15R1.4039 CCc1cc(ccc1O)SCC(=O)OC 62a_100000747449_100012338938 [1,1,0,0,0,0|2,0,0]=4 568 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)C 11a_106832991635_200000066385 [1,1,0,0,0,0|2,0,0]=4 569 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)C 1626a_100102657272_200000066385 [1,1,0,0,0,0|2,0,0]=4 570 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)C 240690a_100102657272_200000066385 [1,1,0,0,0,0|2,0,0]=4 571 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)C 527a_100102657272_200000066385 [1,1,0,0,0,0|2,0,0]=4 572 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)F 11a_106832991635_100009849056 [1,1,0,0,0,0|2,0,0]=4 573 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)F 1626a_100102657272_100009849056 [1,1,0,0,0,0|2,0,0]=4 574 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)F 240690a_100102657272_100009849056 [1,1,0,0,0,0|2,0,0]=4 575 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)F 527a_100102657272_100009849056 [1,1,0,0,0,0|2,0,0]=4 576 B15R1.4039 CNC(=O)CCc1ccc(c(c1)OC)O 240690a_100102657272_100011216321 [1,1,0,0,0,0|1,0,0]=3 577 B15R1.4039 CNC(=O)CNc1ccc(c(c1)OC)O 34a_100000726020_100000183359 [1,1,0,0,0,0|2,0,0]=4 578 B15R1.4039 CNC(=O)CSc1ccc(c(c1)OC)O 62a_100000183359_100000694246 [1,1,0,0,0,0|2,0,0]=4 579 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 2708a_100000185554_106832991635 [1,1,0,0,0,0|2,0,0]=4 580 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 2708a_100102657272_100000185554 [1,1,0,0,0,0|2,0,0]=4 581 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 273464a_100000185554_100102657272 [1,1,0,0,0,0|2,0,0]=4 582 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 273464a_100102657272_100000185554 [1,1,0,0,0,0|2,0,0]=4 583 B15R1.4039 CNC(=O)NCc1ccc(c(c1)OC)O 512a_106832991638_100000185554 [1,1,0,0,0,0|2,0,0]=4 584 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)Br 2230a_100000765947_100000747449 [1,1,0,0,0,0|2,0,0]=4 585 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)Br 34a_100000765947_100000747449 [1,1,0,0,0,0|2,0,0]=4 586 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)C 2230a_100011279678_100000747449 [1,1,0,0,0,0|2,0,0]=4 587 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)C 34a_100011279678_100000747449 [1,1,0,0,0,0|2,0,0]=4 588 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000747449 [1,1,0,0,0,0|2,0,0]=4 589 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)Cl 34a_100000742311_100000747449 [1,1,0,0,0,0|2,0,0]=4 590 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)F 2230a_100000701188_100000747449 [1,1,0,0,0,0|2,0,0]=4 591 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)F 34a_100000701188_100000747449 [1,1,0,0,0,0|2,0,0]=4 592 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)I 34a_100000746945_100000747449 [1,1,0,0,0,0|2,0,0]=4 593 B15R1.4039 COC(=O)CNc1ccc(c(c1)OC)O 34a_100000726020_100000747449 [1,1,0,0,0,0|1,0,0]=3 594 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)Br 34a_100011827694_100000747449 [1,1,0,0,0,0|2,0,0]=4 595 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)Br 7a_100011827694_100000747449 [1,1,0,0,0,0|2,0,0]=4 596 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)C 34a_100009865632_100000747449 [1,1,0,0,0,0|2,0,0]=4 597 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)C 7a_100009865632_100000747449 [1,1,0,0,0,0|2,0,0]=4 598 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)Cl 34a_100012186310_100000747449 [1,1,0,0,0,0|2,0,0]=4 599 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)Cl 7a_100012186310_100000747449 [1,1,0,0,0,0|2,0,0]=4 600 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)F 34a_100012001760_100000747449 [1,1,0,0,0,0|2,0,0]=4 601 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)F 7a_100012001760_100000747449 [1,1,0,0,0,0|2,0,0]=4 602 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)N 34a_100015326901_100000747449 [1,1,0,0,0,0|2,0,0]=4 603 B15R1.4039 COC(=O)COc1ccc(c(c1)OC)N 7a_100015326901_100000747449 [1,1,0,0,0,0|2,0,0]=4 604 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)Br 62a_100000747449_100012353699 [1,1,0,0,0,0|2,0,0]=4 605 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)Br 62a_100012353699_100000747449 [1,1,0,0,0,0|2,0,0]=4 606 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)C 62a_100000747449_100011830276 [1,1,0,0,0,0|2,0,0]=4 607 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)C 62a_100011830276_100000747449 [1,1,0,0,0,0|2,0,0]=4 608 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)Cl 62a_100000747449_100011356853 [1,1,0,0,0,0|2,0,0]=4 609 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)Cl 62a_100011356853_100000747449 [1,1,0,0,0,0|2,0,0]=4 610 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)F 62a_100000747449_100011934186 [1,1,0,0,0,0|2,0,0]=4 611 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)F 62a_100011934186_100000747449 [1,1,0,0,0,0|2,0,0]=4 612 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)N 62a_100000747449_100015196925 [1,1,0,0,0,0|2,0,0]=4 613 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)N 62a_100011279103_100000747449 [1,1,0,0,0,0|2,0,0]=4 614 B15R1.4039 COC(=O)CSc1ccc(c(c1)OC)O 62a_100000747449_100000694246 [1,1,0,0,0,0|1,0,0]=3 615 B15R1.4039 COC(=O)CSc1ccc(c(n1)OC)O 62a_100000747449_100010893133 [1,1,0,0,0,0|2,0,0]=4 616 B15R1.4039 COc1cc(ccc1C)CCC(=O)CF 1458a_200000066385_100015361967 [1,1,0,0,0,0|2,0,0]=4 617 B15R1.4039 COc1cc(ccc1Cl)CNC(=O)CO 240690a_100015204853_100000210174 [1,1,0,0,0,0|2,0,0]=4 618 B15R1.4039 COc1cc(ccc1Cl)CNC(=O)CO 527a_100015204853_100000210174 [1,1,0,0,0,0|2,0,0]=4 619 B15R1.4039 COc1cc(ccc1F)CCC(=O)CF 1458a_100009849056_100015361967 [1,1,0,0,0,0|2,0,0]=4 620 B15R1.4039 COc1cc(ccc1F)CNC(=O)CO 240690a_100020626639_100000210174 [1,1,0,0,0,0|2,0,0]=4 621 B15R1.4039 COc1cc(ccc1F)CNC(=O)CO 527a_100020626639_100000210174 [1,1,0,0,0,0|2,0,0]=4 622 B15R1.4039 COc1cc(ccc1O)CCC(=O)CF 1458a_100011216321_100015361967 [1,1,0,0,0,0|1,0,0]=3 623 B15R1.4039 COc1cc(ccc1O)CCC(=O)CO 1458a_100000210174_100010741665 [1,1,0,0,0,0|0,0,0]=2 624 B15R1.4039 COc1cc(ccc1O)CNC(=O)CO 240690a_100000185554_100000210174 [1,1,0,0,0,0|1,0,0]=3 625 B15R1.4039 COc1cc(ccc1O)CNC(=O)CO 527a_100000185554_100000210174 [1,1,0,0,0,0|1,0,0]=3 626 B15R1.12854 COc1cc(ccc1CO)NCC(=O)N 34a_100012183141_100000187820 [1,1,0,0,0,0|2,0,0]=4 627 B15R1.12854 COc1cc(ccc1CO)NCC(=O)[O-] 34a_100012183141_100020667443 [1,1,0,0,0,0|1,0,1]=4 628 B15R1.12854 COc1cc(ccc1CO)OCC(=O)C 1458a_200000048963_200000210301 [1,1,0,0,0,0|2,0,0]=4 629 B15R1.12854 COc1cc(ccc1CO)OCC(=O)N 34a_200000116926_100000187820 [1,1,0,0,0,0|2,0,0]=4 630 B15R1.12854 COc1cc(ccc1CO)OCC(=O)[13CH3] 1458a_200000048963_200025704644 [1,1,0,0,0,0|2,0,0]=4 631 B15R1.12854 COc1cc(ccc1CO)OCC(=O)[O-] 34a_200000116926_100020667443 [1,1,0,0,0,0|1,0,1]=4 632 B15R1.12854 COc1cc(ccc1CO)SCC(=O)N 62a_100000747473_100011277633 [1,1,0,0,0,0|2,0,0]=4 633 B15R1.12854 COc1cc(ccc1CO)SCC(=O)N 62a_100011277633_100000747473 [1,1,0,0,0,0|2,0,0]=4 634 B15R1.12854 COc1cc(ccc1CO)SCC(=O)[O-] 62a_100011277633_100020667443 [1,1,0,0,0,0|1,0,1]=4 635 B15R1.12854 COc1cc(ccc1CO)SCC(=O)[O-] 62a_100020667443_100011277633 [1,1,0,0,0,0|1,0,1]=4 636 B15R1.12854 COc1cc(ccc1O[13CH3])CCC(=O)C 34a_100011290831_200025704644 [1,1,0,0,0,0|1,0,0]=3 637 B15R1.12854 COc1cc(ccc1O[13CH3])CCC(=O)C 7a_100011290831_200025704644 [1,1,0,0,0,0|1,0,0]=3 638 B15R1.12854 COc1cc(ccc1O[13CH3])CC[N+](=O)[O-] 34a_100000080128_200025704644 [1,1,0,0,0,0|1,0,1]=4 639 B15R1.12854 COc1cc(ccc1O[13CH3])CC[N+](=O)[O-] 7a_100000080128_200025704644 [1,1,0,0,0,0|1,0,1]=4 640 B15R1.12854 COc1cc(ccc1O[13CH3])CNC(=O)C 34a_100000046322_200025704644 [1,1,0,0,0,0|2,0,0]=4 641 B15R1.12854 COc1cc(ccc1O[13CH3])CNC(=O)C 7a_100000046322_200025704644 [1,1,0,0,0,0|2,0,0]=4 642 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 1458a_100000070787_100011740610 [1,1,0,0,0,0|1,0,0]=3 643 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 1458a_100000187252_200000210301 [1,1,0,0,0,0|1,0,0]=3 644 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 34a_100011290831_200000210301 [1,1,0,0,0,0|1,0,0]=3 645 B15R1.12854 COc1ccc(cc1OC)CCC(=O)C 7a_100011290831_200000210301 [1,1,0,0,0,0|1,0,0]=3 646 B15R1.12854 COc1ccc(cc1OC)CCC(=O)[13CH3] 1458a_100000187252_200025704644 [1,1,0,0,0,0|1,0,0]=3 647 B15R1.12854 COc1ccc(cc1OC)CC[N+](=O)[O-] 34a_100000080128_200000210301 [1,1,0,0,0,0|1,0,1]=4 648 B15R1.12854 COc1ccc(cc1OC)CC[N+](=O)[O-] 34a_200000077489_200000210301 [1,1,0,0,0,0|1,0,1]=4 649 B15R1.12854 COc1ccc(cc1OC)CC[N+](=O)[O-] 7a_100000080128_200000210301 [1,1,0,0,0,0|1,0,1]=4 650 B15R1.12854 COc1ccc(cc1OC)CC[N+](=O)[O-] 7a_200000077489_200000210301 [1,1,0,0,0,0|1,0,1]=4 651 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 11a_100000185555_100015343762 [1,1,0,0,0,0|2,0,0]=4 652 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 1626a_100000185555_100015343762 [1,1,0,0,0,0|2,0,0]=4 653 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 240690a_100000185555_100015343762 [1,1,0,0,0,0|2,0,0]=4 654 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 34a_100000046322_200000210301 [1,1,0,0,0,0|2,0,0]=4 655 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 527a_100000185555_100103153847 [1,1,0,0,0,0|2,0,0]=4 656 B15R1.12854 COc1ccc(cc1OC)CNC(=O)C 7a_100000046322_200000210301 [1,1,0,0,0,0|2,0,0]=4 657 B15R1.12854 COc1ccc(cc1OC)NCC(=O)N 34a_100000187404_100000187820 [1,1,0,0,0,0|2,0,0]=4 658 B15R1.12854 COc1ccc(cc1OC)NCC(=O)[O-] 34a_100000187404_100020667443 [1,1,0,0,0,0|1,0,1]=4 659 B15R1.12854 COc1ccc(cc1OC)OCC(=O)N 34a_100000039706_100000187820 [1,1,0,0,0,0|2,0,0]=4 660 B15R1.12854 COc1ccc(cc1OC)OCC(=O)[O-] 34a_100000039706_100020667443 [1,1,0,0,0,0|1,0,1]=4 661 B15R1.12854 COc1ccc(cc1OC)SCC(=O)N 62a_100000747473_100011356967 [1,1,0,0,0,0|2,0,0]=4 662 B15R1.12854 COc1ccc(cc1OC)SCC(=O)[O-] 62a_100020667443_100011356967 [1,1,0,0,0,0|1,0,1]=4 663 B15R1.12854 COc1ccc(cc1O[13CH3])CC[N+](=O)[O-] 34a_200000077489_200025704644 [1,1,0,0,0,0|1,0,1]=4 664 B15R1.12854 COc1ccc(cc1O[13CH3])CC[N+](=O)[O-] 7a_200000077489_200025704644 [1,1,0,0,0,0|1,0,1]=4 665 B15R1.63 C=Cc1cccc(c1)CC(N)C(=O)OC 271570a_100011290941_100102946621 [1,1,0,0,0,0|1,0,1]=4 666 B15R1.63 CCC(=O)C(O)Cc1cccc(c1)OC 1458a_100000693103_100000210202 [1,1,0,0,0,0|2,0,0]=4 667 B15R1.63 CNC(=O)C(O)Cc1cccc(c1)OC 240690a_100102657272_100000693103 [1,1,0,0,0,0|2,0,0]=4 668 B15R1.63 COC(=O)C(C)Nc1cccc(c1)OC 34a_100000210024_100000211248 [1,1,0,0,0,0|2,0,0]=4 669 B15R1.63 COC(=O)C(C)Oc1cccc(c1)OC 34a_100000211255_100000211248 [1,1,0,0,0,0|2,0,0]=4 670 B15R1.63 COC(=O)C(C)Oc1cccc(c1)OC 7a_100000211255_100000211248 [1,1,0,0,0,0|2,0,0]=4 671 B15R1.63 COC(=O)C(C)Sc1cccc(c1)OC 62a_100000211248_100000170001 [1,1,0,0,0,0|2,0,0]=4 672 B15R1.63 COC(=O)C(N)Cc1cccc(c1)SC 62a_100102946621_200000210301 [1,1,0,0,0,0|0,1,0]=3 673 B15R1.63 COC(=O)C(N)Cc1cccc(c1)SC 62a_200000210301_100102946621 [1,1,0,0,0,0|0,1,0]=3 674 B15R1.63 COC(=O)C(N)Cc1cccc(c1)S[13CH3] 62a_100102946621_200025704644 [1,1,0,0,0,0|0,1,0]=3 675 B15R1.63 COC(=O)C(N)Cc1cccc(c1)S[13CH3] 62a_200025704644_100102946621 [1,1,0,0,0,0|0,1,0]=3 676 B15R1.63 COC(=O)C(O)Cc1cccc(c1)OC 34a_100020587144_200000210301 [1,1,0,0,0,0|1,0,0]=3 677 B15R1.63 COC(=O)C(O)Cc1cccc(c1)OC 7a_100020587144_200000210301 [1,1,0,0,0,0|1,0,0]=3 678 B15R1.63 COC(=O)C(O)Cc1cccc(c1)O[13CH3] 34a_100020587144_200025704644 [1,1,0,0,0,0|1,0,0]=3 679 B15R1.63 COC(=O)C(O)Cc1cccc(c1)O[13CH3] 7a_100020587144_200025704644 [1,1,0,0,0,0|1,0,0]=3 680 B15R1.63 COC(=O)[C@@H](N)Cc1cccc(c1)OC 34a_100016991376_200000210301 [1,1,0,0,0,0|0,0,0]=2 681 B15R1.63 COC(=O)[C@@H](N)Cc1cccc(c1)O[13CH3] 34a_100016991376_200025704644 [1,1,0,0,0,0|0,0,0]=2 682 B15R1.63 COc1cccc(c1)CC(O)C(=O)CF 1458a_100000693103_100015361967 [1,1,0,0,0,0|2,0,0]=4 683 B15R1.63 COc1cccc(c1)CN(C)C(=O)CO 240690a_100000184262_100000210174 [1,1,0,0,0,0|2,0,0]=4 684 B15R1.63 COc1cccc(c1)CN(C)C(=O)CO 527a_100000184262_100000210174 [1,1,0,0,0,0|2,0,0]=4 685 B15R1.676 CNC(Cc1ccc(c(c1)Cl)F)C(=O)O 269956a_103549770568_200000210301 [1,1,0,0,0,0|2,0,0]=4 686 B15R1.676 CN[C@@H](Cc1ccc(c(c1)Cl)Cl)C(=O)O 269956a_100011737835_200000210301 [1,1,0,0,0,0|2,0,0]=4 687 B15R1.676 CN[C@@H](Cc1ccc(c(c1)F)F)C(=O)O 269956a_100011737850_200000210301 [1,1,0,0,0,0|2,0,0]=4 688 B15R1.676 [13CH3]NC(Cc1ccc(c(c1)Cl)F)C(=O)O 269956a_103549770568_200025704644 [1,1,0,0,0,0|2,0,0]=4 689 B15R1.676 [13CH3]N[C@@H](Cc1ccc(c(c1)Cl)Cl)C(=O)O 269956a_100011737835_200025704644 [1,1,0,0,0,0|2,0,0]=4 690 B15R1.676 [13CH3]N[C@@H](Cc1ccc(c(c1)F)F)C(=O)O 269956a_100011737850_200025704644 [1,1,0,0,0,0|2,0,0]=4 691 B15R1.5521 CCC(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_100000210202 [1,1,0,0,0,0|2,0,0]=4 692 B15R1.5521 CN(Cc1ccc(c(c1)O)O)C(=O)CO 240690a_100020587154_100000210174 [1,1,0,0,0,0|2,0,0]=4 693 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)C)O 34a_100011218179_100000211248 [1,1,0,0,0,0|2,0,0]=4 694 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)C)O 7a_100011218179_100000211248 [1,1,0,0,0,0|2,0,0]=4 695 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000211248 [1,1,0,0,0,0|2,0,0]=4 696 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)C)O 62a_100000211248_100000186361 [1,1,0,0,0,0|2,0,0]=4 697 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)O)O 62a_100000211248_100009813601 [1,1,0,0,0,0|2,0,0]=4 698 B15R1.5521 O=C(CF)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_100015361967 [1,1,0,0,0,0|2,0,0]=4 699 B15R1.4040 COc1cc(ccc1O)NC(C=O)C=O 34a_100000726020_100000736813 [1,1,0,0,0,0|2,0,0]=4 700 B15R1.4040 COc1cc(ccc1O)SC(C=O)C=O 62a_100000736813_100000694246 [1,1,0,0,0,0|2,0,0]=4 701 B17R1.5339 C=C(CNc1ccc(c(c1)OC)O)C(=O)OC 34a_100000726020_100009813391 [0,1,0,0,0,1|1,0,1]=4 702 B17R1.5339 C=C(CSc1ccc(c(c1)OC)O)C(=O)OC 62a_100009813391_100000694246 [0,1,0,0,0,1|1,0,1]=4 703 B17R1.5339 CCc1cc(ccc1O)SCC(C)C(=O)OC 62a_100000698445_100012338938 [0,1,0,0,0,1|2,0,0]=4 704 B17R1.5339 CNC(=O)C(C)NCc1ccc(c(c1)OC)O 34a_100000185554_100000731044 [0,1,0,0,0,1|2,0,0]=4 705 B17R1.5339 CNC(=O)C(F)NCc1ccc(c(c1)OC)O 34a_100000185554_100009813575 [0,1,0,0,0,1|2,0,0]=4 706 B17R1.5339 COC(=O)C(=O)CNc1ccc(c(c1)OC)O 34a_100000726020_100011610305 [0,1,0,0,0,1|1,0,1]=4 707 B17R1.5339 COC(=O)C(=O)CSc1ccc(c(c1)OC)O 62a_100011610305_100000694246 [0,1,0,0,0,1|1,0,1]=4 708 B17R1.5339 COC(=O)C(=O)NCc1ccc(c(c1)OC)O 11a_100000185554_100000024059 [0,1,0,0,0,1|1,0,1]=4 709 B17R1.5339 COC(=O)C(=O)NCc1ccc(c(c1)OC)O 240690a_100000185554_100000024059 [0,1,0,0,0,1|1,0,1]=4 710 B17R1.5339 COC(=O)C(=O)NCc1ccc(c(c1)OC)O 527a_100000185554_100000024059 [0,1,0,0,0,1|1,0,1]=4 711 B17R1.5339 COC(=O)C(C)CNc1ccc(c(c1)OC)Br 34a_100000765947_100000698445 [0,1,0,0,0,1|2,0,0]=4 712 B17R1.5339 COC(=O)C(C)CNc1ccc(c(c1)OC)C 34a_100011279678_100000698445 [0,1,0,0,0,1|2,0,0]=4 713 B17R1.5339 COC(=O)C(C)CNc1ccc(c(c1)OC)Cl 34a_100000742311_100000698445 [0,1,0,0,0,1|2,0,0]=4 714 B17R1.5339 COC(=O)C(C)CNc1ccc(c(c1)OC)F 34a_100000701188_100000698445 [0,1,0,0,0,1|2,0,0]=4 715 B17R1.5339 COC(=O)C(C)CNc1ccc(c(c1)OC)I 34a_100000746945_100000698445 [0,1,0,0,0,1|2,0,0]=4 716 B17R1.5339 COC(=O)C(C)CNc1ccc(c(c1)OC)O 34a_100000726020_100000698445 [0,1,0,0,0,1|1,0,0]=3 717 B17R1.5339 COC(=O)C(C)COc1ccc(c(c1)OC)Br 34a_100011827694_100000698445 [0,1,0,0,0,1|2,0,0]=4 718 B17R1.5339 COC(=O)C(C)COc1ccc(c(c1)OC)C 34a_100009865632_100000698445 [0,1,0,0,0,1|2,0,0]=4 719 B17R1.5339 COC(=O)C(C)COc1ccc(c(c1)OC)Cl 34a_100012186310_100000698445 [0,1,0,0,0,1|2,0,0]=4 720 B17R1.5339 COC(=O)C(C)COc1ccc(c(c1)OC)F 34a_100012001760_100000698445 [0,1,0,0,0,1|2,0,0]=4 721 B17R1.5339 COC(=O)C(C)COc1ccc(c(c1)OC)N 34a_100015326901_100000698445 [0,1,0,0,0,1|2,0,0]=4 722 B17R1.5339 COC(=O)C(C)CSc1ccc(c(c1)OC)Br 62a_100000698445_100012353699 [0,1,0,0,0,1|2,0,0]=4 723 B17R1.5339 COC(=O)C(C)CSc1ccc(c(c1)OC)Br 62a_100012353699_100000698445 [0,1,0,0,0,1|2,0,0]=4 724 B17R1.5339 COC(=O)C(C)CSc1ccc(c(c1)OC)C 62a_100000698445_100011830276 [0,1,0,0,0,1|2,0,0]=4 725 B17R1.5339 COC(=O)C(C)CSc1ccc(c(c1)OC)C 62a_100011830276_100000698445 [0,1,0,0,0,1|2,0,0]=4 726 B17R1.5339 COC(=O)C(C)CSc1ccc(c(c1)OC)Cl 62a_100000698445_100011356853 [0,1,0,0,0,1|2,0,0]=4 727 B17R1.5339 COC(=O)C(C)CSc1ccc(c(c1)OC)Cl 62a_100011356853_100000698445 [0,1,0,0,0,1|2,0,0]=4 728 B17R1.5339 COC(=O)C(C)CSc1ccc(c(c1)OC)F 62a_100000698445_100011934186 [0,1,0,0,0,1|2,0,0]=4 729 B17R1.5339 COC(=O)C(C)CSc1ccc(c(c1)OC)F 62a_100011934186_100000698445 [0,1,0,0,0,1|2,0,0]=4 730 B17R1.5339 COC(=O)C(C)CSc1ccc(c(c1)OC)N 62a_100000698445_100015196925 [0,1,0,0,0,1|2,0,0]=4 731 B17R1.5339 COC(=O)C(C)CSc1ccc(c(c1)OC)N 62a_100011279103_100000698445 [0,1,0,0,0,1|2,0,0]=4 732 B17R1.5339 COC(=O)C(C)CSc1ccc(c(c1)OC)O 62a_100000698445_100000694246 [0,1,0,0,0,1|1,0,0]=3 733 B17R1.5339 COC(=O)C(C)CSc1ccc(c(n1)OC)O 62a_100000698445_100010893133 [0,1,0,0,0,1|2,0,0]=4 734 B17R1.5339 COC(=O)C(C)NCc1ccc(c(c1)OC)Cl 2230a_100015204853_100000211248 [0,1,0,0,0,1|2,0,0]=4 735 B17R1.5339 COC(=O)C(C)NCc1ccc(c(c1)OC)Cl 34a_100015204853_100000211248 [0,1,0,0,0,1|2,0,0]=4 736 B17R1.5339 COC(=O)C(C)NCc1ccc(c(c1)OC)F 2230a_100020626639_100000211248 [0,1,0,0,0,1|2,0,0]=4 737 B17R1.5339 COC(=O)C(C)NCc1ccc(c(c1)OC)F 34a_100020626639_100000211248 [0,1,0,0,0,1|2,0,0]=4 738 B17R1.5339 COC(=O)C(C)NCc1ccc(c(c1)OC)O 34a_100000185554_100000211248 [0,1,0,0,0,1|1,0,0]=3 739 B17R1.5339 COC(=O)C(C)OCc1ccc(c(c1)OC)Br 34a_100010234685_100000211248 [0,1,0,0,0,1|2,0,0]=4 740 B17R1.5339 COC(=O)C(C)OCc1ccc(c(c1)OC)Br 34a_100011215400_100010110085 [0,1,0,0,0,1|2,0,0]=4 741 B17R1.5339 COC(=O)C(C)OCc1ccc(c(c1)OC)Br 7a_100010234685_100000211248 [0,1,0,0,0,1|2,0,0]=4 742 B17R1.5339 COC(=O)C(C)OCc1ccc(c(c1)OC)C 34a_100000752651_100000211248 [0,1,0,0,0,1|2,0,0]=4 743 B17R1.5339 COC(=O)C(C)OCc1ccc(c(c1)OC)C 7a_100000752651_100000211248 [0,1,0,0,0,1|2,0,0]=4 744 B17R1.5339 COC(=O)C(C)OCc1ccc(c(c1)OC)Cl 34a_100011215400_200010214485 [0,1,0,0,0,1|2,0,0]=4 745 B17R1.5339 COC(=O)C(C)OCc1ccc(c(c1)OC)Cl 34a_100012179228_100000211248 [0,1,0,0,0,1|2,0,0]=4 746 B17R1.5339 COC(=O)C(C)OCc1ccc(c(c1)OC)F 34a_100000692429_100000211248 [0,1,0,0,0,1|2,0,0]=4 747 B17R1.5339 COC(=O)C(C)OCc1ccc(c(c1)OC)F 34a_100011215400_100012349856 [0,1,0,0,0,1|2,0,0]=4 748 B17R1.5339 COC(=O)C(C)OCc1ccc(c(c1)OC)F 7a_100000692429_100000211248 [0,1,0,0,0,1|2,0,0]=4 749 B17R1.5339 COC(=O)C(C)OCc1ccc(c(c1)OC)N 34a_100000087641_100000211248 [0,1,0,0,0,1|2,0,0]=4 750 B17R1.5339 COC(=O)C(C)SCc1ccc(c(c1)OC)Br 62a_100000211248_100010110085 [0,1,0,0,0,1|2,0,0]=4 751 B17R1.5339 COC(=O)C(C)SCc1ccc(c(c1)OC)Br 62a_100010110085_100000211248 [0,1,0,0,0,1|2,0,0]=4 752 B17R1.5339 COC(=O)C(C)SCc1ccc(c(c1)OC)Cl 62a_100000211248_200010214485 [0,1,0,0,0,1|2,0,0]=4 753 B17R1.5339 COC(=O)C(C)SCc1ccc(c(c1)OC)Cl 62a_200010214485_100000211248 [0,1,0,0,0,1|2,0,0]=4 754 B17R1.5339 COC(=O)C(C)SCc1ccc(c(c1)OC)F 62a_100000211248_100012349856 [0,1,0,0,0,1|2,0,0]=4 755 B17R1.5339 COC(=O)C(C)SCc1ccc(c(c1)OC)F 62a_100012349856_100000211248 [0,1,0,0,0,1|2,0,0]=4 756 B17R1.5340 COc1cc(ccc1Br)CN(C)C(C)C(=O)O 269956a_100000749554_100010110085 [0,1,0,0,0,1|2,0,0]=4 757 B17R1.5340 COc1cc(ccc1Cl)CN(C)C(C)C(=O)O 269956a_100000749554_200010214485 [0,1,0,0,0,1|2,0,0]=4 758 B17R1.5340 COc1cc(ccc1F)CN(C)C(C)C(=O)O 269956a_100000749554_100012349856 [0,1,0,0,0,1|2,0,0]=4 759 B17R1.5340 COc1cc(ccc1O)CC(=O)C(C)C(=O)C 1458a_100000032101_100000179758 [0,1,0,0,0,1|2,0,0]=4 760 B17R1.5340 COc1cc(ccc1O)CC(=O)C(C)C(=O)N 1458a_100000032101_100000702099 [0,1,0,0,0,1|2,0,0]=4 761 B17R1.5340 COc1cc(ccc1O)CC(=O)C(F)C(=O)N 1458a_100000032101_100009813875 [0,1,0,0,0,1|2,0,0]=4 762 B17R1.5340 COc1cc(ccc1O)CC(=O)C(F)C(=O)[O-] 1458a_100000032101_100020610796 [0,1,0,0,0,1|1,0,1]=4 763 B17R1.5371 C=C[C@H](NCc1ccc(c(c1)OC)Br)C(=O)O 269956a_100016992060_100010110085 [0,1,0,0,0,1|2,0,0]=4 764 B17R1.5371 C=C[C@H](NCc1ccc(c(c1)OC)Cl)C(=O)O 269956a_100016992060_200010214485 [0,1,0,0,0,1|2,0,0]=4 765 B17R1.5371 C=C[C@H](NCc1ccc(c(c1)OC)F)C(=O)O 269956a_100016992060_100012349856 [0,1,0,0,0,1|2,0,0]=4 766 B17R1.5371 CCC(NCc1ccc(c(c1)OC)O)C(=O)N 34a_100000185554_100000750255 [0,1,0,0,0,1|2,0,0]=4 767 B17R1.5371 CC[C@@H](NCc1ccc(c(c1)OC)Br)C(=O)O 269956a_100000747097_100010110085 [0,1,0,0,0,1|2,0,0]=4 768 B17R1.5371 CC[C@@H](NCc1ccc(c(c1)OC)Cl)C(=O)O 269956a_100000747097_200010214485 [0,1,0,0,0,1|2,0,0]=4 769 B17R1.5371 CC[C@@H](NCc1ccc(c(c1)OC)F)C(=O)O 269956a_100000747097_100012349856 [0,1,0,0,0,1|2,0,0]=4 770 B17R1.5371 COc1cc(ccc1Br)CNC(CO)C(=O)O 269956a_100000187304_100010110085 [0,1,0,0,0,1|2,0,0]=4 771 B17R1.5371 COc1cc(ccc1Cl)CNC(CO)C(=O)O 269956a_100000187304_200010214485 [0,1,0,0,0,1|2,0,0]=4 772 B17R1.5371 COc1cc(ccc1F)CNC(CO)C(=O)O 269956a_100000187304_100012349856 [0,1,0,0,0,1|2,0,0]=4 773 B17R1.16955 CCOc1cc(ccc1O)CNC(C)C(=O)N 34a_200000751567_100000702099 [0,1,0,0,0,1|2,0,0]=4 774 B17R1.16955 CCOc1cc(ccc1O)CNC(F)C(=O)N 34a_200000751567_100009813875 [0,1,0,0,0,1|2,0,0]=4 775 B17R1.16955 CCOc1cc(ccc1O)CNC(F)C(=O)[O-] 34a_200000751567_100020610796 [0,1,0,0,0,1|1,0,1]=4 776 B17R1.42235 COc1cc(ccc1O)CNC(C)(C)C(=O)N 34a_100000185554_100000702505 [0,1,0,0,0,1|2,0,0]=4 777 B17R1.42235 COc1cc(ccc1O)CNC(F)(F)C(=O)[O-] 34a_100000185554_100020612412 [0,1,0,0,0,1|1,0,1]=4 778 B17R1.42235 COc1cc(ccc1O)NCC(C)(C)C(=O)N 34a_100000726020_200009895572 [0,1,0,0,0,1|2,0,0]=4 779 B17R1.42235 COc1cc(ccc1O)SCC(C)(C)C(=O)N 62a_200009895572_100000694246 [0,1,0,0,0,1|2,0,0]=4 780 B17R1.57393 COc1c(ccc(c1F)CN[C@@H](C)C(=O)O)Cl 269956a_100000743915_100010116237 [0,1,0,0,0,1|2,0,0]=4 781 B17R1.57393 COc1c(ccc(c1F)CN[C@@H](C)C(=O)O)F 269956a_100000743915_100009814548 [0,1,0,0,0,1|2,0,0]=4 782 B17R1.157929 COc1ccc(cc1OC)CNC(C)C(=O)N 34a_100000185555_100000702099 [0,1,0,0,0,1|2,0,0]=4 783 B17R1.157929 COc1ccc(cc1OC)CNC(F)C(=O)N 34a_100000185555_100009813875 [0,1,0,0,0,1|2,0,0]=4 784 B17R1.157929 COc1ccc(cc1OC)CNC(F)C(=O)[O-] 34a_100000185555_100020610796 [0,1,0,0,0,1|1,0,1]=4 785 B17R1.157929 COc1ccc(cc1OC)CN[C@@H](C)C(=O)O 269956a_100000743915_100011233839 [0,1,0,0,0,1|1,0,0]=3 786 B17R1.157929 COc1ccc(cc1OC)CN[C@H](C)C(=O)N 2230a_100000119354_100011233839 [0,1,0,0,0,1|2,0,0]=4 787 B17R1.157929 COc1ccc(cc1OC)CN[C@H](C)C(=O)N 270004a_100000119354_100000170513 [0,1,0,0,0,1|2,0,0]=4 788 B17R1.157929 COc1ccc(cc1OC)COC(C)C(=O)N 34a_100000210929_100000702099 [0,1,0,0,0,1|2,0,0]=4 789 B17R1.157929 COc1ccc(cc1OC)COC(F)C(=O)N 34a_100000210929_100009813875 [0,1,0,0,0,1|2,0,0]=4 790 B17R1.157929 COc1ccc(cc1OC)COC(F)C(=O)[O-] 34a_100000210929_100020610796 [0,1,0,0,0,1|1,0,1]=4 791 B17R1.157929 COc1ccc(cc1OC)CSC(C)C(=O)C 62a_100009814033_100011233839 [0,1,0,0,0,1|2,0,0]=4 792 B17R1.157929 COc1ccc(cc1OC)CSC(C)C(=O)N 62a_100000702099_100011233839 [0,1,0,0,0,1|2,0,0]=4 793 B17R1.157929 COc1ccc(cc1OC)CSC(F)C(=O)N 62a_100009813875_100011233839 [0,1,0,0,0,1|2,0,0]=4 794 B17R1.157929 COc1ccc(cc1OC)CSC(F)C(=O)[O-] 62a_100020610796_100011233839 [0,1,0,0,0,1|1,0,1]=4 795 B17R1.5345 COC(=O)CC(=O)Cc1ccc(c(c1)OC)O 1458a_100000032101_100000747449 [0,1,0,0,0,1|1,0,1]=4 796 B17R1.5345 COC(=O)CC(C)Nc1ccc(c(c1)OC)O 34a_100000726020_100009817358 [0,1,0,0,0,1|2,0,0]=4 797 B17R1.5345 COC(=O)CC(C)Sc1ccc(c(c1)OC)O 62a_100009817358_100000694246 [0,1,0,0,0,1|2,0,0]=4 798 B17R1.47977 COc1ccc(cc1OC)CN(C)CC(=O)O 269956a_100000746989_100011233839 [0,1,0,0,0,1|2,0,0]=4 799 B17R1.455 COC(=O)C(C)Sc1cc(c(c(c1)OC)O)O 62a_100000211248_200159242197 [0,2,0,0,0,0|2,0,0]=4 800 B17R1.4638 COC(=O)C(C)Nc1ccc(c(c1)OC)CO 34a_100012183141_100000211248 [0,2,0,0,0,0|2,0,0]=4 801 B17R1.4638 COC(=O)C(C)Nc1ccc(c(c1)OC)OC 34a_100000187404_100000211248 [0,2,0,0,0,0|2,0,0]=4 802 B17R1.4638 COC(=O)C(C)Oc1ccc(c(c1)OC)CO 34a_200000116926_100000211248 [0,2,0,0,0,0|2,0,0]=4 803 B17R1.4638 COC(=O)C(C)Oc1ccc(c(c1)OC)OC 34a_100000039706_100000211248 [0,2,0,0,0,0|2,0,0]=4 804 B17R1.4638 COC(=O)C(C)Sc1ccc(c(c1)OC)CO 62a_100000211248_100011277633 [0,2,0,0,0,0|2,0,0]=4 805 B17R1.4638 COC(=O)C(C)Sc1ccc(c(c1)OC)CO 62a_100011277633_100000211248 [0,2,0,0,0,0|2,0,0]=4 806 B17R1.4638 COC(=O)C(C)Sc1ccc(c(c1)OC)OC 62a_100000211248_100011356967 [0,2,0,0,0,0|2,0,0]=4 807 B17R1.4638 COc1ccc(cc1OC)CN(C)C(=O)CO 240690a_100000180827_100000210174 [0,2,0,0,0,0|2,0,0]=4 808 B17R1.4638 COc1ccc(cc1OC)CN(C)C(=O)CO 527a_100000180827_100000210174 [0,2,0,0,0,0|2,0,0]=4 809 B17R1.47979 CNC(Cc1ccc(c(c1)OC)OC)C(=O)O 269956a_106741647118_200000210301 [0,2,0,0,0,0|0,0,0]=2 810 B17R1.47979 COc1ccc(cc1OC)CC(N[13CH3])C(=O)O 269956a_106741647118_200025704644 [0,2,0,0,0,0|0,0,0]=2 811 B17R1.5283 COC(=O)C(C)C(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000211248 [0,2,0,0,0,0|1,0,1]=4 812 B17R1.5697 CCOC(=O)C(C)Nc1ccc(c(c1)OC)O 34a_100000726020_100011216346 [0,2,0,0,0,0|2,0,0]=4 813 B17R1.5697 CCOC(=O)C(C)Sc1ccc(c(c1)OC)O 62a_100011216346_100000694246 [0,2,0,0,0,0|2,0,0]=4 814 B17R1.5697 CCOC(=O)C(F)Nc1ccc(c(c1)OC)O 34a_100000726020_100000760018 [0,2,0,0,0,0|2,0,0]=4 815 B17R1.5697 CCOC(=O)C(F)Sc1ccc(c(c1)OC)O 62a_100000760018_100000694246 [0,2,0,0,0,0|2,0,0]=4 816 B17R1.28740 COC(=O)C(C)Sc1cc(c(cc1F)O)OC 62a_100000211248_100010189133 [0,2,0,0,0,0|2,0,0]=4 817 B17R1.42093 CCC(Nc1ccc(c(c1)OC)O)C(=O)OC 34a_100000726020_100000235869 [0,2,0,0,0,0|2,0,0]=4 818 B17R1.42093 CCC(Sc1ccc(c(c1)OC)O)C(=O)OC 62a_100000235869_100000694246 [0,2,0,0,0,0|2,0,0]=4 819 B17R1.42093 COC(=O)C(C=O)Nc1ccc(c(c1)OC)O 34a_100000726020_100000046368 [0,2,0,0,0,0|2,0,0]=4 820 B17R1.42093 COC(=O)C(C=O)Sc1ccc(c(c1)OC)O 62a_100000046368_100000694246 [0,2,0,0,0,0|2,0,0]=4 821 B17R1.42093 COC(=O)C(CO)Nc1ccc(c(c1)OC)O 34a_100000726020_100012276630 [0,2,0,0,0,0|2,0,0]=4 822 B17R1.42093 COC(=O)C(CO)Sc1ccc(c(c1)OC)O 62a_100012276630_100000694246 [0,2,0,0,0,0|2,0,0]=4 823 B17R1.42093 COC(=O)C(Nc1ccc(c(c1)OC)O)OC 34a_100000726020_100000101307 [0,2,0,0,0,0|2,0,0]=4 824 B17R1.42093 COC(=O)C(OC)Sc1ccc(c(c1)OC)O 62a_100000101307_100000694246 [0,2,0,0,0,0|2,0,0]=4 825 B17R1.42188 COC(=O)C(C)(C)Sc1ccc(c(c1)OC)O 62a_100000689032_100000694246 [0,2,0,0,0,0|2,0,0]=4 826 B17R1.42188 COC(=O)C(C)(F)Nc1ccc(c(c1)OC)O 34a_100000726020_200009867631 [0,2,0,0,0,0|2,0,0]=4 827 B17R1.42188 COC(=O)C(C)(F)Sc1ccc(c(c1)OC)O 62a_200009867631_100000694246 [0,2,0,0,0,0|2,0,0]=4 828 B17R1.42188 COC(=O)C(F)(F)Nc1ccc(c(c1)OC)O 34a_100000726020_100000211177 [0,2,0,0,0,0|2,0,0]=4 829 B17R1.42188 COC(=O)C(F)(F)Sc1ccc(c(c1)OC)O 62a_100000211177_100000694246 [0,2,0,0,0,0|2,0,0]=4 830 B15R2.7688 CC(=O)CCc1ccc2c(c1)CCO2 1458a_100000070787_100000763274 [1,0,0,1,0,0|2,0,0]=4 831 B15R2.7688 CC(=O)CCc1ccc2c(c1)CCO2 1458a_100000686558_200000210301 [1,0,0,1,0,0|2,0,0]=4 832 B15R2.7688 CC(=O)CCc1ccc2c(c1)OCO2 1458a_100000235677_200000210301 [1,0,0,1,0,0|1,0,0]=3 833 B15R2.7688 CC(=O)COc1ccc2c(c1)OCO2 1458a_100000246017_200000210301 [1,0,0,1,0,0|2,0,0]=4 834 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 11a_100000210006_100015343762 [1,0,0,1,0,0|2,0,0]=4 835 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 1626a_100000210006_100015343762 [1,0,0,1,0,0|2,0,0]=4 836 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 240690a_100000210006_100015343762 [1,0,0,1,0,0|2,0,0]=4 837 B15R2.7688 CC(=O)NCc1ccc2c(c1)OCO2 527a_100000210006_100103153847 [1,0,0,1,0,0|2,0,0]=4 838 B15R2.7688 NC(=O)CNc1ccc2c(c1)OCO2 2230a_100000209953_100000747473 [1,0,0,1,0,0|2,0,0]=4 839 B15R2.7688 NC(=O)CNc1ccc2c(c1)OCO2 34a_100000209953_100000187820 [1,0,0,1,0,0|2,0,0]=4 840 B15R2.7688 NC(=O)COc1ccc2c(c1)OCO2 34a_100000210298_100000187820 [1,0,0,1,0,0|2,0,0]=4 841 B15R2.7688 O=C([O-])CNc1ccc2c(c1)OCO2 34a_100000209953_100020667443 [1,0,0,1,0,0|1,0,1]=4 842 B15R2.7688 O=C([O-])COc1ccc2c(c1)OCO2 34a_100000210298_100020667443 [1,0,0,1,0,0|1,0,1]=4 843 B15R2.7688 [13CH3]C(=O)CCc1ccc2c(c1)CCO2 1458a_100000686558_200025704644 [1,0,0,1,0,0|2,0,0]=4 844 B15R2.7688 [13CH3]C(=O)CCc1ccc2c(c1)OCO2 1458a_100000235677_200025704644 [1,0,0,1,0,0|1,0,0]=3 845 B15R2.7688 [13CH3]C(=O)COc1ccc2c(c1)OCO2 1458a_100000246017_200025704644 [1,0,0,1,0,0|2,0,0]=4 846 B15R2.4239 CC(=O)C(O)c1ccc2c(c1)OCO2 1458a_200011216465_200000210301 [0,0,0,1,1,0|2,0,0]=4 847 B15R2.4239 [13CH3]C(=O)C(O)c1ccc2c(c1)OCO2 1458a_200011216465_200025704644 [0,0,0,1,1,0|2,0,0]=4 848 B17R2.10516 COc1cc(ccc1O)CNC2CCC2=O 34a_100000185554_100009892977 [0,0,0,1,0,1|2,0,0]=4 849 B17R2.45524 CC(=O)C(C)NCc1ccc2c(c1)OCO2 2230a_100000210006_100009814033 [0,0,0,1,0,1|2,0,0]=4 850 B17R2.45524 CC(=O)C(C)OCc1ccc2c(c1)OCO2 34a_100000212229_100000189651 [0,0,0,1,0,1|2,0,0]=4 851 B17R2.45524 CC(NCc1ccc2c(c1)OCO2)C(=O)N 2230a_100000210006_100000702099 [0,0,0,1,0,1|2,0,0]=4 852 B17R2.45524 CC(NCc1ccc2c(c1)OCO2)C(=O)N 34a_100000210006_100000702099 [0,0,0,1,0,1|2,0,0]=4 853 B17R2.45524 CC(OCc1ccc2c(c1)OCO2)C(=O)N 34a_100000210967_100000702099 [0,0,0,1,0,1|2,0,0]=4 854 B17R2.45524 C[C@@H](NCc1ccc2c(c1)OCO2)C(=O)N 34a_100000119354_100000189651 [0,0,0,1,0,1|2,0,0]=4 855 B17R2.45524 C[C@@H](OCc1ccc2c(c1)OCO2)C(=O)N 34a_100000731257_100000189651 [0,0,0,1,0,1|2,0,0]=4 856 B17R2.45524 C[C@@H](OCc1ccc2c(c1)OCO2)C(=O)N 7a_100000731257_100000189651 [0,0,0,1,0,1|2,0,0]=4 857 B17R2.45524 C[C@H](NCc1ccc2c(c1)OCO2)C(=O)O 269956a_100000743915_100000189651 [0,0,0,1,0,1|1,0,0]=3 858 B17R2.45524 C[C@H](OCc1ccc2c(c1)OCO2)C(=O)[O-] 7a_217856618621_100000189651 [0,0,0,1,0,1|1,0,1]=4 859 B17R2.45524 NC(=O)C(F)NCc1ccc2c(c1)OCO2 2230a_100000210006_100009813875 [0,0,0,1,0,1|2,0,0]=4 860 B17R2.45524 NC(=O)C(F)NCc1ccc2c(c1)OCO2 34a_100000210006_100009813875 [0,0,0,1,0,1|2,0,0]=4 861 B17R2.45524 NC(=O)C(F)OCc1ccc2c(c1)OCO2 34a_100000210967_100009813875 [0,0,0,1,0,1|2,0,0]=4 862 B17R2.45524 O=C([O-])C(F)NCc1ccc2c(c1)OCO2 34a_100000210006_100020610796 [0,0,0,1,0,1|1,0,1]=4 863 B17R2.45524 O=C([O-])C(F)OCc1ccc2c(c1)OCO2 34a_100000210967_100020610796 [0,0,0,1,0,1|1,0,1]=4 864 B17R2.2499 COc1cc(ccc1O)NC2COC(=O)O2 34a_100000726020_100000032252 [0,0,0,1,0,1|2,0,0]=4 865 B17R2.45097 CN(CC(=O)O)Cc1ccc2c(c1)OCO2 269956a_100000746989_100000189651 [0,0,0,1,0,1|2,0,0]=4 866 B17R2.10430 COc1cc(ccc1O)NC2CCOC2=O 34a_100000726020_100000211211 [0,1,0,1,0,0|2,0,0]=4 867 B17R2.10430 COc1cc(ccc1O)SC2CCOC2=O 62a_100000211211_100000694246 [0,1,0,1,0,0|2,0,0]=4 868 B17R2.18982 CC(Cc1ccc2c(c1)OCO2)C(=O)CF 1458a_100000062412_100015361967 [0,1,0,1,0,0|2,0,0]=4 869 B17R2.18982 CCC(=O)C(C)Cc1ccc2c(c1)OCO2 1458a_100000062412_100000210202 [0,1,0,1,0,0|2,0,0]=4 870 B17R2.18982 CN(Cc1ccc2c(c1)OCO2)C(=O)CO 240690a_100000186720_100000210174 [0,1,0,1,0,0|2,0,0]=4 871 B17R2.18982 CN(Cc1ccc2c(c1)OCO2)C(=O)CO 527a_100000186720_100000210174 [0,1,0,1,0,0|2,0,0]=4 872 B17R2.18982 CNC(=O)C(C)Cc1ccc2c(c1)OCO2 11a_106832991635_100000062412 [0,1,0,1,0,0|2,0,0]=4 873 B17R2.18982 CNC(=O)C(C)Cc1ccc2c(c1)OCO2 1626a_100102657272_100000062412 [0,1,0,1,0,0|2,0,0]=4 874 B17R2.18982 CNC(=O)C(C)Cc1ccc2c(c1)OCO2 240690a_100102657272_100000062412 [0,1,0,1,0,0|2,0,0]=4 875 B17R2.18982 CNC(=O)C(C)Cc1ccc2c(c1)OCO2 527a_100102657272_100000062412 [0,1,0,1,0,0|2,0,0]=4 876 B17R2.18982 COC(=O)C(C)Nc1ccc2c(c1)OCO2 2230a_100000209953_100000211248 [0,1,0,1,0,0|2,0,0]=4 877 B17R2.18982 COC(=O)C(C)Nc1ccc2c(c1)OCO2 34a_100000209953_100000211248 [0,1,0,1,0,0|2,0,0]=4 878 B17R2.18982 COC(=O)C(C)Oc1ccc2c(c1)OCO2 34a_100000210298_100000211248 [0,1,0,1,0,0|2,0,0]=4 879 B13R1.510 CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200000210301 [1,0,0,0,1,0|2,0,0]=4 880 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200025704644 [1,0,0,0,1,0|2,0,0]=4 881 B15R1.4030 C=C(C)CCNc1ccc(c(c1)OC)O 34a_100000726020_100000730704 [1,0,0,0,0,1|2,0,0]=4 882 B15R1.4030 C=C(C)CCSc1ccc(c(c1)OC)O 62a_100000730704_100000694246 [1,0,0,0,0,1|2,0,0]=4 883 B15R1.4030 C=C(C)CNCc1ccc(c(c1)OC)O 34a_100000185554_100000748629 [1,0,0,0,0,1|2,0,0]=4 884 B15R1.4030 C=C(F)CNCc1ccc(c(c1)OC)O 34a_100000185554_100009893438 [1,0,0,0,0,1|2,0,0]=4 885 B15R1.4030 CCc1cc(ccc1O)SCCC(=O)C 62a_100000053229_100012338938 [1,0,0,0,0,1|2,0,0]=4 886 B15R1.4030 CCc1cc(ccc1O)SCCC(=O)N 62a_100000744528_100012338938 [1,0,0,0,0,1|2,0,0]=4 887 B15R1.4030 COc1cc(ccc1Br)CNCC(=O)N 2230a_100000711301_100010110085 [1,0,0,0,0,1|2,0,0]=4 888 B15R1.4030 COc1cc(ccc1Br)CNCC(=O)O 269956a_100016091260_100010110085 [1,0,0,0,0,1|1,0,0]=3 889 B15R1.4030 COc1cc(ccc1Br)COCC(=O)C 34a_100000211253_100010110085 [1,0,0,0,0,1|2,0,0]=4 890 B15R1.4030 COc1cc(ccc1Br)COCC(=O)N 34a_100010234685_100000187820 [1,0,0,0,0,1|2,0,0]=4 891 B15R1.4030 COc1cc(ccc1Br)COCC(=O)N 7a_100010234685_100000187820 [1,0,0,0,0,1|2,0,0]=4 892 B15R1.4030 COc1cc(ccc1Br)COCC(=O)[O-] 34a_100010234685_100020667443 [1,0,0,0,0,1|1,0,1]=4 893 B15R1.4030 COc1cc(ccc1Br)CSCC(=O)N 62a_100000747473_100010110085 [1,0,0,0,0,1|2,0,0]=4 894 B15R1.4030 COc1cc(ccc1Br)CSCC(=O)N 62a_100010110085_100000747473 [1,0,0,0,0,1|2,0,0]=4 895 B15R1.4030 COc1cc(ccc1Br)CSCC(=O)[O-] 62a_100010110085_100020667443 [1,0,0,0,0,1|1,0,1]=4 896 B15R1.4030 COc1cc(ccc1Br)CSCC(=O)[O-] 62a_100020667443_100010110085 [1,0,0,0,0,1|1,0,1]=4 897 B15R1.4030 COc1cc(ccc1Br)NCCC(=O)N 2230a_100000765947_100000744528 [1,0,0,0,0,1|2,0,0]=4 898 B15R1.4030 COc1cc(ccc1Br)NCCC(=O)N 34a_100000765947_100000731001 [1,0,0,0,0,1|2,0,0]=4 899 B15R1.4030 COc1cc(ccc1Br)OCCC(=O)C 7a_100011827694_100000053229 [1,0,0,0,0,1|2,0,0]=4 900 B15R1.4030 COc1cc(ccc1Br)OCCC(=O)N 34a_100011827694_100000731001 [1,0,0,0,0,1|2,0,0]=4 901 B15R1.4030 COc1cc(ccc1Br)OCCC(=O)N 7a_100011827694_100000744528 [1,0,0,0,0,1|2,0,0]=4 902 B15R1.4030 COc1cc(ccc1Br)SCCC(=O)C 62a_100000053229_100012353699 [1,0,0,0,0,1|2,0,0]=4 903 B15R1.4030 COc1cc(ccc1Br)SCCC(=O)C 62a_100012353699_100000053229 [1,0,0,0,0,1|2,0,0]=4 904 B15R1.4030 COc1cc(ccc1Br)SCCC(=O)N 62a_100000744528_100012353699 [1,0,0,0,0,1|2,0,0]=4 905 B15R1.4030 COc1cc(ccc1Br)SCCC(=O)N 62a_100012353699_100000744528 [1,0,0,0,0,1|2,0,0]=4 906 B15R1.4030 COc1cc(ccc1C)COCC(=O)N 34a_100000752651_100000187820 [1,0,0,0,0,1|2,0,0]=4 907 B15R1.4030 COc1cc(ccc1C)COCC(=O)N 7a_100000752651_100000187820 [1,0,0,0,0,1|2,0,0]=4 908 B15R1.4030 COc1cc(ccc1C)COCC(=O)[O-] 34a_100000752651_100020667443 [1,0,0,0,0,1|1,0,1]=4 909 B15R1.4030 COc1cc(ccc1C)NCCC(=O)N 2230a_100011279678_100000744528 [1,0,0,0,0,1|2,0,0]=4 910 B15R1.4030 COc1cc(ccc1C)NCCC(=O)N 34a_100011279678_100000731001 [1,0,0,0,0,1|2,0,0]=4 911 B15R1.4030 COc1cc(ccc1C)OCCC(=O)C 7a_100009865632_100000053229 [1,0,0,0,0,1|2,0,0]=4 912 B15R1.4030 COc1cc(ccc1C)OCCC(=O)N 34a_100009865632_100000731001 [1,0,0,0,0,1|2,0,0]=4 913 B15R1.4030 COc1cc(ccc1C)OCCC(=O)N 7a_100009865632_100000744528 [1,0,0,0,0,1|2,0,0]=4 914 B15R1.4030 COc1cc(ccc1C)SCCC(=O)C 62a_100000053229_100011830276 [1,0,0,0,0,1|2,0,0]=4 915 B15R1.4030 COc1cc(ccc1C)SCCC(=O)C 62a_100011830276_100000053229 [1,0,0,0,0,1|2,0,0]=4 916 B15R1.4030 COc1cc(ccc1C)SCCC(=O)N 62a_100000744528_100011830276 [1,0,0,0,0,1|2,0,0]=4 917 B15R1.4030 COc1cc(ccc1C)SCCC(=O)N 62a_100011830276_100000744528 [1,0,0,0,0,1|2,0,0]=4 918 B15R1.4030 COc1cc(ccc1Cl)CNCC(=O)N 2230a_100000711301_200010214485 [1,0,0,0,0,1|2,0,0]=4 919 B15R1.4030 COc1cc(ccc1Cl)CNCC(=O)N 2230a_100015204853_100000747473 [1,0,0,0,0,1|2,0,0]=4 920 B15R1.4030 COc1cc(ccc1Cl)CNCC(=O)N 34a_100015204853_100000187820 [1,0,0,0,0,1|2,0,0]=4 921 B15R1.4030 COc1cc(ccc1Cl)CNCC(=O)O 269956a_100016091260_200010214485 [1,0,0,0,0,1|1,0,0]=3 922 B15R1.4030 COc1cc(ccc1Cl)CNCC(=O)[O-] 34a_100015204853_100020667443 [1,0,0,0,0,1|1,0,1]=4 923 B15R1.4030 COc1cc(ccc1Cl)COCC(=O)C 34a_100000211253_200010214485 [1,0,0,0,0,1|2,0,0]=4 924 B15R1.4030 COc1cc(ccc1Cl)COCC(=O)N 34a_100012179228_100000187820 [1,0,0,0,0,1|2,0,0]=4 925 B15R1.4030 COc1cc(ccc1Cl)COCC(=O)[O-] 34a_100012179228_100020667443 [1,0,0,0,0,1|1,0,1]=4 926 B15R1.4030 COc1cc(ccc1Cl)CSCC(=O)N 62a_100000747473_200010214485 [1,0,0,0,0,1|2,0,0]=4 927 B15R1.4030 COc1cc(ccc1Cl)CSCC(=O)N 62a_200010214485_100000747473 [1,0,0,0,0,1|2,0,0]=4 928 B15R1.4030 COc1cc(ccc1Cl)CSCC(=O)[O-] 62a_100020667443_200010214485 [1,0,0,0,0,1|1,0,1]=4 929 B15R1.4030 COc1cc(ccc1Cl)CSCC(=O)[O-] 62a_200010214485_100020667443 [1,0,0,0,0,1|1,0,1]=4 930 B15R1.4030 COc1cc(ccc1Cl)NCCC(=O)N 2230a_100000742311_100000744528 [1,0,0,0,0,1|2,0,0]=4 931 B15R1.4030 COc1cc(ccc1Cl)NCCC(=O)N 34a_100000742311_100000731001 [1,0,0,0,0,1|2,0,0]=4 932 B15R1.4030 COc1cc(ccc1Cl)OCCC(=O)C 7a_100012186310_100000053229 [1,0,0,0,0,1|2,0,0]=4 933 B15R1.4030 COc1cc(ccc1Cl)OCCC(=O)N 34a_100012186310_100000731001 [1,0,0,0,0,1|2,0,0]=4 934 B15R1.4030 COc1cc(ccc1Cl)OCCC(=O)N 7a_100012186310_100000744528 [1,0,0,0,0,1|2,0,0]=4 935 B15R1.4030 COc1cc(ccc1Cl)SCCC(=O)C 62a_100000053229_100011356853 [1,0,0,0,0,1|2,0,0]=4 936 B15R1.4030 COc1cc(ccc1Cl)SCCC(=O)C 62a_100011356853_100000053229 [1,0,0,0,0,1|2,0,0]=4 937 B15R1.4030 COc1cc(ccc1Cl)SCCC(=O)N 62a_100000744528_100011356853 [1,0,0,0,0,1|2,0,0]=4 938 B15R1.4030 COc1cc(ccc1Cl)SCCC(=O)N 62a_100011356853_100000744528 [1,0,0,0,0,1|2,0,0]=4 939 B15R1.4030 COc1cc(ccc1F)CNCC(=O)N 2230a_100000711301_100012349856 [1,0,0,0,0,1|2,0,0]=4 940 B15R1.4030 COc1cc(ccc1F)CNCC(=O)N 2230a_100020626639_100000747473 [1,0,0,0,0,1|2,0,0]=4 941 B15R1.4030 COc1cc(ccc1F)CNCC(=O)N 34a_100020626639_100000187820 [1,0,0,0,0,1|2,0,0]=4 942 B15R1.4030 COc1cc(ccc1F)CNCC(=O)O 269956a_100016091260_100012349856 [1,0,0,0,0,1|1,0,0]=3 943 B15R1.4030 COc1cc(ccc1F)CNCC(=O)[O-] 34a_100020626639_100020667443 [1,0,0,0,0,1|1,0,1]=4 944 B15R1.4030 COc1cc(ccc1F)COCC(=O)C 34a_100000211253_100012349856 [1,0,0,0,0,1|2,0,0]=4 945 B15R1.4030 COc1cc(ccc1F)COCC(=O)N 34a_100000692429_100000187820 [1,0,0,0,0,1|2,0,0]=4 946 B15R1.4030 COc1cc(ccc1F)COCC(=O)N 7a_100000692429_100000187820 [1,0,0,0,0,1|2,0,0]=4 947 B15R1.4030 COc1cc(ccc1F)COCC(=O)[O-] 34a_100000692429_100020667443 [1,0,0,0,0,1|1,0,1]=4 948 B15R1.4030 COc1cc(ccc1F)CSCC(=O)N 62a_100000747473_100012349856 [1,0,0,0,0,1|2,0,0]=4 949 B15R1.4030 COc1cc(ccc1F)CSCC(=O)N 62a_100012349856_100000747473 [1,0,0,0,0,1|2,0,0]=4 950 B15R1.4030 COc1cc(ccc1F)CSCC(=O)[O-] 62a_100012349856_100020667443 [1,0,0,0,0,1|1,0,1]=4 951 B15R1.4030 COc1cc(ccc1F)CSCC(=O)[O-] 62a_100020667443_100012349856 [1,0,0,0,0,1|1,0,1]=4 952 B15R1.4030 COc1cc(ccc1F)NCCC(=O)N 2230a_100000701188_100000744528 [1,0,0,0,0,1|2,0,0]=4 953 B15R1.4030 COc1cc(ccc1F)NCCC(=O)N 34a_100000701188_100000731001 [1,0,0,0,0,1|2,0,0]=4 954 B15R1.4030 COc1cc(ccc1F)OCCC(=O)C 7a_100012001760_100000053229 [1,0,0,0,0,1|2,0,0]=4 955 B15R1.4030 COc1cc(ccc1F)OCCC(=O)N 34a_100012001760_100000731001 [1,0,0,0,0,1|2,0,0]=4 956 B15R1.4030 COc1cc(ccc1F)OCCC(=O)N 7a_100012001760_100000744528 [1,0,0,0,0,1|2,0,0]=4 957 B15R1.4030 COc1cc(ccc1F)SCCC(=O)C 62a_100000053229_100011934186 [1,0,0,0,0,1|2,0,0]=4 958 B15R1.4030 COc1cc(ccc1F)SCCC(=O)C 62a_100011934186_100000053229 [1,0,0,0,0,1|2,0,0]=4 959 B15R1.4030 COc1cc(ccc1F)SCCC(=O)N 62a_100000744528_100011934186 [1,0,0,0,0,1|2,0,0]=4 960 B15R1.4030 COc1cc(ccc1F)SCCC(=O)N 62a_100011934186_100000744528 [1,0,0,0,0,1|2,0,0]=4 961 B15R1.4030 COc1cc(ccc1I)NCCC(=O)N 34a_100000746945_100000731001 [1,0,0,0,0,1|2,0,0]=4 962 B15R1.4030 COc1cc(ccc1N)COCC(=O)N 34a_100000087641_100000187820 [1,0,0,0,0,1|2,0,0]=4 963 B15R1.4030 COc1cc(ccc1N)COCC(=O)[O-] 34a_100000087641_100020667443 [1,0,0,0,0,1|1,0,1]=4 964 B15R1.4030 COc1cc(ccc1N)OCCC(=O)C 7a_100015326901_100000053229 [1,0,0,0,0,1|2,0,0]=4 965 B15R1.4030 COc1cc(ccc1N)OCCC(=O)N 34a_100015326901_100000731001 [1,0,0,0,0,1|2,0,0]=4 966 B15R1.4030 COc1cc(ccc1N)OCCC(=O)N 7a_100015326901_100000744528 [1,0,0,0,0,1|2,0,0]=4 967 B15R1.4030 COc1cc(ccc1N)SCCC(=O)C 62a_100000053229_100015196925 [1,0,0,0,0,1|2,0,0]=4 968 B15R1.4030 COc1cc(ccc1N)SCCC(=O)C 62a_100011279103_100000053229 [1,0,0,0,0,1|2,0,0]=4 969 B15R1.4030 COc1cc(ccc1N)SCCC(=O)N 62a_100000744528_100015196925 [1,0,0,0,0,1|2,0,0]=4 970 B15R1.4030 COc1cc(ccc1N)SCCC(=O)N 62a_100011279103_100000744528 [1,0,0,0,0,1|2,0,0]=4 971 B15R1.4030 COc1cc(ccc1O)CCNC(=O)C 240690a_100000756042_100015343762 [1,0,0,0,0,1|1,0,0]=3 972 B15R1.4030 COc1cc(ccc1O)CCNC(=O)C 527a_100000756042_100103153847 [1,0,0,0,0,1|1,0,0]=3 973 B15R1.4030 COc1cc(ccc1O)CNCC(=O)N 34a_100000185554_100000187820 [1,0,0,0,0,1|1,0,0]=3 974 B15R1.4030 COc1cc(ccc1O)CNCC(=O)[O-] 34a_100000185554_100020667443 [1,0,0,0,0,1|0,0,1]=3 975 B15R1.4030 COc1cc(ccc1O)CNCC(C)O 34a_100000185554_100011218427 [1,0,0,0,0,1|1,0,1]=4 976 B15R1.4030 COc1cc(ccc1O)CNC[C@@H](C)O 34a_100000185554_100009817552 [1,0,0,0,0,1|1,0,1]=4 977 B15R1.4030 COc1cc(ccc1O)CNC[N+](=O)[O-] 34a_100000185554_100000761209 [1,0,0,0,0,1|1,0,1]=4 978 B15R1.4030 COc1cc(ccc1O)NCCC(=O)N 34a_100000726020_100000731001 [1,0,0,0,0,1|1,0,0]=3 979 B15R1.4030 COc1cc(ccc1O)NCCC(C)O 34a_100000726020_100012276601 [1,0,0,0,0,1|1,0,1]=4 980 B15R1.4030 COc1cc(ccc1O)NCOC(=O)C 34a_100000726020_100009813279 [1,0,0,0,0,1|2,0,0]=4 981 B15R1.4030 COc1cc(ccc1O)SCCC(=O)C 62a_100000053229_100000694246 [1,0,0,0,0,1|1,0,0]=3 982 B15R1.4030 COc1cc(ccc1O)SCCC(=O)N 62a_100000744528_100000694246 [1,0,0,0,0,1|1,0,0]=3 983 B15R1.4030 COc1cc(ccc1O)SCCC(C)O 62a_100012276601_100000694246 [1,0,0,0,0,1|1,0,1]=4 984 B15R1.4030 COc1cc(ccc1O)SCOC(=O)C 62a_100000076356_100000694246 [1,0,0,0,0,1|2,0,0]=4 985 B15R1.4030 COc1nc(ccc1Br)CNCC(=O)O 269956a_100016091260_200010066506 [1,0,0,0,0,1|2,0,0]=4 986 B15R1.4030 COc1nc(ccc1O)SCCC(=O)C 62a_100000053229_100010893133 [1,0,0,0,0,1|2,0,0]=4 987 B15R1.4030 COc1nc(ccc1O)SCCC(=O)N 62a_100000744528_100010893133 [1,0,0,0,0,1|2,0,0]=4 988 B15R1.4030 O=Cc1cc(ccc1O)CNCC(=O)O 269956a_100016091260_100000008128 [1,0,0,0,0,1|2,0,0]=4 989 B15R1.1570 COc1cc(ccn1)CN[C@@H](C)C(=O)O 269956a_100000743915_100103152439 [1,0,0,0,0,1|2,0,0]=4 990 B15R1.1570 COc1cccc(c1)CNC(C)C(=O)C 2230a_100000174954_100009814033 [1,0,0,0,0,1|2,0,0]=4 991 B15R1.1570 COc1cccc(c1)CNC(C)C(=O)N 2230a_100000174954_100000702099 [1,0,0,0,0,1|2,0,0]=4 992 B15R1.1570 COc1cccc(c1)CNC(C)C(=O)N 34a_100000174954_100000702099 [1,0,0,0,0,1|2,0,0]=4 993 B15R1.1570 COc1cccc(c1)CNC(F)C(=O)N 2230a_100000174954_100009813875 [1,0,0,0,0,1|2,0,0]=4 994 B15R1.1570 COc1cccc(c1)CNC(F)C(=O)N 34a_100000174954_100009813875 [1,0,0,0,0,1|2,0,0]=4 995 B15R1.1570 COc1cccc(c1)CNC(F)C(=O)[O-] 34a_100000174954_100020610796 [1,0,0,0,0,1|1,0,1]=4 996 B15R1.1570 COc1cccc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000211672 [1,0,0,0,0,1|1,0,0]=3 997 B15R1.1570 COc1cccc(c1)CN[C@H](C)C(=O)N 2230a_100000119354_100000211672 [1,0,0,0,0,1|2,0,0]=4 998 B15R1.1570 COc1cccc(c1)CN[C@H](C)C(=O)N 270004a_100000119354_100000170238 [1,0,0,0,0,1|2,0,0]=4 999 B15R1.1570 COc1cccc(c1)CN[C@H](C)C(=O)N 34a_100000119354_100000688526 [1,0,0,0,0,1|2,0,0]=4 1000 B15R1.1570 COc1cccc(c1)COC(C)C(=O)C 34a_100000212229_100000688526 [1,0,0,0,0,1|2,0,0]=4 1001 B15R1.1570 COc1cccc(c1)COC(C)C(=O)N 34a_100000198976_100000702099 [1,0,0,0,0,1|2,0,0]=4 1002 B15R1.1570 COc1cccc(c1)COC(F)C(=O)N 34a_100000198976_100009813875 [1,0,0,0,0,1|2,0,0]=4 1003 B15R1.1570 COc1cccc(c1)COC(F)C(=O)[O-] 34a_100000198976_100020610796 [1,0,0,0,0,1|1,0,1]=4 1004 B15R1.1570 COc1cccc(c1)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000211672 [1,0,0,0,0,1|1,0,1]=4 1005 B15R1.1570 COc1cccc(c1)CO[C@H](C)C(=O)N 34a_100000731257_100000688526 [1,0,0,0,0,1|2,0,0]=4 1006 B15R1.1570 COc1cccc(c1)CO[C@H](C)C(=O)N 7a_100000731257_100000211672 [1,0,0,0,0,1|2,0,0]=4 1007 B15R1.1570 COc1cccc(c1)CSC(C)C(=O)C 62a_100000688526_100009814033 [1,0,0,0,0,1|2,0,0]=4 1008 B15R1.1570 COc1cccc(c1)CSC(C)C(=O)C 62a_100009814033_100000211672 [1,0,0,0,0,1|2,0,0]=4 1009 B15R1.1570 COc1cccc(c1)CSC(C)C(=O)N 62a_100000688526_100000702099 [1,0,0,0,0,1|2,0,0]=4 1010 B15R1.1570 COc1cccc(c1)CSC(C)C(=O)N 62a_100000702099_100000211672 [1,0,0,0,0,1|2,0,0]=4 1011 B15R1.1570 COc1cccc(c1)CSC(F)C(=O)N 62a_100000688526_100009813875 [1,0,0,0,0,1|2,0,0]=4 1012 B15R1.1570 COc1cccc(c1)CSC(F)C(=O)N 62a_100009813875_100000211672 [1,0,0,0,0,1|2,0,0]=4 1013 B15R1.1570 COc1cccc(c1)CSC(F)C(=O)[O-] 62a_100000688526_100020610796 [1,0,0,0,0,1|1,0,1]=4 1014 B15R1.1570 COc1cccc(c1)CSC(F)C(=O)[O-] 62a_100020610796_100000211672 [1,0,0,0,0,1|1,0,1]=4 1015 B15R1.1570 COc1cccc(n1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000755263 [1,0,0,0,0,1|2,0,0]=4 1016 B15R1.1570 COc1ccnc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000752681 [1,0,0,0,0,1|2,0,0]=4 1017 B15R1.1624 COc1cccc(c1)CN(C)CC(=O)O 269956a_100000746989_100000211672 [1,0,0,0,0,1|2,0,0]=4 1018 B15R1.1624 COc1cccc(c1)CN(C)CC(=O)O 269956a_200011259090_200000210301 [1,0,0,0,0,1|2,0,0]=4 1019 B15R1.1624 COc1cccc(c1)CN([13CH3])CC(=O)O 269956a_200011259090_200025704644 [1,0,0,0,0,1|2,0,0]=4 1020 B17R1.5260 COc1cc(ccc1O)CCN(C)CC(=O)O 269956a_100000746989_100010741665 [0,0,0,0,0,2|2,0,0]=4 1021 B17R1.5291 COc1cc(ccc1Br)CNCC(C)C(=O)O 269956a_100000749485_100010110085 [0,0,0,0,0,2|2,0,0]=4 1022 B17R1.5291 COc1cc(ccc1Br)CNCC(F)C(=O)O 269956a_100000084737_100010110085 [0,0,0,0,0,2|2,0,0]=4 1023 B17R1.5291 COc1cc(ccc1Br)COC[C@H](N)C(=O)N 34a_100000729942_100010110085 [0,0,0,0,0,2|2,0,0]=4 1024 B17R1.5291 COc1cc(ccc1Cl)CNCC(C)C(=O)O 269956a_100000749485_200010214485 [0,0,0,0,0,2|2,0,0]=4 1025 B17R1.5291 COc1cc(ccc1Cl)CNCC(F)C(=O)O 269956a_100000084737_200010214485 [0,0,0,0,0,2|2,0,0]=4 1026 B17R1.5291 COc1cc(ccc1Cl)COC[C@H](N)C(=O)N 34a_100000729942_200010214485 [0,0,0,0,0,2|2,0,0]=4 1027 B17R1.5291 COc1cc(ccc1F)CNCC(C)C(=O)O 269956a_100000749485_100012349856 [0,0,0,0,0,2|2,0,0]=4 1028 B17R1.5291 COc1cc(ccc1F)CNCC(F)C(=O)O 269956a_100000084737_100012349856 [0,0,0,0,0,2|2,0,0]=4 1029 B17R1.5291 COc1cc(ccc1F)COC[C@H](N)C(=O)N 34a_100000729942_100012349856 [0,0,0,0,0,2|2,0,0]=4 1030 B17R1.5291 COc1cc(ccc1O)CCNC(C)C(=O)N 34a_100000756042_100000702099 [0,0,0,0,0,2|2,0,0]=4 1031 B17R1.5291 COc1cc(ccc1O)CCNC(F)C(=O)N 34a_100000756042_100009813875 [0,0,0,0,0,2|2,0,0]=4 1032 B17R1.5291 COc1cc(ccc1O)CCNC(F)C(=O)[O-] 34a_100000756042_100020610796 [0,0,0,0,0,2|1,0,1]=4 1033 B17R1.5291 COc1cc(ccc1O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100010741665 [0,0,0,0,0,2|1,0,0]=3 1034 B17R1.5291 COc1cc(ccc1O)CCN[C@H](C)C(=O)N 2230a_100000119354_100010741665 [0,0,0,0,0,2|2,0,0]=4 1035 B17R1.5291 COc1cc(ccc1O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100010741665 [0,0,0,0,0,2|1,0,1]=4 1036 B17R1.5291 COc1cc(ccc1O)CCO[C@H](C)C(=O)N 7a_100000731257_100010741665 [0,0,0,0,0,2|2,0,0]=4 1037 B17R1.5291 COc1cc(ccc1O)CCSC(C)C(=O)C 62a_100009814033_100010741665 [0,0,0,0,0,2|2,0,0]=4 1038 B17R1.5291 COc1cc(ccc1O)CCSC(C)C(=O)N 62a_100000702099_100010741665 [0,0,0,0,0,2|2,0,0]=4 1039 B17R1.5291 COc1cc(ccc1O)CCSC(F)C(=O)N 62a_100009813875_100010741665 [0,0,0,0,0,2|2,0,0]=4 1040 B17R1.5291 COc1cc(ccc1O)CCSC(F)C(=O)[O-] 62a_100020610796_100010741665 [0,0,0,0,0,2|1,0,1]=4