0 B14R1.863 C#Cc1ccccc1NCC(O)CC 34a_100011470550_100011218378 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.863 C#Cc1ccccc1NCC(O)CO 34a_100011470550_100011219619 [0,0,0,0,0,0|2,0,1]=3 2 B14R1.863 C#Cc1ccccc1NC[C@@H](C)CO 34a_100011470550_100000059175 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.863 C#Cc1ccccc1NC[C@@H](O)CF 34a_100011470550_100015614560 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.863 C#Cc1ccccc1NC[C@@H](O)CO 34a_100011470550_100009815848 [0,0,0,0,0,0|2,0,1]=3 5 B14R1.863 C#Cc1ccccc1OCC(C)CC 34a_200011470546_100000748023 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.863 C#Cc1ccccc1OCC(C)CC 7a_200011470546_100000748023 [0,0,0,0,0,0|3,0,1]=4 7 B14R1.863 C#Cc1ccccc1OCC(O)C=C 34a_200011470546_100000730141 [0,0,0,0,0,0|2,0,2]=4 8 B14R1.863 C#Cc1ccccc1OCC(O)C=C 7a_200011470546_100000730141 [0,0,0,0,0,0|2,0,2]=4 9 B14R1.863 C#Cc1ccccc1OCC(O)CC 34a_200011470546_100011218378 [0,0,0,0,0,0|2,0,1]=3 10 B14R1.863 C#Cc1ccccc1OCC(O)CC 7a_200011470546_100011218378 [0,0,0,0,0,0|2,0,1]=3 11 B14R1.863 C#Cc1ccccc1OCC(O)CO 34a_200011470546_100011219619 [0,0,0,0,0,0|1,0,1]=2 12 B14R1.863 C#Cc1ccccc1OCC(O)CO 7a_200011470546_100011219619 [0,0,0,0,0,0|1,0,1]=2 13 B14R1.863 C#Cc1ccccc1OC[C@@H](C)CC 34a_200011470546_100009816398 [0,0,0,0,0,0|3,0,1]=4 14 B14R1.863 C#Cc1ccccc1OC[C@@H](C)CC 7a_200011470546_100009816398 [0,0,0,0,0,0|3,0,1]=4 15 B14R1.863 C#Cc1ccccc1OC[C@@H](C)CO 34a_200011470546_100000059175 [0,0,0,0,0,0|2,0,1]=3 16 B14R1.863 C#Cc1ccccc1OC[C@@H](C)CO 7a_200011470546_100000059175 [0,0,0,0,0,0|2,0,1]=3 17 B14R1.863 C#Cc1ccccc1OC[C@@H](O)CF 34a_200011470546_100015614560 [0,0,0,0,0,0|2,0,1]=3 18 B14R1.863 C#Cc1ccccc1OC[C@@H](O)CF 7a_200011470546_100015614560 [0,0,0,0,0,0|2,0,1]=3 19 B14R1.863 C#Cc1ccccc1OC[C@@H](O)CO 34a_200011470546_100009815848 [0,0,0,0,0,0|1,0,1]=2 20 B14R1.863 C#Cc1ccccc1OC[C@@H](O)CO 7a_200011470546_100009815848 [0,0,0,0,0,0|1,0,1]=2 21 B14R1.863 C=C(C#N)COc1ccccc1OC 34a_100000210385_100000694840 [0,0,0,0,0,0|2,0,2]=4 22 B14R1.863 C=CC(O)CNc1ccccc1CC 2230a_100000212081_100000730141 [0,0,0,0,0,0|3,0,1]=4 23 B14R1.863 C=CC(O)CNc1ccccc1CC 34a_100000212081_100000730141 [0,0,0,0,0,0|3,0,1]=4 24 B14R1.863 C=CC(O)CNc1ccccc1CC 7a_100000212081_100000730141 [0,0,0,0,0,0|3,0,1]=4 25 B14R1.863 C=CC(O)CNc1ccccc1OC 34a_100000210025_100000730141 [0,0,0,0,0,0|2,0,1]=3 26 B14R1.863 C=CC(O)CNc1ccccc1SC 34a_100000211160_100000730141 [0,0,0,0,0,0|2,1,1]=4 27 B14R1.863 C=CC(O)COc1ccccc1C#N 34a_100000211048_100000730141 [0,0,0,0,0,0|3,0,1]=4 28 B14R1.863 C=CC(O)COc1ccccc1C#N 7a_100000211048_100000730141 [0,0,0,0,0,0|3,0,1]=4 29 B14R1.863 C=CC(O)COc1ccccc1CC 34a_100000210936_100000730141 [0,0,0,0,0,0|2,0,1]=3 30 B14R1.863 C=CC(O)COc1ccccc1CC 7a_100000210936_100000730141 [0,0,0,0,0,0|2,0,1]=3 31 B14R1.863 C=CC(O)COc1ccccc1CN 34a_100000185550_100000730141 [0,0,0,0,0,0|3,0,1]=4 32 B14R1.863 C=CC(O)COc1ccccc1CO 34a_100011216872_100000730141 [0,0,0,0,0,0|3,0,1]=4 33 B14R1.863 C=CC(O)COc1ccccc1NC 34a_100000033821_100000730141 [0,0,0,0,0,0|2,0,1]=3 34 B14R1.863 C=CC(O)COc1ccccc1OC 34a_100000210385_100000730141 [0,0,0,0,0,0|1,0,1]=2 35 B14R1.863 C=CC(O)COc1ccccc1SC 34a_100011216402_100000730141 [0,0,0,0,0,0|1,1,1]=3 36 B14R1.863 C=CC(O)COc1cccnc1OC 34a_100000698397_100000730141 [0,0,0,0,0,0|2,0,1]=3 37 B14R1.863 C=CC(O)COc1cccnc1OC 7a_100000698397_100000730141 [0,0,0,0,0,0|2,0,1]=3 38 B14R1.863 C=CC(O)COc1cnccc1OC 34a_100000101186_100000730141 [0,0,0,0,0,0|2,0,1]=3 39 B14R1.863 C=CC(O)COc1ncccc1OC 34a_100025773188_100000730141 [0,0,0,0,0,0|2,0,1]=3 40 B14R1.863 C=CC(O)CSc1ccccc1CC 62a_100000730141_100011215823 [0,0,0,0,0,0|2,1,1]=4 41 B14R1.863 C=CC(O)CSc1ccccc1CC 62a_100011215823_100000730141 [0,0,0,0,0,0|2,1,1]=4 42 B14R1.863 C=CC(O)CSc1ccccc1NC 62a_100000730141_100020606079 [0,0,0,0,0,0|2,1,1]=4 43 B14R1.863 C=CC(O)CSc1ccccc1NC 62a_100020606079_100000730141 [0,0,0,0,0,0|2,1,1]=4 44 B14R1.863 C=CC(O)CSc1ccccc1OC 62a_100000210334_100000730141 [0,0,0,0,0,0|1,1,1]=3 45 B14R1.863 C=CC(O)CSc1ccccc1OC 62a_100000730141_100000210334 [0,0,0,0,0,0|1,1,1]=3 46 B14R1.863 C=CC(O)CSc1ccccc1SC 62a_100000730141_100011217816 [0,0,0,0,0,0|1,2,1]=4 47 B14R1.863 C=CC(O)CSc1ccccc1SC 62a_100011217816_100000730141 [0,0,0,0,0,0|1,2,1]=4 48 B14R1.863 C=CC(O)CSc1cccnc1OC 62a_100000047025_100000730141 [0,0,0,0,0,0|2,1,1]=4 49 B14R1.863 C=CC(O)CSc1cccnc1OC 62a_100000730141_100000047025 [0,0,0,0,0,0|2,1,1]=4 50 B14R1.863 C=CC(O)CSc1ccncc1OC 62a_100000730141_100016988167 [0,0,0,0,0,0|2,1,1]=4 51 B14R1.863 C=CC(O)CSc1ccncc1OC 62a_100016988167_100000730141 [0,0,0,0,0,0|2,1,1]=4 52 B14R1.863 C=CC(O)CSc1cnccc1OC 62a_100000730141_100011997281 [0,0,0,0,0,0|2,1,1]=4 53 B14R1.863 C=CC(O)CSc1cnccc1OC 62a_100011997281_100000730141 [0,0,0,0,0,0|2,1,1]=4 54 B14R1.863 C=CC(O)CSc1ncccc1OC 62a_100000730141_100000690851 [0,0,0,0,0,0|2,1,1]=4 55 B14R1.863 C=CC(O)CSc1ncccc1OC 62a_100000767102_100000730141 [0,0,0,0,0,0|2,1,1]=4 56 B14R1.863 C=Cc1ccccc1NCC(O)CC 34a_100012022501_100011218378 [0,0,0,0,0,0|3,0,1]=4 57 B14R1.863 C=Cc1ccccc1NCC(O)CO 34a_100012022501_100011219619 [0,0,0,0,0,0|2,0,1]=3 58 B14R1.863 C=Cc1ccccc1NC[C@@H](C)CO 34a_100012022501_100000059175 [0,0,0,0,0,0|3,0,1]=4 59 B14R1.863 C=Cc1ccccc1NC[C@@H](O)CF 34a_100012022501_100015614560 [0,0,0,0,0,0|3,0,1]=4 60 B14R1.863 C=Cc1ccccc1NC[C@@H](O)CO 34a_100012022501_100009815848 [0,0,0,0,0,0|2,0,1]=3 61 B14R1.863 C=Cc1ccccc1SCC(O)CC 62a_100011218376_100011218378 [0,0,0,0,0,0|2,1,1]=4 62 B14R1.863 C=Cc1ccccc1SCC(O)CC 62a_100011218378_100011218376 [0,0,0,0,0,0|2,1,1]=4 63 B14R1.863 C=Cc1ccccc1SCC(O)CO 62a_100011218376_100011219619 [0,0,0,0,0,0|1,1,1]=3 64 B14R1.863 C=Cc1ccccc1SCC(O)CO 62a_100011219619_100011218376 [0,0,0,0,0,0|1,1,1]=3 65 B14R1.863 C=Cc1ccccc1SC[C@@H](C)CO 62a_100000059175_100011218376 [0,0,0,0,0,0|2,1,1]=4 66 B14R1.863 C=Cc1ccccc1SC[C@@H](C)CO 62a_100011218376_100000059175 [0,0,0,0,0,0|2,1,1]=4 67 B14R1.863 C=Cc1ccccc1SC[C@@H](O)CF 62a_100011218376_100015614560 [0,0,0,0,0,0|2,1,1]=4 68 B14R1.863 C=Cc1ccccc1SC[C@@H](O)CF 62a_100015614560_100011218376 [0,0,0,0,0,0|2,1,1]=4 69 B14R1.863 C=Cc1ccccc1SC[C@@H](O)CO 62a_100009815848_100011218376 [0,0,0,0,0,0|1,1,1]=3 70 B14R1.863 C=Cc1ccccc1SC[C@@H](O)CO 62a_100011218376_100009815848 [0,0,0,0,0,0|1,1,1]=3 71 B14R1.863 CCC(=O)CCc1ccccc1OC 1458a_100000184355_100000210202 [0,0,0,0,0,0|2,0,2]=4 72 B14R1.863 CCC(=O)CCc1ccccc1OC 1458a_100000210414_100011713687 [0,0,0,0,0,0|2,0,2]=4 73 B14R1.863 CCC(=O)COc1ccccc1CC 1458a_100000182566_100000210202 [0,0,0,0,0,0|2,0,2]=4 74 B14R1.863 CCC(=O)COc1ccccc1CC 7a_100000210936_100000747405 [0,0,0,0,0,0|2,0,2]=4 75 B14R1.863 CCC(=O)COc1ccccc1OC 1458a_100000182946_100000210202 [0,0,0,0,0,0|1,0,2]=3 76 B14R1.863 CCC(=O)COc1cccnc1OC 7a_100000698397_100000747405 [0,0,0,0,0,0|2,0,2]=4 77 B14R1.863 CCC(=O)CSc1ccccc1OC 62a_100000210334_100000747405 [0,0,0,0,0,0|1,1,2]=4 78 B14R1.863 CCC(=O)CSc1ccccc1OC 62a_100000747405_100000210334 [0,0,0,0,0,0|1,1,2]=4 79 B14R1.863 CCC(C)CNc1ccccc1OC 34a_100000210025_100000748023 [0,0,0,0,0,0|3,0,0]=3 80 B14R1.863 CCC(C)CNc1ccccc1SC 34a_100000211160_100000748023 [0,0,0,0,0,0|3,1,0]=4 81 B14R1.863 CCC(C)COc1ccccc1C#N 34a_100000211048_100000748023 [0,0,0,0,0,0|4,0,0]=4 82 B14R1.863 CCC(C)COc1ccccc1C#N 7a_100000211048_100000748023 [0,0,0,0,0,0|4,0,0]=4 83 B14R1.863 CCC(C)COc1ccccc1CN 34a_100000185550_100000748023 [0,0,0,0,0,0|4,0,0]=4 84 B14R1.863 CCC(C)COc1ccccc1CO 34a_100011216872_100000748023 [0,0,0,0,0,0|4,0,0]=4 85 B14R1.863 CCC(C)COc1ccccc1NC 34a_100000033821_100000748023 [0,0,0,0,0,0|3,0,0]=3 86 B14R1.863 CCC(C)COc1ccccc1OC 34a_100000210385_100000748023 [0,0,0,0,0,0|2,0,0]=2 87 B14R1.863 CCC(C)COc1ccccc1SC 34a_100011216402_100000748023 [0,0,0,0,0,0|2,1,0]=3 88 B14R1.863 CCC(C)COc1cccnc1OC 34a_100000698397_100000748023 [0,0,0,0,0,0|3,0,0]=3 89 B14R1.863 CCC(C)COc1cccnc1OC 7a_100000698397_100000748023 [0,0,0,0,0,0|3,0,0]=3 90 B14R1.863 CCC(C)COc1cnccc1OC 34a_100000101186_100000748023 [0,0,0,0,0,0|3,0,0]=3 91 B14R1.863 CCC(C)COc1ncccc1OC 34a_100025773188_100000748023 [0,0,0,0,0,0|3,0,0]=3 92 B14R1.863 CCC(C)CSc1ccccc1NC 62a_100000748023_100020606079 [0,0,0,0,0,0|3,1,0]=4 93 B14R1.863 CCC(C)CSc1ccccc1NC 62a_100020606079_100000748023 [0,0,0,0,0,0|3,1,0]=4 94 B14R1.863 CCC(C)CSc1ccccc1OC 62a_100000210334_100000748023 [0,0,0,0,0,0|2,1,0]=3 95 B14R1.863 CCC(C)CSc1ccccc1OC 62a_100000748023_100000210334 [0,0,0,0,0,0|2,1,0]=3 96 B14R1.863 CCC(C)CSc1ccccc1SC 62a_100000748023_100011217816 [0,0,0,0,0,0|2,2,0]=4 97 B14R1.863 CCC(C)CSc1ccccc1SC 62a_100011217816_100000748023 [0,0,0,0,0,0|2,2,0]=4 98 B14R1.863 CCC(C)CSc1cccnc1OC 62a_100000047025_100000748023 [0,0,0,0,0,0|3,1,0]=4 99 B14R1.863 CCC(C)CSc1cccnc1OC 62a_100000748023_100000047025 [0,0,0,0,0,0|3,1,0]=4 100 B14R1.863 CCC(C)CSc1ccncc1OC 62a_100000748023_100016988167 [0,0,0,0,0,0|3,1,0]=4 101 B14R1.863 CCC(C)CSc1ccncc1OC 62a_100016988167_100000748023 [0,0,0,0,0,0|3,1,0]=4 102 B14R1.863 CCC(C)CSc1cnccc1OC 62a_100000748023_100011997281 [0,0,0,0,0,0|3,1,0]=4 103 B14R1.863 CCC(C)CSc1cnccc1OC 62a_100011997281_100000748023 [0,0,0,0,0,0|3,1,0]=4 104 B14R1.863 CCC(C)CSc1ncccc1OC 62a_100000748023_100000690851 [0,0,0,0,0,0|3,1,0]=4 105 B14R1.863 CCC(C)CSc1ncccc1OC 62a_100000767102_100000748023 [0,0,0,0,0,0|3,1,0]=4 106 B14R1.863 CCC(C)NCc1ccccc1OC 207a_100000209981_100000169842 [0,0,0,0,0,0|4,0,0]=4 107 B14R1.863 CCC(C)NCc1ccccc1OC 2230a_100000209981_100000210004 [0,0,0,0,0,0|4,0,0]=4 108 B14R1.863 CCC(C)NCc1ccccc1OC 270004a_100000209981_100000169842 [0,0,0,0,0,0|4,0,0]=4 109 B14R1.863 CCC(C)NCc1ccccc1OC 34a_100000188900_100011215416 [0,0,0,0,0,0|4,0,0]=4 110 B14R1.863 CCC(C)OCc1ccccc1OC 34a_100000211301_100011215416 [0,0,0,0,0,0|4,0,0]=4 111 B14R1.863 CCC(C)OCc1ccccc1OC 7a_100000210228_100000210004 [0,0,0,0,0,0|4,0,0]=4 112 B14R1.863 CCC(C)SCc1ccccc1OC 62a_100000210004_100000758301 [0,0,0,0,0,0|4,0,0]=4 113 B14R1.863 CCC(C)SCc1ccccc1OC 62a_100000758301_100000210004 [0,0,0,0,0,0|4,0,0]=4 114 B14R1.863 CCC(O)CNc1ccccc1C#N 34a_100000211148_100011218378 [0,0,0,0,0,0|4,0,0]=4 115 B14R1.863 CCC(O)CNc1ccccc1CO 34a_100000212039_100011218378 [0,0,0,0,0,0|4,0,0]=4 116 B14R1.863 CCC(O)CNc1ccccc1OC 34a_100000210025_100011218378 [0,0,0,0,0,0|2,0,0]=2 117 B14R1.863 CCC(O)CNc1ccccc1SC 34a_100000211160_100011218378 [0,0,0,0,0,0|2,1,0]=3 118 B14R1.863 CCC(O)CNc1nccnc1OC 27a_100011218483_100009858322 [0,0,0,0,0,0|4,0,0]=4 119 B14R1.863 CCC(O)CNc1ncncc1OC 27a_100011218483_100012001275 [0,0,0,0,0,0|4,0,0]=4 120 B14R1.863 CCC(O)COc1ccccc1C#N 34a_100000211048_100011218378 [0,0,0,0,0,0|3,0,0]=3 121 B14R1.863 CCC(O)COc1ccccc1C#N 7a_100000211048_100011218378 [0,0,0,0,0,0|3,0,0]=3 122 B14R1.863 CCC(O)COc1ccccc1CN 34a_100000185550_100011218378 [0,0,0,0,0,0|3,0,0]=3 123 B14R1.863 CCC(O)COc1ccccc1CO 34a_100011216872_100011218378 [0,0,0,0,0,0|3,0,0]=3 124 B14R1.863 CCC(O)COc1ccccc1NC 34a_100000033821_100011218378 [0,0,0,0,0,0|2,0,0]=2 125 B14R1.863 CCC(O)COc1ccccc1OC 34a_100000210385_100011218378 [0,0,0,0,0,0|1,0,0]=1 126 B14R1.863 CCC(O)COc1ccccc1SC 34a_100011216402_100011218378 [0,0,0,0,0,0|1,1,0]=2 127 B14R1.863 CCC(O)COc1cccnc1C#N 34a_100000722750_100011218378 [0,0,0,0,0,0|4,0,0]=4 128 B14R1.863 CCC(O)COc1cccnc1C#N 7a_100000722750_100011218378 [0,0,0,0,0,0|4,0,0]=4 129 B14R1.863 CCC(O)COc1cccnc1CBr 34a_200020655725_100011218378 [0,0,0,0,0,0|4,0,0]=4 130 B14R1.863 CCC(O)COc1cccnc1CBr 7a_200020655725_100011218378 [0,0,0,0,0,0|4,0,0]=4 131 B14R1.863 CCC(O)COc1cccnc1CO 34a_100000731849_100011218378 [0,0,0,0,0,0|4,0,0]=4 132 B14R1.863 CCC(O)COc1cccnc1OC 34a_100000698397_100011218378 [0,0,0,0,0,0|2,0,0]=2 133 B14R1.863 CCC(O)COc1cccnc1OC 7a_100000698397_100011218378 [0,0,0,0,0,0|2,0,0]=2 134 B14R1.863 CCC(O)COc1cnccc1C#N 7a_100012181322_100011218378 [0,0,0,0,0,0|4,0,0]=4 135 B14R1.863 CCC(O)COc1cnccc1CO 34a_100000078615_100011218378 [0,0,0,0,0,0|4,0,0]=4 136 B14R1.863 CCC(O)COc1cnccc1OC 34a_100000101186_100011218378 [0,0,0,0,0,0|2,0,0]=2 137 B14R1.863 CCC(O)COc1ncccc1OC 34a_100025773188_100011218378 [0,0,0,0,0,0|2,0,0]=2 138 B14R1.863 CCC(O)CSc1ccccc1C#N 62a_100011218378_100000188569 [0,0,0,0,0,0|3,1,0]=4 139 B14R1.863 CCC(O)CSc1ccccc1C=O 62a_100000210073_100011218378 [0,0,0,0,0,0|3,1,0]=4 140 B14R1.863 CCC(O)CSc1ccccc1C=O 62a_100011218378_100000210073 [0,0,0,0,0,0|3,1,0]=4 141 B14R1.863 CCC(O)CSc1ccccc1CN 62a_100000689332_100011218378 [0,0,0,0,0,0|3,1,0]=4 142 B14R1.863 CCC(O)CSc1ccccc1CN 62a_100011218378_100000689332 [0,0,0,0,0,0|3,1,0]=4 143 B14R1.863 CCC(O)CSc1ccccc1CO 62a_100000187465_100011218378 [0,0,0,0,0,0|3,1,0]=4 144 B14R1.863 CCC(O)CSc1ccccc1CO 62a_100011218378_100000187465 [0,0,0,0,0,0|3,1,0]=4 145 B14R1.863 CCC(O)CSc1ccccc1NC 62a_100011218378_100020606079 [0,0,0,0,0,0|2,1,0]=3 146 B14R1.863 CCC(O)CSc1ccccc1NC 62a_100020606079_100011218378 [0,0,0,0,0,0|2,1,0]=3 147 B14R1.863 CCC(O)CSc1ccccc1NN 62a_100000241748_100011218378 [0,0,0,0,0,0|3,1,0]=4 148 B14R1.863 CCC(O)CSc1ccccc1NN 62a_100011218378_100000241748 [0,0,0,0,0,0|3,1,0]=4 149 B14R1.863 CCC(O)CSc1ccccc1OC 62a_100000210334_100011218378 [0,0,0,0,0,0|1,1,0]=2 150 B14R1.863 CCC(O)CSc1ccccc1OC 62a_100011218378_100000210334 [0,0,0,0,0,0|1,1,0]=2 151 B14R1.863 CCC(O)CSc1ccccc1SC 62a_100011217816_100011218378 [0,0,0,0,0,0|1,2,0]=3 152 B14R1.863 CCC(O)CSc1ccccc1SC 62a_100011218378_100011217816 [0,0,0,0,0,0|1,2,0]=3 153 B14R1.863 CCC(O)CSc1cccnc1NC 62a_100000700899_100011218378 [0,0,0,0,0,0|3,1,0]=4 154 B14R1.863 CCC(O)CSc1cccnc1NC 62a_100011218378_100000700899 [0,0,0,0,0,0|3,1,0]=4 155 B14R1.863 CCC(O)CSc1cccnc1OC 62a_100000047025_100011218378 [0,0,0,0,0,0|2,1,0]=3 156 B14R1.863 CCC(O)CSc1cccnc1OC 62a_100011218378_100000047025 [0,0,0,0,0,0|2,1,0]=3 157 B14R1.863 CCC(O)CSc1cccnc1SC 62a_100011218378_100011465278 [0,0,0,0,0,0|2,2,0]=4 158 B14R1.863 CCC(O)CSc1cccnc1SC 62a_100011465278_100011218378 [0,0,0,0,0,0|2,2,0]=4 159 B14R1.863 CCC(O)CSc1ccncc1OC 62a_100011218378_100016988167 [0,0,0,0,0,0|2,1,0]=3 160 B14R1.863 CCC(O)CSc1ccncc1OC 62a_100016988167_100011218378 [0,0,0,0,0,0|2,1,0]=3 161 B14R1.863 CCC(O)CSc1cnccc1NC 62a_100010069531_100011218378 [0,0,0,0,0,0|3,1,0]=4 162 B14R1.863 CCC(O)CSc1cnccc1NC 62a_100011218378_100010069531 [0,0,0,0,0,0|3,1,0]=4 163 B14R1.863 CCC(O)CSc1cnccc1OC 62a_100011218378_100011997281 [0,0,0,0,0,0|2,1,0]=3 164 B14R1.863 CCC(O)CSc1cnccc1OC 62a_100011997281_100011218378 [0,0,0,0,0,0|2,1,0]=3 165 B14R1.863 CCC(O)CSc1cncnc1OC 62a_100000719902_100011218378 [0,0,0,0,0,0|3,1,0]=4 166 B14R1.863 CCC(O)CSc1cncnc1OC 62a_100011218378_100000719902 [0,0,0,0,0,0|3,1,0]=4 167 B14R1.863 CCC(O)CSc1ncccc1NC 62a_100011218378_200011806188 [0,0,0,0,0,0|3,1,0]=4 168 B14R1.863 CCC(O)CSc1ncccc1OC 62a_100000767102_100011218378 [0,0,0,0,0,0|2,1,0]=3 169 B14R1.863 CCC(O)CSc1ncccc1OC 62a_100011218378_100000690851 [0,0,0,0,0,0|2,1,0]=3 170 B14R1.863 CCC(O)CSc1nccnc1OC 62a_100009858322_100011218378 [0,0,0,0,0,0|3,1,0]=4 171 B14R1.863 CCC(O)CSc1nccnc1OC 62a_100011218378_100000749998 [0,0,0,0,0,0|3,1,0]=4 172 B14R1.863 CCC(O)CSc1ncncc1OC 62a_100011218378_100012001275 [0,0,0,0,0,0|3,1,0]=4 173 B14R1.863 CCC(O)CSc1ncncc1OC 62a_100012001275_100011218378 [0,0,0,0,0,0|3,1,0]=4 174 B14R1.863 CCN(C)CCc1ccccc1OC 2230a_100000225621_100011713687 [0,0,0,0,0,0|4,0,0]=4 175 B14R1.863 CCN(C)CCc1ccccc1OC 2230a_100000231131_100000210202 [0,0,0,0,0,0|4,0,0]=4 176 B14R1.863 CCN(C)CCc1ccccc1OC 269982a_100000225621_100011713687 [0,0,0,0,0,0|4,0,0]=4 177 B14R1.863 CCN(C)CCc1ccccc1OC 269982a_100000231131_100000204670 [0,0,0,0,0,0|4,0,0]=4 178 B14R1.863 CC[C@H](C)CNc1ccccc1OC 34a_100000210025_100009816398 [0,0,0,0,0,0|3,0,0]=3 179 B14R1.863 CC[C@H](C)CNc1ccccc1SC 34a_100000211160_100009816398 [0,0,0,0,0,0|3,1,0]=4 180 B14R1.863 CC[C@H](C)COc1ccccc1C#N 34a_100000211048_100009816398 [0,0,0,0,0,0|4,0,0]=4 181 B14R1.863 CC[C@H](C)COc1ccccc1C#N 7a_100000211048_100009816398 [0,0,0,0,0,0|4,0,0]=4 182 B14R1.863 CC[C@H](C)COc1ccccc1CN 34a_100000185550_100009816398 [0,0,0,0,0,0|4,0,0]=4 183 B14R1.863 CC[C@H](C)COc1ccccc1CO 34a_100011216872_100009816398 [0,0,0,0,0,0|4,0,0]=4 184 B14R1.863 CC[C@H](C)COc1ccccc1NC 34a_100000033821_100009816398 [0,0,0,0,0,0|3,0,0]=3 185 B14R1.863 CC[C@H](C)COc1ccccc1OC 34a_100000210385_100009816398 [0,0,0,0,0,0|2,0,0]=2 186 B14R1.863 CC[C@H](C)COc1ccccc1SC 34a_100011216402_100009816398 [0,0,0,0,0,0|2,1,0]=3 187 B14R1.863 CC[C@H](C)COc1cccnc1OC 34a_100000698397_100009816398 [0,0,0,0,0,0|3,0,0]=3 188 B14R1.863 CC[C@H](C)COc1cccnc1OC 7a_100000698397_100009816398 [0,0,0,0,0,0|3,0,0]=3 189 B14R1.863 CC[C@H](C)COc1cnccc1OC 34a_100000101186_100009816398 [0,0,0,0,0,0|3,0,0]=3 190 B14R1.863 CC[C@H](C)COc1ncccc1OC 34a_100025773188_100009816398 [0,0,0,0,0,0|3,0,0]=3 191 B14R1.863 CC[C@H](C)CSc1ccccc1NC 62a_100009816398_100020606079 [0,0,0,0,0,0|3,1,0]=4 192 B14R1.863 CC[C@H](C)CSc1ccccc1NC 62a_100020606079_100009816398 [0,0,0,0,0,0|3,1,0]=4 193 B14R1.863 CC[C@H](C)CSc1ccccc1OC 62a_100000210334_100009816398 [0,0,0,0,0,0|2,1,0]=3 194 B14R1.863 CC[C@H](C)CSc1ccccc1OC 62a_100009816398_100000210334 [0,0,0,0,0,0|2,1,0]=3 195 B14R1.863 CC[C@H](C)CSc1ccccc1SC 62a_100009816398_100011217816 [0,0,0,0,0,0|2,2,0]=4 196 B14R1.863 CC[C@H](C)CSc1ccccc1SC 62a_100011217816_100009816398 [0,0,0,0,0,0|2,2,0]=4 197 B14R1.863 CC[C@H](C)CSc1cccnc1OC 62a_100000047025_100009816398 [0,0,0,0,0,0|3,1,0]=4 198 B14R1.863 CC[C@H](C)CSc1cccnc1OC 62a_100009816398_100000047025 [0,0,0,0,0,0|3,1,0]=4 199 B14R1.863 CC[C@H](C)CSc1ccncc1OC 62a_100009816398_100016988167 [0,0,0,0,0,0|3,1,0]=4 200 B14R1.863 CC[C@H](C)CSc1ccncc1OC 62a_100016988167_100009816398 [0,0,0,0,0,0|3,1,0]=4 201 B14R1.863 CC[C@H](C)CSc1cnccc1OC 62a_100009816398_100011997281 [0,0,0,0,0,0|3,1,0]=4 202 B14R1.863 CC[C@H](C)CSc1cnccc1OC 62a_100011997281_100009816398 [0,0,0,0,0,0|3,1,0]=4 203 B14R1.863 CC[C@H](C)CSc1ncccc1OC 62a_100000767102_100009816398 [0,0,0,0,0,0|3,1,0]=4 204 B14R1.863 CC[C@H](C)CSc1ncccc1OC 62a_100009816398_100000690851 [0,0,0,0,0,0|3,1,0]=4 205 B14R1.863 CCc1ccccc1CN[C@H](C)CO 207a_100000737577_100011219594 [0,0,0,0,0,0|4,0,0]=4 206 B14R1.863 CCc1ccccc1CN[C@H](C)CO 270004a_100000737577_100011219594 [0,0,0,0,0,0|4,0,0]=4 207 B14R1.863 CCc1ccccc1COC(C)CO 34a_100011663872_100012180447 [0,0,0,0,0,0|4,0,0]=4 208 B14R1.863 CCc1ccccc1COC(C)CO 7a_100011663872_100012180447 [0,0,0,0,0,0|4,0,0]=4 209 B14R1.863 CCc1ccccc1NCC(C)CC 2230a_100000212081_100000748023 [0,0,0,0,0,0|4,0,0]=4 210 B14R1.863 CCc1ccccc1NCC(C)CC 34a_100000212081_100000748023 [0,0,0,0,0,0|4,0,0]=4 211 B14R1.863 CCc1ccccc1NCC(C)CC 7a_100000212081_100000748023 [0,0,0,0,0,0|4,0,0]=4 212 B14R1.863 CCc1ccccc1NCC(O)CC 2230a_100000212081_100011218378 [0,0,0,0,0,0|3,0,0]=3 213 B14R1.863 CCc1ccccc1NCC(O)CC 34a_100000212081_100011218378 [0,0,0,0,0,0|3,0,0]=3 214 B14R1.863 CCc1ccccc1NCC(O)CC 7a_100000212081_100011218378 [0,0,0,0,0,0|3,0,0]=3 215 B14R1.863 CCc1ccccc1NCC(O)CO 2230a_100000212081_100011219619 [0,0,0,0,0,0|2,0,0]=2 216 B14R1.863 CCc1ccccc1NCC(O)CO 34a_100000212081_100011219619 [0,0,0,0,0,0|2,0,0]=2 217 B14R1.863 CCc1ccccc1NCC(O)CO 7a_100000212081_100011219619 [0,0,0,0,0,0|2,0,0]=2 218 B14R1.863 CCc1ccccc1NC[C@@H](C)CC 2230a_100000212081_100009816398 [0,0,0,0,0,0|4,0,0]=4 219 B14R1.863 CCc1ccccc1NC[C@@H](C)CC 34a_100000212081_100009816398 [0,0,0,0,0,0|4,0,0]=4 220 B14R1.863 CCc1ccccc1NC[C@@H](C)CC 7a_100000212081_100009816398 [0,0,0,0,0,0|4,0,0]=4 221 B14R1.863 CCc1ccccc1NC[C@@H](C)CO 2230a_100000212081_100000059175 [0,0,0,0,0,0|3,0,0]=3 222 B14R1.863 CCc1ccccc1NC[C@@H](C)CO 34a_100000212081_100000059175 [0,0,0,0,0,0|3,0,0]=3 223 B14R1.863 CCc1ccccc1NC[C@@H](C)CO 7a_100000212081_100000059175 [0,0,0,0,0,0|3,0,0]=3 224 B14R1.863 CCc1ccccc1NC[C@@H](O)CF 2230a_100000212081_100015614560 [0,0,0,0,0,0|3,0,0]=3 225 B14R1.863 CCc1ccccc1NC[C@@H](O)CF 34a_100000212081_100015614560 [0,0,0,0,0,0|3,0,0]=3 226 B14R1.863 CCc1ccccc1NC[C@@H](O)CF 7a_100000212081_100015614560 [0,0,0,0,0,0|3,0,0]=3 227 B14R1.863 CCc1ccccc1NC[C@@H](O)CO 2230a_100000212081_100009815848 [0,0,0,0,0,0|2,0,0]=2 228 B14R1.863 CCc1ccccc1NC[C@@H](O)CO 34a_100000212081_100009815848 [0,0,0,0,0,0|2,0,0]=2 229 B14R1.863 CCc1ccccc1NC[C@@H](O)CO 7a_100000212081_100009815848 [0,0,0,0,0,0|2,0,0]=2 230 B14R1.863 CCc1ccccc1OCC(=O)CF 1458a_100000182566_100015361967 [0,0,0,0,0,0|2,0,2]=4 231 B14R1.863 CCc1ccccc1OCC(C)CC 34a_100000210936_100000748023 [0,0,0,0,0,0|3,0,0]=3 232 B14R1.863 CCc1ccccc1OCC(C)CC 7a_100000210936_100000748023 [0,0,0,0,0,0|3,0,0]=3 233 B14R1.863 CCc1ccccc1OCC(O)CC 34a_100000210936_100011218378 [0,0,0,0,0,0|2,0,0]=2 234 B14R1.863 CCc1ccccc1OCC(O)CC 7a_100000210936_100011218378 [0,0,0,0,0,0|2,0,0]=2 235 B14R1.863 CCc1ccccc1OCC(O)CO 34a_100000210936_100011219619 [0,0,0,0,0,0|1,0,0]=1 236 B14R1.863 CCc1ccccc1OCC(O)CO 7a_100000210936_100011219619 [0,0,0,0,0,0|1,0,0]=1 237 B14R1.863 CCc1ccccc1OC[C@@H](C)CC 34a_100000210936_100009816398 [0,0,0,0,0,0|3,0,0]=3 238 B14R1.863 CCc1ccccc1OC[C@@H](C)CC 7a_100000210936_100009816398 [0,0,0,0,0,0|3,0,0]=3 239 B14R1.863 CCc1ccccc1OC[C@@H](C)CO 34a_100000210936_100000059175 [0,0,0,0,0,0|2,0,0]=2 240 B14R1.863 CCc1ccccc1OC[C@@H](C)CO 7a_100000210936_100000059175 [0,0,0,0,0,0|2,0,0]=2 241 B14R1.863 CCc1ccccc1OC[C@@H](O)CF 34a_100000210936_100015614560 [0,0,0,0,0,0|2,0,0]=2 242 B14R1.863 CCc1ccccc1OC[C@@H](O)CF 7a_100000210936_100015614560 [0,0,0,0,0,0|2,0,0]=2 243 B14R1.863 CCc1ccccc1OC[C@@H](O)CO 34a_100000210936_100009815848 [0,0,0,0,0,0|1,0,0]=1 244 B14R1.863 CCc1ccccc1OC[C@@H](O)CO 7a_100000210936_100009815848 [0,0,0,0,0,0|1,0,0]=1 245 B14R1.863 CCc1ccccc1SCC(C)CC 62a_100000748023_100011215823 [0,0,0,0,0,0|3,1,0]=4 246 B14R1.863 CCc1ccccc1SCC(C)CC 62a_100011215823_100000748023 [0,0,0,0,0,0|3,1,0]=4 247 B14R1.863 CCc1ccccc1SCC(O)CC 62a_100011215823_100011218378 [0,0,0,0,0,0|2,1,0]=3 248 B14R1.863 CCc1ccccc1SCC(O)CC 62a_100011218378_100011215823 [0,0,0,0,0,0|2,1,0]=3 249 B14R1.863 CCc1ccccc1SCC(O)CO 62a_100011215823_100011219619 [0,0,0,0,0,0|1,1,0]=2 250 B14R1.863 CCc1ccccc1SCC(O)CO 62a_100011219619_100011215823 [0,0,0,0,0,0|1,1,0]=2 251 B14R1.863 CCc1ccccc1SC[C@@H](C)CC 62a_100009816398_100011215823 [0,0,0,0,0,0|3,1,0]=4 252 B14R1.863 CCc1ccccc1SC[C@@H](C)CC 62a_100011215823_100009816398 [0,0,0,0,0,0|3,1,0]=4 253 B14R1.863 CCc1ccccc1SC[C@@H](C)CO 62a_100000059175_100011215823 [0,0,0,0,0,0|2,1,0]=3 254 B14R1.863 CCc1ccccc1SC[C@@H](C)CO 62a_100011215823_100000059175 [0,0,0,0,0,0|2,1,0]=3 255 B14R1.863 CCc1ccccc1SC[C@@H](O)CF 62a_100011215823_100015614560 [0,0,0,0,0,0|2,1,0]=3 256 B14R1.863 CCc1ccccc1SC[C@@H](O)CF 62a_100015614560_100011215823 [0,0,0,0,0,0|2,1,0]=3 257 B14R1.863 CCc1ccccc1SC[C@@H](O)CO 62a_100009815848_100011215823 [0,0,0,0,0,0|1,1,0]=2 258 B14R1.863 CCc1ccccc1SC[C@@H](O)CO 62a_100011215823_100009815848 [0,0,0,0,0,0|1,1,0]=2 259 B14R1.863 CCc1ccncc1SCC(O)CC 62a_100009819861_100011218378 [0,0,0,0,0,0|3,1,0]=4 260 B14R1.863 CCc1ccncc1SCC(O)CC 62a_100011218378_100009819861 [0,0,0,0,0,0|3,1,0]=4 261 B14R1.863 CCc1ccncc1SCC(O)CO 62a_100009819861_100011219619 [0,0,0,0,0,0|2,1,0]=3 262 B14R1.863 CCc1ccncc1SCC(O)CO 62a_100011219619_100009819861 [0,0,0,0,0,0|2,1,0]=3 263 B14R1.863 CCc1ccncc1SC[C@@H](C)CO 62a_100000059175_100009819861 [0,0,0,0,0,0|3,1,0]=4 264 B14R1.863 CCc1ccncc1SC[C@@H](C)CO 62a_100009819861_100000059175 [0,0,0,0,0,0|3,1,0]=4 265 B14R1.863 CCc1ccncc1SC[C@@H](O)CF 62a_100009819861_100015614560 [0,0,0,0,0,0|3,1,0]=4 266 B14R1.863 CCc1ccncc1SC[C@@H](O)CF 62a_100015614560_100009819861 [0,0,0,0,0,0|3,1,0]=4 267 B14R1.863 CCc1ccncc1SC[C@@H](O)CO 62a_100009815848_100009819861 [0,0,0,0,0,0|2,1,0]=3 268 B14R1.863 CCc1ccncc1SC[C@@H](O)CO 62a_100009819861_100009815848 [0,0,0,0,0,0|2,1,0]=3 269 B14R1.863 CCc1cnccc1SCC(O)CC 62a_100011218378_100025704421 [0,0,0,0,0,0|3,1,0]=4 270 B14R1.863 CCc1cnccc1SCC(O)CC 62a_100025704421_100011218378 [0,0,0,0,0,0|3,1,0]=4 271 B14R1.863 CCc1cnccc1SCC(O)CO 62a_100011219619_100025704421 [0,0,0,0,0,0|2,1,0]=3 272 B14R1.863 CCc1cnccc1SCC(O)CO 62a_100025704421_100011219619 [0,0,0,0,0,0|2,1,0]=3 273 B14R1.863 CCc1cnccc1SC[C@@H](C)CO 62a_100000059175_100025704421 [0,0,0,0,0,0|3,1,0]=4 274 B14R1.863 CCc1cnccc1SC[C@@H](C)CO 62a_100025704421_100000059175 [0,0,0,0,0,0|3,1,0]=4 275 B14R1.863 CCc1cnccc1SC[C@@H](O)CF 62a_100015614560_100025704421 [0,0,0,0,0,0|3,1,0]=4 276 B14R1.863 CCc1cnccc1SC[C@@H](O)CF 62a_100025704421_100015614560 [0,0,0,0,0,0|3,1,0]=4 277 B14R1.863 CCc1cnccc1SC[C@@H](O)CO 62a_100009815848_100025704421 [0,0,0,0,0,0|2,1,0]=3 278 B14R1.863 CCc1cnccc1SC[C@@H](O)CO 62a_100025704421_100009815848 [0,0,0,0,0,0|2,1,0]=3 279 B14R1.863 CCc1cncnc1NC[C@H](O)CO 27a_100020644852_200000100055 [0,0,0,0,0,0|4,0,0]=4 280 B14R1.863 CCc1cncnc1SCC(O)CO 62a_100011219619_200000100055 [0,0,0,0,0,0|3,1,0]=4 281 B14R1.863 CCc1cncnc1SCC(O)CO 62a_200000100055_100011219619 [0,0,0,0,0,0|3,1,0]=4 282 B14R1.863 CCc1cncnc1SC[C@@H](O)CO 62a_100009815848_200000100055 [0,0,0,0,0,0|3,1,0]=4 283 B14R1.863 CCc1cncnc1SC[C@@H](O)CO 62a_200000100055_100009815848 [0,0,0,0,0,0|3,1,0]=4 284 B14R1.863 CCc1ncccc1SCC(O)CC 62a_100009877225_100011218378 [0,0,0,0,0,0|3,1,0]=4 285 B14R1.863 CCc1ncccc1SCC(O)CC 62a_100011218378_100009877225 [0,0,0,0,0,0|3,1,0]=4 286 B14R1.863 CCc1ncccc1SCC(O)CO 62a_100009877225_100011219619 [0,0,0,0,0,0|2,1,0]=3 287 B14R1.863 CCc1ncccc1SCC(O)CO 62a_100011219619_100009877225 [0,0,0,0,0,0|2,1,0]=3 288 B14R1.863 CCc1ncccc1SC[C@@H](C)CO 62a_100000059175_100009877225 [0,0,0,0,0,0|3,1,0]=4 289 B14R1.863 CCc1ncccc1SC[C@@H](C)CO 62a_100009877225_100000059175 [0,0,0,0,0,0|3,1,0]=4 290 B14R1.863 CCc1ncccc1SC[C@@H](O)CF 62a_100009877225_100015614560 [0,0,0,0,0,0|3,1,0]=4 291 B14R1.863 CCc1ncccc1SC[C@@H](O)CF 62a_100015614560_100009877225 [0,0,0,0,0,0|3,1,0]=4 292 B14R1.863 CCc1ncccc1SC[C@@H](O)CO 62a_100009815848_100009877225 [0,0,0,0,0,0|2,1,0]=3 293 B14R1.863 CCc1ncccc1SC[C@@H](O)CO 62a_100009877225_100009815848 [0,0,0,0,0,0|2,1,0]=3 294 B14R1.863 CCc1nccnc1NC[C@H](O)CO 27a_100020644852_100011995844 [0,0,0,0,0,0|4,0,0]=4 295 B14R1.863 CCc1nccnc1SCC(O)CO 62a_100011219619_100011995844 [0,0,0,0,0,0|3,1,0]=4 296 B14R1.863 CCc1nccnc1SCC(O)CO 62a_100011995844_100011219619 [0,0,0,0,0,0|3,1,0]=4 297 B14R1.863 CCc1nccnc1SC[C@@H](O)CO 62a_100009815848_100011995844 [0,0,0,0,0,0|3,1,0]=4 298 B14R1.863 CCc1nccnc1SC[C@@H](O)CO 62a_100011995844_100009815848 [0,0,0,0,0,0|3,1,0]=4 299 B14R1.863 CCc1ncncc1NC[C@H](O)CO 27a_100020644852_100009816992 [0,0,0,0,0,0|4,0,0]=4 300 B14R1.863 CCc1ncncc1SCC(O)CO 62a_100009816992_100011219619 [0,0,0,0,0,0|3,1,0]=4 301 B14R1.863 CCc1ncncc1SCC(O)CO 62a_100011219619_100009816992 [0,0,0,0,0,0|3,1,0]=4 302 B14R1.863 CCc1ncncc1SC[C@@H](O)CO 62a_100009815848_100009816992 [0,0,0,0,0,0|3,1,0]=4 303 B14R1.863 CCc1ncncc1SC[C@@H](O)CO 62a_100009816992_100009815848 [0,0,0,0,0,0|3,1,0]=4 304 B14R1.863 CNC(=O)COc1ccccc1OC 11a_106832991635_100000182946 [0,0,0,0,0,0|2,0,2]=4 305 B14R1.863 CNC(=O)COc1ccccc1OC 1626a_100102657272_100000182946 [0,0,0,0,0,0|2,0,2]=4 306 B14R1.863 CNC(=O)COc1ccccc1OC 240690a_100102657272_100000182946 [0,0,0,0,0,0|2,0,2]=4 307 B14R1.863 CNC(=O)COc1ccccc1OC 34a_100000210385_100000183359 [0,0,0,0,0,0|2,0,2]=4 308 B14R1.863 CNC(=O)COc1ccccc1OC 527a_100102657272_100000182946 [0,0,0,0,0,0|2,0,2]=4 309 B14R1.863 CNC(C)COc1ccccc1OC 2230a_100000743626_200000210301 [0,0,0,0,0,0|3,0,0]=3 310 B14R1.863 CNc1ccccc1OCC(O)CO 34a_100000033821_100011219619 [0,0,0,0,0,0|1,0,0]=1 311 B14R1.863 CNc1ccccc1OC[C@@H](C)CO 34a_100000033821_100000059175 [0,0,0,0,0,0|2,0,0]=2 312 B14R1.863 CNc1ccccc1OC[C@@H](O)CF 34a_100000033821_100015614560 [0,0,0,0,0,0|2,0,0]=2 313 B14R1.863 CNc1ccccc1OC[C@@H](O)CO 34a_100000033821_100009815848 [0,0,0,0,0,0|1,0,0]=1 314 B14R1.863 CNc1ccccc1SCC(O)CO 62a_100011219619_100020606079 [0,0,0,0,0,0|1,1,0]=2 315 B14R1.863 CNc1ccccc1SCC(O)CO 62a_100020606079_100011219619 [0,0,0,0,0,0|1,1,0]=2 316 B14R1.863 CNc1ccccc1SC[C@@H](C)CO 62a_100000059175_100020606079 [0,0,0,0,0,0|2,1,0]=3 317 B14R1.863 CNc1ccccc1SC[C@@H](C)CO 62a_100020606079_100000059175 [0,0,0,0,0,0|2,1,0]=3 318 B14R1.863 CNc1ccccc1SC[C@@H](O)CF 62a_100015614560_100020606079 [0,0,0,0,0,0|2,1,0]=3 319 B14R1.863 CNc1ccccc1SC[C@@H](O)CF 62a_100020606079_100015614560 [0,0,0,0,0,0|2,1,0]=3 320 B14R1.863 CNc1ccccc1SC[C@@H](O)CO 62a_100009815848_100020606079 [0,0,0,0,0,0|1,1,0]=2 321 B14R1.863 CNc1ccccc1SC[C@@H](O)CO 62a_100020606079_100009815848 [0,0,0,0,0,0|1,1,0]=2 322 B14R1.863 CNc1cccnc1SCC(O)CO 62a_100011219619_200011806188 [0,0,0,0,0,0|2,1,0]=3 323 B14R1.863 CNc1cccnc1SC[C@@H](C)CO 62a_100000059175_200011806188 [0,0,0,0,0,0|3,1,0]=4 324 B14R1.863 CNc1cccnc1SC[C@@H](O)CF 62a_100015614560_200011806188 [0,0,0,0,0,0|3,1,0]=4 325 B14R1.863 CNc1cccnc1SC[C@@H](O)CO 62a_100009815848_200011806188 [0,0,0,0,0,0|2,1,0]=3 326 B14R1.863 CNc1ccncc1SCC(O)CO 62a_100010069531_100011219619 [0,0,0,0,0,0|2,1,0]=3 327 B14R1.863 CNc1ccncc1SCC(O)CO 62a_100011219619_100010069531 [0,0,0,0,0,0|2,1,0]=3 328 B14R1.863 CNc1ccncc1SC[C@@H](C)CO 62a_100000059175_100010069531 [0,0,0,0,0,0|3,1,0]=4 329 B14R1.863 CNc1ccncc1SC[C@@H](C)CO 62a_100010069531_100000059175 [0,0,0,0,0,0|3,1,0]=4 330 B14R1.863 CNc1ccncc1SC[C@@H](O)CF 62a_100010069531_100015614560 [0,0,0,0,0,0|3,1,0]=4 331 B14R1.863 CNc1ccncc1SC[C@@H](O)CF 62a_100015614560_100010069531 [0,0,0,0,0,0|3,1,0]=4 332 B14R1.863 CNc1ccncc1SC[C@@H](O)CO 62a_100009815848_100010069531 [0,0,0,0,0,0|2,1,0]=3 333 B14R1.863 CNc1ccncc1SC[C@@H](O)CO 62a_100010069531_100009815848 [0,0,0,0,0,0|2,1,0]=3 334 B14R1.863 CNc1ncccc1SCC(O)CO 62a_100000700899_100011219619 [0,0,0,0,0,0|2,1,0]=3 335 B14R1.863 CNc1ncccc1SCC(O)CO 62a_100011219619_100000700899 [0,0,0,0,0,0|2,1,0]=3 336 B14R1.863 CNc1ncccc1SC[C@@H](C)CO 62a_100000059175_100000700899 [0,0,0,0,0,0|3,1,0]=4 337 B14R1.863 CNc1ncccc1SC[C@@H](C)CO 62a_100000700899_100000059175 [0,0,0,0,0,0|3,1,0]=4 338 B14R1.863 CNc1ncccc1SC[C@@H](O)CF 62a_100000700899_100015614560 [0,0,0,0,0,0|3,1,0]=4 339 B14R1.863 CNc1ncccc1SC[C@@H](O)CF 62a_100015614560_100000700899 [0,0,0,0,0,0|3,1,0]=4 340 B14R1.863 CNc1ncccc1SC[C@@H](O)CO 62a_100000700899_100009815848 [0,0,0,0,0,0|2,1,0]=3 341 B14R1.863 CNc1ncccc1SC[C@@H](O)CO 62a_100009815848_100000700899 [0,0,0,0,0,0|2,1,0]=3 342 B14R1.863 CNc1nccnc1SCC(O)CO 62a_100011219619_100011529439 [0,0,0,0,0,0|3,1,0]=4 343 B14R1.863 CNc1nccnc1SC[C@@H](O)CO 62a_100009815848_100011529439 [0,0,0,0,0,0|3,1,0]=4 344 B14R1.863 CNc1ncncc1SCC(O)CO 62a_100011219619_200012180720 [0,0,0,0,0,0|3,1,0]=4 345 B14R1.863 CNc1ncncc1SCC(O)CO 62a_200012180720_100011219619 [0,0,0,0,0,0|3,1,0]=4 346 B14R1.863 CNc1ncncc1SC[C@@H](O)CO 62a_100009815848_200012180720 [0,0,0,0,0,0|3,1,0]=4 347 B14R1.863 CNc1ncncc1SC[C@@H](O)CO 62a_200012180720_100009815848 [0,0,0,0,0,0|3,1,0]=4 348 B14R1.863 COC(=O)COc1ccccc1OC 34a_100000210385_100000747449 [0,0,0,0,0,0|2,0,2]=4 349 B14R1.863 COc1ccccc1CCC(=O)CF 1458a_100000184355_100015361967 [0,0,0,0,0,0|2,0,2]=4 350 B14R1.863 COc1ccccc1CCC(=O)CO 1458a_100000210174_100011713687 [0,0,0,0,0,0|1,0,2]=3 351 B14R1.863 COc1ccccc1CCN(C)CF 269982a_100000231131_100015361967 [0,0,0,0,0,0|4,0,0]=4 352 B14R1.863 COc1ccccc1CNC(=O)CO 240690a_100000188900_100000210174 [0,0,0,0,0,0|2,0,2]=4 353 B14R1.863 COc1ccccc1CNC(=O)CO 527a_100000188900_100000210174 [0,0,0,0,0,0|2,0,2]=4 354 B14R1.863 COc1ccccc1CNC(C)CO 34a_100000188900_100012180447 [0,0,0,0,0,0|3,0,0]=3 355 B14R1.863 COc1ccccc1CN[C@H](C)CF 207a_100102880703_100000169842 [0,0,0,0,0,0|4,0,0]=4 356 B14R1.863 COc1ccccc1CN[C@H](C)CF 270004a_100102880703_100000169842 [0,0,0,0,0,0|4,0,0]=4 357 B14R1.863 COc1ccccc1CN[C@H](C)CO 207a_100000737577_100000169842 [0,0,0,0,0,0|3,0,0]=3 358 B14R1.863 COc1ccccc1CN[C@H](C)CO 2230a_100000737577_100000210004 [0,0,0,0,0,0|3,0,0]=3 359 B14R1.863 COc1ccccc1CN[C@H](C)CO 270004a_100000737577_100000169842 [0,0,0,0,0,0|3,0,0]=3 360 B14R1.863 COc1ccccc1COC(C)CF 34a_100016041109_100000210004 [0,0,0,0,0,0|4,0,0]=4 361 B14R1.863 COc1ccccc1COC(C)CF 7a_100016041109_100000210004 [0,0,0,0,0,0|4,0,0]=4 362 B14R1.863 COc1ccccc1COC(C)CN 34a_100000210904_100000210004 [0,0,0,0,0,0|4,0,0]=4 363 B14R1.863 COc1ccccc1COC(C)CO 34a_100000211301_100012180447 [0,0,0,0,0,0|3,0,0]=3 364 B14R1.863 COc1ccccc1CSC(C)CO 62a_100012180447_100000210004 [0,0,0,0,0,0|3,0,0]=3 365 B14R1.863 COc1ccccc1CS[C@H](C)CO 62a_100000210004_100016084084 [0,0,0,0,0,0|3,0,0]=3 366 B14R1.863 COc1ccccc1CS[C@H](C)CO 62a_100016084084_100000210004 [0,0,0,0,0,0|3,0,0]=3 367 B14R1.863 COc1ccccc1NCC(O)CO 34a_100000210025_100011219619 [0,0,0,0,0,0|1,0,0]=1 368 B14R1.863 COc1ccccc1NC[C@@H](C)CO 34a_100000210025_100000059175 [0,0,0,0,0,0|2,0,0]=2 369 B14R1.863 COc1ccccc1NC[C@@H](O)CF 34a_100000210025_100015614560 [0,0,0,0,0,0|2,0,0]=2 370 B14R1.863 COc1ccccc1NC[C@@H](O)CO 34a_100000210025_100009815848 [0,0,0,0,0,0|1,0,0]=1 371 B14R1.863 COc1ccccc1NN=C(C)CO 4a_100000751209_100000211253 [0,0,0,0,0,0|3,0,1]=4 372 B14R1.863 COc1ccccc1NNC(=O)CO 22a_100000751209_100000210174 [0,0,0,0,0,0|2,0,2]=4 373 B14R1.863 COc1ccccc1OCC(=O)CF 1458a_100000182946_100015361967 [0,0,0,0,0,0|1,0,2]=3 374 B14R1.863 COc1ccccc1OCC(C)N[13CH3] 2230a_100000743626_200025704644 [0,0,0,0,0,0|3,0,0]=3 375 B14R1.863 COc1ccccc1OCC(C)OC 34a_100000242603_200000210301 [0,0,0,0,0,0|3,0,0]=3 376 B14R1.863 COc1ccccc1OCC(C)OC 7a_100000242603_200000210301 [0,0,0,0,0,0|3,0,0]=3 377 B14R1.863 COc1ccccc1OCC(C)O[13CH3] 34a_100000242603_200025704644 [0,0,0,0,0,0|3,0,0]=3 378 B14R1.863 COc1ccccc1OCC(C)O[13CH3] 7a_100000242603_200025704644 [0,0,0,0,0,0|3,0,0]=3 379 B14R1.863 COc1ccccc1OCC(O)CO 34a_100000210385_100011219619 [0,0,0,0,0,0|0,0,0]=0 380 B14R1.863 COc1ccccc1OC[C@@H](C)CO 34a_100000210385_100000059175 [0,0,0,0,0,0|1,0,0]=1 381 B14R1.863 COc1ccccc1OC[C@@H](O)CF 34a_100000210385_100015614560 [0,0,0,0,0,0|1,0,0]=1 382 B14R1.863 COc1ccccc1OC[C@@H](O)CO 34a_100000210385_100009815848 [0,0,0,0,0,0|0,0,0]=0 383 B14R1.863 COc1ccccc1SCC(O)CO 62a_100000210334_100011219619 [0,0,0,0,0,0|0,1,0]=1 384 B14R1.863 COc1ccccc1SCC(O)CO 62a_100011219619_100000210334 [0,0,0,0,0,0|0,1,0]=1 385 B14R1.863 COc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000210334 [0,0,0,0,0,0|1,1,0]=2 386 B14R1.863 COc1ccccc1SC[C@@H](C)CO 62a_100000210334_100000059175 [0,0,0,0,0,0|1,1,0]=2 387 B14R1.863 COc1ccccc1SC[C@@H](O)CF 62a_100000210334_100015614560 [0,0,0,0,0,0|1,1,0]=2 388 B14R1.863 COc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000210334 [0,0,0,0,0,0|1,1,0]=2 389 B14R1.863 COc1ccccc1SC[C@@H](O)CO 62a_100000210334_100009815848 [0,0,0,0,0,0|0,1,0]=1 390 B14R1.863 COc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000210334 [0,0,0,0,0,0|0,1,0]=1 391 B14R1.863 COc1cccnc1CN[C@H](C)CO 207a_100000737577_100011912573 [0,0,0,0,0,0|4,0,0]=4 392 B14R1.863 COc1cccnc1CN[C@H](C)CO 270004a_100000737577_100011912573 [0,0,0,0,0,0|4,0,0]=4 393 B14R1.863 COc1cccnc1COC(C)CO 34a_100011998681_100012180447 [0,0,0,0,0,0|4,0,0]=4 394 B14R1.863 COc1cccnc1OCC(O)CO 34a_100025773188_100011219619 [0,0,0,0,0,0|1,0,0]=1 395 B14R1.863 COc1cccnc1OC[C@@H](C)CO 34a_100025773188_100000059175 [0,0,0,0,0,0|2,0,0]=2 396 B14R1.863 COc1cccnc1OC[C@@H](O)CF 34a_100025773188_100015614560 [0,0,0,0,0,0|2,0,0]=2 397 B14R1.863 COc1cccnc1OC[C@@H](O)CO 34a_100025773188_100009815848 [0,0,0,0,0,0|1,0,0]=1 398 B14R1.863 COc1cccnc1SCC(O)CO 62a_100000767102_100011219619 [0,0,0,0,0,0|1,1,0]=2 399 B14R1.863 COc1cccnc1SCC(O)CO 62a_100011219619_100000690851 [0,0,0,0,0,0|1,1,0]=2 400 B14R1.863 COc1cccnc1SC[C@@H](C)CO 62a_100000059175_100000690851 [0,0,0,0,0,0|2,1,0]=3 401 B14R1.863 COc1cccnc1SC[C@@H](C)CO 62a_100000767102_100000059175 [0,0,0,0,0,0|2,1,0]=3 402 B14R1.863 COc1cccnc1SC[C@@H](O)CF 62a_100000767102_100015614560 [0,0,0,0,0,0|2,1,0]=3 403 B14R1.863 COc1cccnc1SC[C@@H](O)CF 62a_100015614560_100000690851 [0,0,0,0,0,0|2,1,0]=3 404 B14R1.863 COc1cccnc1SC[C@@H](O)CO 62a_100000767102_100009815848 [0,0,0,0,0,0|1,1,0]=2 405 B14R1.863 COc1cccnc1SC[C@@H](O)CO 62a_100009815848_100000690851 [0,0,0,0,0,0|1,1,0]=2 406 B14R1.863 COc1ccncc1CN[C@H](C)CO 207a_100000737577_200011997045 [0,0,0,0,0,0|4,0,0]=4 407 B14R1.863 COc1ccncc1CN[C@H](C)CO 270004a_100000737577_200011997045 [0,0,0,0,0,0|4,0,0]=4 408 B14R1.863 COc1ccncc1OCC(O)CO 34a_100000101186_100011219619 [0,0,0,0,0,0|1,0,0]=1 409 B14R1.863 COc1ccncc1OC[C@@H](C)CO 34a_100000101186_100000059175 [0,0,0,0,0,0|2,0,0]=2 410 B14R1.863 COc1ccncc1OC[C@@H](O)CF 34a_100000101186_100015614560 [0,0,0,0,0,0|2,0,0]=2 411 B14R1.863 COc1ccncc1OC[C@@H](O)CO 34a_100000101186_100009815848 [0,0,0,0,0,0|1,0,0]=1 412 B14R1.863 COc1ccncc1SCC(O)CO 62a_100011219619_100011997281 [0,0,0,0,0,0|1,1,0]=2 413 B14R1.863 COc1ccncc1SCC(O)CO 62a_100011997281_100011219619 [0,0,0,0,0,0|1,1,0]=2 414 B14R1.863 COc1ccncc1SC[C@@H](C)CO 62a_100000059175_100011997281 [0,0,0,0,0,0|2,1,0]=3 415 B14R1.863 COc1ccncc1SC[C@@H](C)CO 62a_100011997281_100000059175 [0,0,0,0,0,0|2,1,0]=3 416 B14R1.863 COc1ccncc1SC[C@@H](O)CF 62a_100011997281_100015614560 [0,0,0,0,0,0|2,1,0]=3 417 B14R1.863 COc1ccncc1SC[C@@H](O)CF 62a_100015614560_100011997281 [0,0,0,0,0,0|2,1,0]=3 418 B14R1.863 COc1ccncc1SC[C@@H](O)CO 62a_100009815848_100011997281 [0,0,0,0,0,0|1,1,0]=2 419 B14R1.863 COc1ccncc1SC[C@@H](O)CO 62a_100011997281_100009815848 [0,0,0,0,0,0|1,1,0]=2 420 B14R1.863 COc1cnccc1CN[C@H](C)CO 207a_100000737577_100011361505 [0,0,0,0,0,0|4,0,0]=4 421 B14R1.863 COc1cnccc1CN[C@H](C)CO 2230a_100000737577_100020635607 [0,0,0,0,0,0|4,0,0]=4 422 B14R1.863 COc1cnccc1CN[C@H](C)CO 270004a_100000737577_100011361505 [0,0,0,0,0,0|4,0,0]=4 423 B14R1.863 COc1cnccc1CSC(C)CO 62a_100012180447_100020635607 [0,0,0,0,0,0|4,0,0]=4 424 B14R1.863 COc1cnccc1CS[C@H](C)CO 62a_100016084084_100020635607 [0,0,0,0,0,0|4,0,0]=4 425 B14R1.863 COc1cnccc1CS[C@H](C)CO 62a_100020635607_100016084084 [0,0,0,0,0,0|4,0,0]=4 426 B14R1.863 COc1cnccc1SCC(O)CO 62a_100011219619_100016988167 [0,0,0,0,0,0|1,1,0]=2 427 B14R1.863 COc1cnccc1SCC(O)CO 62a_100016988167_100011219619 [0,0,0,0,0,0|1,1,0]=2 428 B14R1.863 COc1cnccc1SC[C@@H](C)CO 62a_100000059175_100016988167 [0,0,0,0,0,0|2,1,0]=3 429 B14R1.863 COc1cnccc1SC[C@@H](C)CO 62a_100016988167_100000059175 [0,0,0,0,0,0|2,1,0]=3 430 B14R1.863 COc1cnccc1SC[C@@H](O)CF 62a_100015614560_100016988167 [0,0,0,0,0,0|2,1,0]=3 431 B14R1.863 COc1cnccc1SC[C@@H](O)CF 62a_100016988167_100015614560 [0,0,0,0,0,0|2,1,0]=3 432 B14R1.863 COc1cnccc1SC[C@@H](O)CO 62a_100009815848_100016988167 [0,0,0,0,0,0|1,1,0]=2 433 B14R1.863 COc1cnccc1SC[C@@H](O)CO 62a_100016988167_100009815848 [0,0,0,0,0,0|1,1,0]=2 434 B14R1.863 COc1cncnc1NCC(C)CO 27a_100000744482_100012001275 [0,0,0,0,0,0|4,0,0]=4 435 B14R1.863 COc1cncnc1NC[C@@H](F)CO 27a_100015665980_100012001275 [0,0,0,0,0,0|4,0,0]=4 436 B14R1.863 COc1cncnc1NC[C@H](O)CO 27a_100020644852_100012001275 [0,0,0,0,0,0|3,0,0]=3 437 B14R1.863 COc1cncnc1SCC(O)CO 62a_100011219619_100012001275 [0,0,0,0,0,0|2,1,0]=3 438 B14R1.863 COc1cncnc1SCC(O)CO 62a_100012001275_100011219619 [0,0,0,0,0,0|2,1,0]=3 439 B14R1.863 COc1cncnc1SC[C@@H](C)CO 62a_100000059175_100012001275 [0,0,0,0,0,0|3,1,0]=4 440 B14R1.863 COc1cncnc1SC[C@@H](C)CO 62a_100012001275_100000059175 [0,0,0,0,0,0|3,1,0]=4 441 B14R1.863 COc1cncnc1SC[C@@H](O)CF 62a_100012001275_100015614560 [0,0,0,0,0,0|3,1,0]=4 442 B14R1.863 COc1cncnc1SC[C@@H](O)CF 62a_100015614560_100012001275 [0,0,0,0,0,0|3,1,0]=4 443 B14R1.863 COc1cncnc1SC[C@@H](O)CO 62a_100009815848_100012001275 [0,0,0,0,0,0|2,1,0]=3 444 B14R1.863 COc1cncnc1SC[C@@H](O)CO 62a_100012001275_100009815848 [0,0,0,0,0,0|2,1,0]=3 445 B14R1.863 COc1ncccc1CN[C@H](C)CO 207a_100000737577_100011290804 [0,0,0,0,0,0|4,0,0]=4 446 B14R1.863 COc1ncccc1CN[C@H](C)CO 2230a_100000737577_100020631285 [0,0,0,0,0,0|4,0,0]=4 447 B14R1.863 COc1ncccc1CN[C@H](C)CO 270004a_100000737577_100011290804 [0,0,0,0,0,0|4,0,0]=4 448 B14R1.863 COc1ncccc1COC(C)CO 34a_100000717863_100012180447 [0,0,0,0,0,0|4,0,0]=4 449 B14R1.863 COc1ncccc1CSC(C)CO 62a_100012180447_100020631285 [0,0,0,0,0,0|4,0,0]=4 450 B14R1.863 COc1ncccc1CS[C@H](C)CO 62a_100016084084_100020631285 [0,0,0,0,0,0|4,0,0]=4 451 B14R1.863 COc1ncccc1CS[C@H](C)CO 62a_100020631285_100016084084 [0,0,0,0,0,0|4,0,0]=4 452 B14R1.863 COc1ncccc1OCC(O)CO 34a_100000698397_100011219619 [0,0,0,0,0,0|1,0,0]=1 453 B14R1.863 COc1ncccc1OCC(O)CO 7a_100000698397_100011219619 [0,0,0,0,0,0|1,0,0]=1 454 B14R1.863 COc1ncccc1OC[C@@H](C)CO 34a_100000698397_100000059175 [0,0,0,0,0,0|2,0,0]=2 455 B14R1.863 COc1ncccc1OC[C@@H](C)CO 7a_100000698397_100000059175 [0,0,0,0,0,0|2,0,0]=2 456 B14R1.863 COc1ncccc1OC[C@@H](O)CF 34a_100000698397_100015614560 [0,0,0,0,0,0|2,0,0]=2 457 B14R1.863 COc1ncccc1OC[C@@H](O)CF 7a_100000698397_100015614560 [0,0,0,0,0,0|2,0,0]=2 458 B14R1.863 COc1ncccc1OC[C@@H](O)CO 34a_100000698397_100009815848 [0,0,0,0,0,0|1,0,0]=1 459 B14R1.863 COc1ncccc1OC[C@@H](O)CO 7a_100000698397_100009815848 [0,0,0,0,0,0|1,0,0]=1 460 B14R1.863 COc1ncccc1SCC(O)CO 62a_100000047025_100011219619 [0,0,0,0,0,0|1,1,0]=2 461 B14R1.863 COc1ncccc1SCC(O)CO 62a_100011219619_100000047025 [0,0,0,0,0,0|1,1,0]=2 462 B14R1.863 COc1ncccc1SC[C@@H](C)CO 62a_100000047025_100000059175 [0,0,0,0,0,0|2,1,0]=3 463 B14R1.863 COc1ncccc1SC[C@@H](C)CO 62a_100000059175_100000047025 [0,0,0,0,0,0|2,1,0]=3 464 B14R1.863 COc1ncccc1SC[C@@H](O)CF 62a_100000047025_100015614560 [0,0,0,0,0,0|2,1,0]=3 465 B14R1.863 COc1ncccc1SC[C@@H](O)CF 62a_100015614560_100000047025 [0,0,0,0,0,0|2,1,0]=3 466 B14R1.863 COc1ncccc1SC[C@@H](O)CO 62a_100000047025_100009815848 [0,0,0,0,0,0|1,1,0]=2 467 B14R1.863 COc1ncccc1SC[C@@H](O)CO 62a_100009815848_100000047025 [0,0,0,0,0,0|1,1,0]=2 468 B14R1.863 COc1nccnc1NCC(C)CO 27a_100000744482_100009858322 [0,0,0,0,0,0|4,0,0]=4 469 B14R1.863 COc1nccnc1NC[C@@H](F)CO 27a_100015665980_100009858322 [0,0,0,0,0,0|4,0,0]=4 470 B14R1.863 COc1nccnc1NC[C@H](O)CO 27a_100020644852_100009858322 [0,0,0,0,0,0|3,0,0]=3 471 B14R1.863 COc1nccnc1SCC(O)CO 62a_100009858322_100011219619 [0,0,0,0,0,0|2,1,0]=3 472 B14R1.863 COc1nccnc1SCC(O)CO 62a_100011219619_100000749998 [0,0,0,0,0,0|2,1,0]=3 473 B14R1.863 COc1nccnc1SC[C@@H](C)CO 62a_100000059175_100000749998 [0,0,0,0,0,0|3,1,0]=4 474 B14R1.863 COc1nccnc1SC[C@@H](C)CO 62a_100009858322_100000059175 [0,0,0,0,0,0|3,1,0]=4 475 B14R1.863 COc1nccnc1SC[C@@H](O)CF 62a_100009858322_100015614560 [0,0,0,0,0,0|3,1,0]=4 476 B14R1.863 COc1nccnc1SC[C@@H](O)CF 62a_100015614560_100000749998 [0,0,0,0,0,0|3,1,0]=4 477 B14R1.863 COc1nccnc1SC[C@@H](O)CO 62a_100009815848_100000749998 [0,0,0,0,0,0|2,1,0]=3 478 B14R1.863 COc1nccnc1SC[C@@H](O)CO 62a_100009858322_100009815848 [0,0,0,0,0,0|2,1,0]=3 479 B14R1.863 COc1ncncc1SCC(O)CO 62a_100000719902_100011219619 [0,0,0,0,0,0|2,1,0]=3 480 B14R1.863 COc1ncncc1SCC(O)CO 62a_100011219619_100000719902 [0,0,0,0,0,0|2,1,0]=3 481 B14R1.863 COc1ncncc1SC[C@@H](C)CO 62a_100000059175_100000719902 [0,0,0,0,0,0|3,1,0]=4 482 B14R1.863 COc1ncncc1SC[C@@H](C)CO 62a_100000719902_100000059175 [0,0,0,0,0,0|3,1,0]=4 483 B14R1.863 COc1ncncc1SC[C@@H](O)CF 62a_100000719902_100015614560 [0,0,0,0,0,0|3,1,0]=4 484 B14R1.863 COc1ncncc1SC[C@@H](O)CF 62a_100015614560_100000719902 [0,0,0,0,0,0|3,1,0]=4 485 B14R1.863 COc1ncncc1SC[C@@H](O)CO 62a_100000719902_100009815848 [0,0,0,0,0,0|2,1,0]=3 486 B14R1.863 COc1ncncc1SC[C@@H](O)CO 62a_100009815848_100000719902 [0,0,0,0,0,0|2,1,0]=3 487 B14R1.863 CSc1ccccc1CNC(C)CO 34a_102495365025_100012180447 [0,0,0,0,0,0|3,1,0]=4 488 B14R1.863 CSc1ccccc1CN[C@H](C)CO 207a_100000737577_100011217347 [0,0,0,0,0,0|3,1,0]=4 489 B14R1.863 CSc1ccccc1CN[C@H](C)CO 2230a_100000737577_100000699184 [0,0,0,0,0,0|3,1,0]=4 490 B14R1.863 CSc1ccccc1CN[C@H](C)CO 270004a_100000737577_100011217347 [0,0,0,0,0,0|3,1,0]=4 491 B14R1.863 CSc1ccccc1COC(C)CO 34a_100000699167_100012180447 [0,0,0,0,0,0|3,1,0]=4 492 B14R1.863 CSc1ccccc1CSC(C)CO 62a_100012180447_100000699184 [0,0,0,0,0,0|3,1,0]=4 493 B14R1.863 CSc1ccccc1CS[C@H](C)CO 62a_100000699184_100016084084 [0,0,0,0,0,0|3,1,0]=4 494 B14R1.863 CSc1ccccc1CS[C@H](C)CO 62a_100016084084_100000699184 [0,0,0,0,0,0|3,1,0]=4 495 B14R1.863 CSc1ccccc1NCC(O)CO 34a_100000211160_100011219619 [0,0,0,0,0,0|1,1,0]=2 496 B14R1.863 CSc1ccccc1NC[C@@H](C)CO 34a_100000211160_100000059175 [0,0,0,0,0,0|2,1,0]=3 497 B14R1.863 CSc1ccccc1NC[C@@H](O)CF 34a_100000211160_100015614560 [0,0,0,0,0,0|2,1,0]=3 498 B14R1.863 CSc1ccccc1NC[C@@H](O)CO 34a_100000211160_100009815848 [0,0,0,0,0,0|1,1,0]=2 499 B14R1.863 CSc1ccccc1OCC(O)CO 34a_100011216402_100011219619 [0,0,0,0,0,0|0,1,0]=1 500 B14R1.863 CSc1ccccc1OC[C@@H](C)CO 34a_100011216402_100000059175 [0,0,0,0,0,0|1,1,0]=2 501 B14R1.863 CSc1ccccc1OC[C@@H](O)CF 34a_100011216402_100015614560 [0,0,0,0,0,0|1,1,0]=2 502 B14R1.863 CSc1ccccc1OC[C@@H](O)CO 34a_100011216402_100009815848 [0,0,0,0,0,0|0,1,0]=1 503 B14R1.863 CSc1ccccc1SCC(O)CO 62a_100011217816_100011219619 [0,0,0,0,0,0|0,2,0]=2 504 B14R1.863 CSc1ccccc1SCC(O)CO 62a_100011219619_100011217816 [0,0,0,0,0,0|0,2,0]=2 505 B14R1.863 CSc1ccccc1SC[C@@H](C)CO 62a_100000059175_100011217816 [0,0,0,0,0,0|1,2,0]=3 506 B14R1.863 CSc1ccccc1SC[C@@H](C)CO 62a_100011217816_100000059175 [0,0,0,0,0,0|1,2,0]=3 507 B14R1.863 CSc1ccccc1SC[C@@H](O)CF 62a_100011217816_100015614560 [0,0,0,0,0,0|1,2,0]=3 508 B14R1.863 CSc1ccccc1SC[C@@H](O)CF 62a_100015614560_100011217816 [0,0,0,0,0,0|1,2,0]=3 509 B14R1.863 CSc1ccccc1SC[C@@H](O)CO 62a_100009815848_100011217816 [0,0,0,0,0,0|0,2,0]=2 510 B14R1.863 CSc1ccccc1SC[C@@H](O)CO 62a_100011217816_100009815848 [0,0,0,0,0,0|0,2,0]=2 511 B14R1.863 CSc1ncccc1SCC(O)CO 62a_100011219619_100011465278 [0,0,0,0,0,0|1,2,0]=3 512 B14R1.863 CSc1ncccc1SCC(O)CO 62a_100011465278_100011219619 [0,0,0,0,0,0|1,2,0]=3 513 B14R1.863 CSc1ncccc1SC[C@@H](C)CO 62a_100000059175_100011465278 [0,0,0,0,0,0|2,2,0]=4 514 B14R1.863 CSc1ncccc1SC[C@@H](C)CO 62a_100011465278_100000059175 [0,0,0,0,0,0|2,2,0]=4 515 B14R1.863 CSc1ncccc1SC[C@@H](O)CF 62a_100011465278_100015614560 [0,0,0,0,0,0|2,2,0]=4 516 B14R1.863 CSc1ncccc1SC[C@@H](O)CF 62a_100015614560_100011465278 [0,0,0,0,0,0|2,2,0]=4 517 B14R1.863 CSc1ncccc1SC[C@@H](O)CO 62a_100009815848_100011465278 [0,0,0,0,0,0|1,2,0]=3 518 B14R1.863 CSc1ncccc1SC[C@@H](O)CO 62a_100011465278_100009815848 [0,0,0,0,0,0|1,2,0]=3 519 B14R1.863 C[C@@H](CO)CNc1ccccc1C#N 34a_100000211148_100000059175 [0,0,0,0,0,0|4,0,0]=4 520 B14R1.863 C[C@@H](CO)CNc1ccccc1CO 34a_100000212039_100000059175 [0,0,0,0,0,0|4,0,0]=4 521 B14R1.863 C[C@@H](CO)COc1ccccc1C#N 34a_100000211048_100000059175 [0,0,0,0,0,0|3,0,0]=3 522 B14R1.863 C[C@@H](CO)COc1ccccc1C#N 7a_100000211048_100000059175 [0,0,0,0,0,0|3,0,0]=3 523 B14R1.863 C[C@@H](CO)COc1ccccc1CN 34a_100000185550_100000059175 [0,0,0,0,0,0|3,0,0]=3 524 B14R1.863 C[C@@H](CO)COc1ccccc1CO 34a_100011216872_100000059175 [0,0,0,0,0,0|3,0,0]=3 525 B14R1.863 C[C@@H](CO)COc1cccnc1C#N 34a_100000722750_100000059175 [0,0,0,0,0,0|4,0,0]=4 526 B14R1.863 C[C@@H](CO)COc1cccnc1C#N 7a_100000722750_100000059175 [0,0,0,0,0,0|4,0,0]=4 527 B14R1.863 C[C@@H](CO)COc1cccnc1CBr 34a_200020655725_100000059175 [0,0,0,0,0,0|4,0,0]=4 528 B14R1.863 C[C@@H](CO)COc1cccnc1CBr 7a_200020655725_100000059175 [0,0,0,0,0,0|4,0,0]=4 529 B14R1.863 C[C@@H](CO)COc1cccnc1CO 34a_100000731849_100000059175 [0,0,0,0,0,0|4,0,0]=4 530 B14R1.863 C[C@@H](CO)COc1cnccc1C#N 7a_100012181322_100000059175 [0,0,0,0,0,0|4,0,0]=4 531 B14R1.863 C[C@@H](CO)COc1cnccc1CO 34a_100000078615_100000059175 [0,0,0,0,0,0|4,0,0]=4 532 B14R1.863 C[C@@H](CO)CSc1ccccc1C#N 62a_100000059175_100000188569 [0,0,0,0,0,0|3,1,0]=4 533 B14R1.863 C[C@@H](CO)CSc1ccccc1C=O 62a_100000059175_100000210073 [0,0,0,0,0,0|3,1,0]=4 534 B14R1.863 C[C@@H](CO)CSc1ccccc1C=O 62a_100000210073_100000059175 [0,0,0,0,0,0|3,1,0]=4 535 B14R1.863 C[C@@H](CO)CSc1ccccc1CN 62a_100000059175_100000689332 [0,0,0,0,0,0|3,1,0]=4 536 B14R1.863 C[C@@H](CO)CSc1ccccc1CN 62a_100000689332_100000059175 [0,0,0,0,0,0|3,1,0]=4 537 B14R1.863 C[C@@H](CO)CSc1ccccc1CO 62a_100000059175_100000187465 [0,0,0,0,0,0|3,1,0]=4 538 B14R1.863 C[C@@H](CO)CSc1ccccc1CO 62a_100000187465_100000059175 [0,0,0,0,0,0|3,1,0]=4 539 B14R1.863 C[C@@H](CO)CSc1ccccc1NN 62a_100000059175_100000241748 [0,0,0,0,0,0|3,1,0]=4 540 B14R1.863 C[C@@H](CO)CSc1ccccc1NN 62a_100000241748_100000059175 [0,0,0,0,0,0|3,1,0]=4 541 B14R1.863 N#Cc1ccccc1NCC(O)CO 34a_100000211148_100011219619 [0,0,0,0,0,0|3,0,0]=3 542 B14R1.863 N#Cc1ccccc1NC[C@@H](O)CF 34a_100000211148_100015614560 [0,0,0,0,0,0|4,0,0]=4 543 B14R1.863 N#Cc1ccccc1NC[C@@H](O)CO 34a_100000211148_100009815848 [0,0,0,0,0,0|3,0,0]=3 544 B14R1.863 N#Cc1ccccc1OCC(O)CO 34a_100000211048_100011219619 [0,0,0,0,0,0|2,0,0]=2 545 B14R1.863 N#Cc1ccccc1OCC(O)CO 7a_100000211048_100011219619 [0,0,0,0,0,0|2,0,0]=2 546 B14R1.863 N#Cc1ccccc1OC[C@@H](O)CF 34a_100000211048_100015614560 [0,0,0,0,0,0|3,0,0]=3 547 B14R1.863 N#Cc1ccccc1OC[C@@H](O)CF 7a_100000211048_100015614560 [0,0,0,0,0,0|3,0,0]=3 548 B14R1.863 N#Cc1ccccc1OC[C@@H](O)CO 34a_100000211048_100009815848 [0,0,0,0,0,0|2,0,0]=2 549 B14R1.863 N#Cc1ccccc1OC[C@@H](O)CO 7a_100000211048_100009815848 [0,0,0,0,0,0|2,0,0]=2 550 B14R1.863 N#Cc1ccccc1SCC(O)CO 62a_100011219619_100000188569 [0,0,0,0,0,0|2,1,0]=3 551 B14R1.863 N#Cc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000188569 [0,0,0,0,0,0|3,1,0]=4 552 B14R1.863 N#Cc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000188569 [0,0,0,0,0,0|2,1,0]=3 553 B14R1.863 N#Cc1cccnc1NC[C@H](O)CO 27a_100020644852_100000211984 [0,0,0,0,0,0|4,0,0]=4 554 B14R1.863 N#Cc1cccnc1SCC(O)CO 62a_100011219619_100000211984 [0,0,0,0,0,0|3,1,0]=4 555 B14R1.863 N#Cc1cccnc1SC[C@@H](O)CO 62a_100009815848_100000211984 [0,0,0,0,0,0|3,1,0]=4 556 B14R1.863 N#Cc1ccncc1NC[C@H](O)CO 27a_100020644852_100000684818 [0,0,0,0,0,0|4,0,0]=4 557 B14R1.863 N#Cc1ccncc1OCC(O)CO 7a_100012181322_100011219619 [0,0,0,0,0,0|3,0,0]=3 558 B14R1.863 N#Cc1ccncc1OC[C@@H](O)CF 7a_100012181322_100015614560 [0,0,0,0,0,0|4,0,0]=4 559 B14R1.863 N#Cc1ccncc1OC[C@@H](O)CO 7a_100012181322_100009815848 [0,0,0,0,0,0|3,0,0]=3 560 B14R1.863 N#Cc1ccncc1SCC(O)CO 62a_100011219619_100000684818 [0,0,0,0,0,0|3,1,0]=4 561 B14R1.863 N#Cc1ccncc1SC[C@@H](O)CO 62a_100009815848_100000684818 [0,0,0,0,0,0|3,1,0]=4 562 B14R1.863 N#Cc1cnccc1NC[C@H](O)CO 27a_100020644852_100000687039 [0,0,0,0,0,0|4,0,0]=4 563 B14R1.863 N#Cc1cnccc1SCC(O)CO 62a_100011219619_100000687039 [0,0,0,0,0,0|3,1,0]=4 564 B14R1.863 N#Cc1cnccc1SC[C@@H](O)CO 62a_100009815848_100000687039 [0,0,0,0,0,0|3,1,0]=4 565 B14R1.863 N#Cc1ncccc1OCC(O)CO 34a_100000722750_100011219619 [0,0,0,0,0,0|3,0,0]=3 566 B14R1.863 N#Cc1ncccc1OCC(O)CO 7a_100000722750_100011219619 [0,0,0,0,0,0|3,0,0]=3 567 B14R1.863 N#Cc1ncccc1OC[C@@H](O)CF 34a_100000722750_100015614560 [0,0,0,0,0,0|4,0,0]=4 568 B14R1.863 N#Cc1ncccc1OC[C@@H](O)CF 7a_100000722750_100015614560 [0,0,0,0,0,0|4,0,0]=4 569 B14R1.863 N#Cc1ncccc1OC[C@@H](O)CO 34a_100000722750_100009815848 [0,0,0,0,0,0|3,0,0]=3 570 B14R1.863 N#Cc1ncccc1OC[C@@H](O)CO 7a_100000722750_100009815848 [0,0,0,0,0,0|3,0,0]=3 571 B14R1.863 N#Cc1ncccc1SCC(O)CO 62a_100011219619_100000685805 [0,0,0,0,0,0|3,1,0]=4 572 B14R1.863 N#Cc1ncccc1SC[C@@H](O)CO 62a_100009815848_100000685805 [0,0,0,0,0,0|3,1,0]=4 573 B14R1.863 NCc1ccccc1OCC(O)CO 34a_100000185550_100011219619 [0,0,0,0,0,0|2,0,0]=2 574 B14R1.863 NCc1ccccc1OC[C@@H](O)CF 34a_100000185550_100015614560 [0,0,0,0,0,0|3,0,0]=3 575 B14R1.863 NCc1ccccc1OC[C@@H](O)CO 34a_100000185550_100009815848 [0,0,0,0,0,0|2,0,0]=2 576 B14R1.863 NCc1ccccc1SCC(O)CO 62a_100000689332_100011219619 [0,0,0,0,0,0|2,1,0]=3 577 B14R1.863 NCc1ccccc1SCC(O)CO 62a_100011219619_100000689332 [0,0,0,0,0,0|2,1,0]=3 578 B14R1.863 NCc1ccccc1SC[C@@H](O)CF 62a_100000689332_100015614560 [0,0,0,0,0,0|3,1,0]=4 579 B14R1.863 NCc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000689332 [0,0,0,0,0,0|3,1,0]=4 580 B14R1.863 NCc1ccccc1SC[C@@H](O)CO 62a_100000689332_100009815848 [0,0,0,0,0,0|2,1,0]=3 581 B14R1.863 NCc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000689332 [0,0,0,0,0,0|2,1,0]=3 582 B14R1.863 NCc1cccnc1SCC(O)CO 62a_100011219619_100015189234 [0,0,0,0,0,0|3,1,0]=4 583 B14R1.863 NCc1cccnc1SCC(O)CO 62a_100015189234_100011219619 [0,0,0,0,0,0|3,1,0]=4 584 B14R1.863 NCc1cccnc1SC[C@@H](O)CO 62a_100009815848_100015189234 [0,0,0,0,0,0|3,1,0]=4 585 B14R1.863 NCc1cccnc1SC[C@@H](O)CO 62a_100015189234_100009815848 [0,0,0,0,0,0|3,1,0]=4 586 B14R1.863 NCc1ccncc1SCC(O)CO 62a_100011219619_100020640021 [0,0,0,0,0,0|3,1,0]=4 587 B14R1.863 NCc1ccncc1SCC(O)CO 62a_100020640021_100011219619 [0,0,0,0,0,0|3,1,0]=4 588 B14R1.863 NCc1ccncc1SC[C@@H](O)CO 62a_100009815848_100020640021 [0,0,0,0,0,0|3,1,0]=4 589 B14R1.863 NCc1ccncc1SC[C@@H](O)CO 62a_100020640021_100009815848 [0,0,0,0,0,0|3,1,0]=4 590 B14R1.863 NCc1ncccc1SCC(O)CO 62a_100011219619_100020591323 [0,0,0,0,0,0|3,1,0]=4 591 B14R1.863 NCc1ncccc1SCC(O)CO 62a_100020591323_100011219619 [0,0,0,0,0,0|3,1,0]=4 592 B14R1.863 NCc1ncccc1SC[C@@H](O)CO 62a_100009815848_100020591323 [0,0,0,0,0,0|3,1,0]=4 593 B14R1.863 NCc1ncccc1SC[C@@H](O)CO 62a_100020591323_100009815848 [0,0,0,0,0,0|3,1,0]=4 594 B14R1.863 NNc1ccccc1SCC(O)CO 62a_100000241748_100011219619 [0,0,0,0,0,0|2,1,0]=3 595 B14R1.863 NNc1ccccc1SCC(O)CO 62a_100011219619_100000241748 [0,0,0,0,0,0|2,1,0]=3 596 B14R1.863 NNc1ccccc1SC[C@@H](O)CF 62a_100000241748_100015614560 [0,0,0,0,0,0|3,1,0]=4 597 B14R1.863 NNc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000241748 [0,0,0,0,0,0|3,1,0]=4 598 B14R1.863 NNc1ccccc1SC[C@@H](O)CO 62a_100000241748_100009815848 [0,0,0,0,0,0|2,1,0]=3 599 B14R1.863 NNc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000241748 [0,0,0,0,0,0|2,1,0]=3 600 B14R1.863 NNc1ccncc1SCC(O)CO 62a_100011219619_100013404636 [0,0,0,0,0,0|3,1,0]=4 601 B14R1.863 NNc1ccncc1SCC(O)CO 62a_100013404636_100011219619 [0,0,0,0,0,0|3,1,0]=4 602 B14R1.863 NNc1ccncc1SC[C@@H](O)CO 62a_100009815848_100013404636 [0,0,0,0,0,0|3,1,0]=4 603 B14R1.863 NNc1ccncc1SC[C@@H](O)CO 62a_100013404636_100009815848 [0,0,0,0,0,0|3,1,0]=4 604 B14R1.863 NNc1ncccc1SCC(O)CO 62a_100011219619_100011464834 [0,0,0,0,0,0|3,1,0]=4 605 B14R1.863 NNc1ncccc1SCC(O)CO 62a_100011464834_100011219619 [0,0,0,0,0,0|3,1,0]=4 606 B14R1.863 NNc1ncccc1SC[C@@H](O)CO 62a_100009815848_100011464834 [0,0,0,0,0,0|3,1,0]=4 607 B14R1.863 NNc1ncccc1SC[C@@H](O)CO 62a_100011464834_100009815848 [0,0,0,0,0,0|3,1,0]=4 608 B14R1.863 O=Cc1ccccc1SCC(O)CO 62a_100000210073_100011219619 [0,0,0,0,0,0|2,1,0]=3 609 B14R1.863 O=Cc1ccccc1SCC(O)CO 62a_100011219619_100000210073 [0,0,0,0,0,0|2,1,0]=3 610 B14R1.863 O=Cc1ccccc1SC[C@@H](O)CF 62a_100000210073_100015614560 [0,0,0,0,0,0|3,1,0]=4 611 B14R1.863 O=Cc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000210073 [0,0,0,0,0,0|3,1,0]=4 612 B14R1.863 O=Cc1ccccc1SC[C@@H](O)CO 62a_100000210073_100009815848 [0,0,0,0,0,0|2,1,0]=3 613 B14R1.863 O=Cc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000210073 [0,0,0,0,0,0|2,1,0]=3 614 B14R1.863 O=Cc1cccnc1SCC(O)CO 62a_100009816751_100011219619 [0,0,0,0,0,0|3,1,0]=4 615 B14R1.863 O=Cc1cccnc1SCC(O)CO 62a_100011219619_100009816751 [0,0,0,0,0,0|3,1,0]=4 616 B14R1.863 O=Cc1cccnc1SC[C@@H](O)CO 62a_100009815848_100009816751 [0,0,0,0,0,0|3,1,0]=4 617 B14R1.863 O=Cc1cccnc1SC[C@@H](O)CO 62a_100009816751_100009815848 [0,0,0,0,0,0|3,1,0]=4 618 B14R1.863 O=Cc1ccncc1SCC(O)CO 62a_100011219619_100011934409 [0,0,0,0,0,0|3,1,0]=4 619 B14R1.863 O=Cc1ccncc1SCC(O)CO 62a_100011934409_100011219619 [0,0,0,0,0,0|3,1,0]=4 620 B14R1.863 O=Cc1ccncc1SC[C@@H](O)CO 62a_100009815848_100011934409 [0,0,0,0,0,0|3,1,0]=4 621 B14R1.863 O=Cc1ccncc1SC[C@@H](O)CO 62a_100011934409_100009815848 [0,0,0,0,0,0|3,1,0]=4 622 B14R1.863 O=Cc1cnccc1SCC(O)CO 62a_100000050567_100011219619 [0,0,0,0,0,0|3,1,0]=4 623 B14R1.863 O=Cc1cnccc1SCC(O)CO 62a_100011219619_100000050567 [0,0,0,0,0,0|3,1,0]=4 624 B14R1.863 O=Cc1cnccc1SC[C@@H](O)CO 62a_100000050567_100009815848 [0,0,0,0,0,0|3,1,0]=4 625 B14R1.863 O=Cc1cnccc1SC[C@@H](O)CO 62a_100009815848_100000050567 [0,0,0,0,0,0|3,1,0]=4 626 B14R1.863 O=Cc1ncccc1SCC(O)CO 62a_100011219619_100011934733 [0,0,0,0,0,0|3,1,0]=4 627 B14R1.863 O=Cc1ncccc1SCC(O)CO 62a_100011934733_100011219619 [0,0,0,0,0,0|3,1,0]=4 628 B14R1.863 O=Cc1ncccc1SC[C@@H](O)CO 62a_100009815848_100011934733 [0,0,0,0,0,0|3,1,0]=4 629 B14R1.863 O=Cc1ncccc1SC[C@@H](O)CO 62a_100011934733_100009815848 [0,0,0,0,0,0|3,1,0]=4 630 B14R1.863 OCC(O)COc1cccnc1CBr 34a_200020655725_100011219619 [0,0,0,0,0,0|3,0,0]=3 631 B14R1.863 OCC(O)COc1cccnc1CBr 7a_200020655725_100011219619 [0,0,0,0,0,0|3,0,0]=3 632 B14R1.863 OC[C@H](O)COc1cccnc1CBr 34a_200020655725_100009815848 [0,0,0,0,0,0|3,0,0]=3 633 B14R1.863 OC[C@H](O)COc1cccnc1CBr 7a_200020655725_100009815848 [0,0,0,0,0,0|3,0,0]=3 634 B14R1.863 OCc1ccccc1NCC(O)CO 34a_100000212039_100011219619 [0,0,0,0,0,0|3,0,0]=3 635 B14R1.863 OCc1ccccc1NC[C@@H](O)CF 34a_100000212039_100015614560 [0,0,0,0,0,0|4,0,0]=4 636 B14R1.863 OCc1ccccc1NC[C@@H](O)CO 34a_100000212039_100009815848 [0,0,0,0,0,0|3,0,0]=3 637 B14R1.863 OCc1ccccc1OCC(O)CO 34a_100011216872_100011219619 [0,0,0,0,0,0|2,0,0]=2 638 B14R1.863 OCc1ccccc1OC[C@@H](O)CF 34a_100011216872_100015614560 [0,0,0,0,0,0|3,0,0]=3 639 B14R1.863 OCc1ccccc1OC[C@@H](O)CO 34a_100011216872_100009815848 [0,0,0,0,0,0|2,0,0]=2 640 B14R1.863 OCc1ccccc1SCC(O)CO 62a_100000187465_100011219619 [0,0,0,0,0,0|2,1,0]=3 641 B14R1.863 OCc1ccccc1SCC(O)CO 62a_100011219619_100000187465 [0,0,0,0,0,0|2,1,0]=3 642 B14R1.863 OCc1ccccc1SC[C@@H](O)CF 62a_100000187465_100015614560 [0,0,0,0,0,0|3,1,0]=4 643 B14R1.863 OCc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000187465 [0,0,0,0,0,0|3,1,0]=4 644 B14R1.863 OCc1ccccc1SC[C@@H](O)CO 62a_100000187465_100009815848 [0,0,0,0,0,0|2,1,0]=3 645 B14R1.863 OCc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000187465 [0,0,0,0,0,0|2,1,0]=3 646 B14R1.863 OCc1cccnc1SCC(O)CO 62a_100000748726_100011219619 [0,0,0,0,0,0|3,1,0]=4 647 B14R1.863 OCc1cccnc1SCC(O)CO 62a_100011219619_100000748726 [0,0,0,0,0,0|3,1,0]=4 648 B14R1.863 OCc1cccnc1SC[C@@H](O)CO 62a_100000748726_100009815848 [0,0,0,0,0,0|3,1,0]=4 649 B14R1.863 OCc1cccnc1SC[C@@H](O)CO 62a_100009815848_100000748726 [0,0,0,0,0,0|3,1,0]=4 650 B14R1.863 OCc1ccncc1OCC(O)CO 34a_100000078615_100011219619 [0,0,0,0,0,0|3,0,0]=3 651 B14R1.863 OCc1ccncc1OC[C@@H](O)CF 34a_100000078615_100015614560 [0,0,0,0,0,0|4,0,0]=4 652 B14R1.863 OCc1ccncc1OC[C@@H](O)CO 34a_100000078615_100009815848 [0,0,0,0,0,0|3,0,0]=3 653 B14R1.863 OCc1ccncc1SCC(O)CO 62a_100009873359_100011219619 [0,0,0,0,0,0|3,1,0]=4 654 B14R1.863 OCc1ccncc1SCC(O)CO 62a_100011219619_100009873359 [0,0,0,0,0,0|3,1,0]=4 655 B14R1.863 OCc1ccncc1SC[C@@H](O)CO 62a_100009815848_100009873359 [0,0,0,0,0,0|3,1,0]=4 656 B14R1.863 OCc1ccncc1SC[C@@H](O)CO 62a_100009873359_100009815848 [0,0,0,0,0,0|3,1,0]=4 657 B14R1.863 OCc1cnccc1NC[C@H](O)CO 27a_100020644852_100000117392 [0,0,0,0,0,0|4,0,0]=4 658 B14R1.863 OCc1cnccc1SCC(O)CO 62a_100000117392_100011219619 [0,0,0,0,0,0|3,1,0]=4 659 B14R1.863 OCc1cnccc1SCC(O)CO 62a_100011219619_100000117392 [0,0,0,0,0,0|3,1,0]=4 660 B14R1.863 OCc1cnccc1SC[C@@H](O)CO 62a_100000117392_100009815848 [0,0,0,0,0,0|3,1,0]=4 661 B14R1.863 OCc1cnccc1SC[C@@H](O)CO 62a_100009815848_100000117392 [0,0,0,0,0,0|3,1,0]=4 662 B14R1.863 OCc1ncccc1OCC(O)CO 34a_100000731849_100011219619 [0,0,0,0,0,0|3,0,0]=3 663 B14R1.863 OCc1ncccc1OC[C@@H](O)CF 34a_100000731849_100015614560 [0,0,0,0,0,0|4,0,0]=4 664 B14R1.863 OCc1ncccc1OC[C@@H](O)CO 34a_100000731849_100009815848 [0,0,0,0,0,0|3,0,0]=3 665 B14R1.863 OCc1ncccc1SCC(O)CO 62a_100011219619_100011996772 [0,0,0,0,0,0|3,1,0]=4 666 B14R1.863 OCc1ncccc1SCC(O)CO 62a_100011996772_100011219619 [0,0,0,0,0,0|3,1,0]=4 667 B14R1.863 OCc1ncccc1SC[C@@H](O)CO 62a_100009815848_100011996772 [0,0,0,0,0,0|3,1,0]=4 668 B14R1.863 OCc1ncccc1SC[C@@H](O)CO 62a_100011996772_100009815848 [0,0,0,0,0,0|3,1,0]=4 669 B14R1.863 O[C@@H](CF)COc1cccnc1CBr 34a_200020655725_100015614560 [0,0,0,0,0,0|4,0,0]=4 670 B14R1.863 O[C@@H](CF)COc1cccnc1CBr 7a_200020655725_100015614560 [0,0,0,0,0,0|4,0,0]=4 671 B13R1.84 C#CCCNc1ccccc1OC 34a_100000210025_100000688953 [1,0,0,0,0,0|2,0,1]=4 672 B13R1.84 C#CCCOc1ccccc1CC 34a_100000210936_100000688953 [1,0,0,0,0,0|2,0,1]=4 673 B13R1.84 C#CCCOc1ccccc1CC 7a_100000210936_100000688953 [1,0,0,0,0,0|2,0,1]=4 674 B13R1.84 C#CCCOc1ccccc1NC 34a_100000033821_100000688953 [1,0,0,0,0,0|2,0,1]=4 675 B13R1.84 C#CCCOc1ccccc1OC 34a_100000210385_100000688953 [1,0,0,0,0,0|1,0,1]=3 676 B13R1.84 C#CCCOc1ccccc1SC 34a_100011216402_100000688953 [1,0,0,0,0,0|1,1,1]=4 677 B13R1.84 C#CCCOc1cccnc1OC 34a_100000698397_100000688953 [1,0,0,0,0,0|2,0,1]=4 678 B13R1.84 C#CCCOc1cccnc1OC 7a_100000698397_100000688953 [1,0,0,0,0,0|2,0,1]=4 679 B13R1.84 C#CCCOc1cnccc1OC 34a_100000101186_100000688953 [1,0,0,0,0,0|2,0,1]=4 680 B13R1.84 C#CCCOc1ncccc1OC 34a_100025773188_100000688953 [1,0,0,0,0,0|2,0,1]=4 681 B13R1.84 C#CCCSc1ccccc1OC 62a_100000210334_100000688953 [1,0,0,0,0,0|1,1,1]=4 682 B13R1.84 C#CCCSc1ccccc1OC 62a_100000688953_100000210334 [1,0,0,0,0,0|1,1,1]=4 683 B13R1.84 C#Cc1ccccc1NCCCO 34a_100011470550_100000230001 [1,0,0,0,0,0|2,0,1]=4 684 B13R1.84 C#Cc1ccccc1OCCCC 34a_200011470546_100000210210 [1,0,0,0,0,0|2,0,1]=4 685 B13R1.84 C#Cc1ccccc1OCCCC 7a_200011470546_100000210211 [1,0,0,0,0,0|2,0,1]=4 686 B13R1.84 C#Cc1ccccc1OCCCF 34a_200011470546_100011934791 [1,0,0,0,0,0|2,0,1]=4 687 B13R1.84 C#Cc1ccccc1OCCCF 7a_200011470546_100011934791 [1,0,0,0,0,0|2,0,1]=4 688 B13R1.84 C#Cc1ccccc1OCCCO 34a_200011470546_100000230001 [1,0,0,0,0,0|1,0,1]=3 689 B13R1.84 C#Cc1ccccc1OCCCO 7a_200011470546_100011215043 [1,0,0,0,0,0|1,0,1]=3 690 B13R1.84 C/C=C/COc1ccccc1OC 34a_100000210385_100102629194 [1,0,0,0,0,0|1,0,2]=4 691 B13R1.84 C=CCCNc1ccccc1OC 34a_100000210025_100000754431 [1,0,0,0,0,0|2,0,1]=4 692 B13R1.84 C=CCCOc1ccccc1CC 34a_100000210936_100000754431 [1,0,0,0,0,0|2,0,1]=4 693 B13R1.84 C=CCCOc1ccccc1CC 7a_100000210936_100000754431 [1,0,0,0,0,0|2,0,1]=4 694 B13R1.84 C=CCCOc1ccccc1NC 34a_100000033821_100000754431 [1,0,0,0,0,0|2,0,1]=4 695 B13R1.84 C=CCCOc1ccccc1OC 34a_100000210385_100000754431 [1,0,0,0,0,0|1,0,1]=3 696 B13R1.84 C=CCCOc1ccccc1SC 34a_100011216402_100000754431 [1,0,0,0,0,0|1,1,1]=4 697 B13R1.84 C=CCCOc1cccnc1OC 34a_100000698397_100000754431 [1,0,0,0,0,0|2,0,1]=4 698 B13R1.84 C=CCCOc1cccnc1OC 7a_100000698397_100000754431 [1,0,0,0,0,0|2,0,1]=4 699 B13R1.84 C=CCCOc1cnccc1OC 34a_100000101186_100000754431 [1,0,0,0,0,0|2,0,1]=4 700 B13R1.84 C=CCCOc1ncccc1OC 34a_100025773188_100000754431 [1,0,0,0,0,0|2,0,1]=4 701 B13R1.84 C=CCCSc1ccccc1OC 62a_100000210334_100000754431 [1,0,0,0,0,0|1,1,1]=4 702 B13R1.84 C=CCCSc1ccccc1OC 62a_100000754431_100000210334 [1,0,0,0,0,0|1,1,1]=4 703 B13R1.84 C=Cc1ccccc1CCCCO 271570a_100011290941_100012092669 [1,0,0,0,0,0|2,0,1]=4 704 B13R1.84 C=Cc1ccccc1NCCCO 34a_100012022501_100000230001 [1,0,0,0,0,0|2,0,1]=4 705 B13R1.84 C=Cc1ccccc1OCCCC 271570a_100011290941_100000230755 [1,0,0,0,0,0|2,0,1]=4 706 B13R1.84 C=Cc1ccccc1SCCCO 62a_100011215043_100011218376 [1,0,0,0,0,0|1,1,1]=4 707 B13R1.84 C=Cc1ccccc1SCCCO 62a_100011218376_100011215043 [1,0,0,0,0,0|1,1,1]=4 708 B13R1.84 CC#CCOc1ccccc1OC 34a_100000210385_100000748600 [1,0,0,0,0,0|1,0,2]=4 709 B13R1.84 CC=CCOc1ccccc1OC 34a_100000210385_100000070051 [1,0,0,0,0,0|1,0,2]=4 710 B13R1.84 CCCC=Cc1ccccc1OC 271570a_100016258520_100000174000 [1,0,0,0,0,0|2,0,1]=4 711 B13R1.84 CCCCNc1ccccc1CC 2230a_100000212081_100000210211 [1,0,0,0,0,0|3,0,0]=4 712 B13R1.84 CCCCNc1ccccc1CC 34a_100000212081_100000210210 [1,0,0,0,0,0|3,0,0]=4 713 B13R1.84 CCCCNc1ccccc1CC 7a_100000212081_100000210211 [1,0,0,0,0,0|3,0,0]=4 714 B13R1.84 CCCCNc1ccccc1OC 34a_100000210025_100000210210 [1,0,0,0,0,0|2,0,0]=3 715 B13R1.84 CCCCNc1ccccc1SC 34a_100000211160_100000210210 [1,0,0,0,0,0|2,1,0]=4 716 B13R1.84 CCCCOc1ccccc1C#N 34a_100000211048_100000210210 [1,0,0,0,0,0|3,0,0]=4 717 B13R1.84 CCCCOc1ccccc1C#N 7a_100000211048_100000210211 [1,0,0,0,0,0|3,0,0]=4 718 B13R1.84 CCCCOc1ccccc1CC 34a_100000210936_100000210210 [1,0,0,0,0,0|2,0,0]=3 719 B13R1.84 CCCCOc1ccccc1CC 7a_100000210936_100000210211 [1,0,0,0,0,0|2,0,0]=3 720 B13R1.84 CCCCOc1ccccc1CN 34a_100000185550_100000210210 [1,0,0,0,0,0|3,0,0]=4 721 B13R1.84 CCCCOc1ccccc1CO 34a_100011216872_100000210210 [1,0,0,0,0,0|3,0,0]=4 722 B13R1.84 CCCCOc1ccccc1NC 2230a_100000743494_200000210301 [1,0,0,0,0,0|2,0,0]=3 723 B13R1.84 CCCCOc1ccccc1NC 34a_100000033821_100000210210 [1,0,0,0,0,0|2,0,0]=3 724 B13R1.84 CCCCOc1ccccc1NC 34a_100000743494_200000210301 [1,0,0,0,0,0|2,0,0]=3 725 B13R1.84 CCCCOc1ccccc1N[13CH3] 2230a_100000743494_200025704644 [1,0,0,0,0,0|2,0,0]=3 726 B13R1.84 CCCCOc1ccccc1N[13CH3] 34a_100000743494_200025704644 [1,0,0,0,0,0|2,0,0]=3 727 B13R1.84 CCCCOc1ccccc1OC 34a_100000210385_100000210210 [1,0,0,0,0,0|1,0,0]=2 728 B13R1.84 CCCCOc1ccccc1SC 34a_100011216402_100000210210 [1,0,0,0,0,0|1,1,0]=3 729 B13R1.84 CCCCOc1ccccc1SC 62a_100000230755_200000210301 [1,0,0,0,0,0|1,1,0]=3 730 B13R1.84 CCCCOc1ccccc1SC 62a_200000210301_100000230755 [1,0,0,0,0,0|1,1,0]=3 731 B13R1.84 CCCCOc1ccccc1S[13CH3] 62a_100000230755_200025704644 [1,0,0,0,0,0|1,1,0]=3 732 B13R1.84 CCCCOc1ccccc1S[13CH3] 62a_200025704644_100000230755 [1,0,0,0,0,0|1,1,0]=3 733 B13R1.84 CCCCOc1cccnc1OC 34a_100000698397_100000210210 [1,0,0,0,0,0|2,0,0]=3 734 B13R1.84 CCCCOc1cccnc1OC 7a_100000698397_100000210211 [1,0,0,0,0,0|2,0,0]=3 735 B13R1.84 CCCCOc1cnccc1OC 34a_100000101186_100000210210 [1,0,0,0,0,0|2,0,0]=3 736 B13R1.84 CCCCOc1ncccc1OC 34a_100025773188_100000210210 [1,0,0,0,0,0|2,0,0]=3 737 B13R1.84 CCCCSc1ccccc1CC 62a_100000210211_100011215823 [1,0,0,0,0,0|2,1,0]=4 738 B13R1.84 CCCCSc1ccccc1CC 62a_100011215823_100000210210 [1,0,0,0,0,0|2,1,0]=4 739 B13R1.84 CCCCSc1ccccc1NC 62a_100000210211_100020606079 [1,0,0,0,0,0|2,1,0]=4 740 B13R1.84 CCCCSc1ccccc1NC 62a_100020606079_100000210210 [1,0,0,0,0,0|2,1,0]=4 741 B13R1.84 CCCCSc1ccccc1OC 62a_100000210211_100000210334 [1,0,0,0,0,0|1,1,0]=3 742 B13R1.84 CCCCSc1ccccc1OC 62a_100000210334_100000210210 [1,0,0,0,0,0|1,1,0]=3 743 B13R1.84 CCCCSc1ccccc1SC 62a_100000210211_100011217816 [1,0,0,0,0,0|1,2,0]=4 744 B13R1.84 CCCCSc1ccccc1SC 62a_100011217816_100000210210 [1,0,0,0,0,0|1,2,0]=4 745 B13R1.84 CCCCSc1cccnc1OC 62a_100000047025_100000210210 [1,0,0,0,0,0|2,1,0]=4 746 B13R1.84 CCCCSc1cccnc1OC 62a_100000210211_100000047025 [1,0,0,0,0,0|2,1,0]=4 747 B13R1.84 CCCCSc1ccncc1OC 62a_100000210211_100016988167 [1,0,0,0,0,0|2,1,0]=4 748 B13R1.84 CCCCSc1ccncc1OC 62a_100016988167_100000210210 [1,0,0,0,0,0|2,1,0]=4 749 B13R1.84 CCCCSc1cnccc1OC 62a_100000210211_100011997281 [1,0,0,0,0,0|2,1,0]=4 750 B13R1.84 CCCCSc1cnccc1OC 62a_100011997281_100000210210 [1,0,0,0,0,0|2,1,0]=4 751 B13R1.84 CCCCSc1ncccc1OC 62a_100000210211_100000690851 [1,0,0,0,0,0|2,1,0]=4 752 B13R1.84 CCCCSc1ncccc1OC 62a_100000767102_100000210210 [1,0,0,0,0,0|2,1,0]=4 753 B13R1.84 CCCNCc1ccccc1OC 207a_100020643023_100000169842 [1,0,0,0,0,0|3,0,0]=4 754 B13R1.84 CCCNCc1ccccc1OC 270004a_100020643023_100000169842 [1,0,0,0,0,0|3,0,0]=4 755 B13R1.84 CCCNCc1ccccc1OC 34a_100000188900_100000210303 [1,0,0,0,0,0|3,0,0]=4 756 B13R1.84 CCCNCc1ccccc1OC 34a_100000749093_200000210301 [1,0,0,0,0,0|3,0,0]=4 757 B13R1.84 CCCNCc1ccccc1O[13CH3] 34a_100000749093_200025704644 [1,0,0,0,0,0|3,0,0]=4 758 B13R1.84 CCCOCc1ccccc1OC 34a_100000210258_100000210004 [1,0,0,0,0,0|3,0,0]=4 759 B13R1.84 CCCOCc1ccccc1OC 34a_100000211301_100000210303 [1,0,0,0,0,0|3,0,0]=4 760 B13R1.84 CCCSCc1ccccc1OC 62a_100000210004_100000210303 [1,0,0,0,0,0|3,0,0]=4 761 B13R1.84 CCCSCc1ccccc1OC 62a_100000210303_100000210004 [1,0,0,0,0,0|3,0,0]=4 762 B13R1.84 CCNCCc1ccccc1OC 2230a_100000211851_100000210202 [1,0,0,0,0,0|3,0,0]=4 763 B13R1.84 CCNCCc1ccccc1OC 2230a_100015525214_100011713687 [1,0,0,0,0,0|3,0,0]=4 764 B13R1.84 CCNCCc1ccccc1OC 270004a_100015525214_100011713418 [1,0,0,0,0,0|3,0,0]=4 765 B13R1.84 CCNCCc1ccccc1OC 34a_100000211851_100000210202 [1,0,0,0,0,0|3,0,0]=4 766 B13R1.84 CCOCCc1ccccc1OC 34a_100011218620_100000210202 [1,0,0,0,0,0|3,0,0]=4 767 B13R1.84 CCOCCc1ccccc1OC 34a_100121572206_100011713687 [1,0,0,0,0,0|3,0,0]=4 768 B13R1.84 CCOCCc1ccccc1OC 7a_100011218620_100000210202 [1,0,0,0,0,0|3,0,0]=4 769 B13R1.84 CCOCSc1ccccc1OC 62a_100000210334_100000739092 [1,0,0,0,0,0|2,1,0]=4 770 B13R1.84 CCOCSc1ccccc1OC 62a_100000739092_100000210334 [1,0,0,0,0,0|2,1,0]=4 771 B13R1.84 CCSCCc1ccccc1OC 62a_100000210202_100011713687 [1,0,0,0,0,0|3,0,0]=4 772 B13R1.84 CCSCCc1ccccc1OC 62a_100011713687_100000210202 [1,0,0,0,0,0|3,0,0]=4 773 B13R1.84 CCc1ccccc1CNCCO 207a_100000210304_100011219594 [1,0,0,0,0,0|3,0,0]=4 774 B13R1.84 CCc1ccccc1CNCCO 270004a_100000210304_100011219594 [1,0,0,0,0,0|3,0,0]=4 775 B13R1.84 CCc1ccccc1COCCO 34a_100011663872_100000211926 [1,0,0,0,0,0|3,0,0]=4 776 B13R1.84 CCc1ccccc1COCCO 7a_100011663872_100000211926 [1,0,0,0,0,0|3,0,0]=4 777 B13R1.84 CCc1ccccc1NCCCF 2230a_100000212081_100011934791 [1,0,0,0,0,0|3,0,0]=4 778 B13R1.84 CCc1ccccc1NCCCF 34a_100000212081_100011934791 [1,0,0,0,0,0|3,0,0]=4 779 B13R1.84 CCc1ccccc1NCCCF 7a_100000212081_100011934791 [1,0,0,0,0,0|3,0,0]=4 780 B13R1.84 CCc1ccccc1NCCCO 2230a_100000212081_100000230001 [1,0,0,0,0,0|2,0,0]=3 781 B13R1.84 CCc1ccccc1NCCCO 34a_100000212081_100000230001 [1,0,0,0,0,0|2,0,0]=3 782 B13R1.84 CCc1ccccc1NCCCO 7a_100000212081_100011215043 [1,0,0,0,0,0|2,0,0]=3 783 B13R1.84 CCc1ccccc1OCCC#N 7a_100000210936_100000184422 [1,0,0,0,0,0|2,0,1]=4 784 B13R1.84 CCc1ccccc1OCCCF 34a_100000210936_100011934791 [1,0,0,0,0,0|2,0,0]=3 785 B13R1.84 CCc1ccccc1OCCCF 7a_100000210936_100011934791 [1,0,0,0,0,0|2,0,0]=3 786 B13R1.84 CCc1ccccc1OCCCO 34a_100000210936_100000230001 [1,0,0,0,0,0|1,0,0]=2 787 B13R1.84 CCc1ccccc1OCCCO 7a_100000210936_100011215043 [1,0,0,0,0,0|1,0,0]=2 788 B13R1.84 CCc1ccccc1OCCOC 34a_100000210936_100011201679 [1,0,0,0,0,0|3,0,0]=4 789 B13R1.84 CCc1ccccc1OCCOC 7a_100000210936_100000233755 [1,0,0,0,0,0|3,0,0]=4 790 B13R1.84 CCc1ccccc1OCCSC 34a_100000210936_100000212216 [1,0,0,0,0,0|3,0,0]=4 791 B13R1.84 CCc1ccccc1OCCSC 7a_100000210936_100000212216 [1,0,0,0,0,0|3,0,0]=4 792 B13R1.84 CCc1ccccc1SCCCF 62a_100011215823_100011934791 [1,0,0,0,0,0|2,1,0]=4 793 B13R1.84 CCc1ccccc1SCCCF 62a_100011934791_100011215823 [1,0,0,0,0,0|2,1,0]=4 794 B13R1.84 CCc1ccccc1SCCCO 62a_100011215043_100011215823 [1,0,0,0,0,0|1,1,0]=3 795 B13R1.84 CCc1ccccc1SCCCO 62a_100011215823_100011215043 [1,0,0,0,0,0|1,1,0]=3 796 B13R1.84 CCc1ccncc1SCCCO 62a_100009819861_100011215043 [1,0,0,0,0,0|2,1,0]=4 797 B13R1.84 CCc1ccncc1SCCCO 62a_100011215043_100009819861 [1,0,0,0,0,0|2,1,0]=4 798 B13R1.84 CCc1cnccc1SCCCO 62a_100011215043_100025704421 [1,0,0,0,0,0|2,1,0]=4 799 B13R1.84 CCc1cnccc1SCCCO 62a_100025704421_100011215043 [1,0,0,0,0,0|2,1,0]=4 800 B13R1.84 CCc1ncccc1SCCCO 62a_100009877225_100011215043 [1,0,0,0,0,0|2,1,0]=4 801 B13R1.84 CCc1ncccc1SCCCO 62a_100011215043_100009877225 [1,0,0,0,0,0|2,1,0]=4 802 B13R1.84 CNCCCc1ccccc1OC 270004a_106832991635_100011713476 [1,0,0,0,0,0|3,0,0]=4 803 B13R1.84 CNCCOc1ccccc1OC 2230a_100000683763_200000210301 [1,0,0,0,0,0|2,0,0]=3 804 B13R1.84 CNCCOc1ccccc1OC 2230a_106832991635_100000188471 [1,0,0,0,0,0|2,0,0]=3 805 B13R1.84 CNCCOc1ccccc1OC 34a_100000683763_200000210301 [1,0,0,0,0,0|2,0,0]=3 806 B13R1.84 CNCCOc1ccccc1OC 34a_100102657272_100000188471 [1,0,0,0,0,0|2,0,0]=3 807 B13R1.84 CNCCOc1ccccc1OC 7a_106832991635_100000188471 [1,0,0,0,0,0|2,0,0]=3 808 B13R1.84 CNCCOc1ccccc1SC 2230a_100011893647_200000210301 [1,0,0,0,0,0|2,1,0]=4 809 B13R1.84 CNCCOc1ccccc1SC 34a_100011893647_200000210301 [1,0,0,0,0,0|2,1,0]=4 810 B13R1.84 CNc1ccccc1OCCCF 34a_100000033821_100011934791 [1,0,0,0,0,0|2,0,0]=3 811 B13R1.84 CNc1ccccc1OCCCO 34a_100000033821_100000230001 [1,0,0,0,0,0|1,0,0]=2 812 B13R1.84 CNc1ccccc1OCCOC 34a_100000033821_100011201679 [1,0,0,0,0,0|3,0,0]=4 813 B13R1.84 CNc1ccccc1OCCOC 34a_100000744978_200000210301 [1,0,0,0,0,0|3,0,0]=4 814 B13R1.84 CNc1ccccc1OCCSC 34a_100000033821_100000212216 [1,0,0,0,0,0|3,0,0]=4 815 B13R1.84 CNc1ccccc1SCCCF 62a_100011934791_100020606079 [1,0,0,0,0,0|2,1,0]=4 816 B13R1.84 CNc1ccccc1SCCCF 62a_100020606079_100011934791 [1,0,0,0,0,0|2,1,0]=4 817 B13R1.84 CNc1ccccc1SCCCO 62a_100011215043_100020606079 [1,0,0,0,0,0|1,1,0]=3 818 B13R1.84 CNc1ccccc1SCCCO 62a_100020606079_100011215043 [1,0,0,0,0,0|1,1,0]=3 819 B13R1.84 CNc1cccnc1SCCCO 62a_100011215043_200011806188 [1,0,0,0,0,0|2,1,0]=4 820 B13R1.84 CNc1ccncc1SCCCO 62a_100010069531_100011215043 [1,0,0,0,0,0|2,1,0]=4 821 B13R1.84 CNc1ccncc1SCCCO 62a_100011215043_100010069531 [1,0,0,0,0,0|2,1,0]=4 822 B13R1.84 CNc1ncccc1SCCCO 62a_100000700899_100011215043 [1,0,0,0,0,0|2,1,0]=4 823 B13R1.84 CNc1ncccc1SCCCO 62a_100011215043_100000700899 [1,0,0,0,0,0|2,1,0]=4 824 B13R1.84 COCCCc1ccccc1OC 34a_100011709264_200000210301 [1,0,0,0,0,0|3,0,0]=4 825 B13R1.84 COCCCc1ccccc1OC 7a_100011709264_200000210301 [1,0,0,0,0,0|3,0,0]=4 826 B13R1.84 COCCNc1ccccc1OC 34a_100000210025_100011201679 [1,0,0,0,0,0|3,0,0]=4 827 B13R1.84 COCCOc1ccccc1N[13CH3] 34a_100000744978_200025704644 [1,0,0,0,0,0|3,0,0]=4 828 B13R1.84 COCCOc1ccccc1OC 34a_100000210385_100011201679 [1,0,0,0,0,0|2,0,0]=3 829 B13R1.84 COCCOc1ccccc1OC 34a_100138415774_100000188471 [1,0,0,0,0,0|2,0,0]=3 830 B13R1.84 COCCOc1ccccc1SC 34a_100011216402_100011201679 [1,0,0,0,0,0|2,1,0]=4 831 B13R1.84 COCCOc1ccccc1SC 62a_100000234100_200000210301 [1,0,0,0,0,0|2,1,0]=4 832 B13R1.84 COCCOc1ccccc1SC 62a_200000210301_100000234100 [1,0,0,0,0,0|2,1,0]=4 833 B13R1.84 COCCOc1ccccc1S[13CH3] 62a_100000234100_200025704644 [1,0,0,0,0,0|2,1,0]=4 834 B13R1.84 COCCOc1ccccc1S[13CH3] 62a_200025704644_100000234100 [1,0,0,0,0,0|2,1,0]=4 835 B13R1.84 COCCOc1cccnc1OC 34a_100000698397_100011201679 [1,0,0,0,0,0|3,0,0]=4 836 B13R1.84 COCCOc1cccnc1OC 7a_100000698397_100000233755 [1,0,0,0,0,0|3,0,0]=4 837 B13R1.84 COCCOc1cnccc1OC 34a_100000101186_100011201679 [1,0,0,0,0,0|3,0,0]=4 838 B13R1.84 COCCOc1ncccc1OC 34a_100025773188_100011201679 [1,0,0,0,0,0|3,0,0]=4 839 B13R1.84 COCCSc1ccccc1OC 62a_100000210334_100000233755 [1,0,0,0,0,0|2,1,0]=4 840 B13R1.84 COCCSc1ccccc1OC 62a_100000233755_100000210334 [1,0,0,0,0,0|2,1,0]=4 841 B13R1.84 COCCSc1ccccc1OC 7a_200011448452_200000210301 [1,0,0,0,0,0|2,1,0]=4 842 B13R1.84 COc1ccccc1CCCO[13CH3] 34a_100011709264_200025704644 [1,0,0,0,0,0|3,0,0]=4 843 B13R1.84 COc1ccccc1CCCO[13CH3] 7a_100011709264_200025704644 [1,0,0,0,0,0|3,0,0]=4 844 B13R1.84 COc1ccccc1CCNCF 34a_100000211851_100015361967 [1,0,0,0,0,0|3,0,0]=4 845 B13R1.84 COc1ccccc1CCOCF 34a_100011218620_100015361967 [1,0,0,0,0,0|3,0,0]=4 846 B13R1.84 COc1ccccc1CCOCF 7a_100011218620_100015361967 [1,0,0,0,0,0|3,0,0]=4 847 B13R1.84 COc1ccccc1CCSCF 62a_100011713687_100015361967 [1,0,0,0,0,0|3,0,0]=4 848 B13R1.84 COc1ccccc1CCSCF 62a_100015361967_100011713687 [1,0,0,0,0,0|3,0,0]=4 849 B13R1.84 COc1ccccc1CNCCF 34a_100000188900_100011217306 [1,0,0,0,0,0|3,0,0]=4 850 B13R1.84 COc1ccccc1CNCCF 34a_100000724931_100000210004 [1,0,0,0,0,0|3,0,0]=4 851 B13R1.84 COc1ccccc1CNCCO 207a_100000210304_100000169842 [1,0,0,0,0,0|2,0,0]=3 852 B13R1.84 COc1ccccc1CNCCO 2230a_100016997473_100000210004 [1,0,0,0,0,0|2,0,0]=3 853 B13R1.84 COc1ccccc1CNCCO 270004a_100000210304_100000169842 [1,0,0,0,0,0|2,0,0]=3 854 B13R1.84 COc1ccccc1CNCCO 34a_100000188900_100000211926 [1,0,0,0,0,0|2,0,0]=3 855 B13R1.84 COc1ccccc1CNCCO 34a_100016990907_100000210004 [1,0,0,0,0,0|2,0,0]=3 856 B13R1.84 COc1ccccc1COCCBr 34a_100000211926_100000210004 [1,0,0,0,0,0|3,0,0]=4 857 B13R1.84 COc1ccccc1COCCF 34a_100000211301_100011217306 [1,0,0,0,0,0|3,0,0]=4 858 B13R1.84 COc1ccccc1COCCN 34a_100000210304_100000210004 [1,0,0,0,0,0|3,0,0]=4 859 B13R1.84 COc1ccccc1COCCO 34a_100000211301_100000211926 [1,0,0,0,0,0|2,0,0]=3 860 B13R1.84 COc1ccccc1CSCCF 62a_100000210004_100011217306 [1,0,0,0,0,0|3,0,0]=4 861 B13R1.84 COc1ccccc1CSCCF 62a_100011217306_100000210004 [1,0,0,0,0,0|3,0,0]=4 862 B13R1.84 COc1ccccc1CSCCO 62a_100000210004_100000211926 [1,0,0,0,0,0|2,0,0]=3 863 B13R1.84 COc1ccccc1CSCCO 62a_100000211926_100000210004 [1,0,0,0,0,0|2,0,0]=3 864 B13R1.84 COc1ccccc1NCCCF 34a_100000210025_100011934791 [1,0,0,0,0,0|2,0,0]=3 865 B13R1.84 COc1ccccc1NCCCO 34a_100000210025_100000230001 [1,0,0,0,0,0|1,0,0]=2 866 B13R1.84 COc1ccccc1NCCSC 34a_100000210025_100000212216 [1,0,0,0,0,0|3,0,0]=4 867 B13R1.84 COc1ccccc1OCCCF 34a_100000210385_100011934791 [1,0,0,0,0,0|1,0,0]=2 868 B13R1.84 COc1ccccc1OCCCO 34a_100000210385_100000230001 [1,0,0,0,0,0|0,0,0]=1 869 B13R1.84 COc1ccccc1OCCN[13CH3] 2230a_100000683763_200025704644 [1,0,0,0,0,0|2,0,0]=3 870 B13R1.84 COc1ccccc1OCCN[13CH3] 34a_100000683763_200025704644 [1,0,0,0,0,0|2,0,0]=3 871 B13R1.84 COc1ccccc1OCCSC 34a_100000210385_100000212216 [1,0,0,0,0,0|2,0,0]=3 872 B13R1.84 COc1ccccc1OCCSC 62a_100000188471_200000210301 [1,0,0,0,0,0|2,0,0]=3 873 B13R1.84 COc1ccccc1OCCSC 62a_200000210301_100000188471 [1,0,0,0,0,0|2,0,0]=3 874 B13R1.84 COc1ccccc1OCCS[13CH3] 62a_100000188471_200025704644 [1,0,0,0,0,0|2,0,0]=3 875 B13R1.84 COc1ccccc1OCCS[13CH3] 62a_200025704644_100000188471 [1,0,0,0,0,0|2,0,0]=3 876 B13R1.84 COc1ccccc1SCCC#N 62a_100000210334_100011215226 [1,0,0,0,0,0|1,1,1]=4 877 B13R1.84 COc1ccccc1SCCC#N 62a_100011215226_100000210334 [1,0,0,0,0,0|1,1,1]=4 878 B13R1.84 COc1ccccc1SCCCF 62a_100000210334_100011934791 [1,0,0,0,0,0|1,1,0]=3 879 B13R1.84 COc1ccccc1SCCCF 62a_100011934791_100000210334 [1,0,0,0,0,0|1,1,0]=3 880 B13R1.84 COc1ccccc1SCCCO 62a_100000210334_100011215043 [1,0,0,0,0,0|0,1,0]=2 881 B13R1.84 COc1ccccc1SCCCO 62a_100011215043_100000210334 [1,0,0,0,0,0|0,1,0]=2 882 B13R1.84 COc1ccccc1SCCO[13CH3] 7a_200011448452_200025704644 [1,0,0,0,0,0|2,1,0]=4 883 B13R1.84 COc1ccccc1SCCSC 62a_100000210334_100000751147 [1,0,0,0,0,0|2,1,0]=4 884 B13R1.84 COc1ccccc1SCCSC 62a_100000212216_100000210334 [1,0,0,0,0,0|2,1,0]=4 885 B13R1.84 COc1cccnc1CNCCO 207a_100000210304_100011912573 [1,0,0,0,0,0|3,0,0]=4 886 B13R1.84 COc1cccnc1CNCCO 270004a_100000210304_100011912573 [1,0,0,0,0,0|3,0,0]=4 887 B13R1.84 COc1cccnc1COCCO 34a_100011998681_100000211926 [1,0,0,0,0,0|3,0,0]=4 888 B13R1.84 COc1cccnc1OCCCF 34a_100025773188_100011934791 [1,0,0,0,0,0|2,0,0]=3 889 B13R1.84 COc1cccnc1OCCCO 34a_100025773188_100000230001 [1,0,0,0,0,0|1,0,0]=2 890 B13R1.84 COc1cccnc1OCCSC 34a_100025773188_100000212216 [1,0,0,0,0,0|3,0,0]=4 891 B13R1.84 COc1cccnc1SCCCF 62a_100000767102_100011934791 [1,0,0,0,0,0|2,1,0]=4 892 B13R1.84 COc1cccnc1SCCCF 62a_100011934791_100000690851 [1,0,0,0,0,0|2,1,0]=4 893 B13R1.84 COc1cccnc1SCCCO 62a_100000767102_100011215043 [1,0,0,0,0,0|1,1,0]=3 894 B13R1.84 COc1cccnc1SCCCO 62a_100011215043_100000690851 [1,0,0,0,0,0|1,1,0]=3 895 B13R1.84 COc1ccncc1CNCCO 207a_100000210304_200011997045 [1,0,0,0,0,0|3,0,0]=4 896 B13R1.84 COc1ccncc1CNCCO 270004a_100000210304_200011997045 [1,0,0,0,0,0|3,0,0]=4 897 B13R1.84 COc1ccncc1OCCCF 34a_100000101186_100011934791 [1,0,0,0,0,0|2,0,0]=3 898 B13R1.84 COc1ccncc1OCCCO 34a_100000101186_100000230001 [1,0,0,0,0,0|1,0,0]=2 899 B13R1.84 COc1ccncc1OCCSC 34a_100000101186_100000212216 [1,0,0,0,0,0|3,0,0]=4 900 B13R1.84 COc1ccncc1SCCCF 62a_100011934791_100011997281 [1,0,0,0,0,0|2,1,0]=4 901 B13R1.84 COc1ccncc1SCCCF 62a_100011997281_100011934791 [1,0,0,0,0,0|2,1,0]=4 902 B13R1.84 COc1ccncc1SCCCO 62a_100011215043_100011997281 [1,0,0,0,0,0|1,1,0]=3 903 B13R1.84 COc1ccncc1SCCCO 62a_100011997281_100011215043 [1,0,0,0,0,0|1,1,0]=3 904 B13R1.84 COc1cnccc1CNCCO 207a_100000210304_100011361505 [1,0,0,0,0,0|3,0,0]=4 905 B13R1.84 COc1cnccc1CNCCO 2230a_100016997473_100020635607 [1,0,0,0,0,0|3,0,0]=4 906 B13R1.84 COc1cnccc1CNCCO 270004a_100000210304_100011361505 [1,0,0,0,0,0|3,0,0]=4 907 B13R1.84 COc1cnccc1CSCCO 62a_100000211926_100020635607 [1,0,0,0,0,0|3,0,0]=4 908 B13R1.84 COc1cnccc1CSCCO 62a_100020635607_100000211926 [1,0,0,0,0,0|3,0,0]=4 909 B13R1.84 COc1cnccc1SCCCF 62a_100011934791_100016988167 [1,0,0,0,0,0|2,1,0]=4 910 B13R1.84 COc1cnccc1SCCCF 62a_100016988167_100011934791 [1,0,0,0,0,0|2,1,0]=4 911 B13R1.84 COc1cnccc1SCCCO 62a_100011215043_100016988167 [1,0,0,0,0,0|1,1,0]=3 912 B13R1.84 COc1cnccc1SCCCO 62a_100016988167_100011215043 [1,0,0,0,0,0|1,1,0]=3 913 B13R1.84 COc1cncnc1NCCCO 27a_100000182051_100012001275 [1,0,0,0,0,0|3,0,0]=4 914 B13R1.84 COc1cncnc1SCCCO 62a_100011215043_100012001275 [1,0,0,0,0,0|2,1,0]=4 915 B13R1.84 COc1cncnc1SCCCO 62a_100012001275_100011215043 [1,0,0,0,0,0|2,1,0]=4 916 B13R1.84 COc1ncccc1CNCCO 207a_100000210304_100011290804 [1,0,0,0,0,0|3,0,0]=4 917 B13R1.84 COc1ncccc1CNCCO 2230a_100016997473_100020631285 [1,0,0,0,0,0|3,0,0]=4 918 B13R1.84 COc1ncccc1CNCCO 270004a_100000210304_100011290804 [1,0,0,0,0,0|3,0,0]=4 919 B13R1.84 COc1ncccc1CNCCO 34a_100016990907_100020631285 [1,0,0,0,0,0|3,0,0]=4 920 B13R1.84 COc1ncccc1COCCO 34a_100000717863_100000211926 [1,0,0,0,0,0|3,0,0]=4 921 B13R1.84 COc1ncccc1CSCCO 62a_100000211926_100020631285 [1,0,0,0,0,0|3,0,0]=4 922 B13R1.84 COc1ncccc1CSCCO 62a_100020631285_100000211926 [1,0,0,0,0,0|3,0,0]=4 923 B13R1.84 COc1ncccc1OCCC#N 7a_100000698397_100000184422 [1,0,0,0,0,0|2,0,1]=4 924 B13R1.84 COc1ncccc1OCCCF 34a_100000698397_100011934791 [1,0,0,0,0,0|2,0,0]=3 925 B13R1.84 COc1ncccc1OCCCF 7a_100000698397_100011934791 [1,0,0,0,0,0|2,0,0]=3 926 B13R1.84 COc1ncccc1OCCCO 34a_100000698397_100000230001 [1,0,0,0,0,0|1,0,0]=2 927 B13R1.84 COc1ncccc1OCCCO 7a_100000698397_100011215043 [1,0,0,0,0,0|1,0,0]=2 928 B13R1.84 COc1ncccc1OCCSC 34a_100000698397_100000212216 [1,0,0,0,0,0|3,0,0]=4 929 B13R1.84 COc1ncccc1OCCSC 7a_100000698397_100000212216 [1,0,0,0,0,0|3,0,0]=4 930 B13R1.84 COc1ncccc1SCCCF 62a_100000047025_100011934791 [1,0,0,0,0,0|2,1,0]=4 931 B13R1.84 COc1ncccc1SCCCF 62a_100011934791_100000047025 [1,0,0,0,0,0|2,1,0]=4 932 B13R1.84 COc1ncccc1SCCCO 62a_100000047025_100011215043 [1,0,0,0,0,0|1,1,0]=3 933 B13R1.84 COc1ncccc1SCCCO 62a_100011215043_100000047025 [1,0,0,0,0,0|1,1,0]=3 934 B13R1.84 COc1nccnc1NCCCO 27a_100000182051_100009858322 [1,0,0,0,0,0|3,0,0]=4 935 B13R1.84 COc1nccnc1SCCCO 62a_100009858322_100011215043 [1,0,0,0,0,0|2,1,0]=4 936 B13R1.84 COc1nccnc1SCCCO 62a_100011215043_100000749998 [1,0,0,0,0,0|2,1,0]=4 937 B13R1.84 COc1ncncc1SCCCO 62a_100000719902_100011215043 [1,0,0,0,0,0|2,1,0]=4 938 B13R1.84 COc1ncncc1SCCCO 62a_100011215043_100000719902 [1,0,0,0,0,0|2,1,0]=4 939 B13R1.84 CSCCOc1ccccc1SC 34a_100011216402_100000212216 [1,0,0,0,0,0|2,1,0]=4 940 B13R1.84 CSc1ccccc1CCCCO 62a_100012092669_200000210301 [1,0,0,0,0,0|1,1,0]=3 941 B13R1.84 CSc1ccccc1CCCCO 62a_200000210301_100012092669 [1,0,0,0,0,0|1,1,0]=3 942 B13R1.84 CSc1ccccc1CNCCO 207a_100000210304_100011217347 [1,0,0,0,0,0|2,1,0]=4 943 B13R1.84 CSc1ccccc1CNCCO 2230a_100016997473_100000699184 [1,0,0,0,0,0|2,1,0]=4 944 B13R1.84 CSc1ccccc1CNCCO 270004a_100000210304_100011217347 [1,0,0,0,0,0|2,1,0]=4 945 B13R1.84 CSc1ccccc1CNCCO 34a_100016990907_100000699184 [1,0,0,0,0,0|2,1,0]=4 946 B13R1.84 CSc1ccccc1CNCCO 34a_102495365025_100000211926 [1,0,0,0,0,0|2,1,0]=4 947 B13R1.84 CSc1ccccc1CNCCO 62a_106744479749_200000210301 [1,0,0,0,0,0|2,1,0]=4 948 B13R1.84 CSc1ccccc1CNCCO 62a_200000210301_106744479749 [1,0,0,0,0,0|2,1,0]=4 949 B13R1.84 CSc1ccccc1COCCO 34a_100000699167_100000211926 [1,0,0,0,0,0|2,1,0]=4 950 B13R1.84 CSc1ccccc1CSCCO 62a_100000211926_100000699184 [1,0,0,0,0,0|2,1,0]=4 951 B13R1.84 CSc1ccccc1CSCCO 62a_100000699184_100000211926 [1,0,0,0,0,0|2,1,0]=4 952 B13R1.84 CSc1ccccc1NCCCF 34a_100000211160_100011934791 [1,0,0,0,0,0|2,1,0]=4 953 B13R1.84 CSc1ccccc1NCCCO 34a_100000211160_100000230001 [1,0,0,0,0,0|1,1,0]=3 954 B13R1.84 CSc1ccccc1OCCCF 34a_100011216402_100011934791 [1,0,0,0,0,0|1,1,0]=3 955 B13R1.84 CSc1ccccc1OCCCO 34a_100011216402_100000230001 [1,0,0,0,0,0|0,1,0]=2 956 B13R1.84 CSc1ccccc1OCCN[13CH3] 2230a_100011893647_200025704644 [1,0,0,0,0,0|2,1,0]=4 957 B13R1.84 CSc1ccccc1OCCN[13CH3] 34a_100011893647_200025704644 [1,0,0,0,0,0|2,1,0]=4 958 B13R1.84 CSc1ccccc1SCCCF 62a_100011217816_100011934791 [1,0,0,0,0,0|1,2,0]=4 959 B13R1.84 CSc1ccccc1SCCCF 62a_100011934791_100011217816 [1,0,0,0,0,0|1,2,0]=4 960 B13R1.84 CSc1ccccc1SCCCO 62a_100011215043_100011217816 [1,0,0,0,0,0|0,2,0]=3 961 B13R1.84 CSc1ccccc1SCCCO 62a_100011217816_100011215043 [1,0,0,0,0,0|0,2,0]=3 962 B13R1.84 CSc1ncccc1SCCCO 62a_100011215043_100011465278 [1,0,0,0,0,0|1,2,0]=4 963 B13R1.84 CSc1ncccc1SCCCO 62a_100011465278_100011215043 [1,0,0,0,0,0|1,2,0]=4 964 B13R1.84 N#Cc1ccccc1NCCCO 34a_100000211148_100000230001 [1,0,0,0,0,0|3,0,0]=4 965 B13R1.84 N#Cc1ccccc1OCCCF 34a_100000211048_100011934791 [1,0,0,0,0,0|3,0,0]=4 966 B13R1.84 N#Cc1ccccc1OCCCF 7a_100000211048_100011934791 [1,0,0,0,0,0|3,0,0]=4 967 B13R1.84 N#Cc1ccccc1OCCCO 34a_100000211048_100000230001 [1,0,0,0,0,0|2,0,0]=3 968 B13R1.84 N#Cc1ccccc1OCCCO 7a_100000211048_100011215043 [1,0,0,0,0,0|2,0,0]=3 969 B13R1.84 N#Cc1ccccc1SCCCO 62a_100011215043_100000188569 [1,0,0,0,0,0|2,1,0]=4 970 B13R1.84 N#Cc1ccncc1OCCCO 7a_100012181322_100011215043 [1,0,0,0,0,0|3,0,0]=4 971 B13R1.84 N#Cc1ncccc1OCCCO 34a_100000722750_100000230001 [1,0,0,0,0,0|3,0,0]=4 972 B13R1.84 N#Cc1ncccc1OCCCO 7a_100000722750_100011215043 [1,0,0,0,0,0|3,0,0]=4 973 B13R1.84 NCc1ccccc1OCCCF 34a_100000185550_100011934791 [1,0,0,0,0,0|3,0,0]=4 974 B13R1.84 NCc1ccccc1OCCCO 34a_100000185550_100000230001 [1,0,0,0,0,0|2,0,0]=3 975 B13R1.84 NCc1ccccc1SCCCO 62a_100000689332_100011215043 [1,0,0,0,0,0|2,1,0]=4 976 B13R1.84 NCc1ccccc1SCCCO 62a_100011215043_100000689332 [1,0,0,0,0,0|2,1,0]=4 977 B13R1.84 NNc1ccccc1SCCCO 62a_100000241748_100011215043 [1,0,0,0,0,0|2,1,0]=4 978 B13R1.84 NNc1ccccc1SCCCO 62a_100011215043_100000241748 [1,0,0,0,0,0|2,1,0]=4 979 B13R1.84 O=Cc1ccccc1SCCCO 62a_100000210073_100011215043 [1,0,0,0,0,0|2,1,0]=4 980 B13R1.84 O=Cc1ccccc1SCCCO 62a_100011215043_100000210073 [1,0,0,0,0,0|2,1,0]=4 981 B13R1.84 OCCCNc1ccccc1CO 34a_100000212039_100000230001 [1,0,0,0,0,0|3,0,0]=4 982 B13R1.84 OCCCOc1ccccc1CO 34a_100011216872_100000230001 [1,0,0,0,0,0|2,0,0]=3 983 B13R1.84 OCCCOc1cccnc1CBr 34a_200020655725_100000230001 [1,0,0,0,0,0|3,0,0]=4 984 B13R1.84 OCCCOc1cccnc1CBr 7a_200020655725_100011215043 [1,0,0,0,0,0|3,0,0]=4 985 B13R1.84 OCCCOc1cccnc1CO 34a_100000731849_100000230001 [1,0,0,0,0,0|3,0,0]=4 986 B13R1.84 OCCCOc1cnccc1CO 34a_100000078615_100000230001 [1,0,0,0,0,0|3,0,0]=4 987 B13R1.84 OCCCSc1ccccc1CO 62a_100000187465_100011215043 [1,0,0,0,0,0|2,1,0]=4 988 B13R1.84 OCCCSc1ccccc1CO 62a_100011215043_100000187465 [1,0,0,0,0,0|2,1,0]=4 989 B13R1.84 OCc1ccccc1OCCCF 34a_100011216872_100011934791 [1,0,0,0,0,0|3,0,0]=4 990 B13R1.84 [13CH3]Sc1ccccc1CCCCO 62a_100012092669_200025704644 [1,0,0,0,0,0|1,1,0]=3 991 B13R1.84 [13CH3]Sc1ccccc1CCCCO 62a_200025704644_100012092669 [1,0,0,0,0,0|1,1,0]=3 992 B13R1.84 [13CH3]Sc1ccccc1CNCCO 62a_106744479749_200025704644 [1,0,0,0,0,0|2,1,0]=4 993 B13R1.84 [13CH3]Sc1ccccc1CNCCO 62a_200025704644_106744479749 [1,0,0,0,0,0|2,1,0]=4 994 B13R1.90 C#Cc1ccccc1NCC(C)O 34a_100011470550_100011218427 [1,0,0,0,0,0|2,0,1]=4 995 B13R1.90 C#Cc1ccccc1NC[C@@H](C)O 34a_100011470550_100009817552 [1,0,0,0,0,0|2,0,1]=4 996 B13R1.90 C#Cc1ccccc1OCC(C)C 34a_200011470546_100000210624 [1,0,0,0,0,0|2,0,1]=4 997 B13R1.90 C#Cc1ccccc1OCC(C)C 7a_200011470546_100000210760 [1,0,0,0,0,0|2,0,1]=4 998 B13R1.90 C#Cc1ccccc1OCC(C)O 34a_200011470546_100011218427 [1,0,0,0,0,0|1,0,1]=3 999 B13R1.90 C#Cc1ccccc1OCC(C)O 7a_200011470546_100011218427 [1,0,0,0,0,0|1,0,1]=3 1000 B13R1.90 C#Cc1ccccc1OC[C@@H](C)O 34a_200011470546_100009817552 [1,0,0,0,0,0|1,0,1]=3 1001 B13R1.90 C#Cc1ccccc1OC[C@@H](C)O 7a_200011470546_100009817552 [1,0,0,0,0,0|1,0,1]=3 1002 B13R1.90 C=C(C)CNc1ccccc1OC 34a_100000210025_100000748629 [1,0,0,0,0,0|2,0,1]=4 1003 B13R1.90 C=C(C)COc1ccccc1CC 34a_100000210936_100000748629 [1,0,0,0,0,0|2,0,1]=4 1004 B13R1.90 C=C(C)COc1ccccc1CC 7a_100000210936_100000748629 [1,0,0,0,0,0|2,0,1]=4 1005 B13R1.90 C=C(C)COc1ccccc1NC 2230a_100000243823_200000210301 [1,0,0,0,0,0|2,0,1]=4 1006 B13R1.90 C=C(C)COc1ccccc1NC 34a_100000033821_100000748629 [1,0,0,0,0,0|2,0,1]=4 1007 B13R1.90 C=C(C)COc1ccccc1NC 34a_100000243823_200000210301 [1,0,0,0,0,0|2,0,1]=4 1008 B13R1.90 C=C(C)COc1ccccc1N[13CH3] 2230a_100000243823_200025704644 [1,0,0,0,0,0|2,0,1]=4 1009 B13R1.90 C=C(C)COc1ccccc1N[13CH3] 34a_100000243823_200025704644 [1,0,0,0,0,0|2,0,1]=4 1010 B13R1.90 C=C(C)COc1ccccc1OC 34a_100000210385_100000748629 [1,0,0,0,0,0|1,0,1]=3 1011 B13R1.90 C=C(C)COc1ccccc1SC 34a_100011216402_100000748629 [1,0,0,0,0,0|1,1,1]=4 1012 B13R1.90 C=C(C)COc1cccnc1OC 34a_100000698397_100000748629 [1,0,0,0,0,0|2,0,1]=4 1013 B13R1.90 C=C(C)COc1cccnc1OC 7a_100000698397_100000748629 [1,0,0,0,0,0|2,0,1]=4 1014 B13R1.90 C=C(C)COc1cnccc1OC 34a_100000101186_100000748629 [1,0,0,0,0,0|2,0,1]=4 1015 B13R1.90 C=C(C)COc1ncccc1OC 34a_100025773188_100000748629 [1,0,0,0,0,0|2,0,1]=4 1016 B13R1.90 C=C(C)CSc1ccccc1OC 62a_100000210334_100000211660 [1,0,0,0,0,0|1,1,1]=4 1017 B13R1.90 C=C(C)CSc1ccccc1OC 62a_100000748629_100000210334 [1,0,0,0,0,0|1,1,1]=4 1018 B13R1.90 C=C(F)COc1ccccc1OC 34a_100000210385_100009893438 [1,0,0,0,0,0|1,0,2]=4 1019 B13R1.90 C=Cc1ccccc1NCC(C)O 34a_100012022501_100011218427 [1,0,0,0,0,0|2,0,1]=4 1020 B13R1.90 C=Cc1ccccc1NC[C@@H](C)O 34a_100012022501_100009817552 [1,0,0,0,0,0|2,0,1]=4 1021 B13R1.90 C=Cc1ccccc1SCC(C)O 62a_100011218376_100011218427 [1,0,0,0,0,0|1,1,1]=4 1022 B13R1.90 C=Cc1ccccc1SCC(C)O 62a_100011218427_100011218376 [1,0,0,0,0,0|1,1,1]=4 1023 B13R1.90 C=Cc1ccccc1SC[C@@H](C)O 62a_100009817552_100011218376 [1,0,0,0,0,0|1,1,1]=4 1024 B13R1.90 C=Cc1ccccc1SC[C@@H](C)O 62a_100011218376_100009817552 [1,0,0,0,0,0|1,1,1]=4 1025 B13R1.90 CC(C)COc1ccccc1C#N 34a_100000211048_100000210624 [1,0,0,0,0,0|3,0,0]=4 1026 B13R1.90 CC(C)COc1ccccc1C#N 7a_100000211048_100000210760 [1,0,0,0,0,0|3,0,0]=4 1027 B13R1.90 CC(C)COc1ccccc1CN 34a_100000185550_100000210624 [1,0,0,0,0,0|3,0,0]=4 1028 B13R1.90 CC(C)COc1ccccc1CO 34a_100011216872_100000210624 [1,0,0,0,0,0|3,0,0]=4 1029 B13R1.90 CC(C)COc1ccccc1N[13CH3] 34a_100000742603_200025704644 [1,0,0,0,0,0|2,0,0]=3 1030 B13R1.90 CC(O)CNc1ccccc1C#N 34a_100000211148_100011218427 [1,0,0,0,0,0|3,0,0]=4 1031 B13R1.90 CC(O)CNc1ccccc1CO 34a_100000212039_100011218427 [1,0,0,0,0,0|3,0,0]=4 1032 B13R1.90 CC(O)COc1ccccc1C#N 34a_100000211048_100011218427 [1,0,0,0,0,0|2,0,0]=3 1033 B13R1.90 CC(O)COc1ccccc1C#N 7a_100000211048_100011218427 [1,0,0,0,0,0|2,0,0]=3 1034 B13R1.90 CC(O)COc1ccccc1CN 34a_100000185550_100011218427 [1,0,0,0,0,0|2,0,0]=3 1035 B13R1.90 CC(O)COc1ccccc1CO 34a_100011216872_100011218427 [1,0,0,0,0,0|2,0,0]=3 1036 B13R1.90 CC(O)COc1cccnc1C#N 34a_100000722750_100011218427 [1,0,0,0,0,0|3,0,0]=4 1037 B13R1.90 CC(O)COc1cccnc1C#N 7a_100000722750_100011218427 [1,0,0,0,0,0|3,0,0]=4 1038 B13R1.90 CC(O)COc1cccnc1CBr 34a_200020655725_100011218427 [1,0,0,0,0,0|3,0,0]=4 1039 B13R1.90 CC(O)COc1cccnc1CBr 7a_200020655725_100011218427 [1,0,0,0,0,0|3,0,0]=4 1040 B13R1.90 CC(O)COc1cccnc1CO 34a_100000731849_100011218427 [1,0,0,0,0,0|3,0,0]=4 1041 B13R1.90 CC(O)COc1cnccc1C#N 7a_100012181322_100011218427 [1,0,0,0,0,0|3,0,0]=4 1042 B13R1.90 CC(O)COc1cnccc1CO 34a_100000078615_100011218427 [1,0,0,0,0,0|3,0,0]=4 1043 B13R1.90 CC(O)CSc1ccccc1C#N 62a_100011218427_100000188569 [1,0,0,0,0,0|2,1,0]=4 1044 B13R1.90 CC(O)CSc1ccccc1C=O 62a_100000210073_100011218427 [1,0,0,0,0,0|2,1,0]=4 1045 B13R1.90 CC(O)CSc1ccccc1C=O 62a_100011218427_100000210073 [1,0,0,0,0,0|2,1,0]=4 1046 B13R1.90 CC(O)CSc1ccccc1CN 62a_100000689332_100011218427 [1,0,0,0,0,0|2,1,0]=4 1047 B13R1.90 CC(O)CSc1ccccc1CN 62a_100011218427_100000689332 [1,0,0,0,0,0|2,1,0]=4 1048 B13R1.90 CC(O)CSc1ccccc1CO 62a_100000187465_100011218427 [1,0,0,0,0,0|2,1,0]=4 1049 B13R1.90 CC(O)CSc1ccccc1CO 62a_100011218427_100000187465 [1,0,0,0,0,0|2,1,0]=4 1050 B13R1.90 CC(O)CSc1ccccc1NN 62a_100000241748_100011218427 [1,0,0,0,0,0|2,1,0]=4 1051 B13R1.90 CC(O)CSc1ccccc1NN 62a_100011218427_100000241748 [1,0,0,0,0,0|2,1,0]=4 1052 B13R1.90 CCc1ccccc1C=CC(C)O 271570a_200011019289_100011215823 [1,0,0,0,0,0|2,0,1]=4 1053 B13R1.90 CCc1ccccc1NCC(C)C 2230a_100000212081_100000210760 [1,0,0,0,0,0|3,0,0]=4 1054 B13R1.90 CCc1ccccc1NCC(C)C 34a_100000212081_100000210624 [1,0,0,0,0,0|3,0,0]=4 1055 B13R1.90 CCc1ccccc1NCC(C)C 7a_100000212081_100000210760 [1,0,0,0,0,0|3,0,0]=4 1056 B13R1.90 CCc1ccccc1NCC(C)O 2230a_100000212081_100011218427 [1,0,0,0,0,0|2,0,0]=3 1057 B13R1.90 CCc1ccccc1NCC(C)O 34a_100000212081_100011218427 [1,0,0,0,0,0|2,0,0]=3 1058 B13R1.90 CCc1ccccc1NCC(C)O 7a_100000212081_100011218427 [1,0,0,0,0,0|2,0,0]=3 1059 B13R1.90 CCc1ccccc1NC[C@@H](C)O 2230a_100000212081_100009817552 [1,0,0,0,0,0|2,0,0]=3 1060 B13R1.90 CCc1ccccc1NC[C@@H](C)O 34a_100000212081_100009817552 [1,0,0,0,0,0|2,0,0]=3 1061 B13R1.90 CCc1ccccc1NC[C@@H](C)O 7a_100000212081_100009817552 [1,0,0,0,0,0|2,0,0]=3 1062 B13R1.90 CCc1ccccc1OCC(=O)C 1458a_100000182566_200000210301 [1,0,0,0,0,0|1,0,2]=4 1063 B13R1.90 CCc1ccccc1OCC(=O)[13CH3] 1458a_100000182566_200025704644 [1,0,0,0,0,0|1,0,2]=4 1064 B13R1.90 CCc1ccccc1OCC(C)C 34a_100000210936_100000210624 [1,0,0,0,0,0|2,0,0]=3 1065 B13R1.90 CCc1ccccc1OCC(C)C 7a_100000210936_100000210760 [1,0,0,0,0,0|2,0,0]=3 1066 B13R1.90 CCc1ccccc1OCC(C)O 34a_100000210936_100011218427 [1,0,0,0,0,0|1,0,0]=2 1067 B13R1.90 CCc1ccccc1OCC(C)O 7a_100000210936_100011218427 [1,0,0,0,0,0|1,0,0]=2 1068 B13R1.90 CCc1ccccc1OCC(F)F 34a_100000210936_100011934356 [1,0,0,0,0,0|3,0,0]=4 1069 B13R1.90 CCc1ccccc1OCC(F)F 7a_100000210936_100011934356 [1,0,0,0,0,0|3,0,0]=4 1070 B13R1.90 CCc1ccccc1OC[C@@H](C)O 34a_100000210936_100009817552 [1,0,0,0,0,0|1,0,0]=2 1071 B13R1.90 CCc1ccccc1OC[C@@H](C)O 7a_100000210936_100009817552 [1,0,0,0,0,0|1,0,0]=2 1072 B13R1.90 CCc1ccccc1SCC(C)C 62a_100000210624_100011215823 [1,0,0,0,0,0|2,1,0]=4 1073 B13R1.90 CCc1ccccc1SCC(C)C 62a_100011215823_100000210760 [1,0,0,0,0,0|2,1,0]=4 1074 B13R1.90 CCc1ccccc1SCC(C)O 62a_100011215823_100011218427 [1,0,0,0,0,0|1,1,0]=3 1075 B13R1.90 CCc1ccccc1SCC(C)O 62a_100011218427_100011215823 [1,0,0,0,0,0|1,1,0]=3 1076 B13R1.90 CCc1ccccc1SC[C@@H](C)O 62a_100009817552_100011215823 [1,0,0,0,0,0|1,1,0]=3 1077 B13R1.90 CCc1ccccc1SC[C@@H](C)O 62a_100011215823_100009817552 [1,0,0,0,0,0|1,1,0]=3 1078 B13R1.90 CCc1ccncc1SCC(C)O 62a_100009819861_100011218427 [1,0,0,0,0,0|2,1,0]=4 1079 B13R1.90 CCc1ccncc1SCC(C)O 62a_100011218427_100009819861 [1,0,0,0,0,0|2,1,0]=4 1080 B13R1.90 CCc1ccncc1SC[C@@H](C)O 62a_100009817552_100009819861 [1,0,0,0,0,0|2,1,0]=4 1081 B13R1.90 CCc1ccncc1SC[C@@H](C)O 62a_100009819861_100009817552 [1,0,0,0,0,0|2,1,0]=4 1082 B13R1.90 CCc1cnccc1SCC(C)O 62a_100011218427_100025704421 [1,0,0,0,0,0|2,1,0]=4 1083 B13R1.90 CCc1cnccc1SCC(C)O 62a_100025704421_100011218427 [1,0,0,0,0,0|2,1,0]=4 1084 B13R1.90 CCc1cnccc1SC[C@@H](C)O 62a_100009817552_100025704421 [1,0,0,0,0,0|2,1,0]=4 1085 B13R1.90 CCc1cnccc1SC[C@@H](C)O 62a_100025704421_100009817552 [1,0,0,0,0,0|2,1,0]=4 1086 B13R1.90 CCc1ncccc1SCC(C)O 62a_100009877225_100011218427 [1,0,0,0,0,0|2,1,0]=4 1087 B13R1.90 CCc1ncccc1SCC(C)O 62a_100011218427_100009877225 [1,0,0,0,0,0|2,1,0]=4 1088 B13R1.90 CCc1ncccc1SC[C@@H](C)O 62a_100009817552_100009877225 [1,0,0,0,0,0|2,1,0]=4 1089 B13R1.90 CCc1ncccc1SC[C@@H](C)O 62a_100009877225_100009817552 [1,0,0,0,0,0|2,1,0]=4 1090 B13R1.90 CNc1ccccc1C=CC(C)O 271570a_200011019289_100020606079 [1,0,0,0,0,0|2,0,1]=4 1091 B13R1.90 CNc1ccccc1OCC(C)C 34a_100000033821_100000210624 [1,0,0,0,0,0|2,0,0]=3 1092 B13R1.90 CNc1ccccc1OCC(C)C 34a_100000742603_200000210301 [1,0,0,0,0,0|2,0,0]=3 1093 B13R1.90 CNc1ccccc1OCC(C)O 34a_100000033821_100011218427 [1,0,0,0,0,0|1,0,0]=2 1094 B13R1.90 CNc1ccccc1OCC(F)F 2230a_100000688611_200000210301 [1,0,0,0,0,0|3,0,0]=4 1095 B13R1.90 CNc1ccccc1OCC(F)F 27a_100102657272_100000692002 [1,0,0,0,0,0|3,0,0]=4 1096 B13R1.90 CNc1ccccc1OCC(F)F 34a_100000033821_100011934356 [1,0,0,0,0,0|3,0,0]=4 1097 B13R1.90 CNc1ccccc1OCC(F)F 34a_100000688611_200000210301 [1,0,0,0,0,0|3,0,0]=4 1098 B13R1.90 CNc1ccccc1OC[C@@H](C)O 34a_100000033821_100009817552 [1,0,0,0,0,0|1,0,0]=2 1099 B13R1.90 CNc1ccccc1SCC(C)C 62a_100000210624_100020606079 [1,0,0,0,0,0|2,1,0]=4 1100 B13R1.90 CNc1ccccc1SCC(C)C 62a_100020606079_100000210760 [1,0,0,0,0,0|2,1,0]=4 1101 B13R1.90 CNc1ccccc1SCC(C)O 62a_100011218427_100020606079 [1,0,0,0,0,0|1,1,0]=3 1102 B13R1.90 CNc1ccccc1SCC(C)O 62a_100020606079_100011218427 [1,0,0,0,0,0|1,1,0]=3 1103 B13R1.90 CNc1ccccc1SC[C@@H](C)O 62a_100009817552_100020606079 [1,0,0,0,0,0|1,1,0]=3 1104 B13R1.90 CNc1ccccc1SC[C@@H](C)O 62a_100020606079_100009817552 [1,0,0,0,0,0|1,1,0]=3 1105 B13R1.90 CNc1cccnc1SCC(C)O 62a_100011218427_200011806188 [1,0,0,0,0,0|2,1,0]=4 1106 B13R1.90 CNc1cccnc1SC[C@@H](C)O 62a_100009817552_200011806188 [1,0,0,0,0,0|2,1,0]=4 1107 B13R1.90 CNc1ccncc1SCC(C)O 62a_100010069531_100011218427 [1,0,0,0,0,0|2,1,0]=4 1108 B13R1.90 CNc1ccncc1SCC(C)O 62a_100011218427_100010069531 [1,0,0,0,0,0|2,1,0]=4 1109 B13R1.90 CNc1ccncc1SC[C@@H](C)O 62a_100009817552_100010069531 [1,0,0,0,0,0|2,1,0]=4 1110 B13R1.90 CNc1ccncc1SC[C@@H](C)O 62a_100010069531_100009817552 [1,0,0,0,0,0|2,1,0]=4 1111 B13R1.90 CNc1ncccc1SCC(C)O 62a_100000700899_100011218427 [1,0,0,0,0,0|2,1,0]=4 1112 B13R1.90 CNc1ncccc1SCC(C)O 62a_100011218427_100000700899 [1,0,0,0,0,0|2,1,0]=4 1113 B13R1.90 CNc1ncccc1SC[C@@H](C)O 62a_100000700899_100009817552 [1,0,0,0,0,0|2,1,0]=4 1114 B13R1.90 CNc1ncccc1SC[C@@H](C)O 62a_100009817552_100000700899 [1,0,0,0,0,0|2,1,0]=4 1115 B13R1.90 COc1ccccc1C=CC(C)C 271570a_100016257149_100000174000 [1,0,0,0,0,0|2,0,1]=4 1116 B13R1.90 COc1ccccc1C=CC(C)O 271570a_200011019289_100000174000 [1,0,0,0,0,0|1,0,1]=3 1117 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000070787_100011713687 [1,0,0,0,0,0|1,0,2]=4 1118 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000184355_200000210301 [1,0,0,0,0,0|1,0,2]=4 1119 B13R1.90 COc1ccccc1CCC(=O)[13CH3] 1458a_100000184355_200025704644 [1,0,0,0,0,0|1,0,2]=4 1120 B13R1.90 COc1ccccc1CCN(C)C 2230a_100000231131_200000210301 [1,0,0,0,0,0|3,0,0]=4 1121 B13R1.90 COc1ccccc1CCN(C)C 2230a_100102631434_100011713687 [1,0,0,0,0,0|3,0,0]=4 1122 B13R1.90 COc1ccccc1CCN(C)C 269982a_100000231131_200000210301 [1,0,0,0,0,0|3,0,0]=4 1123 B13R1.90 COc1ccccc1CCN(C)C 269982a_100102631434_100011713687 [1,0,0,0,0,0|3,0,0]=4 1124 B13R1.90 COc1ccccc1CCN(C)C 270004a_100102631434_100011713418 [1,0,0,0,0,0|3,0,0]=4 1125 B13R1.90 COc1ccccc1CCN(C)[13CH3] 2230a_100000231131_200025704644 [1,0,0,0,0,0|3,0,0]=4 1126 B13R1.90 COc1ccccc1CCN(C)[13CH3] 269982a_100000231131_200025704644 [1,0,0,0,0,0|3,0,0]=4 1127 B13R1.90 COc1ccccc1CNC(C)C 207a_100138425928_100000169842 [1,0,0,0,0,0|3,0,0]=4 1128 B13R1.90 COc1ccccc1CNC(C)C 2230a_100138425928_100000210004 [1,0,0,0,0,0|3,0,0]=4 1129 B13R1.90 COc1ccccc1CNC(C)C 34a_100000188900_100000210206 [1,0,0,0,0,0|3,0,0]=4 1130 B13R1.90 COc1ccccc1CNC(C)C 34a_100138425928_100000210004 [1,0,0,0,0,0|3,0,0]=4 1131 B13R1.90 COc1ccccc1COC(C)C 34a_100000211301_100000210206 [1,0,0,0,0,0|3,0,0]=4 1132 B13R1.90 COc1ccccc1COC(C)C 34a_100000212225_100000210004 [1,0,0,0,0,0|3,0,0]=4 1133 B13R1.90 COc1ccccc1CSC(C)C 62a_100000210004_100000210206 [1,0,0,0,0,0|3,0,0]=4 1134 B13R1.90 COc1ccccc1CSC(C)C 62a_100000210206_100000210004 [1,0,0,0,0,0|3,0,0]=4 1135 B13R1.90 COc1ccccc1NCC(C)C 34a_100000210025_100000210624 [1,0,0,0,0,0|2,0,0]=3 1136 B13R1.90 COc1ccccc1NCC(C)O 34a_100000210025_100011218427 [1,0,0,0,0,0|1,0,0]=2 1137 B13R1.90 COc1ccccc1NCC(F)F 34a_100000210025_100011934356 [1,0,0,0,0,0|3,0,0]=4 1138 B13R1.90 COc1ccccc1NC[C@@H](C)O 34a_100000210025_100009817552 [1,0,0,0,0,0|1,0,0]=2 1139 B13R1.90 COc1ccccc1OCC(=O)C 1458a_100000182946_200000210301 [1,0,0,0,0,0|0,0,2]=3 1140 B13R1.90 COc1ccccc1OCC(=O)N 34a_100000210385_100000187820 [1,0,0,0,0,0|1,0,2]=4 1141 B13R1.90 COc1ccccc1OCC(=O)N 7a_100000162348_200000210301 [1,0,0,0,0,0|1,0,2]=4 1142 B13R1.90 COc1ccccc1OCC(=O)[13CH3] 1458a_100000182946_200025704644 [1,0,0,0,0,0|0,0,2]=3 1143 B13R1.90 COc1ccccc1OCC(=O)[O-] 34a_100000210385_100020667443 [1,0,0,0,0,0|0,0,3]=4 1144 B13R1.90 COc1ccccc1OCC(C)C 34a_100000210385_100000210624 [1,0,0,0,0,0|1,0,0]=2 1145 B13R1.90 COc1ccccc1OCC(C)O 34a_100000210385_100011218427 [1,0,0,0,0,0|0,0,0]=1 1146 B13R1.90 COc1ccccc1OCC(F)F 34a_100000210385_100011934356 [1,0,0,0,0,0|2,0,0]=3 1147 B13R1.90 COc1ccccc1OC[C@@H](C)O 34a_100000210385_100009817552 [1,0,0,0,0,0|0,0,0]=1 1148 B13R1.90 COc1ccccc1OC[N+](=O)[O-] 34a_100000210385_100000761209 [1,0,0,0,0,0|1,0,2]=4 1149 B13R1.90 COc1ccccc1SCC(C)C 62a_100000210334_100000210760 [1,0,0,0,0,0|1,1,0]=3 1150 B13R1.90 COc1ccccc1SCC(C)C 62a_100000210624_100000210334 [1,0,0,0,0,0|1,1,0]=3 1151 B13R1.90 COc1ccccc1SCC(C)O 62a_100000210334_100011218427 [1,0,0,0,0,0|0,1,0]=2 1152 B13R1.90 COc1ccccc1SCC(C)O 62a_100011218427_100000210334 [1,0,0,0,0,0|0,1,0]=2 1153 B13R1.90 COc1ccccc1SCC(F)F 62a_100000210334_100011934356 [1,0,0,0,0,0|2,1,0]=4 1154 B13R1.90 COc1ccccc1SCC(F)F 62a_100011934356_100000210334 [1,0,0,0,0,0|2,1,0]=4 1155 B13R1.90 COc1ccccc1SC[C@@H](C)O 62a_100000210334_100009817552 [1,0,0,0,0,0|0,1,0]=2 1156 B13R1.90 COc1ccccc1SC[C@@H](C)O 62a_100009817552_100000210334 [1,0,0,0,0,0|0,1,0]=2 1157 B13R1.90 COc1cccnc1C=CC(C)O 271570a_200011019289_100000690851 [1,0,0,0,0,0|2,0,1]=4 1158 B13R1.90 COc1cccnc1OCC(C)C 34a_100025773188_100000210624 [1,0,0,0,0,0|2,0,0]=3 1159 B13R1.90 COc1cccnc1OCC(C)O 34a_100025773188_100011218427 [1,0,0,0,0,0|1,0,0]=2 1160 B13R1.90 COc1cccnc1OCC(F)F 34a_100025773188_100011934356 [1,0,0,0,0,0|3,0,0]=4 1161 B13R1.90 COc1cccnc1OC[C@@H](C)O 34a_100025773188_100009817552 [1,0,0,0,0,0|1,0,0]=2 1162 B13R1.90 COc1cccnc1SCC(C)C 62a_100000210624_100000690851 [1,0,0,0,0,0|2,1,0]=4 1163 B13R1.90 COc1cccnc1SCC(C)C 62a_100000767102_100000210760 [1,0,0,0,0,0|2,1,0]=4 1164 B13R1.90 COc1cccnc1SCC(C)O 62a_100000767102_100011218427 [1,0,0,0,0,0|1,1,0]=3 1165 B13R1.90 COc1cccnc1SCC(C)O 62a_100011218427_100000690851 [1,0,0,0,0,0|1,1,0]=3 1166 B13R1.90 COc1cccnc1SC[C@@H](C)O 62a_100000767102_100009817552 [1,0,0,0,0,0|1,1,0]=3 1167 B13R1.90 COc1cccnc1SC[C@@H](C)O 62a_100009817552_100000690851 [1,0,0,0,0,0|1,1,0]=3 1168 B13R1.90 COc1ccncc1C=CC(C)O 271570a_200011019289_100011997281 [1,0,0,0,0,0|2,0,1]=4 1169 B13R1.90 COc1ccncc1OCC(C)C 34a_100000101186_100000210624 [1,0,0,0,0,0|2,0,0]=3 1170 B13R1.90 COc1ccncc1OCC(C)O 34a_100000101186_100011218427 [1,0,0,0,0,0|1,0,0]=2 1171 B13R1.90 COc1ccncc1OCC(F)F 34a_100000101186_100011934356 [1,0,0,0,0,0|3,0,0]=4 1172 B13R1.90 COc1ccncc1OC[C@@H](C)O 34a_100000101186_100009817552 [1,0,0,0,0,0|1,0,0]=2 1173 B13R1.90 COc1ccncc1SCC(C)C 62a_100000210624_100011997281 [1,0,0,0,0,0|2,1,0]=4 1174 B13R1.90 COc1ccncc1SCC(C)C 62a_100011997281_100000210760 [1,0,0,0,0,0|2,1,0]=4 1175 B13R1.90 COc1ccncc1SCC(C)O 62a_100011218427_100011997281 [1,0,0,0,0,0|1,1,0]=3 1176 B13R1.90 COc1ccncc1SCC(C)O 62a_100011997281_100011218427 [1,0,0,0,0,0|1,1,0]=3 1177 B13R1.90 COc1ccncc1SC[C@@H](C)O 62a_100009817552_100011997281 [1,0,0,0,0,0|1,1,0]=3 1178 B13R1.90 COc1ccncc1SC[C@@H](C)O 62a_100011997281_100009817552 [1,0,0,0,0,0|1,1,0]=3 1179 B13R1.90 COc1cnccc1C=CC(C)O 271570a_200011019289_100016988167 [1,0,0,0,0,0|2,0,1]=4 1180 B13R1.90 COc1cnccc1SCC(C)C 62a_100000210624_100016988167 [1,0,0,0,0,0|2,1,0]=4 1181 B13R1.90 COc1cnccc1SCC(C)C 62a_100016988167_100000210760 [1,0,0,0,0,0|2,1,0]=4 1182 B13R1.90 COc1cnccc1SCC(C)O 62a_100011218427_100016988167 [1,0,0,0,0,0|1,1,0]=3 1183 B13R1.90 COc1cnccc1SCC(C)O 62a_100016988167_100011218427 [1,0,0,0,0,0|1,1,0]=3 1184 B13R1.90 COc1cnccc1SC[C@@H](C)O 62a_100009817552_100016988167 [1,0,0,0,0,0|1,1,0]=3 1185 B13R1.90 COc1cnccc1SC[C@@H](C)O 62a_100016988167_100009817552 [1,0,0,0,0,0|1,1,0]=3 1186 B13R1.90 COc1cncnc1NCC(C)O 27a_100000210904_100012001275 [1,0,0,0,0,0|3,0,0]=4 1187 B13R1.90 COc1cncnc1SCC(C)O 62a_100011218427_100012001275 [1,0,0,0,0,0|2,1,0]=4 1188 B13R1.90 COc1cncnc1SCC(C)O 62a_100012001275_100011218427 [1,0,0,0,0,0|2,1,0]=4 1189 B13R1.90 COc1cncnc1SC[C@@H](C)O 62a_100009817552_100012001275 [1,0,0,0,0,0|2,1,0]=4 1190 B13R1.90 COc1cncnc1SC[C@@H](C)O 62a_100012001275_100009817552 [1,0,0,0,0,0|2,1,0]=4 1191 B13R1.90 COc1ncccc1C=CC(C)O 271570a_200011019289_100000047025 [1,0,0,0,0,0|2,0,1]=4 1192 B13R1.90 COc1ncccc1OCC(C)C 34a_100000698397_100000210624 [1,0,0,0,0,0|2,0,0]=3 1193 B13R1.90 COc1ncccc1OCC(C)C 7a_100000698397_100000210760 [1,0,0,0,0,0|2,0,0]=3 1194 B13R1.90 COc1ncccc1OCC(C)O 34a_100000698397_100011218427 [1,0,0,0,0,0|1,0,0]=2 1195 B13R1.90 COc1ncccc1OCC(C)O 7a_100000698397_100011218427 [1,0,0,0,0,0|1,0,0]=2 1196 B13R1.90 COc1ncccc1OCC(F)F 34a_100000698397_100011934356 [1,0,0,0,0,0|3,0,0]=4 1197 B13R1.90 COc1ncccc1OCC(F)F 7a_100000698397_100011934356 [1,0,0,0,0,0|3,0,0]=4 1198 B13R1.90 COc1ncccc1OC[C@@H](C)O 34a_100000698397_100009817552 [1,0,0,0,0,0|1,0,0]=2 1199 B13R1.90 COc1ncccc1OC[C@@H](C)O 7a_100000698397_100009817552 [1,0,0,0,0,0|1,0,0]=2 1200 B13R1.90 COc1ncccc1SCC(C)C 62a_100000047025_100000210760 [1,0,0,0,0,0|2,1,0]=4 1201 B13R1.90 COc1ncccc1SCC(C)C 62a_100000210624_100000047025 [1,0,0,0,0,0|2,1,0]=4 1202 B13R1.90 COc1ncccc1SCC(C)O 62a_100000047025_100011218427 [1,0,0,0,0,0|1,1,0]=3 1203 B13R1.90 COc1ncccc1SCC(C)O 62a_100011218427_100000047025 [1,0,0,0,0,0|1,1,0]=3 1204 B13R1.90 COc1ncccc1SC[C@@H](C)O 62a_100000047025_100009817552 [1,0,0,0,0,0|1,1,0]=3 1205 B13R1.90 COc1ncccc1SC[C@@H](C)O 62a_100009817552_100000047025 [1,0,0,0,0,0|1,1,0]=3 1206 B13R1.90 COc1nccnc1NCC(C)O 27a_100000210904_100009858322 [1,0,0,0,0,0|3,0,0]=4 1207 B13R1.90 COc1nccnc1SCC(C)O 62a_100009858322_100011218427 [1,0,0,0,0,0|2,1,0]=4 1208 B13R1.90 COc1nccnc1SCC(C)O 62a_100011218427_100000749998 [1,0,0,0,0,0|2,1,0]=4 1209 B13R1.90 COc1nccnc1SC[C@@H](C)O 62a_100009817552_100000749998 [1,0,0,0,0,0|2,1,0]=4 1210 B13R1.90 COc1nccnc1SC[C@@H](C)O 62a_100009858322_100009817552 [1,0,0,0,0,0|2,1,0]=4 1211 B13R1.90 COc1ncncc1SCC(C)O 62a_100000719902_100011218427 [1,0,0,0,0,0|2,1,0]=4 1212 B13R1.90 COc1ncncc1SCC(C)O 62a_100011218427_100000719902 [1,0,0,0,0,0|2,1,0]=4 1213 B13R1.90 COc1ncncc1SC[C@@H](C)O 62a_100000719902_100009817552 [1,0,0,0,0,0|2,1,0]=4 1214 B13R1.90 COc1ncncc1SC[C@@H](C)O 62a_100009817552_100000719902 [1,0,0,0,0,0|2,1,0]=4 1215 B13R1.90 CSc1ccccc1C=CC(C)O 271570a_200011019289_100011217816 [1,0,0,0,0,0|1,1,1]=4 1216 B13R1.90 CSc1ccccc1NCC(C)C 34a_100000211160_100000210624 [1,0,0,0,0,0|2,1,0]=4 1217 B13R1.90 CSc1ccccc1NCC(C)O 34a_100000211160_100011218427 [1,0,0,0,0,0|1,1,0]=3 1218 B13R1.90 CSc1ccccc1NC[C@@H](C)O 34a_100000211160_100009817552 [1,0,0,0,0,0|1,1,0]=3 1219 B13R1.90 CSc1ccccc1OCC(C)C 34a_100011216402_100000210624 [1,0,0,0,0,0|1,1,0]=3 1220 B13R1.90 CSc1ccccc1OCC(C)O 34a_100011216402_100011218427 [1,0,0,0,0,0|0,1,0]=2 1221 B13R1.90 CSc1ccccc1OCC(F)F 34a_100011216402_100011934356 [1,0,0,0,0,0|2,1,0]=4 1222 B13R1.90 CSc1ccccc1OCC(F)F 62a_100000692002_200000210301 [1,0,0,0,0,0|2,1,0]=4 1223 B13R1.90 CSc1ccccc1OCC(F)F 62a_200000210301_100000692002 [1,0,0,0,0,0|2,1,0]=4 1224 B13R1.90 CSc1ccccc1OC[C@@H](C)O 34a_100011216402_100009817552 [1,0,0,0,0,0|0,1,0]=2 1225 B13R1.90 CSc1ccccc1SCC(C)C 62a_100000210624_100011217816 [1,0,0,0,0,0|1,2,0]=4 1226 B13R1.90 CSc1ccccc1SCC(C)C 62a_100011217816_100000210760 [1,0,0,0,0,0|1,2,0]=4 1227 B13R1.90 CSc1ccccc1SCC(C)O 62a_100011217816_100011218427 [1,0,0,0,0,0|0,2,0]=3 1228 B13R1.90 CSc1ccccc1SCC(C)O 62a_100011218427_100011217816 [1,0,0,0,0,0|0,2,0]=3 1229 B13R1.90 CSc1ccccc1SC[C@@H](C)O 62a_100009817552_100011217816 [1,0,0,0,0,0|0,2,0]=3 1230 B13R1.90 CSc1ccccc1SC[C@@H](C)O 62a_100011217816_100009817552 [1,0,0,0,0,0|0,2,0]=3 1231 B13R1.90 CSc1ncccc1SCC(C)O 62a_100011218427_100011465278 [1,0,0,0,0,0|1,2,0]=4 1232 B13R1.90 CSc1ncccc1SCC(C)O 62a_100011465278_100011218427 [1,0,0,0,0,0|1,2,0]=4 1233 B13R1.90 CSc1ncccc1SC[C@@H](C)O 62a_100009817552_100011465278 [1,0,0,0,0,0|1,2,0]=4 1234 B13R1.90 CSc1ncccc1SC[C@@H](C)O 62a_100011465278_100009817552 [1,0,0,0,0,0|1,2,0]=4 1235 B13R1.90 C[C@@H](O)CNc1ccccc1C#N 34a_100000211148_100009817552 [1,0,0,0,0,0|3,0,0]=4 1236 B13R1.90 C[C@@H](O)CNc1ccccc1CO 34a_100000212039_100009817552 [1,0,0,0,0,0|3,0,0]=4 1237 B13R1.90 C[C@@H](O)COc1ccccc1C#N 34a_100000211048_100009817552 [1,0,0,0,0,0|2,0,0]=3 1238 B13R1.90 C[C@@H](O)COc1ccccc1C#N 7a_100000211048_100009817552 [1,0,0,0,0,0|2,0,0]=3 1239 B13R1.90 C[C@@H](O)COc1ccccc1CN 34a_100000185550_100009817552 [1,0,0,0,0,0|2,0,0]=3 1240 B13R1.90 C[C@@H](O)COc1ccccc1CO 34a_100011216872_100009817552 [1,0,0,0,0,0|2,0,0]=3 1241 B13R1.90 C[C@@H](O)COc1cccnc1C#N 34a_100000722750_100009817552 [1,0,0,0,0,0|3,0,0]=4 1242 B13R1.90 C[C@@H](O)COc1cccnc1C#N 7a_100000722750_100009817552 [1,0,0,0,0,0|3,0,0]=4 1243 B13R1.90 C[C@@H](O)COc1cccnc1CBr 34a_200020655725_100009817552 [1,0,0,0,0,0|3,0,0]=4 1244 B13R1.90 C[C@@H](O)COc1cccnc1CBr 7a_200020655725_100009817552 [1,0,0,0,0,0|3,0,0]=4 1245 B13R1.90 C[C@@H](O)COc1cccnc1CO 34a_100000731849_100009817552 [1,0,0,0,0,0|3,0,0]=4 1246 B13R1.90 C[C@@H](O)COc1cnccc1C#N 7a_100012181322_100009817552 [1,0,0,0,0,0|3,0,0]=4 1247 B13R1.90 C[C@@H](O)COc1cnccc1CO 34a_100000078615_100009817552 [1,0,0,0,0,0|3,0,0]=4 1248 B13R1.90 C[C@@H](O)CSc1ccccc1C#N 62a_100009817552_100000188569 [1,0,0,0,0,0|2,1,0]=4 1249 B13R1.90 C[C@@H](O)CSc1ccccc1C=O 62a_100000210073_100009817552 [1,0,0,0,0,0|2,1,0]=4 1250 B13R1.90 C[C@@H](O)CSc1ccccc1C=O 62a_100009817552_100000210073 [1,0,0,0,0,0|2,1,0]=4 1251 B13R1.90 C[C@@H](O)CSc1ccccc1CN 62a_100000689332_100009817552 [1,0,0,0,0,0|2,1,0]=4 1252 B13R1.90 C[C@@H](O)CSc1ccccc1CN 62a_100009817552_100000689332 [1,0,0,0,0,0|2,1,0]=4 1253 B13R1.90 C[C@@H](O)CSc1ccccc1CO 62a_100000187465_100009817552 [1,0,0,0,0,0|2,1,0]=4 1254 B13R1.90 C[C@@H](O)CSc1ccccc1CO 62a_100009817552_100000187465 [1,0,0,0,0,0|2,1,0]=4 1255 B13R1.90 C[C@@H](O)CSc1ccccc1NN 62a_100000241748_100009817552 [1,0,0,0,0,0|2,1,0]=4 1256 B13R1.90 C[C@@H](O)CSc1ccccc1NN 62a_100009817552_100000241748 [1,0,0,0,0,0|2,1,0]=4 1257 B13R1.90 [13CH3]Nc1ccccc1OCC(F)F 2230a_100000688611_200025704644 [1,0,0,0,0,0|3,0,0]=4 1258 B13R1.90 [13CH3]Nc1ccccc1OCC(F)F 34a_100000688611_200025704644 [1,0,0,0,0,0|3,0,0]=4 1259 B13R1.90 [13CH3]Oc1ccccc1OCC(=O)N 7a_100000162348_200025704644 [1,0,0,0,0,0|1,0,2]=4 1260 B13R1.90 [13CH3]Sc1ccccc1OCC(F)F 62a_100000692002_200025704644 [1,0,0,0,0,0|2,1,0]=4 1261 B13R1.90 [13CH3]Sc1ccccc1OCC(F)F 62a_200025704644_100000692002 [1,0,0,0,0,0|2,1,0]=4 1262 B13R1.528 C=CC(O)CNc1ccccc1C 34a_100015192222_100000730141 [1,0,0,0,0,0|2,0,1]=4 1263 B13R1.528 C=CC(O)CNc1ccccc1O 34a_100000185747_100000730141 [1,0,0,0,0,0|2,0,1]=4 1264 B13R1.528 C=CC(O)COc1ccccc1Br 34a_100000181306_100000730141 [1,0,0,0,0,0|2,0,1]=4 1265 B13R1.528 C=CC(O)COc1ccccc1Br 7a_100000181306_100000730141 [1,0,0,0,0,0|2,0,1]=4 1266 B13R1.528 C=CC(O)COc1ccccc1C 34a_100000210338_100000730141 [1,0,0,0,0,0|1,0,1]=3 1267 B13R1.528 C=CC(O)COc1ccccc1C 7a_100000210338_100000730141 [1,0,0,0,0,0|1,0,1]=3 1268 B13R1.528 C=CC(O)COc1ccccc1Cl 34a_100000210172_100000730141 [1,0,0,0,0,0|2,0,1]=4 1269 B13R1.528 C=CC(O)COc1ccccc1Cl 7a_100000210172_100000730141 [1,0,0,0,0,0|2,0,1]=4 1270 B13R1.528 C=CC(O)COc1ccccc1F 34a_100000210171_100000730141 [1,0,0,0,0,0|2,0,1]=4 1271 B13R1.528 C=CC(O)COc1ccccc1F 7a_100000210171_100000730141 [1,0,0,0,0,0|2,0,1]=4 1272 B13R1.528 C=CC(O)COc1ccccc1I 34a_100000739446_100000730141 [1,0,0,0,0,0|2,0,1]=4 1273 B13R1.528 C=CC(O)COc1ccccc1I 7a_100000739446_100000730141 [1,0,0,0,0,0|2,0,1]=4 1274 B13R1.528 C=CC(O)COc1ccccc1N 34a_100000185747_100000730141 [1,0,0,0,0,0|2,0,1]=4 1275 B13R1.528 C=CC(O)COc1ccccc1N 7a_100000185747_100000730141 [1,0,0,0,0,0|2,0,1]=4 1276 B13R1.528 C=CC(O)COc1cccnc1C 34a_100000745507_100000730141 [1,0,0,0,0,0|2,0,1]=4 1277 B13R1.528 C=CC(O)COc1cccnc1C 7a_100000745507_100000730141 [1,0,0,0,0,0|2,0,1]=4 1278 B13R1.528 C=CC(O)COc1ccncc1C 34a_100000694293_100000730141 [1,0,0,0,0,0|2,0,1]=4 1279 B13R1.528 C=CC(O)COc1cnccc1C 34a_100011997053_100000730141 [1,0,0,0,0,0|2,0,1]=4 1280 B13R1.528 C=CC(O)COc1cnccc1C 7a_100011997053_100000730141 [1,0,0,0,0,0|2,0,1]=4 1281 B13R1.528 C=CC(O)CSc1ccccc1C 62a_100000210755_100000730141 [1,0,0,0,0,0|1,1,1]=4 1282 B13R1.528 C=CC(O)CSc1ccccc1C 62a_100000730141_100000210755 [1,0,0,0,0,0|1,1,1]=4 1283 B13R1.528 C=CC(O)CSc1ccccc1O 62a_100000730141_100000739446 [1,0,0,0,0,0|1,1,1]=4 1284 B13R1.528 C=CC(O)CSc1ccccc1O 62a_100000739446_100000730141 [1,0,0,0,0,0|1,1,1]=4 1285 B13R1.528 CC(CO)NCc1ccccc1O 34a_100000185550_100012180447 [1,0,0,0,0,0|3,0,0]=4 1286 B13R1.528 CCC(=O)COc1ccccc1C 1458a_100000182418_100000210202 [1,0,0,0,0,0|1,0,2]=4 1287 B13R1.528 CCC(=O)COc1ccccc1C 7a_100000210338_100000747405 [1,0,0,0,0,0|1,0,2]=4 1288 B13R1.528 CCC(=O)COc1ccccc1O 1458a_100000183020_100000210202 [1,0,0,0,0,0|1,0,2]=4 1289 B13R1.528 CCC(C)CNc1ccccc1C 34a_100015192222_100000748023 [1,0,0,0,0,0|3,0,0]=4 1290 B13R1.528 CCC(C)CNc1ccccc1O 34a_100000185747_100000748023 [1,0,0,0,0,0|3,0,0]=4 1291 B13R1.528 CCC(C)COc1ccccc1Br 34a_100000181306_100000748023 [1,0,0,0,0,0|3,0,0]=4 1292 B13R1.528 CCC(C)COc1ccccc1Br 7a_100000181306_100000748023 [1,0,0,0,0,0|3,0,0]=4 1293 B13R1.528 CCC(C)COc1ccccc1C 34a_100000210338_100000748023 [1,0,0,0,0,0|2,0,0]=3 1294 B13R1.528 CCC(C)COc1ccccc1C 7a_100000210338_100000748023 [1,0,0,0,0,0|2,0,0]=3 1295 B13R1.528 CCC(C)COc1ccccc1Cl 34a_100000210172_100000748023 [1,0,0,0,0,0|3,0,0]=4 1296 B13R1.528 CCC(C)COc1ccccc1Cl 7a_100000210172_100000748023 [1,0,0,0,0,0|3,0,0]=4 1297 B13R1.528 CCC(C)COc1ccccc1F 34a_100000210171_100000748023 [1,0,0,0,0,0|3,0,0]=4 1298 B13R1.528 CCC(C)COc1ccccc1F 7a_100000210171_100000748023 [1,0,0,0,0,0|3,0,0]=4 1299 B13R1.528 CCC(C)COc1ccccc1I 34a_100000739446_100000748023 [1,0,0,0,0,0|3,0,0]=4 1300 B13R1.528 CCC(C)COc1ccccc1I 7a_100000739446_100000748023 [1,0,0,0,0,0|3,0,0]=4 1301 B13R1.528 CCC(C)COc1ccccc1N 34a_100000185747_100000748023 [1,0,0,0,0,0|3,0,0]=4 1302 B13R1.528 CCC(C)COc1ccccc1N 7a_100000185747_100000748023 [1,0,0,0,0,0|3,0,0]=4 1303 B13R1.528 CCC(C)COc1cccnc1C 34a_100000745507_100000748023 [1,0,0,0,0,0|3,0,0]=4 1304 B13R1.528 CCC(C)COc1cccnc1C 7a_100000745507_100000748023 [1,0,0,0,0,0|3,0,0]=4 1305 B13R1.528 CCC(C)COc1ccncc1C 34a_100000694293_100000748023 [1,0,0,0,0,0|3,0,0]=4 1306 B13R1.528 CCC(C)COc1cnccc1C 34a_100011997053_100000748023 [1,0,0,0,0,0|3,0,0]=4 1307 B13R1.528 CCC(C)COc1cnccc1C 7a_100011997053_100000748023 [1,0,0,0,0,0|3,0,0]=4 1308 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000210755_100000748023 [1,0,0,0,0,0|2,1,0]=4 1309 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000748023_100000210755 [1,0,0,0,0,0|2,1,0]=4 1310 B13R1.528 CCC(C)CSc1ccccc1O 62a_100000739446_100000748023 [1,0,0,0,0,0|2,1,0]=4 1311 B13R1.528 CCC(C)CSc1ccccc1O 62a_100000748023_100000739446 [1,0,0,0,0,0|2,1,0]=4 1312 B13R1.528 CCC(O)CNc1ccccc1Br 34a_100000210017_100011218378 [1,0,0,0,0,0|3,0,0]=4 1313 B13R1.528 CCC(O)CNc1ccccc1C 34a_100015192222_100011218378 [1,0,0,0,0,0|2,0,0]=3 1314 B13R1.528 CCC(O)CNc1ccccc1Cl 34a_100000185783_100011218378 [1,0,0,0,0,0|3,0,0]=4 1315 B13R1.528 CCC(O)CNc1ccccc1F 34a_100000210422_100011218378 [1,0,0,0,0,0|3,0,0]=4 1316 B13R1.528 CCC(O)CNc1ccccc1I 34a_100000210053_100011218378 [1,0,0,0,0,0|3,0,0]=4 1317 B13R1.528 CCC(O)CNc1ccccc1O 34a_100000185747_100011218378 [1,0,0,0,0,0|2,0,0]=3 1318 B13R1.528 CCC(O)CNc1ccncc1C 27a_100011218483_100000765111 [1,0,0,0,0,0|3,0,0]=4 1319 B13R1.528 CCC(O)COc1cccc[n+]1[O-] 7a_100000211761_100011218378 [1,0,0,0,0,0|2,0,1]=4 1320 B13R1.528 CCC(O)COc1ccccc1Br 34a_100000181306_100011218378 [1,0,0,0,0,0|2,0,0]=3 1321 B13R1.528 CCC(O)COc1ccccc1Br 7a_100000181306_100011218378 [1,0,0,0,0,0|2,0,0]=3 1322 B13R1.528 CCC(O)COc1ccccc1C 34a_100000210338_100011218378 [1,0,0,0,0,0|1,0,0]=2 1323 B13R1.528 CCC(O)COc1ccccc1C 7a_100000210338_100011218378 [1,0,0,0,0,0|1,0,0]=2 1324 B13R1.528 CCC(O)COc1ccccc1Cl 34a_100000210172_100011218378 [1,0,0,0,0,0|2,0,0]=3 1325 B13R1.528 CCC(O)COc1ccccc1Cl 7a_100000210172_100011218378 [1,0,0,0,0,0|2,0,0]=3 1326 B13R1.528 CCC(O)COc1ccccc1F 34a_100000210171_100011218378 [1,0,0,0,0,0|2,0,0]=3 1327 B13R1.528 CCC(O)COc1ccccc1F 7a_100000210171_100011218378 [1,0,0,0,0,0|2,0,0]=3 1328 B13R1.528 CCC(O)COc1ccccc1I 34a_100000739446_100011218378 [1,0,0,0,0,0|2,0,0]=3 1329 B13R1.528 CCC(O)COc1ccccc1I 7a_100000739446_100011218378 [1,0,0,0,0,0|2,0,0]=3 1330 B13R1.528 CCC(O)COc1ccccc1N 34a_100000185747_100011218378 [1,0,0,0,0,0|2,0,0]=3 1331 B13R1.528 CCC(O)COc1ccccc1N 7a_100000185747_100011218378 [1,0,0,0,0,0|2,0,0]=3 1332 B13R1.528 CCC(O)COc1cccnc1Br 34a_100000744436_100011218378 [1,0,0,0,0,0|3,0,0]=4 1333 B13R1.528 CCC(O)COc1cccnc1Br 7a_100000744436_100011218378 [1,0,0,0,0,0|3,0,0]=4 1334 B13R1.528 CCC(O)COc1cccnc1C 34a_100000745507_100011218378 [1,0,0,0,0,0|2,0,0]=3 1335 B13R1.528 CCC(O)COc1cccnc1C 7a_100000745507_100011218378 [1,0,0,0,0,0|2,0,0]=3 1336 B13R1.528 CCC(O)COc1cccnc1Cl 34a_100000757616_100011218378 [1,0,0,0,0,0|3,0,0]=4 1337 B13R1.528 CCC(O)COc1cccnc1Cl 7a_100000757616_100011218378 [1,0,0,0,0,0|3,0,0]=4 1338 B13R1.528 CCC(O)COc1cccnc1F 34a_100000061740_100011218378 [1,0,0,0,0,0|3,0,0]=4 1339 B13R1.528 CCC(O)COc1cccnc1F 7a_100000061740_100011218378 [1,0,0,0,0,0|3,0,0]=4 1340 B13R1.528 CCC(O)COc1cccnc1I 34a_100000034122_100011218378 [1,0,0,0,0,0|3,0,0]=4 1341 B13R1.528 CCC(O)COc1cccnc1I 7a_100000034122_100011218378 [1,0,0,0,0,0|3,0,0]=4 1342 B13R1.528 CCC(O)COc1cccnc1N 34a_100000211975_100011218378 [1,0,0,0,0,0|3,0,0]=4 1343 B13R1.528 CCC(O)COc1cccnc1N 7a_100000211975_100011218378 [1,0,0,0,0,0|3,0,0]=4 1344 B13R1.528 CCC(O)COc1cccoc1=O 34a_100000077404_100011218378 [1,0,0,0,0,0|2,0,1]=4 1345 B13R1.528 CCC(O)COc1cccoc1=O 7a_100000077404_100011218378 [1,0,0,0,0,0|2,0,1]=4 1346 B13R1.528 CCC(O)COc1ccncc1Br 34a_100011996408_100011218378 [1,0,0,0,0,0|3,0,0]=4 1347 B13R1.528 CCC(O)COc1ccncc1C 34a_100000694293_100011218378 [1,0,0,0,0,0|2,0,0]=3 1348 B13R1.528 CCC(O)COc1ccncc1Cl 34a_100011997054_100011218378 [1,0,0,0,0,0|3,0,0]=4 1349 B13R1.528 CCC(O)COc1ccncc1F 34a_200000081243_100011218378 [1,0,0,0,0,0|3,0,0]=4 1350 B13R1.528 CCC(O)COc1cnccc1C 34a_100011997053_100011218378 [1,0,0,0,0,0|2,0,0]=3 1351 B13R1.528 CCC(O)COc1cnccc1C 7a_100011997053_100011218378 [1,0,0,0,0,0|2,0,0]=3 1352 B13R1.528 CCC(O)COc1cnccc1Cl 34a_100011996695_100011218378 [1,0,0,0,0,0|3,0,0]=4 1353 B13R1.528 CCC(O)COc1cnccc1I 34a_100000050107_100011218378 [1,0,0,0,0,0|3,0,0]=4 1354 B13R1.528 CCC(O)COc1cnccc1N 34a_100000753702_100011218378 [1,0,0,0,0,0|3,0,0]=4 1355 B13R1.528 CCC(O)COc1coccc1=O 34a_100000060831_100011218378 [1,0,0,0,0,0|2,0,1]=4 1356 B13R1.528 CCC(O)COc1ncccc1Cl 34a_100011290957_100011218378 [1,0,0,0,0,0|3,0,0]=4 1357 B13R1.528 CCC(O)COc1ncccc1F 34a_100011219419_100011218378 [1,0,0,0,0,0|3,0,0]=4 1358 B13R1.528 CCC(O)COc1ncccc1N 34a_100000746358_100011218378 [1,0,0,0,0,0|3,0,0]=4 1359 B13R1.528 CCC(O)COc1nccnc1C 34a_100000766352_100011218378 [1,0,0,0,0,0|3,0,0]=4 1360 B13R1.528 CCC(O)CSc1cccc[n+]1C 62a_100011218378_100000212160 [1,0,0,0,0,0|2,1,0]=4 1361 B13R1.528 CCC(O)CSc1ccccc1Br 62a_100000695589_100011218378 [1,0,0,0,0,0|2,1,0]=4 1362 B13R1.528 CCC(O)CSc1ccccc1Br 62a_100011218378_100000695589 [1,0,0,0,0,0|2,1,0]=4 1363 B13R1.528 CCC(O)CSc1ccccc1C 62a_100000210755_100011218378 [1,0,0,0,0,0|1,1,0]=3 1364 B13R1.528 CCC(O)CSc1ccccc1C 62a_100011218378_100000210755 [1,0,0,0,0,0|1,1,0]=3 1365 B13R1.528 CCC(O)CSc1ccccc1Cl 62a_100000764095_100011218378 [1,0,0,0,0,0|2,1,0]=4 1366 B13R1.528 CCC(O)CSc1ccccc1Cl 62a_100011218378_100000764095 [1,0,0,0,0,0|2,1,0]=4 1367 B13R1.528 CCC(O)CSc1ccccc1F 62a_100011215700_100011218378 [1,0,0,0,0,0|2,1,0]=4 1368 B13R1.528 CCC(O)CSc1ccccc1F 62a_100011218378_100011215700 [1,0,0,0,0,0|2,1,0]=4 1369 B13R1.528 CCC(O)CSc1ccccc1N 62a_100000210017_100011218378 [1,0,0,0,0,0|2,1,0]=4 1370 B13R1.528 CCC(O)CSc1ccccc1N 62a_100011218378_100000210017 [1,0,0,0,0,0|2,1,0]=4 1371 B13R1.528 CCC(O)CSc1ccccc1O 62a_100000739446_100011218378 [1,0,0,0,0,0|1,1,0]=3 1372 B13R1.528 CCC(O)CSc1ccccc1O 62a_100011218378_100000739446 [1,0,0,0,0,0|1,1,0]=3 1373 B13R1.528 CCC(O)CSc1cccnc1C 62a_100000751574_100011218378 [1,0,0,0,0,0|2,1,0]=4 1374 B13R1.528 CCC(O)CSc1cccnc1C 62a_100011218378_100000751574 [1,0,0,0,0,0|2,1,0]=4 1375 B13R1.528 CCC(O)CSc1cccnc1O 62a_100000760158_100011218378 [1,0,0,0,0,0|2,1,0]=4 1376 B13R1.528 CCC(O)CSc1cccnc1O 62a_100011218378_100000760158 [1,0,0,0,0,0|2,1,0]=4 1377 B13R1.528 CCC(O)CSc1ccncc1C 62a_100000765111_100011218378 [1,0,0,0,0,0|2,1,0]=4 1378 B13R1.528 CCC(O)CSc1ccncc1C 62a_100011218378_100000765111 [1,0,0,0,0,0|2,1,0]=4 1379 B13R1.528 CCC(O)CSc1ccncc1O 62a_100009817591_100011218378 [1,0,0,0,0,0|2,1,0]=4 1380 B13R1.528 CCC(O)CSc1ccncc1O 62a_100011218378_100009817591 [1,0,0,0,0,0|2,1,0]=4 1381 B13R1.528 CCC(O)CSc1cnccc1C 62a_100000761580_100011218378 [1,0,0,0,0,0|2,1,0]=4 1382 B13R1.528 CCC(O)CSc1cnccc1C 62a_100011218378_100000761580 [1,0,0,0,0,0|2,1,0]=4 1383 B13R1.528 CCC(O)CSc1ncccc1C 62a_100000751373_100011218378 [1,0,0,0,0,0|2,1,0]=4 1384 B13R1.528 CCC(O)CSc1ncccc1C 62a_100011218378_100000751373 [1,0,0,0,0,0|2,1,0]=4 1385 B13R1.528 CCC(O)CSc1ncccc1O 62a_100000034122_100011218378 [1,0,0,0,0,0|2,1,0]=4 1386 B13R1.528 CCC(O)CSc1ncccc1O 62a_100011218378_100000034122 [1,0,0,0,0,0|2,1,0]=4 1387 B13R1.528 CC[C@H](C)CNc1ccccc1C 34a_100015192222_100009816398 [1,0,0,0,0,0|3,0,0]=4 1388 B13R1.528 CC[C@H](C)CNc1ccccc1O 34a_100000185747_100009816398 [1,0,0,0,0,0|3,0,0]=4 1389 B13R1.528 CC[C@H](C)COc1ccccc1Br 34a_100000181306_100009816398 [1,0,0,0,0,0|3,0,0]=4 1390 B13R1.528 CC[C@H](C)COc1ccccc1Br 7a_100000181306_100009816398 [1,0,0,0,0,0|3,0,0]=4 1391 B13R1.528 CC[C@H](C)COc1ccccc1C 34a_100000210338_100009816398 [1,0,0,0,0,0|2,0,0]=3 1392 B13R1.528 CC[C@H](C)COc1ccccc1C 7a_100000210338_100009816398 [1,0,0,0,0,0|2,0,0]=3 1393 B13R1.528 CC[C@H](C)COc1ccccc1Cl 34a_100000210172_100009816398 [1,0,0,0,0,0|3,0,0]=4 1394 B13R1.528 CC[C@H](C)COc1ccccc1Cl 7a_100000210172_100009816398 [1,0,0,0,0,0|3,0,0]=4 1395 B13R1.528 CC[C@H](C)COc1ccccc1F 34a_100000210171_100009816398 [1,0,0,0,0,0|3,0,0]=4 1396 B13R1.528 CC[C@H](C)COc1ccccc1F 7a_100000210171_100009816398 [1,0,0,0,0,0|3,0,0]=4 1397 B13R1.528 CC[C@H](C)COc1ccccc1I 34a_100000739446_100009816398 [1,0,0,0,0,0|3,0,0]=4 1398 B13R1.528 CC[C@H](C)COc1ccccc1I 7a_100000739446_100009816398 [1,0,0,0,0,0|3,0,0]=4 1399 B13R1.528 CC[C@H](C)COc1ccccc1N 34a_100000185747_100009816398 [1,0,0,0,0,0|3,0,0]=4 1400 B13R1.528 CC[C@H](C)COc1ccccc1N 7a_100000185747_100009816398 [1,0,0,0,0,0|3,0,0]=4 1401 B13R1.528 CC[C@H](C)COc1cccnc1C 34a_100000745507_100009816398 [1,0,0,0,0,0|3,0,0]=4 1402 B13R1.528 CC[C@H](C)COc1cccnc1C 7a_100000745507_100009816398 [1,0,0,0,0,0|3,0,0]=4 1403 B13R1.528 CC[C@H](C)COc1ccncc1C 34a_100000694293_100009816398 [1,0,0,0,0,0|3,0,0]=4 1404 B13R1.528 CC[C@H](C)COc1cnccc1C 34a_100011997053_100009816398 [1,0,0,0,0,0|3,0,0]=4 1405 B13R1.528 CC[C@H](C)COc1cnccc1C 7a_100011997053_100009816398 [1,0,0,0,0,0|3,0,0]=4 1406 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100000210755_100009816398 [1,0,0,0,0,0|2,1,0]=4 1407 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100009816398_100000210755 [1,0,0,0,0,0|2,1,0]=4 1408 B13R1.528 CC[C@H](C)CSc1ccccc1O 62a_100000739446_100009816398 [1,0,0,0,0,0|2,1,0]=4 1409 B13R1.528 CC[C@H](C)CSc1ccccc1O 62a_100009816398_100000739446 [1,0,0,0,0,0|2,1,0]=4 1410 B13R1.528 CNC(C)COc1ccccc1C 2230a_100000744241_200000210301 [1,0,0,0,0,0|3,0,0]=4 1411 B13R1.528 CNC(C)COc1ccccc1C 34a_100000744241_200000210301 [1,0,0,0,0,0|3,0,0]=4 1412 B13R1.528 COC(C)COc1ccccc1C 34a_200011217337_200000210301 [1,0,0,0,0,0|3,0,0]=4 1413 B13R1.528 COC(C)COc1ccccc1C 7a_200011217337_200000210301 [1,0,0,0,0,0|3,0,0]=4 1414 B13R1.528 C[C@@H](CO)CNc1ccccc1Br 34a_100000210017_100000059175 [1,0,0,0,0,0|3,0,0]=4 1415 B13R1.528 C[C@@H](CO)CNc1ccccc1Cl 34a_100000185783_100000059175 [1,0,0,0,0,0|3,0,0]=4 1416 B13R1.528 C[C@@H](CO)CNc1ccccc1F 34a_100000210422_100000059175 [1,0,0,0,0,0|3,0,0]=4 1417 B13R1.528 C[C@@H](CO)CNc1ccccc1I 34a_100000210053_100000059175 [1,0,0,0,0,0|3,0,0]=4 1418 B13R1.528 C[C@@H](CO)CNc1ccccc1O 34a_100000185747_100000059175 [1,0,0,0,0,0|2,0,0]=3 1419 B13R1.528 C[C@@H](CO)COc1cccc[n+]1[O-] 7a_100000211761_100000059175 [1,0,0,0,0,0|2,0,1]=4 1420 B13R1.528 C[C@@H](CO)COc1ccccc1Br 34a_100000181306_100000059175 [1,0,0,0,0,0|2,0,0]=3 1421 B13R1.528 C[C@@H](CO)COc1ccccc1Br 7a_100000181306_100000059175 [1,0,0,0,0,0|2,0,0]=3 1422 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 34a_100000210172_100000059175 [1,0,0,0,0,0|2,0,0]=3 1423 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 7a_100000210172_100000059175 [1,0,0,0,0,0|2,0,0]=3 1424 B13R1.528 C[C@@H](CO)COc1ccccc1F 34a_100000210171_100000059175 [1,0,0,0,0,0|2,0,0]=3 1425 B13R1.528 C[C@@H](CO)COc1ccccc1F 7a_100000210171_100000059175 [1,0,0,0,0,0|2,0,0]=3 1426 B13R1.528 C[C@@H](CO)COc1ccccc1I 34a_100000739446_100000059175 [1,0,0,0,0,0|2,0,0]=3 1427 B13R1.528 C[C@@H](CO)COc1ccccc1I 7a_100000739446_100000059175 [1,0,0,0,0,0|2,0,0]=3 1428 B13R1.528 C[C@@H](CO)COc1ccccc1N 34a_100000185747_100000059175 [1,0,0,0,0,0|2,0,0]=3 1429 B13R1.528 C[C@@H](CO)COc1ccccc1N 7a_100000185747_100000059175 [1,0,0,0,0,0|2,0,0]=3 1430 B13R1.528 C[C@@H](CO)COc1cccnc1Br 34a_100000744436_100000059175 [1,0,0,0,0,0|3,0,0]=4 1431 B13R1.528 C[C@@H](CO)COc1cccnc1Br 7a_100000744436_100000059175 [1,0,0,0,0,0|3,0,0]=4 1432 B13R1.528 C[C@@H](CO)COc1cccnc1Cl 34a_100000757616_100000059175 [1,0,0,0,0,0|3,0,0]=4 1433 B13R1.528 C[C@@H](CO)COc1cccnc1Cl 7a_100000757616_100000059175 [1,0,0,0,0,0|3,0,0]=4 1434 B13R1.528 C[C@@H](CO)COc1cccnc1F 34a_100000061740_100000059175 [1,0,0,0,0,0|3,0,0]=4 1435 B13R1.528 C[C@@H](CO)COc1cccnc1F 7a_100000061740_100000059175 [1,0,0,0,0,0|3,0,0]=4 1436 B13R1.528 C[C@@H](CO)COc1cccnc1I 34a_100000034122_100000059175 [1,0,0,0,0,0|3,0,0]=4 1437 B13R1.528 C[C@@H](CO)COc1cccnc1I 7a_100000034122_100000059175 [1,0,0,0,0,0|3,0,0]=4 1438 B13R1.528 C[C@@H](CO)COc1cccnc1N 34a_100000211975_100000059175 [1,0,0,0,0,0|3,0,0]=4 1439 B13R1.528 C[C@@H](CO)COc1cccnc1N 7a_100000211975_100000059175 [1,0,0,0,0,0|3,0,0]=4 1440 B13R1.528 C[C@@H](CO)COc1cccoc1=O 34a_100000077404_100000059175 [1,0,0,0,0,0|2,0,1]=4 1441 B13R1.528 C[C@@H](CO)COc1cccoc1=O 7a_100000077404_100000059175 [1,0,0,0,0,0|2,0,1]=4 1442 B13R1.528 C[C@@H](CO)COc1ccncc1Br 34a_100011996408_100000059175 [1,0,0,0,0,0|3,0,0]=4 1443 B13R1.528 C[C@@H](CO)COc1ccncc1Cl 34a_100011997054_100000059175 [1,0,0,0,0,0|3,0,0]=4 1444 B13R1.528 C[C@@H](CO)COc1ccncc1F 34a_200000081243_100000059175 [1,0,0,0,0,0|3,0,0]=4 1445 B13R1.528 C[C@@H](CO)COc1cnccc1Cl 34a_100011996695_100000059175 [1,0,0,0,0,0|3,0,0]=4 1446 B13R1.528 C[C@@H](CO)COc1cnccc1I 34a_100000050107_100000059175 [1,0,0,0,0,0|3,0,0]=4 1447 B13R1.528 C[C@@H](CO)COc1cnccc1N 34a_100000753702_100000059175 [1,0,0,0,0,0|3,0,0]=4 1448 B13R1.528 C[C@@H](CO)COc1coccc1=O 34a_100000060831_100000059175 [1,0,0,0,0,0|2,0,1]=4 1449 B13R1.528 C[C@@H](CO)COc1ncccc1Cl 34a_100011290957_100000059175 [1,0,0,0,0,0|3,0,0]=4 1450 B13R1.528 C[C@@H](CO)COc1ncccc1F 34a_100011219419_100000059175 [1,0,0,0,0,0|3,0,0]=4 1451 B13R1.528 C[C@@H](CO)COc1ncccc1N 34a_100000746358_100000059175 [1,0,0,0,0,0|3,0,0]=4 1452 B13R1.528 C[C@@H](CO)CSc1cccc[n+]1C 62a_100000059175_100000212160 [1,0,0,0,0,0|2,1,0]=4 1453 B13R1.528 C[C@@H](CO)CSc1ccccc1Br 62a_100000059175_100000695589 [1,0,0,0,0,0|2,1,0]=4 1454 B13R1.528 C[C@@H](CO)CSc1ccccc1Br 62a_100000695589_100000059175 [1,0,0,0,0,0|2,1,0]=4 1455 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000059175_100000764095 [1,0,0,0,0,0|2,1,0]=4 1456 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000764095_100000059175 [1,0,0,0,0,0|2,1,0]=4 1457 B13R1.528 C[C@@H](CO)CSc1ccccc1F 62a_100000059175_100011215700 [1,0,0,0,0,0|2,1,0]=4 1458 B13R1.528 C[C@@H](CO)CSc1ccccc1F 62a_100011215700_100000059175 [1,0,0,0,0,0|2,1,0]=4 1459 B13R1.528 C[C@@H](CO)CSc1ccccc1N 62a_100000059175_100000210017 [1,0,0,0,0,0|2,1,0]=4 1460 B13R1.528 C[C@@H](CO)CSc1ccccc1N 62a_100000210017_100000059175 [1,0,0,0,0,0|2,1,0]=4 1461 B13R1.528 C[C@@H](CO)CSc1ccccc1O 62a_100000059175_100000739446 [1,0,0,0,0,0|1,1,0]=3 1462 B13R1.528 C[C@@H](CO)CSc1ccccc1O 62a_100000739446_100000059175 [1,0,0,0,0,0|1,1,0]=3 1463 B13R1.528 C[C@@H](CO)CSc1cccnc1O 62a_100000059175_100000760158 [1,0,0,0,0,0|2,1,0]=4 1464 B13R1.528 C[C@@H](CO)CSc1cccnc1O 62a_100000760158_100000059175 [1,0,0,0,0,0|2,1,0]=4 1465 B13R1.528 C[C@@H](CO)CSc1ccncc1O 62a_100000059175_100009817591 [1,0,0,0,0,0|2,1,0]=4 1466 B13R1.528 C[C@@H](CO)CSc1ccncc1O 62a_100009817591_100000059175 [1,0,0,0,0,0|2,1,0]=4 1467 B13R1.528 C[C@@H](CO)CSc1ncccc1O 62a_100000034122_100000059175 [1,0,0,0,0,0|2,1,0]=4 1468 B13R1.528 C[C@@H](CO)CSc1ncccc1O 62a_100000059175_100000034122 [1,0,0,0,0,0|2,1,0]=4 1469 B13R1.528 C[n+]1ccccc1SCC(O)CO 62a_100011219619_100000212160 [1,0,0,0,0,0|1,1,0]=3 1470 B13R1.528 C[n+]1ccccc1SC[C@@H](O)CF 62a_100015614560_100000212160 [1,0,0,0,0,0|2,1,0]=4 1471 B13R1.528 C[n+]1ccccc1SC[C@@H](O)CO 62a_100009815848_100000212160 [1,0,0,0,0,0|1,1,0]=3 1472 B13R1.528 Cc1ccccc1CCC(=O)CO 1458a_100000210174_100011713688 [1,0,0,0,0,0|1,0,2]=4 1473 B13R1.528 Cc1ccccc1CNC(C)CO 34a_100000174972_100012180447 [1,0,0,0,0,0|3,0,0]=4 1474 B13R1.528 Cc1ccccc1CN[C@H](C)CO 207a_100000737577_100000211143 [1,0,0,0,0,0|3,0,0]=4 1475 B13R1.528 Cc1ccccc1CN[C@H](C)CO 2230a_100000737577_100000211839 [1,0,0,0,0,0|3,0,0]=4 1476 B13R1.528 Cc1ccccc1CN[C@H](C)CO 270004a_100000737577_100000211143 [1,0,0,0,0,0|3,0,0]=4 1477 B13R1.528 Cc1ccccc1COC(C)CO 34a_100000698903_100012180447 [1,0,0,0,0,0|3,0,0]=4 1478 B13R1.528 Cc1ccccc1COC(C)CO 7a_100000698903_100012180447 [1,0,0,0,0,0|3,0,0]=4 1479 B13R1.528 Cc1ccccc1CSC(C)CO 62a_100012180447_100000211839 [1,0,0,0,0,0|3,0,0]=4 1480 B13R1.528 Cc1ccccc1CS[C@H](C)CO 62a_100000211839_100016084084 [1,0,0,0,0,0|3,0,0]=4 1481 B13R1.528 Cc1ccccc1CS[C@H](C)CO 62a_100016084084_100000211839 [1,0,0,0,0,0|3,0,0]=4 1482 B13R1.528 Cc1ccccc1NCC(O)CO 34a_100015192222_100011219619 [1,0,0,0,0,0|1,0,0]=2 1483 B13R1.528 Cc1ccccc1NC[C@@H](C)CO 34a_100015192222_100000059175 [1,0,0,0,0,0|2,0,0]=3 1484 B13R1.528 Cc1ccccc1NC[C@@H](O)CF 34a_100015192222_100015614560 [1,0,0,0,0,0|2,0,0]=3 1485 B13R1.528 Cc1ccccc1NC[C@@H](O)CO 34a_100015192222_100009815848 [1,0,0,0,0,0|1,0,0]=2 1486 B13R1.528 Cc1ccccc1OCC(=O)CF 1458a_100000182418_100015361967 [1,0,0,0,0,0|1,0,2]=4 1487 B13R1.528 Cc1ccccc1OCC(C)N[13CH3] 2230a_100000744241_200025704644 [1,0,0,0,0,0|3,0,0]=4 1488 B13R1.528 Cc1ccccc1OCC(C)N[13CH3] 34a_100000744241_200025704644 [1,0,0,0,0,0|3,0,0]=4 1489 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 34a_200011217337_200025704644 [1,0,0,0,0,0|3,0,0]=4 1490 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 7a_200011217337_200025704644 [1,0,0,0,0,0|3,0,0]=4 1491 B13R1.528 Cc1ccccc1OCC(O)CO 34a_100000210338_100011219619 [1,0,0,0,0,0|0,0,0]=1 1492 B13R1.528 Cc1ccccc1OCC(O)CO 7a_100000210338_100011219619 [1,0,0,0,0,0|0,0,0]=1 1493 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 34a_100000210338_100000059175 [1,0,0,0,0,0|1,0,0]=2 1494 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 7a_100000210338_100000059175 [1,0,0,0,0,0|1,0,0]=2 1495 B13R1.528 Cc1ccccc1OC[C@@H](O)CF 34a_100000210338_100015614560 [1,0,0,0,0,0|1,0,0]=2 1496 B13R1.528 Cc1ccccc1OC[C@@H](O)CF 7a_100000210338_100015614560 [1,0,0,0,0,0|1,0,0]=2 1497 B13R1.528 Cc1ccccc1OC[C@@H](O)CO 34a_100000210338_100009815848 [1,0,0,0,0,0|0,0,0]=1 1498 B13R1.528 Cc1ccccc1OC[C@@H](O)CO 7a_100000210338_100009815848 [1,0,0,0,0,0|0,0,0]=1 1499 B13R1.528 Cc1ccccc1SCC(O)CO 62a_100000210755_100011219619 [1,0,0,0,0,0|0,1,0]=2 1500 B13R1.528 Cc1ccccc1SCC(O)CO 62a_100011219619_100000210755 [1,0,0,0,0,0|0,1,0]=2 1501 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000210755 [1,0,0,0,0,0|1,1,0]=3 1502 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000210755_100000059175 [1,0,0,0,0,0|1,1,0]=3 1503 B13R1.528 Cc1ccccc1SC[C@@H](O)CF 62a_100000210755_100015614560 [1,0,0,0,0,0|1,1,0]=3 1504 B13R1.528 Cc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000210755 [1,0,0,0,0,0|1,1,0]=3 1505 B13R1.528 Cc1ccccc1SC[C@@H](O)CO 62a_100000210755_100009815848 [1,0,0,0,0,0|0,1,0]=2 1506 B13R1.528 Cc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000210755 [1,0,0,0,0,0|0,1,0]=2 1507 B13R1.528 Cc1cccnc1SCC(O)CO 62a_100000751373_100011219619 [1,0,0,0,0,0|1,1,0]=3 1508 B13R1.528 Cc1cccnc1SCC(O)CO 62a_100011219619_100000751373 [1,0,0,0,0,0|1,1,0]=3 1509 B13R1.528 Cc1cccnc1SC[C@@H](C)CO 62a_100000059175_100000751373 [1,0,0,0,0,0|2,1,0]=4 1510 B13R1.528 Cc1cccnc1SC[C@@H](C)CO 62a_100000751373_100000059175 [1,0,0,0,0,0|2,1,0]=4 1511 B13R1.528 Cc1cccnc1SC[C@@H](O)CF 62a_100000751373_100015614560 [1,0,0,0,0,0|2,1,0]=4 1512 B13R1.528 Cc1cccnc1SC[C@@H](O)CF 62a_100015614560_100000751373 [1,0,0,0,0,0|2,1,0]=4 1513 B13R1.528 Cc1cccnc1SC[C@@H](O)CO 62a_100000751373_100009815848 [1,0,0,0,0,0|1,1,0]=3 1514 B13R1.528 Cc1cccnc1SC[C@@H](O)CO 62a_100009815848_100000751373 [1,0,0,0,0,0|1,1,0]=3 1515 B13R1.528 Cc1ccncc1OCC(O)CO 34a_100011997053_100011219619 [1,0,0,0,0,0|1,0,0]=2 1516 B13R1.528 Cc1ccncc1OCC(O)CO 7a_100011997053_100011219619 [1,0,0,0,0,0|1,0,0]=2 1517 B13R1.528 Cc1ccncc1OC[C@@H](C)CO 34a_100011997053_100000059175 [1,0,0,0,0,0|2,0,0]=3 1518 B13R1.528 Cc1ccncc1OC[C@@H](C)CO 7a_100011997053_100000059175 [1,0,0,0,0,0|2,0,0]=3 1519 B13R1.528 Cc1ccncc1OC[C@@H](O)CF 34a_100011997053_100015614560 [1,0,0,0,0,0|2,0,0]=3 1520 B13R1.528 Cc1ccncc1OC[C@@H](O)CF 7a_100011997053_100015614560 [1,0,0,0,0,0|2,0,0]=3 1521 B13R1.528 Cc1ccncc1OC[C@@H](O)CO 34a_100011997053_100009815848 [1,0,0,0,0,0|1,0,0]=2 1522 B13R1.528 Cc1ccncc1OC[C@@H](O)CO 7a_100011997053_100009815848 [1,0,0,0,0,0|1,0,0]=2 1523 B13R1.528 Cc1ccncc1SCC(O)CO 62a_100000761580_100011219619 [1,0,0,0,0,0|1,1,0]=3 1524 B13R1.528 Cc1ccncc1SCC(O)CO 62a_100011219619_100000761580 [1,0,0,0,0,0|1,1,0]=3 1525 B13R1.528 Cc1ccncc1SC[C@@H](C)CO 62a_100000059175_100000761580 [1,0,0,0,0,0|2,1,0]=4 1526 B13R1.528 Cc1ccncc1SC[C@@H](C)CO 62a_100000761580_100000059175 [1,0,0,0,0,0|2,1,0]=4 1527 B13R1.528 Cc1ccncc1SC[C@@H](O)CF 62a_100000761580_100015614560 [1,0,0,0,0,0|2,1,0]=4 1528 B13R1.528 Cc1ccncc1SC[C@@H](O)CF 62a_100015614560_100000761580 [1,0,0,0,0,0|2,1,0]=4 1529 B13R1.528 Cc1ccncc1SC[C@@H](O)CO 62a_100000761580_100009815848 [1,0,0,0,0,0|1,1,0]=3 1530 B13R1.528 Cc1ccncc1SC[C@@H](O)CO 62a_100009815848_100000761580 [1,0,0,0,0,0|1,1,0]=3 1531 B13R1.528 Cc1ccnnc1NC[C@H](O)CO 27a_100020644852_100000089043 [1,0,0,0,0,0|3,0,0]=4 1532 B13R1.528 Cc1ccnnc1SCC(O)CO 62a_100011219619_100000089043 [1,0,0,0,0,0|2,1,0]=4 1533 B13R1.528 Cc1ccnnc1SC[C@@H](O)CO 62a_100009815848_100000089043 [1,0,0,0,0,0|2,1,0]=4 1534 B13R1.528 Cc1cnccc1NCC(C)CO 27a_100000744482_100000765111 [1,0,0,0,0,0|3,0,0]=4 1535 B13R1.528 Cc1cnccc1NC[C@@H](F)CO 27a_100015665980_100000765111 [1,0,0,0,0,0|3,0,0]=4 1536 B13R1.528 Cc1cnccc1NC[C@H](O)CO 27a_100020644852_100000765111 [1,0,0,0,0,0|2,0,0]=3 1537 B13R1.528 Cc1cnccc1OCC(O)CO 34a_100000694293_100011219619 [1,0,0,0,0,0|1,0,0]=2 1538 B13R1.528 Cc1cnccc1OC[C@@H](C)CO 34a_100000694293_100000059175 [1,0,0,0,0,0|2,0,0]=3 1539 B13R1.528 Cc1cnccc1OC[C@@H](O)CF 34a_100000694293_100015614560 [1,0,0,0,0,0|2,0,0]=3 1540 B13R1.528 Cc1cnccc1OC[C@@H](O)CO 34a_100000694293_100009815848 [1,0,0,0,0,0|1,0,0]=2 1541 B13R1.528 Cc1cnccc1SCC(O)CO 62a_100000765111_100011219619 [1,0,0,0,0,0|1,1,0]=3 1542 B13R1.528 Cc1cnccc1SCC(O)CO 62a_100011219619_100000765111 [1,0,0,0,0,0|1,1,0]=3 1543 B13R1.528 Cc1cnccc1SC[C@@H](C)CO 62a_100000059175_100000765111 [1,0,0,0,0,0|2,1,0]=4 1544 B13R1.528 Cc1cnccc1SC[C@@H](C)CO 62a_100000765111_100000059175 [1,0,0,0,0,0|2,1,0]=4 1545 B13R1.528 Cc1cnccc1SC[C@@H](O)CF 62a_100000765111_100015614560 [1,0,0,0,0,0|2,1,0]=4 1546 B13R1.528 Cc1cnccc1SC[C@@H](O)CF 62a_100015614560_100000765111 [1,0,0,0,0,0|2,1,0]=4 1547 B13R1.528 Cc1cnccc1SC[C@@H](O)CO 62a_100000765111_100009815848 [1,0,0,0,0,0|1,1,0]=3 1548 B13R1.528 Cc1cnccc1SC[C@@H](O)CO 62a_100009815848_100000765111 [1,0,0,0,0,0|1,1,0]=3 1549 B13R1.528 Cc1cncnc1NC[C@H](O)CO 27a_100020644852_100011998708 [1,0,0,0,0,0|3,0,0]=4 1550 B13R1.528 Cc1cncnc1SCC(O)CO 62a_100011219619_100011998708 [1,0,0,0,0,0|2,1,0]=4 1551 B13R1.528 Cc1cncnc1SCC(O)CO 62a_100011998708_100011219619 [1,0,0,0,0,0|2,1,0]=4 1552 B13R1.528 Cc1cncnc1SC[C@@H](O)CO 62a_100009815848_100011998708 [1,0,0,0,0,0|2,1,0]=4 1553 B13R1.528 Cc1cncnc1SC[C@@H](O)CO 62a_100011998708_100009815848 [1,0,0,0,0,0|2,1,0]=4 1554 B13R1.528 Cc1ncccc1OCC(O)CO 34a_100000745507_100011219619 [1,0,0,0,0,0|1,0,0]=2 1555 B13R1.528 Cc1ncccc1OCC(O)CO 7a_100000745507_100011219619 [1,0,0,0,0,0|1,0,0]=2 1556 B13R1.528 Cc1ncccc1OC[C@@H](C)CO 34a_100000745507_100000059175 [1,0,0,0,0,0|2,0,0]=3 1557 B13R1.528 Cc1ncccc1OC[C@@H](C)CO 7a_100000745507_100000059175 [1,0,0,0,0,0|2,0,0]=3 1558 B13R1.528 Cc1ncccc1OC[C@@H](O)CF 34a_100000745507_100015614560 [1,0,0,0,0,0|2,0,0]=3 1559 B13R1.528 Cc1ncccc1OC[C@@H](O)CF 7a_100000745507_100015614560 [1,0,0,0,0,0|2,0,0]=3 1560 B13R1.528 Cc1ncccc1OC[C@@H](O)CO 34a_100000745507_100009815848 [1,0,0,0,0,0|1,0,0]=2 1561 B13R1.528 Cc1ncccc1OC[C@@H](O)CO 7a_100000745507_100009815848 [1,0,0,0,0,0|1,0,0]=2 1562 B13R1.528 Cc1ncccc1SCC(O)CO 62a_100000751574_100011219619 [1,0,0,0,0,0|1,1,0]=3 1563 B13R1.528 Cc1ncccc1SCC(O)CO 62a_100011219619_100000751574 [1,0,0,0,0,0|1,1,0]=3 1564 B13R1.528 Cc1ncccc1SC[C@@H](C)CO 62a_100000059175_100000751574 [1,0,0,0,0,0|2,1,0]=4 1565 B13R1.528 Cc1ncccc1SC[C@@H](C)CO 62a_100000751574_100000059175 [1,0,0,0,0,0|2,1,0]=4 1566 B13R1.528 Cc1ncccc1SC[C@@H](O)CF 62a_100000751574_100015614560 [1,0,0,0,0,0|2,1,0]=4 1567 B13R1.528 Cc1ncccc1SC[C@@H](O)CF 62a_100015614560_100000751574 [1,0,0,0,0,0|2,1,0]=4 1568 B13R1.528 Cc1ncccc1SC[C@@H](O)CO 62a_100000751574_100009815848 [1,0,0,0,0,0|1,1,0]=3 1569 B13R1.528 Cc1ncccc1SC[C@@H](O)CO 62a_100009815848_100000751574 [1,0,0,0,0,0|1,1,0]=3 1570 B13R1.528 Cc1nccnc1NC[C@H](O)CO 27a_100020644852_100011999405 [1,0,0,0,0,0|3,0,0]=4 1571 B13R1.528 Cc1nccnc1OCC(O)CO 34a_100000766352_100011219619 [1,0,0,0,0,0|2,0,0]=3 1572 B13R1.528 Cc1nccnc1OC[C@@H](C)CO 34a_100000766352_100000059175 [1,0,0,0,0,0|3,0,0]=4 1573 B13R1.528 Cc1nccnc1OC[C@@H](O)CF 34a_100000766352_100015614560 [1,0,0,0,0,0|3,0,0]=4 1574 B13R1.528 Cc1nccnc1OC[C@@H](O)CO 34a_100000766352_100009815848 [1,0,0,0,0,0|2,0,0]=3 1575 B13R1.528 Cc1nccnc1SCC(O)CO 62a_100011219619_100011999405 [1,0,0,0,0,0|2,1,0]=4 1576 B13R1.528 Cc1nccnc1SCC(O)CO 62a_100011999405_100011219619 [1,0,0,0,0,0|2,1,0]=4 1577 B13R1.528 Cc1nccnc1SC[C@@H](O)CO 62a_100009815848_100011999405 [1,0,0,0,0,0|2,1,0]=4 1578 B13R1.528 Cc1nccnc1SC[C@@H](O)CO 62a_100011999405_100009815848 [1,0,0,0,0,0|2,1,0]=4 1579 B13R1.528 Cc1ncncc1SCC(O)CO 62a_100009819671_100011219619 [1,0,0,0,0,0|2,1,0]=4 1580 B13R1.528 Cc1ncncc1SCC(O)CO 62a_100011219619_100009819671 [1,0,0,0,0,0|2,1,0]=4 1581 B13R1.528 Cc1ncncc1SC[C@@H](O)CO 62a_100009815848_100009819671 [1,0,0,0,0,0|2,1,0]=4 1582 B13R1.528 Cc1ncncc1SC[C@@H](O)CO 62a_100009819671_100009815848 [1,0,0,0,0,0|2,1,0]=4 1583 B13R1.528 Nc1ccccc1OCC(O)CO 34a_100000185747_100011219619 [1,0,0,0,0,0|1,0,0]=2 1584 B13R1.528 Nc1ccccc1OCC(O)CO 7a_100000185747_100011219619 [1,0,0,0,0,0|1,0,0]=2 1585 B13R1.528 Nc1ccccc1OC[C@@H](O)CF 34a_100000185747_100015614560 [1,0,0,0,0,0|2,0,0]=3 1586 B13R1.528 Nc1ccccc1OC[C@@H](O)CF 7a_100000185747_100015614560 [1,0,0,0,0,0|2,0,0]=3 1587 B13R1.528 Nc1ccccc1OC[C@@H](O)CO 34a_100000185747_100009815848 [1,0,0,0,0,0|1,0,0]=2 1588 B13R1.528 Nc1ccccc1OC[C@@H](O)CO 7a_100000185747_100009815848 [1,0,0,0,0,0|1,0,0]=2 1589 B13R1.528 Nc1ccccc1SCC(O)CO 62a_100000210017_100011219619 [1,0,0,0,0,0|1,1,0]=3 1590 B13R1.528 Nc1ccccc1SCC(O)CO 62a_100011219619_100000210017 [1,0,0,0,0,0|1,1,0]=3 1591 B13R1.528 Nc1ccccc1SC[C@@H](O)CF 62a_100000210017_100015614560 [1,0,0,0,0,0|2,1,0]=4 1592 B13R1.528 Nc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000210017 [1,0,0,0,0,0|2,1,0]=4 1593 B13R1.528 Nc1ccccc1SC[C@@H](O)CO 62a_100000210017_100009815848 [1,0,0,0,0,0|1,1,0]=3 1594 B13R1.528 Nc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000210017 [1,0,0,0,0,0|1,1,0]=3 1595 B13R1.528 Nc1cccnc1OCC(O)CO 34a_100000746358_100011219619 [1,0,0,0,0,0|2,0,0]=3 1596 B13R1.528 Nc1cccnc1OC[C@@H](O)CF 34a_100000746358_100015614560 [1,0,0,0,0,0|3,0,0]=4 1597 B13R1.528 Nc1cccnc1OC[C@@H](O)CO 34a_100000746358_100009815848 [1,0,0,0,0,0|2,0,0]=3 1598 B13R1.528 Nc1cccnc1SCC(O)CO 62a_100000688686_100011219619 [1,0,0,0,0,0|2,1,0]=4 1599 B13R1.528 Nc1cccnc1SCC(O)CO 62a_100011219619_100000688686 [1,0,0,0,0,0|2,1,0]=4 1600 B13R1.528 Nc1cccnc1SC[C@@H](O)CO 62a_100000688686_100009815848 [1,0,0,0,0,0|2,1,0]=4 1601 B13R1.528 Nc1cccnc1SC[C@@H](O)CO 62a_100009815848_100000688686 [1,0,0,0,0,0|2,1,0]=4 1602 B13R1.528 Nc1ccncc1OCC(O)CO 34a_100000753702_100011219619 [1,0,0,0,0,0|2,0,0]=3 1603 B13R1.528 Nc1ccncc1OC[C@@H](O)CF 34a_100000753702_100015614560 [1,0,0,0,0,0|3,0,0]=4 1604 B13R1.528 Nc1ccncc1OC[C@@H](O)CO 34a_100000753702_100009815848 [1,0,0,0,0,0|2,0,0]=3 1605 B13R1.528 Nc1ccncc1SCC(O)CO 62a_100000047001_100011219619 [1,0,0,0,0,0|2,1,0]=4 1606 B13R1.528 Nc1ccncc1SCC(O)CO 62a_100011219619_100000047001 [1,0,0,0,0,0|2,1,0]=4 1607 B13R1.528 Nc1ccncc1SC[C@@H](O)CO 62a_100000047001_100009815848 [1,0,0,0,0,0|2,1,0]=4 1608 B13R1.528 Nc1ccncc1SC[C@@H](O)CO 62a_100009815848_100000047001 [1,0,0,0,0,0|2,1,0]=4 1609 B13R1.528 Nc1cnccc1SCC(O)CO 62a_100000756074_100011219619 [1,0,0,0,0,0|2,1,0]=4 1610 B13R1.528 Nc1cnccc1SCC(O)CO 62a_100011219619_100000756074 [1,0,0,0,0,0|2,1,0]=4 1611 B13R1.528 Nc1cnccc1SC[C@@H](O)CO 62a_100000756074_100009815848 [1,0,0,0,0,0|2,1,0]=4 1612 B13R1.528 Nc1cnccc1SC[C@@H](O)CO 62a_100009815848_100000756074 [1,0,0,0,0,0|2,1,0]=4 1613 B13R1.528 Nc1ncccc1OCC(O)CO 34a_100000211975_100011219619 [1,0,0,0,0,0|2,0,0]=3 1614 B13R1.528 Nc1ncccc1OCC(O)CO 7a_100000211975_100011219619 [1,0,0,0,0,0|2,0,0]=3 1615 B13R1.528 Nc1ncccc1OC[C@@H](O)CF 34a_100000211975_100015614560 [1,0,0,0,0,0|3,0,0]=4 1616 B13R1.528 Nc1ncccc1OC[C@@H](O)CF 7a_100000211975_100015614560 [1,0,0,0,0,0|3,0,0]=4 1617 B13R1.528 Nc1ncccc1OC[C@@H](O)CO 34a_100000211975_100009815848 [1,0,0,0,0,0|2,0,0]=3 1618 B13R1.528 Nc1ncccc1OC[C@@H](O)CO 7a_100000211975_100009815848 [1,0,0,0,0,0|2,0,0]=3 1619 B13R1.528 Nc1ncccc1SCC(O)CO 62a_100000045569_100011219619 [1,0,0,0,0,0|2,1,0]=4 1620 B13R1.528 Nc1ncccc1SCC(O)CO 62a_100011219619_100000045569 [1,0,0,0,0,0|2,1,0]=4 1621 B13R1.528 Nc1ncccc1SC[C@@H](O)CO 62a_100000045569_100009815848 [1,0,0,0,0,0|2,1,0]=4 1622 B13R1.528 Nc1ncccc1SC[C@@H](O)CO 62a_100009815848_100000045569 [1,0,0,0,0,0|2,1,0]=4 1623 B13R1.528 Nc1ncncc1OCC(O)CO 7a_100000112926_100011219619 [1,0,0,0,0,0|3,0,0]=4 1624 B13R1.528 Nc1ncncc1OC[C@@H](O)CO 7a_100000112926_100009815848 [1,0,0,0,0,0|3,0,0]=4 1625 B13R1.528 O=C(CF)COc1ccccc1O 1458a_100000183020_100015361967 [1,0,0,0,0,0|1,0,2]=4 1626 B13R1.528 O=C(CO)CCc1ccccc1O 1458a_100000210174_100000722297 [1,0,0,0,0,0|1,0,2]=4 1627 B13R1.528 O=c1cc[nH]cc1SCC(O)CO 62a_100009998708_100011219619 [1,0,0,0,0,0|1,1,1]=4 1628 B13R1.528 O=c1cc[nH]cc1SCC(O)CO 62a_100011219619_100009998708 [1,0,0,0,0,0|1,1,1]=4 1629 B13R1.528 O=c1cc[nH]cc1SC[C@@H](O)CO 62a_100009815848_100009998708 [1,0,0,0,0,0|1,1,1]=4 1630 B13R1.528 O=c1cc[nH]cc1SC[C@@H](O)CO 62a_100009998708_100009815848 [1,0,0,0,0,0|1,1,1]=4 1631 B13R1.528 O=c1ccocc1OCC(O)CO 34a_100000060831_100011219619 [1,0,0,0,0,0|1,0,1]=3 1632 B13R1.528 O=c1ccocc1OC[C@@H](O)CF 34a_100000060831_100015614560 [1,0,0,0,0,0|2,0,1]=4 1633 B13R1.528 O=c1ccocc1OC[C@@H](O)CO 34a_100000060831_100009815848 [1,0,0,0,0,0|1,0,1]=3 1634 B13R1.528 O=c1occcc1OCC(O)CO 34a_100000077404_100011219619 [1,0,0,0,0,0|1,0,1]=3 1635 B13R1.528 O=c1occcc1OCC(O)CO 7a_100000077404_100011219619 [1,0,0,0,0,0|1,0,1]=3 1636 B13R1.528 O=c1occcc1OC[C@@H](O)CF 34a_100000077404_100015614560 [1,0,0,0,0,0|2,0,1]=4 1637 B13R1.528 O=c1occcc1OC[C@@H](O)CF 7a_100000077404_100015614560 [1,0,0,0,0,0|2,0,1]=4 1638 B13R1.528 O=c1occcc1OC[C@@H](O)CO 34a_100000077404_100009815848 [1,0,0,0,0,0|1,0,1]=3 1639 B13R1.528 O=c1occcc1OC[C@@H](O)CO 7a_100000077404_100009815848 [1,0,0,0,0,0|1,0,1]=3 1640 B13R1.528 OCC(O)CNc1ccccc1Br 34a_100000210017_100011219619 [1,0,0,0,0,0|2,0,0]=3 1641 B13R1.528 OCC(O)CNc1ccccc1Cl 34a_100000185783_100011219619 [1,0,0,0,0,0|2,0,0]=3 1642 B13R1.528 OCC(O)CNc1ccccc1F 34a_100000210422_100011219619 [1,0,0,0,0,0|2,0,0]=3 1643 B13R1.528 OCC(O)CNc1ccccc1I 34a_100000210053_100011219619 [1,0,0,0,0,0|2,0,0]=3 1644 B13R1.528 OCC(O)CNc1ccccc1O 34a_100000185747_100011219619 [1,0,0,0,0,0|1,0,0]=2 1645 B13R1.528 OCC(O)COc1ccccc1Br 34a_100000181306_100011219619 [1,0,0,0,0,0|1,0,0]=2 1646 B13R1.528 OCC(O)COc1ccccc1Br 7a_100000181306_100011219619 [1,0,0,0,0,0|1,0,0]=2 1647 B13R1.528 OCC(O)COc1ccccc1Cl 34a_100000210172_100011219619 [1,0,0,0,0,0|1,0,0]=2 1648 B13R1.528 OCC(O)COc1ccccc1Cl 7a_100000210172_100011219619 [1,0,0,0,0,0|1,0,0]=2 1649 B13R1.528 OCC(O)COc1ccccc1F 34a_100000210171_100011219619 [1,0,0,0,0,0|1,0,0]=2 1650 B13R1.528 OCC(O)COc1ccccc1F 7a_100000210171_100011219619 [1,0,0,0,0,0|1,0,0]=2 1651 B13R1.528 OCC(O)COc1ccccc1I 34a_100000739446_100011219619 [1,0,0,0,0,0|1,0,0]=2 1652 B13R1.528 OCC(O)COc1ccccc1I 7a_100000739446_100011219619 [1,0,0,0,0,0|1,0,0]=2 1653 B13R1.528 OCC(O)COc1cccnc1Br 34a_100000744436_100011219619 [1,0,0,0,0,0|2,0,0]=3 1654 B13R1.528 OCC(O)COc1cccnc1Br 7a_100000744436_100011219619 [1,0,0,0,0,0|2,0,0]=3 1655 B13R1.528 OCC(O)COc1cccnc1Cl 34a_100000757616_100011219619 [1,0,0,0,0,0|2,0,0]=3 1656 B13R1.528 OCC(O)COc1cccnc1Cl 7a_100000757616_100011219619 [1,0,0,0,0,0|2,0,0]=3 1657 B13R1.528 OCC(O)COc1cccnc1F 34a_100000061740_100011219619 [1,0,0,0,0,0|2,0,0]=3 1658 B13R1.528 OCC(O)COc1cccnc1F 7a_100000061740_100011219619 [1,0,0,0,0,0|2,0,0]=3 1659 B13R1.528 OCC(O)COc1cccnc1I 34a_100000034122_100011219619 [1,0,0,0,0,0|2,0,0]=3 1660 B13R1.528 OCC(O)COc1cccnc1I 7a_100000034122_100011219619 [1,0,0,0,0,0|2,0,0]=3 1661 B13R1.528 OCC(O)COc1ccncc1Br 34a_100011996408_100011219619 [1,0,0,0,0,0|2,0,0]=3 1662 B13R1.528 OCC(O)COc1ccncc1Cl 34a_100011997054_100011219619 [1,0,0,0,0,0|2,0,0]=3 1663 B13R1.528 OCC(O)COc1ccncc1F 34a_200000081243_100011219619 [1,0,0,0,0,0|2,0,0]=3 1664 B13R1.528 OCC(O)COc1cnccc1Cl 34a_100011996695_100011219619 [1,0,0,0,0,0|2,0,0]=3 1665 B13R1.528 OCC(O)COc1cnccc1I 34a_100000050107_100011219619 [1,0,0,0,0,0|2,0,0]=3 1666 B13R1.528 OCC(O)COc1ncccc1Cl 34a_100011290957_100011219619 [1,0,0,0,0,0|2,0,0]=3 1667 B13R1.528 OCC(O)COc1ncccc1F 34a_100011219419_100011219619 [1,0,0,0,0,0|2,0,0]=3 1668 B13R1.528 OCC(O)CSc1c[nH]ccc1=S 62a_100011219619_200012280681 [1,0,0,0,0,0|1,2,0]=4 1669 B13R1.528 OCC(O)CSc1c[nH]ccc1=S 62a_200012280681_100011219619 [1,0,0,0,0,0|1,2,0]=4 1670 B13R1.528 OCC(O)CSc1ccccc1Br 62a_100000695589_100011219619 [1,0,0,0,0,0|1,1,0]=3 1671 B13R1.528 OCC(O)CSc1ccccc1Br 62a_100011219619_100000695589 [1,0,0,0,0,0|1,1,0]=3 1672 B13R1.528 OCC(O)CSc1ccccc1Cl 62a_100000764095_100011219619 [1,0,0,0,0,0|1,1,0]=3 1673 B13R1.528 OCC(O)CSc1ccccc1Cl 62a_100011219619_100000764095 [1,0,0,0,0,0|1,1,0]=3 1674 B13R1.528 OCC(O)CSc1ccccc1F 62a_100011215700_100011219619 [1,0,0,0,0,0|1,1,0]=3 1675 B13R1.528 OCC(O)CSc1ccccc1F 62a_100011219619_100011215700 [1,0,0,0,0,0|1,1,0]=3 1676 B13R1.528 OCC(O)CSc1ccccc1O 62a_100000739446_100011219619 [1,0,0,0,0,0|0,1,0]=2 1677 B13R1.528 OCC(O)CSc1ccccc1O 62a_100011219619_100000739446 [1,0,0,0,0,0|0,1,0]=2 1678 B13R1.528 OCC(O)CSc1cccnc1Br 62a_100010202626_100011219619 [1,0,0,0,0,0|2,1,0]=4 1679 B13R1.528 OCC(O)CSc1cccnc1Br 62a_100011219619_100010202626 [1,0,0,0,0,0|2,1,0]=4 1680 B13R1.528 OCC(O)CSc1cccnc1Cl 62a_100000036424_100011219619 [1,0,0,0,0,0|2,1,0]=4 1681 B13R1.528 OCC(O)CSc1cccnc1Cl 62a_100011219619_100000036424 [1,0,0,0,0,0|2,1,0]=4 1682 B13R1.528 OCC(O)CSc1cccnc1F 62a_100009816115_100011219619 [1,0,0,0,0,0|2,1,0]=4 1683 B13R1.528 OCC(O)CSc1cccnc1F 62a_100011219619_100009816115 [1,0,0,0,0,0|2,1,0]=4 1684 B13R1.528 OCC(O)CSc1cccnc1O 62a_100000760158_100011219619 [1,0,0,0,0,0|1,1,0]=3 1685 B13R1.528 OCC(O)CSc1cccnc1O 62a_100011219619_100000760158 [1,0,0,0,0,0|1,1,0]=3 1686 B13R1.528 OCC(O)CSc1ccncc1Br 62a_100000726257_100011219619 [1,0,0,0,0,0|2,1,0]=4 1687 B13R1.528 OCC(O)CSc1ccncc1Br 62a_100011219619_100000726257 [1,0,0,0,0,0|2,1,0]=4 1688 B13R1.528 OCC(O)CSc1ccncc1Cl 62a_100000708259_100011219619 [1,0,0,0,0,0|2,1,0]=4 1689 B13R1.528 OCC(O)CSc1ccncc1Cl 62a_100011219619_100000708259 [1,0,0,0,0,0|2,1,0]=4 1690 B13R1.528 OCC(O)CSc1ccncc1F 62a_100000047030_100011219619 [1,0,0,0,0,0|2,1,0]=4 1691 B13R1.528 OCC(O)CSc1ccncc1F 62a_100011219619_100000047030 [1,0,0,0,0,0|2,1,0]=4 1692 B13R1.528 OCC(O)CSc1ccncc1O 62a_100009817591_100011219619 [1,0,0,0,0,0|1,1,0]=3 1693 B13R1.528 OCC(O)CSc1ccncc1O 62a_100011219619_100009817591 [1,0,0,0,0,0|1,1,0]=3 1694 B13R1.528 OCC(O)CSc1cnccc1Br 62a_100010138639_100011219619 [1,0,0,0,0,0|2,1,0]=4 1695 B13R1.528 OCC(O)CSc1cnccc1Br 62a_100011219619_100010138639 [1,0,0,0,0,0|2,1,0]=4 1696 B13R1.528 OCC(O)CSc1cnccc1Cl 62a_100009995489_100011219619 [1,0,0,0,0,0|2,1,0]=4 1697 B13R1.528 OCC(O)CSc1cnccc1Cl 62a_100011219619_100009995489 [1,0,0,0,0,0|2,1,0]=4 1698 B13R1.528 OCC(O)CSc1cnccc1F 62a_100009820683_100011219619 [1,0,0,0,0,0|2,1,0]=4 1699 B13R1.528 OCC(O)CSc1cnccc1F 62a_100011219619_100009820683 [1,0,0,0,0,0|2,1,0]=4 1700 B13R1.528 OCC(O)CSc1cncnc1O 62a_100000751107_100011219619 [1,0,0,0,0,0|2,1,0]=4 1701 B13R1.528 OCC(O)CSc1cncnc1O 62a_100011219619_100000751107 [1,0,0,0,0,0|2,1,0]=4 1702 B13R1.528 OCC(O)CSc1ncccc1Br 62a_100000696092_100011219619 [1,0,0,0,0,0|2,1,0]=4 1703 B13R1.528 OCC(O)CSc1ncccc1Br 62a_100011219619_100000696092 [1,0,0,0,0,0|2,1,0]=4 1704 B13R1.528 OCC(O)CSc1ncccc1Cl 62a_100011219619_100011356963 [1,0,0,0,0,0|2,1,0]=4 1705 B13R1.528 OCC(O)CSc1ncccc1Cl 62a_100011356963_100011219619 [1,0,0,0,0,0|2,1,0]=4 1706 B13R1.528 OCC(O)CSc1ncccc1F 62a_100000685392_100011219619 [1,0,0,0,0,0|2,1,0]=4 1707 B13R1.528 OCC(O)CSc1ncccc1F 62a_100011219619_100000685392 [1,0,0,0,0,0|2,1,0]=4 1708 B13R1.528 OCC(O)CSc1ncccc1O 62a_100000034122_100011219619 [1,0,0,0,0,0|1,1,0]=3 1709 B13R1.528 OCC(O)CSc1ncccc1O 62a_100011219619_100000034122 [1,0,0,0,0,0|1,1,0]=3 1710 B13R1.528 OC[C@@H](O)CNc1ccncc1Br 27a_100020644852_100000726257 [1,0,0,0,0,0|3,0,0]=4 1711 B13R1.528 OC[C@@H](O)CNc1ccncc1F 27a_100020644852_100000035921 [1,0,0,0,0,0|3,0,0]=4 1712 B13R1.528 OC[C@@H](O)CNc1ncccc1Br 27a_100020644852_100000696092 [1,0,0,0,0,0|3,0,0]=4 1713 B13R1.528 OC[C@H](O)CNc1ccccc1Br 34a_100000210017_100009815848 [1,0,0,0,0,0|2,0,0]=3 1714 B13R1.528 OC[C@H](O)CNc1ccccc1Cl 34a_100000185783_100009815848 [1,0,0,0,0,0|2,0,0]=3 1715 B13R1.528 OC[C@H](O)CNc1ccccc1F 34a_100000210422_100009815848 [1,0,0,0,0,0|2,0,0]=3 1716 B13R1.528 OC[C@H](O)CNc1ccccc1I 34a_100000210053_100009815848 [1,0,0,0,0,0|2,0,0]=3 1717 B13R1.528 OC[C@H](O)CNc1ccccc1O 34a_100000185747_100009815848 [1,0,0,0,0,0|1,0,0]=2 1718 B13R1.528 OC[C@H](O)COc1ccccc1Br 34a_100000181306_100009815848 [1,0,0,0,0,0|1,0,0]=2 1719 B13R1.528 OC[C@H](O)COc1ccccc1Br 7a_100000181306_100009815848 [1,0,0,0,0,0|1,0,0]=2 1720 B13R1.528 OC[C@H](O)COc1ccccc1Cl 34a_100000210172_100009815848 [1,0,0,0,0,0|1,0,0]=2 1721 B13R1.528 OC[C@H](O)COc1ccccc1Cl 7a_100000210172_100009815848 [1,0,0,0,0,0|1,0,0]=2 1722 B13R1.528 OC[C@H](O)COc1ccccc1F 34a_100000210171_100009815848 [1,0,0,0,0,0|1,0,0]=2 1723 B13R1.528 OC[C@H](O)COc1ccccc1F 7a_100000210171_100009815848 [1,0,0,0,0,0|1,0,0]=2 1724 B13R1.528 OC[C@H](O)COc1ccccc1I 34a_100000739446_100009815848 [1,0,0,0,0,0|1,0,0]=2 1725 B13R1.528 OC[C@H](O)COc1ccccc1I 7a_100000739446_100009815848 [1,0,0,0,0,0|1,0,0]=2 1726 B13R1.528 OC[C@H](O)COc1cccnc1Br 34a_100000744436_100009815848 [1,0,0,0,0,0|2,0,0]=3 1727 B13R1.528 OC[C@H](O)COc1cccnc1Br 7a_100000744436_100009815848 [1,0,0,0,0,0|2,0,0]=3 1728 B13R1.528 OC[C@H](O)COc1cccnc1Cl 34a_100000757616_100009815848 [1,0,0,0,0,0|2,0,0]=3 1729 B13R1.528 OC[C@H](O)COc1cccnc1Cl 7a_100000757616_100009815848 [1,0,0,0,0,0|2,0,0]=3 1730 B13R1.528 OC[C@H](O)COc1cccnc1F 34a_100000061740_100009815848 [1,0,0,0,0,0|2,0,0]=3 1731 B13R1.528 OC[C@H](O)COc1cccnc1F 7a_100000061740_100009815848 [1,0,0,0,0,0|2,0,0]=3 1732 B13R1.528 OC[C@H](O)COc1cccnc1I 34a_100000034122_100009815848 [1,0,0,0,0,0|2,0,0]=3 1733 B13R1.528 OC[C@H](O)COc1cccnc1I 7a_100000034122_100009815848 [1,0,0,0,0,0|2,0,0]=3 1734 B13R1.528 OC[C@H](O)COc1ccncc1Br 34a_100011996408_100009815848 [1,0,0,0,0,0|2,0,0]=3 1735 B13R1.528 OC[C@H](O)COc1ccncc1Cl 34a_100011997054_100009815848 [1,0,0,0,0,0|2,0,0]=3 1736 B13R1.528 OC[C@H](O)COc1ccncc1F 34a_200000081243_100009815848 [1,0,0,0,0,0|2,0,0]=3 1737 B13R1.528 OC[C@H](O)COc1cnccc1Cl 34a_100011996695_100009815848 [1,0,0,0,0,0|2,0,0]=3 1738 B13R1.528 OC[C@H](O)COc1cnccc1I 34a_100000050107_100009815848 [1,0,0,0,0,0|2,0,0]=3 1739 B13R1.528 OC[C@H](O)COc1ncccc1Cl 34a_100011290957_100009815848 [1,0,0,0,0,0|2,0,0]=3 1740 B13R1.528 OC[C@H](O)COc1ncccc1F 34a_100011219419_100009815848 [1,0,0,0,0,0|2,0,0]=3 1741 B13R1.528 OC[C@H](O)CSc1c[nH]ccc1=S 62a_100009815848_200012280681 [1,0,0,0,0,0|1,2,0]=4 1742 B13R1.528 OC[C@H](O)CSc1c[nH]ccc1=S 62a_200012280681_100009815848 [1,0,0,0,0,0|1,2,0]=4 1743 B13R1.528 OC[C@H](O)CSc1ccccc1Br 62a_100000695589_100009815848 [1,0,0,0,0,0|1,1,0]=3 1744 B13R1.528 OC[C@H](O)CSc1ccccc1Br 62a_100009815848_100000695589 [1,0,0,0,0,0|1,1,0]=3 1745 B13R1.528 OC[C@H](O)CSc1ccccc1Cl 62a_100000764095_100009815848 [1,0,0,0,0,0|1,1,0]=3 1746 B13R1.528 OC[C@H](O)CSc1ccccc1Cl 62a_100009815848_100000764095 [1,0,0,0,0,0|1,1,0]=3 1747 B13R1.528 OC[C@H](O)CSc1ccccc1F 62a_100009815848_100011215700 [1,0,0,0,0,0|1,1,0]=3 1748 B13R1.528 OC[C@H](O)CSc1ccccc1F 62a_100011215700_100009815848 [1,0,0,0,0,0|1,1,0]=3 1749 B13R1.528 OC[C@H](O)CSc1ccccc1O 62a_100000739446_100009815848 [1,0,0,0,0,0|0,1,0]=2 1750 B13R1.528 OC[C@H](O)CSc1ccccc1O 62a_100009815848_100000739446 [1,0,0,0,0,0|0,1,0]=2 1751 B13R1.528 OC[C@H](O)CSc1cccnc1Br 62a_100009815848_100010202626 [1,0,0,0,0,0|2,1,0]=4 1752 B13R1.528 OC[C@H](O)CSc1cccnc1Br 62a_100010202626_100009815848 [1,0,0,0,0,0|2,1,0]=4 1753 B13R1.528 OC[C@H](O)CSc1cccnc1Cl 62a_100000036424_100009815848 [1,0,0,0,0,0|2,1,0]=4 1754 B13R1.528 OC[C@H](O)CSc1cccnc1Cl 62a_100009815848_100000036424 [1,0,0,0,0,0|2,1,0]=4 1755 B13R1.528 OC[C@H](O)CSc1cccnc1F 62a_100009815848_100009816115 [1,0,0,0,0,0|2,1,0]=4 1756 B13R1.528 OC[C@H](O)CSc1cccnc1F 62a_100009816115_100009815848 [1,0,0,0,0,0|2,1,0]=4 1757 B13R1.528 OC[C@H](O)CSc1cccnc1O 62a_100000760158_100009815848 [1,0,0,0,0,0|1,1,0]=3 1758 B13R1.528 OC[C@H](O)CSc1cccnc1O 62a_100009815848_100000760158 [1,0,0,0,0,0|1,1,0]=3 1759 B13R1.528 OC[C@H](O)CSc1ccncc1Br 62a_100000726257_100009815848 [1,0,0,0,0,0|2,1,0]=4 1760 B13R1.528 OC[C@H](O)CSc1ccncc1Br 62a_100009815848_100000726257 [1,0,0,0,0,0|2,1,0]=4 1761 B13R1.528 OC[C@H](O)CSc1ccncc1Cl 62a_100000708259_100009815848 [1,0,0,0,0,0|2,1,0]=4 1762 B13R1.528 OC[C@H](O)CSc1ccncc1Cl 62a_100009815848_100000708259 [1,0,0,0,0,0|2,1,0]=4 1763 B13R1.528 OC[C@H](O)CSc1ccncc1F 62a_100000047030_100009815848 [1,0,0,0,0,0|2,1,0]=4 1764 B13R1.528 OC[C@H](O)CSc1ccncc1F 62a_100009815848_100000047030 [1,0,0,0,0,0|2,1,0]=4 1765 B13R1.528 OC[C@H](O)CSc1ccncc1O 62a_100009815848_100009817591 [1,0,0,0,0,0|1,1,0]=3 1766 B13R1.528 OC[C@H](O)CSc1ccncc1O 62a_100009817591_100009815848 [1,0,0,0,0,0|1,1,0]=3 1767 B13R1.528 OC[C@H](O)CSc1cnccc1Br 62a_100009815848_100010138639 [1,0,0,0,0,0|2,1,0]=4 1768 B13R1.528 OC[C@H](O)CSc1cnccc1Br 62a_100010138639_100009815848 [1,0,0,0,0,0|2,1,0]=4 1769 B13R1.528 OC[C@H](O)CSc1cnccc1Cl 62a_100009815848_100009995489 [1,0,0,0,0,0|2,1,0]=4 1770 B13R1.528 OC[C@H](O)CSc1cnccc1Cl 62a_100009995489_100009815848 [1,0,0,0,0,0|2,1,0]=4 1771 B13R1.528 OC[C@H](O)CSc1cnccc1F 62a_100009815848_100009820683 [1,0,0,0,0,0|2,1,0]=4 1772 B13R1.528 OC[C@H](O)CSc1cnccc1F 62a_100009820683_100009815848 [1,0,0,0,0,0|2,1,0]=4 1773 B13R1.528 OC[C@H](O)CSc1cncnc1O 62a_100000751107_100009815848 [1,0,0,0,0,0|2,1,0]=4 1774 B13R1.528 OC[C@H](O)CSc1cncnc1O 62a_100009815848_100000751107 [1,0,0,0,0,0|2,1,0]=4 1775 B13R1.528 OC[C@H](O)CSc1ncccc1Br 62a_100000696092_100009815848 [1,0,0,0,0,0|2,1,0]=4 1776 B13R1.528 OC[C@H](O)CSc1ncccc1Br 62a_100009815848_100000696092 [1,0,0,0,0,0|2,1,0]=4 1777 B13R1.528 OC[C@H](O)CSc1ncccc1Cl 62a_100009815848_100011356963 [1,0,0,0,0,0|2,1,0]=4 1778 B13R1.528 OC[C@H](O)CSc1ncccc1Cl 62a_100011356963_100009815848 [1,0,0,0,0,0|2,1,0]=4 1779 B13R1.528 OC[C@H](O)CSc1ncccc1F 62a_100000685392_100009815848 [1,0,0,0,0,0|2,1,0]=4 1780 B13R1.528 OC[C@H](O)CSc1ncccc1F 62a_100009815848_100000685392 [1,0,0,0,0,0|2,1,0]=4 1781 B13R1.528 OC[C@H](O)CSc1ncccc1O 62a_100000034122_100009815848 [1,0,0,0,0,0|1,1,0]=3 1782 B13R1.528 OC[C@H](O)CSc1ncccc1O 62a_100009815848_100000034122 [1,0,0,0,0,0|1,1,0]=3 1783 B13R1.528 O[C@@H](CF)CNc1ccccc1Br 34a_100000210017_100015614560 [1,0,0,0,0,0|3,0,0]=4 1784 B13R1.528 O[C@@H](CF)CNc1ccccc1Cl 34a_100000185783_100015614560 [1,0,0,0,0,0|3,0,0]=4 1785 B13R1.528 O[C@@H](CF)CNc1ccccc1F 34a_100000210422_100015614560 [1,0,0,0,0,0|3,0,0]=4 1786 B13R1.528 O[C@@H](CF)CNc1ccccc1I 34a_100000210053_100015614560 [1,0,0,0,0,0|3,0,0]=4 1787 B13R1.528 O[C@@H](CF)COc1ccccc1Br 34a_100000181306_100015614560 [1,0,0,0,0,0|2,0,0]=3 1788 B13R1.528 O[C@@H](CF)COc1ccccc1Br 7a_100000181306_100015614560 [1,0,0,0,0,0|2,0,0]=3 1789 B13R1.528 O[C@@H](CF)COc1ccccc1Cl 34a_100000210172_100015614560 [1,0,0,0,0,0|2,0,0]=3 1790 B13R1.528 O[C@@H](CF)COc1ccccc1Cl 7a_100000210172_100015614560 [1,0,0,0,0,0|2,0,0]=3 1791 B13R1.528 O[C@@H](CF)COc1ccccc1F 34a_100000210171_100015614560 [1,0,0,0,0,0|2,0,0]=3 1792 B13R1.528 O[C@@H](CF)COc1ccccc1F 7a_100000210171_100015614560 [1,0,0,0,0,0|2,0,0]=3 1793 B13R1.528 O[C@@H](CF)COc1ccccc1I 34a_100000739446_100015614560 [1,0,0,0,0,0|2,0,0]=3 1794 B13R1.528 O[C@@H](CF)COc1ccccc1I 7a_100000739446_100015614560 [1,0,0,0,0,0|2,0,0]=3 1795 B13R1.528 O[C@@H](CF)COc1cccnc1Br 34a_100000744436_100015614560 [1,0,0,0,0,0|3,0,0]=4 1796 B13R1.528 O[C@@H](CF)COc1cccnc1Br 7a_100000744436_100015614560 [1,0,0,0,0,0|3,0,0]=4 1797 B13R1.528 O[C@@H](CF)COc1cccnc1Cl 34a_100000757616_100015614560 [1,0,0,0,0,0|3,0,0]=4 1798 B13R1.528 O[C@@H](CF)COc1cccnc1Cl 7a_100000757616_100015614560 [1,0,0,0,0,0|3,0,0]=4 1799 B13R1.528 O[C@@H](CF)COc1cccnc1F 34a_100000061740_100015614560 [1,0,0,0,0,0|3,0,0]=4 1800 B13R1.528 O[C@@H](CF)COc1cccnc1F 7a_100000061740_100015614560 [1,0,0,0,0,0|3,0,0]=4 1801 B13R1.528 O[C@@H](CF)COc1cccnc1I 34a_100000034122_100015614560 [1,0,0,0,0,0|3,0,0]=4 1802 B13R1.528 O[C@@H](CF)COc1cccnc1I 7a_100000034122_100015614560 [1,0,0,0,0,0|3,0,0]=4 1803 B13R1.528 O[C@@H](CF)COc1ccncc1Br 34a_100011996408_100015614560 [1,0,0,0,0,0|3,0,0]=4 1804 B13R1.528 O[C@@H](CF)COc1ccncc1Cl 34a_100011997054_100015614560 [1,0,0,0,0,0|3,0,0]=4 1805 B13R1.528 O[C@@H](CF)COc1ccncc1F 34a_200000081243_100015614560 [1,0,0,0,0,0|3,0,0]=4 1806 B13R1.528 O[C@@H](CF)COc1cnccc1Cl 34a_100011996695_100015614560 [1,0,0,0,0,0|3,0,0]=4 1807 B13R1.528 O[C@@H](CF)COc1cnccc1I 34a_100000050107_100015614560 [1,0,0,0,0,0|3,0,0]=4 1808 B13R1.528 O[C@@H](CF)COc1ncccc1Cl 34a_100011290957_100015614560 [1,0,0,0,0,0|3,0,0]=4 1809 B13R1.528 O[C@@H](CF)COc1ncccc1F 34a_100011219419_100015614560 [1,0,0,0,0,0|3,0,0]=4 1810 B13R1.528 O[C@@H](CF)CSc1ccccc1Br 62a_100000695589_100015614560 [1,0,0,0,0,0|2,1,0]=4 1811 B13R1.528 O[C@@H](CF)CSc1ccccc1Br 62a_100015614560_100000695589 [1,0,0,0,0,0|2,1,0]=4 1812 B13R1.528 O[C@@H](CF)CSc1ccccc1Cl 62a_100000764095_100015614560 [1,0,0,0,0,0|2,1,0]=4 1813 B13R1.528 O[C@@H](CF)CSc1ccccc1Cl 62a_100015614560_100000764095 [1,0,0,0,0,0|2,1,0]=4 1814 B13R1.528 O[C@@H](CF)CSc1ccccc1F 62a_100011215700_100015614560 [1,0,0,0,0,0|2,1,0]=4 1815 B13R1.528 O[C@@H](CF)CSc1ccccc1F 62a_100015614560_100011215700 [1,0,0,0,0,0|2,1,0]=4 1816 B13R1.528 Oc1ccccc1NC[C@@H](O)CF 34a_100000185747_100015614560 [1,0,0,0,0,0|2,0,0]=3 1817 B13R1.528 Oc1ccccc1SC[C@@H](O)CF 62a_100000739446_100015614560 [1,0,0,0,0,0|1,1,0]=3 1818 B13R1.528 Oc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000739446 [1,0,0,0,0,0|1,1,0]=3 1819 B13R1.528 Oc1cccnc1SC[C@@H](O)CF 62a_100000034122_100015614560 [1,0,0,0,0,0|2,1,0]=4 1820 B13R1.528 Oc1cccnc1SC[C@@H](O)CF 62a_100015614560_100000034122 [1,0,0,0,0,0|2,1,0]=4 1821 B13R1.528 Oc1cnccc1SC[C@@H](O)CF 62a_100009817591_100015614560 [1,0,0,0,0,0|2,1,0]=4 1822 B13R1.528 Oc1cnccc1SC[C@@H](O)CF 62a_100015614560_100009817591 [1,0,0,0,0,0|2,1,0]=4 1823 B13R1.528 Oc1ncccc1SC[C@@H](O)CF 62a_100000760158_100015614560 [1,0,0,0,0,0|2,1,0]=4 1824 B13R1.528 Oc1ncccc1SC[C@@H](O)CF 62a_100015614560_100000760158 [1,0,0,0,0,0|2,1,0]=4 1825 B13R1.528 [O-][n+]1ccccc1OCC(O)CO 7a_100000211761_100011219619 [1,0,0,0,0,0|1,0,1]=3 1826 B13R1.528 [O-][n+]1ccccc1OC[C@@H](O)CF 7a_100000211761_100015614560 [1,0,0,0,0,0|2,0,1]=4 1827 B13R1.528 [O-][n+]1ccccc1OC[C@@H](O)CO 7a_100000211761_100009815848 [1,0,0,0,0,0|1,0,1]=3 1828 B13R1.528 [O-][n+]1ccccc1SCC(O)CO 62a_100011219619_200000042595 [1,0,0,0,0,0|1,1,1]=4 1829 B13R1.528 [O-][n+]1ccccc1SC[C@@H](O)CO 62a_100009815848_200000042595 [1,0,0,0,0,0|1,1,1]=4 1830 B15R1.87 COc1ccccc1CCC(=O)C(O)O 1458a_100000233687_100011713687 [0,1,0,0,0,0|1,0,2]=4 1831 B15R1.87 COc1ccccc1CCC(=O)[C@@H](C)O 1458a_100000717761_100011713687 [0,1,0,0,0,0|1,0,2]=4 1832 B15R1.87 COc1ccccc1CCC(=O)[C@H](C)O 1458a_217856618621_100011713687 [0,1,0,0,0,0|1,0,2]=4 1833 B15R1.87 COc1ccccc1OCC(=O)C(C)C 1458a_100000182946_100000210206 [0,1,0,0,0,0|1,0,2]=4 1834 B15R1.87 COc1ccccc1OCC(=O)C(C)C 34a_100000210385_100000753385 [0,1,0,0,0,0|1,0,2]=4 1835 B15R1.273 C/C=C/c1ccccc1OCC(C)CC 34a_200000189419_100000748023 [0,1,0,0,0,0|3,0,0]=4 1836 B15R1.273 C/C=C/c1ccccc1OCC(C)CC 7a_200000189419_100000748023 [0,1,0,0,0,0|3,0,0]=4 1837 B15R1.273 C/C=C/c1ccccc1OCC(O)CC 34a_200000189419_100011218378 [0,1,0,0,0,0|2,0,0]=3 1838 B15R1.273 C/C=C/c1ccccc1OCC(O)CC 7a_200000189419_100011218378 [0,1,0,0,0,0|2,0,0]=3 1839 B15R1.273 C/C=C/c1ccccc1OCC(O)CO 34a_200000189419_100011219619 [0,1,0,0,0,0|1,0,0]=2 1840 B15R1.273 C/C=C/c1ccccc1OCC(O)CO 7a_200000189419_100011219619 [0,1,0,0,0,0|1,0,0]=2 1841 B15R1.273 C/C=C/c1ccccc1OC[C@@H](C)CC 34a_200000189419_100009816398 [0,1,0,0,0,0|3,0,0]=4 1842 B15R1.273 C/C=C/c1ccccc1OC[C@@H](C)CC 7a_200000189419_100009816398 [0,1,0,0,0,0|3,0,0]=4 1843 B15R1.273 C/C=C/c1ccccc1OC[C@@H](C)CO 34a_200000189419_100000059175 [0,1,0,0,0,0|2,0,0]=3 1844 B15R1.273 C/C=C/c1ccccc1OC[C@@H](C)CO 7a_200000189419_100000059175 [0,1,0,0,0,0|2,0,0]=3 1845 B15R1.273 C/C=C/c1ccccc1OC[C@@H](O)CF 34a_200000189419_100015614560 [0,1,0,0,0,0|2,0,0]=3 1846 B15R1.273 C/C=C/c1ccccc1OC[C@@H](O)CF 7a_200000189419_100015614560 [0,1,0,0,0,0|2,0,0]=3 1847 B15R1.273 C/C=C/c1ccccc1OC[C@@H](O)CO 34a_200000189419_100009815848 [0,1,0,0,0,0|1,0,0]=2 1848 B15R1.273 C/C=C/c1ccccc1OC[C@@H](O)CO 7a_200000189419_100009815848 [0,1,0,0,0,0|1,0,0]=2 1849 B15R1.273 C=CC(O)CNc1ccccc1OCC 34a_100000211218_100000730141 [0,1,0,0,0,0|2,0,1]=4 1850 B15R1.273 C=CC(O)COc1ccccc1/C=C/C 34a_200000189419_100000730141 [0,1,0,0,0,0|2,0,1]=4 1851 B15R1.273 C=CC(O)COc1ccccc1/C=C/C 7a_200000189419_100000730141 [0,1,0,0,0,0|2,0,1]=4 1852 B15R1.273 C=CC(O)COc1ccccc1CCBr 34a_100000722297_100000730141 [0,1,0,0,0,0|2,0,1]=4 1853 B15R1.273 C=CC(O)COc1ccccc1CCBr 7a_100000722297_100000730141 [0,1,0,0,0,0|2,0,1]=4 1854 B15R1.273 C=CC(O)COc1ccccc1CCC 34a_100011217252_100000730141 [0,1,0,0,0,0|2,0,1]=4 1855 B15R1.273 C=CC(O)COc1ccccc1CCC 7a_100011217252_100000730141 [0,1,0,0,0,0|2,0,1]=4 1856 B15R1.273 C=CC(O)COc1ccccc1CCN 34a_100011207237_100000730141 [0,1,0,0,0,0|2,0,1]=4 1857 B15R1.273 C=CC(O)COc1ccccc1CCO 34a_100000719421_100000730141 [0,1,0,0,0,0|2,0,1]=4 1858 B15R1.273 C=CC(O)COc1ccccc1CCO 7a_100000719421_100000730141 [0,1,0,0,0,0|2,0,1]=4 1859 B15R1.273 C=CC(O)COc1ccccc1CNC 34a_100015189988_100000730141 [0,1,0,0,0,0|2,0,1]=4 1860 B15R1.273 C=CC(O)COc1ccccc1COC 34a_100011488565_100000730141 [0,1,0,0,0,0|1,0,1]=3 1861 B15R1.273 C=CC(O)COc1ccccc1COC 7a_100011488565_100000730141 [0,1,0,0,0,0|1,0,1]=3 1862 B15R1.273 C=CC(O)COc1ccccc1NCC 34a_103624766699_100000730141 [0,1,0,0,0,0|2,0,1]=4 1863 B15R1.273 C=CC(O)COc1ccccc1NCC 7a_103624766699_100000730141 [0,1,0,0,0,0|2,0,1]=4 1864 B15R1.273 C=CC(O)COc1ccccc1OCC 34a_100000211404_100000730141 [0,1,0,0,0,0|1,0,1]=3 1865 B15R1.273 C=CC(O)COc1ccccc1OCC 7a_100000211404_100000730141 [0,1,0,0,0,0|1,0,1]=3 1866 B15R1.273 C=CC(O)COc1cccnc1OCC 34a_100011998697_100000730141 [0,1,0,0,0,0|2,0,1]=4 1867 B15R1.273 C=CC(O)CSc1ccccc1COC 62a_100000730141_100011493684 [0,1,0,0,0,0|1,1,1]=4 1868 B15R1.273 C=CC(O)CSc1ccccc1COC 62a_100011493684_100000730141 [0,1,0,0,0,0|1,1,1]=4 1869 B15R1.273 C=CC(O)CSc1ccccc1OCC 62a_100000230754_100000730141 [0,1,0,0,0,0|1,1,1]=4 1870 B15R1.273 C=CC(O)CSc1ccccc1OCC 62a_100000730141_100000230754 [0,1,0,0,0,0|1,1,1]=4 1871 B15R1.273 C=CCc1ccccc1NCC(O)CO 2230a_200138433279_100011219619 [0,1,0,0,0,0|2,0,1]=4 1872 B15R1.273 C=CCc1ccccc1NCC(O)CO 34a_200138433279_100011219619 [0,1,0,0,0,0|2,0,1]=4 1873 B15R1.273 C=CCc1ccccc1NC[C@@H](O)CO 2230a_200138433279_100009815848 [0,1,0,0,0,0|2,0,1]=4 1874 B15R1.273 C=CCc1ccccc1NC[C@@H](O)CO 34a_200138433279_100009815848 [0,1,0,0,0,0|2,0,1]=4 1875 B15R1.273 C=CCc1ccccc1OCC(O)CC 34a_100000211836_100011218378 [0,1,0,0,0,0|2,0,1]=4 1876 B15R1.273 C=CCc1ccccc1OCC(O)CC 7a_100000211836_100011218378 [0,1,0,0,0,0|2,0,1]=4 1877 B15R1.273 C=CCc1ccccc1OCC(O)CO 34a_100000211836_100011219619 [0,1,0,0,0,0|1,0,1]=3 1878 B15R1.273 C=CCc1ccccc1OCC(O)CO 7a_100000211836_100011219619 [0,1,0,0,0,0|1,0,1]=3 1879 B15R1.273 C=CCc1ccccc1OC[C@@H](C)CO 34a_100000211836_100000059175 [0,1,0,0,0,0|2,0,1]=4 1880 B15R1.273 C=CCc1ccccc1OC[C@@H](C)CO 7a_100000211836_100000059175 [0,1,0,0,0,0|2,0,1]=4 1881 B15R1.273 C=CCc1ccccc1OC[C@@H](O)CF 34a_100000211836_100015614560 [0,1,0,0,0,0|2,0,1]=4 1882 B15R1.273 C=CCc1ccccc1OC[C@@H](O)CF 7a_100000211836_100015614560 [0,1,0,0,0,0|2,0,1]=4 1883 B15R1.273 C=CCc1ccccc1OC[C@@H](O)CO 34a_100000211836_100009815848 [0,1,0,0,0,0|1,0,1]=3 1884 B15R1.273 C=CCc1ccccc1OC[C@@H](O)CO 7a_100000211836_100009815848 [0,1,0,0,0,0|1,0,1]=3 1885 B15R1.273 C=CCc1ccccc1SCC(O)CO 62a_100009828059_100011219619 [0,1,0,0,0,0|1,1,1]=4 1886 B15R1.273 C=CCc1ccccc1SCC(O)CO 62a_100011219619_100009828059 [0,1,0,0,0,0|1,1,1]=4 1887 B15R1.273 C=CCc1ccccc1SC[C@@H](O)CO 62a_100009815848_100009828059 [0,1,0,0,0,0|1,1,1]=4 1888 B15R1.273 C=CCc1ccccc1SC[C@@H](O)CO 62a_100009828059_100009815848 [0,1,0,0,0,0|1,1,1]=4 1889 B15R1.273 CCC(=O)COc1ccccc1COC 7a_100011488565_100000747405 [0,1,0,0,0,0|1,0,2]=4 1890 B15R1.273 CCC(C)COc1ccccc1CCBr 34a_100000722297_100000748023 [0,1,0,0,0,0|3,0,0]=4 1891 B15R1.273 CCC(C)COc1ccccc1CCBr 7a_100000722297_100000748023 [0,1,0,0,0,0|3,0,0]=4 1892 B15R1.273 CCC(C)COc1ccccc1CCN 34a_100011207237_100000748023 [0,1,0,0,0,0|3,0,0]=4 1893 B15R1.273 CCC(C)COc1ccccc1CCO 34a_100000719421_100000748023 [0,1,0,0,0,0|3,0,0]=4 1894 B15R1.273 CCC(C)COc1ccccc1CCO 7a_100000719421_100000748023 [0,1,0,0,0,0|3,0,0]=4 1895 B15R1.273 CCC(C)COc1ccccc1CNC 34a_100015189988_100000748023 [0,1,0,0,0,0|3,0,0]=4 1896 B15R1.273 CCC(C)COc1ccccc1COC 34a_100011488565_100000748023 [0,1,0,0,0,0|2,0,0]=3 1897 B15R1.273 CCC(C)COc1ccccc1COC 7a_100011488565_100000748023 [0,1,0,0,0,0|2,0,0]=3 1898 B15R1.273 CCC(C)CSc1ccccc1COC 62a_100000748023_100011493684 [0,1,0,0,0,0|2,1,0]=4 1899 B15R1.273 CCC(C)CSc1ccccc1COC 62a_100011493684_100000748023 [0,1,0,0,0,0|2,1,0]=4 1900 B15R1.273 CCC(O)CNc1ccccc1CCO 2230a_100011215289_100011218378 [0,1,0,0,0,0|3,0,0]=4 1901 B15R1.273 CCC(O)CNc1ccccc1CCO 34a_100011215289_100011218378 [0,1,0,0,0,0|3,0,0]=4 1902 B15R1.273 CCC(O)COc1ccccc1CC#N 34a_100000043107_100011218378 [0,1,0,0,0,0|2,0,1]=4 1903 B15R1.273 CCC(O)COc1ccccc1CC#N 7a_100000043107_100011218378 [0,1,0,0,0,0|2,0,1]=4 1904 B15R1.273 CCC(O)COc1ccccc1CCBr 34a_100000722297_100011218378 [0,1,0,0,0,0|2,0,0]=3 1905 B15R1.273 CCC(O)COc1ccccc1CCBr 7a_100000722297_100011218378 [0,1,0,0,0,0|2,0,0]=3 1906 B15R1.273 CCC(O)COc1ccccc1CCN 34a_100011207237_100011218378 [0,1,0,0,0,0|2,0,0]=3 1907 B15R1.273 CCC(O)COc1ccccc1CCO 34a_100000719421_100011218378 [0,1,0,0,0,0|2,0,0]=3 1908 B15R1.273 CCC(O)COc1ccccc1CCO 7a_100000719421_100011218378 [0,1,0,0,0,0|2,0,0]=3 1909 B15R1.273 CCC(O)COc1ccccc1CNC 34a_100015189988_100011218378 [0,1,0,0,0,0|2,0,0]=3 1910 B15R1.273 CCC(O)COc1ccccc1COC 34a_100011488565_100011218378 [0,1,0,0,0,0|1,0,0]=2 1911 B15R1.273 CCC(O)COc1ccccc1COC 7a_100011488565_100011218378 [0,1,0,0,0,0|1,0,0]=2 1912 B15R1.273 CCC(O)CSc1ccccc1CCN 62a_100000747383_100011218378 [0,1,0,0,0,0|2,1,0]=4 1913 B15R1.273 CCC(O)CSc1ccccc1CCN 62a_100011218378_100000747383 [0,1,0,0,0,0|2,1,0]=4 1914 B15R1.273 CCC(O)CSc1ccccc1CCO 62a_100000731337_100011218378 [0,1,0,0,0,0|2,1,0]=4 1915 B15R1.273 CCC(O)CSc1ccccc1CCO 62a_100011218378_100000731337 [0,1,0,0,0,0|2,1,0]=4 1916 B15R1.273 CCC(O)CSc1ccccc1CNC 62a_100000184654_100011218378 [0,1,0,0,0,0|2,1,0]=4 1917 B15R1.273 CCC(O)CSc1ccccc1CNC 62a_100011218378_100000184654 [0,1,0,0,0,0|2,1,0]=4 1918 B15R1.273 CCC(O)CSc1ccccc1COC 62a_100011218378_100011493684 [0,1,0,0,0,0|1,1,0]=3 1919 B15R1.273 CCC(O)CSc1ccccc1COC 62a_100011493684_100011218378 [0,1,0,0,0,0|1,1,0]=3 1920 B15R1.273 CCC(O)CSc1ccccc1CSC 62a_100000148299_100011218378 [0,1,0,0,0,0|1,2,0]=4 1921 B15R1.273 CCC(O)CSc1ccccc1CSC 62a_100011218378_100000148299 [0,1,0,0,0,0|1,2,0]=4 1922 B15R1.273 CCCc1ccccc1NCC(O)CC 2230a_100000737634_100011218378 [0,1,0,0,0,0|3,0,0]=4 1923 B15R1.273 CCCc1ccccc1NCC(O)CC 34a_100000737634_100011218378 [0,1,0,0,0,0|3,0,0]=4 1924 B15R1.273 CCCc1ccccc1NCC(O)CC 7a_100000737634_100011218378 [0,1,0,0,0,0|3,0,0]=4 1925 B15R1.273 CCCc1ccccc1NCC(O)CO 2230a_100000737634_100011219619 [0,1,0,0,0,0|2,0,0]=3 1926 B15R1.273 CCCc1ccccc1NCC(O)CO 34a_100000737634_100011219619 [0,1,0,0,0,0|2,0,0]=3 1927 B15R1.273 CCCc1ccccc1NCC(O)CO 7a_100000737634_100011219619 [0,1,0,0,0,0|2,0,0]=3 1928 B15R1.273 CCCc1ccccc1NC[C@@H](C)CO 2230a_100000737634_100000059175 [0,1,0,0,0,0|3,0,0]=4 1929 B15R1.273 CCCc1ccccc1NC[C@@H](C)CO 34a_100000737634_100000059175 [0,1,0,0,0,0|3,0,0]=4 1930 B15R1.273 CCCc1ccccc1NC[C@@H](C)CO 7a_100000737634_100000059175 [0,1,0,0,0,0|3,0,0]=4 1931 B15R1.273 CCCc1ccccc1NC[C@@H](O)CF 2230a_100000737634_100015614560 [0,1,0,0,0,0|3,0,0]=4 1932 B15R1.273 CCCc1ccccc1NC[C@@H](O)CF 34a_100000737634_100015614560 [0,1,0,0,0,0|3,0,0]=4 1933 B15R1.273 CCCc1ccccc1NC[C@@H](O)CF 7a_100000737634_100015614560 [0,1,0,0,0,0|3,0,0]=4 1934 B15R1.273 CCCc1ccccc1NC[C@@H](O)CO 2230a_100000737634_100009815848 [0,1,0,0,0,0|2,0,0]=3 1935 B15R1.273 CCCc1ccccc1NC[C@@H](O)CO 34a_100000737634_100009815848 [0,1,0,0,0,0|2,0,0]=3 1936 B15R1.273 CCCc1ccccc1NC[C@@H](O)CO 7a_100000737634_100009815848 [0,1,0,0,0,0|2,0,0]=3 1937 B15R1.273 CCCc1ccccc1OCC(C)CC 34a_100011217252_100000748023 [0,1,0,0,0,0|3,0,0]=4 1938 B15R1.273 CCCc1ccccc1OCC(C)CC 7a_100011217252_100000748023 [0,1,0,0,0,0|3,0,0]=4 1939 B15R1.273 CCCc1ccccc1OCC(O)CC 34a_100011217252_100011218378 [0,1,0,0,0,0|2,0,0]=3 1940 B15R1.273 CCCc1ccccc1OCC(O)CC 7a_100011217252_100011218378 [0,1,0,0,0,0|2,0,0]=3 1941 B15R1.273 CCCc1ccccc1OCC(O)CO 34a_100011217252_100011219619 [0,1,0,0,0,0|1,0,0]=2 1942 B15R1.273 CCCc1ccccc1OCC(O)CO 7a_100011217252_100011219619 [0,1,0,0,0,0|1,0,0]=2 1943 B15R1.273 CCCc1ccccc1OC[C@@H](C)CC 34a_100011217252_100009816398 [0,1,0,0,0,0|3,0,0]=4 1944 B15R1.273 CCCc1ccccc1OC[C@@H](C)CC 7a_100011217252_100009816398 [0,1,0,0,0,0|3,0,0]=4 1945 B15R1.273 CCCc1ccccc1OC[C@@H](C)CO 34a_100011217252_100000059175 [0,1,0,0,0,0|2,0,0]=3 1946 B15R1.273 CCCc1ccccc1OC[C@@H](C)CO 7a_100011217252_100000059175 [0,1,0,0,0,0|2,0,0]=3 1947 B15R1.273 CCCc1ccccc1OC[C@@H](O)CF 34a_100011217252_100015614560 [0,1,0,0,0,0|2,0,0]=3 1948 B15R1.273 CCCc1ccccc1OC[C@@H](O)CF 7a_100011217252_100015614560 [0,1,0,0,0,0|2,0,0]=3 1949 B15R1.273 CCCc1ccccc1OC[C@@H](O)CO 34a_100011217252_100009815848 [0,1,0,0,0,0|1,0,0]=2 1950 B15R1.273 CCCc1ccccc1OC[C@@H](O)CO 7a_100011217252_100009815848 [0,1,0,0,0,0|1,0,0]=2 1951 B15R1.273 CCNc1ccccc1OCC(C)CC 34a_103624766699_100000748023 [0,1,0,0,0,0|3,0,0]=4 1952 B15R1.273 CCNc1ccccc1OCC(C)CC 7a_103624766699_100000748023 [0,1,0,0,0,0|3,0,0]=4 1953 B15R1.273 CCNc1ccccc1OCC(O)CC 34a_103624766699_100011218378 [0,1,0,0,0,0|2,0,0]=3 1954 B15R1.273 CCNc1ccccc1OCC(O)CC 7a_103624766699_100011218378 [0,1,0,0,0,0|2,0,0]=3 1955 B15R1.273 CCNc1ccccc1OCC(O)CO 34a_103624766699_100011219619 [0,1,0,0,0,0|1,0,0]=2 1956 B15R1.273 CCNc1ccccc1OCC(O)CO 7a_103624766699_100011219619 [0,1,0,0,0,0|1,0,0]=2 1957 B15R1.273 CCNc1ccccc1OC[C@@H](C)CC 34a_103624766699_100009816398 [0,1,0,0,0,0|3,0,0]=4 1958 B15R1.273 CCNc1ccccc1OC[C@@H](C)CC 7a_103624766699_100009816398 [0,1,0,0,0,0|3,0,0]=4 1959 B15R1.273 CCNc1ccccc1OC[C@@H](C)CO 34a_103624766699_100000059175 [0,1,0,0,0,0|2,0,0]=3 1960 B15R1.273 CCNc1ccccc1OC[C@@H](C)CO 7a_103624766699_100000059175 [0,1,0,0,0,0|2,0,0]=3 1961 B15R1.273 CCNc1ccccc1OC[C@@H](O)CF 34a_103624766699_100015614560 [0,1,0,0,0,0|2,0,0]=3 1962 B15R1.273 CCNc1ccccc1OC[C@@H](O)CF 7a_103624766699_100015614560 [0,1,0,0,0,0|2,0,0]=3 1963 B15R1.273 CCNc1ccccc1OC[C@@H](O)CO 34a_103624766699_100009815848 [0,1,0,0,0,0|1,0,0]=2 1964 B15R1.273 CCNc1ccccc1OC[C@@H](O)CO 7a_103624766699_100009815848 [0,1,0,0,0,0|1,0,0]=2 1965 B15R1.273 CCNc1ccccc1SCC(O)CC 62a_100011218378_114873767003 [0,1,0,0,0,0|2,1,0]=4 1966 B15R1.273 CCNc1ccccc1SCC(O)CC 62a_114873767003_100011218378 [0,1,0,0,0,0|2,1,0]=4 1967 B15R1.273 CCNc1ccccc1SCC(O)CO 62a_100011219619_114873767003 [0,1,0,0,0,0|1,1,0]=3 1968 B15R1.273 CCNc1ccccc1SCC(O)CO 62a_114873767003_100011219619 [0,1,0,0,0,0|1,1,0]=3 1969 B15R1.273 CCNc1ccccc1SC[C@@H](C)CO 62a_100000059175_114873767003 [0,1,0,0,0,0|2,1,0]=4 1970 B15R1.273 CCNc1ccccc1SC[C@@H](C)CO 62a_114873767003_100000059175 [0,1,0,0,0,0|2,1,0]=4 1971 B15R1.273 CCNc1ccccc1SC[C@@H](O)CF 62a_100015614560_114873767003 [0,1,0,0,0,0|2,1,0]=4 1972 B15R1.273 CCNc1ccccc1SC[C@@H](O)CF 62a_114873767003_100015614560 [0,1,0,0,0,0|2,1,0]=4 1973 B15R1.273 CCNc1ccccc1SC[C@@H](O)CO 62a_100009815848_114873767003 [0,1,0,0,0,0|1,1,0]=3 1974 B15R1.273 CCNc1ccccc1SC[C@@H](O)CO 62a_114873767003_100009815848 [0,1,0,0,0,0|1,1,0]=3 1975 B15R1.273 CCOc1ccccc1CN[C@H](C)CO 207a_100000737577_100000169843 [0,1,0,0,0,0|3,0,0]=4 1976 B15R1.273 CCOc1ccccc1CN[C@H](C)CO 270004a_100000737577_100000169843 [0,1,0,0,0,0|3,0,0]=4 1977 B15R1.273 CCOc1ccccc1COC(C)CO 34a_100000708577_100012180447 [0,1,0,0,0,0|3,0,0]=4 1978 B15R1.273 CCOc1ccccc1COC(C)CO 7a_100000708577_100012180447 [0,1,0,0,0,0|3,0,0]=4 1979 B15R1.273 CCOc1ccccc1NCC(C)CC 34a_100000211218_100000748023 [0,1,0,0,0,0|3,0,0]=4 1980 B15R1.273 CCOc1ccccc1NCC(O)CC 34a_100000211218_100011218378 [0,1,0,0,0,0|2,0,0]=3 1981 B15R1.273 CCOc1ccccc1NCC(O)CO 34a_100000211218_100011219619 [0,1,0,0,0,0|1,0,0]=2 1982 B15R1.273 CCOc1ccccc1NC[C@@H](C)CC 34a_100000211218_100009816398 [0,1,0,0,0,0|3,0,0]=4 1983 B15R1.273 CCOc1ccccc1NC[C@@H](C)CO 34a_100000211218_100000059175 [0,1,0,0,0,0|2,0,0]=3 1984 B15R1.273 CCOc1ccccc1NC[C@@H](O)CF 34a_100000211218_100015614560 [0,1,0,0,0,0|2,0,0]=3 1985 B15R1.273 CCOc1ccccc1NC[C@@H](O)CO 34a_100000211218_100009815848 [0,1,0,0,0,0|1,0,0]=2 1986 B15R1.273 CCOc1ccccc1OCC(=O)CC 1458a_100000182497_100000210202 [0,1,0,0,0,0|1,0,2]=4 1987 B15R1.273 CCOc1ccccc1OCC(=O)CC 7a_100000211404_100000747405 [0,1,0,0,0,0|1,0,2]=4 1988 B15R1.273 CCOc1ccccc1OCC(=O)CF 1458a_100000182497_100015361967 [0,1,0,0,0,0|1,0,2]=4 1989 B15R1.273 CCOc1ccccc1OCC(C)CC 34a_100000211404_100000748023 [0,1,0,0,0,0|2,0,0]=3 1990 B15R1.273 CCOc1ccccc1OCC(C)CC 7a_100000211404_100000748023 [0,1,0,0,0,0|2,0,0]=3 1991 B15R1.273 CCOc1ccccc1OCC(O)CC 34a_100000211404_100011218378 [0,1,0,0,0,0|1,0,0]=2 1992 B15R1.273 CCOc1ccccc1OCC(O)CC 7a_100000211404_100011218378 [0,1,0,0,0,0|1,0,0]=2 1993 B15R1.273 CCOc1ccccc1OCC(O)CO 34a_100000211404_100011219619 [0,1,0,0,0,0|0,0,0]=1 1994 B15R1.273 CCOc1ccccc1OCC(O)CO 7a_100000211404_100011219619 [0,1,0,0,0,0|0,0,0]=1 1995 B15R1.273 CCOc1ccccc1OC[C@@H](C)CC 34a_100000211404_100009816398 [0,1,0,0,0,0|2,0,0]=3 1996 B15R1.273 CCOc1ccccc1OC[C@@H](C)CC 7a_100000211404_100009816398 [0,1,0,0,0,0|2,0,0]=3 1997 B15R1.273 CCOc1ccccc1OC[C@@H](C)CO 34a_100000211404_100000059175 [0,1,0,0,0,0|1,0,0]=2 1998 B15R1.273 CCOc1ccccc1OC[C@@H](C)CO 7a_100000211404_100000059175 [0,1,0,0,0,0|1,0,0]=2 1999 B15R1.273 CCOc1ccccc1OC[C@@H](O)CF 34a_100000211404_100015614560 [0,1,0,0,0,0|1,0,0]=2 2000 B15R1.273 CCOc1ccccc1OC[C@@H](O)CF 7a_100000211404_100015614560 [0,1,0,0,0,0|1,0,0]=2 2001 B15R1.273 CCOc1ccccc1OC[C@@H](O)CO 34a_100000211404_100009815848 [0,1,0,0,0,0|0,0,0]=1 2002 B15R1.273 CCOc1ccccc1OC[C@@H](O)CO 7a_100000211404_100009815848 [0,1,0,0,0,0|0,0,0]=1 2003 B15R1.273 CCOc1ccccc1SCC(C)CC 62a_100000230754_100000748023 [0,1,0,0,0,0|2,1,0]=4 2004 B15R1.273 CCOc1ccccc1SCC(C)CC 62a_100000748023_100000230754 [0,1,0,0,0,0|2,1,0]=4 2005 B15R1.273 CCOc1ccccc1SCC(O)CC 62a_100000230754_100011218378 [0,1,0,0,0,0|1,1,0]=3 2006 B15R1.273 CCOc1ccccc1SCC(O)CC 62a_100011218378_100000230754 [0,1,0,0,0,0|1,1,0]=3 2007 B15R1.273 CCOc1ccccc1SCC(O)CO 62a_100000230754_100011219619 [0,1,0,0,0,0|0,1,0]=2 2008 B15R1.273 CCOc1ccccc1SCC(O)CO 62a_100011219619_100000230754 [0,1,0,0,0,0|0,1,0]=2 2009 B15R1.273 CCOc1ccccc1SC[C@@H](C)CC 62a_100000230754_100009816398 [0,1,0,0,0,0|2,1,0]=4 2010 B15R1.273 CCOc1ccccc1SC[C@@H](C)CC 62a_100009816398_100000230754 [0,1,0,0,0,0|2,1,0]=4 2011 B15R1.273 CCOc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000230754 [0,1,0,0,0,0|1,1,0]=3 2012 B15R1.273 CCOc1ccccc1SC[C@@H](C)CO 62a_100000230754_100000059175 [0,1,0,0,0,0|1,1,0]=3 2013 B15R1.273 CCOc1ccccc1SC[C@@H](O)CF 62a_100000230754_100015614560 [0,1,0,0,0,0|1,1,0]=3 2014 B15R1.273 CCOc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000230754 [0,1,0,0,0,0|1,1,0]=3 2015 B15R1.273 CCOc1ccccc1SC[C@@H](O)CO 62a_100000230754_100009815848 [0,1,0,0,0,0|0,1,0]=2 2016 B15R1.273 CCOc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000230754 [0,1,0,0,0,0|0,1,0]=2 2017 B15R1.273 CCOc1cccnc1SCC(O)CC 62a_100011218378_100011597540 [0,1,0,0,0,0|2,1,0]=4 2018 B15R1.273 CCOc1cccnc1SCC(O)CC 62a_100011597540_100011218378 [0,1,0,0,0,0|2,1,0]=4 2019 B15R1.273 CCOc1cccnc1SCC(O)CO 62a_100011219619_100011597540 [0,1,0,0,0,0|1,1,0]=3 2020 B15R1.273 CCOc1cccnc1SCC(O)CO 62a_100011597540_100011219619 [0,1,0,0,0,0|1,1,0]=3 2021 B15R1.273 CCOc1cccnc1SC[C@@H](C)CO 62a_100000059175_100011597540 [0,1,0,0,0,0|2,1,0]=4 2022 B15R1.273 CCOc1cccnc1SC[C@@H](C)CO 62a_100011597540_100000059175 [0,1,0,0,0,0|2,1,0]=4 2023 B15R1.273 CCOc1cccnc1SC[C@@H](O)CF 62a_100011597540_100015614560 [0,1,0,0,0,0|2,1,0]=4 2024 B15R1.273 CCOc1cccnc1SC[C@@H](O)CF 62a_100015614560_100011597540 [0,1,0,0,0,0|2,1,0]=4 2025 B15R1.273 CCOc1cccnc1SC[C@@H](O)CO 62a_100009815848_100011597540 [0,1,0,0,0,0|1,1,0]=3 2026 B15R1.273 CCOc1cccnc1SC[C@@H](O)CO 62a_100011597540_100009815848 [0,1,0,0,0,0|1,1,0]=3 2027 B15R1.273 CCOc1ncccc1OCC(C)CC 34a_100011998697_100000748023 [0,1,0,0,0,0|3,0,0]=4 2028 B15R1.273 CCOc1ncccc1OCC(O)CC 34a_100011998697_100011218378 [0,1,0,0,0,0|2,0,0]=3 2029 B15R1.273 CCOc1ncccc1OCC(O)CO 34a_100011998697_100011219619 [0,1,0,0,0,0|1,0,0]=2 2030 B15R1.273 CCOc1ncccc1OC[C@@H](C)CC 34a_100011998697_100009816398 [0,1,0,0,0,0|3,0,0]=4 2031 B15R1.273 CCOc1ncccc1OC[C@@H](C)CO 34a_100011998697_100000059175 [0,1,0,0,0,0|2,0,0]=3 2032 B15R1.273 CCOc1ncccc1OC[C@@H](O)CF 34a_100011998697_100015614560 [0,1,0,0,0,0|2,0,0]=3 2033 B15R1.273 CCOc1ncccc1OC[C@@H](O)CO 34a_100011998697_100009815848 [0,1,0,0,0,0|1,0,0]=2 2034 B15R1.273 CCOc1ncccc1SCC(O)CC 62a_100011218378_100011465154 [0,1,0,0,0,0|2,1,0]=4 2035 B15R1.273 CCOc1ncccc1SCC(O)CC 62a_100011465154_100011218378 [0,1,0,0,0,0|2,1,0]=4 2036 B15R1.273 CCOc1ncccc1SCC(O)CO 62a_100011219619_100011465154 [0,1,0,0,0,0|1,1,0]=3 2037 B15R1.273 CCOc1ncccc1SCC(O)CO 62a_100011465154_100011219619 [0,1,0,0,0,0|1,1,0]=3 2038 B15R1.273 CCOc1ncccc1SC[C@@H](C)CO 62a_100000059175_100011465154 [0,1,0,0,0,0|2,1,0]=4 2039 B15R1.273 CCOc1ncccc1SC[C@@H](C)CO 62a_100011465154_100000059175 [0,1,0,0,0,0|2,1,0]=4 2040 B15R1.273 CCOc1ncccc1SC[C@@H](O)CF 62a_100011465154_100015614560 [0,1,0,0,0,0|2,1,0]=4 2041 B15R1.273 CCOc1ncccc1SC[C@@H](O)CF 62a_100015614560_100011465154 [0,1,0,0,0,0|2,1,0]=4 2042 B15R1.273 CCOc1ncccc1SC[C@@H](O)CO 62a_100009815848_100011465154 [0,1,0,0,0,0|1,1,0]=3 2043 B15R1.273 CCOc1ncccc1SC[C@@H](O)CO 62a_100011465154_100009815848 [0,1,0,0,0,0|1,1,0]=3 2044 B15R1.273 CCOc1nccnc1NC[C@H](O)CO 27a_100020644852_200010128176 [0,1,0,0,0,0|3,0,0]=4 2045 B15R1.273 CCOc1nccnc1SCC(O)CO 62a_100011219619_200010128176 [0,1,0,0,0,0|2,1,0]=4 2046 B15R1.273 CCOc1nccnc1SCC(O)CO 62a_200010128176_100011219619 [0,1,0,0,0,0|2,1,0]=4 2047 B15R1.273 CCOc1nccnc1SC[C@@H](O)CO 62a_100009815848_200010128176 [0,1,0,0,0,0|2,1,0]=4 2048 B15R1.273 CCOc1nccnc1SC[C@@H](O)CO 62a_200010128176_100009815848 [0,1,0,0,0,0|2,1,0]=4 2049 B15R1.273 CCSc1ccccc1NCC(O)CC 34a_100011223125_100011218378 [0,1,0,0,0,0|2,1,0]=4 2050 B15R1.273 CCSc1ccccc1NCC(O)CO 34a_100011223125_100011219619 [0,1,0,0,0,0|1,1,0]=3 2051 B15R1.273 CCSc1ccccc1NC[C@@H](C)CO 34a_100011223125_100000059175 [0,1,0,0,0,0|2,1,0]=4 2052 B15R1.273 CCSc1ccccc1NC[C@@H](O)CF 34a_100011223125_100015614560 [0,1,0,0,0,0|2,1,0]=4 2053 B15R1.273 CCSc1ccccc1NC[C@@H](O)CO 34a_100011223125_100009815848 [0,1,0,0,0,0|1,1,0]=3 2054 B15R1.273 CCSc1ccccc1SCC(O)CC 62a_100000230856_100011218378 [0,1,0,0,0,0|1,2,0]=4 2055 B15R1.273 CCSc1ccccc1SCC(O)CC 62a_100011218378_100000230856 [0,1,0,0,0,0|1,2,0]=4 2056 B15R1.273 CCSc1ccccc1SCC(O)CO 62a_100000230856_100011219619 [0,1,0,0,0,0|0,2,0]=3 2057 B15R1.273 CCSc1ccccc1SCC(O)CO 62a_100011219619_100000230856 [0,1,0,0,0,0|0,2,0]=3 2058 B15R1.273 CCSc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000230856 [0,1,0,0,0,0|1,2,0]=4 2059 B15R1.273 CCSc1ccccc1SC[C@@H](C)CO 62a_100000230856_100000059175 [0,1,0,0,0,0|1,2,0]=4 2060 B15R1.273 CCSc1ccccc1SC[C@@H](O)CF 62a_100000230856_100015614560 [0,1,0,0,0,0|1,2,0]=4 2061 B15R1.273 CCSc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000230856 [0,1,0,0,0,0|1,2,0]=4 2062 B15R1.273 CCSc1ccccc1SC[C@@H](O)CO 62a_100000230856_100009815848 [0,1,0,0,0,0|0,2,0]=3 2063 B15R1.273 CCSc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000230856 [0,1,0,0,0,0|0,2,0]=3 2064 B15R1.273 CC[C@H](C)COc1ccccc1CCBr 34a_100000722297_100009816398 [0,1,0,0,0,0|3,0,0]=4 2065 B15R1.273 CC[C@H](C)COc1ccccc1CCBr 7a_100000722297_100009816398 [0,1,0,0,0,0|3,0,0]=4 2066 B15R1.273 CC[C@H](C)COc1ccccc1CCN 34a_100011207237_100009816398 [0,1,0,0,0,0|3,0,0]=4 2067 B15R1.273 CC[C@H](C)COc1ccccc1CCO 34a_100000719421_100009816398 [0,1,0,0,0,0|3,0,0]=4 2068 B15R1.273 CC[C@H](C)COc1ccccc1CCO 7a_100000719421_100009816398 [0,1,0,0,0,0|3,0,0]=4 2069 B15R1.273 CC[C@H](C)COc1ccccc1CNC 34a_100015189988_100009816398 [0,1,0,0,0,0|3,0,0]=4 2070 B15R1.273 CC[C@H](C)COc1ccccc1COC 34a_100011488565_100009816398 [0,1,0,0,0,0|2,0,0]=3 2071 B15R1.273 CC[C@H](C)COc1ccccc1COC 7a_100011488565_100009816398 [0,1,0,0,0,0|2,0,0]=3 2072 B15R1.273 CC[C@H](C)CSc1ccccc1COC 62a_100009816398_100011493684 [0,1,0,0,0,0|2,1,0]=4 2073 B15R1.273 CC[C@H](C)CSc1ccccc1COC 62a_100011493684_100009816398 [0,1,0,0,0,0|2,1,0]=4 2074 B15R1.273 CNCc1ccccc1OCC(O)CO 34a_100015189988_100011219619 [0,1,0,0,0,0|1,0,0]=2 2075 B15R1.273 CNCc1ccccc1OC[C@@H](C)CO 34a_100015189988_100000059175 [0,1,0,0,0,0|2,0,0]=3 2076 B15R1.273 CNCc1ccccc1OC[C@@H](O)CF 34a_100015189988_100015614560 [0,1,0,0,0,0|2,0,0]=3 2077 B15R1.273 CNCc1ccccc1OC[C@@H](O)CO 34a_100015189988_100009815848 [0,1,0,0,0,0|1,0,0]=2 2078 B15R1.273 CNCc1ccccc1SCC(O)CO 62a_100000184654_100011219619 [0,1,0,0,0,0|1,1,0]=3 2079 B15R1.273 CNCc1ccccc1SCC(O)CO 62a_100011219619_100000184654 [0,1,0,0,0,0|1,1,0]=3 2080 B15R1.273 CNCc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000184654 [0,1,0,0,0,0|2,1,0]=4 2081 B15R1.273 CNCc1ccccc1SC[C@@H](C)CO 62a_100000184654_100000059175 [0,1,0,0,0,0|2,1,0]=4 2082 B15R1.273 CNCc1ccccc1SC[C@@H](O)CF 62a_100000184654_100015614560 [0,1,0,0,0,0|2,1,0]=4 2083 B15R1.273 CNCc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000184654 [0,1,0,0,0,0|2,1,0]=4 2084 B15R1.273 CNCc1ccccc1SC[C@@H](O)CO 62a_100000184654_100009815848 [0,1,0,0,0,0|1,1,0]=3 2085 B15R1.273 CNCc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000184654 [0,1,0,0,0,0|1,1,0]=3 2086 B15R1.273 CNCc1cccnc1SCC(O)CO 62a_100011219619_103496529121 [0,1,0,0,0,0|2,1,0]=4 2087 B15R1.273 CNCc1cccnc1SCC(O)CO 62a_103496529121_100011219619 [0,1,0,0,0,0|2,1,0]=4 2088 B15R1.273 CNCc1cccnc1SC[C@@H](O)CO 62a_100009815848_103496529121 [0,1,0,0,0,0|2,1,0]=4 2089 B15R1.273 CNCc1cccnc1SC[C@@H](O)CO 62a_103496529121_100009815848 [0,1,0,0,0,0|2,1,0]=4 2090 B15R1.273 COCc1ccccc1OCC(O)CO 34a_100011488565_100011219619 [0,1,0,0,0,0|0,0,0]=1 2091 B15R1.273 COCc1ccccc1OCC(O)CO 7a_100011488565_100011219619 [0,1,0,0,0,0|0,0,0]=1 2092 B15R1.273 COCc1ccccc1OC[C@@H](C)CO 34a_100011488565_100000059175 [0,1,0,0,0,0|1,0,0]=2 2093 B15R1.273 COCc1ccccc1OC[C@@H](C)CO 7a_100011488565_100000059175 [0,1,0,0,0,0|1,0,0]=2 2094 B15R1.273 COCc1ccccc1OC[C@@H](O)CF 34a_100011488565_100015614560 [0,1,0,0,0,0|1,0,0]=2 2095 B15R1.273 COCc1ccccc1OC[C@@H](O)CF 7a_100011488565_100015614560 [0,1,0,0,0,0|1,0,0]=2 2096 B15R1.273 COCc1ccccc1OC[C@@H](O)CO 34a_100011488565_100009815848 [0,1,0,0,0,0|0,0,0]=1 2097 B15R1.273 COCc1ccccc1OC[C@@H](O)CO 7a_100011488565_100009815848 [0,1,0,0,0,0|0,0,0]=1 2098 B15R1.273 COCc1ccccc1SCC(O)CO 62a_100011219619_100011493684 [0,1,0,0,0,0|0,1,0]=2 2099 B15R1.273 COCc1ccccc1SCC(O)CO 62a_100011493684_100011219619 [0,1,0,0,0,0|0,1,0]=2 2100 B15R1.273 COCc1ccccc1SC[C@@H](C)CO 62a_100000059175_100011493684 [0,1,0,0,0,0|1,1,0]=3 2101 B15R1.273 COCc1ccccc1SC[C@@H](C)CO 62a_100011493684_100000059175 [0,1,0,0,0,0|1,1,0]=3 2102 B15R1.273 COCc1ccccc1SC[C@@H](O)CF 62a_100011493684_100015614560 [0,1,0,0,0,0|1,1,0]=3 2103 B15R1.273 COCc1ccccc1SC[C@@H](O)CF 62a_100015614560_100011493684 [0,1,0,0,0,0|1,1,0]=3 2104 B15R1.273 COCc1ccccc1SC[C@@H](O)CO 62a_100009815848_100011493684 [0,1,0,0,0,0|0,1,0]=2 2105 B15R1.273 COCc1ccccc1SC[C@@H](O)CO 62a_100011493684_100009815848 [0,1,0,0,0,0|0,1,0]=2 2106 B15R1.273 CSCc1ccccc1SCC(O)CO 62a_100000148299_100011219619 [0,1,0,0,0,0|0,2,0]=3 2107 B15R1.273 CSCc1ccccc1SCC(O)CO 62a_100011219619_100000148299 [0,1,0,0,0,0|0,2,0]=3 2108 B15R1.273 CSCc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000148299 [0,1,0,0,0,0|1,2,0]=4 2109 B15R1.273 CSCc1ccccc1SC[C@@H](C)CO 62a_100000148299_100000059175 [0,1,0,0,0,0|1,2,0]=4 2110 B15R1.273 CSCc1ccccc1SC[C@@H](O)CF 62a_100000148299_100015614560 [0,1,0,0,0,0|1,2,0]=4 2111 B15R1.273 CSCc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000148299 [0,1,0,0,0,0|1,2,0]=4 2112 B15R1.273 CSCc1ccccc1SC[C@@H](O)CO 62a_100000148299_100009815848 [0,1,0,0,0,0|0,2,0]=3 2113 B15R1.273 CSCc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000148299 [0,1,0,0,0,0|0,2,0]=3 2114 B15R1.273 C[C@@H](CO)CNc1ccccc1CCO 2230a_100011215289_100000059175 [0,1,0,0,0,0|3,0,0]=4 2115 B15R1.273 C[C@@H](CO)CNc1ccccc1CCO 34a_100011215289_100000059175 [0,1,0,0,0,0|3,0,0]=4 2116 B15R1.273 C[C@@H](CO)COc1ccccc1CC#N 34a_100000043107_100000059175 [0,1,0,0,0,0|2,0,1]=4 2117 B15R1.273 C[C@@H](CO)COc1ccccc1CC#N 7a_100000043107_100000059175 [0,1,0,0,0,0|2,0,1]=4 2118 B15R1.273 C[C@@H](CO)COc1ccccc1CCBr 34a_100000722297_100000059175 [0,1,0,0,0,0|2,0,0]=3 2119 B15R1.273 C[C@@H](CO)COc1ccccc1CCBr 7a_100000722297_100000059175 [0,1,0,0,0,0|2,0,0]=3 2120 B15R1.273 C[C@@H](CO)COc1ccccc1CCN 34a_100011207237_100000059175 [0,1,0,0,0,0|2,0,0]=3 2121 B15R1.273 C[C@@H](CO)COc1ccccc1CCO 34a_100000719421_100000059175 [0,1,0,0,0,0|2,0,0]=3 2122 B15R1.273 C[C@@H](CO)COc1ccccc1CCO 7a_100000719421_100000059175 [0,1,0,0,0,0|2,0,0]=3 2123 B15R1.273 C[C@@H](CO)CSc1ccccc1CCN 62a_100000059175_100000747383 [0,1,0,0,0,0|2,1,0]=4 2124 B15R1.273 C[C@@H](CO)CSc1ccccc1CCN 62a_100000747383_100000059175 [0,1,0,0,0,0|2,1,0]=4 2125 B15R1.273 C[C@@H](CO)CSc1ccccc1CCO 62a_100000059175_100000731337 [0,1,0,0,0,0|2,1,0]=4 2126 B15R1.273 C[C@@H](CO)CSc1ccccc1CCO 62a_100000731337_100000059175 [0,1,0,0,0,0|2,1,0]=4 2127 B15R1.273 N#CCc1ccccc1OCC(O)CO 34a_100000043107_100011219619 [0,1,0,0,0,0|1,0,1]=3 2128 B15R1.273 N#CCc1ccccc1OCC(O)CO 7a_100000043107_100011219619 [0,1,0,0,0,0|1,0,1]=3 2129 B15R1.273 N#CCc1ccccc1OC[C@@H](O)CF 34a_100000043107_100015614560 [0,1,0,0,0,0|2,0,1]=4 2130 B15R1.273 N#CCc1ccccc1OC[C@@H](O)CF 7a_100000043107_100015614560 [0,1,0,0,0,0|2,0,1]=4 2131 B15R1.273 N#CCc1ccccc1OC[C@@H](O)CO 34a_100000043107_100009815848 [0,1,0,0,0,0|1,0,1]=3 2132 B15R1.273 N#CCc1ccccc1OC[C@@H](O)CO 7a_100000043107_100009815848 [0,1,0,0,0,0|1,0,1]=3 2133 B15R1.273 N#CCc1ccccc1SCC(O)CO 62a_100000033512_100011219619 [0,1,0,0,0,0|1,1,1]=4 2134 B15R1.273 N#CCc1ccccc1SCC(O)CO 62a_100011219619_100000033512 [0,1,0,0,0,0|1,1,1]=4 2135 B15R1.273 N#CCc1ccccc1SC[C@@H](O)CO 62a_100000033512_100009815848 [0,1,0,0,0,0|1,1,1]=4 2136 B15R1.273 N#CCc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000033512 [0,1,0,0,0,0|1,1,1]=4 2137 B15R1.273 N#CNc1ccccc1SCC(O)CO 62a_100011219619_100011685340 [0,1,0,0,0,0|1,1,1]=4 2138 B15R1.273 N#CNc1ccccc1SC[C@@H](O)CO 62a_100009815848_100011685340 [0,1,0,0,0,0|1,1,1]=4 2139 B15R1.273 NCCc1ccccc1OCC(O)CO 34a_100011207237_100011219619 [0,1,0,0,0,0|1,0,0]=2 2140 B15R1.273 NCCc1ccccc1OC[C@@H](O)CF 34a_100011207237_100015614560 [0,1,0,0,0,0|2,0,0]=3 2141 B15R1.273 NCCc1ccccc1OC[C@@H](O)CO 34a_100011207237_100009815848 [0,1,0,0,0,0|1,0,0]=2 2142 B15R1.273 NCCc1ccccc1SCC(O)CO 62a_100000747383_100011219619 [0,1,0,0,0,0|1,1,0]=3 2143 B15R1.273 NCCc1ccccc1SCC(O)CO 62a_100011219619_100000747383 [0,1,0,0,0,0|1,1,0]=3 2144 B15R1.273 NCCc1ccccc1SC[C@@H](O)CF 62a_100000747383_100015614560 [0,1,0,0,0,0|2,1,0]=4 2145 B15R1.273 NCCc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000747383 [0,1,0,0,0,0|2,1,0]=4 2146 B15R1.273 NCCc1ccccc1SC[C@@H](O)CO 62a_100000747383_100009815848 [0,1,0,0,0,0|1,1,0]=3 2147 B15R1.273 NCCc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000747383 [0,1,0,0,0,0|1,1,0]=3 2148 B15R1.273 NNCc1ccccc1SCC(O)CO 62a_100011219619_200016993956 [0,1,0,0,0,0|2,1,0]=4 2149 B15R1.273 NNCc1ccccc1SCC(O)CO 62a_200016993956_100011219619 [0,1,0,0,0,0|2,1,0]=4 2150 B15R1.273 NNCc1ccccc1SC[C@@H](O)CO 62a_100009815848_200016993956 [0,1,0,0,0,0|2,1,0]=4 2151 B15R1.273 NNCc1ccccc1SC[C@@H](O)CO 62a_200016993956_100009815848 [0,1,0,0,0,0|2,1,0]=4 2152 B15R1.273 O=CNc1ccccc1SCC(O)CO 62a_100011219619_200020615051 [0,1,0,0,0,0|1,1,1]=4 2153 B15R1.273 O=CNc1ccccc1SCC(O)CO 62a_200020615051_100011219619 [0,1,0,0,0,0|1,1,1]=4 2154 B15R1.273 O=CNc1ccccc1SC[C@@H](O)CO 62a_100009815848_200020615051 [0,1,0,0,0,0|1,1,1]=4 2155 B15R1.273 O=CNc1ccccc1SC[C@@H](O)CO 62a_200020615051_100009815848 [0,1,0,0,0,0|1,1,1]=4 2156 B15R1.273 OCC(O)COc1ccccc1CCBr 34a_100000722297_100011219619 [0,1,0,0,0,0|1,0,0]=2 2157 B15R1.273 OCC(O)COc1ccccc1CCBr 7a_100000722297_100011219619 [0,1,0,0,0,0|1,0,0]=2 2158 B15R1.273 OCCc1ccccc1NCC(O)CO 2230a_100011215289_100011219619 [0,1,0,0,0,0|2,0,0]=3 2159 B15R1.273 OCCc1ccccc1NCC(O)CO 34a_100011215289_100011219619 [0,1,0,0,0,0|2,0,0]=3 2160 B15R1.273 OCCc1ccccc1NC[C@@H](O)CF 2230a_100011215289_100015614560 [0,1,0,0,0,0|3,0,0]=4 2161 B15R1.273 OCCc1ccccc1NC[C@@H](O)CF 34a_100011215289_100015614560 [0,1,0,0,0,0|3,0,0]=4 2162 B15R1.273 OCCc1ccccc1NC[C@@H](O)CO 2230a_100011215289_100009815848 [0,1,0,0,0,0|2,0,0]=3 2163 B15R1.273 OCCc1ccccc1NC[C@@H](O)CO 34a_100011215289_100009815848 [0,1,0,0,0,0|2,0,0]=3 2164 B15R1.273 OCCc1ccccc1OCC(O)CO 34a_100000719421_100011219619 [0,1,0,0,0,0|1,0,0]=2 2165 B15R1.273 OCCc1ccccc1OCC(O)CO 7a_100000719421_100011219619 [0,1,0,0,0,0|1,0,0]=2 2166 B15R1.273 OCCc1ccccc1OC[C@@H](O)CF 34a_100000719421_100015614560 [0,1,0,0,0,0|2,0,0]=3 2167 B15R1.273 OCCc1ccccc1OC[C@@H](O)CF 7a_100000719421_100015614560 [0,1,0,0,0,0|2,0,0]=3 2168 B15R1.273 OCCc1ccccc1OC[C@@H](O)CO 34a_100000719421_100009815848 [0,1,0,0,0,0|1,0,0]=2 2169 B15R1.273 OCCc1ccccc1OC[C@@H](O)CO 7a_100000719421_100009815848 [0,1,0,0,0,0|1,0,0]=2 2170 B15R1.273 OCCc1ccccc1SCC(O)CO 62a_100000731337_100011219619 [0,1,0,0,0,0|1,1,0]=3 2171 B15R1.273 OCCc1ccccc1SCC(O)CO 62a_100011219619_100000731337 [0,1,0,0,0,0|1,1,0]=3 2172 B15R1.273 OCCc1ccccc1SC[C@@H](O)CF 62a_100000731337_100015614560 [0,1,0,0,0,0|2,1,0]=4 2173 B15R1.273 OCCc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000731337 [0,1,0,0,0,0|2,1,0]=4 2174 B15R1.273 OCCc1ccccc1SC[C@@H](O)CO 62a_100000731337_100009815848 [0,1,0,0,0,0|1,1,0]=3 2175 B15R1.273 OCCc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000731337 [0,1,0,0,0,0|1,1,0]=3 2176 B15R1.273 OC[C@H](O)COc1ccccc1CCBr 34a_100000722297_100009815848 [0,1,0,0,0,0|1,0,0]=2 2177 B15R1.273 OC[C@H](O)COc1ccccc1CCBr 7a_100000722297_100009815848 [0,1,0,0,0,0|1,0,0]=2 2178 B15R1.273 O[C@@H](CF)COc1ccccc1CCBr 34a_100000722297_100015614560 [0,1,0,0,0,0|2,0,0]=3 2179 B15R1.273 O[C@@H](CF)COc1ccccc1CCBr 7a_100000722297_100015614560 [0,1,0,0,0,0|2,0,0]=3 2180 B15R1.273 [N-]=[N+]=Nc1ccccc1SCC(O)CO 62a_100011219619_100000762926 [0,1,0,0,0,0|2,1,0]=4 2181 B15R1.273 [N-]=[N+]=Nc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000762926 [0,1,0,0,0,0|2,1,0]=4 2182 B15R1.768 C#CCC(=O)COc1ccccc1OC 1458a_100000182946_100000184674 [0,1,0,0,0,0|1,0,2]=4 2183 B15R1.768 C#Cc1ccccc1NCC(O)COC 34a_100011470550_100011215053 [0,1,0,0,0,0|2,0,1]=4 2184 B15R1.768 C#Cc1ccccc1OCC(O)COC 34a_200011470546_100011215053 [0,1,0,0,0,0|1,0,1]=3 2185 B15R1.768 C#Cc1ccccc1OCC(O)COC 7a_200011470546_100011215053 [0,1,0,0,0,0|1,0,1]=3 2186 B15R1.768 C#Cc1ccccc1OC[C@@H](O)CC#N 7a_200011470546_100000001066 [0,1,0,0,0,0|2,0,1]=4 2187 B15R1.768 C=CCC(=O)COc1ccccc1OC 1458a_100000182946_100000210623 [0,1,0,0,0,0|1,0,2]=4 2188 B15R1.768 C=Cc1ccccc1NCC(O)COC 34a_100012022501_100011215053 [0,1,0,0,0,0|2,0,1]=4 2189 B15R1.768 C=Cc1ccccc1SCC(O)COC 62a_100011215053_100011218376 [0,1,0,0,0,0|1,1,1]=4 2190 B15R1.768 C=Cc1ccccc1SCC(O)COC 62a_100011218376_100011215053 [0,1,0,0,0,0|1,1,1]=4 2191 B15R1.768 CCCC(=O)COc1ccccc1OC 1458a_100000182946_100000210303 [0,1,0,0,0,0|1,0,2]=4 2192 B15R1.768 CCCC(C)CNc1ccccc1OC 34a_100000210025_100011216630 [0,1,0,0,0,0|3,0,0]=4 2193 B15R1.768 CCCC(C)COc1ccccc1CC 34a_100000210936_100011216630 [0,1,0,0,0,0|3,0,0]=4 2194 B15R1.768 CCCC(C)COc1ccccc1CC 7a_100000210936_100011216630 [0,1,0,0,0,0|3,0,0]=4 2195 B15R1.768 CCCC(C)COc1ccccc1NC 34a_100000033821_100011216630 [0,1,0,0,0,0|3,0,0]=4 2196 B15R1.768 CCCC(C)COc1ccccc1OC 34a_100000210385_100011216630 [0,1,0,0,0,0|2,0,0]=3 2197 B15R1.768 CCCC(C)COc1ccccc1SC 34a_100011216402_100011216630 [0,1,0,0,0,0|2,1,0]=4 2198 B15R1.768 CCCC(C)COc1cccnc1OC 34a_100000698397_100011216630 [0,1,0,0,0,0|3,0,0]=4 2199 B15R1.768 CCCC(C)COc1cccnc1OC 7a_100000698397_100011216630 [0,1,0,0,0,0|3,0,0]=4 2200 B15R1.768 CCCC(C)COc1cnccc1OC 34a_100000101186_100011216630 [0,1,0,0,0,0|3,0,0]=4 2201 B15R1.768 CCCC(C)COc1ncccc1OC 34a_100025773188_100011216630 [0,1,0,0,0,0|3,0,0]=4 2202 B15R1.768 CCCC(C)CSc1ccccc1OC 62a_100000210334_100011216630 [0,1,0,0,0,0|2,1,0]=4 2203 B15R1.768 CCCC(C)CSc1ccccc1OC 62a_100011216630_100000210334 [0,1,0,0,0,0|2,1,0]=4 2204 B15R1.768 CCNC(=O)COc1ccccc1OC 11a_100015525214_100000182946 [0,1,0,0,0,0|1,0,2]=4 2205 B15R1.768 CCNC(=O)COc1ccccc1OC 240690a_100015525214_100000182946 [0,1,0,0,0,0|1,0,2]=4 2206 B15R1.768 CCNC(=O)COc1ccccc1OC 34a_100000210385_100000183381 [0,1,0,0,0,0|1,0,2]=4 2207 B15R1.768 CCNC(=O)COc1ccccc1OC 527a_100015525214_100000182946 [0,1,0,0,0,0|1,0,2]=4 2208 B15R1.768 CCNC(C)COc1ccccc1OC 2230a_100000743626_100000210202 [0,1,0,0,0,0|2,0,0]=3 2209 B15R1.768 CCOC(=O)COc1ccccc1OC 34a_100000210385_100000188475 [0,1,0,0,0,0|1,0,2]=4 2210 B15R1.768 CCOC(=O)COc1ccccc1OC 7a_100000182178_200000210301 [0,1,0,0,0,0|1,0,2]=4 2211 B15R1.768 CCOC(=O)COc1ccccc1O[13CH3] 7a_100000182178_200025704644 [0,1,0,0,0,0|1,0,2]=4 2212 B15R1.768 CCOC(C)COc1ccccc1OC 34a_100000242603_100000210202 [0,1,0,0,0,0|2,0,0]=3 2213 B15R1.768 CCOC(C)COc1ccccc1OC 7a_100000242603_100000210202 [0,1,0,0,0,0|2,0,0]=3 2214 B15R1.768 CCc1ccccc1NCC(O)COC 34a_100000212081_100011215053 [0,1,0,0,0,0|2,0,0]=3 2215 B15R1.768 CCc1ccccc1NCC(O)COC 7a_100000212081_100011215053 [0,1,0,0,0,0|2,0,0]=3 2216 B15R1.768 CCc1ccccc1NC[C@@H](O)CC#N 2230a_100000212081_100000001066 [0,1,0,0,0,0|3,0,0]=4 2217 B15R1.768 CCc1ccccc1NC[C@@H](O)CC#N 7a_100000212081_100000001066 [0,1,0,0,0,0|3,0,0]=4 2218 B15R1.768 CCc1ccccc1OCC(=O)CCO 1458a_100000182566_100000211926 [0,1,0,0,0,0|1,0,2]=4 2219 B15R1.768 CCc1ccccc1OCC(=O)NCO 34a_100000210936_100000185155 [0,1,0,0,0,0|1,0,2]=4 2220 B15R1.768 CCc1ccccc1OCC(=O)NCO 7a_100000210936_100000185155 [0,1,0,0,0,0|1,0,2]=4 2221 B15R1.768 CCc1ccccc1OCC(O)COC 34a_100000210936_100011215053 [0,1,0,0,0,0|1,0,0]=2 2222 B15R1.768 CCc1ccccc1OCC(O)COC 7a_100000210936_100011215053 [0,1,0,0,0,0|1,0,0]=2 2223 B15R1.768 CCc1ccccc1OC[C@@H](O)CC#N 7a_100000210936_100000001066 [0,1,0,0,0,0|2,0,0]=3 2224 B15R1.768 CCc1ccccc1SCC(O)COC 62a_100011215053_100011215823 [0,1,0,0,0,0|1,1,0]=3 2225 B15R1.768 CCc1ccccc1SCC(O)COC 62a_100011215823_100011215053 [0,1,0,0,0,0|1,1,0]=3 2226 B15R1.768 CCc1ccccc1SC[C@@H](O)CC#N 62a_100000001066_100011215823 [0,1,0,0,0,0|2,1,0]=4 2227 B15R1.768 CCc1ccccc1SC[C@@H](O)CC#N 62a_100011215823_100000001066 [0,1,0,0,0,0|2,1,0]=4 2228 B15R1.768 CCc1ccncc1SCC(O)COC 62a_100009819861_100011215053 [0,1,0,0,0,0|2,1,0]=4 2229 B15R1.768 CCc1ccncc1SCC(O)COC 62a_100011215053_100009819861 [0,1,0,0,0,0|2,1,0]=4 2230 B15R1.768 CCc1cnccc1SCC(O)COC 62a_100011215053_100025704421 [0,1,0,0,0,0|2,1,0]=4 2231 B15R1.768 CCc1cnccc1SCC(O)COC 62a_100025704421_100011215053 [0,1,0,0,0,0|2,1,0]=4 2232 B15R1.768 CCc1ncccc1SCC(O)COC 62a_100009877225_100011215053 [0,1,0,0,0,0|2,1,0]=4 2233 B15R1.768 CCc1ncccc1SCC(O)COC 62a_100011215053_100009877225 [0,1,0,0,0,0|2,1,0]=4 2234 B15R1.768 CNc1ccccc1OCC(=O)NCO 34a_100000033821_100000185155 [0,1,0,0,0,0|1,0,2]=4 2235 B15R1.768 CNc1ccccc1OCC(O)COC 34a_100000033821_100011215053 [0,1,0,0,0,0|1,0,0]=2 2236 B15R1.768 CNc1ccccc1SCC(O)COC 62a_100011215053_100020606079 [0,1,0,0,0,0|1,1,0]=3 2237 B15R1.768 CNc1ccccc1SCC(O)COC 62a_100020606079_100011215053 [0,1,0,0,0,0|1,1,0]=3 2238 B15R1.768 CNc1ccccc1SC[C@@H](O)CC#N 62a_100000001066_100020606079 [0,1,0,0,0,0|2,1,0]=4 2239 B15R1.768 CNc1ccccc1SC[C@@H](O)CC#N 62a_100020606079_100000001066 [0,1,0,0,0,0|2,1,0]=4 2240 B15R1.768 CNc1cccnc1SCC(O)COC 62a_100011215053_200011806188 [0,1,0,0,0,0|2,1,0]=4 2241 B15R1.768 CNc1ccncc1SCC(O)COC 62a_100010069531_100011215053 [0,1,0,0,0,0|2,1,0]=4 2242 B15R1.768 CNc1ccncc1SCC(O)COC 62a_100011215053_100010069531 [0,1,0,0,0,0|2,1,0]=4 2243 B15R1.768 CNc1ncccc1SCC(O)COC 62a_100000700899_100011215053 [0,1,0,0,0,0|2,1,0]=4 2244 B15R1.768 CNc1ncccc1SCC(O)COC 62a_100011215053_100000700899 [0,1,0,0,0,0|2,1,0]=4 2245 B15R1.768 COCC(=O)CCc1ccccc1OC 1458a_100000210968_100011713687 [0,1,0,0,0,0|1,0,2]=4 2246 B15R1.768 COCC(C)NCc1ccccc1OC 270004a_100000188900_100000749346 [0,1,0,0,0,0|3,0,0]=4 2247 B15R1.768 COCC(C)NCc1ccccc1OC 34a_100000188900_100000765312 [0,1,0,0,0,0|3,0,0]=4 2248 B15R1.768 COCC(C)OCc1ccccc1OC 34a_100000211301_100000765312 [0,1,0,0,0,0|3,0,0]=4 2249 B15R1.768 COCC(C)SCc1ccccc1OC 62a_100000210004_100000765312 [0,1,0,0,0,0|3,0,0]=4 2250 B15R1.768 COCC(C)SCc1ccccc1OC 62a_100000765312_100000210004 [0,1,0,0,0,0|3,0,0]=4 2251 B15R1.768 COCC(O)CNc1ccccc1C#N 34a_100000211148_100011215053 [0,1,0,0,0,0|3,0,0]=4 2252 B15R1.768 COCC(O)CNc1ccccc1CO 34a_100000212039_100011215053 [0,1,0,0,0,0|3,0,0]=4 2253 B15R1.768 COCC(O)CNc1ccccc1OC 34a_100000210025_100011215053 [0,1,0,0,0,0|1,0,0]=2 2254 B15R1.768 COCC(O)CNc1ccccc1SC 34a_100000211160_100011215053 [0,1,0,0,0,0|1,1,0]=3 2255 B15R1.768 COCC(O)CNc1nccnc1OC 27a_100000756049_100009858322 [0,1,0,0,0,0|3,0,0]=4 2256 B15R1.768 COCC(O)CNc1ncncc1OC 27a_100000756049_100012001275 [0,1,0,0,0,0|3,0,0]=4 2257 B15R1.768 COCC(O)COc1ccccc1C#N 34a_100000211048_100011215053 [0,1,0,0,0,0|2,0,0]=3 2258 B15R1.768 COCC(O)COc1ccccc1C#N 7a_100000211048_100011215053 [0,1,0,0,0,0|2,0,0]=3 2259 B15R1.768 COCC(O)COc1ccccc1CN 34a_100000185550_100011215053 [0,1,0,0,0,0|2,0,0]=3 2260 B15R1.768 COCC(O)COc1ccccc1CO 34a_100011216872_100011215053 [0,1,0,0,0,0|2,0,0]=3 2261 B15R1.768 COCC(O)COc1ccccc1OC 34a_100000210385_100011215053 [0,1,0,0,0,0|0,0,0]=1 2262 B15R1.768 COCC(O)COc1ccccc1SC 34a_100011216402_100011215053 [0,1,0,0,0,0|0,1,0]=2 2263 B15R1.768 COCC(O)COc1cccnc1C#N 34a_100000722750_100011215053 [0,1,0,0,0,0|3,0,0]=4 2264 B15R1.768 COCC(O)COc1cccnc1C#N 7a_100000722750_100011215053 [0,1,0,0,0,0|3,0,0]=4 2265 B15R1.768 COCC(O)COc1cccnc1CBr 34a_200020655725_100011215053 [0,1,0,0,0,0|3,0,0]=4 2266 B15R1.768 COCC(O)COc1cccnc1CBr 7a_200020655725_100011215053 [0,1,0,0,0,0|3,0,0]=4 2267 B15R1.768 COCC(O)COc1cccnc1CO 34a_100000731849_100011215053 [0,1,0,0,0,0|3,0,0]=4 2268 B15R1.768 COCC(O)COc1cccnc1OC 34a_100000698397_100011215053 [0,1,0,0,0,0|1,0,0]=2 2269 B15R1.768 COCC(O)COc1cccnc1OC 7a_100000698397_100011215053 [0,1,0,0,0,0|1,0,0]=2 2270 B15R1.768 COCC(O)COc1cnccc1C#N 7a_100012181322_100011215053 [0,1,0,0,0,0|3,0,0]=4 2271 B15R1.768 COCC(O)COc1cnccc1CO 34a_100000078615_100011215053 [0,1,0,0,0,0|3,0,0]=4 2272 B15R1.768 COCC(O)COc1cnccc1OC 34a_100000101186_100011215053 [0,1,0,0,0,0|1,0,0]=2 2273 B15R1.768 COCC(O)COc1ncccc1OC 34a_100025773188_100011215053 [0,1,0,0,0,0|1,0,0]=2 2274 B15R1.768 COCC(O)CSc1ccccc1C#N 62a_100011215053_100000188569 [0,1,0,0,0,0|2,1,0]=4 2275 B15R1.768 COCC(O)CSc1ccccc1C=O 62a_100000210073_100011215053 [0,1,0,0,0,0|2,1,0]=4 2276 B15R1.768 COCC(O)CSc1ccccc1C=O 62a_100011215053_100000210073 [0,1,0,0,0,0|2,1,0]=4 2277 B15R1.768 COCC(O)CSc1ccccc1CN 62a_100000689332_100011215053 [0,1,0,0,0,0|2,1,0]=4 2278 B15R1.768 COCC(O)CSc1ccccc1CN 62a_100011215053_100000689332 [0,1,0,0,0,0|2,1,0]=4 2279 B15R1.768 COCC(O)CSc1ccccc1CO 62a_100000187465_100011215053 [0,1,0,0,0,0|2,1,0]=4 2280 B15R1.768 COCC(O)CSc1ccccc1CO 62a_100011215053_100000187465 [0,1,0,0,0,0|2,1,0]=4 2281 B15R1.768 COCC(O)CSc1ccccc1NN 62a_100000241748_100011215053 [0,1,0,0,0,0|2,1,0]=4 2282 B15R1.768 COCC(O)CSc1ccccc1NN 62a_100011215053_100000241748 [0,1,0,0,0,0|2,1,0]=4 2283 B15R1.768 COCC(O)CSc1ccccc1OC 62a_100000210334_100011215053 [0,1,0,0,0,0|0,1,0]=2 2284 B15R1.768 COCC(O)CSc1ccccc1OC 62a_100011215053_100000210334 [0,1,0,0,0,0|0,1,0]=2 2285 B15R1.768 COCC(O)CSc1ccccc1SC 62a_100011215053_100011217816 [0,1,0,0,0,0|0,2,0]=3 2286 B15R1.768 COCC(O)CSc1ccccc1SC 62a_100011217816_100011215053 [0,1,0,0,0,0|0,2,0]=3 2287 B15R1.768 COCC(O)CSc1cccnc1OC 62a_100000047025_100011215053 [0,1,0,0,0,0|1,1,0]=3 2288 B15R1.768 COCC(O)CSc1cccnc1OC 62a_100011215053_100000047025 [0,1,0,0,0,0|1,1,0]=3 2289 B15R1.768 COCC(O)CSc1cccnc1SC 62a_100011215053_100011465278 [0,1,0,0,0,0|1,2,0]=4 2290 B15R1.768 COCC(O)CSc1cccnc1SC 62a_100011465278_100011215053 [0,1,0,0,0,0|1,2,0]=4 2291 B15R1.768 COCC(O)CSc1ccncc1OC 62a_100011215053_100016988167 [0,1,0,0,0,0|1,1,0]=3 2292 B15R1.768 COCC(O)CSc1ccncc1OC 62a_100016988167_100011215053 [0,1,0,0,0,0|1,1,0]=3 2293 B15R1.768 COCC(O)CSc1cnccc1OC 62a_100011215053_100011997281 [0,1,0,0,0,0|1,1,0]=3 2294 B15R1.768 COCC(O)CSc1cnccc1OC 62a_100011997281_100011215053 [0,1,0,0,0,0|1,1,0]=3 2295 B15R1.768 COCC(O)CSc1cncnc1OC 62a_100000719902_100011215053 [0,1,0,0,0,0|2,1,0]=4 2296 B15R1.768 COCC(O)CSc1cncnc1OC 62a_100011215053_100000719902 [0,1,0,0,0,0|2,1,0]=4 2297 B15R1.768 COCC(O)CSc1ncccc1OC 62a_100000767102_100011215053 [0,1,0,0,0,0|1,1,0]=3 2298 B15R1.768 COCC(O)CSc1ncccc1OC 62a_100011215053_100000690851 [0,1,0,0,0,0|1,1,0]=3 2299 B15R1.768 COCC(O)CSc1nccnc1OC 62a_100009858322_100011215053 [0,1,0,0,0,0|2,1,0]=4 2300 B15R1.768 COCC(O)CSc1nccnc1OC 62a_100011215053_100000749998 [0,1,0,0,0,0|2,1,0]=4 2301 B15R1.768 COCC(O)CSc1ncncc1OC 62a_100011215053_100012001275 [0,1,0,0,0,0|2,1,0]=4 2302 B15R1.768 COCC(O)CSc1ncncc1OC 62a_100012001275_100011215053 [0,1,0,0,0,0|2,1,0]=4 2303 B15R1.768 COCN(C)CCc1ccccc1OC 2230a_100000231131_100000766300 [0,1,0,0,0,0|3,0,0]=4 2304 B15R1.768 COCN(C)CCc1ccccc1OC 269982a_100000231131_100000766300 [0,1,0,0,0,0|3,0,0]=4 2305 B15R1.768 COC[C@@H](C)NCc1ccccc1OC 207a_100000764878_100000169842 [0,1,0,0,0,0|3,0,0]=4 2306 B15R1.768 COC[C@@H](C)NCc1ccccc1OC 2230a_100000764878_100000210004 [0,1,0,0,0,0|3,0,0]=4 2307 B15R1.768 COC[C@@H](C)NCc1ccccc1OC 270004a_100000764878_100000169842 [0,1,0,0,0,0|3,0,0]=4 2308 B15R1.768 COC[C@@H](C)OCc1ccccc1OC 34a_100011934205_100000210004 [0,1,0,0,0,0|3,0,0]=4 2309 B15R1.768 COc1ccccc1CCC(=O)CCO 1458a_100000184355_100000211926 [0,1,0,0,0,0|1,0,2]=4 2310 B15R1.768 COc1ccccc1CCC(=O)CCO 1458a_100011216618_100011713687 [0,1,0,0,0,0|1,0,2]=4 2311 B15R1.768 COc1ccccc1CCN(C)CCO 2230a_100000210263_100011713687 [0,1,0,0,0,0|3,0,0]=4 2312 B15R1.768 COc1ccccc1CCN(C)CCO 2230a_100000231131_100000211926 [0,1,0,0,0,0|3,0,0]=4 2313 B15R1.768 COc1ccccc1CCN(C)CCO 269982a_100000210263_100011713687 [0,1,0,0,0,0|3,0,0]=4 2314 B15R1.768 COc1ccccc1CCN(C)CCO 269982a_100000231131_100000211926 [0,1,0,0,0,0|3,0,0]=4 2315 B15R1.768 COc1ccccc1CCN(C)CCO 270004a_100000210263_100011713418 [0,1,0,0,0,0|3,0,0]=4 2316 B15R1.768 COc1ccccc1CNC(C)CCO 34a_100000188900_100009893172 [0,1,0,0,0,0|3,0,0]=4 2317 B15R1.768 COc1ccccc1CN[C@H](C)CCO 207a_100000706166_100000169842 [0,1,0,0,0,0|3,0,0]=4 2318 B15R1.768 COc1ccccc1CN[C@H](C)CCO 2230a_100000706166_100000210004 [0,1,0,0,0,0|3,0,0]=4 2319 B15R1.768 COc1ccccc1CN[C@H](C)CCO 270004a_100000706166_100000169842 [0,1,0,0,0,0|3,0,0]=4 2320 B15R1.768 COc1ccccc1CN[C@H](C)CCO 34a_100000706166_100000210004 [0,1,0,0,0,0|3,0,0]=4 2321 B15R1.768 COc1ccccc1COC(C)CCO 34a_100000211301_100009893172 [0,1,0,0,0,0|3,0,0]=4 2322 B15R1.768 COc1ccccc1CSC(C)CCO 62a_100000210004_100009893172 [0,1,0,0,0,0|3,0,0]=4 2323 B15R1.768 COc1ccccc1CSC(C)CCO 62a_100009893172_100000210004 [0,1,0,0,0,0|3,0,0]=4 2324 B15R1.768 COc1ccccc1NCC(=O)NCO 34a_100000210025_100000185155 [0,1,0,0,0,0|1,0,2]=4 2325 B15R1.768 COc1ccccc1OCC(=O)CC#N 1458a_100000182946_100011214920 [0,1,0,0,0,0|1,0,2]=4 2326 B15R1.768 COc1ccccc1OCC(=O)CCF 1458a_100000182946_100011217306 [0,1,0,0,0,0|1,0,2]=4 2327 B15R1.768 COc1ccccc1OCC(=O)CCO 1458a_100000182946_100000211926 [0,1,0,0,0,0|0,0,2]=3 2328 B15R1.768 COc1ccccc1OCC(=O)NCO 34a_100000210385_100000185155 [0,1,0,0,0,0|0,0,2]=3 2329 B15R1.768 COc1ccccc1OCC(C)OCF 34a_100000242603_100015361967 [0,1,0,0,0,0|2,0,0]=3 2330 B15R1.768 COc1ccccc1OCC(C)OCF 7a_100000242603_100015361967 [0,1,0,0,0,0|2,0,0]=3 2331 B15R1.768 COc1ccccc1SCC(=O)NCO 62a_100000185155_100000210334 [0,1,0,0,0,0|0,1,2]=4 2332 B15R1.768 COc1ccccc1SCC(=O)NCO 62a_100000210334_100000185155 [0,1,0,0,0,0|0,1,2]=4 2333 B15R1.768 COc1ccccc1SC[C@@H](O)CC#N 62a_100000001066_100000210334 [0,1,0,0,0,0|1,1,0]=3 2334 B15R1.768 COc1ccccc1SC[C@@H](O)CC#N 62a_100000210334_100000001066 [0,1,0,0,0,0|1,1,0]=3 2335 B15R1.768 COc1cccnc1OCC(=O)NCO 34a_100025773188_100000185155 [0,1,0,0,0,0|1,0,2]=4 2336 B15R1.768 COc1cccnc1SC[C@@H](O)CC#N 62a_100000001066_100000690851 [0,1,0,0,0,0|2,1,0]=4 2337 B15R1.768 COc1cccnc1SC[C@@H](O)CC#N 62a_100000767102_100000001066 [0,1,0,0,0,0|2,1,0]=4 2338 B15R1.768 COc1ccncc1OCC(=O)NCO 34a_100000101186_100000185155 [0,1,0,0,0,0|1,0,2]=4 2339 B15R1.768 COc1ccncc1SC[C@@H](O)CC#N 62a_100000001066_100011997281 [0,1,0,0,0,0|2,1,0]=4 2340 B15R1.768 COc1ccncc1SC[C@@H](O)CC#N 62a_100011997281_100000001066 [0,1,0,0,0,0|2,1,0]=4 2341 B15R1.768 COc1cnccc1SC[C@@H](O)CC#N 62a_100000001066_100016988167 [0,1,0,0,0,0|2,1,0]=4 2342 B15R1.768 COc1cnccc1SC[C@@H](O)CC#N 62a_100016988167_100000001066 [0,1,0,0,0,0|2,1,0]=4 2343 B15R1.768 COc1ncccc1OCC(=O)NCO 34a_100000698397_100000185155 [0,1,0,0,0,0|1,0,2]=4 2344 B15R1.768 COc1ncccc1OCC(=O)NCO 7a_100000698397_100000185155 [0,1,0,0,0,0|1,0,2]=4 2345 B15R1.768 COc1ncccc1OC[C@@H](O)CC#N 7a_100000698397_100000001066 [0,1,0,0,0,0|2,0,0]=3 2346 B15R1.768 COc1ncccc1SC[C@@H](O)CC#N 62a_100000001066_100000047025 [0,1,0,0,0,0|2,1,0]=4 2347 B15R1.768 COc1ncccc1SC[C@@H](O)CC#N 62a_100000047025_100000001066 [0,1,0,0,0,0|2,1,0]=4 2348 B15R1.768 CSc1ccccc1OCC(=O)NCO 34a_100011216402_100000185155 [0,1,0,0,0,0|0,1,2]=4 2349 B15R1.768 CSc1ccccc1SC[C@@H](O)CC#N 62a_100000001066_100011217816 [0,1,0,0,0,0|1,2,0]=4 2350 B15R1.768 CSc1ccccc1SC[C@@H](O)CC#N 62a_100011217816_100000001066 [0,1,0,0,0,0|1,2,0]=4 2351 B15R1.768 N#CC[C@H](O)COc1ccccc1C#N 7a_100000211048_100000001066 [0,1,0,0,0,0|3,0,0]=4 2352 B15R1.1108 C=C(C)c1ccccc1NCC(O)CC 34a_100000037685_100011218378 [0,1,0,0,0,0|3,0,0]=4 2353 B15R1.1108 C=C(C)c1ccccc1NCC(O)CO 34a_100000037685_100011219619 [0,1,0,0,0,0|2,0,0]=3 2354 B15R1.1108 C=C(C)c1ccccc1NC[C@@H](C)CO 34a_100000037685_100000059175 [0,1,0,0,0,0|3,0,0]=4 2355 B15R1.1108 C=C(C)c1ccccc1NC[C@@H](O)CF 34a_100000037685_100015614560 [0,1,0,0,0,0|3,0,0]=4 2356 B15R1.1108 C=C(C)c1ccccc1NC[C@@H](O)CO 34a_100000037685_100009815848 [0,1,0,0,0,0|2,0,0]=3 2357 B15R1.1108 C=CC(O)COc1ccccc1C(C)C 34a_100000211617_100000730141 [0,1,0,0,0,0|2,0,1]=4 2358 B15R1.1108 C=CC(O)COc1ccccc1C(C)C 7a_100000211617_100000730141 [0,1,0,0,0,0|2,0,1]=4 2359 B15R1.1108 C=CC(O)COc1ccccc1C(C)O 34a_200011232679_100000730141 [0,1,0,0,0,0|2,0,1]=4 2360 B15R1.1108 C=CC(O)COc1ccccc1C(C)O 7a_200011232679_100000730141 [0,1,0,0,0,0|2,0,1]=4 2361 B15R1.1108 C=CC(O)COc1ccccc1[C@@H](C)N 34a_100025703389_100000730141 [0,1,0,0,0,0|2,0,1]=4 2362 B15R1.1108 CC(=O)c1ccccc1SCC(O)CO 62a_100000751169_100011219619 [0,1,0,0,0,0|1,1,0]=3 2363 B15R1.1108 CC(=O)c1ccccc1SC[C@@H](C)CO 62a_100000751169_100000059175 [0,1,0,0,0,0|2,1,0]=4 2364 B15R1.1108 CC(=O)c1ccccc1SC[C@@H](O)CF 62a_100000751169_100015614560 [0,1,0,0,0,0|2,1,0]=4 2365 B15R1.1108 CC(=O)c1ccccc1SC[C@@H](O)CO 62a_100000751169_100009815848 [0,1,0,0,0,0|1,1,0]=3 2366 B15R1.1108 CC(=O)c1cccnc1NC[C@H](O)CO 27a_100020644852_100009816689 [0,1,0,0,0,0|3,0,0]=4 2367 B15R1.1108 CC(=O)c1cccnc1SCC(O)CO 62a_100000753718_100011219619 [0,1,0,0,0,0|2,1,0]=4 2368 B15R1.1108 CC(=O)c1cccnc1SCC(O)CO 62a_100011219619_100000753718 [0,1,0,0,0,0|2,1,0]=4 2369 B15R1.1108 CC(=O)c1cccnc1SC[C@@H](O)CO 62a_100000753718_100009815848 [0,1,0,0,0,0|2,1,0]=4 2370 B15R1.1108 CC(=O)c1cccnc1SC[C@@H](O)CO 62a_100009815848_100000753718 [0,1,0,0,0,0|2,1,0]=4 2371 B15R1.1108 CC(=O)c1ccncc1OCC(O)CO 7a_100009872882_100011219619 [0,1,0,0,0,0|2,0,0]=3 2372 B15R1.1108 CC(=O)c1ccncc1OC[C@@H](C)CO 7a_100009872882_100000059175 [0,1,0,0,0,0|3,0,0]=4 2373 B15R1.1108 CC(=O)c1ccncc1OC[C@@H](O)CF 7a_100009872882_100015614560 [0,1,0,0,0,0|3,0,0]=4 2374 B15R1.1108 CC(=O)c1ccncc1OC[C@@H](O)CO 7a_100009872882_100009815848 [0,1,0,0,0,0|2,0,0]=3 2375 B15R1.1108 CC(=O)c1ccncc1SCC(O)CO 62a_100009993184_100011219619 [0,1,0,0,0,0|2,1,0]=4 2376 B15R1.1108 CC(=O)c1ccncc1SCC(O)CO 62a_100011219619_100009993184 [0,1,0,0,0,0|2,1,0]=4 2377 B15R1.1108 CC(=O)c1ccncc1SC[C@@H](O)CO 62a_100009815848_100009993184 [0,1,0,0,0,0|2,1,0]=4 2378 B15R1.1108 CC(=O)c1ccncc1SC[C@@H](O)CO 62a_100009993184_100009815848 [0,1,0,0,0,0|2,1,0]=4 2379 B15R1.1108 CC(=O)c1cnccc1NC[C@H](O)CO 27a_100020644852_100160469449 [0,1,0,0,0,0|3,0,0]=4 2380 B15R1.1108 CC(=O)c1cnccc1SCC(O)CO 62a_100011219619_100160469449 [0,1,0,0,0,0|2,1,0]=4 2381 B15R1.1108 CC(=O)c1cnccc1SCC(O)CO 62a_100160469449_100011219619 [0,1,0,0,0,0|2,1,0]=4 2382 B15R1.1108 CC(=O)c1cnccc1SC[C@@H](O)CO 62a_100009815848_100160469449 [0,1,0,0,0,0|2,1,0]=4 2383 B15R1.1108 CC(=O)c1cnccc1SC[C@@H](O)CO 62a_100160469449_100009815848 [0,1,0,0,0,0|2,1,0]=4 2384 B15R1.1108 CC(=O)c1ncccc1OCC(O)CO 34a_100000087166_100011219619 [0,1,0,0,0,0|2,0,0]=3 2385 B15R1.1108 CC(=O)c1ncccc1OCC(O)CO 7a_100000087166_100011219619 [0,1,0,0,0,0|2,0,0]=3 2386 B15R1.1108 CC(=O)c1ncccc1OC[C@@H](C)CO 34a_100000087166_100000059175 [0,1,0,0,0,0|3,0,0]=4 2387 B15R1.1108 CC(=O)c1ncccc1OC[C@@H](C)CO 7a_100000087166_100000059175 [0,1,0,0,0,0|3,0,0]=4 2388 B15R1.1108 CC(=O)c1ncccc1OC[C@@H](O)CF 34a_100000087166_100015614560 [0,1,0,0,0,0|3,0,0]=4 2389 B15R1.1108 CC(=O)c1ncccc1OC[C@@H](O)CF 7a_100000087166_100015614560 [0,1,0,0,0,0|3,0,0]=4 2390 B15R1.1108 CC(=O)c1ncccc1OC[C@@H](O)CO 34a_100000087166_100009815848 [0,1,0,0,0,0|2,0,0]=3 2391 B15R1.1108 CC(=O)c1ncccc1OC[C@@H](O)CO 7a_100000087166_100009815848 [0,1,0,0,0,0|2,0,0]=3 2392 B15R1.1108 CC(=O)c1ncccc1SCC(O)CO 62a_100011219619_100012348690 [0,1,0,0,0,0|2,1,0]=4 2393 B15R1.1108 CC(=O)c1ncccc1SCC(O)CO 62a_100012348690_100011219619 [0,1,0,0,0,0|2,1,0]=4 2394 B15R1.1108 CC(=O)c1ncccc1SC[C@@H](O)CO 62a_100009815848_100012348690 [0,1,0,0,0,0|2,1,0]=4 2395 B15R1.1108 CC(=O)c1ncccc1SC[C@@H](O)CO 62a_100012348690_100009815848 [0,1,0,0,0,0|2,1,0]=4 2396 B15R1.1108 CC(C)c1ccccc1NCC(O)CO 2230a_100000210643_100011219619 [0,1,0,0,0,0|2,0,0]=3 2397 B15R1.1108 CC(C)c1ccccc1NCC(O)CO 34a_100000210643_100011219619 [0,1,0,0,0,0|2,0,0]=3 2398 B15R1.1108 CC(C)c1ccccc1NCC(O)CO 7a_100000210643_100011219619 [0,1,0,0,0,0|2,0,0]=3 2399 B15R1.1108 CC(C)c1ccccc1NC[C@@H](C)CO 2230a_100000210643_100000059175 [0,1,0,0,0,0|3,0,0]=4 2400 B15R1.1108 CC(C)c1ccccc1NC[C@@H](C)CO 34a_100000210643_100000059175 [0,1,0,0,0,0|3,0,0]=4 2401 B15R1.1108 CC(C)c1ccccc1NC[C@@H](C)CO 7a_100000210643_100000059175 [0,1,0,0,0,0|3,0,0]=4 2402 B15R1.1108 CC(C)c1ccccc1NC[C@@H](O)CF 2230a_100000210643_100015614560 [0,1,0,0,0,0|3,0,0]=4 2403 B15R1.1108 CC(C)c1ccccc1NC[C@@H](O)CF 34a_100000210643_100015614560 [0,1,0,0,0,0|3,0,0]=4 2404 B15R1.1108 CC(C)c1ccccc1NC[C@@H](O)CF 7a_100000210643_100015614560 [0,1,0,0,0,0|3,0,0]=4 2405 B15R1.1108 CC(C)c1ccccc1NC[C@@H](O)CO 2230a_100000210643_100009815848 [0,1,0,0,0,0|2,0,0]=3 2406 B15R1.1108 CC(C)c1ccccc1NC[C@@H](O)CO 34a_100000210643_100009815848 [0,1,0,0,0,0|2,0,0]=3 2407 B15R1.1108 CC(C)c1ccccc1NC[C@@H](O)CO 7a_100000210643_100009815848 [0,1,0,0,0,0|2,0,0]=3 2408 B15R1.1108 CC(C)c1ccccc1OCC(O)CO 34a_100000211617_100011219619 [0,1,0,0,0,0|1,0,0]=2 2409 B15R1.1108 CC(C)c1ccccc1OCC(O)CO 7a_100000211617_100011219619 [0,1,0,0,0,0|1,0,0]=2 2410 B15R1.1108 CC(C)c1ccccc1OC[C@@H](C)CO 34a_100000211617_100000059175 [0,1,0,0,0,0|2,0,0]=3 2411 B15R1.1108 CC(C)c1ccccc1OC[C@@H](C)CO 7a_100000211617_100000059175 [0,1,0,0,0,0|2,0,0]=3 2412 B15R1.1108 CC(C)c1ccccc1OC[C@@H](O)CF 34a_100000211617_100015614560 [0,1,0,0,0,0|2,0,0]=3 2413 B15R1.1108 CC(C)c1ccccc1OC[C@@H](O)CF 7a_100000211617_100015614560 [0,1,0,0,0,0|2,0,0]=3 2414 B15R1.1108 CC(C)c1ccccc1OC[C@@H](O)CO 34a_100000211617_100009815848 [0,1,0,0,0,0|1,0,0]=2 2415 B15R1.1108 CC(C)c1ccccc1OC[C@@H](O)CO 7a_100000211617_100009815848 [0,1,0,0,0,0|1,0,0]=2 2416 B15R1.1108 CC(C)c1ccccc1SCC(O)CO 62a_100000708600_100011219619 [0,1,0,0,0,0|1,1,0]=3 2417 B15R1.1108 CC(C)c1ccccc1SCC(O)CO 62a_100011219619_100000708600 [0,1,0,0,0,0|1,1,0]=3 2418 B15R1.1108 CC(C)c1ccccc1SC[C@@H](C)CO 62a_100000059175_100000708600 [0,1,0,0,0,0|2,1,0]=4 2419 B15R1.1108 CC(C)c1ccccc1SC[C@@H](C)CO 62a_100000708600_100000059175 [0,1,0,0,0,0|2,1,0]=4 2420 B15R1.1108 CC(C)c1ccccc1SC[C@@H](O)CF 62a_100000708600_100015614560 [0,1,0,0,0,0|2,1,0]=4 2421 B15R1.1108 CC(C)c1ccccc1SC[C@@H](O)CF 62a_100015614560_100000708600 [0,1,0,0,0,0|2,1,0]=4 2422 B15R1.1108 CC(C)c1ccccc1SC[C@@H](O)CO 62a_100000708600_100009815848 [0,1,0,0,0,0|1,1,0]=3 2423 B15R1.1108 CC(C)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100000708600 [0,1,0,0,0,0|1,1,0]=3 2424 B15R1.1108 CC(C)c1cccnc1SCC(O)CO 62a_100011219619_200010382935 [0,1,0,0,0,0|2,1,0]=4 2425 B15R1.1108 CC(C)c1cccnc1SCC(O)CO 62a_200010382935_100011219619 [0,1,0,0,0,0|2,1,0]=4 2426 B15R1.1108 CC(C)c1cccnc1SC[C@@H](O)CO 62a_100009815848_200010382935 [0,1,0,0,0,0|2,1,0]=4 2427 B15R1.1108 CC(C)c1cccnc1SC[C@@H](O)CO 62a_200010382935_100009815848 [0,1,0,0,0,0|2,1,0]=4 2428 B15R1.1108 CC(C)c1ncccc1OCC(O)CO 34a_100012183336_100011219619 [0,1,0,0,0,0|2,0,0]=3 2429 B15R1.1108 CC(C)c1ncccc1OCC(O)CO 7a_100012183336_100011219619 [0,1,0,0,0,0|2,0,0]=3 2430 B15R1.1108 CC(C)c1ncccc1OC[C@@H](C)CO 34a_100012183336_100000059175 [0,1,0,0,0,0|3,0,0]=4 2431 B15R1.1108 CC(C)c1ncccc1OC[C@@H](C)CO 7a_100012183336_100000059175 [0,1,0,0,0,0|3,0,0]=4 2432 B15R1.1108 CC(C)c1ncccc1OC[C@@H](O)CF 34a_100012183336_100015614560 [0,1,0,0,0,0|3,0,0]=4 2433 B15R1.1108 CC(C)c1ncccc1OC[C@@H](O)CF 7a_100012183336_100015614560 [0,1,0,0,0,0|3,0,0]=4 2434 B15R1.1108 CC(C)c1ncccc1OC[C@@H](O)CO 34a_100012183336_100009815848 [0,1,0,0,0,0|2,0,0]=3 2435 B15R1.1108 CC(C)c1ncccc1OC[C@@H](O)CO 7a_100012183336_100009815848 [0,1,0,0,0,0|2,0,0]=3 2436 B15R1.1108 CC(N)c1ccccc1SCC(O)CO 62a_100000181357_100011219619 [0,1,0,0,0,0|1,1,0]=3 2437 B15R1.1108 CC(N)c1ccccc1SCC(O)CO 62a_100011219619_100000181357 [0,1,0,0,0,0|1,1,0]=3 2438 B15R1.1108 CC(N)c1ccccc1SC[C@@H](C)CO 62a_100000059175_100000181357 [0,1,0,0,0,0|2,1,0]=4 2439 B15R1.1108 CC(N)c1ccccc1SC[C@@H](C)CO 62a_100000181357_100000059175 [0,1,0,0,0,0|2,1,0]=4 2440 B15R1.1108 CC(N)c1ccccc1SC[C@@H](O)CF 62a_100000181357_100015614560 [0,1,0,0,0,0|2,1,0]=4 2441 B15R1.1108 CC(N)c1ccccc1SC[C@@H](O)CF 62a_100015614560_100000181357 [0,1,0,0,0,0|2,1,0]=4 2442 B15R1.1108 CC(N)c1ccccc1SC[C@@H](O)CO 62a_100000181357_100009815848 [0,1,0,0,0,0|1,1,0]=3 2443 B15R1.1108 CC(N)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100000181357 [0,1,0,0,0,0|1,1,0]=3 2444 B15R1.1108 CC(N)c1ncccc1SCC(O)CO 62a_100011219619_100159271932 [0,1,0,0,0,0|2,1,0]=4 2445 B15R1.1108 CC(N)c1ncccc1SCC(O)CO 62a_100159271932_100011219619 [0,1,0,0,0,0|2,1,0]=4 2446 B15R1.1108 CC(N)c1ncccc1SC[C@@H](O)CO 62a_100009815848_100159271932 [0,1,0,0,0,0|2,1,0]=4 2447 B15R1.1108 CC(N)c1ncccc1SC[C@@H](O)CO 62a_100159271932_100009815848 [0,1,0,0,0,0|2,1,0]=4 2448 B15R1.1108 CC(O)c1ccccc1NCC(O)CO 2230a_100011405641_100011219619 [0,1,0,0,0,0|2,0,0]=3 2449 B15R1.1108 CC(O)c1ccccc1NC[C@@H](C)CO 2230a_100011405641_100000059175 [0,1,0,0,0,0|3,0,0]=4 2450 B15R1.1108 CC(O)c1ccccc1NC[C@@H](O)CF 2230a_100011405641_100015614560 [0,1,0,0,0,0|3,0,0]=4 2451 B15R1.1108 CC(O)c1ccccc1NC[C@@H](O)CO 2230a_100011405641_100009815848 [0,1,0,0,0,0|2,0,0]=3 2452 B15R1.1108 CC(O)c1ccccc1OCC(O)CO 34a_200011232679_100011219619 [0,1,0,0,0,0|1,0,0]=2 2453 B15R1.1108 CC(O)c1ccccc1OCC(O)CO 7a_200011232679_100011219619 [0,1,0,0,0,0|1,0,0]=2 2454 B15R1.1108 CC(O)c1ccccc1OC[C@@H](C)CO 34a_200011232679_100000059175 [0,1,0,0,0,0|2,0,0]=3 2455 B15R1.1108 CC(O)c1ccccc1OC[C@@H](C)CO 7a_200011232679_100000059175 [0,1,0,0,0,0|2,0,0]=3 2456 B15R1.1108 CC(O)c1ccccc1OC[C@@H](O)CF 34a_200011232679_100015614560 [0,1,0,0,0,0|2,0,0]=3 2457 B15R1.1108 CC(O)c1ccccc1OC[C@@H](O)CF 7a_200011232679_100015614560 [0,1,0,0,0,0|2,0,0]=3 2458 B15R1.1108 CC(O)c1ccccc1OC[C@@H](O)CO 34a_200011232679_100009815848 [0,1,0,0,0,0|1,0,0]=2 2459 B15R1.1108 CC(O)c1ccccc1OC[C@@H](O)CO 7a_200011232679_100009815848 [0,1,0,0,0,0|1,0,0]=2 2460 B15R1.1108 CC(O)c1ccccc1SCC(O)CO 62a_100000702211_100011219619 [0,1,0,0,0,0|1,1,0]=3 2461 B15R1.1108 CC(O)c1ccccc1SCC(O)CO 62a_100011219619_100000702211 [0,1,0,0,0,0|1,1,0]=3 2462 B15R1.1108 CC(O)c1ccccc1SC[C@@H](C)CO 62a_100000059175_100000702211 [0,1,0,0,0,0|2,1,0]=4 2463 B15R1.1108 CC(O)c1ccccc1SC[C@@H](C)CO 62a_100000702211_100000059175 [0,1,0,0,0,0|2,1,0]=4 2464 B15R1.1108 CC(O)c1ccccc1SC[C@@H](O)CF 62a_100000702211_100015614560 [0,1,0,0,0,0|2,1,0]=4 2465 B15R1.1108 CC(O)c1ccccc1SC[C@@H](O)CF 62a_100015614560_100000702211 [0,1,0,0,0,0|2,1,0]=4 2466 B15R1.1108 CC(O)c1ccccc1SC[C@@H](O)CO 62a_100000702211_100009815848 [0,1,0,0,0,0|1,1,0]=3 2467 B15R1.1108 CC(O)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100000702211 [0,1,0,0,0,0|1,1,0]=3 2468 B15R1.1108 CC(O)c1cccnc1SCC(O)CO 62a_100009865335_100011219619 [0,1,0,0,0,0|2,1,0]=4 2469 B15R1.1108 CC(O)c1cccnc1SCC(O)CO 62a_100011219619_100009865335 [0,1,0,0,0,0|2,1,0]=4 2470 B15R1.1108 CC(O)c1cccnc1SC[C@@H](O)CO 62a_100009815848_100009865335 [0,1,0,0,0,0|2,1,0]=4 2471 B15R1.1108 CC(O)c1cccnc1SC[C@@H](O)CO 62a_100009865335_100009815848 [0,1,0,0,0,0|2,1,0]=4 2472 B15R1.1108 CCC(C)COc1ccccc1C(C)C 34a_100000211617_100000748023 [0,1,0,0,0,0|3,0,0]=4 2473 B15R1.1108 CCC(C)COc1ccccc1C(C)C 7a_100000211617_100000748023 [0,1,0,0,0,0|3,0,0]=4 2474 B15R1.1108 CCC(C)COc1ccccc1C(C)O 34a_200011232679_100000748023 [0,1,0,0,0,0|3,0,0]=4 2475 B15R1.1108 CCC(C)COc1ccccc1C(C)O 7a_200011232679_100000748023 [0,1,0,0,0,0|3,0,0]=4 2476 B15R1.1108 CCC(C)COc1ccccc1[C@@H](C)N 34a_100025703389_100000748023 [0,1,0,0,0,0|3,0,0]=4 2477 B15R1.1108 CCC(O)CNc1ccccc1C(C)C 2230a_100000210643_100011218378 [0,1,0,0,0,0|3,0,0]=4 2478 B15R1.1108 CCC(O)CNc1ccccc1C(C)C 34a_100000210643_100011218378 [0,1,0,0,0,0|3,0,0]=4 2479 B15R1.1108 CCC(O)CNc1ccccc1C(C)C 7a_100000210643_100011218378 [0,1,0,0,0,0|3,0,0]=4 2480 B15R1.1108 CCC(O)CNc1ccccc1C(C)O 2230a_100011405641_100011218378 [0,1,0,0,0,0|3,0,0]=4 2481 B15R1.1108 CCC(O)COc1ccccc1C(=O)N 34a_100000192804_100011218378 [0,1,0,0,0,0|3,0,0]=4 2482 B15R1.1108 CCC(O)COc1ccccc1C(=O)N 7a_100000192804_100011218378 [0,1,0,0,0,0|3,0,0]=4 2483 B15R1.1108 CCC(O)COc1ccccc1C(=O)[O-] 7a_100015234032_100011218378 [0,1,0,0,0,0|3,0,0]=4 2484 B15R1.1108 CCC(O)COc1ccccc1C(=S)N 7a_100000745089_100011218378 [0,1,0,0,0,0|3,0,0]=4 2485 B15R1.1108 CCC(O)COc1ccccc1C(C)C 34a_100000211617_100011218378 [0,1,0,0,0,0|2,0,0]=3 2486 B15R1.1108 CCC(O)COc1ccccc1C(C)C 7a_100000211617_100011218378 [0,1,0,0,0,0|2,0,0]=3 2487 B15R1.1108 CCC(O)COc1ccccc1C(C)O 34a_200011232679_100011218378 [0,1,0,0,0,0|2,0,0]=3 2488 B15R1.1108 CCC(O)COc1ccccc1C(C)O 7a_200011232679_100011218378 [0,1,0,0,0,0|2,0,0]=3 2489 B15R1.1108 CCC(O)COc1ccccc1[C@@H](C)N 34a_100025703389_100011218378 [0,1,0,0,0,0|2,0,0]=3 2490 B15R1.1108 CCC(O)COc1ccccc1[N+](=O)[O-] 34a_100000186319_100011218378 [0,1,0,0,0,0|3,0,0]=4 2491 B15R1.1108 CCC(O)COc1ccccc1[N+](=O)[O-] 7a_100000186319_100011218378 [0,1,0,0,0,0|3,0,0]=4 2492 B15R1.1108 CCC(O)COc1cccnc1C(=O)C 34a_100000087166_100011218378 [0,1,0,0,0,0|3,0,0]=4 2493 B15R1.1108 CCC(O)COc1cccnc1C(=O)C 7a_100000087166_100011218378 [0,1,0,0,0,0|3,0,0]=4 2494 B15R1.1108 CCC(O)COc1cccnc1C(C)C 34a_100012183336_100011218378 [0,1,0,0,0,0|3,0,0]=4 2495 B15R1.1108 CCC(O)COc1cccnc1C(C)C 7a_100012183336_100011218378 [0,1,0,0,0,0|3,0,0]=4 2496 B15R1.1108 CCC(O)COc1cnccc1C(=O)C 7a_100009872882_100011218378 [0,1,0,0,0,0|3,0,0]=4 2497 B15R1.1108 CCC(O)CSc1ccccc1C(=O)C 62a_100000751169_100011218378 [0,1,0,0,0,0|2,1,0]=4 2498 B15R1.1108 CCC(O)CSc1ccccc1C(C)C 62a_100000708600_100011218378 [0,1,0,0,0,0|2,1,0]=4 2499 B15R1.1108 CCC(O)CSc1ccccc1C(C)C 62a_100011218378_100000708600 [0,1,0,0,0,0|2,1,0]=4 2500 B15R1.1108 CCC(O)CSc1ccccc1C(C)N 62a_100000181357_100011218378 [0,1,0,0,0,0|2,1,0]=4 2501 B15R1.1108 CCC(O)CSc1ccccc1C(C)N 62a_100011218378_100000181357 [0,1,0,0,0,0|2,1,0]=4 2502 B15R1.1108 CCC(O)CSc1ccccc1C(C)O 62a_100000702211_100011218378 [0,1,0,0,0,0|2,1,0]=4 2503 B15R1.1108 CCC(O)CSc1ccccc1C(C)O 62a_100011218378_100000702211 [0,1,0,0,0,0|2,1,0]=4 2504 B15R1.1108 CCC(O)CSc1ccccc1N(C)C 62a_100011218378_100011290883 [0,1,0,0,0,0|2,1,0]=4 2505 B15R1.1108 CCC(O)CSc1ccccc1N(C)C 62a_100011290883_100011218378 [0,1,0,0,0,0|2,1,0]=4 2506 B15R1.1108 CCC(O)CSc1ccccc1S(=O)C 62a_100000734199_100011218378 [0,1,0,0,0,0|1,2,0]=4 2507 B15R1.1108 CC[C@H](C)COc1ccccc1C(C)C 34a_100000211617_100009816398 [0,1,0,0,0,0|3,0,0]=4 2508 B15R1.1108 CC[C@H](C)COc1ccccc1C(C)C 7a_100000211617_100009816398 [0,1,0,0,0,0|3,0,0]=4 2509 B15R1.1108 CC[C@H](C)COc1ccccc1C(C)O 34a_200011232679_100009816398 [0,1,0,0,0,0|3,0,0]=4 2510 B15R1.1108 CC[C@H](C)COc1ccccc1C(C)O 7a_200011232679_100009816398 [0,1,0,0,0,0|3,0,0]=4 2511 B15R1.1108 CC[C@H](C)COc1ccccc1[C@@H](C)N 34a_100025703389_100009816398 [0,1,0,0,0,0|3,0,0]=4 2512 B15R1.1108 CN(C)c1ccccc1SCC(O)CO 62a_100011219619_100011290883 [0,1,0,0,0,0|1,1,0]=3 2513 B15R1.1108 CN(C)c1ccccc1SCC(O)CO 62a_100011290883_100011219619 [0,1,0,0,0,0|1,1,0]=3 2514 B15R1.1108 CN(C)c1ccccc1SC[C@@H](O)CF 62a_100011290883_100015614560 [0,1,0,0,0,0|2,1,0]=4 2515 B15R1.1108 CN(C)c1ccccc1SC[C@@H](O)CF 62a_100015614560_100011290883 [0,1,0,0,0,0|2,1,0]=4 2516 B15R1.1108 CN(C)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100011290883 [0,1,0,0,0,0|1,1,0]=3 2517 B15R1.1108 CN(C)c1ccccc1SC[C@@H](O)CO 62a_100011290883_100009815848 [0,1,0,0,0,0|1,1,0]=3 2518 B15R1.1108 CN(C)c1ccncc1SCC(O)CO 62a_100011219619_100012355995 [0,1,0,0,0,0|2,1,0]=4 2519 B15R1.1108 CN(C)c1ccncc1SCC(O)CO 62a_100012355995_100011219619 [0,1,0,0,0,0|2,1,0]=4 2520 B15R1.1108 CN(C)c1ccncc1SC[C@@H](O)CO 62a_100009815848_100012355995 [0,1,0,0,0,0|2,1,0]=4 2521 B15R1.1108 CN(C)c1ccncc1SC[C@@H](O)CO 62a_100012355995_100009815848 [0,1,0,0,0,0|2,1,0]=4 2522 B15R1.1108 CN(C)c1ncccc1SCC(O)CO 62a_100011219619_100011465059 [0,1,0,0,0,0|2,1,0]=4 2523 B15R1.1108 CN(C)c1ncccc1SCC(O)CO 62a_100011465059_100011219619 [0,1,0,0,0,0|2,1,0]=4 2524 B15R1.1108 CN(C)c1ncccc1SC[C@@H](O)CO 62a_100009815848_100011465059 [0,1,0,0,0,0|2,1,0]=4 2525 B15R1.1108 CN(C)c1ncccc1SC[C@@H](O)CO 62a_100011465059_100009815848 [0,1,0,0,0,0|2,1,0]=4 2526 B15R1.1108 CS(=O)c1ccccc1SCC(O)CO 62a_100000734199_100011219619 [0,1,0,0,0,0|0,2,0]=3 2527 B15R1.1108 CS(=O)c1ccccc1SC[C@@H](O)CF 62a_100000734199_100015614560 [0,1,0,0,0,0|1,2,0]=4 2528 B15R1.1108 CS(=O)c1ccccc1SC[C@@H](O)CO 62a_100000734199_100009815848 [0,1,0,0,0,0|0,2,0]=3 2529 B15R1.1108 C[C@@H](CO)COc1ccccc1C(=O)N 34a_100000192804_100000059175 [0,1,0,0,0,0|3,0,0]=4 2530 B15R1.1108 C[C@@H](CO)COc1ccccc1C(=O)N 7a_100000192804_100000059175 [0,1,0,0,0,0|3,0,0]=4 2531 B15R1.1108 C[C@@H](CO)COc1ccccc1C(=O)[O-] 7a_100015234032_100000059175 [0,1,0,0,0,0|3,0,0]=4 2532 B15R1.1108 C[C@@H](CO)COc1ccccc1C(=S)N 7a_100000745089_100000059175 [0,1,0,0,0,0|3,0,0]=4 2533 B15R1.1108 C[C@@H](CO)COc1ccccc1[C@@H](C)N 34a_100025703389_100000059175 [0,1,0,0,0,0|2,0,0]=3 2534 B15R1.1108 C[C@@H](CO)COc1ccccc1[N+](=O)[O-] 34a_100000186319_100000059175 [0,1,0,0,0,0|3,0,0]=4 2535 B15R1.1108 C[C@@H](CO)COc1ccccc1[N+](=O)[O-] 7a_100000186319_100000059175 [0,1,0,0,0,0|3,0,0]=4 2536 B15R1.1108 C[C@@H](CO)CSc1ccccc1N(C)C 62a_100000059175_100011290883 [0,1,0,0,0,0|2,1,0]=4 2537 B15R1.1108 C[C@@H](CO)CSc1ccccc1N(C)C 62a_100011290883_100000059175 [0,1,0,0,0,0|2,1,0]=4 2538 B15R1.1108 C[C@@H](CO)CSc1ccccc1S(=O)C 62a_100000734199_100000059175 [0,1,0,0,0,0|1,2,0]=4 2539 B15R1.1108 C[C@@H](N)c1ccccc1OCC(O)CO 34a_100025703389_100011219619 [0,1,0,0,0,0|1,0,0]=2 2540 B15R1.1108 C[C@@H](N)c1ccccc1OC[C@@H](O)CF 34a_100025703389_100015614560 [0,1,0,0,0,0|2,0,0]=3 2541 B15R1.1108 C[C@@H](N)c1ccccc1OC[C@@H](O)CO 34a_100025703389_100009815848 [0,1,0,0,0,0|1,0,0]=2 2542 B15R1.1108 C[C@H](O)c1ncccc1SCC(O)CO 62a_100011219619_100013325542 [0,1,0,0,0,0|2,1,0]=4 2543 B15R1.1108 C[C@H](O)c1ncccc1SCC(O)CO 62a_100013325542_100011219619 [0,1,0,0,0,0|2,1,0]=4 2544 B15R1.1108 C[C@H](O)c1ncccc1SC[C@@H](O)CO 62a_100009815848_100013325542 [0,1,0,0,0,0|2,1,0]=4 2545 B15R1.1108 C[C@H](O)c1ncccc1SC[C@@H](O)CO 62a_100013325542_100009815848 [0,1,0,0,0,0|2,1,0]=4 2546 B15R1.1108 NC(=O)c1ccccc1NCC(O)CO 34a_100000185089_100011219619 [0,1,0,0,0,0|3,0,0]=4 2547 B15R1.1108 NC(=O)c1ccccc1NC[C@@H](O)CO 34a_100000185089_100009815848 [0,1,0,0,0,0|3,0,0]=4 2548 B15R1.1108 NC(=O)c1ccccc1OCC(O)CO 34a_100000192804_100011219619 [0,1,0,0,0,0|2,0,0]=3 2549 B15R1.1108 NC(=O)c1ccccc1OCC(O)CO 7a_100000192804_100011219619 [0,1,0,0,0,0|2,0,0]=3 2550 B15R1.1108 NC(=O)c1ccccc1OC[C@@H](O)CF 34a_100000192804_100015614560 [0,1,0,0,0,0|3,0,0]=4 2551 B15R1.1108 NC(=O)c1ccccc1OC[C@@H](O)CF 7a_100000192804_100015614560 [0,1,0,0,0,0|3,0,0]=4 2552 B15R1.1108 NC(=O)c1ccccc1OC[C@@H](O)CO 34a_100000192804_100009815848 [0,1,0,0,0,0|2,0,0]=3 2553 B15R1.1108 NC(=O)c1ccccc1OC[C@@H](O)CO 7a_100000192804_100009815848 [0,1,0,0,0,0|2,0,0]=3 2554 B15R1.1108 NC(=O)c1ccccc1SCC(O)CO 62a_100000162227_100011219619 [0,1,0,0,0,0|2,1,0]=4 2555 B15R1.1108 NC(=O)c1ccccc1SCC(O)CO 62a_100011219619_100000162227 [0,1,0,0,0,0|2,1,0]=4 2556 B15R1.1108 NC(=O)c1ccccc1SC[C@@H](O)CO 62a_100000162227_100009815848 [0,1,0,0,0,0|2,1,0]=4 2557 B15R1.1108 NC(=O)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100000162227 [0,1,0,0,0,0|2,1,0]=4 2558 B15R1.1108 NC(=O)c1ccncc1OCC(O)CO 7a_100012022987_100011219619 [0,1,0,0,0,0|3,0,0]=4 2559 B15R1.1108 NC(=O)c1ccncc1OC[C@@H](O)CO 7a_100012022987_100009815848 [0,1,0,0,0,0|3,0,0]=4 2560 B15R1.1108 NC(=O)c1cnccc1OCC(O)CO 34a_200011998761_100011219619 [0,1,0,0,0,0|3,0,0]=4 2561 B15R1.1108 NC(=O)c1cnccc1OC[C@@H](O)CO 34a_200011998761_100009815848 [0,1,0,0,0,0|3,0,0]=4 2562 B15R1.1108 NC(=O)c1ncccc1OCC(O)CO 34a_200011215183_100011219619 [0,1,0,0,0,0|3,0,0]=4 2563 B15R1.1108 NC(=O)c1ncccc1OCC(O)CO 7a_200011215183_100011219619 [0,1,0,0,0,0|3,0,0]=4 2564 B15R1.1108 NC(=O)c1ncccc1OC[C@@H](O)CO 34a_200011215183_100009815848 [0,1,0,0,0,0|3,0,0]=4 2565 B15R1.1108 NC(=O)c1ncccc1OC[C@@H](O)CO 7a_200011215183_100009815848 [0,1,0,0,0,0|3,0,0]=4 2566 B15R1.1108 NC(=S)c1ccccc1OCC(O)CO 7a_100000745089_100011219619 [0,1,0,0,0,0|2,0,0]=3 2567 B15R1.1108 NC(=S)c1ccccc1OC[C@@H](O)CF 7a_100000745089_100015614560 [0,1,0,0,0,0|3,0,0]=4 2568 B15R1.1108 NC(=S)c1ccccc1OC[C@@H](O)CO 7a_100000745089_100009815848 [0,1,0,0,0,0|2,0,0]=3 2569 B15R1.1108 O=C(O)c1ccccc1SCC(O)CO 62a_100011219619_100000734275 [0,1,0,0,0,0|2,1,0]=4 2570 B15R1.1108 O=C(O)c1ccccc1SCC(O)CO 62a_202125556159_100011219619 [0,1,0,0,0,0|2,1,0]=4 2571 B15R1.1108 O=C(O)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100000734275 [0,1,0,0,0,0|2,1,0]=4 2572 B15R1.1108 O=C(O)c1ccccc1SC[C@@H](O)CO 62a_202125556159_100009815848 [0,1,0,0,0,0|2,1,0]=4 2573 B15R1.1108 O=C([O-])c1ccccc1OCC(O)CO 7a_100015234032_100011219619 [0,1,0,0,0,0|2,0,0]=3 2574 B15R1.1108 O=C([O-])c1ccccc1OC[C@@H](O)CF 7a_100015234032_100015614560 [0,1,0,0,0,0|3,0,0]=4 2575 B15R1.1108 O=C([O-])c1ccccc1OC[C@@H](O)CO 7a_100015234032_100009815848 [0,1,0,0,0,0|2,0,0]=3 2576 B15R1.1108 O=[N+]([O-])c1ccccc1OCC(O)CO 34a_100000186319_100011219619 [0,1,0,0,0,0|2,0,0]=3 2577 B15R1.1108 O=[N+]([O-])c1ccccc1OCC(O)CO 7a_100000186319_100011219619 [0,1,0,0,0,0|2,0,0]=3 2578 B15R1.1108 O=[N+]([O-])c1ccccc1OC[C@@H](O)CF 34a_100000186319_100015614560 [0,1,0,0,0,0|3,0,0]=4 2579 B15R1.1108 O=[N+]([O-])c1ccccc1OC[C@@H](O)CF 7a_100000186319_100015614560 [0,1,0,0,0,0|3,0,0]=4 2580 B15R1.1108 O=[N+]([O-])c1ccccc1OC[C@@H](O)CO 34a_100000186319_100009815848 [0,1,0,0,0,0|2,0,0]=3 2581 B15R1.1108 O=[N+]([O-])c1ccccc1OC[C@@H](O)CO 7a_100000186319_100009815848 [0,1,0,0,0,0|2,0,0]=3 2582 B15R1.1108 O=[N+]([O-])c1ncccc1OCC(O)CO 7a_100000183951_100011219619 [0,1,0,0,0,0|3,0,0]=4 2583 B15R1.1108 O=[N+]([O-])c1ncccc1OC[C@@H](O)CO 7a_100000183951_100009815848 [0,1,0,0,0,0|3,0,0]=4 2584 B15R1.1108 OCC(O)CNc1ccccc1C(F)F 2230a_100000734540_100011219619 [0,1,0,0,0,0|3,0,0]=4 2585 B15R1.1108 OCC(O)CNc1ccccc1C(F)F 34a_100000734540_100011219619 [0,1,0,0,0,0|3,0,0]=4 2586 B15R1.1108 OCC(O)CNc1ccccc1C(F)F 7a_100000734540_100011219619 [0,1,0,0,0,0|3,0,0]=4 2587 B15R1.1108 OCC(O)COc1cnccc1C(F)F 34a_100010834524_100011219619 [0,1,0,0,0,0|3,0,0]=4 2588 B15R1.1108 OCC(O)COc1cnccc1C(F)F 7a_100010834524_100011219619 [0,1,0,0,0,0|3,0,0]=4 2589 B15R1.1108 OCC(O)CSc1ccccc1B(O)O 62a_100000693059_100011219619 [0,1,0,0,0,0|2,1,0]=4 2590 B15R1.1108 OCC(O)CSc1ccccc1B(O)O 62a_100011219619_100000693059 [0,1,0,0,0,0|2,1,0]=4 2591 B15R1.1108 OCC(O)CSc1ccccc1C(F)F 62a_100010169824_100011219619 [0,1,0,0,0,0|2,1,0]=4 2592 B15R1.1108 OCC(O)CSc1ccccc1C(F)F 62a_100011219619_100010169824 [0,1,0,0,0,0|2,1,0]=4 2593 B15R1.1108 OC[C@H](O)CNc1ccccc1C(F)F 2230a_100000734540_100009815848 [0,1,0,0,0,0|3,0,0]=4 2594 B15R1.1108 OC[C@H](O)CNc1ccccc1C(F)F 34a_100000734540_100009815848 [0,1,0,0,0,0|3,0,0]=4 2595 B15R1.1108 OC[C@H](O)CNc1ccccc1C(F)F 7a_100000734540_100009815848 [0,1,0,0,0,0|3,0,0]=4 2596 B15R1.1108 OC[C@H](O)COc1cnccc1C(F)F 34a_100010834524_100009815848 [0,1,0,0,0,0|3,0,0]=4 2597 B15R1.1108 OC[C@H](O)COc1cnccc1C(F)F 7a_100010834524_100009815848 [0,1,0,0,0,0|3,0,0]=4 2598 B15R1.1108 OC[C@H](O)CSc1ccccc1B(O)O 62a_100000693059_100009815848 [0,1,0,0,0,0|2,1,0]=4 2599 B15R1.1108 OC[C@H](O)CSc1ccccc1B(O)O 62a_100009815848_100000693059 [0,1,0,0,0,0|2,1,0]=4 2600 B15R1.1108 OC[C@H](O)CSc1ccccc1C(F)F 62a_100009815848_100010169824 [0,1,0,0,0,0|2,1,0]=4 2601 B15R1.1108 OC[C@H](O)CSc1ccccc1C(F)F 62a_100010169824_100009815848 [0,1,0,0,0,0|2,1,0]=4 2602 B15R1.1146 C=C[C@@H](CO)NCc1ccccc1OC 2230a_100016989147_100000210004 [0,1,0,0,0,0|3,0,0]=4 2603 B15R1.1146 C=C[C@@H](CO)NCc1ccccc1OC 270004a_100016989147_100000169842 [0,1,0,0,0,0|3,0,0]=4 2604 B15R1.1146 C=C[C@@H](CO)NCc1ccccc1OC 34a_100016989147_100000210004 [0,1,0,0,0,0|3,0,0]=4 2605 B15R1.1146 CCC(CC)CNc1ccccc1OC 34a_100000210025_100011215472 [0,1,0,0,0,0|3,0,0]=4 2606 B15R1.1146 CCC(CC)COc1ccccc1NC 34a_100000033821_100011215472 [0,1,0,0,0,0|3,0,0]=4 2607 B15R1.1146 CCC(CC)COc1ccccc1OC 34a_100000210385_100011215472 [0,1,0,0,0,0|2,0,0]=3 2608 B15R1.1146 CCC(CC)COc1ccccc1SC 34a_100011216402_100011215472 [0,1,0,0,0,0|2,1,0]=4 2609 B15R1.1146 CCC(CC)COc1cccnc1OC 34a_100000698397_100011215472 [0,1,0,0,0,0|3,0,0]=4 2610 B15R1.1146 CCC(CC)COc1cccnc1OC 7a_100000698397_100011215472 [0,1,0,0,0,0|3,0,0]=4 2611 B15R1.1146 CCC(CC)COc1cnccc1OC 34a_100000101186_100011215472 [0,1,0,0,0,0|3,0,0]=4 2612 B15R1.1146 CCC(CC)COc1ncccc1OC 34a_100025773188_100011215472 [0,1,0,0,0,0|3,0,0]=4 2613 B15R1.1146 CCC(CC)CSc1ccccc1OC 62a_100000210334_100011215472 [0,1,0,0,0,0|2,1,0]=4 2614 B15R1.1146 CCC(CC)CSc1ccccc1OC 62a_100011215472_100000210334 [0,1,0,0,0,0|2,1,0]=4 2615 B15R1.1146 CC[C@@H](CO)NCc1ccccc1OC 207a_100000709445_100000169842 [0,1,0,0,0,0|3,0,0]=4 2616 B15R1.1146 CC[C@@H](CO)NCc1ccccc1OC 2230a_100000709445_100000210004 [0,1,0,0,0,0|3,0,0]=4 2617 B15R1.1146 CC[C@@H](CO)NCc1ccccc1OC 270004a_100000709445_100000169842 [0,1,0,0,0,0|3,0,0]=4 2618 B15R1.1146 CCc1ccccc1CNC(CO)CO 207a_100000759517_100011219594 [0,1,0,0,0,0|3,0,0]=4 2619 B15R1.1146 CCc1ccccc1OCC(CC)CC 34a_100000210936_100011215472 [0,1,0,0,0,0|3,0,0]=4 2620 B15R1.1146 CCc1ccccc1OCC(CC)CC 7a_100000210936_100011215472 [0,1,0,0,0,0|3,0,0]=4 2621 B15R1.1146 CCc1ccccc1OCC(OC)OC 34a_100000210936_100000211822 [0,1,0,0,0,0|3,0,0]=4 2622 B15R1.1146 CCc1ccccc1OCC(OC)OC 7a_100000210936_100000751394 [0,1,0,0,0,0|3,0,0]=4 2623 B15R1.1146 CNc1ccccc1OCC(OC)OC 34a_100000033821_100000211822 [0,1,0,0,0,0|3,0,0]=4 2624 B15R1.1146 COC(COc1ccccc1SC)OC 34a_100011216402_100000211822 [0,1,0,0,0,0|2,1,0]=4 2625 B15R1.1146 COc1ccccc1CNC(CO)CO 207a_100000759517_100000169842 [0,1,0,0,0,0|2,0,0]=3 2626 B15R1.1146 COc1ccccc1CNC(CO)CO 2230a_100000759517_100000210004 [0,1,0,0,0,0|2,0,0]=3 2627 B15R1.1146 COc1ccccc1NCC(OC)OC 34a_100000210025_100000211822 [0,1,0,0,0,0|3,0,0]=4 2628 B15R1.1146 COc1ccccc1NN=C(CO)CO 4a_100000751209_100000036256 [0,1,0,0,0,0|2,0,1]=4 2629 B15R1.1146 COc1ccccc1OCC(OC)OC 34a_100000210385_100000211822 [0,1,0,0,0,0|2,0,0]=3 2630 B15R1.1146 COc1ccccc1SCC(OC)OC 62a_100000210334_100000751394 [0,1,0,0,0,0|2,1,0]=4 2631 B15R1.1146 COc1ccccc1SCC(OC)OC 62a_100000751394_100000210334 [0,1,0,0,0,0|2,1,0]=4 2632 B15R1.1146 COc1cccnc1CNC(CO)CO 207a_100000759517_100011912573 [0,1,0,0,0,0|3,0,0]=4 2633 B15R1.1146 COc1cccnc1OCC(OC)OC 34a_100025773188_100000211822 [0,1,0,0,0,0|3,0,0]=4 2634 B15R1.1146 COc1ccncc1CNC(CO)CO 207a_100000759517_200011997045 [0,1,0,0,0,0|3,0,0]=4 2635 B15R1.1146 COc1ccncc1OCC(OC)OC 34a_100000101186_100000211822 [0,1,0,0,0,0|3,0,0]=4 2636 B15R1.1146 COc1cnccc1CNC(CO)CO 207a_100000759517_100011361505 [0,1,0,0,0,0|3,0,0]=4 2637 B15R1.1146 COc1cnccc1CNC(CO)CO 2230a_100000759517_100020635607 [0,1,0,0,0,0|3,0,0]=4 2638 B15R1.1146 COc1ncccc1CNC(CO)CO 207a_100000759517_100011290804 [0,1,0,0,0,0|3,0,0]=4 2639 B15R1.1146 COc1ncccc1CNC(CO)CO 2230a_100000759517_100020631285 [0,1,0,0,0,0|3,0,0]=4 2640 B15R1.1146 COc1ncccc1OCC(OC)OC 34a_100000698397_100000211822 [0,1,0,0,0,0|3,0,0]=4 2641 B15R1.1146 COc1ncccc1OCC(OC)OC 7a_100000698397_100000751394 [0,1,0,0,0,0|3,0,0]=4 2642 B15R1.1146 CSc1ccccc1CNC(CO)CO 207a_100000759517_100011217347 [0,1,0,0,0,0|2,1,0]=4 2643 B15R1.1146 CSc1ccccc1CNC(CO)CO 2230a_100000759517_100000699184 [0,1,0,0,0,0|2,1,0]=4 2644 B15R1.1147 CCC(=O)C(C)Oc1ccccc1OC 1458a_100000188836_100000210202 [0,1,0,0,0,0|1,0,2]=4 2645 B15R1.1147 CCC(O)C(=O)Cc1ccccc1OC 1458a_100011196387_100000210004 [0,1,0,0,0,0|2,0,1]=4 2646 B15R1.1147 CCC(O)C(=O)Nc1ccccc1OC 22a_100000210025_100011196387 [0,1,0,0,0,0|2,0,1]=4 2647 B15R1.1147 CCc1ccccc1NC(=O)C(O)CO 22a_100000212081_100011215603 [0,1,0,0,0,0|2,0,1]=4 2648 B15R1.1147 COc1ccccc1CC(=O)C(O)CO 1458a_100011215603_100000210004 [0,1,0,0,0,0|1,0,1]=3 2649 B15R1.1147 COc1ccccc1CN(C)C(C)CO 2230a_100000184376_100012180447 [0,1,0,0,0,0|3,0,0]=4 2650 B15R1.1147 COc1ccccc1CN(C)C(C)CO 2230a_100000693034_100000210004 [0,1,0,0,0,0|3,0,0]=4 2651 B15R1.1147 COc1ccccc1CN(C)C(C)CO 269982a_100000693034_100000210004 [0,1,0,0,0,0|3,0,0]=4 2652 B15R1.1147 COc1ccccc1CN(C)C(C)CO 270004a_100000693034_100000169842 [0,1,0,0,0,0|3,0,0]=4 2653 B15R1.1147 COc1ccccc1CN(C)[C@H](C)CO 269982a_100000184376_100016084084 [0,1,0,0,0,0|3,0,0]=4 2654 B15R1.1147 COc1ccccc1NC(=O)C(O)CO 22a_100000210025_100011215603 [0,1,0,0,0,0|1,0,1]=3 2655 B15R1.1147 COc1ccccc1OC(C)C(=O)CF 1458a_100000188836_100015361967 [0,1,0,0,0,0|1,0,2]=4 2656 B15R1.1147 COc1cnccc1CC(=O)C(O)CO 1458a_100011215603_100020635607 [0,1,0,0,0,0|2,0,1]=4 2657 B15R1.1147 COc1ncccc1CC(=O)C(O)CO 1458a_100011215603_100020631285 [0,1,0,0,0,0|2,0,1]=4 2658 B15R1.1147 CSc1ccccc1CC(=O)C(O)CO 1458a_100011215603_100000699184 [0,1,0,0,0,0|1,1,1]=4 2659 B15R1.1147 CSc1ccccc1NC(=O)C(O)CO 22a_100000211160_100011215603 [0,1,0,0,0,0|1,1,1]=4 2660 B15R1.1646 C=CC(O)CNc1c(cccc1OC)Br 34a_100000708083_100000730141 [0,1,0,0,0,0|2,0,1]=4 2661 B15R1.1646 C=CC(O)CNc1c(cccc1OC)C 2230a_100000758225_100000730141 [0,1,0,0,0,0|2,0,1]=4 2662 B15R1.1646 C=CC(O)CNc1c(cccc1OC)C 34a_100000758225_100000730141 [0,1,0,0,0,0|2,0,1]=4 2663 B15R1.1646 C=CC(O)CNc1c(cccc1OC)Cl 34a_100011309317_100000730141 [0,1,0,0,0,0|2,0,1]=4 2664 B15R1.1646 C=CC(O)CNc1c(cccc1OC)F 34a_100000686744_100000730141 [0,1,0,0,0,0|2,0,1]=4 2665 B15R1.1646 C=CC(O)CNc1c(cccc1OC)O 34a_100012022766_100000730141 [0,1,0,0,0,0|2,0,1]=4 2666 B15R1.1646 C=CC(O)COc1c(cccc1CC)Br 34a_200010001580_100000730141 [0,1,0,0,0,0|2,0,1]=4 2667 B15R1.1646 C=CC(O)COc1c(cccc1CC)Br 7a_200010001580_100000730141 [0,1,0,0,0,0|2,0,1]=4 2668 B15R1.1646 C=CC(O)COc1c(cccc1CC)C 34a_100000034007_100000730141 [0,1,0,0,0,0|2,0,1]=4 2669 B15R1.1646 C=CC(O)COc1c(cccc1CC)C 7a_100000034007_100000730141 [0,1,0,0,0,0|2,0,1]=4 2670 B15R1.1646 C=CC(O)COc1c(cccc1OC)Br 34a_100000686866_100000730141 [0,1,0,0,0,0|1,0,1]=3 2671 B15R1.1646 C=CC(O)COc1c(cccc1OC)C 34a_100011219253_100000730141 [0,1,0,0,0,0|1,0,1]=3 2672 B15R1.1646 C=CC(O)COc1c(cccc1OC)C 7a_100011219253_100000730141 [0,1,0,0,0,0|1,0,1]=3 2673 B15R1.1646 C=CC(O)COc1c(cccc1OC)Cl 34a_100009851661_100000730141 [0,1,0,0,0,0|1,0,1]=3 2674 B15R1.1646 C=CC(O)COc1c(cccc1OC)Cl 7a_100009851661_100000730141 [0,1,0,0,0,0|1,0,1]=3 2675 B15R1.1646 C=CC(O)COc1c(cccc1OC)F 34a_100000036725_100000730141 [0,1,0,0,0,0|1,0,1]=3 2676 B15R1.1646 C=CC(O)COc1c(cccc1OC)F 7a_100000036725_100000730141 [0,1,0,0,0,0|1,0,1]=3 2677 B15R1.1646 C=CC(O)COc1c(cccc1OC)N 34a_100000123586_100000730141 [0,1,0,0,0,0|1,0,1]=3 2678 B15R1.1646 C=CC(O)CSc1c(cccc1OC)Br 62a_100000730141_100010131421 [0,1,0,0,0,0|1,1,1]=4 2679 B15R1.1646 C=CC(O)CSc1c(cccc1OC)Br 62a_100010131421_100000730141 [0,1,0,0,0,0|1,1,1]=4 2680 B15R1.1646 C=CC(O)CSc1c(cccc1OC)C 62a_100000730141_100010191535 [0,1,0,0,0,0|1,1,1]=4 2681 B15R1.1646 C=CC(O)CSc1c(cccc1OC)C 62a_100010191535_100000730141 [0,1,0,0,0,0|1,1,1]=4 2682 B15R1.1646 C=CC(O)CSc1c(cccc1OC)F 62a_100000703912_100000730141 [0,1,0,0,0,0|1,1,1]=4 2683 B15R1.1646 C=CC(O)CSc1c(cccc1OC)F 62a_100000730141_100000703912 [0,1,0,0,0,0|1,1,1]=4 2684 B15R1.1646 C=CC(O)CSc1c(cccc1OC)N 62a_100000703447_100000730141 [0,1,0,0,0,0|1,1,1]=4 2685 B15R1.1646 C=CC(O)CSc1c(cccc1OC)N 62a_100000730141_100000703447 [0,1,0,0,0,0|1,1,1]=4 2686 B15R1.1646 C=CC(O)CSc1c(cccc1OC)O 62a_100000730141_100010202623 [0,1,0,0,0,0|1,1,1]=4 2687 B15R1.1646 CCC(=O)COc1c(cccc1OC)C 7a_100011219253_100000747405 [0,1,0,0,0,0|1,0,2]=4 2688 B15R1.1646 CCC(=O)COc1c(cccc1OC)Cl 7a_100009851661_100000747405 [0,1,0,0,0,0|1,0,2]=4 2689 B15R1.1646 CCC(=O)COc1c(cccc1OC)F 7a_100000036725_100000747405 [0,1,0,0,0,0|1,0,2]=4 2690 B15R1.1646 CCC(C)CNc1c(cccc1OC)Br 34a_100000708083_100000748023 [0,1,0,0,0,0|3,0,0]=4 2691 B15R1.1646 CCC(C)CNc1c(cccc1OC)C 2230a_100000758225_100000748023 [0,1,0,0,0,0|3,0,0]=4 2692 B15R1.1646 CCC(C)CNc1c(cccc1OC)C 34a_100000758225_100000748023 [0,1,0,0,0,0|3,0,0]=4 2693 B15R1.1646 CCC(C)CNc1c(cccc1OC)Cl 34a_100011309317_100000748023 [0,1,0,0,0,0|3,0,0]=4 2694 B15R1.1646 CCC(C)CNc1c(cccc1OC)F 34a_100000686744_100000748023 [0,1,0,0,0,0|3,0,0]=4 2695 B15R1.1646 CCC(C)CNc1c(cccc1OC)O 34a_100012022766_100000748023 [0,1,0,0,0,0|3,0,0]=4 2696 B15R1.1646 CCC(C)COc1c(cccc1OC)Br 34a_100000686866_100000748023 [0,1,0,0,0,0|2,0,0]=3 2697 B15R1.1646 CCC(C)COc1c(cccc1OC)C 34a_100011219253_100000748023 [0,1,0,0,0,0|2,0,0]=3 2698 B15R1.1646 CCC(C)COc1c(cccc1OC)C 7a_100011219253_100000748023 [0,1,0,0,0,0|2,0,0]=3 2699 B15R1.1646 CCC(C)COc1c(cccc1OC)Cl 34a_100009851661_100000748023 [0,1,0,0,0,0|2,0,0]=3 2700 B15R1.1646 CCC(C)COc1c(cccc1OC)Cl 7a_100009851661_100000748023 [0,1,0,0,0,0|2,0,0]=3 2701 B15R1.1646 CCC(C)COc1c(cccc1OC)F 34a_100000036725_100000748023 [0,1,0,0,0,0|2,0,0]=3 2702 B15R1.1646 CCC(C)COc1c(cccc1OC)F 7a_100000036725_100000748023 [0,1,0,0,0,0|2,0,0]=3 2703 B15R1.1646 CCC(C)COc1c(cccc1OC)N 34a_100000123586_100000748023 [0,1,0,0,0,0|2,0,0]=3 2704 B15R1.1646 CCC(C)CSc1c(cccc1OC)Br 62a_100000748023_100010131421 [0,1,0,0,0,0|2,1,0]=4 2705 B15R1.1646 CCC(C)CSc1c(cccc1OC)Br 62a_100010131421_100000748023 [0,1,0,0,0,0|2,1,0]=4 2706 B15R1.1646 CCC(C)CSc1c(cccc1OC)C 62a_100000748023_100010191535 [0,1,0,0,0,0|2,1,0]=4 2707 B15R1.1646 CCC(C)CSc1c(cccc1OC)C 62a_100010191535_100000748023 [0,1,0,0,0,0|2,1,0]=4 2708 B15R1.1646 CCC(C)CSc1c(cccc1OC)F 62a_100000703912_100000748023 [0,1,0,0,0,0|2,1,0]=4 2709 B15R1.1646 CCC(C)CSc1c(cccc1OC)F 62a_100000748023_100000703912 [0,1,0,0,0,0|2,1,0]=4 2710 B15R1.1646 CCC(C)CSc1c(cccc1OC)N 62a_100000703447_100000748023 [0,1,0,0,0,0|2,1,0]=4 2711 B15R1.1646 CCC(C)CSc1c(cccc1OC)N 62a_100000748023_100000703447 [0,1,0,0,0,0|2,1,0]=4 2712 B15R1.1646 CCC(C)CSc1c(cccc1OC)O 62a_100000748023_100010202623 [0,1,0,0,0,0|2,1,0]=4 2713 B15R1.1646 CCC(O)CNc1c(cccc1OC)Br 34a_100000708083_100011218378 [0,1,0,0,0,0|2,0,0]=3 2714 B15R1.1646 CCC(O)CNc1c(cccc1OC)C 2230a_100000758225_100011218378 [0,1,0,0,0,0|2,0,0]=3 2715 B15R1.1646 CCC(O)CNc1c(cccc1OC)C 34a_100000758225_100011218378 [0,1,0,0,0,0|2,0,0]=3 2716 B15R1.1646 CCC(O)CNc1c(cccc1OC)Cl 34a_100011309317_100011218378 [0,1,0,0,0,0|2,0,0]=3 2717 B15R1.1646 CCC(O)CNc1c(cccc1OC)F 34a_100000686744_100011218378 [0,1,0,0,0,0|2,0,0]=3 2718 B15R1.1646 CCC(O)CNc1c(cccc1OC)O 34a_100012022766_100011218378 [0,1,0,0,0,0|2,0,0]=3 2719 B15R1.1646 CCC(O)COc1c(cccc1C#N)Br 34a_100009817103_100011218378 [0,1,0,0,0,0|3,0,0]=4 2720 B15R1.1646 CCC(O)COc1c(cccc1C#N)C 34a_100011659161_100011218378 [0,1,0,0,0,0|3,0,0]=4 2721 B15R1.1646 CCC(O)COc1c(cccc1C#N)C 7a_100011659161_100011218378 [0,1,0,0,0,0|3,0,0]=4 2722 B15R1.1646 CCC(O)COc1c(cccc1C#N)Cl 34a_100009866432_100011218378 [0,1,0,0,0,0|3,0,0]=4 2723 B15R1.1646 CCC(O)COc1c(cccc1C#N)Cl 7a_100009866432_100011218378 [0,1,0,0,0,0|3,0,0]=4 2724 B15R1.1646 CCC(O)COc1c(cccc1C#N)F 34a_100000117915_100011218378 [0,1,0,0,0,0|3,0,0]=4 2725 B15R1.1646 CCC(O)COc1c(cccc1C#N)F 7a_100000117915_100011218378 [0,1,0,0,0,0|3,0,0]=4 2726 B15R1.1646 CCC(O)COc1c(cccc1CN)C 34a_100020639391_100011218378 [0,1,0,0,0,0|3,0,0]=4 2727 B15R1.1646 CCC(O)COc1c(cccc1CO)F 34a_100011997349_100011218378 [0,1,0,0,0,0|3,0,0]=4 2728 B15R1.1646 CCC(O)COc1c(cccc1CO)F 7a_100011997349_100011218378 [0,1,0,0,0,0|3,0,0]=4 2729 B15R1.1646 CCC(O)COc1c(cccc1OC)Br 34a_100000686866_100011218378 [0,1,0,0,0,0|1,0,0]=2 2730 B15R1.1646 CCC(O)COc1c(cccc1OC)C 34a_100011219253_100011218378 [0,1,0,0,0,0|1,0,0]=2 2731 B15R1.1646 CCC(O)COc1c(cccc1OC)C 7a_100011219253_100011218378 [0,1,0,0,0,0|1,0,0]=2 2732 B15R1.1646 CCC(O)COc1c(cccc1OC)Cl 34a_100009851661_100011218378 [0,1,0,0,0,0|1,0,0]=2 2733 B15R1.1646 CCC(O)COc1c(cccc1OC)Cl 7a_100009851661_100011218378 [0,1,0,0,0,0|1,0,0]=2 2734 B15R1.1646 CCC(O)COc1c(cccc1OC)F 34a_100000036725_100011218378 [0,1,0,0,0,0|1,0,0]=2 2735 B15R1.1646 CCC(O)COc1c(cccc1OC)F 7a_100000036725_100011218378 [0,1,0,0,0,0|1,0,0]=2 2736 B15R1.1646 CCC(O)COc1c(cccc1OC)N 34a_100000123586_100011218378 [0,1,0,0,0,0|1,0,0]=2 2737 B15R1.1646 CCC(O)CSc1c(cccc1OC)Br 62a_100010131421_100011218378 [0,1,0,0,0,0|1,1,0]=3 2738 B15R1.1646 CCC(O)CSc1c(cccc1OC)Br 62a_100011218378_100010131421 [0,1,0,0,0,0|1,1,0]=3 2739 B15R1.1646 CCC(O)CSc1c(cccc1OC)C 62a_100010191535_100011218378 [0,1,0,0,0,0|1,1,0]=3 2740 B15R1.1646 CCC(O)CSc1c(cccc1OC)C 62a_100011218378_100010191535 [0,1,0,0,0,0|1,1,0]=3 2741 B15R1.1646 CCC(O)CSc1c(cccc1OC)F 62a_100000703912_100011218378 [0,1,0,0,0,0|1,1,0]=3 2742 B15R1.1646 CCC(O)CSc1c(cccc1OC)F 62a_100011218378_100000703912 [0,1,0,0,0,0|1,1,0]=3 2743 B15R1.1646 CCC(O)CSc1c(cccc1OC)N 62a_100000703447_100011218378 [0,1,0,0,0,0|1,1,0]=3 2744 B15R1.1646 CCC(O)CSc1c(cccc1OC)N 62a_100011218378_100000703447 [0,1,0,0,0,0|1,1,0]=3 2745 B15R1.1646 CCC(O)CSc1c(cccc1OC)O 62a_100011218378_100010202623 [0,1,0,0,0,0|1,1,0]=3 2746 B15R1.1646 CCC(O)CSc1c(ccnc1Cl)OC 62a_100010154655_100011218378 [0,1,0,0,0,0|2,1,0]=4 2747 B15R1.1646 CCC(O)CSc1c(ccnc1Cl)OC 62a_100011218378_100010154655 [0,1,0,0,0,0|2,1,0]=4 2748 B15R1.1646 CCC(O)CSc1c(ccnc1OC)C 62a_100011218378_100012353928 [0,1,0,0,0,0|2,1,0]=4 2749 B15R1.1646 CCC(O)CSc1c(ccnc1OC)C 62a_100012353928_100011218378 [0,1,0,0,0,0|2,1,0]=4 2750 B15R1.1646 CCC(O)CSc1c(ccnc1OC)N 62a_100010243811_100011218378 [0,1,0,0,0,0|2,1,0]=4 2751 B15R1.1646 CCC(O)CSc1c(ccnc1OC)N 62a_100011218378_100010243811 [0,1,0,0,0,0|2,1,0]=4 2752 B15R1.1646 CC[C@H](C)CNc1c(cccc1OC)Br 34a_100000708083_100009816398 [0,1,0,0,0,0|3,0,0]=4 2753 B15R1.1646 CC[C@H](C)CNc1c(cccc1OC)C 2230a_100000758225_100009816398 [0,1,0,0,0,0|3,0,0]=4 2754 B15R1.1646 CC[C@H](C)CNc1c(cccc1OC)C 34a_100000758225_100009816398 [0,1,0,0,0,0|3,0,0]=4 2755 B15R1.1646 CC[C@H](C)CNc1c(cccc1OC)Cl 34a_100011309317_100009816398 [0,1,0,0,0,0|3,0,0]=4 2756 B15R1.1646 CC[C@H](C)CNc1c(cccc1OC)F 34a_100000686744_100009816398 [0,1,0,0,0,0|3,0,0]=4 2757 B15R1.1646 CC[C@H](C)CNc1c(cccc1OC)O 34a_100012022766_100009816398 [0,1,0,0,0,0|3,0,0]=4 2758 B15R1.1646 CC[C@H](C)COc1c(cccc1OC)Br 34a_100000686866_100009816398 [0,1,0,0,0,0|2,0,0]=3 2759 B15R1.1646 CC[C@H](C)COc1c(cccc1OC)C 34a_100011219253_100009816398 [0,1,0,0,0,0|2,0,0]=3 2760 B15R1.1646 CC[C@H](C)COc1c(cccc1OC)C 7a_100011219253_100009816398 [0,1,0,0,0,0|2,0,0]=3 2761 B15R1.1646 CC[C@H](C)COc1c(cccc1OC)Cl 34a_100009851661_100009816398 [0,1,0,0,0,0|2,0,0]=3 2762 B15R1.1646 CC[C@H](C)COc1c(cccc1OC)Cl 7a_100009851661_100009816398 [0,1,0,0,0,0|2,0,0]=3 2763 B15R1.1646 CC[C@H](C)COc1c(cccc1OC)F 34a_100000036725_100009816398 [0,1,0,0,0,0|2,0,0]=3 2764 B15R1.1646 CC[C@H](C)COc1c(cccc1OC)F 7a_100000036725_100009816398 [0,1,0,0,0,0|2,0,0]=3 2765 B15R1.1646 CC[C@H](C)COc1c(cccc1OC)N 34a_100000123586_100009816398 [0,1,0,0,0,0|2,0,0]=3 2766 B15R1.1646 CC[C@H](C)CSc1c(cccc1OC)Br 62a_100009816398_100010131421 [0,1,0,0,0,0|2,1,0]=4 2767 B15R1.1646 CC[C@H](C)CSc1c(cccc1OC)Br 62a_100010131421_100009816398 [0,1,0,0,0,0|2,1,0]=4 2768 B15R1.1646 CC[C@H](C)CSc1c(cccc1OC)C 62a_100009816398_100010191535 [0,1,0,0,0,0|2,1,0]=4 2769 B15R1.1646 CC[C@H](C)CSc1c(cccc1OC)C 62a_100010191535_100009816398 [0,1,0,0,0,0|2,1,0]=4 2770 B15R1.1646 CC[C@H](C)CSc1c(cccc1OC)F 62a_100000703912_100009816398 [0,1,0,0,0,0|2,1,0]=4 2771 B15R1.1646 CC[C@H](C)CSc1c(cccc1OC)F 62a_100009816398_100000703912 [0,1,0,0,0,0|2,1,0]=4 2772 B15R1.1646 CC[C@H](C)CSc1c(cccc1OC)N 62a_100000703447_100009816398 [0,1,0,0,0,0|2,1,0]=4 2773 B15R1.1646 CC[C@H](C)CSc1c(cccc1OC)N 62a_100009816398_100000703447 [0,1,0,0,0,0|2,1,0]=4 2774 B15R1.1646 CC[C@H](C)CSc1c(cccc1OC)O 62a_100009816398_100010202623 [0,1,0,0,0,0|2,1,0]=4 2775 B15R1.1646 CCc1cccc(c1NCC(O)CC)C 2230a_100000210048_100011218378 [0,1,0,0,0,0|3,0,0]=4 2776 B15R1.1646 CCc1cccc(c1NCC(O)CC)C 34a_100000210048_100011218378 [0,1,0,0,0,0|3,0,0]=4 2777 B15R1.1646 CCc1cccc(c1NCC(O)CC)C 7a_100000210048_100011218378 [0,1,0,0,0,0|3,0,0]=4 2778 B15R1.1646 CCc1cccc(c1NCC(O)CO)C 2230a_100000210048_100011219619 [0,1,0,0,0,0|2,0,0]=3 2779 B15R1.1646 CCc1cccc(c1NCC(O)CO)C 34a_100000210048_100011219619 [0,1,0,0,0,0|2,0,0]=3 2780 B15R1.1646 CCc1cccc(c1NCC(O)CO)C 7a_100000210048_100011219619 [0,1,0,0,0,0|2,0,0]=3 2781 B15R1.1646 CCc1cccc(c1NC[C@@H](C)CO)C 2230a_100000210048_100000059175 [0,1,0,0,0,0|3,0,0]=4 2782 B15R1.1646 CCc1cccc(c1NC[C@@H](C)CO)C 34a_100000210048_100000059175 [0,1,0,0,0,0|3,0,0]=4 2783 B15R1.1646 CCc1cccc(c1NC[C@@H](C)CO)C 7a_100000210048_100000059175 [0,1,0,0,0,0|3,0,0]=4 2784 B15R1.1646 CCc1cccc(c1NC[C@@H](O)CF)C 2230a_100000210048_100015614560 [0,1,0,0,0,0|3,0,0]=4 2785 B15R1.1646 CCc1cccc(c1NC[C@@H](O)CF)C 34a_100000210048_100015614560 [0,1,0,0,0,0|3,0,0]=4 2786 B15R1.1646 CCc1cccc(c1NC[C@@H](O)CF)C 7a_100000210048_100015614560 [0,1,0,0,0,0|3,0,0]=4 2787 B15R1.1646 CCc1cccc(c1NC[C@@H](O)CO)C 2230a_100000210048_100009815848 [0,1,0,0,0,0|2,0,0]=3 2788 B15R1.1646 CCc1cccc(c1NC[C@@H](O)CO)C 34a_100000210048_100009815848 [0,1,0,0,0,0|2,0,0]=3 2789 B15R1.1646 CCc1cccc(c1NC[C@@H](O)CO)C 7a_100000210048_100009815848 [0,1,0,0,0,0|2,0,0]=3 2790 B15R1.1646 CCc1cccc(c1OCC(C)CC)Br 34a_200010001580_100000748023 [0,1,0,0,0,0|3,0,0]=4 2791 B15R1.1646 CCc1cccc(c1OCC(C)CC)Br 7a_200010001580_100000748023 [0,1,0,0,0,0|3,0,0]=4 2792 B15R1.1646 CCc1cccc(c1OCC(C)CC)C 34a_100000034007_100000748023 [0,1,0,0,0,0|3,0,0]=4 2793 B15R1.1646 CCc1cccc(c1OCC(C)CC)C 7a_100000034007_100000748023 [0,1,0,0,0,0|3,0,0]=4 2794 B15R1.1646 CCc1cccc(c1OCC(O)CC)Br 34a_200010001580_100011218378 [0,1,0,0,0,0|2,0,0]=3 2795 B15R1.1646 CCc1cccc(c1OCC(O)CC)Br 7a_200010001580_100011218378 [0,1,0,0,0,0|2,0,0]=3 2796 B15R1.1646 CCc1cccc(c1OCC(O)CC)C 34a_100000034007_100011218378 [0,1,0,0,0,0|2,0,0]=3 2797 B15R1.1646 CCc1cccc(c1OCC(O)CC)C 7a_100000034007_100011218378 [0,1,0,0,0,0|2,0,0]=3 2798 B15R1.1646 CCc1cccc(c1OCC(O)CO)Br 34a_200010001580_100011219619 [0,1,0,0,0,0|1,0,0]=2 2799 B15R1.1646 CCc1cccc(c1OCC(O)CO)Br 7a_200010001580_100011219619 [0,1,0,0,0,0|1,0,0]=2 2800 B15R1.1646 CCc1cccc(c1OCC(O)CO)C 34a_100000034007_100011219619 [0,1,0,0,0,0|1,0,0]=2 2801 B15R1.1646 CCc1cccc(c1OCC(O)CO)C 7a_100000034007_100011219619 [0,1,0,0,0,0|1,0,0]=2 2802 B15R1.1646 CCc1cccc(c1OC[C@@H](C)CC)Br 34a_200010001580_100009816398 [0,1,0,0,0,0|3,0,0]=4 2803 B15R1.1646 CCc1cccc(c1OC[C@@H](C)CC)Br 7a_200010001580_100009816398 [0,1,0,0,0,0|3,0,0]=4 2804 B15R1.1646 CCc1cccc(c1OC[C@@H](C)CC)C 34a_100000034007_100009816398 [0,1,0,0,0,0|3,0,0]=4 2805 B15R1.1646 CCc1cccc(c1OC[C@@H](C)CC)C 7a_100000034007_100009816398 [0,1,0,0,0,0|3,0,0]=4 2806 B15R1.1646 CCc1cccc(c1OC[C@@H](C)CO)Br 34a_200010001580_100000059175 [0,1,0,0,0,0|2,0,0]=3 2807 B15R1.1646 CCc1cccc(c1OC[C@@H](C)CO)Br 7a_200010001580_100000059175 [0,1,0,0,0,0|2,0,0]=3 2808 B15R1.1646 CCc1cccc(c1OC[C@@H](C)CO)C 34a_100000034007_100000059175 [0,1,0,0,0,0|2,0,0]=3 2809 B15R1.1646 CCc1cccc(c1OC[C@@H](C)CO)C 7a_100000034007_100000059175 [0,1,0,0,0,0|2,0,0]=3 2810 B15R1.1646 CCc1cccc(c1OC[C@@H](O)CF)Br 34a_200010001580_100015614560 [0,1,0,0,0,0|2,0,0]=3 2811 B15R1.1646 CCc1cccc(c1OC[C@@H](O)CF)Br 7a_200010001580_100015614560 [0,1,0,0,0,0|2,0,0]=3 2812 B15R1.1646 CCc1cccc(c1OC[C@@H](O)CF)C 34a_100000034007_100015614560 [0,1,0,0,0,0|2,0,0]=3 2813 B15R1.1646 CCc1cccc(c1OC[C@@H](O)CF)C 7a_100000034007_100015614560 [0,1,0,0,0,0|2,0,0]=3 2814 B15R1.1646 CCc1cccc(c1OC[C@@H](O)CO)Br 34a_200010001580_100009815848 [0,1,0,0,0,0|1,0,0]=2 2815 B15R1.1646 CCc1cccc(c1OC[C@@H](O)CO)Br 7a_200010001580_100009815848 [0,1,0,0,0,0|1,0,0]=2 2816 B15R1.1646 CCc1cccc(c1OC[C@@H](O)CO)C 34a_100000034007_100009815848 [0,1,0,0,0,0|1,0,0]=2 2817 B15R1.1646 CCc1cccc(c1OC[C@@H](O)CO)C 7a_100000034007_100009815848 [0,1,0,0,0,0|1,0,0]=2 2818 B15R1.1646 CCc1cccc(c1SCC(O)CC)C 62a_100000036235_100011218378 [0,1,0,0,0,0|2,1,0]=4 2819 B15R1.1646 CCc1cccc(c1SCC(O)CC)C 62a_100011218378_100000036235 [0,1,0,0,0,0|2,1,0]=4 2820 B15R1.1646 CCc1cccc(c1SCC(O)CO)C 62a_100000036235_100011219619 [0,1,0,0,0,0|1,1,0]=3 2821 B15R1.1646 CCc1cccc(c1SCC(O)CO)C 62a_100011219619_100000036235 [0,1,0,0,0,0|1,1,0]=3 2822 B15R1.1646 CCc1cccc(c1SC[C@@H](C)CO)C 62a_100000036235_100000059175 [0,1,0,0,0,0|2,1,0]=4 2823 B15R1.1646 CCc1cccc(c1SC[C@@H](C)CO)C 62a_100000059175_100000036235 [0,1,0,0,0,0|2,1,0]=4 2824 B15R1.1646 CCc1cccc(c1SC[C@@H](O)CF)C 62a_100000036235_100015614560 [0,1,0,0,0,0|2,1,0]=4 2825 B15R1.1646 CCc1cccc(c1SC[C@@H](O)CF)C 62a_100015614560_100000036235 [0,1,0,0,0,0|2,1,0]=4 2826 B15R1.1646 CCc1cccc(c1SC[C@@H](O)CO)C 62a_100000036235_100009815848 [0,1,0,0,0,0|1,1,0]=3 2827 B15R1.1646 CCc1cccc(c1SC[C@@H](O)CO)C 62a_100009815848_100000036235 [0,1,0,0,0,0|1,1,0]=3 2828 B15R1.1646 CCc1occc(=O)c1OCC(O)CC 34a_100000033269_100011218378 [0,1,0,0,0,0|3,0,0]=4 2829 B15R1.1646 CCc1occc(=O)c1OCC(O)CO 34a_100000033269_100011219619 [0,1,0,0,0,0|2,0,0]=3 2830 B15R1.1646 CCc1occc(=O)c1OC[C@@H](C)CO 34a_100000033269_100000059175 [0,1,0,0,0,0|3,0,0]=4 2831 B15R1.1646 CCc1occc(=O)c1OC[C@@H](O)CF 34a_100000033269_100015614560 [0,1,0,0,0,0|3,0,0]=4 2832 B15R1.1646 CCc1occc(=O)c1OC[C@@H](O)CO 34a_100000033269_100009815848 [0,1,0,0,0,0|2,0,0]=3 2833 B15R1.1646 COc1cccc(c1CNC(C)CO)F 34a_100016992011_100012180447 [0,1,0,0,0,0|3,0,0]=4 2834 B15R1.1646 COc1cccc(c1CN[C@H](C)CO)Br 207a_100000737577_100009814803 [0,1,0,0,0,0|3,0,0]=4 2835 B15R1.1646 COc1cccc(c1CN[C@H](C)CO)Br 270004a_100000737577_100009814803 [0,1,0,0,0,0|3,0,0]=4 2836 B15R1.1646 COc1cccc(c1CN[C@H](C)CO)C 207a_100000737577_100000050978 [0,1,0,0,0,0|3,0,0]=4 2837 B15R1.1646 COc1cccc(c1CN[C@H](C)CO)C 270004a_100000737577_100000050978 [0,1,0,0,0,0|3,0,0]=4 2838 B15R1.1646 COc1cccc(c1CN[C@H](C)CO)Cl 207a_100000737577_100000757644 [0,1,0,0,0,0|3,0,0]=4 2839 B15R1.1646 COc1cccc(c1CN[C@H](C)CO)Cl 2230a_100000737577_100012349678 [0,1,0,0,0,0|3,0,0]=4 2840 B15R1.1646 COc1cccc(c1CN[C@H](C)CO)Cl 270004a_100000737577_100000757644 [0,1,0,0,0,0|3,0,0]=4 2841 B15R1.1646 COc1cccc(c1CN[C@H](C)CO)F 207a_100000737577_100011216730 [0,1,0,0,0,0|3,0,0]=4 2842 B15R1.1646 COc1cccc(c1CN[C@H](C)CO)F 2230a_100000737577_100011216731 [0,1,0,0,0,0|3,0,0]=4 2843 B15R1.1646 COc1cccc(c1CN[C@H](C)CO)F 270004a_100000737577_100011216730 [0,1,0,0,0,0|3,0,0]=4 2844 B15R1.1646 COc1cccc(c1COC(C)CO)F 34a_100011216733_100012180447 [0,1,0,0,0,0|3,0,0]=4 2845 B15R1.1646 COc1cccc(c1COC(C)CO)F 7a_100011216733_100012180447 [0,1,0,0,0,0|3,0,0]=4 2846 B15R1.1646 COc1cccc(c1CSC(C)CO)Cl 62a_100012180447_100012349678 [0,1,0,0,0,0|3,0,0]=4 2847 B15R1.1646 COc1cccc(c1CSC(C)CO)F 62a_100012180447_100011216731 [0,1,0,0,0,0|3,0,0]=4 2848 B15R1.1646 COc1cccc(c1CS[C@H](C)CO)Cl 62a_100012349678_100016084084 [0,1,0,0,0,0|3,0,0]=4 2849 B15R1.1646 COc1cccc(c1CS[C@H](C)CO)Cl 62a_100016084084_100012349678 [0,1,0,0,0,0|3,0,0]=4 2850 B15R1.1646 COc1cccc(c1CS[C@H](C)CO)F 62a_100011216731_100016084084 [0,1,0,0,0,0|3,0,0]=4 2851 B15R1.1646 COc1cccc(c1CS[C@H](C)CO)F 62a_100016084084_100011216731 [0,1,0,0,0,0|3,0,0]=4 2852 B15R1.1646 COc1cccc(c1NCC(O)CO)Br 34a_100000708083_100011219619 [0,1,0,0,0,0|1,0,0]=2 2853 B15R1.1646 COc1cccc(c1NCC(O)CO)C 2230a_100000758225_100011219619 [0,1,0,0,0,0|1,0,0]=2 2854 B15R1.1646 COc1cccc(c1NCC(O)CO)C 34a_100000758225_100011219619 [0,1,0,0,0,0|1,0,0]=2 2855 B15R1.1646 COc1cccc(c1NCC(O)CO)Cl 34a_100011309317_100011219619 [0,1,0,0,0,0|1,0,0]=2 2856 B15R1.1646 COc1cccc(c1NCC(O)CO)F 34a_100000686744_100011219619 [0,1,0,0,0,0|1,0,0]=2 2857 B15R1.1646 COc1cccc(c1NCC(O)CO)O 34a_100012022766_100011219619 [0,1,0,0,0,0|1,0,0]=2 2858 B15R1.1646 COc1cccc(c1NC[C@@H](C)CO)Br 34a_100000708083_100000059175 [0,1,0,0,0,0|2,0,0]=3 2859 B15R1.1646 COc1cccc(c1NC[C@@H](C)CO)C 2230a_100000758225_100000059175 [0,1,0,0,0,0|2,0,0]=3 2860 B15R1.1646 COc1cccc(c1NC[C@@H](C)CO)C 34a_100000758225_100000059175 [0,1,0,0,0,0|2,0,0]=3 2861 B15R1.1646 COc1cccc(c1NC[C@@H](C)CO)Cl 34a_100011309317_100000059175 [0,1,0,0,0,0|2,0,0]=3 2862 B15R1.1646 COc1cccc(c1NC[C@@H](C)CO)F 34a_100000686744_100000059175 [0,1,0,0,0,0|2,0,0]=3 2863 B15R1.1646 COc1cccc(c1NC[C@@H](C)CO)O 34a_100012022766_100000059175 [0,1,0,0,0,0|2,0,0]=3 2864 B15R1.1646 COc1cccc(c1NC[C@@H](O)CF)Br 34a_100000708083_100015614560 [0,1,0,0,0,0|2,0,0]=3 2865 B15R1.1646 COc1cccc(c1NC[C@@H](O)CF)C 2230a_100000758225_100015614560 [0,1,0,0,0,0|2,0,0]=3 2866 B15R1.1646 COc1cccc(c1NC[C@@H](O)CF)C 34a_100000758225_100015614560 [0,1,0,0,0,0|2,0,0]=3 2867 B15R1.1646 COc1cccc(c1NC[C@@H](O)CF)Cl 34a_100011309317_100015614560 [0,1,0,0,0,0|2,0,0]=3 2868 B15R1.1646 COc1cccc(c1NC[C@@H](O)CF)F 34a_100000686744_100015614560 [0,1,0,0,0,0|2,0,0]=3 2869 B15R1.1646 COc1cccc(c1NC[C@@H](O)CF)O 34a_100012022766_100015614560 [0,1,0,0,0,0|2,0,0]=3 2870 B15R1.1646 COc1cccc(c1NC[C@@H](O)CO)Br 34a_100000708083_100009815848 [0,1,0,0,0,0|1,0,0]=2 2871 B15R1.1646 COc1cccc(c1NC[C@@H](O)CO)C 2230a_100000758225_100009815848 [0,1,0,0,0,0|1,0,0]=2 2872 B15R1.1646 COc1cccc(c1NC[C@@H](O)CO)C 34a_100000758225_100009815848 [0,1,0,0,0,0|1,0,0]=2 2873 B15R1.1646 COc1cccc(c1NC[C@@H](O)CO)Cl 34a_100011309317_100009815848 [0,1,0,0,0,0|1,0,0]=2 2874 B15R1.1646 COc1cccc(c1NC[C@@H](O)CO)F 34a_100000686744_100009815848 [0,1,0,0,0,0|1,0,0]=2 2875 B15R1.1646 COc1cccc(c1NC[C@@H](O)CO)O 34a_100012022766_100009815848 [0,1,0,0,0,0|1,0,0]=2 2876 B15R1.1646 COc1cccc(c1OCC(O)CO)Br 34a_100000686866_100011219619 [0,1,0,0,0,0|0,0,0]=1 2877 B15R1.1646 COc1cccc(c1OCC(O)CO)C 34a_100011219253_100011219619 [0,1,0,0,0,0|0,0,0]=1 2878 B15R1.1646 COc1cccc(c1OCC(O)CO)C 7a_100011219253_100011219619 [0,1,0,0,0,0|0,0,0]=1 2879 B15R1.1646 COc1cccc(c1OCC(O)CO)Cl 34a_100009851661_100011219619 [0,1,0,0,0,0|0,0,0]=1 2880 B15R1.1646 COc1cccc(c1OCC(O)CO)Cl 7a_100009851661_100011219619 [0,1,0,0,0,0|0,0,0]=1 2881 B15R1.1646 COc1cccc(c1OCC(O)CO)F 34a_100000036725_100011219619 [0,1,0,0,0,0|0,0,0]=1 2882 B15R1.1646 COc1cccc(c1OCC(O)CO)F 7a_100000036725_100011219619 [0,1,0,0,0,0|0,0,0]=1 2883 B15R1.1646 COc1cccc(c1OCC(O)CO)N 34a_100000123586_100011219619 [0,1,0,0,0,0|0,0,0]=1 2884 B15R1.1646 COc1cccc(c1OC[C@@H](C)CO)Br 34a_100000686866_100000059175 [0,1,0,0,0,0|1,0,0]=2 2885 B15R1.1646 COc1cccc(c1OC[C@@H](C)CO)C 34a_100011219253_100000059175 [0,1,0,0,0,0|1,0,0]=2 2886 B15R1.1646 COc1cccc(c1OC[C@@H](C)CO)C 7a_100011219253_100000059175 [0,1,0,0,0,0|1,0,0]=2 2887 B15R1.1646 COc1cccc(c1OC[C@@H](C)CO)Cl 34a_100009851661_100000059175 [0,1,0,0,0,0|1,0,0]=2 2888 B15R1.1646 COc1cccc(c1OC[C@@H](C)CO)Cl 7a_100009851661_100000059175 [0,1,0,0,0,0|1,0,0]=2 2889 B15R1.1646 COc1cccc(c1OC[C@@H](C)CO)F 34a_100000036725_100000059175 [0,1,0,0,0,0|1,0,0]=2 2890 B15R1.1646 COc1cccc(c1OC[C@@H](C)CO)F 7a_100000036725_100000059175 [0,1,0,0,0,0|1,0,0]=2 2891 B15R1.1646 COc1cccc(c1OC[C@@H](C)CO)N 34a_100000123586_100000059175 [0,1,0,0,0,0|1,0,0]=2 2892 B15R1.1646 COc1cccc(c1OC[C@@H](O)CF)Br 34a_100000686866_100015614560 [0,1,0,0,0,0|1,0,0]=2 2893 B15R1.1646 COc1cccc(c1OC[C@@H](O)CF)C 34a_100011219253_100015614560 [0,1,0,0,0,0|1,0,0]=2 2894 B15R1.1646 COc1cccc(c1OC[C@@H](O)CF)C 7a_100011219253_100015614560 [0,1,0,0,0,0|1,0,0]=2 2895 B15R1.1646 COc1cccc(c1OC[C@@H](O)CF)Cl 34a_100009851661_100015614560 [0,1,0,0,0,0|1,0,0]=2 2896 B15R1.1646 COc1cccc(c1OC[C@@H](O)CF)Cl 7a_100009851661_100015614560 [0,1,0,0,0,0|1,0,0]=2 2897 B15R1.1646 COc1cccc(c1OC[C@@H](O)CF)F 34a_100000036725_100015614560 [0,1,0,0,0,0|1,0,0]=2 2898 B15R1.1646 COc1cccc(c1OC[C@@H](O)CF)F 7a_100000036725_100015614560 [0,1,0,0,0,0|1,0,0]=2 2899 B15R1.1646 COc1cccc(c1OC[C@@H](O)CF)N 34a_100000123586_100015614560 [0,1,0,0,0,0|1,0,0]=2 2900 B15R1.1646 COc1cccc(c1OC[C@@H](O)CO)Br 34a_100000686866_100009815848 [0,1,0,0,0,0|0,0,0]=1 2901 B15R1.1646 COc1cccc(c1OC[C@@H](O)CO)C 34a_100011219253_100009815848 [0,1,0,0,0,0|0,0,0]=1 2902 B15R1.1646 COc1cccc(c1OC[C@@H](O)CO)C 7a_100011219253_100009815848 [0,1,0,0,0,0|0,0,0]=1 2903 B15R1.1646 COc1cccc(c1OC[C@@H](O)CO)Cl 34a_100009851661_100009815848 [0,1,0,0,0,0|0,0,0]=1 2904 B15R1.1646 COc1cccc(c1OC[C@@H](O)CO)Cl 7a_100009851661_100009815848 [0,1,0,0,0,0|0,0,0]=1 2905 B15R1.1646 COc1cccc(c1OC[C@@H](O)CO)F 34a_100000036725_100009815848 [0,1,0,0,0,0|0,0,0]=1 2906 B15R1.1646 COc1cccc(c1OC[C@@H](O)CO)F 7a_100000036725_100009815848 [0,1,0,0,0,0|0,0,0]=1 2907 B15R1.1646 COc1cccc(c1OC[C@@H](O)CO)N 34a_100000123586_100009815848 [0,1,0,0,0,0|0,0,0]=1 2908 B15R1.1646 COc1cccc(c1SCC(O)CO)Br 62a_100010131421_100011219619 [0,1,0,0,0,0|0,1,0]=2 2909 B15R1.1646 COc1cccc(c1SCC(O)CO)Br 62a_100011219619_100010131421 [0,1,0,0,0,0|0,1,0]=2 2910 B15R1.1646 COc1cccc(c1SCC(O)CO)C 62a_100010191535_100011219619 [0,1,0,0,0,0|0,1,0]=2 2911 B15R1.1646 COc1cccc(c1SCC(O)CO)C 62a_100011219619_100010191535 [0,1,0,0,0,0|0,1,0]=2 2912 B15R1.1646 COc1cccc(c1SCC(O)CO)F 62a_100000703912_100011219619 [0,1,0,0,0,0|0,1,0]=2 2913 B15R1.1646 COc1cccc(c1SCC(O)CO)F 62a_100011219619_100000703912 [0,1,0,0,0,0|0,1,0]=2 2914 B15R1.1646 COc1cccc(c1SCC(O)CO)N 62a_100000703447_100011219619 [0,1,0,0,0,0|0,1,0]=2 2915 B15R1.1646 COc1cccc(c1SCC(O)CO)N 62a_100011219619_100000703447 [0,1,0,0,0,0|0,1,0]=2 2916 B15R1.1646 COc1cccc(c1SCC(O)CO)O 62a_100011219619_100010202623 [0,1,0,0,0,0|0,1,0]=2 2917 B15R1.1646 COc1cccc(c1SC[C@@H](C)CO)Br 62a_100000059175_100010131421 [0,1,0,0,0,0|1,1,0]=3 2918 B15R1.1646 COc1cccc(c1SC[C@@H](C)CO)Br 62a_100010131421_100000059175 [0,1,0,0,0,0|1,1,0]=3 2919 B15R1.1646 COc1cccc(c1SC[C@@H](C)CO)C 62a_100000059175_100010191535 [0,1,0,0,0,0|1,1,0]=3 2920 B15R1.1646 COc1cccc(c1SC[C@@H](C)CO)C 62a_100010191535_100000059175 [0,1,0,0,0,0|1,1,0]=3 2921 B15R1.1646 COc1cccc(c1SC[C@@H](C)CO)F 62a_100000059175_100000703912 [0,1,0,0,0,0|1,1,0]=3 2922 B15R1.1646 COc1cccc(c1SC[C@@H](C)CO)F 62a_100000703912_100000059175 [0,1,0,0,0,0|1,1,0]=3 2923 B15R1.1646 COc1cccc(c1SC[C@@H](C)CO)N 62a_100000059175_100000703447 [0,1,0,0,0,0|1,1,0]=3 2924 B15R1.1646 COc1cccc(c1SC[C@@H](C)CO)N 62a_100000703447_100000059175 [0,1,0,0,0,0|1,1,0]=3 2925 B15R1.1646 COc1cccc(c1SC[C@@H](C)CO)O 62a_100000059175_100010202623 [0,1,0,0,0,0|1,1,0]=3 2926 B15R1.1646 COc1cccc(c1SC[C@@H](O)CF)Br 62a_100010131421_100015614560 [0,1,0,0,0,0|1,1,0]=3 2927 B15R1.1646 COc1cccc(c1SC[C@@H](O)CF)Br 62a_100015614560_100010131421 [0,1,0,0,0,0|1,1,0]=3 2928 B15R1.1646 COc1cccc(c1SC[C@@H](O)CF)C 62a_100010191535_100015614560 [0,1,0,0,0,0|1,1,0]=3 2929 B15R1.1646 COc1cccc(c1SC[C@@H](O)CF)C 62a_100015614560_100010191535 [0,1,0,0,0,0|1,1,0]=3 2930 B15R1.1646 COc1cccc(c1SC[C@@H](O)CF)F 62a_100000703912_100015614560 [0,1,0,0,0,0|1,1,0]=3 2931 B15R1.1646 COc1cccc(c1SC[C@@H](O)CF)F 62a_100015614560_100000703912 [0,1,0,0,0,0|1,1,0]=3 2932 B15R1.1646 COc1cccc(c1SC[C@@H](O)CF)N 62a_100000703447_100015614560 [0,1,0,0,0,0|1,1,0]=3 2933 B15R1.1646 COc1cccc(c1SC[C@@H](O)CF)N 62a_100015614560_100000703447 [0,1,0,0,0,0|1,1,0]=3 2934 B15R1.1646 COc1cccc(c1SC[C@@H](O)CF)O 62a_100015614560_100010202623 [0,1,0,0,0,0|1,1,0]=3 2935 B15R1.1646 COc1cccc(c1SC[C@@H](O)CO)Br 62a_100009815848_100010131421 [0,1,0,0,0,0|0,1,0]=2 2936 B15R1.1646 COc1cccc(c1SC[C@@H](O)CO)Br 62a_100010131421_100009815848 [0,1,0,0,0,0|0,1,0]=2 2937 B15R1.1646 COc1cccc(c1SC[C@@H](O)CO)C 62a_100009815848_100010191535 [0,1,0,0,0,0|0,1,0]=2 2938 B15R1.1646 COc1cccc(c1SC[C@@H](O)CO)C 62a_100010191535_100009815848 [0,1,0,0,0,0|0,1,0]=2 2939 B15R1.1646 COc1cccc(c1SC[C@@H](O)CO)F 62a_100000703912_100009815848 [0,1,0,0,0,0|0,1,0]=2 2940 B15R1.1646 COc1cccc(c1SC[C@@H](O)CO)F 62a_100009815848_100000703912 [0,1,0,0,0,0|0,1,0]=2 2941 B15R1.1646 COc1cccc(c1SC[C@@H](O)CO)N 62a_100000703447_100009815848 [0,1,0,0,0,0|0,1,0]=2 2942 B15R1.1646 COc1cccc(c1SC[C@@H](O)CO)N 62a_100009815848_100000703447 [0,1,0,0,0,0|0,1,0]=2 2943 B15R1.1646 COc1cccc(c1SC[C@@H](O)CO)O 62a_100009815848_100010202623 [0,1,0,0,0,0|0,1,0]=2 2944 B15R1.1646 COc1ccnc(c1SCC(O)CO)Cl 62a_100010154655_100011219619 [0,1,0,0,0,0|1,1,0]=3 2945 B15R1.1646 COc1ccnc(c1SCC(O)CO)Cl 62a_100011219619_100010154655 [0,1,0,0,0,0|1,1,0]=3 2946 B15R1.1646 COc1ccnc(c1SC[C@@H](C)CO)Cl 62a_100000059175_100010154655 [0,1,0,0,0,0|2,1,0]=4 2947 B15R1.1646 COc1ccnc(c1SC[C@@H](C)CO)Cl 62a_100010154655_100000059175 [0,1,0,0,0,0|2,1,0]=4 2948 B15R1.1646 COc1ccnc(c1SC[C@@H](O)CF)Cl 62a_100010154655_100015614560 [0,1,0,0,0,0|2,1,0]=4 2949 B15R1.1646 COc1ccnc(c1SC[C@@H](O)CF)Cl 62a_100015614560_100010154655 [0,1,0,0,0,0|2,1,0]=4 2950 B15R1.1646 COc1ccnc(c1SC[C@@H](O)CO)Cl 62a_100009815848_100010154655 [0,1,0,0,0,0|1,1,0]=3 2951 B15R1.1646 COc1ccnc(c1SC[C@@H](O)CO)Cl 62a_100010154655_100009815848 [0,1,0,0,0,0|1,1,0]=3 2952 B15R1.1646 COc1cn[nH]c(=O)c1SCC(O)CO 62a_100011219619_100000020519 [0,1,0,0,0,0|2,1,0]=4 2953 B15R1.1646 COc1cn[nH]c(=O)c1SC[C@@H](O)CO 62a_100009815848_100000020519 [0,1,0,0,0,0|2,1,0]=4 2954 B15R1.1646 COc1nccc(c1SCC(O)CO)C 62a_100011219619_100012353928 [0,1,0,0,0,0|1,1,0]=3 2955 B15R1.1646 COc1nccc(c1SCC(O)CO)C 62a_100012353928_100011219619 [0,1,0,0,0,0|1,1,0]=3 2956 B15R1.1646 COc1nccc(c1SCC(O)CO)N 62a_100010243811_100011219619 [0,1,0,0,0,0|1,1,0]=3 2957 B15R1.1646 COc1nccc(c1SCC(O)CO)N 62a_100011219619_100010243811 [0,1,0,0,0,0|1,1,0]=3 2958 B15R1.1646 COc1nccc(c1SC[C@@H](C)CO)C 62a_100000059175_100012353928 [0,1,0,0,0,0|2,1,0]=4 2959 B15R1.1646 COc1nccc(c1SC[C@@H](C)CO)C 62a_100012353928_100000059175 [0,1,0,0,0,0|2,1,0]=4 2960 B15R1.1646 COc1nccc(c1SC[C@@H](C)CO)N 62a_100000059175_100010243811 [0,1,0,0,0,0|2,1,0]=4 2961 B15R1.1646 COc1nccc(c1SC[C@@H](C)CO)N 62a_100010243811_100000059175 [0,1,0,0,0,0|2,1,0]=4 2962 B15R1.1646 COc1nccc(c1SC[C@@H](O)CF)C 62a_100012353928_100015614560 [0,1,0,0,0,0|2,1,0]=4 2963 B15R1.1646 COc1nccc(c1SC[C@@H](O)CF)C 62a_100015614560_100012353928 [0,1,0,0,0,0|2,1,0]=4 2964 B15R1.1646 COc1nccc(c1SC[C@@H](O)CF)N 62a_100010243811_100015614560 [0,1,0,0,0,0|2,1,0]=4 2965 B15R1.1646 COc1nccc(c1SC[C@@H](O)CF)N 62a_100015614560_100010243811 [0,1,0,0,0,0|2,1,0]=4 2966 B15R1.1646 COc1nccc(c1SC[C@@H](O)CO)C 62a_100009815848_100012353928 [0,1,0,0,0,0|1,1,0]=3 2967 B15R1.1646 COc1nccc(c1SC[C@@H](O)CO)C 62a_100012353928_100009815848 [0,1,0,0,0,0|1,1,0]=3 2968 B15R1.1646 COc1nccc(c1SC[C@@H](O)CO)N 62a_100009815848_100010243811 [0,1,0,0,0,0|1,1,0]=3 2969 B15R1.1646 COc1nccc(c1SC[C@@H](O)CO)N 62a_100010243811_100009815848 [0,1,0,0,0,0|1,1,0]=3 2970 B15R1.1646 COc1ncnc(c1SCC(O)CO)C 62a_100010110394_100011219619 [0,1,0,0,0,0|2,1,0]=4 2971 B15R1.1646 COc1ncnc(c1SCC(O)CO)C 62a_100011219619_100010110394 [0,1,0,0,0,0|2,1,0]=4 2972 B15R1.1646 COc1ncnc(c1SC[C@@H](O)CO)C 62a_100009815848_100010110394 [0,1,0,0,0,0|2,1,0]=4 2973 B15R1.1646 COc1ncnc(c1SC[C@@H](O)CO)C 62a_100010110394_100009815848 [0,1,0,0,0,0|2,1,0]=4 2974 B15R1.1646 C[C@@H](CO)COc1c(cccc1C#N)Br 34a_100009817103_100000059175 [0,1,0,0,0,0|3,0,0]=4 2975 B15R1.1646 C[C@@H](CO)COc1c(cccc1C#N)Cl 34a_100009866432_100000059175 [0,1,0,0,0,0|3,0,0]=4 2976 B15R1.1646 C[C@@H](CO)COc1c(cccc1C#N)Cl 7a_100009866432_100000059175 [0,1,0,0,0,0|3,0,0]=4 2977 B15R1.1646 C[C@@H](CO)COc1c(cccc1C#N)F 34a_100000117915_100000059175 [0,1,0,0,0,0|3,0,0]=4 2978 B15R1.1646 C[C@@H](CO)COc1c(cccc1C#N)F 7a_100000117915_100000059175 [0,1,0,0,0,0|3,0,0]=4 2979 B15R1.1646 C[C@@H](CO)COc1c(cccc1CO)F 34a_100011997349_100000059175 [0,1,0,0,0,0|3,0,0]=4 2980 B15R1.1646 C[C@@H](CO)COc1c(cccc1CO)F 7a_100011997349_100000059175 [0,1,0,0,0,0|3,0,0]=4 2981 B15R1.1646 Cc1cccc(c1NCC(O)CO)C#N 2230a_100011826843_100011219619 [0,1,0,0,0,0|3,0,0]=4 2982 B15R1.1646 Cc1cccc(c1NCC(O)CO)CO 34a_100011215590_100011219619 [0,1,0,0,0,0|3,0,0]=4 2983 B15R1.1646 Cc1cccc(c1NC[C@@H](O)CO)C#N 2230a_100011826843_100009815848 [0,1,0,0,0,0|3,0,0]=4 2984 B15R1.1646 Cc1cccc(c1NC[C@@H](O)CO)CO 34a_100011215590_100009815848 [0,1,0,0,0,0|3,0,0]=4 2985 B15R1.1646 Cc1cccc(c1OCC(O)CO)C#N 34a_100011659161_100011219619 [0,1,0,0,0,0|2,0,0]=3 2986 B15R1.1646 Cc1cccc(c1OCC(O)CO)C#N 7a_100011659161_100011219619 [0,1,0,0,0,0|2,0,0]=3 2987 B15R1.1646 Cc1cccc(c1OCC(O)CO)CN 34a_100020639391_100011219619 [0,1,0,0,0,0|2,0,0]=3 2988 B15R1.1646 Cc1cccc(c1OC[C@@H](C)CO)C#N 34a_100011659161_100000059175 [0,1,0,0,0,0|3,0,0]=4 2989 B15R1.1646 Cc1cccc(c1OC[C@@H](C)CO)C#N 7a_100011659161_100000059175 [0,1,0,0,0,0|3,0,0]=4 2990 B15R1.1646 Cc1cccc(c1OC[C@@H](C)CO)CN 34a_100020639391_100000059175 [0,1,0,0,0,0|3,0,0]=4 2991 B15R1.1646 Cc1cccc(c1OC[C@@H](O)CF)C#N 34a_100011659161_100015614560 [0,1,0,0,0,0|3,0,0]=4 2992 B15R1.1646 Cc1cccc(c1OC[C@@H](O)CF)C#N 7a_100011659161_100015614560 [0,1,0,0,0,0|3,0,0]=4 2993 B15R1.1646 Cc1cccc(c1OC[C@@H](O)CF)CN 34a_100020639391_100015614560 [0,1,0,0,0,0|3,0,0]=4 2994 B15R1.1646 Cc1cccc(c1OC[C@@H](O)CO)C#N 34a_100011659161_100009815848 [0,1,0,0,0,0|2,0,0]=3 2995 B15R1.1646 Cc1cccc(c1OC[C@@H](O)CO)C#N 7a_100011659161_100009815848 [0,1,0,0,0,0|2,0,0]=3 2996 B15R1.1646 Cc1cccc(c1OC[C@@H](O)CO)CN 34a_100020639391_100009815848 [0,1,0,0,0,0|2,0,0]=3 2997 B15R1.1646 Cc1cccc(c1SCC(O)CO)C#N 62a_100011219619_100011934862 [0,1,0,0,0,0|2,1,0]=4 2998 B15R1.1646 Cc1cccc(c1SCC(O)CO)C=O 62a_100011219619_100012186367 [0,1,0,0,0,0|2,1,0]=4 2999 B15R1.1646 Cc1cccc(c1SCC(O)CO)C=O 62a_100012186367_100011219619 [0,1,0,0,0,0|2,1,0]=4 3000 B15R1.1646 Cc1cccc(c1SCC(O)CO)CO 62a_100011219619_100011659289 [0,1,0,0,0,0|2,1,0]=4 3001 B15R1.1646 Cc1cccc(c1SCC(O)CO)CO 62a_100011659289_100011219619 [0,1,0,0,0,0|2,1,0]=4 3002 B15R1.1646 Cc1cccc(c1SC[C@@H](O)CO)C#N 62a_100009815848_100011934862 [0,1,0,0,0,0|2,1,0]=4 3003 B15R1.1646 Cc1cccc(c1SC[C@@H](O)CO)C=O 62a_100009815848_100012186367 [0,1,0,0,0,0|2,1,0]=4 3004 B15R1.1646 Cc1cccc(c1SC[C@@H](O)CO)C=O 62a_100012186367_100009815848 [0,1,0,0,0,0|2,1,0]=4 3005 B15R1.1646 Cc1cccc(c1SC[C@@H](O)CO)CO 62a_100009815848_100011659289 [0,1,0,0,0,0|2,1,0]=4 3006 B15R1.1646 Cc1cccc(c1SC[C@@H](O)CO)CO 62a_100011659289_100009815848 [0,1,0,0,0,0|2,1,0]=4 3007 B15R1.1646 N#Cc1cccc(c1NCC(O)CO)F 2230a_100011219409_100011219619 [0,1,0,0,0,0|3,0,0]=4 3008 B15R1.1646 N#Cc1cccc(c1NCC(O)CO)F 34a_100011219409_100011219619 [0,1,0,0,0,0|3,0,0]=4 3009 B15R1.1646 N#Cc1cccc(c1NC[C@@H](O)CO)F 2230a_100011219409_100009815848 [0,1,0,0,0,0|3,0,0]=4 3010 B15R1.1646 N#Cc1cccc(c1NC[C@@H](O)CO)F 34a_100011219409_100009815848 [0,1,0,0,0,0|3,0,0]=4 3011 B15R1.1646 N#Cc1cccc(c1OCC(O)CO)Br 34a_100009817103_100011219619 [0,1,0,0,0,0|2,0,0]=3 3012 B15R1.1646 N#Cc1cccc(c1OCC(O)CO)Cl 34a_100009866432_100011219619 [0,1,0,0,0,0|2,0,0]=3 3013 B15R1.1646 N#Cc1cccc(c1OCC(O)CO)Cl 7a_100009866432_100011219619 [0,1,0,0,0,0|2,0,0]=3 3014 B15R1.1646 N#Cc1cccc(c1OCC(O)CO)F 34a_100000117915_100011219619 [0,1,0,0,0,0|2,0,0]=3 3015 B15R1.1646 N#Cc1cccc(c1OCC(O)CO)F 7a_100000117915_100011219619 [0,1,0,0,0,0|2,0,0]=3 3016 B15R1.1646 N#Cc1cccc(c1OC[C@@H](O)CF)Br 34a_100009817103_100015614560 [0,1,0,0,0,0|3,0,0]=4 3017 B15R1.1646 N#Cc1cccc(c1OC[C@@H](O)CF)Cl 34a_100009866432_100015614560 [0,1,0,0,0,0|3,0,0]=4 3018 B15R1.1646 N#Cc1cccc(c1OC[C@@H](O)CF)Cl 7a_100009866432_100015614560 [0,1,0,0,0,0|3,0,0]=4 3019 B15R1.1646 N#Cc1cccc(c1OC[C@@H](O)CF)F 34a_100000117915_100015614560 [0,1,0,0,0,0|3,0,0]=4 3020 B15R1.1646 N#Cc1cccc(c1OC[C@@H](O)CF)F 7a_100000117915_100015614560 [0,1,0,0,0,0|3,0,0]=4 3021 B15R1.1646 N#Cc1cccc(c1OC[C@@H](O)CO)Br 34a_100009817103_100009815848 [0,1,0,0,0,0|2,0,0]=3 3022 B15R1.1646 N#Cc1cccc(c1OC[C@@H](O)CO)Cl 34a_100009866432_100009815848 [0,1,0,0,0,0|2,0,0]=3 3023 B15R1.1646 N#Cc1cccc(c1OC[C@@H](O)CO)Cl 7a_100009866432_100009815848 [0,1,0,0,0,0|2,0,0]=3 3024 B15R1.1646 N#Cc1cccc(c1OC[C@@H](O)CO)F 34a_100000117915_100009815848 [0,1,0,0,0,0|2,0,0]=3 3025 B15R1.1646 N#Cc1cccc(c1OC[C@@H](O)CO)F 7a_100000117915_100009815848 [0,1,0,0,0,0|2,0,0]=3 3026 B15R1.1646 N#Cc1cccc(c1SCC(O)CO)Br 62a_100000703783_100011219619 [0,1,0,0,0,0|2,1,0]=4 3027 B15R1.1646 N#Cc1cccc(c1SCC(O)CO)Br 62a_100011219619_100000703783 [0,1,0,0,0,0|2,1,0]=4 3028 B15R1.1646 N#Cc1cccc(c1SCC(O)CO)Cl 62a_100011219619_100010134094 [0,1,0,0,0,0|2,1,0]=4 3029 B15R1.1646 N#Cc1cccc(c1SCC(O)CO)F 62a_100011219619_100011219237 [0,1,0,0,0,0|2,1,0]=4 3030 B15R1.1646 N#Cc1cccc(c1SCC(O)CO)N 62a_100011219619_100009877206 [0,1,0,0,0,0|2,1,0]=4 3031 B15R1.1646 N#Cc1cccc(c1SCC(O)CO)O 62a_100011219619_100009818990 [0,1,0,0,0,0|2,1,0]=4 3032 B15R1.1646 N#Cc1cccc(c1SC[C@@H](O)CO)Br 62a_100000703783_100009815848 [0,1,0,0,0,0|2,1,0]=4 3033 B15R1.1646 N#Cc1cccc(c1SC[C@@H](O)CO)Br 62a_100009815848_100000703783 [0,1,0,0,0,0|2,1,0]=4 3034 B15R1.1646 N#Cc1cccc(c1SC[C@@H](O)CO)Cl 62a_100009815848_100010134094 [0,1,0,0,0,0|2,1,0]=4 3035 B15R1.1646 N#Cc1cccc(c1SC[C@@H](O)CO)F 62a_100009815848_100011219237 [0,1,0,0,0,0|2,1,0]=4 3036 B15R1.1646 N#Cc1cccc(c1SC[C@@H](O)CO)N 62a_100009815848_100009877206 [0,1,0,0,0,0|2,1,0]=4 3037 B15R1.1646 N#Cc1cccc(c1SC[C@@H](O)CO)O 62a_100009815848_100009818990 [0,1,0,0,0,0|2,1,0]=4 3038 B15R1.1646 NCc1cccc(c1SCC(O)CO)F 62a_100011219619_100020638964 [0,1,0,0,0,0|2,1,0]=4 3039 B15R1.1646 NCc1cccc(c1SCC(O)CO)F 62a_100020638964_100011219619 [0,1,0,0,0,0|2,1,0]=4 3040 B15R1.1646 NCc1cccc(c1SC[C@@H](O)CO)F 62a_100009815848_100020638964 [0,1,0,0,0,0|2,1,0]=4 3041 B15R1.1646 NCc1cccc(c1SC[C@@H](O)CO)F 62a_100020638964_100009815848 [0,1,0,0,0,0|2,1,0]=4 3042 B15R1.1646 O=Cc1cccc(c1SCC(O)CO)F 62a_100011219619_100011934749 [0,1,0,0,0,0|2,1,0]=4 3043 B15R1.1646 O=Cc1cccc(c1SCC(O)CO)F 62a_100011934749_100011219619 [0,1,0,0,0,0|2,1,0]=4 3044 B15R1.1646 O=Cc1cccc(c1SCC(O)CO)O 62a_100009816417_100011219619 [0,1,0,0,0,0|2,1,0]=4 3045 B15R1.1646 O=Cc1cccc(c1SCC(O)CO)O 62a_100011219619_100009816417 [0,1,0,0,0,0|2,1,0]=4 3046 B15R1.1646 O=Cc1cccc(c1SC[C@@H](O)CO)F 62a_100009815848_100011934749 [0,1,0,0,0,0|2,1,0]=4 3047 B15R1.1646 O=Cc1cccc(c1SC[C@@H](O)CO)F 62a_100011934749_100009815848 [0,1,0,0,0,0|2,1,0]=4 3048 B15R1.1646 O=Cc1cccc(c1SC[C@@H](O)CO)O 62a_100009815848_100009816417 [0,1,0,0,0,0|2,1,0]=4 3049 B15R1.1646 O=Cc1cccc(c1SC[C@@H](O)CO)O 62a_100009816417_100009815848 [0,1,0,0,0,0|2,1,0]=4 3050 B15R1.1646 OCc1cccc(c1NCC(O)CO)Cl 34a_100012182729_100011219619 [0,1,0,0,0,0|3,0,0]=4 3051 B15R1.1646 OCc1cccc(c1NCC(O)CO)F 34a_100000692437_100011219619 [0,1,0,0,0,0|3,0,0]=4 3052 B15R1.1646 OCc1cccc(c1NC[C@@H](O)CO)Cl 34a_100012182729_100009815848 [0,1,0,0,0,0|3,0,0]=4 3053 B15R1.1646 OCc1cccc(c1NC[C@@H](O)CO)F 34a_100000692437_100009815848 [0,1,0,0,0,0|3,0,0]=4 3054 B15R1.1646 OCc1cccc(c1OCC(O)CO)F 34a_100011997349_100011219619 [0,1,0,0,0,0|2,0,0]=3 3055 B15R1.1646 OCc1cccc(c1OCC(O)CO)F 7a_100011997349_100011219619 [0,1,0,0,0,0|2,0,0]=3 3056 B15R1.1646 OCc1cccc(c1OC[C@@H](O)CF)F 34a_100011997349_100015614560 [0,1,0,0,0,0|3,0,0]=4 3057 B15R1.1646 OCc1cccc(c1OC[C@@H](O)CF)F 7a_100011997349_100015614560 [0,1,0,0,0,0|3,0,0]=4 3058 B15R1.1646 OCc1cccc(c1OC[C@@H](O)CO)F 34a_100011997349_100009815848 [0,1,0,0,0,0|2,0,0]=3 3059 B15R1.1646 OCc1cccc(c1OC[C@@H](O)CO)F 7a_100011997349_100009815848 [0,1,0,0,0,0|2,0,0]=3 3060 B15R1.1646 OCc1cccc(c1SCC(O)CO)Br 62a_100010146604_100011219619 [0,1,0,0,0,0|2,1,0]=4 3061 B15R1.1646 OCc1cccc(c1SCC(O)CO)Br 62a_100011219619_100010146604 [0,1,0,0,0,0|2,1,0]=4 3062 B15R1.1646 OCc1cccc(c1SCC(O)CO)F 62a_100011219619_100012351117 [0,1,0,0,0,0|2,1,0]=4 3063 B15R1.1646 OCc1cccc(c1SCC(O)CO)F 62a_100012351117_100011219619 [0,1,0,0,0,0|2,1,0]=4 3064 B15R1.1646 OCc1cccc(c1SC[C@@H](O)CO)Br 62a_100009815848_100010146604 [0,1,0,0,0,0|2,1,0]=4 3065 B15R1.1646 OCc1cccc(c1SC[C@@H](O)CO)Br 62a_100010146604_100009815848 [0,1,0,0,0,0|2,1,0]=4 3066 B15R1.1646 OCc1cccc(c1SC[C@@H](O)CO)F 62a_100009815848_100012351117 [0,1,0,0,0,0|2,1,0]=4 3067 B15R1.1646 OCc1cccc(c1SC[C@@H](O)CO)F 62a_100012351117_100009815848 [0,1,0,0,0,0|2,1,0]=4 3068 B15R1.4545 C#Cc1ccccc1OCC(C)(C)CO 34a_200011470546_100009813988 [0,1,0,0,0,0|2,0,1]=4 3069 B15R1.4545 C#Cc1ccccc1OCC(C)(C)CO 7a_200011470546_100009813988 [0,1,0,0,0,0|2,0,1]=4 3070 B15R1.4545 CC(C)(CO)COc1ccccc1C#N 34a_100000211048_100009813988 [0,1,0,0,0,0|3,0,0]=4 3071 B15R1.4545 CC(C)(CO)COc1ccccc1C#N 7a_100000211048_100009813988 [0,1,0,0,0,0|3,0,0]=4 3072 B15R1.4545 CC(C)(CO)COc1ccccc1CN 34a_100000185550_100009813988 [0,1,0,0,0,0|3,0,0]=4 3073 B15R1.4545 CC(C)(CO)COc1ccccc1CO 34a_100011216872_100009813988 [0,1,0,0,0,0|3,0,0]=4 3074 B15R1.4545 CCc1ccccc1NCC(C)(C)CO 34a_100000212081_100009813988 [0,1,0,0,0,0|3,0,0]=4 3075 B15R1.4545 CCc1ccccc1NCC(C)(C)CO 7a_100000212081_100009813988 [0,1,0,0,0,0|3,0,0]=4 3076 B15R1.4545 CCc1ccccc1OCC(C)(C)CO 34a_100000210936_100009813988 [0,1,0,0,0,0|2,0,0]=3 3077 B15R1.4545 CCc1ccccc1OCC(C)(C)CO 7a_100000210936_100009813988 [0,1,0,0,0,0|2,0,0]=3 3078 B15R1.4545 CCc1ccccc1SCC(C)(C)CO 62a_100009813988_100011215823 [0,1,0,0,0,0|2,1,0]=4 3079 B15R1.4545 CCc1ccccc1SCC(C)(C)CO 62a_100011215823_100009813988 [0,1,0,0,0,0|2,1,0]=4 3080 B15R1.4545 CNc1ccccc1OCC(C)(C)CO 34a_100000033821_100009813988 [0,1,0,0,0,0|2,0,0]=3 3081 B15R1.4545 CNc1ccccc1SCC(C)(C)CO 62a_100009813988_100020606079 [0,1,0,0,0,0|2,1,0]=4 3082 B15R1.4545 CNc1ccccc1SCC(C)(C)CO 62a_100020606079_100009813988 [0,1,0,0,0,0|2,1,0]=4 3083 B15R1.4545 COc1ccccc1CNC(C)(C)CO 207a_100000210608_100000169842 [0,1,0,0,0,0|3,0,0]=4 3084 B15R1.4545 COc1ccccc1CNC(C)(C)CO 2230a_100000210608_100000210004 [0,1,0,0,0,0|3,0,0]=4 3085 B15R1.4545 COc1ccccc1CNC(C)(C)CO 270004a_100000210608_100000169842 [0,1,0,0,0,0|3,0,0]=4 3086 B15R1.4545 COc1ccccc1CSC(F)(F)CO 62a_100000210004_100011217949 [0,1,0,0,0,0|3,0,0]=4 3087 B15R1.4545 COc1ccccc1CSC(F)(F)CO 62a_100011217949_100000210004 [0,1,0,0,0,0|3,0,0]=4 3088 B15R1.4545 COc1ccccc1NCC(C)(C)CO 34a_100000210025_100009813988 [0,1,0,0,0,0|2,0,0]=3 3089 B15R1.4545 COc1ccccc1OCC(C)(C)CO 34a_100000210385_100009813988 [0,1,0,0,0,0|1,0,0]=2 3090 B15R1.4545 COc1ccccc1OCC(C)(C)OC 34a_100000210385_100000701081 [0,1,0,0,0,0|3,0,0]=4 3091 B15R1.4545 COc1ccccc1SCC(C)(C)CO 62a_100000210334_100009813988 [0,1,0,0,0,0|1,1,0]=3 3092 B15R1.4545 COc1ccccc1SCC(C)(C)CO 62a_100009813988_100000210334 [0,1,0,0,0,0|1,1,0]=3 3093 B15R1.4545 COc1cccnc1OCC(C)(C)CO 34a_100025773188_100009813988 [0,1,0,0,0,0|2,0,0]=3 3094 B15R1.4545 COc1cccnc1SCC(C)(C)CO 62a_100000767102_100009813988 [0,1,0,0,0,0|2,1,0]=4 3095 B15R1.4545 COc1cccnc1SCC(C)(C)CO 62a_100009813988_100000690851 [0,1,0,0,0,0|2,1,0]=4 3096 B15R1.4545 COc1ccncc1OCC(C)(C)CO 34a_100000101186_100009813988 [0,1,0,0,0,0|2,0,0]=3 3097 B15R1.4545 COc1ccncc1SCC(C)(C)CO 62a_100009813988_100011997281 [0,1,0,0,0,0|2,1,0]=4 3098 B15R1.4545 COc1ccncc1SCC(C)(C)CO 62a_100011997281_100009813988 [0,1,0,0,0,0|2,1,0]=4 3099 B15R1.4545 COc1cnccc1SCC(C)(C)CO 62a_100009813988_100016988167 [0,1,0,0,0,0|2,1,0]=4 3100 B15R1.4545 COc1cnccc1SCC(C)(C)CO 62a_100016988167_100009813988 [0,1,0,0,0,0|2,1,0]=4 3101 B15R1.4545 COc1ncccc1OCC(C)(C)CO 34a_100000698397_100009813988 [0,1,0,0,0,0|2,0,0]=3 3102 B15R1.4545 COc1ncccc1OCC(C)(C)CO 7a_100000698397_100009813988 [0,1,0,0,0,0|2,0,0]=3 3103 B15R1.4545 COc1ncccc1SCC(C)(C)CO 62a_100000047025_100009813988 [0,1,0,0,0,0|2,1,0]=4 3104 B15R1.4545 COc1ncccc1SCC(C)(C)CO 62a_100009813988_100000047025 [0,1,0,0,0,0|2,1,0]=4 3105 B15R1.4545 CSc1ccccc1NCC(C)(C)CO 34a_100000211160_100009813988 [0,1,0,0,0,0|2,1,0]=4 3106 B15R1.4545 CSc1ccccc1OCC(C)(C)CO 34a_100011216402_100009813988 [0,1,0,0,0,0|1,1,0]=3 3107 B15R1.4545 CSc1ccccc1SCC(C)(C)CO 62a_100009813988_100011217816 [0,1,0,0,0,0|1,2,0]=4 3108 B15R1.4545 CSc1ccccc1SCC(C)(C)CO 62a_100011217816_100009813988 [0,1,0,0,0,0|1,2,0]=4 3109 B15R1.4804 C=CC(O)CNc1cccc(c1OC)Br 34a_100011935253_100000730141 [0,1,0,0,0,0|2,0,1]=4 3110 B15R1.4804 C=CC(O)CNc1cccc(c1OC)C 34a_100012017360_100000730141 [0,1,0,0,0,0|2,0,1]=4 3111 B15R1.4804 C=CC(O)CNc1cccc(c1OC)Cl 2230a_100000743799_100000730141 [0,1,0,0,0,0|2,0,1]=4 3112 B15R1.4804 C=CC(O)CNc1cccc(c1OC)Cl 34a_100000743799_100000730141 [0,1,0,0,0,0|2,0,1]=4 3113 B15R1.4804 C=CC(O)CNc1cccc(c1OC)F 34a_100011215007_100000730141 [0,1,0,0,0,0|2,0,1]=4 3114 B15R1.4804 C=CC(O)COc1cccc(c1OC)Br 34a_100010234590_100000730141 [0,1,0,0,0,0|1,0,1]=3 3115 B15R1.4804 C=CC(O)COc1cccc(c1OC)Cl 34a_200009886253_100000730141 [0,1,0,0,0,0|1,0,1]=3 3116 B15R1.4804 C=CC(O)COc1cccc(c1OC)Cl 7a_200009886253_100000730141 [0,1,0,0,0,0|1,0,1]=3 3117 B15R1.4804 C=CC(O)COc1cccc(c1SC)C 34a_200000099257_100000730141 [0,1,0,0,0,0|1,1,1]=4 3118 B15R1.4804 C=CC(O)COc1cccc(c1SC)C 7a_200000099257_100000730141 [0,1,0,0,0,0|1,1,1]=4 3119 B15R1.4804 C=CC(O)COc1ccnc(c1OC)Cl 34a_100000104430_100000730141 [0,1,0,0,0,0|2,0,1]=4 3120 B15R1.4804 C=CC(O)CSc1cccc(c1OC)Br 62a_100000730141_100010146560 [0,1,0,0,0,0|1,1,1]=4 3121 B15R1.4804 C=CC(O)CSc1cccc(c1OC)Br 62a_100010146560_100000730141 [0,1,0,0,0,0|1,1,1]=4 3122 B15R1.4804 C=CC(O)CSc1cccc(c1OC)C 62a_100000730141_100010141385 [0,1,0,0,0,0|1,1,1]=4 3123 B15R1.4804 C=CC(O)CSc1cccc(c1OC)C 62a_100010141385_100000730141 [0,1,0,0,0,0|1,1,1]=4 3124 B15R1.4804 C=CC(O)CSc1cccc(c1OC)Cl 62a_100000730141_100010147678 [0,1,0,0,0,0|1,1,1]=4 3125 B15R1.4804 C=CC(O)CSc1cccc(c1OC)Cl 62a_100010147678_100000730141 [0,1,0,0,0,0|1,1,1]=4 3126 B15R1.4804 C=CC(O)CSc1cccc(c1OC)F 62a_100000730141_100009816759 [0,1,0,0,0,0|1,1,1]=4 3127 B15R1.4804 C=CC(O)CSc1cccc(c1OC)F 62a_100009816759_100000730141 [0,1,0,0,0,0|1,1,1]=4 3128 B15R1.4804 C=CC(O)CSc1cccc(c1OC)N 62a_100011935253_100000730141 [0,1,0,0,0,0|1,1,1]=4 3129 B15R1.4804 C=CC(O)CSc1cccc(c1OC)O 62a_100000730141_100010234590 [0,1,0,0,0,0|1,1,1]=4 3130 B15R1.4804 CCC(=O)COc1cccc(c1OC)Cl 7a_200009886253_100000747405 [0,1,0,0,0,0|1,0,2]=4 3131 B15R1.4804 CCC(C)CNc1cccc(c1OC)Br 34a_100011935253_100000748023 [0,1,0,0,0,0|3,0,0]=4 3132 B15R1.4804 CCC(C)CNc1cccc(c1OC)C 34a_100012017360_100000748023 [0,1,0,0,0,0|3,0,0]=4 3133 B15R1.4804 CCC(C)CNc1cccc(c1OC)Cl 2230a_100000743799_100000748023 [0,1,0,0,0,0|3,0,0]=4 3134 B15R1.4804 CCC(C)CNc1cccc(c1OC)Cl 34a_100000743799_100000748023 [0,1,0,0,0,0|3,0,0]=4 3135 B15R1.4804 CCC(C)CNc1cccc(c1OC)F 34a_100011215007_100000748023 [0,1,0,0,0,0|3,0,0]=4 3136 B15R1.4804 CCC(C)COc1cccc(c1OC)Br 34a_100010234590_100000748023 [0,1,0,0,0,0|2,0,0]=3 3137 B15R1.4804 CCC(C)COc1cccc(c1OC)Cl 34a_200009886253_100000748023 [0,1,0,0,0,0|2,0,0]=3 3138 B15R1.4804 CCC(C)COc1cccc(c1OC)Cl 7a_200009886253_100000748023 [0,1,0,0,0,0|2,0,0]=3 3139 B15R1.4804 CCC(C)COc1cccc(c1SC)C 34a_200000099257_100000748023 [0,1,0,0,0,0|2,1,0]=4 3140 B15R1.4804 CCC(C)COc1cccc(c1SC)C 7a_200000099257_100000748023 [0,1,0,0,0,0|2,1,0]=4 3141 B15R1.4804 CCC(C)COc1ccnc(c1OC)Cl 34a_100000104430_100000748023 [0,1,0,0,0,0|3,0,0]=4 3142 B15R1.4804 CCC(C)CSc1cccc(c1OC)Br 62a_100000748023_100010146560 [0,1,0,0,0,0|2,1,0]=4 3143 B15R1.4804 CCC(C)CSc1cccc(c1OC)Br 62a_100010146560_100000748023 [0,1,0,0,0,0|2,1,0]=4 3144 B15R1.4804 CCC(C)CSc1cccc(c1OC)C 62a_100000748023_100010141385 [0,1,0,0,0,0|2,1,0]=4 3145 B15R1.4804 CCC(C)CSc1cccc(c1OC)C 62a_100010141385_100000748023 [0,1,0,0,0,0|2,1,0]=4 3146 B15R1.4804 CCC(C)CSc1cccc(c1OC)Cl 62a_100000748023_100010147678 [0,1,0,0,0,0|2,1,0]=4 3147 B15R1.4804 CCC(C)CSc1cccc(c1OC)Cl 62a_100010147678_100000748023 [0,1,0,0,0,0|2,1,0]=4 3148 B15R1.4804 CCC(C)CSc1cccc(c1OC)F 62a_100000748023_100009816759 [0,1,0,0,0,0|2,1,0]=4 3149 B15R1.4804 CCC(C)CSc1cccc(c1OC)F 62a_100009816759_100000748023 [0,1,0,0,0,0|2,1,0]=4 3150 B15R1.4804 CCC(C)CSc1cccc(c1OC)N 62a_100011935253_100000748023 [0,1,0,0,0,0|2,1,0]=4 3151 B15R1.4804 CCC(C)CSc1cccc(c1OC)O 62a_100000748023_100010234590 [0,1,0,0,0,0|2,1,0]=4 3152 B15R1.4804 CCC(O)CNc1cccc(c1OC)Br 34a_100011935253_100011218378 [0,1,0,0,0,0|2,0,0]=3 3153 B15R1.4804 CCC(O)CNc1cccc(c1OC)C 34a_100012017360_100011218378 [0,1,0,0,0,0|2,0,0]=3 3154 B15R1.4804 CCC(O)CNc1cccc(c1OC)Cl 2230a_100000743799_100011218378 [0,1,0,0,0,0|2,0,0]=3 3155 B15R1.4804 CCC(O)CNc1cccc(c1OC)Cl 34a_100000743799_100011218378 [0,1,0,0,0,0|2,0,0]=3 3156 B15R1.4804 CCC(O)CNc1cccc(c1OC)F 34a_100011215007_100011218378 [0,1,0,0,0,0|2,0,0]=3 3157 B15R1.4804 CCC(O)COc1cccc(c1C#N)Br 34a_100012180507_100011218378 [0,1,0,0,0,0|3,0,0]=4 3158 B15R1.4804 CCC(O)COc1cccc(c1C#N)Br 7a_100012180507_100011218378 [0,1,0,0,0,0|3,0,0]=4 3159 B15R1.4804 CCC(O)COc1cccc(c1C#N)C 34a_100000079363_100011218378 [0,1,0,0,0,0|3,0,0]=4 3160 B15R1.4804 CCC(O)COc1cccc(c1C#N)C 7a_100000079363_100011218378 [0,1,0,0,0,0|3,0,0]=4 3161 B15R1.4804 CCC(O)COc1cccc(c1C#N)Cl 34a_100000764475_100011218378 [0,1,0,0,0,0|3,0,0]=4 3162 B15R1.4804 CCC(O)COc1cccc(c1C#N)Cl 7a_100000764475_100011218378 [0,1,0,0,0,0|3,0,0]=4 3163 B15R1.4804 CCC(O)COc1cccc(c1C#N)F 34a_100000741147_100011218378 [0,1,0,0,0,0|3,0,0]=4 3164 B15R1.4804 CCC(O)COc1cccc(c1C#N)F 7a_100000741147_100011218378 [0,1,0,0,0,0|3,0,0]=4 3165 B15R1.4804 CCC(O)COc1cccc(c1CO)C 34a_200009874777_100011218378 [0,1,0,0,0,0|3,0,0]=4 3166 B15R1.4804 CCC(O)COc1cccc(c1CO)C 7a_200009874777_100011218378 [0,1,0,0,0,0|3,0,0]=4 3167 B15R1.4804 CCC(O)COc1cccc(c1OC)Br 34a_100010234590_100011218378 [0,1,0,0,0,0|1,0,0]=2 3168 B15R1.4804 CCC(O)COc1cccc(c1OC)Cl 34a_200009886253_100011218378 [0,1,0,0,0,0|1,0,0]=2 3169 B15R1.4804 CCC(O)COc1cccc(c1OC)Cl 7a_200009886253_100011218378 [0,1,0,0,0,0|1,0,0]=2 3170 B15R1.4804 CCC(O)COc1cccc(c1SC)C 34a_200000099257_100011218378 [0,1,0,0,0,0|1,1,0]=3 3171 B15R1.4804 CCC(O)COc1cccc(c1SC)C 7a_200000099257_100011218378 [0,1,0,0,0,0|1,1,0]=3 3172 B15R1.4804 CCC(O)COc1ccnc(c1OC)Cl 34a_100000104430_100011218378 [0,1,0,0,0,0|2,0,0]=3 3173 B15R1.4804 CCC(O)CSc1cccc(c1NC)N 62a_100010510394_100011218378 [0,1,0,0,0,0|2,1,0]=4 3174 B15R1.4804 CCC(O)CSc1cccc(c1OC)Br 62a_100010146560_100011218378 [0,1,0,0,0,0|1,1,0]=3 3175 B15R1.4804 CCC(O)CSc1cccc(c1OC)Br 62a_100011218378_100010146560 [0,1,0,0,0,0|1,1,0]=3 3176 B15R1.4804 CCC(O)CSc1cccc(c1OC)C 62a_100010141385_100011218378 [0,1,0,0,0,0|1,1,0]=3 3177 B15R1.4804 CCC(O)CSc1cccc(c1OC)C 62a_100011218378_100010141385 [0,1,0,0,0,0|1,1,0]=3 3178 B15R1.4804 CCC(O)CSc1cccc(c1OC)Cl 62a_100010147678_100011218378 [0,1,0,0,0,0|1,1,0]=3 3179 B15R1.4804 CCC(O)CSc1cccc(c1OC)Cl 62a_100011218378_100010147678 [0,1,0,0,0,0|1,1,0]=3 3180 B15R1.4804 CCC(O)CSc1cccc(c1OC)F 62a_100009816759_100011218378 [0,1,0,0,0,0|1,1,0]=3 3181 B15R1.4804 CCC(O)CSc1cccc(c1OC)F 62a_100011218378_100009816759 [0,1,0,0,0,0|1,1,0]=3 3182 B15R1.4804 CCC(O)CSc1cccc(c1OC)N 62a_100011935253_100011218378 [0,1,0,0,0,0|1,1,0]=3 3183 B15R1.4804 CCC(O)CSc1cccc(c1OC)O 62a_100011218378_100010234590 [0,1,0,0,0,0|1,1,0]=3 3184 B15R1.4804 CCC(O)CSc1cccc(c1SC)F 62a_100011218378_200010709249 [0,1,0,0,0,0|1,2,0]=4 3185 B15R1.4804 CCC(O)CSc1cccc(c1SC)F 62a_200010709249_100011218378 [0,1,0,0,0,0|1,2,0]=4 3186 B15R1.4804 CCC(O)CSc1ccnc(c1OC)C 62a_100000685116_100011218378 [0,1,0,0,0,0|2,1,0]=4 3187 B15R1.4804 CCC(O)CSc1ccnc(c1OC)C 62a_100011218378_100000685116 [0,1,0,0,0,0|2,1,0]=4 3188 B15R1.4804 CCC(O)CSc1ccnc(c1OC)Cl 62a_100010068014_100011218378 [0,1,0,0,0,0|2,1,0]=4 3189 B15R1.4804 CCC(O)CSc1ccnc(c1OC)Cl 62a_100011218378_100010068014 [0,1,0,0,0,0|2,1,0]=4 3190 B15R1.4804 CCC(O)CSc1ccnc(c1OC)N 62a_100009880012_100011218378 [0,1,0,0,0,0|2,1,0]=4 3191 B15R1.4804 CCC(O)CSc1ccnc(c1OC)N 62a_100011218378_100009880012 [0,1,0,0,0,0|2,1,0]=4 3192 B15R1.4804 CCC(O)CSc1cncc(c1OC)N 62a_100011218378_100012359933 [0,1,0,0,0,0|2,1,0]=4 3193 B15R1.4804 CCC(O)CSc1cncc(c1OC)N 62a_100012359933_100011218378 [0,1,0,0,0,0|2,1,0]=4 3194 B15R1.4804 CCC(O)CSc1nccc(c1OC)N 62a_100000104429_100011218378 [0,1,0,0,0,0|2,1,0]=4 3195 B15R1.4804 CCC(O)CSc1nccc(c1OC)N 62a_100011218378_100000104429 [0,1,0,0,0,0|2,1,0]=4 3196 B15R1.4804 CCC(O)CSc1nccc(c1OC)O 62a_100011218378_100000104430 [0,1,0,0,0,0|2,1,0]=4 3197 B15R1.4804 CC[C@H](C)CNc1cccc(c1OC)Br 34a_100011935253_100009816398 [0,1,0,0,0,0|3,0,0]=4 3198 B15R1.4804 CC[C@H](C)CNc1cccc(c1OC)C 34a_100012017360_100009816398 [0,1,0,0,0,0|3,0,0]=4 3199 B15R1.4804 CC[C@H](C)CNc1cccc(c1OC)Cl 2230a_100000743799_100009816398 [0,1,0,0,0,0|3,0,0]=4 3200 B15R1.4804 CC[C@H](C)CNc1cccc(c1OC)Cl 34a_100000743799_100009816398 [0,1,0,0,0,0|3,0,0]=4 3201 B15R1.4804 CC[C@H](C)CNc1cccc(c1OC)F 34a_100011215007_100009816398 [0,1,0,0,0,0|3,0,0]=4 3202 B15R1.4804 CC[C@H](C)COc1cccc(c1OC)Br 34a_100010234590_100009816398 [0,1,0,0,0,0|2,0,0]=3 3203 B15R1.4804 CC[C@H](C)COc1cccc(c1OC)Cl 34a_200009886253_100009816398 [0,1,0,0,0,0|2,0,0]=3 3204 B15R1.4804 CC[C@H](C)COc1cccc(c1OC)Cl 7a_200009886253_100009816398 [0,1,0,0,0,0|2,0,0]=3 3205 B15R1.4804 CC[C@H](C)COc1cccc(c1SC)C 34a_200000099257_100009816398 [0,1,0,0,0,0|2,1,0]=4 3206 B15R1.4804 CC[C@H](C)COc1cccc(c1SC)C 7a_200000099257_100009816398 [0,1,0,0,0,0|2,1,0]=4 3207 B15R1.4804 CC[C@H](C)COc1ccnc(c1OC)Cl 34a_100000104430_100009816398 [0,1,0,0,0,0|3,0,0]=4 3208 B15R1.4804 CC[C@H](C)CSc1cccc(c1OC)Br 62a_100009816398_100010146560 [0,1,0,0,0,0|2,1,0]=4 3209 B15R1.4804 CC[C@H](C)CSc1cccc(c1OC)Br 62a_100010146560_100009816398 [0,1,0,0,0,0|2,1,0]=4 3210 B15R1.4804 CC[C@H](C)CSc1cccc(c1OC)C 62a_100009816398_100010141385 [0,1,0,0,0,0|2,1,0]=4 3211 B15R1.4804 CC[C@H](C)CSc1cccc(c1OC)C 62a_100010141385_100009816398 [0,1,0,0,0,0|2,1,0]=4 3212 B15R1.4804 CC[C@H](C)CSc1cccc(c1OC)Cl 62a_100009816398_100010147678 [0,1,0,0,0,0|2,1,0]=4 3213 B15R1.4804 CC[C@H](C)CSc1cccc(c1OC)Cl 62a_100010147678_100009816398 [0,1,0,0,0,0|2,1,0]=4 3214 B15R1.4804 CC[C@H](C)CSc1cccc(c1OC)F 62a_100009816398_100009816759 [0,1,0,0,0,0|2,1,0]=4 3215 B15R1.4804 CC[C@H](C)CSc1cccc(c1OC)F 62a_100009816759_100009816398 [0,1,0,0,0,0|2,1,0]=4 3216 B15R1.4804 CC[C@H](C)CSc1cccc(c1OC)N 62a_100011935253_100009816398 [0,1,0,0,0,0|2,1,0]=4 3217 B15R1.4804 CC[C@H](C)CSc1cccc(c1OC)O 62a_100009816398_100010234590 [0,1,0,0,0,0|2,1,0]=4 3218 B15R1.4804 CNc1c(cccc1SCC(O)CO)N 62a_100010510394_100011219619 [0,1,0,0,0,0|1,1,0]=3 3219 B15R1.4804 CNc1c(cccc1SC[C@@H](C)CO)N 62a_100010510394_100000059175 [0,1,0,0,0,0|2,1,0]=4 3220 B15R1.4804 CNc1c(cccc1SC[C@@H](O)CF)N 62a_100010510394_100015614560 [0,1,0,0,0,0|2,1,0]=4 3221 B15R1.4804 CNc1c(cccc1SC[C@@H](O)CO)N 62a_100010510394_100009815848 [0,1,0,0,0,0|1,1,0]=3 3222 B15R1.4804 COc1c(cccc1CNC(C)CO)F 34a_100137345168_100012180447 [0,1,0,0,0,0|3,0,0]=4 3223 B15R1.4804 COc1c(cccc1CN[C@H](C)CO)Br 207a_100000737577_100000692592 [0,1,0,0,0,0|3,0,0]=4 3224 B15R1.4804 COc1c(cccc1CN[C@H](C)CO)Br 2230a_100000737577_100011470457 [0,1,0,0,0,0|3,0,0]=4 3225 B15R1.4804 COc1c(cccc1CN[C@H](C)CO)Br 270004a_100000737577_100000692592 [0,1,0,0,0,0|3,0,0]=4 3226 B15R1.4804 COc1c(cccc1CN[C@H](C)CO)C 207a_100000737577_100011361485 [0,1,0,0,0,0|3,0,0]=4 3227 B15R1.4804 COc1c(cccc1CN[C@H](C)CO)C 2230a_100000737577_100012349798 [0,1,0,0,0,0|3,0,0]=4 3228 B15R1.4804 COc1c(cccc1CN[C@H](C)CO)C 270004a_100000737577_100011361485 [0,1,0,0,0,0|3,0,0]=4 3229 B15R1.4804 COc1c(cccc1CN[C@H](C)CO)Cl 207a_100000737577_100011466644 [0,1,0,0,0,0|3,0,0]=4 3230 B15R1.4804 COc1c(cccc1CN[C@H](C)CO)Cl 270004a_100000737577_100011466644 [0,1,0,0,0,0|3,0,0]=4 3231 B15R1.4804 COc1c(cccc1CN[C@H](C)CO)F 207a_100000737577_100011830294 [0,1,0,0,0,0|3,0,0]=4 3232 B15R1.4804 COc1c(cccc1CN[C@H](C)CO)F 270004a_100000737577_100011830294 [0,1,0,0,0,0|3,0,0]=4 3233 B15R1.4804 COc1c(cccc1COC(C)CO)Br 34a_100000704359_100012180447 [0,1,0,0,0,0|3,0,0]=4 3234 B15R1.4804 COc1c(cccc1COC(C)CO)Br 7a_100000704359_100012180447 [0,1,0,0,0,0|3,0,0]=4 3235 B15R1.4804 COc1c(cccc1COC(C)CO)C 34a_100012184769_100012180447 [0,1,0,0,0,0|3,0,0]=4 3236 B15R1.4804 COc1c(cccc1COC(C)CO)C 7a_100012184769_100012180447 [0,1,0,0,0,0|3,0,0]=4 3237 B15R1.4804 COc1c(cccc1COC(C)CO)F 34a_100011830279_100012180447 [0,1,0,0,0,0|3,0,0]=4 3238 B15R1.4804 COc1c(cccc1COC(C)CO)F 7a_100011830279_100012180447 [0,1,0,0,0,0|3,0,0]=4 3239 B15R1.4804 COc1c(cccc1CSC(C)CO)Br 62a_100012180447_100011470457 [0,1,0,0,0,0|3,0,0]=4 3240 B15R1.4804 COc1c(cccc1CSC(C)CO)C 62a_100012180447_100012349798 [0,1,0,0,0,0|3,0,0]=4 3241 B15R1.4804 COc1c(cccc1CS[C@H](C)CO)Br 62a_100011470457_100016084084 [0,1,0,0,0,0|3,0,0]=4 3242 B15R1.4804 COc1c(cccc1CS[C@H](C)CO)Br 62a_100016084084_100011470457 [0,1,0,0,0,0|3,0,0]=4 3243 B15R1.4804 COc1c(cccc1CS[C@H](C)CO)C 62a_100012349798_100016084084 [0,1,0,0,0,0|3,0,0]=4 3244 B15R1.4804 COc1c(cccc1CS[C@H](C)CO)C 62a_100016084084_100012349798 [0,1,0,0,0,0|3,0,0]=4 3245 B15R1.4804 COc1c(cccc1NCC(O)CO)Br 34a_100011935253_100011219619 [0,1,0,0,0,0|1,0,0]=2 3246 B15R1.4804 COc1c(cccc1NCC(O)CO)C 34a_100012017360_100011219619 [0,1,0,0,0,0|1,0,0]=2 3247 B15R1.4804 COc1c(cccc1NCC(O)CO)Cl 2230a_100000743799_100011219619 [0,1,0,0,0,0|1,0,0]=2 3248 B15R1.4804 COc1c(cccc1NCC(O)CO)Cl 34a_100000743799_100011219619 [0,1,0,0,0,0|1,0,0]=2 3249 B15R1.4804 COc1c(cccc1NCC(O)CO)F 34a_100011215007_100011219619 [0,1,0,0,0,0|1,0,0]=2 3250 B15R1.4804 COc1c(cccc1NC[C@@H](C)CO)Br 34a_100011935253_100000059175 [0,1,0,0,0,0|2,0,0]=3 3251 B15R1.4804 COc1c(cccc1NC[C@@H](C)CO)C 34a_100012017360_100000059175 [0,1,0,0,0,0|2,0,0]=3 3252 B15R1.4804 COc1c(cccc1NC[C@@H](C)CO)Cl 2230a_100000743799_100000059175 [0,1,0,0,0,0|2,0,0]=3 3253 B15R1.4804 COc1c(cccc1NC[C@@H](C)CO)Cl 34a_100000743799_100000059175 [0,1,0,0,0,0|2,0,0]=3 3254 B15R1.4804 COc1c(cccc1NC[C@@H](C)CO)F 34a_100011215007_100000059175 [0,1,0,0,0,0|2,0,0]=3 3255 B15R1.4804 COc1c(cccc1NC[C@@H](O)CF)Br 34a_100011935253_100015614560 [0,1,0,0,0,0|2,0,0]=3 3256 B15R1.4804 COc1c(cccc1NC[C@@H](O)CF)C 34a_100012017360_100015614560 [0,1,0,0,0,0|2,0,0]=3 3257 B15R1.4804 COc1c(cccc1NC[C@@H](O)CF)Cl 2230a_100000743799_100015614560 [0,1,0,0,0,0|2,0,0]=3 3258 B15R1.4804 COc1c(cccc1NC[C@@H](O)CF)Cl 34a_100000743799_100015614560 [0,1,0,0,0,0|2,0,0]=3 3259 B15R1.4804 COc1c(cccc1NC[C@@H](O)CF)F 34a_100011215007_100015614560 [0,1,0,0,0,0|2,0,0]=3 3260 B15R1.4804 COc1c(cccc1NC[C@@H](O)CO)Br 34a_100011935253_100009815848 [0,1,0,0,0,0|1,0,0]=2 3261 B15R1.4804 COc1c(cccc1NC[C@@H](O)CO)C 34a_100012017360_100009815848 [0,1,0,0,0,0|1,0,0]=2 3262 B15R1.4804 COc1c(cccc1NC[C@@H](O)CO)Cl 2230a_100000743799_100009815848 [0,1,0,0,0,0|1,0,0]=2 3263 B15R1.4804 COc1c(cccc1NC[C@@H](O)CO)Cl 34a_100000743799_100009815848 [0,1,0,0,0,0|1,0,0]=2 3264 B15R1.4804 COc1c(cccc1NC[C@@H](O)CO)F 34a_100011215007_100009815848 [0,1,0,0,0,0|1,0,0]=2 3265 B15R1.4804 COc1c(cccc1OCC(O)CO)Br 34a_100010234590_100011219619 [0,1,0,0,0,0|0,0,0]=1 3266 B15R1.4804 COc1c(cccc1OCC(O)CO)Cl 34a_200009886253_100011219619 [0,1,0,0,0,0|0,0,0]=1 3267 B15R1.4804 COc1c(cccc1OCC(O)CO)Cl 7a_200009886253_100011219619 [0,1,0,0,0,0|0,0,0]=1 3268 B15R1.4804 COc1c(cccc1OC[C@@H](C)CO)Br 34a_100010234590_100000059175 [0,1,0,0,0,0|1,0,0]=2 3269 B15R1.4804 COc1c(cccc1OC[C@@H](C)CO)Cl 34a_200009886253_100000059175 [0,1,0,0,0,0|1,0,0]=2 3270 B15R1.4804 COc1c(cccc1OC[C@@H](C)CO)Cl 7a_200009886253_100000059175 [0,1,0,0,0,0|1,0,0]=2 3271 B15R1.4804 COc1c(cccc1OC[C@@H](O)CF)Br 34a_100010234590_100015614560 [0,1,0,0,0,0|1,0,0]=2 3272 B15R1.4804 COc1c(cccc1OC[C@@H](O)CF)Cl 34a_200009886253_100015614560 [0,1,0,0,0,0|1,0,0]=2 3273 B15R1.4804 COc1c(cccc1OC[C@@H](O)CF)Cl 7a_200009886253_100015614560 [0,1,0,0,0,0|1,0,0]=2 3274 B15R1.4804 COc1c(cccc1OC[C@@H](O)CO)Br 34a_100010234590_100009815848 [0,1,0,0,0,0|0,0,0]=1 3275 B15R1.4804 COc1c(cccc1OC[C@@H](O)CO)Cl 34a_200009886253_100009815848 [0,1,0,0,0,0|0,0,0]=1 3276 B15R1.4804 COc1c(cccc1OC[C@@H](O)CO)Cl 7a_200009886253_100009815848 [0,1,0,0,0,0|0,0,0]=1 3277 B15R1.4804 COc1c(cccc1SCC(O)CO)Br 62a_100010146560_100011219619 [0,1,0,0,0,0|0,1,0]=2 3278 B15R1.4804 COc1c(cccc1SCC(O)CO)Br 62a_100011219619_100010146560 [0,1,0,0,0,0|0,1,0]=2 3279 B15R1.4804 COc1c(cccc1SCC(O)CO)C 62a_100010141385_100011219619 [0,1,0,0,0,0|0,1,0]=2 3280 B15R1.4804 COc1c(cccc1SCC(O)CO)C 62a_100011219619_100010141385 [0,1,0,0,0,0|0,1,0]=2 3281 B15R1.4804 COc1c(cccc1SCC(O)CO)Cl 62a_100010147678_100011219619 [0,1,0,0,0,0|0,1,0]=2 3282 B15R1.4804 COc1c(cccc1SCC(O)CO)Cl 62a_100011219619_100010147678 [0,1,0,0,0,0|0,1,0]=2 3283 B15R1.4804 COc1c(cccc1SCC(O)CO)F 62a_100009816759_100011219619 [0,1,0,0,0,0|0,1,0]=2 3284 B15R1.4804 COc1c(cccc1SCC(O)CO)F 62a_100011219619_100009816759 [0,1,0,0,0,0|0,1,0]=2 3285 B15R1.4804 COc1c(cccc1SCC(O)CO)N 62a_100011935253_100011219619 [0,1,0,0,0,0|0,1,0]=2 3286 B15R1.4804 COc1c(cccc1SCC(O)CO)O 62a_100011219619_100010234590 [0,1,0,0,0,0|0,1,0]=2 3287 B15R1.4804 COc1c(cccc1SC[C@@H](C)CO)Br 62a_100000059175_100010146560 [0,1,0,0,0,0|1,1,0]=3 3288 B15R1.4804 COc1c(cccc1SC[C@@H](C)CO)Br 62a_100010146560_100000059175 [0,1,0,0,0,0|1,1,0]=3 3289 B15R1.4804 COc1c(cccc1SC[C@@H](C)CO)C 62a_100000059175_100010141385 [0,1,0,0,0,0|1,1,0]=3 3290 B15R1.4804 COc1c(cccc1SC[C@@H](C)CO)C 62a_100010141385_100000059175 [0,1,0,0,0,0|1,1,0]=3 3291 B15R1.4804 COc1c(cccc1SC[C@@H](C)CO)Cl 62a_100000059175_100010147678 [0,1,0,0,0,0|1,1,0]=3 3292 B15R1.4804 COc1c(cccc1SC[C@@H](C)CO)Cl 62a_100010147678_100000059175 [0,1,0,0,0,0|1,1,0]=3 3293 B15R1.4804 COc1c(cccc1SC[C@@H](C)CO)F 62a_100000059175_100009816759 [0,1,0,0,0,0|1,1,0]=3 3294 B15R1.4804 COc1c(cccc1SC[C@@H](C)CO)F 62a_100009816759_100000059175 [0,1,0,0,0,0|1,1,0]=3 3295 B15R1.4804 COc1c(cccc1SC[C@@H](C)CO)N 62a_100011935253_100000059175 [0,1,0,0,0,0|1,1,0]=3 3296 B15R1.4804 COc1c(cccc1SC[C@@H](C)CO)O 62a_100000059175_100010234590 [0,1,0,0,0,0|1,1,0]=3 3297 B15R1.4804 COc1c(cccc1SC[C@@H](O)CF)Br 62a_100010146560_100015614560 [0,1,0,0,0,0|1,1,0]=3 3298 B15R1.4804 COc1c(cccc1SC[C@@H](O)CF)Br 62a_100015614560_100010146560 [0,1,0,0,0,0|1,1,0]=3 3299 B15R1.4804 COc1c(cccc1SC[C@@H](O)CF)C 62a_100010141385_100015614560 [0,1,0,0,0,0|1,1,0]=3 3300 B15R1.4804 COc1c(cccc1SC[C@@H](O)CF)C 62a_100015614560_100010141385 [0,1,0,0,0,0|1,1,0]=3 3301 B15R1.4804 COc1c(cccc1SC[C@@H](O)CF)Cl 62a_100010147678_100015614560 [0,1,0,0,0,0|1,1,0]=3 3302 B15R1.4804 COc1c(cccc1SC[C@@H](O)CF)Cl 62a_100015614560_100010147678 [0,1,0,0,0,0|1,1,0]=3 3303 B15R1.4804 COc1c(cccc1SC[C@@H](O)CF)F 62a_100009816759_100015614560 [0,1,0,0,0,0|1,1,0]=3 3304 B15R1.4804 COc1c(cccc1SC[C@@H](O)CF)F 62a_100015614560_100009816759 [0,1,0,0,0,0|1,1,0]=3 3305 B15R1.4804 COc1c(cccc1SC[C@@H](O)CF)N 62a_100011935253_100015614560 [0,1,0,0,0,0|1,1,0]=3 3306 B15R1.4804 COc1c(cccc1SC[C@@H](O)CF)O 62a_100015614560_100010234590 [0,1,0,0,0,0|1,1,0]=3 3307 B15R1.4804 COc1c(cccc1SC[C@@H](O)CO)Br 62a_100009815848_100010146560 [0,1,0,0,0,0|0,1,0]=2 3308 B15R1.4804 COc1c(cccc1SC[C@@H](O)CO)Br 62a_100010146560_100009815848 [0,1,0,0,0,0|0,1,0]=2 3309 B15R1.4804 COc1c(cccc1SC[C@@H](O)CO)C 62a_100009815848_100010141385 [0,1,0,0,0,0|0,1,0]=2 3310 B15R1.4804 COc1c(cccc1SC[C@@H](O)CO)C 62a_100010141385_100009815848 [0,1,0,0,0,0|0,1,0]=2 3311 B15R1.4804 COc1c(cccc1SC[C@@H](O)CO)Cl 62a_100009815848_100010147678 [0,1,0,0,0,0|0,1,0]=2 3312 B15R1.4804 COc1c(cccc1SC[C@@H](O)CO)Cl 62a_100010147678_100009815848 [0,1,0,0,0,0|0,1,0]=2 3313 B15R1.4804 COc1c(cccc1SC[C@@H](O)CO)F 62a_100009815848_100009816759 [0,1,0,0,0,0|0,1,0]=2 3314 B15R1.4804 COc1c(cccc1SC[C@@H](O)CO)F 62a_100009816759_100009815848 [0,1,0,0,0,0|0,1,0]=2 3315 B15R1.4804 COc1c(cccc1SC[C@@H](O)CO)N 62a_100011935253_100009815848 [0,1,0,0,0,0|0,1,0]=2 3316 B15R1.4804 COc1c(cccc1SC[C@@H](O)CO)O 62a_100009815848_100010234590 [0,1,0,0,0,0|0,1,0]=2 3317 B15R1.4804 COc1c(ccnc1C)SCC(O)CO 62a_100000685116_100011219619 [0,1,0,0,0,0|1,1,0]=3 3318 B15R1.4804 COc1c(ccnc1C)SCC(O)CO 62a_100011219619_100000685116 [0,1,0,0,0,0|1,1,0]=3 3319 B15R1.4804 COc1c(ccnc1C)SC[C@@H](C)CO 62a_100000059175_100000685116 [0,1,0,0,0,0|2,1,0]=4 3320 B15R1.4804 COc1c(ccnc1C)SC[C@@H](C)CO 62a_100000685116_100000059175 [0,1,0,0,0,0|2,1,0]=4 3321 B15R1.4804 COc1c(ccnc1C)SC[C@@H](O)CF 62a_100000685116_100015614560 [0,1,0,0,0,0|2,1,0]=4 3322 B15R1.4804 COc1c(ccnc1C)SC[C@@H](O)CF 62a_100015614560_100000685116 [0,1,0,0,0,0|2,1,0]=4 3323 B15R1.4804 COc1c(ccnc1C)SC[C@@H](O)CO 62a_100000685116_100009815848 [0,1,0,0,0,0|1,1,0]=3 3324 B15R1.4804 COc1c(ccnc1C)SC[C@@H](O)CO 62a_100009815848_100000685116 [0,1,0,0,0,0|1,1,0]=3 3325 B15R1.4804 COc1c(ccnc1Cl)OCC(O)CO 34a_100000104430_100011219619 [0,1,0,0,0,0|1,0,0]=2 3326 B15R1.4804 COc1c(ccnc1Cl)OC[C@@H](C)CO 34a_100000104430_100000059175 [0,1,0,0,0,0|2,0,0]=3 3327 B15R1.4804 COc1c(ccnc1Cl)OC[C@@H](O)CF 34a_100000104430_100015614560 [0,1,0,0,0,0|2,0,0]=3 3328 B15R1.4804 COc1c(ccnc1Cl)OC[C@@H](O)CO 34a_100000104430_100009815848 [0,1,0,0,0,0|1,0,0]=2 3329 B15R1.4804 COc1c(ccnc1Cl)SCC(O)CO 62a_100010068014_100011219619 [0,1,0,0,0,0|1,1,0]=3 3330 B15R1.4804 COc1c(ccnc1Cl)SCC(O)CO 62a_100011219619_100010068014 [0,1,0,0,0,0|1,1,0]=3 3331 B15R1.4804 COc1c(ccnc1Cl)SC[C@@H](C)CO 62a_100000059175_100010068014 [0,1,0,0,0,0|2,1,0]=4 3332 B15R1.4804 COc1c(ccnc1Cl)SC[C@@H](C)CO 62a_100010068014_100000059175 [0,1,0,0,0,0|2,1,0]=4 3333 B15R1.4804 COc1c(ccnc1Cl)SC[C@@H](O)CF 62a_100010068014_100015614560 [0,1,0,0,0,0|2,1,0]=4 3334 B15R1.4804 COc1c(ccnc1Cl)SC[C@@H](O)CF 62a_100015614560_100010068014 [0,1,0,0,0,0|2,1,0]=4 3335 B15R1.4804 COc1c(ccnc1Cl)SC[C@@H](O)CO 62a_100009815848_100010068014 [0,1,0,0,0,0|1,1,0]=3 3336 B15R1.4804 COc1c(ccnc1Cl)SC[C@@H](O)CO 62a_100010068014_100009815848 [0,1,0,0,0,0|1,1,0]=3 3337 B15R1.4804 COc1c(ccnc1N)SCC(O)CO 62a_100009880012_100011219619 [0,1,0,0,0,0|1,1,0]=3 3338 B15R1.4804 COc1c(ccnc1N)SCC(O)CO 62a_100011219619_100009880012 [0,1,0,0,0,0|1,1,0]=3 3339 B15R1.4804 COc1c(ccnc1N)SC[C@@H](C)CO 62a_100000059175_100009880012 [0,1,0,0,0,0|2,1,0]=4 3340 B15R1.4804 COc1c(ccnc1N)SC[C@@H](C)CO 62a_100009880012_100000059175 [0,1,0,0,0,0|2,1,0]=4 3341 B15R1.4804 COc1c(ccnc1N)SC[C@@H](O)CF 62a_100009880012_100015614560 [0,1,0,0,0,0|2,1,0]=4 3342 B15R1.4804 COc1c(ccnc1N)SC[C@@H](O)CF 62a_100015614560_100009880012 [0,1,0,0,0,0|2,1,0]=4 3343 B15R1.4804 COc1c(ccnc1N)SC[C@@H](O)CO 62a_100009815848_100009880012 [0,1,0,0,0,0|1,1,0]=3 3344 B15R1.4804 COc1c(ccnc1N)SC[C@@H](O)CO 62a_100009880012_100009815848 [0,1,0,0,0,0|1,1,0]=3 3345 B15R1.4804 COc1c(ccnc1SCC(O)CO)N 62a_100000104429_100011219619 [0,1,0,0,0,0|1,1,0]=3 3346 B15R1.4804 COc1c(ccnc1SCC(O)CO)N 62a_100011219619_100000104429 [0,1,0,0,0,0|1,1,0]=3 3347 B15R1.4804 COc1c(ccnc1SCC(O)CO)O 62a_100011219619_100000104430 [0,1,0,0,0,0|1,1,0]=3 3348 B15R1.4804 COc1c(ccnc1SC[C@@H](C)CO)N 62a_100000059175_100000104429 [0,1,0,0,0,0|2,1,0]=4 3349 B15R1.4804 COc1c(ccnc1SC[C@@H](C)CO)N 62a_100000104429_100000059175 [0,1,0,0,0,0|2,1,0]=4 3350 B15R1.4804 COc1c(ccnc1SC[C@@H](C)CO)O 62a_100000059175_100000104430 [0,1,0,0,0,0|2,1,0]=4 3351 B15R1.4804 COc1c(ccnc1SC[C@@H](O)CF)N 62a_100000104429_100015614560 [0,1,0,0,0,0|2,1,0]=4 3352 B15R1.4804 COc1c(ccnc1SC[C@@H](O)CF)N 62a_100015614560_100000104429 [0,1,0,0,0,0|2,1,0]=4 3353 B15R1.4804 COc1c(ccnc1SC[C@@H](O)CF)O 62a_100015614560_100000104430 [0,1,0,0,0,0|2,1,0]=4 3354 B15R1.4804 COc1c(ccnc1SC[C@@H](O)CO)N 62a_100000104429_100009815848 [0,1,0,0,0,0|1,1,0]=3 3355 B15R1.4804 COc1c(ccnc1SC[C@@H](O)CO)N 62a_100009815848_100000104429 [0,1,0,0,0,0|1,1,0]=3 3356 B15R1.4804 COc1c(ccnc1SC[C@@H](O)CO)O 62a_100009815848_100000104430 [0,1,0,0,0,0|1,1,0]=3 3357 B15R1.4804 COc1c(cncc1SCC(O)CO)N 62a_100011219619_100012359933 [0,1,0,0,0,0|1,1,0]=3 3358 B15R1.4804 COc1c(cncc1SCC(O)CO)N 62a_100012359933_100011219619 [0,1,0,0,0,0|1,1,0]=3 3359 B15R1.4804 COc1c(cncc1SC[C@@H](C)CO)N 62a_100000059175_100012359933 [0,1,0,0,0,0|2,1,0]=4 3360 B15R1.4804 COc1c(cncc1SC[C@@H](C)CO)N 62a_100012359933_100000059175 [0,1,0,0,0,0|2,1,0]=4 3361 B15R1.4804 COc1c(cncc1SC[C@@H](O)CF)N 62a_100012359933_100015614560 [0,1,0,0,0,0|2,1,0]=4 3362 B15R1.4804 COc1c(cncc1SC[C@@H](O)CF)N 62a_100015614560_100012359933 [0,1,0,0,0,0|2,1,0]=4 3363 B15R1.4804 COc1c(cncc1SC[C@@H](O)CO)N 62a_100009815848_100012359933 [0,1,0,0,0,0|1,1,0]=3 3364 B15R1.4804 COc1c(cncc1SC[C@@H](O)CO)N 62a_100012359933_100009815848 [0,1,0,0,0,0|1,1,0]=3 3365 B15R1.4804 COc1c(ncnc1NC[C@H](O)CO)N 27a_100020644852_100011998528 [0,1,0,0,0,0|3,0,0]=4 3366 B15R1.4804 COc1c(ncnc1SCC(O)CO)N 62a_100011219619_100011998528 [0,1,0,0,0,0|2,1,0]=4 3367 B15R1.4804 COc1c(ncnc1SCC(O)CO)N 62a_100011998528_100011219619 [0,1,0,0,0,0|2,1,0]=4 3368 B15R1.4804 COc1c(ncnc1SC[C@@H](O)CO)N 62a_100009815848_100011998528 [0,1,0,0,0,0|2,1,0]=4 3369 B15R1.4804 COc1c(ncnc1SC[C@@H](O)CO)N 62a_100011998528_100009815848 [0,1,0,0,0,0|2,1,0]=4 3370 B15R1.4804 CSc1c(cccc1OCC(O)CO)C 34a_200000099257_100011219619 [0,1,0,0,0,0|0,1,0]=2 3371 B15R1.4804 CSc1c(cccc1OCC(O)CO)C 7a_200000099257_100011219619 [0,1,0,0,0,0|0,1,0]=2 3372 B15R1.4804 CSc1c(cccc1OC[C@@H](C)CO)C 34a_200000099257_100000059175 [0,1,0,0,0,0|1,1,0]=3 3373 B15R1.4804 CSc1c(cccc1OC[C@@H](C)CO)C 7a_200000099257_100000059175 [0,1,0,0,0,0|1,1,0]=3 3374 B15R1.4804 CSc1c(cccc1OC[C@@H](O)CF)C 34a_200000099257_100015614560 [0,1,0,0,0,0|1,1,0]=3 3375 B15R1.4804 CSc1c(cccc1OC[C@@H](O)CF)C 7a_200000099257_100015614560 [0,1,0,0,0,0|1,1,0]=3 3376 B15R1.4804 CSc1c(cccc1OC[C@@H](O)CO)C 34a_200000099257_100009815848 [0,1,0,0,0,0|0,1,0]=2 3377 B15R1.4804 CSc1c(cccc1OC[C@@H](O)CO)C 7a_200000099257_100009815848 [0,1,0,0,0,0|0,1,0]=2 3378 B15R1.4804 CSc1c(cccc1SCC(O)CO)F 62a_100011219619_200010709249 [0,1,0,0,0,0|0,2,0]=3 3379 B15R1.4804 CSc1c(cccc1SCC(O)CO)F 62a_200010709249_100011219619 [0,1,0,0,0,0|0,2,0]=3 3380 B15R1.4804 CSc1c(cccc1SC[C@@H](C)CO)F 62a_100000059175_200010709249 [0,1,0,0,0,0|1,2,0]=4 3381 B15R1.4804 CSc1c(cccc1SC[C@@H](C)CO)F 62a_200010709249_100000059175 [0,1,0,0,0,0|1,2,0]=4 3382 B15R1.4804 CSc1c(cccc1SC[C@@H](O)CF)F 62a_100015614560_200010709249 [0,1,0,0,0,0|1,2,0]=4 3383 B15R1.4804 CSc1c(cccc1SC[C@@H](O)CF)F 62a_200010709249_100015614560 [0,1,0,0,0,0|1,2,0]=4 3384 B15R1.4804 CSc1c(cccc1SC[C@@H](O)CO)F 62a_100009815848_200010709249 [0,1,0,0,0,0|0,2,0]=3 3385 B15R1.4804 CSc1c(cccc1SC[C@@H](O)CO)F 62a_200010709249_100009815848 [0,1,0,0,0,0|0,2,0]=3 3386 B15R1.4804 C[C@@H](CO)COc1cccc(c1C#N)Br 34a_100012180507_100000059175 [0,1,0,0,0,0|3,0,0]=4 3387 B15R1.4804 C[C@@H](CO)COc1cccc(c1C#N)Br 7a_100012180507_100000059175 [0,1,0,0,0,0|3,0,0]=4 3388 B15R1.4804 C[C@@H](CO)COc1cccc(c1C#N)Cl 34a_100000764475_100000059175 [0,1,0,0,0,0|3,0,0]=4 3389 B15R1.4804 C[C@@H](CO)COc1cccc(c1C#N)Cl 7a_100000764475_100000059175 [0,1,0,0,0,0|3,0,0]=4 3390 B15R1.4804 C[C@@H](CO)COc1cccc(c1C#N)F 34a_100000741147_100000059175 [0,1,0,0,0,0|3,0,0]=4 3391 B15R1.4804 C[C@@H](CO)COc1cccc(c1C#N)F 7a_100000741147_100000059175 [0,1,0,0,0,0|3,0,0]=4 3392 B15R1.4804 Cc1cccc(c1C#N)NCC(O)CO 2230a_100000763283_100011219619 [0,1,0,0,0,0|3,0,0]=4 3393 B15R1.4804 Cc1cccc(c1C#N)NCC(O)CO 34a_100000763283_100011219619 [0,1,0,0,0,0|3,0,0]=4 3394 B15R1.4804 Cc1cccc(c1C#N)NCC(O)CO 7a_100000763283_100011219619 [0,1,0,0,0,0|3,0,0]=4 3395 B15R1.4804 Cc1cccc(c1C#N)NC[C@@H](O)CO 2230a_100000763283_100009815848 [0,1,0,0,0,0|3,0,0]=4 3396 B15R1.4804 Cc1cccc(c1C#N)NC[C@@H](O)CO 34a_100000763283_100009815848 [0,1,0,0,0,0|3,0,0]=4 3397 B15R1.4804 Cc1cccc(c1C#N)NC[C@@H](O)CO 7a_100000763283_100009815848 [0,1,0,0,0,0|3,0,0]=4 3398 B15R1.4804 Cc1cccc(c1C#N)OCC(O)CO 34a_100000079363_100011219619 [0,1,0,0,0,0|2,0,0]=3 3399 B15R1.4804 Cc1cccc(c1C#N)OCC(O)CO 7a_100000079363_100011219619 [0,1,0,0,0,0|2,0,0]=3 3400 B15R1.4804 Cc1cccc(c1C#N)OC[C@@H](C)CO 34a_100000079363_100000059175 [0,1,0,0,0,0|3,0,0]=4 3401 B15R1.4804 Cc1cccc(c1C#N)OC[C@@H](C)CO 7a_100000079363_100000059175 [0,1,0,0,0,0|3,0,0]=4 3402 B15R1.4804 Cc1cccc(c1C#N)OC[C@@H](O)CF 34a_100000079363_100015614560 [0,1,0,0,0,0|3,0,0]=4 3403 B15R1.4804 Cc1cccc(c1C#N)OC[C@@H](O)CF 7a_100000079363_100015614560 [0,1,0,0,0,0|3,0,0]=4 3404 B15R1.4804 Cc1cccc(c1C#N)OC[C@@H](O)CO 34a_100000079363_100009815848 [0,1,0,0,0,0|2,0,0]=3 3405 B15R1.4804 Cc1cccc(c1C#N)OC[C@@H](O)CO 7a_100000079363_100009815848 [0,1,0,0,0,0|2,0,0]=3 3406 B15R1.4804 Cc1cccc(c1C#N)SCC(O)CO 62a_100011219619_100009819585 [0,1,0,0,0,0|2,1,0]=4 3407 B15R1.4804 Cc1cccc(c1C#N)SC[C@@H](O)CO 62a_100009815848_100009819585 [0,1,0,0,0,0|2,1,0]=4 3408 B15R1.4804 Cc1cccc(c1C=O)SCC(O)CO 62a_100000041122_100011219619 [0,1,0,0,0,0|2,1,0]=4 3409 B15R1.4804 Cc1cccc(c1C=O)SCC(O)CO 62a_100011219619_100000041122 [0,1,0,0,0,0|2,1,0]=4 3410 B15R1.4804 Cc1cccc(c1C=O)SC[C@@H](O)CO 62a_100000041122_100009815848 [0,1,0,0,0,0|2,1,0]=4 3411 B15R1.4804 Cc1cccc(c1C=O)SC[C@@H](O)CO 62a_100009815848_100000041122 [0,1,0,0,0,0|2,1,0]=4 3412 B15R1.4804 Cc1cccc(c1CO)OCC(O)CO 34a_200009874777_100011219619 [0,1,0,0,0,0|2,0,0]=3 3413 B15R1.4804 Cc1cccc(c1CO)OCC(O)CO 7a_200009874777_100011219619 [0,1,0,0,0,0|2,0,0]=3 3414 B15R1.4804 Cc1cccc(c1CO)OC[C@@H](C)CO 34a_200009874777_100000059175 [0,1,0,0,0,0|3,0,0]=4 3415 B15R1.4804 Cc1cccc(c1CO)OC[C@@H](C)CO 7a_200009874777_100000059175 [0,1,0,0,0,0|3,0,0]=4 3416 B15R1.4804 Cc1cccc(c1CO)OC[C@@H](O)CF 34a_200009874777_100015614560 [0,1,0,0,0,0|3,0,0]=4 3417 B15R1.4804 Cc1cccc(c1CO)OC[C@@H](O)CF 7a_200009874777_100015614560 [0,1,0,0,0,0|3,0,0]=4 3418 B15R1.4804 Cc1cccc(c1CO)OC[C@@H](O)CO 34a_200009874777_100009815848 [0,1,0,0,0,0|2,0,0]=3 3419 B15R1.4804 Cc1cccc(c1CO)OC[C@@H](O)CO 7a_200009874777_100009815848 [0,1,0,0,0,0|2,0,0]=3 3420 B15R1.4804 N#Cc1c(cccc1NCC(O)CO)Br 7a_100011935054_100011219619 [0,1,0,0,0,0|3,0,0]=4 3421 B15R1.4804 N#Cc1c(cccc1NCC(O)CO)Cl 2230a_100000236969_100011219619 [0,1,0,0,0,0|3,0,0]=4 3422 B15R1.4804 N#Cc1c(cccc1NCC(O)CO)Cl 7a_100000236969_100011219619 [0,1,0,0,0,0|3,0,0]=4 3423 B15R1.4804 N#Cc1c(cccc1NCC(O)CO)F 2230a_100000236971_100011219619 [0,1,0,0,0,0|3,0,0]=4 3424 B15R1.4804 N#Cc1c(cccc1NCC(O)CO)F 34a_100000236971_100011219619 [0,1,0,0,0,0|3,0,0]=4 3425 B15R1.4804 N#Cc1c(cccc1NCC(O)CO)F 7a_100000236971_100011219619 [0,1,0,0,0,0|3,0,0]=4 3426 B15R1.4804 N#Cc1c(cccc1NC[C@@H](O)CO)Br 7a_100011935054_100009815848 [0,1,0,0,0,0|3,0,0]=4 3427 B15R1.4804 N#Cc1c(cccc1NC[C@@H](O)CO)Cl 2230a_100000236969_100009815848 [0,1,0,0,0,0|3,0,0]=4 3428 B15R1.4804 N#Cc1c(cccc1NC[C@@H](O)CO)Cl 7a_100000236969_100009815848 [0,1,0,0,0,0|3,0,0]=4 3429 B15R1.4804 N#Cc1c(cccc1NC[C@@H](O)CO)F 2230a_100000236971_100009815848 [0,1,0,0,0,0|3,0,0]=4 3430 B15R1.4804 N#Cc1c(cccc1NC[C@@H](O)CO)F 34a_100000236971_100009815848 [0,1,0,0,0,0|3,0,0]=4 3431 B15R1.4804 N#Cc1c(cccc1NC[C@@H](O)CO)F 7a_100000236971_100009815848 [0,1,0,0,0,0|3,0,0]=4 3432 B15R1.4804 N#Cc1c(cccc1NC[C@H](O)CO)Br 27a_100020644852_100010071968 [0,1,0,0,0,0|3,0,0]=4 3433 B15R1.4804 N#Cc1c(cccc1NC[C@H](O)CO)Cl 27a_100020644852_200000049503 [0,1,0,0,0,0|3,0,0]=4 3434 B15R1.4804 N#Cc1c(cccc1NC[C@H](O)CO)F 27a_100020644852_100000039607 [0,1,0,0,0,0|3,0,0]=4 3435 B15R1.4804 N#Cc1c(cccc1OCC(O)CO)Br 34a_100012180507_100011219619 [0,1,0,0,0,0|2,0,0]=3 3436 B15R1.4804 N#Cc1c(cccc1OCC(O)CO)Br 7a_100012180507_100011219619 [0,1,0,0,0,0|2,0,0]=3 3437 B15R1.4804 N#Cc1c(cccc1OCC(O)CO)Cl 34a_100000764475_100011219619 [0,1,0,0,0,0|2,0,0]=3 3438 B15R1.4804 N#Cc1c(cccc1OCC(O)CO)Cl 7a_100000764475_100011219619 [0,1,0,0,0,0|2,0,0]=3 3439 B15R1.4804 N#Cc1c(cccc1OCC(O)CO)F 34a_100000741147_100011219619 [0,1,0,0,0,0|2,0,0]=3 3440 B15R1.4804 N#Cc1c(cccc1OCC(O)CO)F 7a_100000741147_100011219619 [0,1,0,0,0,0|2,0,0]=3 3441 B15R1.4804 N#Cc1c(cccc1OC[C@@H](O)CF)Br 34a_100012180507_100015614560 [0,1,0,0,0,0|3,0,0]=4 3442 B15R1.4804 N#Cc1c(cccc1OC[C@@H](O)CF)Br 7a_100012180507_100015614560 [0,1,0,0,0,0|3,0,0]=4 3443 B15R1.4804 N#Cc1c(cccc1OC[C@@H](O)CF)Cl 34a_100000764475_100015614560 [0,1,0,0,0,0|3,0,0]=4 3444 B15R1.4804 N#Cc1c(cccc1OC[C@@H](O)CF)Cl 7a_100000764475_100015614560 [0,1,0,0,0,0|3,0,0]=4 3445 B15R1.4804 N#Cc1c(cccc1OC[C@@H](O)CF)F 34a_100000741147_100015614560 [0,1,0,0,0,0|3,0,0]=4 3446 B15R1.4804 N#Cc1c(cccc1OC[C@@H](O)CF)F 7a_100000741147_100015614560 [0,1,0,0,0,0|3,0,0]=4 3447 B15R1.4804 N#Cc1c(cccc1OC[C@@H](O)CO)Br 34a_100012180507_100009815848 [0,1,0,0,0,0|2,0,0]=3 3448 B15R1.4804 N#Cc1c(cccc1OC[C@@H](O)CO)Br 7a_100012180507_100009815848 [0,1,0,0,0,0|2,0,0]=3 3449 B15R1.4804 N#Cc1c(cccc1OC[C@@H](O)CO)Cl 34a_100000764475_100009815848 [0,1,0,0,0,0|2,0,0]=3 3450 B15R1.4804 N#Cc1c(cccc1OC[C@@H](O)CO)Cl 7a_100000764475_100009815848 [0,1,0,0,0,0|2,0,0]=3 3451 B15R1.4804 N#Cc1c(cccc1OC[C@@H](O)CO)F 34a_100000741147_100009815848 [0,1,0,0,0,0|2,0,0]=3 3452 B15R1.4804 N#Cc1c(cccc1OC[C@@H](O)CO)F 7a_100000741147_100009815848 [0,1,0,0,0,0|2,0,0]=3 3453 B15R1.4804 N#Cc1c(cccc1SCC(O)CO)Br 62a_100010071968_100011219619 [0,1,0,0,0,0|2,1,0]=4 3454 B15R1.4804 N#Cc1c(cccc1SCC(O)CO)Br 62a_100011219619_100010071968 [0,1,0,0,0,0|2,1,0]=4 3455 B15R1.4804 N#Cc1c(cccc1SCC(O)CO)Cl 62a_100011219619_200000049503 [0,1,0,0,0,0|2,1,0]=4 3456 B15R1.4804 N#Cc1c(cccc1SCC(O)CO)F 62a_100011219619_100000039607 [0,1,0,0,0,0|2,1,0]=4 3457 B15R1.4804 N#Cc1c(cccc1SCC(O)CO)N 62a_100011219619_100011935054 [0,1,0,0,0,0|2,1,0]=4 3458 B15R1.4804 N#Cc1c(cccc1SCC(O)CO)O 62a_100011219619_100012180507 [0,1,0,0,0,0|2,1,0]=4 3459 B15R1.4804 N#Cc1c(cccc1SC[C@@H](O)CO)Br 62a_100009815848_100010071968 [0,1,0,0,0,0|2,1,0]=4 3460 B15R1.4804 N#Cc1c(cccc1SC[C@@H](O)CO)Br 62a_100010071968_100009815848 [0,1,0,0,0,0|2,1,0]=4 3461 B15R1.4804 N#Cc1c(cccc1SC[C@@H](O)CO)Cl 62a_100009815848_200000049503 [0,1,0,0,0,0|2,1,0]=4 3462 B15R1.4804 N#Cc1c(cccc1SC[C@@H](O)CO)F 62a_100009815848_100000039607 [0,1,0,0,0,0|2,1,0]=4 3463 B15R1.4804 N#Cc1c(cccc1SC[C@@H](O)CO)N 62a_100009815848_100011935054 [0,1,0,0,0,0|2,1,0]=4 3464 B15R1.4804 N#Cc1c(cccc1SC[C@@H](O)CO)O 62a_100009815848_100012180507 [0,1,0,0,0,0|2,1,0]=4 3465 B15R1.4804 NCc1c(cccc1SCC(O)CO)F 62a_100011219619_100012349121 [0,1,0,0,0,0|2,1,0]=4 3466 B15R1.4804 NCc1c(cccc1SCC(O)CO)F 62a_100012349121_100011219619 [0,1,0,0,0,0|2,1,0]=4 3467 B15R1.4804 NCc1c(cccc1SC[C@@H](O)CO)F 62a_100009815848_100012349121 [0,1,0,0,0,0|2,1,0]=4 3468 B15R1.4804 NCc1c(cccc1SC[C@@H](O)CO)F 62a_100012349121_100009815848 [0,1,0,0,0,0|2,1,0]=4 3469 B15R1.4804 NNc1c(cccc1SCC(O)CO)F 62a_100011219619_100016994982 [0,1,0,0,0,0|2,1,0]=4 3470 B15R1.4804 NNc1c(cccc1SCC(O)CO)F 62a_100016994982_100011219619 [0,1,0,0,0,0|2,1,0]=4 3471 B15R1.4804 NNc1c(cccc1SC[C@@H](O)CO)F 62a_100009815848_100016994982 [0,1,0,0,0,0|2,1,0]=4 3472 B15R1.4804 NNc1c(cccc1SC[C@@H](O)CO)F 62a_100016994982_100009815848 [0,1,0,0,0,0|2,1,0]=4 3473 B15R1.4804 Nc1cccc(c1C=O)SCC(O)CO 62a_100010232536_100011219619 [0,1,0,0,0,0|2,1,0]=4 3474 B15R1.4804 Nc1cccc(c1C=O)SC[C@@H](O)CO 62a_100010232536_100009815848 [0,1,0,0,0,0|2,1,0]=4 3475 B15R1.4804 Nc1cccc(c1CO)SCC(O)CO 62a_100000747656_100011219619 [0,1,0,0,0,0|2,1,0]=4 3476 B15R1.4804 Nc1cccc(c1CO)SCC(O)CO 62a_100011219619_100000747656 [0,1,0,0,0,0|2,1,0]=4 3477 B15R1.4804 Nc1cccc(c1CO)SC[C@@H](O)CO 62a_100000747656_100009815848 [0,1,0,0,0,0|2,1,0]=4 3478 B15R1.4804 Nc1cccc(c1CO)SC[C@@H](O)CO 62a_100009815848_100000747656 [0,1,0,0,0,0|2,1,0]=4 3479 B15R1.4804 O=Cc1c(cccc1SCC(O)CO)Cl 62a_100010147682_100011219619 [0,1,0,0,0,0|2,1,0]=4 3480 B15R1.4804 O=Cc1c(cccc1SCC(O)CO)Cl 62a_100011219619_100010147682 [0,1,0,0,0,0|2,1,0]=4 3481 B15R1.4804 O=Cc1c(cccc1SCC(O)CO)F 62a_100000210083_100011219619 [0,1,0,0,0,0|2,1,0]=4 3482 B15R1.4804 O=Cc1c(cccc1SCC(O)CO)F 62a_100011219619_100000210083 [0,1,0,0,0,0|2,1,0]=4 3483 B15R1.4804 O=Cc1c(cccc1SCC(O)CO)O 62a_100011219619_100010193437 [0,1,0,0,0,0|2,1,0]=4 3484 B15R1.4804 O=Cc1c(cccc1SC[C@@H](O)CO)Cl 62a_100009815848_100010147682 [0,1,0,0,0,0|2,1,0]=4 3485 B15R1.4804 O=Cc1c(cccc1SC[C@@H](O)CO)Cl 62a_100010147682_100009815848 [0,1,0,0,0,0|2,1,0]=4 3486 B15R1.4804 O=Cc1c(cccc1SC[C@@H](O)CO)F 62a_100000210083_100009815848 [0,1,0,0,0,0|2,1,0]=4 3487 B15R1.4804 O=Cc1c(cccc1SC[C@@H](O)CO)F 62a_100009815848_100000210083 [0,1,0,0,0,0|2,1,0]=4 3488 B15R1.4804 O=Cc1c(cccc1SC[C@@H](O)CO)O 62a_100009815848_100010193437 [0,1,0,0,0,0|2,1,0]=4 3489 B15R1.4804 OCc1c(cccc1NCC(O)CO)Br 34a_100000747656_100011219619 [0,1,0,0,0,0|3,0,0]=4 3490 B15R1.4804 OCc1c(cccc1NCC(O)CO)Cl 34a_100011916388_100011219619 [0,1,0,0,0,0|3,0,0]=4 3491 B15R1.4804 OCc1c(cccc1NCC(O)CO)F 34a_100011846719_100011219619 [0,1,0,0,0,0|3,0,0]=4 3492 B15R1.4804 OCc1c(cccc1NC[C@@H](O)CO)Br 34a_100000747656_100009815848 [0,1,0,0,0,0|3,0,0]=4 3493 B15R1.4804 OCc1c(cccc1NC[C@@H](O)CO)Cl 34a_100011916388_100009815848 [0,1,0,0,0,0|3,0,0]=4 3494 B15R1.4804 OCc1c(cccc1NC[C@@H](O)CO)F 34a_100011846719_100009815848 [0,1,0,0,0,0|3,0,0]=4 3495 B15R1.4804 OCc1c(cccc1SCC(O)CO)F 62a_100011219619_100012355691 [0,1,0,0,0,0|2,1,0]=4 3496 B15R1.4804 OCc1c(cccc1SCC(O)CO)F 62a_100012355691_100011219619 [0,1,0,0,0,0|2,1,0]=4 3497 B15R1.4804 OCc1c(cccc1SC[C@@H](O)CO)F 62a_100009815848_100012355691 [0,1,0,0,0,0|2,1,0]=4 3498 B15R1.4804 OCc1c(cccc1SC[C@@H](O)CO)F 62a_100012355691_100009815848 [0,1,0,0,0,0|2,1,0]=4 3499 B15R1.12623 C=CC(O)CN(C)c1ccccc1OC 2230a_100000219746_100000730141 [0,1,0,0,0,0|2,0,1]=4 3500 B15R1.12623 C=CC(O)CN(C)c1ccccc1OC 34a_100000219746_100000730141 [0,1,0,0,0,0|2,0,1]=4 3501 B15R1.12623 CCC(C)CC(=O)c1ccccc1OC 1458a_100000185835_100000748023 [0,1,0,0,0,0|3,0,0]=4 3502 B15R1.12623 CCC(C)CN(C)c1ccccc1OC 2230a_100000219746_100000748023 [0,1,0,0,0,0|3,0,0]=4 3503 B15R1.12623 CCC(C)CN(C)c1ccccc1OC 269982a_100000219746_100000748023 [0,1,0,0,0,0|3,0,0]=4 3504 B15R1.12623 CCC(C)CN(C)c1ccccc1OC 34a_100000219746_100000748023 [0,1,0,0,0,0|3,0,0]=4 3505 B15R1.12623 CCC(O)CC(=O)c1ccccc1OC 1458a_100000185835_100011218378 [0,1,0,0,0,0|2,0,0]=3 3506 B15R1.12623 CCC(O)CC(=O)c1ccccc1SC 1458a_100000183967_100011218378 [0,1,0,0,0,0|2,1,0]=4 3507 B15R1.12623 CCC(O)CN(C)c1ccccc1OC 2230a_100000219746_100011218378 [0,1,0,0,0,0|2,0,0]=3 3508 B15R1.12623 CCC(O)CN(C)c1ccccc1OC 269982a_100000219746_100011218378 [0,1,0,0,0,0|2,0,0]=3 3509 B15R1.12623 CCC(O)CN(C)c1ccccc1OC 34a_100000219746_100011218378 [0,1,0,0,0,0|2,0,0]=3 3510 B15R1.12623 CC[C@H](C)CC(=O)c1ccccc1OC 1458a_100000185835_100009816398 [0,1,0,0,0,0|3,0,0]=4 3511 B15R1.12623 CC[C@H](C)CN(C)c1ccccc1OC 2230a_100000219746_100009816398 [0,1,0,0,0,0|3,0,0]=4 3512 B15R1.12623 CC[C@H](C)CN(C)c1ccccc1OC 269982a_100000219746_100009816398 [0,1,0,0,0,0|3,0,0]=4 3513 B15R1.12623 CC[C@H](C)CN(C)c1ccccc1OC 34a_100000219746_100009816398 [0,1,0,0,0,0|3,0,0]=4 3514 B15R1.12623 CCc1ccccc1C(=O)CC(O)CC 1458a_100000689120_100011218378 [0,1,0,0,0,0|3,0,0]=4 3515 B15R1.12623 CCc1ccccc1C(=O)C[C@@H](C)CO 1458a_100000689120_100000059175 [0,1,0,0,0,0|3,0,0]=4 3516 B15R1.12623 CN(CC(O)CO)c1ccccc1C#N 2230a_100000744078_100011219619 [0,1,0,0,0,0|3,0,0]=4 3517 B15R1.12623 CN(C[C@@H](O)CO)c1ccccc1C#N 2230a_100000744078_100009815848 [0,1,0,0,0,0|3,0,0]=4 3518 B15R1.12623 COc1ccccc1C(=O)CC(=O)CO 1458a_100000210174_100000195505 [0,1,0,0,0,0|1,0,2]=4 3519 B15R1.12623 COc1ccccc1C(=O)C[C@@H](C)CO 1458a_100000185835_100000059175 [0,1,0,0,0,0|2,0,0]=3 3520 B15R1.12623 COc1ccccc1C(=O)N[C@H](C)CO 240690a_100000737577_100000185835 [0,1,0,0,0,0|3,0,0]=4 3521 B15R1.12623 COc1ccccc1C(=O)N[C@H](C)CO 527a_100000737577_100000185835 [0,1,0,0,0,0|3,0,0]=4 3522 B15R1.12623 COc1ccccc1C(C)NC(C)CO 2230a_100000185323_100012180447 [0,1,0,0,0,0|3,0,0]=4 3523 B15R1.12623 COc1ccccc1C(C)N[C@H](C)CO 269862a_100000737577_100000173324 [0,1,0,0,0,0|3,0,0]=4 3524 B15R1.12623 COc1ccccc1C(C)OC(C)CO 7a_100000742714_100012180447 [0,1,0,0,0,0|3,0,0]=4 3525 B15R1.12623 COc1ccccc1N(C)CC(O)CO 2230a_100000219746_100011219619 [0,1,0,0,0,0|1,0,0]=2 3526 B15R1.12623 COc1ccccc1N(C)CC(O)CO 34a_100000219746_100011219619 [0,1,0,0,0,0|1,0,0]=2 3527 B15R1.12623 COc1ccccc1N(C)C[C@@H](C)CO 2230a_100000219746_100000059175 [0,1,0,0,0,0|2,0,0]=3 3528 B15R1.12623 COc1ccccc1N(C)C[C@@H](C)CO 269982a_100000219746_100000059175 [0,1,0,0,0,0|2,0,0]=3 3529 B15R1.12623 COc1ccccc1N(C)C[C@@H](C)CO 34a_100000219746_100000059175 [0,1,0,0,0,0|2,0,0]=3 3530 B15R1.12623 COc1ccccc1N(C)C[C@@H](O)CF 2230a_100000219746_100015614560 [0,1,0,0,0,0|2,0,0]=3 3531 B15R1.12623 COc1ccccc1N(C)C[C@@H](O)CF 34a_100000219746_100015614560 [0,1,0,0,0,0|2,0,0]=3 3532 B15R1.12623 COc1ccccc1N(C)C[C@@H](O)CO 2230a_100000219746_100009815848 [0,1,0,0,0,0|1,0,0]=2 3533 B15R1.12623 COc1ccccc1N(C)C[C@@H](O)CO 34a_100000219746_100009815848 [0,1,0,0,0,0|1,0,0]=2 3534 B15R1.12623 COc1cncnc1N(C)CC(O)CO 27a_100011216503_100012001275 [0,1,0,0,0,0|3,0,0]=4 3535 B15R1.12623 COc1nccnc1N(C)CC(O)CO 27a_100011216503_100009858322 [0,1,0,0,0,0|3,0,0]=4 3536 B15R1.12623 CSc1ccccc1C(=O)C[C@@H](C)CO 1458a_100000183967_100000059175 [0,1,0,0,0,0|2,1,0]=4 3537 B15R1.12847 C=CC(O)CNc1cc(ccc1OC)Br 34a_100000743470_100000730141 [0,1,0,0,0,0|2,0,1]=4 3538 B15R1.12847 C=CC(O)CNc1cc(ccc1OC)C 2230a_100000210980_100000730141 [0,1,0,0,0,0|2,0,1]=4 3539 B15R1.12847 C=CC(O)CNc1cc(ccc1OC)C 34a_100000210980_100000730141 [0,1,0,0,0,0|2,0,1]=4 3540 B15R1.12847 C=CC(O)CNc1cc(ccc1OC)Cl 34a_100000182114_100000730141 [0,1,0,0,0,0|2,0,1]=4 3541 B15R1.12847 C=CC(O)CNc1cc(ccc1OC)F 34a_100000757179_100000730141 [0,1,0,0,0,0|2,0,1]=4 3542 B15R1.12847 C=CC(O)COc1cc(ccc1OC)Br 34a_100009816560_100000730141 [0,1,0,0,0,0|1,0,1]=3 3543 B15R1.12847 C=CC(O)COc1cc(ccc1OC)Br 7a_100009816560_100000730141 [0,1,0,0,0,0|1,0,1]=3 3544 B15R1.12847 C=CC(O)COc1cc(ccc1OC)C 34a_100011216497_100000730141 [0,1,0,0,0,0|1,0,1]=3 3545 B15R1.12847 C=CC(O)COc1cc(ccc1OC)C 7a_100011216497_100000730141 [0,1,0,0,0,0|1,0,1]=3 3546 B15R1.12847 C=CC(O)COc1cc(ccc1OC)Cl 34a_100000101779_100000730141 [0,1,0,0,0,0|1,0,1]=3 3547 B15R1.12847 C=CC(O)COc1cc(ccc1OC)Cl 7a_100000101779_100000730141 [0,1,0,0,0,0|1,0,1]=3 3548 B15R1.12847 C=CC(O)COc1cc(ccc1OC)F 34a_100000034962_100000730141 [0,1,0,0,0,0|1,0,1]=3 3549 B15R1.12847 C=CC(O)COc1cc(ccc1OC)F 7a_100000034962_100000730141 [0,1,0,0,0,0|1,0,1]=3 3550 B15R1.12847 C=CC(O)COc1cc(ccc1OC)N 34a_100000211920_100000730141 [0,1,0,0,0,0|1,0,1]=3 3551 B15R1.12847 C=CC(O)COc1cc(cnc1OC)Br 34a_100010135713_100000730141 [0,1,0,0,0,0|2,0,1]=4 3552 B15R1.12847 C=CC(O)COc1cc(ncc1OC)Br 34a_100010264082_100000730141 [0,1,0,0,0,0|2,0,1]=4 3553 B15R1.12847 C=CC(O)COc1cc(ncc1OC)Cl 34a_100009849459_100000730141 [0,1,0,0,0,0|2,0,1]=4 3554 B15R1.12847 C=CC(O)CSc1cc(ccc1OC)Br 62a_100000730141_100012351588 [0,1,0,0,0,0|1,1,1]=4 3555 B15R1.12847 C=CC(O)CSc1cc(ccc1OC)Br 62a_100012351588_100000730141 [0,1,0,0,0,0|1,1,1]=4 3556 B15R1.12847 C=CC(O)CSc1cc(ccc1OC)C 62a_100000186399_100000730141 [0,1,0,0,0,0|1,1,1]=4 3557 B15R1.12847 C=CC(O)CSc1cc(ccc1OC)C 62a_100000730141_100000186399 [0,1,0,0,0,0|1,1,1]=4 3558 B15R1.12847 C=CC(O)CSc1cc(ccc1OC)Cl 62a_100000730141_100011215930 [0,1,0,0,0,0|1,1,1]=4 3559 B15R1.12847 C=CC(O)CSc1cc(ccc1OC)Cl 62a_100011215930_100000730141 [0,1,0,0,0,0|1,1,1]=4 3560 B15R1.12847 C=CC(O)CSc1cc(ccc1OC)F 62a_100000171694_100000730141 [0,1,0,0,0,0|1,1,1]=4 3561 B15R1.12847 C=CC(O)CSc1cc(ccc1OC)F 62a_100000730141_100000171694 [0,1,0,0,0,0|1,1,1]=4 3562 B15R1.12847 C=CC(O)CSc1cc(ccc1OC)N 62a_100000730141_100011356947 [0,1,0,0,0,0|1,1,1]=4 3563 B15R1.12847 C=CC(O)CSc1cc(ccc1OC)N 62a_100011356947_100000730141 [0,1,0,0,0,0|1,1,1]=4 3564 B15R1.12847 C=CC(O)CSc1cc(ccc1OC)O 62a_100000730141_100010234764 [0,1,0,0,0,0|1,1,1]=4 3565 B15R1.12847 C=CC(O)CSc1cc(ccc1OC)O 62a_100010234764_100000730141 [0,1,0,0,0,0|1,1,1]=4 3566 B15R1.12847 C=Cc1ccc(cc1SCC(O)CO)F 62a_100011219619_100012354420 [0,1,0,0,0,0|1,1,1]=4 3567 B15R1.12847 C=Cc1ccc(cc1SCC(O)CO)F 62a_100012354420_100011219619 [0,1,0,0,0,0|1,1,1]=4 3568 B15R1.12847 C=Cc1ccc(cc1SC[C@@H](O)CO)F 62a_100009815848_100012354420 [0,1,0,0,0,0|1,1,1]=4 3569 B15R1.12847 C=Cc1ccc(cc1SC[C@@H](O)CO)F 62a_100012354420_100009815848 [0,1,0,0,0,0|1,1,1]=4 3570 B15R1.12847 CCC(=O)COc1cc(ccc1OC)Br 7a_100009816560_100000747405 [0,1,0,0,0,0|1,0,2]=4 3571 B15R1.12847 CCC(=O)COc1cc(ccc1OC)C 7a_100011216497_100000747405 [0,1,0,0,0,0|1,0,2]=4 3572 B15R1.12847 CCC(=O)COc1cc(ccc1OC)Cl 7a_100000101779_100000747405 [0,1,0,0,0,0|1,0,2]=4 3573 B15R1.12847 CCC(=O)COc1cc(ccc1OC)F 7a_100000034962_100000747405 [0,1,0,0,0,0|1,0,2]=4 3574 B15R1.12847 CCC(C)CNc1cc(ccc1OC)Br 34a_100000743470_100000748023 [0,1,0,0,0,0|3,0,0]=4 3575 B15R1.12847 CCC(C)CNc1cc(ccc1OC)C 2230a_100000210980_100000748023 [0,1,0,0,0,0|3,0,0]=4 3576 B15R1.12847 CCC(C)CNc1cc(ccc1OC)C 34a_100000210980_100000748023 [0,1,0,0,0,0|3,0,0]=4 3577 B15R1.12847 CCC(C)CNc1cc(ccc1OC)Cl 34a_100000182114_100000748023 [0,1,0,0,0,0|3,0,0]=4 3578 B15R1.12847 CCC(C)CNc1cc(ccc1OC)F 34a_100000757179_100000748023 [0,1,0,0,0,0|3,0,0]=4 3579 B15R1.12847 CCC(C)COc1cc(ccc1OC)Br 34a_100009816560_100000748023 [0,1,0,0,0,0|2,0,0]=3 3580 B15R1.12847 CCC(C)COc1cc(ccc1OC)Br 7a_100009816560_100000748023 [0,1,0,0,0,0|2,0,0]=3 3581 B15R1.12847 CCC(C)COc1cc(ccc1OC)C 34a_100011216497_100000748023 [0,1,0,0,0,0|2,0,0]=3 3582 B15R1.12847 CCC(C)COc1cc(ccc1OC)C 7a_100011216497_100000748023 [0,1,0,0,0,0|2,0,0]=3 3583 B15R1.12847 CCC(C)COc1cc(ccc1OC)Cl 34a_100000101779_100000748023 [0,1,0,0,0,0|2,0,0]=3 3584 B15R1.12847 CCC(C)COc1cc(ccc1OC)Cl 7a_100000101779_100000748023 [0,1,0,0,0,0|2,0,0]=3 3585 B15R1.12847 CCC(C)COc1cc(ccc1OC)F 34a_100000034962_100000748023 [0,1,0,0,0,0|2,0,0]=3 3586 B15R1.12847 CCC(C)COc1cc(ccc1OC)F 7a_100000034962_100000748023 [0,1,0,0,0,0|2,0,0]=3 3587 B15R1.12847 CCC(C)COc1cc(ccc1OC)N 34a_100000211920_100000748023 [0,1,0,0,0,0|2,0,0]=3 3588 B15R1.12847 CCC(C)COc1cc(cnc1OC)Br 34a_100010135713_100000748023 [0,1,0,0,0,0|3,0,0]=4 3589 B15R1.12847 CCC(C)COc1cc(ncc1OC)Br 34a_100010264082_100000748023 [0,1,0,0,0,0|3,0,0]=4 3590 B15R1.12847 CCC(C)COc1cc(ncc1OC)Cl 34a_100009849459_100000748023 [0,1,0,0,0,0|3,0,0]=4 3591 B15R1.12847 CCC(C)CSc1cc(ccc1OC)Br 62a_100000748023_100012351588 [0,1,0,0,0,0|2,1,0]=4 3592 B15R1.12847 CCC(C)CSc1cc(ccc1OC)Br 62a_100012351588_100000748023 [0,1,0,0,0,0|2,1,0]=4 3593 B15R1.12847 CCC(C)CSc1cc(ccc1OC)C 62a_100000186399_100000748023 [0,1,0,0,0,0|2,1,0]=4 3594 B15R1.12847 CCC(C)CSc1cc(ccc1OC)C 62a_100000748023_100000186399 [0,1,0,0,0,0|2,1,0]=4 3595 B15R1.12847 CCC(C)CSc1cc(ccc1OC)Cl 62a_100000748023_100011215930 [0,1,0,0,0,0|2,1,0]=4 3596 B15R1.12847 CCC(C)CSc1cc(ccc1OC)Cl 62a_100011215930_100000748023 [0,1,0,0,0,0|2,1,0]=4 3597 B15R1.12847 CCC(C)CSc1cc(ccc1OC)F 62a_100000171694_100000748023 [0,1,0,0,0,0|2,1,0]=4 3598 B15R1.12847 CCC(C)CSc1cc(ccc1OC)F 62a_100000748023_100000171694 [0,1,0,0,0,0|2,1,0]=4 3599 B15R1.12847 CCC(C)CSc1cc(ccc1OC)N 62a_100000748023_100011356947 [0,1,0,0,0,0|2,1,0]=4 3600 B15R1.12847 CCC(C)CSc1cc(ccc1OC)N 62a_100011356947_100000748023 [0,1,0,0,0,0|2,1,0]=4 3601 B15R1.12847 CCC(C)CSc1cc(ccc1OC)O 62a_100000748023_100010234764 [0,1,0,0,0,0|2,1,0]=4 3602 B15R1.12847 CCC(C)CSc1cc(ccc1OC)O 62a_100010234764_100000748023 [0,1,0,0,0,0|2,1,0]=4 3603 B15R1.12847 CCC(O)CNc1cc(ccc1OC)Br 34a_100000743470_100011218378 [0,1,0,0,0,0|2,0,0]=3 3604 B15R1.12847 CCC(O)CNc1cc(ccc1OC)C 2230a_100000210980_100011218378 [0,1,0,0,0,0|2,0,0]=3 3605 B15R1.12847 CCC(O)CNc1cc(ccc1OC)C 34a_100000210980_100011218378 [0,1,0,0,0,0|2,0,0]=3 3606 B15R1.12847 CCC(O)CNc1cc(ccc1OC)Cl 34a_100000182114_100011218378 [0,1,0,0,0,0|2,0,0]=3 3607 B15R1.12847 CCC(O)CNc1cc(ccc1OC)F 34a_100000757179_100011218378 [0,1,0,0,0,0|2,0,0]=3 3608 B15R1.12847 CCC(O)CNc1cc(ccc1SC)Cl 34a_100000745667_100011218378 [0,1,0,0,0,0|2,1,0]=4 3609 B15R1.12847 CCC(O)COc1cc(ccc1C#N)Br 34a_100011934713_100011218378 [0,1,0,0,0,0|3,0,0]=4 3610 B15R1.12847 CCC(O)COc1cc(ccc1C#N)Br 7a_100011934713_100011218378 [0,1,0,0,0,0|3,0,0]=4 3611 B15R1.12847 CCC(O)COc1cc(ccc1C#N)C 34a_100011640519_100011218378 [0,1,0,0,0,0|3,0,0]=4 3612 B15R1.12847 CCC(O)COc1cc(ccc1C#N)C 7a_100011640519_100011218378 [0,1,0,0,0,0|3,0,0]=4 3613 B15R1.12847 CCC(O)COc1cc(ccc1C#N)Cl 34a_100000688488_100011218378 [0,1,0,0,0,0|3,0,0]=4 3614 B15R1.12847 CCC(O)COc1cc(ccc1C#N)Cl 7a_100000688488_100011218378 [0,1,0,0,0,0|3,0,0]=4 3615 B15R1.12847 CCC(O)COc1cc(ccc1C#N)F 34a_100012185923_100011218378 [0,1,0,0,0,0|3,0,0]=4 3616 B15R1.12847 CCC(O)COc1cc(ccc1C#N)F 7a_100012185923_100011218378 [0,1,0,0,0,0|3,0,0]=4 3617 B15R1.12847 CCC(O)COc1cc(ccc1C#N)N 34a_100000094571_100011218378 [0,1,0,0,0,0|3,0,0]=4 3618 B15R1.12847 CCC(O)COc1cc(ccc1C#N)N 7a_100000094571_100011218378 [0,1,0,0,0,0|3,0,0]=4 3619 B15R1.12847 CCC(O)COc1cc(ccc1CO)Br 34a_100000071718_100011218378 [0,1,0,0,0,0|3,0,0]=4 3620 B15R1.12847 CCC(O)COc1cc(ccc1CO)Br 7a_100000071718_100011218378 [0,1,0,0,0,0|3,0,0]=4 3621 B15R1.12847 CCC(O)COc1cc(ccc1OC)Br 34a_100009816560_100011218378 [0,1,0,0,0,0|1,0,0]=2 3622 B15R1.12847 CCC(O)COc1cc(ccc1OC)Br 7a_100009816560_100011218378 [0,1,0,0,0,0|1,0,0]=2 3623 B15R1.12847 CCC(O)COc1cc(ccc1OC)C 34a_100011216497_100011218378 [0,1,0,0,0,0|1,0,0]=2 3624 B15R1.12847 CCC(O)COc1cc(ccc1OC)C 7a_100011216497_100011218378 [0,1,0,0,0,0|1,0,0]=2 3625 B15R1.12847 CCC(O)COc1cc(ccc1OC)Cl 34a_100000101779_100011218378 [0,1,0,0,0,0|1,0,0]=2 3626 B15R1.12847 CCC(O)COc1cc(ccc1OC)Cl 7a_100000101779_100011218378 [0,1,0,0,0,0|1,0,0]=2 3627 B15R1.12847 CCC(O)COc1cc(ccc1OC)F 34a_100000034962_100011218378 [0,1,0,0,0,0|1,0,0]=2 3628 B15R1.12847 CCC(O)COc1cc(ccc1OC)F 7a_100000034962_100011218378 [0,1,0,0,0,0|1,0,0]=2 3629 B15R1.12847 CCC(O)COc1cc(ccc1OC)N 34a_100000211920_100011218378 [0,1,0,0,0,0|1,0,0]=2 3630 B15R1.12847 CCC(O)COc1cc(cnc1OC)Br 34a_100010135713_100011218378 [0,1,0,0,0,0|2,0,0]=3 3631 B15R1.12847 CCC(O)COc1cc(ncc1OC)Br 34a_100010264082_100011218378 [0,1,0,0,0,0|2,0,0]=3 3632 B15R1.12847 CCC(O)COc1cc(ncc1OC)Cl 34a_100009849459_100011218378 [0,1,0,0,0,0|2,0,0]=3 3633 B15R1.12847 CCC(O)CSc1cc(=O)[nH]cc1OC 62a_100011218378_100121573661 [0,1,0,0,0,0|2,1,0]=4 3634 B15R1.12847 CCC(O)CSc1cc(=O)[nH]cc1OC 62a_100121573661_100011218378 [0,1,0,0,0,0|2,1,0]=4 3635 B15R1.12847 CCC(O)CSc1cc(ccc1NC)C 62a_100000221369_100011218378 [0,1,0,0,0,0|2,1,0]=4 3636 B15R1.12847 CCC(O)CSc1cc(ccc1NC)C 62a_100011218378_100000221369 [0,1,0,0,0,0|2,1,0]=4 3637 B15R1.12847 CCC(O)CSc1cc(ccc1NC)F 62a_100011218378_100011246292 [0,1,0,0,0,0|2,1,0]=4 3638 B15R1.12847 CCC(O)CSc1cc(ccc1NC)F 62a_100011246292_100011218378 [0,1,0,0,0,0|2,1,0]=4 3639 B15R1.12847 CCC(O)CSc1cc(ccc1OC)Br 62a_100011218378_100012351588 [0,1,0,0,0,0|1,1,0]=3 3640 B15R1.12847 CCC(O)CSc1cc(ccc1OC)Br 62a_100012351588_100011218378 [0,1,0,0,0,0|1,1,0]=3 3641 B15R1.12847 CCC(O)CSc1cc(ccc1OC)C 62a_100000186399_100011218378 [0,1,0,0,0,0|1,1,0]=3 3642 B15R1.12847 CCC(O)CSc1cc(ccc1OC)C 62a_100011218378_100000186399 [0,1,0,0,0,0|1,1,0]=3 3643 B15R1.12847 CCC(O)CSc1cc(ccc1OC)Cl 62a_100011215930_100011218378 [0,1,0,0,0,0|1,1,0]=3 3644 B15R1.12847 CCC(O)CSc1cc(ccc1OC)Cl 62a_100011218378_100011215930 [0,1,0,0,0,0|1,1,0]=3 3645 B15R1.12847 CCC(O)CSc1cc(ccc1OC)F 62a_100000171694_100011218378 [0,1,0,0,0,0|1,1,0]=3 3646 B15R1.12847 CCC(O)CSc1cc(ccc1OC)F 62a_100011218378_100000171694 [0,1,0,0,0,0|1,1,0]=3 3647 B15R1.12847 CCC(O)CSc1cc(ccc1OC)N 62a_100011218378_100011356947 [0,1,0,0,0,0|1,1,0]=3 3648 B15R1.12847 CCC(O)CSc1cc(ccc1OC)N 62a_100011356947_100011218378 [0,1,0,0,0,0|1,1,0]=3 3649 B15R1.12847 CCC(O)CSc1cc(ccc1OC)O 62a_100010234764_100011218378 [0,1,0,0,0,0|1,1,0]=3 3650 B15R1.12847 CCC(O)CSc1cc(ccc1OC)O 62a_100011218378_100010234764 [0,1,0,0,0,0|1,1,0]=3 3651 B15R1.12847 CCC(O)CSc1cc(ccc1SC)C 62a_100011218378_200010201864 [0,1,0,0,0,0|1,2,0]=4 3652 B15R1.12847 CCC(O)CSc1cc(ccc1SC)C 62a_200010201864_100011218378 [0,1,0,0,0,0|1,2,0]=4 3653 B15R1.12847 CCC(O)CSc1cc(ccc1SC)F 62a_100009817003_100011218378 [0,1,0,0,0,0|1,2,0]=4 3654 B15R1.12847 CCC(O)CSc1cc(ccc1SC)F 62a_100011218378_100009817003 [0,1,0,0,0,0|1,2,0]=4 3655 B15R1.12847 CCC(O)CSc1cc(cnc1OC)Br 62a_100009814608_100011218378 [0,1,0,0,0,0|2,1,0]=4 3656 B15R1.12847 CCC(O)CSc1cc(cnc1OC)Br 62a_100011218378_100009814608 [0,1,0,0,0,0|2,1,0]=4 3657 B15R1.12847 CCC(O)CSc1cc(cnc1OC)C 62a_100011218378_100012353929 [0,1,0,0,0,0|2,1,0]=4 3658 B15R1.12847 CCC(O)CSc1cc(cnc1OC)C 62a_100012353929_100011218378 [0,1,0,0,0,0|2,1,0]=4 3659 B15R1.12847 CCC(O)CSc1cc(cnc1OC)F 62a_100009828472_100011218378 [0,1,0,0,0,0|2,1,0]=4 3660 B15R1.12847 CCC(O)CSc1cc(cnc1OC)F 62a_100011218378_100009828472 [0,1,0,0,0,0|2,1,0]=4 3661 B15R1.12847 CCC(O)CSc1cc(cnc1OC)N 62a_100011218378_100012351452 [0,1,0,0,0,0|2,1,0]=4 3662 B15R1.12847 CCC(O)CSc1cc(cnc1OC)N 62a_100012351452_100011218378 [0,1,0,0,0,0|2,1,0]=4 3663 B15R1.12847 CCC(O)CSc1cc(ncc1OC)C 62a_100010109759_100011218378 [0,1,0,0,0,0|2,1,0]=4 3664 B15R1.12847 CCC(O)CSc1cc(ncc1OC)C 62a_100011218378_100010109759 [0,1,0,0,0,0|2,1,0]=4 3665 B15R1.12847 CCC(O)CSc1nc(ccc1OC)C 62a_100009820875_100011218378 [0,1,0,0,0,0|2,1,0]=4 3666 B15R1.12847 CCC(O)CSc1nc(ccc1OC)C 62a_100011218378_100009820875 [0,1,0,0,0,0|2,1,0]=4 3667 B15R1.12847 CCC(O)CSc1nc(ccc1OC)N 62a_100010172607_100011218378 [0,1,0,0,0,0|2,1,0]=4 3668 B15R1.12847 CCC(O)CSc1nc(ccc1OC)N 62a_100011218378_100010172607 [0,1,0,0,0,0|2,1,0]=4 3669 B15R1.12847 CC[C@H](C)CNc1cc(ccc1OC)Br 34a_100000743470_100009816398 [0,1,0,0,0,0|3,0,0]=4 3670 B15R1.12847 CC[C@H](C)CNc1cc(ccc1OC)C 2230a_100000210980_100009816398 [0,1,0,0,0,0|3,0,0]=4 3671 B15R1.12847 CC[C@H](C)CNc1cc(ccc1OC)C 34a_100000210980_100009816398 [0,1,0,0,0,0|3,0,0]=4 3672 B15R1.12847 CC[C@H](C)CNc1cc(ccc1OC)Cl 34a_100000182114_100009816398 [0,1,0,0,0,0|3,0,0]=4 3673 B15R1.12847 CC[C@H](C)CNc1cc(ccc1OC)F 34a_100000757179_100009816398 [0,1,0,0,0,0|3,0,0]=4 3674 B15R1.12847 CC[C@H](C)COc1cc(ccc1OC)Br 34a_100009816560_100009816398 [0,1,0,0,0,0|2,0,0]=3 3675 B15R1.12847 CC[C@H](C)COc1cc(ccc1OC)Br 7a_100009816560_100009816398 [0,1,0,0,0,0|2,0,0]=3 3676 B15R1.12847 CC[C@H](C)COc1cc(ccc1OC)C 34a_100011216497_100009816398 [0,1,0,0,0,0|2,0,0]=3 3677 B15R1.12847 CC[C@H](C)COc1cc(ccc1OC)C 7a_100011216497_100009816398 [0,1,0,0,0,0|2,0,0]=3 3678 B15R1.12847 CC[C@H](C)COc1cc(ccc1OC)Cl 34a_100000101779_100009816398 [0,1,0,0,0,0|2,0,0]=3 3679 B15R1.12847 CC[C@H](C)COc1cc(ccc1OC)Cl 7a_100000101779_100009816398 [0,1,0,0,0,0|2,0,0]=3 3680 B15R1.12847 CC[C@H](C)COc1cc(ccc1OC)F 34a_100000034962_100009816398 [0,1,0,0,0,0|2,0,0]=3 3681 B15R1.12847 CC[C@H](C)COc1cc(ccc1OC)F 7a_100000034962_100009816398 [0,1,0,0,0,0|2,0,0]=3 3682 B15R1.12847 CC[C@H](C)COc1cc(ccc1OC)N 34a_100000211920_100009816398 [0,1,0,0,0,0|2,0,0]=3 3683 B15R1.12847 CC[C@H](C)COc1cc(cnc1OC)Br 34a_100010135713_100009816398 [0,1,0,0,0,0|3,0,0]=4 3684 B15R1.12847 CC[C@H](C)COc1cc(ncc1OC)Br 34a_100010264082_100009816398 [0,1,0,0,0,0|3,0,0]=4 3685 B15R1.12847 CC[C@H](C)COc1cc(ncc1OC)Cl 34a_100009849459_100009816398 [0,1,0,0,0,0|3,0,0]=4 3686 B15R1.12847 CC[C@H](C)CSc1cc(ccc1OC)Br 62a_100009816398_100012351588 [0,1,0,0,0,0|2,1,0]=4 3687 B15R1.12847 CC[C@H](C)CSc1cc(ccc1OC)Br 62a_100012351588_100009816398 [0,1,0,0,0,0|2,1,0]=4 3688 B15R1.12847 CC[C@H](C)CSc1cc(ccc1OC)C 62a_100000186399_100009816398 [0,1,0,0,0,0|2,1,0]=4 3689 B15R1.12847 CC[C@H](C)CSc1cc(ccc1OC)C 62a_100009816398_100000186399 [0,1,0,0,0,0|2,1,0]=4 3690 B15R1.12847 CC[C@H](C)CSc1cc(ccc1OC)Cl 62a_100009816398_100011215930 [0,1,0,0,0,0|2,1,0]=4 3691 B15R1.12847 CC[C@H](C)CSc1cc(ccc1OC)Cl 62a_100011215930_100009816398 [0,1,0,0,0,0|2,1,0]=4 3692 B15R1.12847 CC[C@H](C)CSc1cc(ccc1OC)F 62a_100000171694_100009816398 [0,1,0,0,0,0|2,1,0]=4 3693 B15R1.12847 CC[C@H](C)CSc1cc(ccc1OC)F 62a_100009816398_100000171694 [0,1,0,0,0,0|2,1,0]=4 3694 B15R1.12847 CC[C@H](C)CSc1cc(ccc1OC)N 62a_100009816398_100011356947 [0,1,0,0,0,0|2,1,0]=4 3695 B15R1.12847 CC[C@H](C)CSc1cc(ccc1OC)N 62a_100011356947_100009816398 [0,1,0,0,0,0|2,1,0]=4 3696 B15R1.12847 CC[C@H](C)CSc1cc(ccc1OC)O 62a_100009816398_100010234764 [0,1,0,0,0,0|2,1,0]=4 3697 B15R1.12847 CC[C@H](C)CSc1cc(ccc1OC)O 62a_100010234764_100009816398 [0,1,0,0,0,0|2,1,0]=4 3698 B15R1.12847 CCc1ccc(cc1NCC(O)CC)Br 2230a_100012354963_100011218378 [0,1,0,0,0,0|3,0,0]=4 3699 B15R1.12847 CCc1ccc(cc1NCC(O)CC)Br 34a_100012354963_100011218378 [0,1,0,0,0,0|3,0,0]=4 3700 B15R1.12847 CCc1ccc(cc1NCC(O)CC)Br 7a_100012354963_100011218378 [0,1,0,0,0,0|3,0,0]=4 3701 B15R1.12847 CCc1ccc(cc1NCC(O)CC)Cl 2230a_200012281948_100011218378 [0,1,0,0,0,0|3,0,0]=4 3702 B15R1.12847 CCc1ccc(cc1NCC(O)CC)Cl 34a_200012281948_100011218378 [0,1,0,0,0,0|3,0,0]=4 3703 B15R1.12847 CCc1ccc(cc1NCC(O)CC)Cl 7a_200012281948_100011218378 [0,1,0,0,0,0|3,0,0]=4 3704 B15R1.12847 CCc1ccc(cc1NCC(O)CO)Br 2230a_100012354963_100011219619 [0,1,0,0,0,0|2,0,0]=3 3705 B15R1.12847 CCc1ccc(cc1NCC(O)CO)Br 34a_100012354963_100011219619 [0,1,0,0,0,0|2,0,0]=3 3706 B15R1.12847 CCc1ccc(cc1NCC(O)CO)Br 7a_100012354963_100011219619 [0,1,0,0,0,0|2,0,0]=3 3707 B15R1.12847 CCc1ccc(cc1NCC(O)CO)Cl 2230a_200012281948_100011219619 [0,1,0,0,0,0|2,0,0]=3 3708 B15R1.12847 CCc1ccc(cc1NCC(O)CO)Cl 34a_200012281948_100011219619 [0,1,0,0,0,0|2,0,0]=3 3709 B15R1.12847 CCc1ccc(cc1NCC(O)CO)Cl 7a_200012281948_100011219619 [0,1,0,0,0,0|2,0,0]=3 3710 B15R1.12847 CCc1ccc(cc1NC[C@@H](C)CO)Br 2230a_100012354963_100000059175 [0,1,0,0,0,0|3,0,0]=4 3711 B15R1.12847 CCc1ccc(cc1NC[C@@H](C)CO)Br 34a_100012354963_100000059175 [0,1,0,0,0,0|3,0,0]=4 3712 B15R1.12847 CCc1ccc(cc1NC[C@@H](C)CO)Br 7a_100012354963_100000059175 [0,1,0,0,0,0|3,0,0]=4 3713 B15R1.12847 CCc1ccc(cc1NC[C@@H](C)CO)Cl 2230a_200012281948_100000059175 [0,1,0,0,0,0|3,0,0]=4 3714 B15R1.12847 CCc1ccc(cc1NC[C@@H](C)CO)Cl 34a_200012281948_100000059175 [0,1,0,0,0,0|3,0,0]=4 3715 B15R1.12847 CCc1ccc(cc1NC[C@@H](C)CO)Cl 7a_200012281948_100000059175 [0,1,0,0,0,0|3,0,0]=4 3716 B15R1.12847 CCc1ccc(cc1NC[C@@H](O)CF)Br 2230a_100012354963_100015614560 [0,1,0,0,0,0|3,0,0]=4 3717 B15R1.12847 CCc1ccc(cc1NC[C@@H](O)CF)Br 34a_100012354963_100015614560 [0,1,0,0,0,0|3,0,0]=4 3718 B15R1.12847 CCc1ccc(cc1NC[C@@H](O)CF)Br 7a_100012354963_100015614560 [0,1,0,0,0,0|3,0,0]=4 3719 B15R1.12847 CCc1ccc(cc1NC[C@@H](O)CF)Cl 2230a_200012281948_100015614560 [0,1,0,0,0,0|3,0,0]=4 3720 B15R1.12847 CCc1ccc(cc1NC[C@@H](O)CF)Cl 34a_200012281948_100015614560 [0,1,0,0,0,0|3,0,0]=4 3721 B15R1.12847 CCc1ccc(cc1NC[C@@H](O)CF)Cl 7a_200012281948_100015614560 [0,1,0,0,0,0|3,0,0]=4 3722 B15R1.12847 CCc1ccc(cc1NC[C@@H](O)CO)Br 2230a_100012354963_100009815848 [0,1,0,0,0,0|2,0,0]=3 3723 B15R1.12847 CCc1ccc(cc1NC[C@@H](O)CO)Br 34a_100012354963_100009815848 [0,1,0,0,0,0|2,0,0]=3 3724 B15R1.12847 CCc1ccc(cc1NC[C@@H](O)CO)Br 7a_100012354963_100009815848 [0,1,0,0,0,0|2,0,0]=3 3725 B15R1.12847 CCc1ccc(cc1NC[C@@H](O)CO)Cl 2230a_200012281948_100009815848 [0,1,0,0,0,0|2,0,0]=3 3726 B15R1.12847 CCc1ccc(cc1NC[C@@H](O)CO)Cl 34a_200012281948_100009815848 [0,1,0,0,0,0|2,0,0]=3 3727 B15R1.12847 CCc1ccc(cc1NC[C@@H](O)CO)Cl 7a_200012281948_100009815848 [0,1,0,0,0,0|2,0,0]=3 3728 B15R1.12847 CCc1cnc(cc1NC[C@H](O)CO)C 27a_100020644852_100010291839 [0,1,0,0,0,0|3,0,0]=4 3729 B15R1.12847 CCc1cnc(cc1SCC(O)CO)C 62a_100010291839_100011219619 [0,1,0,0,0,0|2,1,0]=4 3730 B15R1.12847 CCc1cnc(cc1SCC(O)CO)C 62a_100011219619_100010291839 [0,1,0,0,0,0|2,1,0]=4 3731 B15R1.12847 CCc1cnc(cc1SC[C@@H](O)CO)C 62a_100009815848_100010291839 [0,1,0,0,0,0|2,1,0]=4 3732 B15R1.12847 CCc1cnc(cc1SC[C@@H](O)CO)C 62a_100010291839_100009815848 [0,1,0,0,0,0|2,1,0]=4 3733 B15R1.12847 CCc1ncc(cc1SCC(O)CO)N 62a_100011219619_100013085292 [0,1,0,0,0,0|2,1,0]=4 3734 B15R1.12847 CCc1ncc(cc1SCC(O)CO)N 62a_100013085292_100011219619 [0,1,0,0,0,0|2,1,0]=4 3735 B15R1.12847 CCc1ncc(cc1SC[C@@H](O)CO)N 62a_100009815848_100013085292 [0,1,0,0,0,0|2,1,0]=4 3736 B15R1.12847 CCc1ncc(cc1SC[C@@H](O)CO)N 62a_100013085292_100009815848 [0,1,0,0,0,0|2,1,0]=4 3737 B15R1.12847 CNc1ccc(cc1SCC(O)CO)C 62a_100000221369_100011219619 [0,1,0,0,0,0|1,1,0]=3 3738 B15R1.12847 CNc1ccc(cc1SCC(O)CO)C 62a_100011219619_100000221369 [0,1,0,0,0,0|1,1,0]=3 3739 B15R1.12847 CNc1ccc(cc1SCC(O)CO)F 62a_100011219619_100011246292 [0,1,0,0,0,0|1,1,0]=3 3740 B15R1.12847 CNc1ccc(cc1SCC(O)CO)F 62a_100011246292_100011219619 [0,1,0,0,0,0|1,1,0]=3 3741 B15R1.12847 CNc1ccc(cc1SC[C@@H](C)CO)C 62a_100000059175_100000221369 [0,1,0,0,0,0|2,1,0]=4 3742 B15R1.12847 CNc1ccc(cc1SC[C@@H](C)CO)C 62a_100000221369_100000059175 [0,1,0,0,0,0|2,1,0]=4 3743 B15R1.12847 CNc1ccc(cc1SC[C@@H](C)CO)F 62a_100000059175_100011246292 [0,1,0,0,0,0|2,1,0]=4 3744 B15R1.12847 CNc1ccc(cc1SC[C@@H](C)CO)F 62a_100011246292_100000059175 [0,1,0,0,0,0|2,1,0]=4 3745 B15R1.12847 CNc1ccc(cc1SC[C@@H](O)CF)C 62a_100000221369_100015614560 [0,1,0,0,0,0|2,1,0]=4 3746 B15R1.12847 CNc1ccc(cc1SC[C@@H](O)CF)C 62a_100015614560_100000221369 [0,1,0,0,0,0|2,1,0]=4 3747 B15R1.12847 CNc1ccc(cc1SC[C@@H](O)CF)F 62a_100011246292_100015614560 [0,1,0,0,0,0|2,1,0]=4 3748 B15R1.12847 CNc1ccc(cc1SC[C@@H](O)CF)F 62a_100015614560_100011246292 [0,1,0,0,0,0|2,1,0]=4 3749 B15R1.12847 CNc1ccc(cc1SC[C@@H](O)CO)C 62a_100000221369_100009815848 [0,1,0,0,0,0|1,1,0]=3 3750 B15R1.12847 CNc1ccc(cc1SC[C@@H](O)CO)C 62a_100009815848_100000221369 [0,1,0,0,0,0|1,1,0]=3 3751 B15R1.12847 CNc1ccc(cc1SC[C@@H](O)CO)F 62a_100009815848_100011246292 [0,1,0,0,0,0|1,1,0]=3 3752 B15R1.12847 CNc1ccc(cc1SC[C@@H](O)CO)F 62a_100011246292_100009815848 [0,1,0,0,0,0|1,1,0]=3 3753 B15R1.12847 COc1c[nH]c(=O)cc1SCC(O)CO 62a_100011219619_100121573661 [0,1,0,0,0,0|1,1,0]=3 3754 B15R1.12847 COc1c[nH]c(=O)cc1SCC(O)CO 62a_100121573661_100011219619 [0,1,0,0,0,0|1,1,0]=3 3755 B15R1.12847 COc1c[nH]c(=O)cc1SC[C@@H](C)CO 62a_100000059175_100121573661 [0,1,0,0,0,0|2,1,0]=4 3756 B15R1.12847 COc1c[nH]c(=O)cc1SC[C@@H](C)CO 62a_100121573661_100000059175 [0,1,0,0,0,0|2,1,0]=4 3757 B15R1.12847 COc1c[nH]c(=O)cc1SC[C@@H](O)CF 62a_100015614560_100121573661 [0,1,0,0,0,0|2,1,0]=4 3758 B15R1.12847 COc1c[nH]c(=O)cc1SC[C@@H](O)CF 62a_100121573661_100015614560 [0,1,0,0,0,0|2,1,0]=4 3759 B15R1.12847 COc1c[nH]c(=O)cc1SC[C@@H](O)CO 62a_100009815848_100121573661 [0,1,0,0,0,0|1,1,0]=3 3760 B15R1.12847 COc1c[nH]c(=O)cc1SC[C@@H](O)CO 62a_100121573661_100009815848 [0,1,0,0,0,0|1,1,0]=3 3761 B15R1.12847 COc1ccc(cc1CNC(C)CO)Br 34a_100000690498_100012180447 [0,1,0,0,0,0|3,0,0]=4 3762 B15R1.12847 COc1ccc(cc1CNC(C)CO)Cl 2230a_100000740580_100012180447 [0,1,0,0,0,0|3,0,0]=4 3763 B15R1.12847 COc1ccc(cc1CNC(C)CO)Cl 34a_100000740580_100012180447 [0,1,0,0,0,0|3,0,0]=4 3764 B15R1.12847 COc1ccc(cc1CNC(C)CO)F 34a_100011199032_100012180447 [0,1,0,0,0,0|3,0,0]=4 3765 B15R1.12847 COc1ccc(cc1CN[C@H](C)CO)Br 207a_100000737577_100000170026 [0,1,0,0,0,0|3,0,0]=4 3766 B15R1.12847 COc1ccc(cc1CN[C@H](C)CO)Br 2230a_100000737577_100000204665 [0,1,0,0,0,0|3,0,0]=4 3767 B15R1.12847 COc1ccc(cc1CN[C@H](C)CO)Br 270004a_100000737577_100000170026 [0,1,0,0,0,0|3,0,0]=4 3768 B15R1.12847 COc1ccc(cc1CN[C@H](C)CO)C 207a_100000737577_100000203738 [0,1,0,0,0,0|3,0,0]=4 3769 B15R1.12847 COc1ccc(cc1CN[C@H](C)CO)C 2230a_100000737577_100000199068 [0,1,0,0,0,0|3,0,0]=4 3770 B15R1.12847 COc1ccc(cc1CN[C@H](C)CO)C 270004a_100000737577_100000203738 [0,1,0,0,0,0|3,0,0]=4 3771 B15R1.12847 COc1ccc(cc1CN[C@H](C)CO)Cl 207a_100000737577_100000188328 [0,1,0,0,0,0|3,0,0]=4 3772 B15R1.12847 COc1ccc(cc1CN[C@H](C)CO)Cl 2230a_100000737577_100000209806 [0,1,0,0,0,0|3,0,0]=4 3773 B15R1.12847 COc1ccc(cc1CN[C@H](C)CO)Cl 270004a_100000737577_100000188328 [0,1,0,0,0,0|3,0,0]=4 3774 B15R1.12847 COc1ccc(cc1CN[C@H](C)CO)F 207a_100000737577_100000722865 [0,1,0,0,0,0|3,0,0]=4 3775 B15R1.12847 COc1ccc(cc1CN[C@H](C)CO)F 2230a_100000737577_100011830354 [0,1,0,0,0,0|3,0,0]=4 3776 B15R1.12847 COc1ccc(cc1CN[C@H](C)CO)F 270004a_100000737577_100000722865 [0,1,0,0,0,0|3,0,0]=4 3777 B15R1.12847 COc1ccc(cc1CN[C@H](C)CO)I 207a_100000737577_100011266407 [0,1,0,0,0,0|3,0,0]=4 3778 B15R1.12847 COc1ccc(cc1CN[C@H](C)CO)I 270004a_100000737577_100011266407 [0,1,0,0,0,0|3,0,0]=4 3779 B15R1.12847 COc1ccc(cc1CN[C@H](C)CO)O 207a_100000737577_100000067581 [0,1,0,0,0,0|3,0,0]=4 3780 B15R1.12847 COc1ccc(cc1COC(C)CO)Br 34a_100000204679_100012180447 [0,1,0,0,0,0|3,0,0]=4 3781 B15R1.12847 COc1ccc(cc1COC(C)CO)Br 7a_100000204679_100012180447 [0,1,0,0,0,0|3,0,0]=4 3782 B15R1.12847 COc1ccc(cc1COC(C)CO)C 34a_200000246444_100012180447 [0,1,0,0,0,0|3,0,0]=4 3783 B15R1.12847 COc1ccc(cc1COC(C)CO)C 7a_200000246444_100012180447 [0,1,0,0,0,0|3,0,0]=4 3784 B15R1.12847 COc1ccc(cc1COC(C)CO)F 34a_100011266440_100012180447 [0,1,0,0,0,0|3,0,0]=4 3785 B15R1.12847 COc1ccc(cc1COC(C)CO)F 7a_100011266440_100012180447 [0,1,0,0,0,0|3,0,0]=4 3786 B15R1.12847 COc1ccc(cc1COC(C)CO)I 34a_200137411115_100012180447 [0,1,0,0,0,0|3,0,0]=4 3787 B15R1.12847 COc1ccc(cc1COC(C)CO)I 7a_200137411115_100012180447 [0,1,0,0,0,0|3,0,0]=4 3788 B15R1.12847 COc1ccc(cc1CSC(C)CO)Br 62a_100012180447_100000204665 [0,1,0,0,0,0|3,0,0]=4 3789 B15R1.12847 COc1ccc(cc1CSC(C)CO)C 62a_100012180447_100000199068 [0,1,0,0,0,0|3,0,0]=4 3790 B15R1.12847 COc1ccc(cc1CSC(C)CO)Cl 62a_100012180447_100000209806 [0,1,0,0,0,0|3,0,0]=4 3791 B15R1.12847 COc1ccc(cc1CSC(C)CO)F 62a_100012180447_100011830354 [0,1,0,0,0,0|3,0,0]=4 3792 B15R1.12847 COc1ccc(cc1CS[C@H](C)CO)Br 62a_100000204665_100016084084 [0,1,0,0,0,0|3,0,0]=4 3793 B15R1.12847 COc1ccc(cc1CS[C@H](C)CO)Br 62a_100016084084_100000204665 [0,1,0,0,0,0|3,0,0]=4 3794 B15R1.12847 COc1ccc(cc1CS[C@H](C)CO)C 62a_100000199068_100016084084 [0,1,0,0,0,0|3,0,0]=4 3795 B15R1.12847 COc1ccc(cc1CS[C@H](C)CO)C 62a_100016084084_100000199068 [0,1,0,0,0,0|3,0,0]=4 3796 B15R1.12847 COc1ccc(cc1CS[C@H](C)CO)Cl 62a_100000209806_100016084084 [0,1,0,0,0,0|3,0,0]=4 3797 B15R1.12847 COc1ccc(cc1CS[C@H](C)CO)Cl 62a_100016084084_100000209806 [0,1,0,0,0,0|3,0,0]=4 3798 B15R1.12847 COc1ccc(cc1CS[C@H](C)CO)F 62a_100011830354_100016084084 [0,1,0,0,0,0|3,0,0]=4 3799 B15R1.12847 COc1ccc(cc1CS[C@H](C)CO)F 62a_100016084084_100011830354 [0,1,0,0,0,0|3,0,0]=4 3800 B15R1.12847 COc1ccc(cc1NCC(O)CO)Br 34a_100000743470_100011219619 [0,1,0,0,0,0|1,0,0]=2 3801 B15R1.12847 COc1ccc(cc1NCC(O)CO)C 2230a_100000210980_100011219619 [0,1,0,0,0,0|1,0,0]=2 3802 B15R1.12847 COc1ccc(cc1NCC(O)CO)C 34a_100000210980_100011219619 [0,1,0,0,0,0|1,0,0]=2 3803 B15R1.12847 COc1ccc(cc1NCC(O)CO)Cl 34a_100000182114_100011219619 [0,1,0,0,0,0|1,0,0]=2 3804 B15R1.12847 COc1ccc(cc1NCC(O)CO)F 34a_100000757179_100011219619 [0,1,0,0,0,0|1,0,0]=2 3805 B15R1.12847 COc1ccc(cc1NC[C@@H](C)CO)Br 34a_100000743470_100000059175 [0,1,0,0,0,0|2,0,0]=3 3806 B15R1.12847 COc1ccc(cc1NC[C@@H](C)CO)C 2230a_100000210980_100000059175 [0,1,0,0,0,0|2,0,0]=3 3807 B15R1.12847 COc1ccc(cc1NC[C@@H](C)CO)C 34a_100000210980_100000059175 [0,1,0,0,0,0|2,0,0]=3 3808 B15R1.12847 COc1ccc(cc1NC[C@@H](C)CO)Cl 34a_100000182114_100000059175 [0,1,0,0,0,0|2,0,0]=3 3809 B15R1.12847 COc1ccc(cc1NC[C@@H](C)CO)F 34a_100000757179_100000059175 [0,1,0,0,0,0|2,0,0]=3 3810 B15R1.12847 COc1ccc(cc1NC[C@@H](O)CF)Br 34a_100000743470_100015614560 [0,1,0,0,0,0|2,0,0]=3 3811 B15R1.12847 COc1ccc(cc1NC[C@@H](O)CF)C 2230a_100000210980_100015614560 [0,1,0,0,0,0|2,0,0]=3 3812 B15R1.12847 COc1ccc(cc1NC[C@@H](O)CF)C 34a_100000210980_100015614560 [0,1,0,0,0,0|2,0,0]=3 3813 B15R1.12847 COc1ccc(cc1NC[C@@H](O)CF)Cl 34a_100000182114_100015614560 [0,1,0,0,0,0|2,0,0]=3 3814 B15R1.12847 COc1ccc(cc1NC[C@@H](O)CF)F 34a_100000757179_100015614560 [0,1,0,0,0,0|2,0,0]=3 3815 B15R1.12847 COc1ccc(cc1NC[C@@H](O)CO)Br 34a_100000743470_100009815848 [0,1,0,0,0,0|1,0,0]=2 3816 B15R1.12847 COc1ccc(cc1NC[C@@H](O)CO)C 2230a_100000210980_100009815848 [0,1,0,0,0,0|1,0,0]=2 3817 B15R1.12847 COc1ccc(cc1NC[C@@H](O)CO)C 34a_100000210980_100009815848 [0,1,0,0,0,0|1,0,0]=2 3818 B15R1.12847 COc1ccc(cc1NC[C@@H](O)CO)Cl 34a_100000182114_100009815848 [0,1,0,0,0,0|1,0,0]=2 3819 B15R1.12847 COc1ccc(cc1NC[C@@H](O)CO)F 34a_100000757179_100009815848 [0,1,0,0,0,0|1,0,0]=2 3820 B15R1.12847 COc1ccc(cc1OCC(O)CO)Br 34a_100009816560_100011219619 [0,1,0,0,0,0|0,0,0]=1 3821 B15R1.12847 COc1ccc(cc1OCC(O)CO)Br 7a_100009816560_100011219619 [0,1,0,0,0,0|0,0,0]=1 3822 B15R1.12847 COc1ccc(cc1OCC(O)CO)C 34a_100011216497_100011219619 [0,1,0,0,0,0|0,0,0]=1 3823 B15R1.12847 COc1ccc(cc1OCC(O)CO)C 7a_100011216497_100011219619 [0,1,0,0,0,0|0,0,0]=1 3824 B15R1.12847 COc1ccc(cc1OCC(O)CO)Cl 34a_100000101779_100011219619 [0,1,0,0,0,0|0,0,0]=1 3825 B15R1.12847 COc1ccc(cc1OCC(O)CO)Cl 7a_100000101779_100011219619 [0,1,0,0,0,0|0,0,0]=1 3826 B15R1.12847 COc1ccc(cc1OCC(O)CO)F 34a_100000034962_100011219619 [0,1,0,0,0,0|0,0,0]=1 3827 B15R1.12847 COc1ccc(cc1OCC(O)CO)F 7a_100000034962_100011219619 [0,1,0,0,0,0|0,0,0]=1 3828 B15R1.12847 COc1ccc(cc1OCC(O)CO)N 34a_100000211920_100011219619 [0,1,0,0,0,0|0,0,0]=1 3829 B15R1.12847 COc1ccc(cc1OC[C@@H](C)CO)Br 34a_100009816560_100000059175 [0,1,0,0,0,0|1,0,0]=2 3830 B15R1.12847 COc1ccc(cc1OC[C@@H](C)CO)Br 7a_100009816560_100000059175 [0,1,0,0,0,0|1,0,0]=2 3831 B15R1.12847 COc1ccc(cc1OC[C@@H](C)CO)C 34a_100011216497_100000059175 [0,1,0,0,0,0|1,0,0]=2 3832 B15R1.12847 COc1ccc(cc1OC[C@@H](C)CO)C 7a_100011216497_100000059175 [0,1,0,0,0,0|1,0,0]=2 3833 B15R1.12847 COc1ccc(cc1OC[C@@H](C)CO)Cl 34a_100000101779_100000059175 [0,1,0,0,0,0|1,0,0]=2 3834 B15R1.12847 COc1ccc(cc1OC[C@@H](C)CO)Cl 7a_100000101779_100000059175 [0,1,0,0,0,0|1,0,0]=2 3835 B15R1.12847 COc1ccc(cc1OC[C@@H](C)CO)F 34a_100000034962_100000059175 [0,1,0,0,0,0|1,0,0]=2 3836 B15R1.12847 COc1ccc(cc1OC[C@@H](C)CO)F 7a_100000034962_100000059175 [0,1,0,0,0,0|1,0,0]=2 3837 B15R1.12847 COc1ccc(cc1OC[C@@H](C)CO)N 34a_100000211920_100000059175 [0,1,0,0,0,0|1,0,0]=2 3838 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CF)Br 34a_100009816560_100015614560 [0,1,0,0,0,0|1,0,0]=2 3839 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CF)Br 7a_100009816560_100015614560 [0,1,0,0,0,0|1,0,0]=2 3840 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CF)C 34a_100011216497_100015614560 [0,1,0,0,0,0|1,0,0]=2 3841 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CF)C 7a_100011216497_100015614560 [0,1,0,0,0,0|1,0,0]=2 3842 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CF)Cl 34a_100000101779_100015614560 [0,1,0,0,0,0|1,0,0]=2 3843 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CF)Cl 7a_100000101779_100015614560 [0,1,0,0,0,0|1,0,0]=2 3844 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CF)F 34a_100000034962_100015614560 [0,1,0,0,0,0|1,0,0]=2 3845 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CF)F 7a_100000034962_100015614560 [0,1,0,0,0,0|1,0,0]=2 3846 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CF)N 34a_100000211920_100015614560 [0,1,0,0,0,0|1,0,0]=2 3847 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CO)Br 34a_100009816560_100009815848 [0,1,0,0,0,0|0,0,0]=1 3848 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CO)Br 7a_100009816560_100009815848 [0,1,0,0,0,0|0,0,0]=1 3849 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CO)C 34a_100011216497_100009815848 [0,1,0,0,0,0|0,0,0]=1 3850 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CO)C 7a_100011216497_100009815848 [0,1,0,0,0,0|0,0,0]=1 3851 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CO)Cl 34a_100000101779_100009815848 [0,1,0,0,0,0|0,0,0]=1 3852 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CO)Cl 7a_100000101779_100009815848 [0,1,0,0,0,0|0,0,0]=1 3853 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CO)F 34a_100000034962_100009815848 [0,1,0,0,0,0|0,0,0]=1 3854 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CO)F 7a_100000034962_100009815848 [0,1,0,0,0,0|0,0,0]=1 3855 B15R1.12847 COc1ccc(cc1OC[C@@H](O)CO)N 34a_100000211920_100009815848 [0,1,0,0,0,0|0,0,0]=1 3856 B15R1.12847 COc1ccc(cc1SCC(O)CO)Br 62a_100011219619_100012351588 [0,1,0,0,0,0|0,1,0]=2 3857 B15R1.12847 COc1ccc(cc1SCC(O)CO)Br 62a_100012351588_100011219619 [0,1,0,0,0,0|0,1,0]=2 3858 B15R1.12847 COc1ccc(cc1SCC(O)CO)C 62a_100000186399_100011219619 [0,1,0,0,0,0|0,1,0]=2 3859 B15R1.12847 COc1ccc(cc1SCC(O)CO)C 62a_100011219619_100000186399 [0,1,0,0,0,0|0,1,0]=2 3860 B15R1.12847 COc1ccc(cc1SCC(O)CO)Cl 62a_100011215930_100011219619 [0,1,0,0,0,0|0,1,0]=2 3861 B15R1.12847 COc1ccc(cc1SCC(O)CO)Cl 62a_100011219619_100011215930 [0,1,0,0,0,0|0,1,0]=2 3862 B15R1.12847 COc1ccc(cc1SCC(O)CO)F 62a_100000171694_100011219619 [0,1,0,0,0,0|0,1,0]=2 3863 B15R1.12847 COc1ccc(cc1SCC(O)CO)F 62a_100011219619_100000171694 [0,1,0,0,0,0|0,1,0]=2 3864 B15R1.12847 COc1ccc(cc1SCC(O)CO)N 62a_100011219619_100011356947 [0,1,0,0,0,0|0,1,0]=2 3865 B15R1.12847 COc1ccc(cc1SCC(O)CO)N 62a_100011356947_100011219619 [0,1,0,0,0,0|0,1,0]=2 3866 B15R1.12847 COc1ccc(cc1SCC(O)CO)O 62a_100010234764_100011219619 [0,1,0,0,0,0|0,1,0]=2 3867 B15R1.12847 COc1ccc(cc1SCC(O)CO)O 62a_100011219619_100010234764 [0,1,0,0,0,0|0,1,0]=2 3868 B15R1.12847 COc1ccc(cc1SC[C@@H](C)CO)Br 62a_100000059175_100012351588 [0,1,0,0,0,0|1,1,0]=3 3869 B15R1.12847 COc1ccc(cc1SC[C@@H](C)CO)Br 62a_100012351588_100000059175 [0,1,0,0,0,0|1,1,0]=3 3870 B15R1.12847 COc1ccc(cc1SC[C@@H](C)CO)C 62a_100000059175_100000186399 [0,1,0,0,0,0|1,1,0]=3 3871 B15R1.12847 COc1ccc(cc1SC[C@@H](C)CO)C 62a_100000186399_100000059175 [0,1,0,0,0,0|1,1,0]=3 3872 B15R1.12847 COc1ccc(cc1SC[C@@H](C)CO)Cl 62a_100000059175_100011215930 [0,1,0,0,0,0|1,1,0]=3 3873 B15R1.12847 COc1ccc(cc1SC[C@@H](C)CO)Cl 62a_100011215930_100000059175 [0,1,0,0,0,0|1,1,0]=3 3874 B15R1.12847 COc1ccc(cc1SC[C@@H](C)CO)F 62a_100000059175_100000171694 [0,1,0,0,0,0|1,1,0]=3 3875 B15R1.12847 COc1ccc(cc1SC[C@@H](C)CO)F 62a_100000171694_100000059175 [0,1,0,0,0,0|1,1,0]=3 3876 B15R1.12847 COc1ccc(cc1SC[C@@H](C)CO)N 62a_100000059175_100011356947 [0,1,0,0,0,0|1,1,0]=3 3877 B15R1.12847 COc1ccc(cc1SC[C@@H](C)CO)N 62a_100011356947_100000059175 [0,1,0,0,0,0|1,1,0]=3 3878 B15R1.12847 COc1ccc(cc1SC[C@@H](C)CO)O 62a_100000059175_100010234764 [0,1,0,0,0,0|1,1,0]=3 3879 B15R1.12847 COc1ccc(cc1SC[C@@H](C)CO)O 62a_100010234764_100000059175 [0,1,0,0,0,0|1,1,0]=3 3880 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CF)Br 62a_100012351588_100015614560 [0,1,0,0,0,0|1,1,0]=3 3881 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CF)Br 62a_100015614560_100012351588 [0,1,0,0,0,0|1,1,0]=3 3882 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CF)C 62a_100000186399_100015614560 [0,1,0,0,0,0|1,1,0]=3 3883 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CF)C 62a_100015614560_100000186399 [0,1,0,0,0,0|1,1,0]=3 3884 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CF)Cl 62a_100011215930_100015614560 [0,1,0,0,0,0|1,1,0]=3 3885 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CF)Cl 62a_100015614560_100011215930 [0,1,0,0,0,0|1,1,0]=3 3886 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CF)F 62a_100000171694_100015614560 [0,1,0,0,0,0|1,1,0]=3 3887 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CF)F 62a_100015614560_100000171694 [0,1,0,0,0,0|1,1,0]=3 3888 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CF)N 62a_100011356947_100015614560 [0,1,0,0,0,0|1,1,0]=3 3889 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CF)N 62a_100015614560_100011356947 [0,1,0,0,0,0|1,1,0]=3 3890 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CF)O 62a_100010234764_100015614560 [0,1,0,0,0,0|1,1,0]=3 3891 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CF)O 62a_100015614560_100010234764 [0,1,0,0,0,0|1,1,0]=3 3892 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CO)Br 62a_100009815848_100012351588 [0,1,0,0,0,0|0,1,0]=2 3893 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CO)Br 62a_100012351588_100009815848 [0,1,0,0,0,0|0,1,0]=2 3894 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CO)C 62a_100000186399_100009815848 [0,1,0,0,0,0|0,1,0]=2 3895 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CO)C 62a_100009815848_100000186399 [0,1,0,0,0,0|0,1,0]=2 3896 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CO)Cl 62a_100009815848_100011215930 [0,1,0,0,0,0|0,1,0]=2 3897 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CO)Cl 62a_100011215930_100009815848 [0,1,0,0,0,0|0,1,0]=2 3898 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CO)F 62a_100000171694_100009815848 [0,1,0,0,0,0|0,1,0]=2 3899 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CO)F 62a_100009815848_100000171694 [0,1,0,0,0,0|0,1,0]=2 3900 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CO)N 62a_100009815848_100011356947 [0,1,0,0,0,0|0,1,0]=2 3901 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CO)N 62a_100011356947_100009815848 [0,1,0,0,0,0|0,1,0]=2 3902 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CO)O 62a_100009815848_100010234764 [0,1,0,0,0,0|0,1,0]=2 3903 B15R1.12847 COc1ccc(cc1SC[C@@H](O)CO)O 62a_100010234764_100009815848 [0,1,0,0,0,0|0,1,0]=2 3904 B15R1.12847 COc1ccc(nc1SCC(O)CO)C 62a_100009820875_100011219619 [0,1,0,0,0,0|1,1,0]=3 3905 B15R1.12847 COc1ccc(nc1SCC(O)CO)C 62a_100011219619_100009820875 [0,1,0,0,0,0|1,1,0]=3 3906 B15R1.12847 COc1ccc(nc1SCC(O)CO)N 62a_100010172607_100011219619 [0,1,0,0,0,0|1,1,0]=3 3907 B15R1.12847 COc1ccc(nc1SCC(O)CO)N 62a_100011219619_100010172607 [0,1,0,0,0,0|1,1,0]=3 3908 B15R1.12847 COc1ccc(nc1SC[C@@H](C)CO)C 62a_100000059175_100009820875 [0,1,0,0,0,0|2,1,0]=4 3909 B15R1.12847 COc1ccc(nc1SC[C@@H](C)CO)C 62a_100009820875_100000059175 [0,1,0,0,0,0|2,1,0]=4 3910 B15R1.12847 COc1ccc(nc1SC[C@@H](C)CO)N 62a_100000059175_100010172607 [0,1,0,0,0,0|2,1,0]=4 3911 B15R1.12847 COc1ccc(nc1SC[C@@H](C)CO)N 62a_100010172607_100000059175 [0,1,0,0,0,0|2,1,0]=4 3912 B15R1.12847 COc1ccc(nc1SC[C@@H](O)CF)C 62a_100009820875_100015614560 [0,1,0,0,0,0|2,1,0]=4 3913 B15R1.12847 COc1ccc(nc1SC[C@@H](O)CF)C 62a_100015614560_100009820875 [0,1,0,0,0,0|2,1,0]=4 3914 B15R1.12847 COc1ccc(nc1SC[C@@H](O)CF)N 62a_100010172607_100015614560 [0,1,0,0,0,0|2,1,0]=4 3915 B15R1.12847 COc1ccc(nc1SC[C@@H](O)CF)N 62a_100015614560_100010172607 [0,1,0,0,0,0|2,1,0]=4 3916 B15R1.12847 COc1ccc(nc1SC[C@@H](O)CO)C 62a_100009815848_100009820875 [0,1,0,0,0,0|1,1,0]=3 3917 B15R1.12847 COc1ccc(nc1SC[C@@H](O)CO)C 62a_100009820875_100009815848 [0,1,0,0,0,0|1,1,0]=3 3918 B15R1.12847 COc1ccc(nc1SC[C@@H](O)CO)N 62a_100009815848_100010172607 [0,1,0,0,0,0|1,1,0]=3 3919 B15R1.12847 COc1ccc(nc1SC[C@@H](O)CO)N 62a_100010172607_100009815848 [0,1,0,0,0,0|1,1,0]=3 3920 B15R1.12847 COc1cnc(cc1OCC(O)CO)Br 34a_100010264082_100011219619 [0,1,0,0,0,0|1,0,0]=2 3921 B15R1.12847 COc1cnc(cc1OCC(O)CO)Cl 34a_100009849459_100011219619 [0,1,0,0,0,0|1,0,0]=2 3922 B15R1.12847 COc1cnc(cc1OC[C@@H](C)CO)Br 34a_100010264082_100000059175 [0,1,0,0,0,0|2,0,0]=3 3923 B15R1.12847 COc1cnc(cc1OC[C@@H](C)CO)Cl 34a_100009849459_100000059175 [0,1,0,0,0,0|2,0,0]=3 3924 B15R1.12847 COc1cnc(cc1OC[C@@H](O)CF)Br 34a_100010264082_100015614560 [0,1,0,0,0,0|2,0,0]=3 3925 B15R1.12847 COc1cnc(cc1OC[C@@H](O)CF)Cl 34a_100009849459_100015614560 [0,1,0,0,0,0|2,0,0]=3 3926 B15R1.12847 COc1cnc(cc1OC[C@@H](O)CO)Br 34a_100010264082_100009815848 [0,1,0,0,0,0|1,0,0]=2 3927 B15R1.12847 COc1cnc(cc1OC[C@@H](O)CO)Cl 34a_100009849459_100009815848 [0,1,0,0,0,0|1,0,0]=2 3928 B15R1.12847 COc1cnc(cc1SCC(O)CO)C 62a_100010109759_100011219619 [0,1,0,0,0,0|1,1,0]=3 3929 B15R1.12847 COc1cnc(cc1SCC(O)CO)C 62a_100011219619_100010109759 [0,1,0,0,0,0|1,1,0]=3 3930 B15R1.12847 COc1cnc(cc1SC[C@@H](C)CO)C 62a_100000059175_100010109759 [0,1,0,0,0,0|2,1,0]=4 3931 B15R1.12847 COc1cnc(cc1SC[C@@H](C)CO)C 62a_100010109759_100000059175 [0,1,0,0,0,0|2,1,0]=4 3932 B15R1.12847 COc1cnc(cc1SC[C@@H](O)CF)C 62a_100010109759_100015614560 [0,1,0,0,0,0|2,1,0]=4 3933 B15R1.12847 COc1cnc(cc1SC[C@@H](O)CF)C 62a_100015614560_100010109759 [0,1,0,0,0,0|2,1,0]=4 3934 B15R1.12847 COc1cnc(cc1SC[C@@H](O)CO)C 62a_100009815848_100010109759 [0,1,0,0,0,0|1,1,0]=3 3935 B15R1.12847 COc1cnc(cc1SC[C@@H](O)CO)C 62a_100010109759_100009815848 [0,1,0,0,0,0|1,1,0]=3 3936 B15R1.12847 COc1ncc(cc1OCC(O)CO)Br 34a_100010135713_100011219619 [0,1,0,0,0,0|1,0,0]=2 3937 B15R1.12847 COc1ncc(cc1OC[C@@H](C)CO)Br 34a_100010135713_100000059175 [0,1,0,0,0,0|2,0,0]=3 3938 B15R1.12847 COc1ncc(cc1OC[C@@H](O)CF)Br 34a_100010135713_100015614560 [0,1,0,0,0,0|2,0,0]=3 3939 B15R1.12847 COc1ncc(cc1OC[C@@H](O)CO)Br 34a_100010135713_100009815848 [0,1,0,0,0,0|1,0,0]=2 3940 B15R1.12847 COc1ncc(cc1SCC(O)CO)Br 62a_100009814608_100011219619 [0,1,0,0,0,0|1,1,0]=3 3941 B15R1.12847 COc1ncc(cc1SCC(O)CO)Br 62a_100011219619_100009814608 [0,1,0,0,0,0|1,1,0]=3 3942 B15R1.12847 COc1ncc(cc1SCC(O)CO)C 62a_100011219619_100012353929 [0,1,0,0,0,0|1,1,0]=3 3943 B15R1.12847 COc1ncc(cc1SCC(O)CO)C 62a_100012353929_100011219619 [0,1,0,0,0,0|1,1,0]=3 3944 B15R1.12847 COc1ncc(cc1SCC(O)CO)F 62a_100009828472_100011219619 [0,1,0,0,0,0|1,1,0]=3 3945 B15R1.12847 COc1ncc(cc1SCC(O)CO)F 62a_100011219619_100009828472 [0,1,0,0,0,0|1,1,0]=3 3946 B15R1.12847 COc1ncc(cc1SCC(O)CO)N 62a_100011219619_100012351452 [0,1,0,0,0,0|1,1,0]=3 3947 B15R1.12847 COc1ncc(cc1SCC(O)CO)N 62a_100012351452_100011219619 [0,1,0,0,0,0|1,1,0]=3 3948 B15R1.12847 COc1ncc(cc1SC[C@@H](C)CO)Br 62a_100000059175_100009814608 [0,1,0,0,0,0|2,1,0]=4 3949 B15R1.12847 COc1ncc(cc1SC[C@@H](C)CO)Br 62a_100009814608_100000059175 [0,1,0,0,0,0|2,1,0]=4 3950 B15R1.12847 COc1ncc(cc1SC[C@@H](C)CO)C 62a_100000059175_100012353929 [0,1,0,0,0,0|2,1,0]=4 3951 B15R1.12847 COc1ncc(cc1SC[C@@H](C)CO)C 62a_100012353929_100000059175 [0,1,0,0,0,0|2,1,0]=4 3952 B15R1.12847 COc1ncc(cc1SC[C@@H](C)CO)F 62a_100000059175_100009828472 [0,1,0,0,0,0|2,1,0]=4 3953 B15R1.12847 COc1ncc(cc1SC[C@@H](C)CO)F 62a_100009828472_100000059175 [0,1,0,0,0,0|2,1,0]=4 3954 B15R1.12847 COc1ncc(cc1SC[C@@H](C)CO)N 62a_100000059175_100012351452 [0,1,0,0,0,0|2,1,0]=4 3955 B15R1.12847 COc1ncc(cc1SC[C@@H](C)CO)N 62a_100012351452_100000059175 [0,1,0,0,0,0|2,1,0]=4 3956 B15R1.12847 COc1ncc(cc1SC[C@@H](O)CF)Br 62a_100009814608_100015614560 [0,1,0,0,0,0|2,1,0]=4 3957 B15R1.12847 COc1ncc(cc1SC[C@@H](O)CF)Br 62a_100015614560_100009814608 [0,1,0,0,0,0|2,1,0]=4 3958 B15R1.12847 COc1ncc(cc1SC[C@@H](O)CF)C 62a_100012353929_100015614560 [0,1,0,0,0,0|2,1,0]=4 3959 B15R1.12847 COc1ncc(cc1SC[C@@H](O)CF)C 62a_100015614560_100012353929 [0,1,0,0,0,0|2,1,0]=4 3960 B15R1.12847 COc1ncc(cc1SC[C@@H](O)CF)F 62a_100009828472_100015614560 [0,1,0,0,0,0|2,1,0]=4 3961 B15R1.12847 COc1ncc(cc1SC[C@@H](O)CF)F 62a_100015614560_100009828472 [0,1,0,0,0,0|2,1,0]=4 3962 B15R1.12847 COc1ncc(cc1SC[C@@H](O)CF)N 62a_100012351452_100015614560 [0,1,0,0,0,0|2,1,0]=4 3963 B15R1.12847 COc1ncc(cc1SC[C@@H](O)CF)N 62a_100015614560_100012351452 [0,1,0,0,0,0|2,1,0]=4 3964 B15R1.12847 COc1ncc(cc1SC[C@@H](O)CO)Br 62a_100009814608_100009815848 [0,1,0,0,0,0|1,1,0]=3 3965 B15R1.12847 COc1ncc(cc1SC[C@@H](O)CO)Br 62a_100009815848_100009814608 [0,1,0,0,0,0|1,1,0]=3 3966 B15R1.12847 COc1ncc(cc1SC[C@@H](O)CO)C 62a_100009815848_100012353929 [0,1,0,0,0,0|1,1,0]=3 3967 B15R1.12847 COc1ncc(cc1SC[C@@H](O)CO)C 62a_100012353929_100009815848 [0,1,0,0,0,0|1,1,0]=3 3968 B15R1.12847 COc1ncc(cc1SC[C@@H](O)CO)F 62a_100009815848_100009828472 [0,1,0,0,0,0|1,1,0]=3 3969 B15R1.12847 COc1ncc(cc1SC[C@@H](O)CO)F 62a_100009828472_100009815848 [0,1,0,0,0,0|1,1,0]=3 3970 B15R1.12847 COc1ncc(cc1SC[C@@H](O)CO)N 62a_100009815848_100012351452 [0,1,0,0,0,0|1,1,0]=3 3971 B15R1.12847 COc1ncc(cc1SC[C@@H](O)CO)N 62a_100012351452_100009815848 [0,1,0,0,0,0|1,1,0]=3 3972 B15R1.12847 COc1nnc(cc1SCC(O)CO)Cl 62a_100000725446_100011219619 [0,1,0,0,0,0|2,1,0]=4 3973 B15R1.12847 COc1nnc(cc1SCC(O)CO)Cl 62a_100011219619_100000725446 [0,1,0,0,0,0|2,1,0]=4 3974 B15R1.12847 COc1nnc(cc1SC[C@@H](O)CO)Cl 62a_100000725446_100009815848 [0,1,0,0,0,0|2,1,0]=4 3975 B15R1.12847 COc1nnc(cc1SC[C@@H](O)CO)Cl 62a_100009815848_100000725446 [0,1,0,0,0,0|2,1,0]=4 3976 B15R1.12847 CSc1ccc(cc1NCC(O)CO)Cl 34a_100000745667_100011219619 [0,1,0,0,0,0|1,1,0]=3 3977 B15R1.12847 CSc1ccc(cc1NC[C@@H](C)CO)Cl 34a_100000745667_100000059175 [0,1,0,0,0,0|2,1,0]=4 3978 B15R1.12847 CSc1ccc(cc1NC[C@@H](O)CF)Cl 34a_100000745667_100015614560 [0,1,0,0,0,0|2,1,0]=4 3979 B15R1.12847 CSc1ccc(cc1NC[C@@H](O)CO)Cl 34a_100000745667_100009815848 [0,1,0,0,0,0|1,1,0]=3 3980 B15R1.12847 CSc1ccc(cc1SCC(O)CO)C 62a_100011219619_200010201864 [0,1,0,0,0,0|0,2,0]=3 3981 B15R1.12847 CSc1ccc(cc1SCC(O)CO)C 62a_200010201864_100011219619 [0,1,0,0,0,0|0,2,0]=3 3982 B15R1.12847 CSc1ccc(cc1SCC(O)CO)F 62a_100009817003_100011219619 [0,1,0,0,0,0|0,2,0]=3 3983 B15R1.12847 CSc1ccc(cc1SCC(O)CO)F 62a_100011219619_100009817003 [0,1,0,0,0,0|0,2,0]=3 3984 B15R1.12847 CSc1ccc(cc1SC[C@@H](C)CO)C 62a_100000059175_200010201864 [0,1,0,0,0,0|1,2,0]=4 3985 B15R1.12847 CSc1ccc(cc1SC[C@@H](C)CO)C 62a_200010201864_100000059175 [0,1,0,0,0,0|1,2,0]=4 3986 B15R1.12847 CSc1ccc(cc1SC[C@@H](C)CO)F 62a_100000059175_100009817003 [0,1,0,0,0,0|1,2,0]=4 3987 B15R1.12847 CSc1ccc(cc1SC[C@@H](C)CO)F 62a_100009817003_100000059175 [0,1,0,0,0,0|1,2,0]=4 3988 B15R1.12847 CSc1ccc(cc1SC[C@@H](O)CF)C 62a_100015614560_200010201864 [0,1,0,0,0,0|1,2,0]=4 3989 B15R1.12847 CSc1ccc(cc1SC[C@@H](O)CF)C 62a_200010201864_100015614560 [0,1,0,0,0,0|1,2,0]=4 3990 B15R1.12847 CSc1ccc(cc1SC[C@@H](O)CF)F 62a_100009817003_100015614560 [0,1,0,0,0,0|1,2,0]=4 3991 B15R1.12847 CSc1ccc(cc1SC[C@@H](O)CF)F 62a_100015614560_100009817003 [0,1,0,0,0,0|1,2,0]=4 3992 B15R1.12847 CSc1ccc(cc1SC[C@@H](O)CO)C 62a_100009815848_200010201864 [0,1,0,0,0,0|0,2,0]=3 3993 B15R1.12847 CSc1ccc(cc1SC[C@@H](O)CO)C 62a_200010201864_100009815848 [0,1,0,0,0,0|0,2,0]=3 3994 B15R1.12847 CSc1ccc(cc1SC[C@@H](O)CO)F 62a_100009815848_100009817003 [0,1,0,0,0,0|0,2,0]=3 3995 B15R1.12847 CSc1ccc(cc1SC[C@@H](O)CO)F 62a_100009817003_100009815848 [0,1,0,0,0,0|0,2,0]=3 3996 B15R1.12847 C[C@@H](CO)COc1cc(ccc1C#N)Br 34a_100011934713_100000059175 [0,1,0,0,0,0|3,0,0]=4 3997 B15R1.12847 C[C@@H](CO)COc1cc(ccc1C#N)Br 7a_100011934713_100000059175 [0,1,0,0,0,0|3,0,0]=4 3998 B15R1.12847 C[C@@H](CO)COc1cc(ccc1C#N)Cl 34a_100000688488_100000059175 [0,1,0,0,0,0|3,0,0]=4 3999 B15R1.12847 C[C@@H](CO)COc1cc(ccc1C#N)Cl 7a_100000688488_100000059175 [0,1,0,0,0,0|3,0,0]=4 4000 B15R1.12847 C[C@@H](CO)COc1cc(ccc1C#N)F 34a_100012185923_100000059175 [0,1,0,0,0,0|3,0,0]=4 4001 B15R1.12847 C[C@@H](CO)COc1cc(ccc1C#N)F 7a_100012185923_100000059175 [0,1,0,0,0,0|3,0,0]=4 4002 B15R1.12847 C[C@@H](CO)COc1cc(ccc1C#N)N 34a_100000094571_100000059175 [0,1,0,0,0,0|3,0,0]=4 4003 B15R1.12847 C[C@@H](CO)COc1cc(ccc1C#N)N 7a_100000094571_100000059175 [0,1,0,0,0,0|3,0,0]=4 4004 B15R1.12847 C[C@@H](CO)COc1cc(ccc1CO)Br 34a_100000071718_100000059175 [0,1,0,0,0,0|3,0,0]=4 4005 B15R1.12847 C[C@@H](CO)COc1cc(ccc1CO)Br 7a_100000071718_100000059175 [0,1,0,0,0,0|3,0,0]=4 4006 B15R1.12847 Cc1ccc(c(c1)NCC(O)CO)C#N 34a_100011218341_100011219619 [0,1,0,0,0,0|3,0,0]=4 4007 B15R1.12847 Cc1ccc(c(c1)NCC(O)CO)C#N 7a_100011218341_100011219619 [0,1,0,0,0,0|3,0,0]=4 4008 B15R1.12847 Cc1ccc(c(c1)NCC(O)CO)CO 34a_100000087799_100011219619 [0,1,0,0,0,0|3,0,0]=4 4009 B15R1.12847 Cc1ccc(c(c1)NC[C@@H](O)CO)C#N 34a_100011218341_100009815848 [0,1,0,0,0,0|3,0,0]=4 4010 B15R1.12847 Cc1ccc(c(c1)NC[C@@H](O)CO)C#N 7a_100011218341_100009815848 [0,1,0,0,0,0|3,0,0]=4 4011 B15R1.12847 Cc1ccc(c(c1)NC[C@@H](O)CO)CO 34a_100000087799_100009815848 [0,1,0,0,0,0|3,0,0]=4 4012 B15R1.12847 Cc1ccc(c(c1)OCC(O)CO)C#N 34a_100011640519_100011219619 [0,1,0,0,0,0|2,0,0]=3 4013 B15R1.12847 Cc1ccc(c(c1)OCC(O)CO)C#N 7a_100011640519_100011219619 [0,1,0,0,0,0|2,0,0]=3 4014 B15R1.12847 Cc1ccc(c(c1)OC[C@@H](C)CO)C#N 34a_100011640519_100000059175 [0,1,0,0,0,0|3,0,0]=4 4015 B15R1.12847 Cc1ccc(c(c1)OC[C@@H](C)CO)C#N 7a_100011640519_100000059175 [0,1,0,0,0,0|3,0,0]=4 4016 B15R1.12847 Cc1ccc(c(c1)OC[C@@H](O)CF)C#N 34a_100011640519_100015614560 [0,1,0,0,0,0|3,0,0]=4 4017 B15R1.12847 Cc1ccc(c(c1)OC[C@@H](O)CF)C#N 7a_100011640519_100015614560 [0,1,0,0,0,0|3,0,0]=4 4018 B15R1.12847 Cc1ccc(c(c1)OC[C@@H](O)CO)C#N 34a_100011640519_100009815848 [0,1,0,0,0,0|2,0,0]=3 4019 B15R1.12847 Cc1ccc(c(c1)OC[C@@H](O)CO)C#N 7a_100011640519_100009815848 [0,1,0,0,0,0|2,0,0]=3 4020 B15R1.12847 Cc1ccc(c(c1)SCC(O)CO)C#N 62a_100011219619_100000693804 [0,1,0,0,0,0|2,1,0]=4 4021 B15R1.12847 Cc1ccc(c(c1)SCC(O)CO)C=O 62a_100011219619_100011935181 [0,1,0,0,0,0|2,1,0]=4 4022 B15R1.12847 Cc1ccc(c(c1)SCC(O)CO)C=O 62a_100011935181_100011219619 [0,1,0,0,0,0|2,1,0]=4 4023 B15R1.12847 Cc1ccc(c(c1)SCC(O)CO)NN 62a_100011219619_100016996181 [0,1,0,0,0,0|2,1,0]=4 4024 B15R1.12847 Cc1ccc(c(c1)SCC(O)CO)NN 62a_100016996181_100011219619 [0,1,0,0,0,0|2,1,0]=4 4025 B15R1.12847 Cc1ccc(c(c1)SC[C@@H](O)CO)C#N 62a_100009815848_100000693804 [0,1,0,0,0,0|2,1,0]=4 4026 B15R1.12847 Cc1ccc(c(c1)SC[C@@H](O)CO)C=O 62a_100009815848_100011935181 [0,1,0,0,0,0|2,1,0]=4 4027 B15R1.12847 Cc1ccc(c(c1)SC[C@@H](O)CO)C=O 62a_100011935181_100009815848 [0,1,0,0,0,0|2,1,0]=4 4028 B15R1.12847 Cc1ccc(c(c1)SC[C@@H](O)CO)NN 62a_100009815848_100016996181 [0,1,0,0,0,0|2,1,0]=4 4029 B15R1.12847 Cc1ccc(c(c1)SC[C@@H](O)CO)NN 62a_100016996181_100009815848 [0,1,0,0,0,0|2,1,0]=4 4030 B15R1.12847 N#Cc1ccc(cc1NCC(O)CO)Br 7a_100000699244_100011219619 [0,1,0,0,0,0|3,0,0]=4 4031 B15R1.12847 N#Cc1ccc(cc1NCC(O)CO)Cl 34a_100000211392_100011219619 [0,1,0,0,0,0|3,0,0]=4 4032 B15R1.12847 N#Cc1ccc(cc1NCC(O)CO)Cl 7a_100000211392_100011219619 [0,1,0,0,0,0|3,0,0]=4 4033 B15R1.12847 N#Cc1ccc(cc1NCC(O)CO)F 34a_100011935279_100011219619 [0,1,0,0,0,0|3,0,0]=4 4034 B15R1.12847 N#Cc1ccc(cc1NCC(O)CO)F 7a_100011935279_100011219619 [0,1,0,0,0,0|3,0,0]=4 4035 B15R1.12847 N#Cc1ccc(cc1NC[C@@H](O)CO)Br 7a_100000699244_100009815848 [0,1,0,0,0,0|3,0,0]=4 4036 B15R1.12847 N#Cc1ccc(cc1NC[C@@H](O)CO)Cl 34a_100000211392_100009815848 [0,1,0,0,0,0|3,0,0]=4 4037 B15R1.12847 N#Cc1ccc(cc1NC[C@@H](O)CO)Cl 7a_100000211392_100009815848 [0,1,0,0,0,0|3,0,0]=4 4038 B15R1.12847 N#Cc1ccc(cc1NC[C@@H](O)CO)F 34a_100011935279_100009815848 [0,1,0,0,0,0|3,0,0]=4 4039 B15R1.12847 N#Cc1ccc(cc1NC[C@@H](O)CO)F 7a_100011935279_100009815848 [0,1,0,0,0,0|3,0,0]=4 4040 B15R1.12847 N#Cc1ccc(cc1NC[C@H](O)CO)Br 27a_100020644852_100010214477 [0,1,0,0,0,0|3,0,0]=4 4041 B15R1.12847 N#Cc1ccc(cc1NC[C@H](O)CO)Cl 27a_100020644852_100012355178 [0,1,0,0,0,0|3,0,0]=4 4042 B15R1.12847 N#Cc1ccc(cc1NC[C@H](O)CO)F 27a_100020644852_100011935285 [0,1,0,0,0,0|3,0,0]=4 4043 B15R1.12847 N#Cc1ccc(cc1OCC(O)CO)Br 34a_100011934713_100011219619 [0,1,0,0,0,0|2,0,0]=3 4044 B15R1.12847 N#Cc1ccc(cc1OCC(O)CO)Br 7a_100011934713_100011219619 [0,1,0,0,0,0|2,0,0]=3 4045 B15R1.12847 N#Cc1ccc(cc1OCC(O)CO)Cl 34a_100000688488_100011219619 [0,1,0,0,0,0|2,0,0]=3 4046 B15R1.12847 N#Cc1ccc(cc1OCC(O)CO)Cl 7a_100000688488_100011219619 [0,1,0,0,0,0|2,0,0]=3 4047 B15R1.12847 N#Cc1ccc(cc1OCC(O)CO)F 34a_100012185923_100011219619 [0,1,0,0,0,0|2,0,0]=3 4048 B15R1.12847 N#Cc1ccc(cc1OCC(O)CO)F 7a_100012185923_100011219619 [0,1,0,0,0,0|2,0,0]=3 4049 B15R1.12847 N#Cc1ccc(cc1OCC(O)CO)N 34a_100000094571_100011219619 [0,1,0,0,0,0|2,0,0]=3 4050 B15R1.12847 N#Cc1ccc(cc1OCC(O)CO)N 7a_100000094571_100011219619 [0,1,0,0,0,0|2,0,0]=3 4051 B15R1.12847 N#Cc1ccc(cc1OC[C@@H](O)CF)Br 34a_100011934713_100015614560 [0,1,0,0,0,0|3,0,0]=4 4052 B15R1.12847 N#Cc1ccc(cc1OC[C@@H](O)CF)Br 7a_100011934713_100015614560 [0,1,0,0,0,0|3,0,0]=4 4053 B15R1.12847 N#Cc1ccc(cc1OC[C@@H](O)CF)Cl 34a_100000688488_100015614560 [0,1,0,0,0,0|3,0,0]=4 4054 B15R1.12847 N#Cc1ccc(cc1OC[C@@H](O)CF)Cl 7a_100000688488_100015614560 [0,1,0,0,0,0|3,0,0]=4 4055 B15R1.12847 N#Cc1ccc(cc1OC[C@@H](O)CF)F 34a_100012185923_100015614560 [0,1,0,0,0,0|3,0,0]=4 4056 B15R1.12847 N#Cc1ccc(cc1OC[C@@H](O)CF)F 7a_100012185923_100015614560 [0,1,0,0,0,0|3,0,0]=4 4057 B15R1.12847 N#Cc1ccc(cc1OC[C@@H](O)CF)N 34a_100000094571_100015614560 [0,1,0,0,0,0|3,0,0]=4 4058 B15R1.12847 N#Cc1ccc(cc1OC[C@@H](O)CF)N 7a_100000094571_100015614560 [0,1,0,0,0,0|3,0,0]=4 4059 B15R1.12847 N#Cc1ccc(cc1OC[C@@H](O)CO)Br 34a_100011934713_100009815848 [0,1,0,0,0,0|2,0,0]=3 4060 B15R1.12847 N#Cc1ccc(cc1OC[C@@H](O)CO)Br 7a_100011934713_100009815848 [0,1,0,0,0,0|2,0,0]=3 4061 B15R1.12847 N#Cc1ccc(cc1OC[C@@H](O)CO)Cl 34a_100000688488_100009815848 [0,1,0,0,0,0|2,0,0]=3 4062 B15R1.12847 N#Cc1ccc(cc1OC[C@@H](O)CO)Cl 7a_100000688488_100009815848 [0,1,0,0,0,0|2,0,0]=3 4063 B15R1.12847 N#Cc1ccc(cc1OC[C@@H](O)CO)F 34a_100012185923_100009815848 [0,1,0,0,0,0|2,0,0]=3 4064 B15R1.12847 N#Cc1ccc(cc1OC[C@@H](O)CO)F 7a_100012185923_100009815848 [0,1,0,0,0,0|2,0,0]=3 4065 B15R1.12847 N#Cc1ccc(cc1OC[C@@H](O)CO)N 34a_100000094571_100009815848 [0,1,0,0,0,0|2,0,0]=3 4066 B15R1.12847 N#Cc1ccc(cc1OC[C@@H](O)CO)N 7a_100000094571_100009815848 [0,1,0,0,0,0|2,0,0]=3 4067 B15R1.12847 N#Cc1ccc(cc1SCC(O)CO)Br 62a_100011219619_100010214477 [0,1,0,0,0,0|2,1,0]=4 4068 B15R1.12847 N#Cc1ccc(cc1SCC(O)CO)Cl 62a_100011219619_100012355178 [0,1,0,0,0,0|2,1,0]=4 4069 B15R1.12847 N#Cc1ccc(cc1SCC(O)CO)F 62a_100011219619_100011935285 [0,1,0,0,0,0|2,1,0]=4 4070 B15R1.12847 N#Cc1ccc(cc1SCC(O)CO)N 62a_100011219619_100000689153 [0,1,0,0,0,0|2,1,0]=4 4071 B15R1.12847 N#Cc1ccc(cc1SCC(O)CO)O 62a_100011219619_100012184851 [0,1,0,0,0,0|2,1,0]=4 4072 B15R1.12847 N#Cc1ccc(cc1SC[C@@H](O)CO)Br 62a_100009815848_100010214477 [0,1,0,0,0,0|2,1,0]=4 4073 B15R1.12847 N#Cc1ccc(cc1SC[C@@H](O)CO)Cl 62a_100009815848_100012355178 [0,1,0,0,0,0|2,1,0]=4 4074 B15R1.12847 N#Cc1ccc(cc1SC[C@@H](O)CO)F 62a_100009815848_100011935285 [0,1,0,0,0,0|2,1,0]=4 4075 B15R1.12847 N#Cc1ccc(cc1SC[C@@H](O)CO)N 62a_100009815848_100000689153 [0,1,0,0,0,0|2,1,0]=4 4076 B15R1.12847 N#Cc1ccc(cc1SC[C@@H](O)CO)O 62a_100009815848_100012184851 [0,1,0,0,0,0|2,1,0]=4 4077 B15R1.12847 N#Cc1ncc(cc1OCC(O)CO)Br 34a_200013853302_100011219619 [0,1,0,0,0,0|3,0,0]=4 4078 B15R1.12847 N#Cc1ncc(cc1OCC(O)CO)Br 7a_200013853302_100011219619 [0,1,0,0,0,0|3,0,0]=4 4079 B15R1.12847 N#Cc1ncc(cc1OC[C@@H](O)CO)Br 34a_200013853302_100009815848 [0,1,0,0,0,0|3,0,0]=4 4080 B15R1.12847 N#Cc1ncc(cc1OC[C@@H](O)CO)Br 7a_200013853302_100009815848 [0,1,0,0,0,0|3,0,0]=4 4081 B15R1.12847 NCc1ccc(cc1SCC(O)CO)F 62a_100000708791_100011219619 [0,1,0,0,0,0|2,1,0]=4 4082 B15R1.12847 NCc1ccc(cc1SCC(O)CO)F 62a_100011219619_100000708791 [0,1,0,0,0,0|2,1,0]=4 4083 B15R1.12847 NCc1ccc(cc1SC[C@@H](O)CO)F 62a_100000708791_100009815848 [0,1,0,0,0,0|2,1,0]=4 4084 B15R1.12847 NCc1ccc(cc1SC[C@@H](O)CO)F 62a_100009815848_100000708791 [0,1,0,0,0,0|2,1,0]=4 4085 B15R1.12847 O=Cc1ccc(cc1SCC(O)CO)Br 62a_100010146562_100011219619 [0,1,0,0,0,0|2,1,0]=4 4086 B15R1.12847 O=Cc1ccc(cc1SCC(O)CO)Br 62a_100011219619_100010146562 [0,1,0,0,0,0|2,1,0]=4 4087 B15R1.12847 O=Cc1ccc(cc1SCC(O)CO)F 62a_100000752949_100011219619 [0,1,0,0,0,0|2,1,0]=4 4088 B15R1.12847 O=Cc1ccc(cc1SCC(O)CO)F 62a_100011219619_100000752949 [0,1,0,0,0,0|2,1,0]=4 4089 B15R1.12847 O=Cc1ccc(cc1SCC(O)CO)O 62a_100011219619_100011236494 [0,1,0,0,0,0|2,1,0]=4 4090 B15R1.12847 O=Cc1ccc(cc1SCC(O)CO)O 62a_100011236494_100011219619 [0,1,0,0,0,0|2,1,0]=4 4091 B15R1.12847 O=Cc1ccc(cc1SC[C@@H](O)CO)Br 62a_100009815848_100010146562 [0,1,0,0,0,0|2,1,0]=4 4092 B15R1.12847 O=Cc1ccc(cc1SC[C@@H](O)CO)Br 62a_100010146562_100009815848 [0,1,0,0,0,0|2,1,0]=4 4093 B15R1.12847 O=Cc1ccc(cc1SC[C@@H](O)CO)F 62a_100000752949_100009815848 [0,1,0,0,0,0|2,1,0]=4 4094 B15R1.12847 O=Cc1ccc(cc1SC[C@@H](O)CO)F 62a_100009815848_100000752949 [0,1,0,0,0,0|2,1,0]=4 4095 B15R1.12847 O=Cc1ccc(cc1SC[C@@H](O)CO)O 62a_100009815848_100011236494 [0,1,0,0,0,0|2,1,0]=4 4096 B15R1.12847 O=Cc1ccc(cc1SC[C@@H](O)CO)O 62a_100011236494_100009815848 [0,1,0,0,0,0|2,1,0]=4 4097 B15R1.12847 OCc1ccc(cc1NCC(O)CO)Br 34a_100000718831_100011219619 [0,1,0,0,0,0|3,0,0]=4 4098 B15R1.12847 OCc1ccc(cc1NCC(O)CO)Cl 34a_100000238622_100011219619 [0,1,0,0,0,0|3,0,0]=4 4099 B15R1.12847 OCc1ccc(cc1NCC(O)CO)F 34a_100011996588_100011219619 [0,1,0,0,0,0|3,0,0]=4 4100 B15R1.12847 OCc1ccc(cc1NC[C@@H](O)CO)Br 34a_100000718831_100009815848 [0,1,0,0,0,0|3,0,0]=4 4101 B15R1.12847 OCc1ccc(cc1NC[C@@H](O)CO)Cl 34a_100000238622_100009815848 [0,1,0,0,0,0|3,0,0]=4 4102 B15R1.12847 OCc1ccc(cc1NC[C@@H](O)CO)F 34a_100011996588_100009815848 [0,1,0,0,0,0|3,0,0]=4 4103 B15R1.12847 OCc1ccc(cc1OCC(O)CO)Br 34a_100000071718_100011219619 [0,1,0,0,0,0|2,0,0]=3 4104 B15R1.12847 OCc1ccc(cc1OCC(O)CO)Br 7a_100000071718_100011219619 [0,1,0,0,0,0|2,0,0]=3 4105 B15R1.12847 OCc1ccc(cc1OC[C@@H](O)CF)Br 34a_100000071718_100015614560 [0,1,0,0,0,0|3,0,0]=4 4106 B15R1.12847 OCc1ccc(cc1OC[C@@H](O)CF)Br 7a_100000071718_100015614560 [0,1,0,0,0,0|3,0,0]=4 4107 B15R1.12847 OCc1ccc(cc1OC[C@@H](O)CO)Br 34a_100000071718_100009815848 [0,1,0,0,0,0|2,0,0]=3 4108 B15R1.12847 OCc1ccc(cc1OC[C@@H](O)CO)Br 7a_100000071718_100009815848 [0,1,0,0,0,0|2,0,0]=3 4109 B15R1.12847 OCc1ccc(cc1SCC(O)CO)Br 62a_100010146605_100011219619 [0,1,0,0,0,0|2,1,0]=4 4110 B15R1.12847 OCc1ccc(cc1SCC(O)CO)Br 62a_100011219619_100010146605 [0,1,0,0,0,0|2,1,0]=4 4111 B15R1.12847 OCc1ccc(cc1SCC(O)CO)Cl 62a_100000722340_100011219619 [0,1,0,0,0,0|2,1,0]=4 4112 B15R1.12847 OCc1ccc(cc1SCC(O)CO)Cl 62a_100011219619_100000722340 [0,1,0,0,0,0|2,1,0]=4 4113 B15R1.12847 OCc1ccc(cc1SCC(O)CO)F 62a_100000744086_100011219619 [0,1,0,0,0,0|2,1,0]=4 4114 B15R1.12847 OCc1ccc(cc1SCC(O)CO)F 62a_100011219619_100000744086 [0,1,0,0,0,0|2,1,0]=4 4115 B15R1.12847 OCc1ccc(cc1SCC(O)CO)O 62a_100010146404_100011219619 [0,1,0,0,0,0|2,1,0]=4 4116 B15R1.12847 OCc1ccc(cc1SCC(O)CO)O 62a_100011219619_100010146404 [0,1,0,0,0,0|2,1,0]=4 4117 B15R1.12847 OCc1ccc(cc1SC[C@@H](O)CO)Br 62a_100009815848_100010146605 [0,1,0,0,0,0|2,1,0]=4 4118 B15R1.12847 OCc1ccc(cc1SC[C@@H](O)CO)Br 62a_100010146605_100009815848 [0,1,0,0,0,0|2,1,0]=4 4119 B15R1.12847 OCc1ccc(cc1SC[C@@H](O)CO)Cl 62a_100000722340_100009815848 [0,1,0,0,0,0|2,1,0]=4 4120 B15R1.12847 OCc1ccc(cc1SC[C@@H](O)CO)Cl 62a_100009815848_100000722340 [0,1,0,0,0,0|2,1,0]=4 4121 B15R1.12847 OCc1ccc(cc1SC[C@@H](O)CO)F 62a_100000744086_100009815848 [0,1,0,0,0,0|2,1,0]=4 4122 B15R1.12847 OCc1ccc(cc1SC[C@@H](O)CO)F 62a_100009815848_100000744086 [0,1,0,0,0,0|2,1,0]=4 4123 B15R1.12847 OCc1ccc(cc1SC[C@@H](O)CO)O 62a_100009815848_100010146404 [0,1,0,0,0,0|2,1,0]=4 4124 B15R1.12847 OCc1ccc(cc1SC[C@@H](O)CO)O 62a_100010146404_100009815848 [0,1,0,0,0,0|2,1,0]=4 4125 B15R1.13065 C#Cc1cc(ccc1NCC(O)CO)C 34a_200012001881_100011219619 [0,1,0,0,0,0|2,0,1]=4 4126 B15R1.13065 C#Cc1cc(ccc1NC[C@@H](O)CO)C 34a_200012001881_100009815848 [0,1,0,0,0,0|2,0,1]=4 4127 B15R1.13065 C=CC(O)CNc1ccc(cc1OC)Br 34a_100011279103_100000730141 [0,1,0,0,0,0|2,0,1]=4 4128 B15R1.13065 C=CC(O)CNc1ccc(cc1OC)C 2230a_100000746441_100000730141 [0,1,0,0,0,0|2,0,1]=4 4129 B15R1.13065 C=CC(O)CNc1ccc(cc1OC)C 34a_100000746441_100000730141 [0,1,0,0,0,0|2,0,1]=4 4130 B15R1.13065 C=CC(O)CNc1ccc(cc1OC)Cl 34a_100000707585_100000730141 [0,1,0,0,0,0|2,0,1]=4 4131 B15R1.13065 C=CC(O)CNc1ccc(cc1OC)F 34a_100000737216_100000730141 [0,1,0,0,0,0|2,0,1]=4 4132 B15R1.13065 C=CC(O)CNc1ccc(cc1OC)I 34a_100015196925_100000730141 [0,1,0,0,0,0|2,0,1]=4 4133 B15R1.13065 C=CC(O)CNc1ccc(cc1OC)O 34a_100015326901_100000730141 [0,1,0,0,0,0|2,0,1]=4 4134 B15R1.13065 C=CC(O)COc1ccc(cc1CC)Br 34a_100012338938_100000730141 [0,1,0,0,0,0|2,0,1]=4 4135 B15R1.13065 C=CC(O)COc1ccc(cc1CC)Br 7a_100012338938_100000730141 [0,1,0,0,0,0|2,0,1]=4 4136 B15R1.13065 C=CC(O)COc1ccc(cc1CC)C 34a_100009844793_100000730141 [0,1,0,0,0,0|2,0,1]=4 4137 B15R1.13065 C=CC(O)COc1ccc(cc1CC)C 7a_100009844793_100000730141 [0,1,0,0,0,0|2,0,1]=4 4138 B15R1.13065 C=CC(O)COc1ccc(cc1CC)F 34a_200000035566_100000730141 [0,1,0,0,0,0|2,0,1]=4 4139 B15R1.13065 C=CC(O)COc1ccc(cc1CC)F 7a_200000035566_100000730141 [0,1,0,0,0,0|2,0,1]=4 4140 B15R1.13065 C=CC(O)COc1ccc(cc1OC)Br 34a_100000694246_100000730141 [0,1,0,0,0,0|1,0,1]=3 4141 B15R1.13065 C=CC(O)COc1ccc(cc1OC)Br 7a_100000694246_100000730141 [0,1,0,0,0,0|1,0,1]=3 4142 B15R1.13065 C=CC(O)COc1ccc(cc1OC)C 34a_100000186466_100000730141 [0,1,0,0,0,0|1,0,1]=3 4143 B15R1.13065 C=CC(O)COc1ccc(cc1OC)Cl 34a_100000033002_100000730141 [0,1,0,0,0,0|1,0,1]=3 4144 B15R1.13065 C=CC(O)COc1ccc(cc1OC)F 34a_100000036057_100000730141 [0,1,0,0,0,0|1,0,1]=3 4145 B15R1.13065 C=CC(O)COc1ccc(cc1OC)F 7a_100000036057_100000730141 [0,1,0,0,0,0|1,0,1]=3 4146 B15R1.13065 C=CC(O)COc1ccc(cc1OC)I 34a_100000049635_100000730141 [0,1,0,0,0,0|1,0,1]=3 4147 B15R1.13065 C=CC(O)COc1ccc(cc1OC)N 34a_100000726020_100000730141 [0,1,0,0,0,0|1,0,1]=3 4148 B15R1.13065 C=CC(O)COc1ccc(nc1OC)Br 34a_100010893133_100000730141 [0,1,0,0,0,0|2,0,1]=4 4149 B15R1.13065 C=CC(O)COc1ncc(cc1OC)Cl 34a_200009845368_100000730141 [0,1,0,0,0,0|2,0,1]=4 4150 B15R1.13065 C=CC(O)CSc1ccc(cc1OC)Br 62a_100000730141_100010245111 [0,1,0,0,0,0|1,1,1]=4 4151 B15R1.13065 C=CC(O)CSc1ccc(cc1OC)Br 62a_100010245111_100000730141 [0,1,0,0,0,0|1,1,1]=4 4152 B15R1.13065 C=CC(O)CSc1ccc(cc1OC)C 62a_100000730141_100010200004 [0,1,0,0,0,0|1,1,1]=4 4153 B15R1.13065 C=CC(O)CSc1ccc(cc1OC)C 62a_100010200004_100000730141 [0,1,0,0,0,0|1,1,1]=4 4154 B15R1.13065 C=CC(O)CSc1ccc(cc1OC)Cl 62a_100000050115_100000730141 [0,1,0,0,0,0|1,1,1]=4 4155 B15R1.13065 C=CC(O)CSc1ccc(cc1OC)Cl 62a_100000730141_100000050115 [0,1,0,0,0,0|1,1,1]=4 4156 B15R1.13065 C=CC(O)CSc1ccc(cc1OC)F 62a_100000730141_100000757151 [0,1,0,0,0,0|1,1,1]=4 4157 B15R1.13065 C=CC(O)CSc1ccc(cc1OC)F 62a_100000757151_100000730141 [0,1,0,0,0,0|1,1,1]=4 4158 B15R1.13065 C=CC(O)CSc1ccc(cc1OC)N 62a_100000730141_100000765947 [0,1,0,0,0,0|1,1,1]=4 4159 B15R1.13065 C=CC(O)CSc1ccc(cc1OC)N 62a_100000765947_100000730141 [0,1,0,0,0,0|1,1,1]=4 4160 B15R1.13065 C=CC(O)CSc1ccc(cc1OC)O 62a_100000730141_100011827694 [0,1,0,0,0,0|1,1,1]=4 4161 B15R1.13065 C=Cc1cc(ccc1SCC(O)CO)F 62a_100011219619_100012356183 [0,1,0,0,0,0|1,1,1]=4 4162 B15R1.13065 C=Cc1cc(ccc1SCC(O)CO)F 62a_100012356183_100011219619 [0,1,0,0,0,0|1,1,1]=4 4163 B15R1.13065 C=Cc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100012356183 [0,1,0,0,0,0|1,1,1]=4 4164 B15R1.13065 C=Cc1cc(ccc1SC[C@@H](O)CO)F 62a_100012356183_100009815848 [0,1,0,0,0,0|1,1,1]=4 4165 B15R1.13065 CCC(=O)COc1ccc(cc1OC)Br 7a_100000694246_100000747405 [0,1,0,0,0,0|1,0,2]=4 4166 B15R1.13065 CCC(=O)COc1ccc(cc1OC)C 1458a_100000183895_100000210202 [0,1,0,0,0,0|1,0,2]=4 4167 B15R1.13065 CCC(=O)COc1ccc(cc1OC)F 7a_100000036057_100000747405 [0,1,0,0,0,0|1,0,2]=4 4168 B15R1.13065 CCC(C)CNc1ccc(cc1OC)Br 34a_100011279103_100000748023 [0,1,0,0,0,0|3,0,0]=4 4169 B15R1.13065 CCC(C)CNc1ccc(cc1OC)C 2230a_100000746441_100000748023 [0,1,0,0,0,0|3,0,0]=4 4170 B15R1.13065 CCC(C)CNc1ccc(cc1OC)C 34a_100000746441_100000748023 [0,1,0,0,0,0|3,0,0]=4 4171 B15R1.13065 CCC(C)CNc1ccc(cc1OC)Cl 34a_100000707585_100000748023 [0,1,0,0,0,0|3,0,0]=4 4172 B15R1.13065 CCC(C)CNc1ccc(cc1OC)F 34a_100000737216_100000748023 [0,1,0,0,0,0|3,0,0]=4 4173 B15R1.13065 CCC(C)CNc1ccc(cc1OC)I 34a_100015196925_100000748023 [0,1,0,0,0,0|3,0,0]=4 4174 B15R1.13065 CCC(C)CNc1ccc(cc1OC)O 34a_100015326901_100000748023 [0,1,0,0,0,0|3,0,0]=4 4175 B15R1.13065 CCC(C)COc1ccc(cc1OC)Br 34a_100000694246_100000748023 [0,1,0,0,0,0|2,0,0]=3 4176 B15R1.13065 CCC(C)COc1ccc(cc1OC)Br 7a_100000694246_100000748023 [0,1,0,0,0,0|2,0,0]=3 4177 B15R1.13065 CCC(C)COc1ccc(cc1OC)C 34a_100000186466_100000748023 [0,1,0,0,0,0|2,0,0]=3 4178 B15R1.13065 CCC(C)COc1ccc(cc1OC)Cl 34a_100000033002_100000748023 [0,1,0,0,0,0|2,0,0]=3 4179 B15R1.13065 CCC(C)COc1ccc(cc1OC)F 34a_100000036057_100000748023 [0,1,0,0,0,0|2,0,0]=3 4180 B15R1.13065 CCC(C)COc1ccc(cc1OC)F 7a_100000036057_100000748023 [0,1,0,0,0,0|2,0,0]=3 4181 B15R1.13065 CCC(C)COc1ccc(cc1OC)I 34a_100000049635_100000748023 [0,1,0,0,0,0|2,0,0]=3 4182 B15R1.13065 CCC(C)COc1ccc(cc1OC)N 34a_100000726020_100000748023 [0,1,0,0,0,0|2,0,0]=3 4183 B15R1.13065 CCC(C)COc1ccc(nc1OC)Br 34a_100010893133_100000748023 [0,1,0,0,0,0|3,0,0]=4 4184 B15R1.13065 CCC(C)COc1ncc(cc1OC)Cl 34a_200009845368_100000748023 [0,1,0,0,0,0|3,0,0]=4 4185 B15R1.13065 CCC(C)CSc1ccc(cc1OC)Br 62a_100000748023_100010245111 [0,1,0,0,0,0|2,1,0]=4 4186 B15R1.13065 CCC(C)CSc1ccc(cc1OC)Br 62a_100010245111_100000748023 [0,1,0,0,0,0|2,1,0]=4 4187 B15R1.13065 CCC(C)CSc1ccc(cc1OC)C 62a_100000748023_100010200004 [0,1,0,0,0,0|2,1,0]=4 4188 B15R1.13065 CCC(C)CSc1ccc(cc1OC)C 62a_100010200004_100000748023 [0,1,0,0,0,0|2,1,0]=4 4189 B15R1.13065 CCC(C)CSc1ccc(cc1OC)Cl 62a_100000050115_100000748023 [0,1,0,0,0,0|2,1,0]=4 4190 B15R1.13065 CCC(C)CSc1ccc(cc1OC)Cl 62a_100000748023_100000050115 [0,1,0,0,0,0|2,1,0]=4 4191 B15R1.13065 CCC(C)CSc1ccc(cc1OC)F 62a_100000748023_100000757151 [0,1,0,0,0,0|2,1,0]=4 4192 B15R1.13065 CCC(C)CSc1ccc(cc1OC)F 62a_100000757151_100000748023 [0,1,0,0,0,0|2,1,0]=4 4193 B15R1.13065 CCC(C)CSc1ccc(cc1OC)N 62a_100000748023_100000765947 [0,1,0,0,0,0|2,1,0]=4 4194 B15R1.13065 CCC(C)CSc1ccc(cc1OC)N 62a_100000765947_100000748023 [0,1,0,0,0,0|2,1,0]=4 4195 B15R1.13065 CCC(C)CSc1ccc(cc1OC)O 62a_100000748023_100011827694 [0,1,0,0,0,0|2,1,0]=4 4196 B15R1.13065 CCC(O)CNc1ccc(cc1OC)Br 34a_100011279103_100011218378 [0,1,0,0,0,0|2,0,0]=3 4197 B15R1.13065 CCC(O)CNc1ccc(cc1OC)C 2230a_100000746441_100011218378 [0,1,0,0,0,0|2,0,0]=3 4198 B15R1.13065 CCC(O)CNc1ccc(cc1OC)C 34a_100000746441_100011218378 [0,1,0,0,0,0|2,0,0]=3 4199 B15R1.13065 CCC(O)CNc1ccc(cc1OC)Cl 34a_100000707585_100011218378 [0,1,0,0,0,0|2,0,0]=3 4200 B15R1.13065 CCC(O)CNc1ccc(cc1OC)F 34a_100000737216_100011218378 [0,1,0,0,0,0|2,0,0]=3 4201 B15R1.13065 CCC(O)CNc1ccc(cc1OC)I 34a_100015196925_100011218378 [0,1,0,0,0,0|2,0,0]=3 4202 B15R1.13065 CCC(O)CNc1ccc(cc1OC)O 34a_100015326901_100011218378 [0,1,0,0,0,0|2,0,0]=3 4203 B15R1.13065 CCC(O)COc1ccc(cc1C#N)Br 34a_100000687585_100011218378 [0,1,0,0,0,0|3,0,0]=4 4204 B15R1.13065 CCC(O)COc1ccc(cc1C#N)Br 7a_100000687585_100011218378 [0,1,0,0,0,0|3,0,0]=4 4205 B15R1.13065 CCC(O)COc1ccc(cc1C#N)C 34a_200012180384_100011218378 [0,1,0,0,0,0|3,0,0]=4 4206 B15R1.13065 CCC(O)COc1ccc(cc1C#N)C 7a_200012180384_100011218378 [0,1,0,0,0,0|3,0,0]=4 4207 B15R1.13065 CCC(O)COc1ccc(cc1C#N)Cl 34a_100011219380_100011218378 [0,1,0,0,0,0|3,0,0]=4 4208 B15R1.13065 CCC(O)COc1ccc(cc1C#N)Cl 7a_100011219380_100011218378 [0,1,0,0,0,0|3,0,0]=4 4209 B15R1.13065 CCC(O)COc1ccc(cc1C#N)F 34a_100011900173_100011218378 [0,1,0,0,0,0|3,0,0]=4 4210 B15R1.13065 CCC(O)COc1ccc(cc1C#N)F 7a_100011900173_100011218378 [0,1,0,0,0,0|3,0,0]=4 4211 B15R1.13065 CCC(O)COc1ccc(cc1C#N)I 34a_200000049958_100011218378 [0,1,0,0,0,0|3,0,0]=4 4212 B15R1.13065 CCC(O)COc1ccc(cc1C#N)I 7a_200000049958_100011218378 [0,1,0,0,0,0|3,0,0]=4 4213 B15R1.13065 CCC(O)COc1ccc(cc1C#N)N 34a_100011249283_100011218378 [0,1,0,0,0,0|3,0,0]=4 4214 B15R1.13065 CCC(O)COc1ccc(cc1C#N)N 7a_100011249283_100011218378 [0,1,0,0,0,0|3,0,0]=4 4215 B15R1.13065 CCC(O)COc1ccc(cc1CBr)F 34a_100010161318_100011218378 [0,1,0,0,0,0|3,0,0]=4 4216 B15R1.13065 CCC(O)COc1ccc(cc1CBr)F 7a_100010161318_100011218378 [0,1,0,0,0,0|3,0,0]=4 4217 B15R1.13065 CCC(O)COc1ccc(cc1CN)Br 34a_100000730032_100011218378 [0,1,0,0,0,0|3,0,0]=4 4218 B15R1.13065 CCC(O)COc1ccc(cc1CN)Cl 34a_100000238540_100011218378 [0,1,0,0,0,0|3,0,0]=4 4219 B15R1.13065 CCC(O)COc1ccc(cc1CO)Br 34a_100000184703_100011218378 [0,1,0,0,0,0|3,0,0]=4 4220 B15R1.13065 CCC(O)COc1ccc(cc1CO)Br 7a_100000184703_100011218378 [0,1,0,0,0,0|3,0,0]=4 4221 B15R1.13065 CCC(O)COc1ccc(cc1CO)C 34a_200011846009_100011218378 [0,1,0,0,0,0|3,0,0]=4 4222 B15R1.13065 CCC(O)COc1ccc(cc1CO)C 7a_200011846009_100011218378 [0,1,0,0,0,0|3,0,0]=4 4223 B15R1.13065 CCC(O)COc1ccc(cc1CO)Cl 34a_100011218961_100011218378 [0,1,0,0,0,0|3,0,0]=4 4224 B15R1.13065 CCC(O)COc1ccc(cc1CO)Cl 7a_100011218961_100011218378 [0,1,0,0,0,0|3,0,0]=4 4225 B15R1.13065 CCC(O)COc1ccc(cc1CO)F 34a_100011291448_100011218378 [0,1,0,0,0,0|3,0,0]=4 4226 B15R1.13065 CCC(O)COc1ccc(cc1CO)F 7a_100011291448_100011218378 [0,1,0,0,0,0|3,0,0]=4 4227 B15R1.13065 CCC(O)COc1ccc(cc1CO)I 34a_100000049520_100011218378 [0,1,0,0,0,0|3,0,0]=4 4228 B15R1.13065 CCC(O)COc1ccc(cc1CO)I 7a_100000049520_100011218378 [0,1,0,0,0,0|3,0,0]=4 4229 B15R1.13065 CCC(O)COc1ccc(cc1OC)Br 34a_100000694246_100011218378 [0,1,0,0,0,0|1,0,0]=2 4230 B15R1.13065 CCC(O)COc1ccc(cc1OC)Br 7a_100000694246_100011218378 [0,1,0,0,0,0|1,0,0]=2 4231 B15R1.13065 CCC(O)COc1ccc(cc1OC)C 34a_100000186466_100011218378 [0,1,0,0,0,0|1,0,0]=2 4232 B15R1.13065 CCC(O)COc1ccc(cc1OC)Cl 34a_100000033002_100011218378 [0,1,0,0,0,0|1,0,0]=2 4233 B15R1.13065 CCC(O)COc1ccc(cc1OC)F 34a_100000036057_100011218378 [0,1,0,0,0,0|1,0,0]=2 4234 B15R1.13065 CCC(O)COc1ccc(cc1OC)F 7a_100000036057_100011218378 [0,1,0,0,0,0|1,0,0]=2 4235 B15R1.13065 CCC(O)COc1ccc(cc1OC)I 34a_100000049635_100011218378 [0,1,0,0,0,0|1,0,0]=2 4236 B15R1.13065 CCC(O)COc1ccc(cc1OC)N 34a_100000726020_100011218378 [0,1,0,0,0,0|1,0,0]=2 4237 B15R1.13065 CCC(O)COc1ccc(nc1OC)Br 34a_100010893133_100011218378 [0,1,0,0,0,0|2,0,0]=3 4238 B15R1.13065 CCC(O)COc1ncc(cc1OC)Cl 34a_200009845368_100011218378 [0,1,0,0,0,0|2,0,0]=3 4239 B15R1.13065 CCC(O)CSc1ccc(cc1NC)F 62a_100011218378_100020633008 [0,1,0,0,0,0|2,1,0]=4 4240 B15R1.13065 CCC(O)CSc1ccc(cc1NC)F 62a_100020633008_100011218378 [0,1,0,0,0,0|2,1,0]=4 4241 B15R1.13065 CCC(O)CSc1ccc(cc1OC)Br 62a_100010245111_100011218378 [0,1,0,0,0,0|1,1,0]=3 4242 B15R1.13065 CCC(O)CSc1ccc(cc1OC)Br 62a_100011218378_100010245111 [0,1,0,0,0,0|1,1,0]=3 4243 B15R1.13065 CCC(O)CSc1ccc(cc1OC)C 62a_100010200004_100011218378 [0,1,0,0,0,0|1,1,0]=3 4244 B15R1.13065 CCC(O)CSc1ccc(cc1OC)C 62a_100011218378_100010200004 [0,1,0,0,0,0|1,1,0]=3 4245 B15R1.13065 CCC(O)CSc1ccc(cc1OC)Cl 62a_100000050115_100011218378 [0,1,0,0,0,0|1,1,0]=3 4246 B15R1.13065 CCC(O)CSc1ccc(cc1OC)Cl 62a_100011218378_100000050115 [0,1,0,0,0,0|1,1,0]=3 4247 B15R1.13065 CCC(O)CSc1ccc(cc1OC)F 62a_100000757151_100011218378 [0,1,0,0,0,0|1,1,0]=3 4248 B15R1.13065 CCC(O)CSc1ccc(cc1OC)F 62a_100011218378_100000757151 [0,1,0,0,0,0|1,1,0]=3 4249 B15R1.13065 CCC(O)CSc1ccc(cc1OC)N 62a_100000765947_100011218378 [0,1,0,0,0,0|1,1,0]=3 4250 B15R1.13065 CCC(O)CSc1ccc(cc1OC)N 62a_100011218378_100000765947 [0,1,0,0,0,0|1,1,0]=3 4251 B15R1.13065 CCC(O)CSc1ccc(cc1OC)O 62a_100011218378_100011827694 [0,1,0,0,0,0|1,1,0]=3 4252 B15R1.13065 CCC(O)CSc1ccc(cc1SC)C 62a_100011218378_200010709736 [0,1,0,0,0,0|1,2,0]=4 4253 B15R1.13065 CCC(O)CSc1ccc(cc1SC)C 62a_200010709736_100011218378 [0,1,0,0,0,0|1,2,0]=4 4254 B15R1.13065 CCC(O)CSc1ccc(nc1OC)C 62a_100010138632_100011218378 [0,1,0,0,0,0|2,1,0]=4 4255 B15R1.13065 CCC(O)CSc1ccc(nc1OC)C 62a_100011218378_100010138632 [0,1,0,0,0,0|2,1,0]=4 4256 B15R1.13065 CCC(O)CSc1ccc(nc1OC)N 62a_100010187630_100011218378 [0,1,0,0,0,0|2,1,0]=4 4257 B15R1.13065 CCC(O)CSc1ccc(nc1OC)N 62a_100011218378_100010187630 [0,1,0,0,0,0|2,1,0]=4 4258 B15R1.13065 CCC(O)CSc1cnc(cc1OC)C 62a_100000717771_100011218378 [0,1,0,0,0,0|2,1,0]=4 4259 B15R1.13065 CCC(O)CSc1cnc(cc1OC)C 62a_100011218378_100000717771 [0,1,0,0,0,0|2,1,0]=4 4260 B15R1.13065 CCC(O)CSc1cnc(cc1OC)Cl 62a_100010154656_100011218378 [0,1,0,0,0,0|2,1,0]=4 4261 B15R1.13065 CCC(O)CSc1cnc(cc1OC)Cl 62a_100011218378_100010154656 [0,1,0,0,0,0|2,1,0]=4 4262 B15R1.13065 CCC(O)CSc1cnc(cc1OC)F 62a_100010135560_100011218378 [0,1,0,0,0,0|2,1,0]=4 4263 B15R1.13065 CCC(O)CSc1cnc(cc1OC)F 62a_100011218378_100010135560 [0,1,0,0,0,0|2,1,0]=4 4264 B15R1.13065 CCC(O)CSc1cnc(cc1OC)N 62a_100011218378_100015506990 [0,1,0,0,0,0|2,1,0]=4 4265 B15R1.13065 CCC(O)CSc1cnc(cc1OC)N 62a_100015506990_100011218378 [0,1,0,0,0,0|2,1,0]=4 4266 B15R1.13065 CCC(O)CSc1ncc(cc1OC)C 62a_100011218378_200000118316 [0,1,0,0,0,0|2,1,0]=4 4267 B15R1.13065 CCC(O)CSc1ncc(cc1OC)F 62a_100010136273_100011218378 [0,1,0,0,0,0|2,1,0]=4 4268 B15R1.13065 CCC(O)CSc1ncc(cc1OC)F 62a_100011218378_100009867738 [0,1,0,0,0,0|2,1,0]=4 4269 B15R1.13065 CCC(O)CSc1ncc(cc1OC)N 62a_100011218378_100000097218 [0,1,0,0,0,0|2,1,0]=4 4270 B15R1.13065 CCC(O)CSc1ncc(cc1OC)N 62a_200010291755_100011218378 [0,1,0,0,0,0|2,1,0]=4 4271 B15R1.13065 CC[C@H](C)CNc1ccc(cc1OC)Br 34a_100011279103_100009816398 [0,1,0,0,0,0|3,0,0]=4 4272 B15R1.13065 CC[C@H](C)CNc1ccc(cc1OC)C 2230a_100000746441_100009816398 [0,1,0,0,0,0|3,0,0]=4 4273 B15R1.13065 CC[C@H](C)CNc1ccc(cc1OC)C 34a_100000746441_100009816398 [0,1,0,0,0,0|3,0,0]=4 4274 B15R1.13065 CC[C@H](C)CNc1ccc(cc1OC)Cl 34a_100000707585_100009816398 [0,1,0,0,0,0|3,0,0]=4 4275 B15R1.13065 CC[C@H](C)CNc1ccc(cc1OC)F 34a_100000737216_100009816398 [0,1,0,0,0,0|3,0,0]=4 4276 B15R1.13065 CC[C@H](C)CNc1ccc(cc1OC)I 34a_100015196925_100009816398 [0,1,0,0,0,0|3,0,0]=4 4277 B15R1.13065 CC[C@H](C)CNc1ccc(cc1OC)O 34a_100015326901_100009816398 [0,1,0,0,0,0|3,0,0]=4 4278 B15R1.13065 CC[C@H](C)COc1ccc(cc1OC)Br 34a_100000694246_100009816398 [0,1,0,0,0,0|2,0,0]=3 4279 B15R1.13065 CC[C@H](C)COc1ccc(cc1OC)Br 7a_100000694246_100009816398 [0,1,0,0,0,0|2,0,0]=3 4280 B15R1.13065 CC[C@H](C)COc1ccc(cc1OC)C 34a_100000186466_100009816398 [0,1,0,0,0,0|2,0,0]=3 4281 B15R1.13065 CC[C@H](C)COc1ccc(cc1OC)Cl 34a_100000033002_100009816398 [0,1,0,0,0,0|2,0,0]=3 4282 B15R1.13065 CC[C@H](C)COc1ccc(cc1OC)F 34a_100000036057_100009816398 [0,1,0,0,0,0|2,0,0]=3 4283 B15R1.13065 CC[C@H](C)COc1ccc(cc1OC)F 7a_100000036057_100009816398 [0,1,0,0,0,0|2,0,0]=3 4284 B15R1.13065 CC[C@H](C)COc1ccc(cc1OC)I 34a_100000049635_100009816398 [0,1,0,0,0,0|2,0,0]=3 4285 B15R1.13065 CC[C@H](C)COc1ccc(cc1OC)N 34a_100000726020_100009816398 [0,1,0,0,0,0|2,0,0]=3 4286 B15R1.13065 CC[C@H](C)COc1ccc(nc1OC)Br 34a_100010893133_100009816398 [0,1,0,0,0,0|3,0,0]=4 4287 B15R1.13065 CC[C@H](C)COc1ncc(cc1OC)Cl 34a_200009845368_100009816398 [0,1,0,0,0,0|3,0,0]=4 4288 B15R1.13065 CC[C@H](C)CSc1ccc(cc1OC)Br 62a_100009816398_100010245111 [0,1,0,0,0,0|2,1,0]=4 4289 B15R1.13065 CC[C@H](C)CSc1ccc(cc1OC)Br 62a_100010245111_100009816398 [0,1,0,0,0,0|2,1,0]=4 4290 B15R1.13065 CC[C@H](C)CSc1ccc(cc1OC)C 62a_100009816398_100010200004 [0,1,0,0,0,0|2,1,0]=4 4291 B15R1.13065 CC[C@H](C)CSc1ccc(cc1OC)C 62a_100010200004_100009816398 [0,1,0,0,0,0|2,1,0]=4 4292 B15R1.13065 CC[C@H](C)CSc1ccc(cc1OC)Cl 62a_100000050115_100009816398 [0,1,0,0,0,0|2,1,0]=4 4293 B15R1.13065 CC[C@H](C)CSc1ccc(cc1OC)Cl 62a_100009816398_100000050115 [0,1,0,0,0,0|2,1,0]=4 4294 B15R1.13065 CC[C@H](C)CSc1ccc(cc1OC)F 62a_100000757151_100009816398 [0,1,0,0,0,0|2,1,0]=4 4295 B15R1.13065 CC[C@H](C)CSc1ccc(cc1OC)F 62a_100009816398_100000757151 [0,1,0,0,0,0|2,1,0]=4 4296 B15R1.13065 CC[C@H](C)CSc1ccc(cc1OC)N 62a_100000765947_100009816398 [0,1,0,0,0,0|2,1,0]=4 4297 B15R1.13065 CC[C@H](C)CSc1ccc(cc1OC)N 62a_100009816398_100000765947 [0,1,0,0,0,0|2,1,0]=4 4298 B15R1.13065 CC[C@H](C)CSc1ccc(cc1OC)O 62a_100009816398_100011827694 [0,1,0,0,0,0|2,1,0]=4 4299 B15R1.13065 CCc1cc(ccc1NCC(O)CC)Br 2230a_100000686106_100011218378 [0,1,0,0,0,0|3,0,0]=4 4300 B15R1.13065 CCc1cc(ccc1NCC(O)CC)Br 34a_100000686106_100011218378 [0,1,0,0,0,0|3,0,0]=4 4301 B15R1.13065 CCc1cc(ccc1NCC(O)CC)Br 7a_100000686106_100011218378 [0,1,0,0,0,0|3,0,0]=4 4302 B15R1.13065 CCc1cc(ccc1NCC(O)CC)Cl 2230a_100012017146_100011218378 [0,1,0,0,0,0|3,0,0]=4 4303 B15R1.13065 CCc1cc(ccc1NCC(O)CC)Cl 34a_100012017146_100011218378 [0,1,0,0,0,0|3,0,0]=4 4304 B15R1.13065 CCc1cc(ccc1NCC(O)CC)Cl 7a_100012017146_100011218378 [0,1,0,0,0,0|3,0,0]=4 4305 B15R1.13065 CCc1cc(ccc1NCC(O)CC)I 2230a_100000014069_100011218378 [0,1,0,0,0,0|3,0,0]=4 4306 B15R1.13065 CCc1cc(ccc1NCC(O)CC)I 34a_100000014069_100011218378 [0,1,0,0,0,0|3,0,0]=4 4307 B15R1.13065 CCc1cc(ccc1NCC(O)CC)I 7a_100000014069_100011218378 [0,1,0,0,0,0|3,0,0]=4 4308 B15R1.13065 CCc1cc(ccc1NCC(O)CO)Br 2230a_100000686106_100011219619 [0,1,0,0,0,0|2,0,0]=3 4309 B15R1.13065 CCc1cc(ccc1NCC(O)CO)Br 34a_100000686106_100011219619 [0,1,0,0,0,0|2,0,0]=3 4310 B15R1.13065 CCc1cc(ccc1NCC(O)CO)Br 7a_100000686106_100011219619 [0,1,0,0,0,0|2,0,0]=3 4311 B15R1.13065 CCc1cc(ccc1NCC(O)CO)Cl 2230a_100012017146_100011219619 [0,1,0,0,0,0|2,0,0]=3 4312 B15R1.13065 CCc1cc(ccc1NCC(O)CO)Cl 34a_100012017146_100011219619 [0,1,0,0,0,0|2,0,0]=3 4313 B15R1.13065 CCc1cc(ccc1NCC(O)CO)Cl 7a_100012017146_100011219619 [0,1,0,0,0,0|2,0,0]=3 4314 B15R1.13065 CCc1cc(ccc1NCC(O)CO)I 2230a_100000014069_100011219619 [0,1,0,0,0,0|2,0,0]=3 4315 B15R1.13065 CCc1cc(ccc1NCC(O)CO)I 34a_100000014069_100011219619 [0,1,0,0,0,0|2,0,0]=3 4316 B15R1.13065 CCc1cc(ccc1NCC(O)CO)I 7a_100000014069_100011219619 [0,1,0,0,0,0|2,0,0]=3 4317 B15R1.13065 CCc1cc(ccc1NC[C@@H](C)CO)Br 2230a_100000686106_100000059175 [0,1,0,0,0,0|3,0,0]=4 4318 B15R1.13065 CCc1cc(ccc1NC[C@@H](C)CO)Br 34a_100000686106_100000059175 [0,1,0,0,0,0|3,0,0]=4 4319 B15R1.13065 CCc1cc(ccc1NC[C@@H](C)CO)Br 7a_100000686106_100000059175 [0,1,0,0,0,0|3,0,0]=4 4320 B15R1.13065 CCc1cc(ccc1NC[C@@H](C)CO)Cl 2230a_100012017146_100000059175 [0,1,0,0,0,0|3,0,0]=4 4321 B15R1.13065 CCc1cc(ccc1NC[C@@H](C)CO)Cl 34a_100012017146_100000059175 [0,1,0,0,0,0|3,0,0]=4 4322 B15R1.13065 CCc1cc(ccc1NC[C@@H](C)CO)Cl 7a_100012017146_100000059175 [0,1,0,0,0,0|3,0,0]=4 4323 B15R1.13065 CCc1cc(ccc1NC[C@@H](C)CO)I 2230a_100000014069_100000059175 [0,1,0,0,0,0|3,0,0]=4 4324 B15R1.13065 CCc1cc(ccc1NC[C@@H](C)CO)I 34a_100000014069_100000059175 [0,1,0,0,0,0|3,0,0]=4 4325 B15R1.13065 CCc1cc(ccc1NC[C@@H](C)CO)I 7a_100000014069_100000059175 [0,1,0,0,0,0|3,0,0]=4 4326 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CF)Br 2230a_100000686106_100015614560 [0,1,0,0,0,0|3,0,0]=4 4327 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CF)Br 34a_100000686106_100015614560 [0,1,0,0,0,0|3,0,0]=4 4328 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CF)Br 7a_100000686106_100015614560 [0,1,0,0,0,0|3,0,0]=4 4329 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CF)Cl 2230a_100012017146_100015614560 [0,1,0,0,0,0|3,0,0]=4 4330 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CF)Cl 34a_100012017146_100015614560 [0,1,0,0,0,0|3,0,0]=4 4331 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CF)Cl 7a_100012017146_100015614560 [0,1,0,0,0,0|3,0,0]=4 4332 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CF)I 2230a_100000014069_100015614560 [0,1,0,0,0,0|3,0,0]=4 4333 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CF)I 34a_100000014069_100015614560 [0,1,0,0,0,0|3,0,0]=4 4334 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CF)I 7a_100000014069_100015614560 [0,1,0,0,0,0|3,0,0]=4 4335 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)Br 2230a_100000686106_100009815848 [0,1,0,0,0,0|2,0,0]=3 4336 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)Br 34a_100000686106_100009815848 [0,1,0,0,0,0|2,0,0]=3 4337 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)Br 7a_100000686106_100009815848 [0,1,0,0,0,0|2,0,0]=3 4338 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)Cl 2230a_100012017146_100009815848 [0,1,0,0,0,0|2,0,0]=3 4339 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)Cl 34a_100012017146_100009815848 [0,1,0,0,0,0|2,0,0]=3 4340 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)Cl 7a_100012017146_100009815848 [0,1,0,0,0,0|2,0,0]=3 4341 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)I 2230a_100000014069_100009815848 [0,1,0,0,0,0|2,0,0]=3 4342 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)I 34a_100000014069_100009815848 [0,1,0,0,0,0|2,0,0]=3 4343 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)I 7a_100000014069_100009815848 [0,1,0,0,0,0|2,0,0]=3 4344 B15R1.13065 CCc1cc(ccc1OCC(C)CC)Br 34a_100012338938_100000748023 [0,1,0,0,0,0|3,0,0]=4 4345 B15R1.13065 CCc1cc(ccc1OCC(C)CC)Br 7a_100012338938_100000748023 [0,1,0,0,0,0|3,0,0]=4 4346 B15R1.13065 CCc1cc(ccc1OCC(C)CC)C 34a_100009844793_100000748023 [0,1,0,0,0,0|3,0,0]=4 4347 B15R1.13065 CCc1cc(ccc1OCC(C)CC)C 7a_100009844793_100000748023 [0,1,0,0,0,0|3,0,0]=4 4348 B15R1.13065 CCc1cc(ccc1OCC(C)CC)F 34a_200000035566_100000748023 [0,1,0,0,0,0|3,0,0]=4 4349 B15R1.13065 CCc1cc(ccc1OCC(C)CC)F 7a_200000035566_100000748023 [0,1,0,0,0,0|3,0,0]=4 4350 B15R1.13065 CCc1cc(ccc1OCC(O)CC)Br 34a_100012338938_100011218378 [0,1,0,0,0,0|2,0,0]=3 4351 B15R1.13065 CCc1cc(ccc1OCC(O)CC)Br 7a_100012338938_100011218378 [0,1,0,0,0,0|2,0,0]=3 4352 B15R1.13065 CCc1cc(ccc1OCC(O)CC)C 34a_100009844793_100011218378 [0,1,0,0,0,0|2,0,0]=3 4353 B15R1.13065 CCc1cc(ccc1OCC(O)CC)C 7a_100009844793_100011218378 [0,1,0,0,0,0|2,0,0]=3 4354 B15R1.13065 CCc1cc(ccc1OCC(O)CC)F 34a_200000035566_100011218378 [0,1,0,0,0,0|2,0,0]=3 4355 B15R1.13065 CCc1cc(ccc1OCC(O)CC)F 7a_200000035566_100011218378 [0,1,0,0,0,0|2,0,0]=3 4356 B15R1.13065 CCc1cc(ccc1OCC(O)CO)Br 34a_100012338938_100011219619 [0,1,0,0,0,0|1,0,0]=2 4357 B15R1.13065 CCc1cc(ccc1OCC(O)CO)Br 7a_100012338938_100011219619 [0,1,0,0,0,0|1,0,0]=2 4358 B15R1.13065 CCc1cc(ccc1OCC(O)CO)C 34a_100009844793_100011219619 [0,1,0,0,0,0|1,0,0]=2 4359 B15R1.13065 CCc1cc(ccc1OCC(O)CO)C 7a_100009844793_100011219619 [0,1,0,0,0,0|1,0,0]=2 4360 B15R1.13065 CCc1cc(ccc1OCC(O)CO)F 34a_200000035566_100011219619 [0,1,0,0,0,0|1,0,0]=2 4361 B15R1.13065 CCc1cc(ccc1OCC(O)CO)F 7a_200000035566_100011219619 [0,1,0,0,0,0|1,0,0]=2 4362 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CC)Br 34a_100012338938_100009816398 [0,1,0,0,0,0|3,0,0]=4 4363 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CC)Br 7a_100012338938_100009816398 [0,1,0,0,0,0|3,0,0]=4 4364 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CC)C 34a_100009844793_100009816398 [0,1,0,0,0,0|3,0,0]=4 4365 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CC)C 7a_100009844793_100009816398 [0,1,0,0,0,0|3,0,0]=4 4366 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CC)F 34a_200000035566_100009816398 [0,1,0,0,0,0|3,0,0]=4 4367 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CC)F 7a_200000035566_100009816398 [0,1,0,0,0,0|3,0,0]=4 4368 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CO)Br 34a_100012338938_100000059175 [0,1,0,0,0,0|2,0,0]=3 4369 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CO)Br 7a_100012338938_100000059175 [0,1,0,0,0,0|2,0,0]=3 4370 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CO)C 34a_100009844793_100000059175 [0,1,0,0,0,0|2,0,0]=3 4371 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CO)C 7a_100009844793_100000059175 [0,1,0,0,0,0|2,0,0]=3 4372 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CO)F 34a_200000035566_100000059175 [0,1,0,0,0,0|2,0,0]=3 4373 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CO)F 7a_200000035566_100000059175 [0,1,0,0,0,0|2,0,0]=3 4374 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CF)Br 34a_100012338938_100015614560 [0,1,0,0,0,0|2,0,0]=3 4375 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CF)Br 7a_100012338938_100015614560 [0,1,0,0,0,0|2,0,0]=3 4376 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CF)C 34a_100009844793_100015614560 [0,1,0,0,0,0|2,0,0]=3 4377 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CF)C 7a_100009844793_100015614560 [0,1,0,0,0,0|2,0,0]=3 4378 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CF)F 34a_200000035566_100015614560 [0,1,0,0,0,0|2,0,0]=3 4379 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CF)F 7a_200000035566_100015614560 [0,1,0,0,0,0|2,0,0]=3 4380 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CO)Br 34a_100012338938_100009815848 [0,1,0,0,0,0|1,0,0]=2 4381 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CO)Br 7a_100012338938_100009815848 [0,1,0,0,0,0|1,0,0]=2 4382 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CO)C 34a_100009844793_100009815848 [0,1,0,0,0,0|1,0,0]=2 4383 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CO)C 7a_100009844793_100009815848 [0,1,0,0,0,0|1,0,0]=2 4384 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CO)F 34a_200000035566_100009815848 [0,1,0,0,0,0|1,0,0]=2 4385 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CO)F 7a_200000035566_100009815848 [0,1,0,0,0,0|1,0,0]=2 4386 B15R1.13065 CCc1cc(ccc1SCC(O)CC)Br 62a_100011216195_100011218378 [0,1,0,0,0,0|2,1,0]=4 4387 B15R1.13065 CCc1cc(ccc1SCC(O)CC)Br 62a_100011218378_100011216195 [0,1,0,0,0,0|2,1,0]=4 4388 B15R1.13065 CCc1cc(ccc1SCC(O)CC)N 62a_100010109747_100011218378 [0,1,0,0,0,0|2,1,0]=4 4389 B15R1.13065 CCc1cc(ccc1SCC(O)CC)N 62a_100011218378_100010109747 [0,1,0,0,0,0|2,1,0]=4 4390 B15R1.13065 CCc1cc(ccc1SCC(O)CO)Br 62a_100011216195_100011219619 [0,1,0,0,0,0|1,1,0]=3 4391 B15R1.13065 CCc1cc(ccc1SCC(O)CO)Br 62a_100011219619_100011216195 [0,1,0,0,0,0|1,1,0]=3 4392 B15R1.13065 CCc1cc(ccc1SCC(O)CO)N 62a_100010109747_100011219619 [0,1,0,0,0,0|1,1,0]=3 4393 B15R1.13065 CCc1cc(ccc1SCC(O)CO)N 62a_100011219619_100010109747 [0,1,0,0,0,0|1,1,0]=3 4394 B15R1.13065 CCc1cc(ccc1SC[C@@H](C)CO)Br 62a_100000059175_100011216195 [0,1,0,0,0,0|2,1,0]=4 4395 B15R1.13065 CCc1cc(ccc1SC[C@@H](C)CO)Br 62a_100011216195_100000059175 [0,1,0,0,0,0|2,1,0]=4 4396 B15R1.13065 CCc1cc(ccc1SC[C@@H](C)CO)N 62a_100000059175_100010109747 [0,1,0,0,0,0|2,1,0]=4 4397 B15R1.13065 CCc1cc(ccc1SC[C@@H](C)CO)N 62a_100010109747_100000059175 [0,1,0,0,0,0|2,1,0]=4 4398 B15R1.13065 CCc1cc(ccc1SC[C@@H](O)CF)Br 62a_100011216195_100015614560 [0,1,0,0,0,0|2,1,0]=4 4399 B15R1.13065 CCc1cc(ccc1SC[C@@H](O)CF)Br 62a_100015614560_100011216195 [0,1,0,0,0,0|2,1,0]=4 4400 B15R1.13065 CCc1cc(ccc1SC[C@@H](O)CF)N 62a_100010109747_100015614560 [0,1,0,0,0,0|2,1,0]=4 4401 B15R1.13065 CCc1cc(ccc1SC[C@@H](O)CF)N 62a_100015614560_100010109747 [0,1,0,0,0,0|2,1,0]=4 4402 B15R1.13065 CCc1cc(ccc1SC[C@@H](O)CO)Br 62a_100009815848_100011216195 [0,1,0,0,0,0|1,1,0]=3 4403 B15R1.13065 CCc1cc(ccc1SC[C@@H](O)CO)Br 62a_100011216195_100009815848 [0,1,0,0,0,0|1,1,0]=3 4404 B15R1.13065 CCc1cc(ccc1SC[C@@H](O)CO)N 62a_100009815848_100010109747 [0,1,0,0,0,0|1,1,0]=3 4405 B15R1.13065 CCc1cc(ccc1SC[C@@H](O)CO)N 62a_100010109747_100009815848 [0,1,0,0,0,0|1,1,0]=3 4406 B15R1.13065 CCc1nc(ccc1OCC(O)CC)C 34a_100000718140_100011218378 [0,1,0,0,0,0|3,0,0]=4 4407 B15R1.13065 CCc1nc(ccc1OCC(O)CC)C 7a_100000718140_100011218378 [0,1,0,0,0,0|3,0,0]=4 4408 B15R1.13065 CCc1nc(ccc1OCC(O)CO)C 34a_100000718140_100011219619 [0,1,0,0,0,0|2,0,0]=3 4409 B15R1.13065 CCc1nc(ccc1OCC(O)CO)C 7a_100000718140_100011219619 [0,1,0,0,0,0|2,0,0]=3 4410 B15R1.13065 CCc1nc(ccc1OC[C@@H](C)CO)C 34a_100000718140_100000059175 [0,1,0,0,0,0|3,0,0]=4 4411 B15R1.13065 CCc1nc(ccc1OC[C@@H](C)CO)C 7a_100000718140_100000059175 [0,1,0,0,0,0|3,0,0]=4 4412 B15R1.13065 CCc1nc(ccc1OC[C@@H](O)CF)C 34a_100000718140_100015614560 [0,1,0,0,0,0|3,0,0]=4 4413 B15R1.13065 CCc1nc(ccc1OC[C@@H](O)CF)C 7a_100000718140_100015614560 [0,1,0,0,0,0|3,0,0]=4 4414 B15R1.13065 CCc1nc(ccc1OC[C@@H](O)CO)C 34a_100000718140_100009815848 [0,1,0,0,0,0|2,0,0]=3 4415 B15R1.13065 CCc1nc(ccc1OC[C@@H](O)CO)C 7a_100000718140_100009815848 [0,1,0,0,0,0|2,0,0]=3 4416 B15R1.13065 CNc1cc(ccc1SCC(O)CO)F 62a_100011219619_100020633008 [0,1,0,0,0,0|1,1,0]=3 4417 B15R1.13065 CNc1cc(ccc1SCC(O)CO)F 62a_100020633008_100011219619 [0,1,0,0,0,0|1,1,0]=3 4418 B15R1.13065 CNc1cc(ccc1SC[C@@H](C)CO)F 62a_100000059175_100020633008 [0,1,0,0,0,0|2,1,0]=4 4419 B15R1.13065 CNc1cc(ccc1SC[C@@H](C)CO)F 62a_100020633008_100000059175 [0,1,0,0,0,0|2,1,0]=4 4420 B15R1.13065 CNc1cc(ccc1SC[C@@H](O)CF)F 62a_100015614560_100020633008 [0,1,0,0,0,0|2,1,0]=4 4421 B15R1.13065 CNc1cc(ccc1SC[C@@H](O)CF)F 62a_100020633008_100015614560 [0,1,0,0,0,0|2,1,0]=4 4422 B15R1.13065 CNc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100020633008 [0,1,0,0,0,0|1,1,0]=3 4423 B15R1.13065 CNc1cc(ccc1SC[C@@H](O)CO)F 62a_100020633008_100009815848 [0,1,0,0,0,0|1,1,0]=3 4424 B15R1.13065 COc1cc(ccc1CNC(C)CO)F 34a_100000062129_100012180447 [0,1,0,0,0,0|3,0,0]=4 4425 B15R1.13065 COc1cc(ccc1CN[C@H](C)CO)Br 207a_100000737577_100000697075 [0,1,0,0,0,0|3,0,0]=4 4426 B15R1.13065 COc1cc(ccc1CN[C@H](C)CO)Br 2230a_100000737577_100012359436 [0,1,0,0,0,0|3,0,0]=4 4427 B15R1.13065 COc1cc(ccc1CN[C@H](C)CO)Br 270004a_100000737577_100000697075 [0,1,0,0,0,0|3,0,0]=4 4428 B15R1.13065 COc1cc(ccc1CN[C@H](C)CO)C 207a_100000737577_100000689369 [0,1,0,0,0,0|3,0,0]=4 4429 B15R1.13065 COc1cc(ccc1CN[C@H](C)CO)C 270004a_100000737577_100000689369 [0,1,0,0,0,0|3,0,0]=4 4430 B15R1.13065 COc1cc(ccc1CN[C@H](C)CO)Cl 207a_100000737577_100000235374 [0,1,0,0,0,0|3,0,0]=4 4431 B15R1.13065 COc1cc(ccc1CN[C@H](C)CO)Cl 270004a_100000737577_100000235374 [0,1,0,0,0,0|3,0,0]=4 4432 B15R1.13065 COc1cc(ccc1CN[C@H](C)CO)F 207a_100000737577_100000042785 [0,1,0,0,0,0|3,0,0]=4 4433 B15R1.13065 COc1cc(ccc1CN[C@H](C)CO)F 2230a_100000737577_200010171551 [0,1,0,0,0,0|3,0,0]=4 4434 B15R1.13065 COc1cc(ccc1CN[C@H](C)CO)F 270004a_100000737577_100000042785 [0,1,0,0,0,0|3,0,0]=4 4435 B15R1.13065 COc1cc(ccc1CN[C@H](C)CO)I 207a_100000737577_100010290300 [0,1,0,0,0,0|3,0,0]=4 4436 B15R1.13065 COc1cc(ccc1COC(C)CO)Br 34a_100011277633_100012180447 [0,1,0,0,0,0|3,0,0]=4 4437 B15R1.13065 COc1cc(ccc1COC(C)CO)Br 7a_100011277633_100012180447 [0,1,0,0,0,0|3,0,0]=4 4438 B15R1.13065 COc1cc(ccc1COC(C)CO)C 34a_200012017176_100012180447 [0,1,0,0,0,0|3,0,0]=4 4439 B15R1.13065 COc1cc(ccc1COC(C)CO)C 7a_200012017176_100012180447 [0,1,0,0,0,0|3,0,0]=4 4440 B15R1.13065 COc1cc(ccc1COC(C)CO)Cl 34a_200011215853_100012180447 [0,1,0,0,0,0|3,0,0]=4 4441 B15R1.13065 COc1cc(ccc1COC(C)CO)Cl 7a_200011215853_100012180447 [0,1,0,0,0,0|3,0,0]=4 4442 B15R1.13065 COc1cc(ccc1COC(C)CO)F 34a_100000117171_100012180447 [0,1,0,0,0,0|3,0,0]=4 4443 B15R1.13065 COc1cc(ccc1COC(C)CO)F 7a_100000117171_100012180447 [0,1,0,0,0,0|3,0,0]=4 4444 B15R1.13065 COc1cc(ccc1COC(C)CO)I 34a_100010233823_100012180447 [0,1,0,0,0,0|3,0,0]=4 4445 B15R1.13065 COc1cc(ccc1COC(C)CO)I 7a_100010233823_100012180447 [0,1,0,0,0,0|3,0,0]=4 4446 B15R1.13065 COc1cc(ccc1COC(C)CO)N 34a_100012183141_100012180447 [0,1,0,0,0,0|3,0,0]=4 4447 B15R1.13065 COc1cc(ccc1CSC(C)CO)Br 62a_100012180447_100012359436 [0,1,0,0,0,0|3,0,0]=4 4448 B15R1.13065 COc1cc(ccc1CSC(C)CO)F 62a_100012180447_200010171551 [0,1,0,0,0,0|3,0,0]=4 4449 B15R1.13065 COc1cc(ccc1CS[C@H](C)CO)Br 62a_100012359436_100016084084 [0,1,0,0,0,0|3,0,0]=4 4450 B15R1.13065 COc1cc(ccc1CS[C@H](C)CO)Br 62a_100016084084_100012359436 [0,1,0,0,0,0|3,0,0]=4 4451 B15R1.13065 COc1cc(ccc1CS[C@H](C)CO)F 62a_100016084084_200010171551 [0,1,0,0,0,0|3,0,0]=4 4452 B15R1.13065 COc1cc(ccc1CS[C@H](C)CO)F 62a_200010171551_100016084084 [0,1,0,0,0,0|3,0,0]=4 4453 B15R1.13065 COc1cc(ccc1NCC(O)CO)Br 34a_100011279103_100011219619 [0,1,0,0,0,0|1,0,0]=2 4454 B15R1.13065 COc1cc(ccc1NCC(O)CO)C 2230a_100000746441_100011219619 [0,1,0,0,0,0|1,0,0]=2 4455 B15R1.13065 COc1cc(ccc1NCC(O)CO)C 34a_100000746441_100011219619 [0,1,0,0,0,0|1,0,0]=2 4456 B15R1.13065 COc1cc(ccc1NCC(O)CO)Cl 34a_100000707585_100011219619 [0,1,0,0,0,0|1,0,0]=2 4457 B15R1.13065 COc1cc(ccc1NCC(O)CO)F 34a_100000737216_100011219619 [0,1,0,0,0,0|1,0,0]=2 4458 B15R1.13065 COc1cc(ccc1NCC(O)CO)I 34a_100015196925_100011219619 [0,1,0,0,0,0|1,0,0]=2 4459 B15R1.13065 COc1cc(ccc1NCC(O)CO)O 34a_100015326901_100011219619 [0,1,0,0,0,0|1,0,0]=2 4460 B15R1.13065 COc1cc(ccc1NC[C@@H](C)CO)Br 34a_100011279103_100000059175 [0,1,0,0,0,0|2,0,0]=3 4461 B15R1.13065 COc1cc(ccc1NC[C@@H](C)CO)C 2230a_100000746441_100000059175 [0,1,0,0,0,0|2,0,0]=3 4462 B15R1.13065 COc1cc(ccc1NC[C@@H](C)CO)C 34a_100000746441_100000059175 [0,1,0,0,0,0|2,0,0]=3 4463 B15R1.13065 COc1cc(ccc1NC[C@@H](C)CO)Cl 34a_100000707585_100000059175 [0,1,0,0,0,0|2,0,0]=3 4464 B15R1.13065 COc1cc(ccc1NC[C@@H](C)CO)F 34a_100000737216_100000059175 [0,1,0,0,0,0|2,0,0]=3 4465 B15R1.13065 COc1cc(ccc1NC[C@@H](C)CO)I 34a_100015196925_100000059175 [0,1,0,0,0,0|2,0,0]=3 4466 B15R1.13065 COc1cc(ccc1NC[C@@H](C)CO)O 34a_100015326901_100000059175 [0,1,0,0,0,0|2,0,0]=3 4467 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CF)Br 34a_100011279103_100015614560 [0,1,0,0,0,0|2,0,0]=3 4468 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CF)C 2230a_100000746441_100015614560 [0,1,0,0,0,0|2,0,0]=3 4469 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CF)C 34a_100000746441_100015614560 [0,1,0,0,0,0|2,0,0]=3 4470 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CF)Cl 34a_100000707585_100015614560 [0,1,0,0,0,0|2,0,0]=3 4471 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CF)F 34a_100000737216_100015614560 [0,1,0,0,0,0|2,0,0]=3 4472 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CF)I 34a_100015196925_100015614560 [0,1,0,0,0,0|2,0,0]=3 4473 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CF)O 34a_100015326901_100015614560 [0,1,0,0,0,0|2,0,0]=3 4474 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CO)Br 34a_100011279103_100009815848 [0,1,0,0,0,0|1,0,0]=2 4475 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CO)C 2230a_100000746441_100009815848 [0,1,0,0,0,0|1,0,0]=2 4476 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CO)C 34a_100000746441_100009815848 [0,1,0,0,0,0|1,0,0]=2 4477 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CO)Cl 34a_100000707585_100009815848 [0,1,0,0,0,0|1,0,0]=2 4478 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CO)F 34a_100000737216_100009815848 [0,1,0,0,0,0|1,0,0]=2 4479 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CO)I 34a_100015196925_100009815848 [0,1,0,0,0,0|1,0,0]=2 4480 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CO)O 34a_100015326901_100009815848 [0,1,0,0,0,0|1,0,0]=2 4481 B15R1.13065 COc1cc(ccc1OCC(=O)CF)C 1458a_100000183895_100015361967 [0,1,0,0,0,0|1,0,2]=4 4482 B15R1.13065 COc1cc(ccc1OCC(O)CO)Br 34a_100000694246_100011219619 [0,1,0,0,0,0|0,0,0]=1 4483 B15R1.13065 COc1cc(ccc1OCC(O)CO)Br 7a_100000694246_100011219619 [0,1,0,0,0,0|0,0,0]=1 4484 B15R1.13065 COc1cc(ccc1OCC(O)CO)C 34a_100000186466_100011219619 [0,1,0,0,0,0|0,0,0]=1 4485 B15R1.13065 COc1cc(ccc1OCC(O)CO)Cl 34a_100000033002_100011219619 [0,1,0,0,0,0|0,0,0]=1 4486 B15R1.13065 COc1cc(ccc1OCC(O)CO)F 34a_100000036057_100011219619 [0,1,0,0,0,0|0,0,0]=1 4487 B15R1.13065 COc1cc(ccc1OCC(O)CO)F 7a_100000036057_100011219619 [0,1,0,0,0,0|0,0,0]=1 4488 B15R1.13065 COc1cc(ccc1OCC(O)CO)I 34a_100000049635_100011219619 [0,1,0,0,0,0|0,0,0]=1 4489 B15R1.13065 COc1cc(ccc1OCC(O)CO)N 34a_100000726020_100011219619 [0,1,0,0,0,0|0,0,0]=1 4490 B15R1.13065 COc1cc(ccc1OC[C@@H](C)CO)Br 34a_100000694246_100000059175 [0,1,0,0,0,0|1,0,0]=2 4491 B15R1.13065 COc1cc(ccc1OC[C@@H](C)CO)Br 7a_100000694246_100000059175 [0,1,0,0,0,0|1,0,0]=2 4492 B15R1.13065 COc1cc(ccc1OC[C@@H](C)CO)C 34a_100000186466_100000059175 [0,1,0,0,0,0|1,0,0]=2 4493 B15R1.13065 COc1cc(ccc1OC[C@@H](C)CO)Cl 34a_100000033002_100000059175 [0,1,0,0,0,0|1,0,0]=2 4494 B15R1.13065 COc1cc(ccc1OC[C@@H](C)CO)F 34a_100000036057_100000059175 [0,1,0,0,0,0|1,0,0]=2 4495 B15R1.13065 COc1cc(ccc1OC[C@@H](C)CO)F 7a_100000036057_100000059175 [0,1,0,0,0,0|1,0,0]=2 4496 B15R1.13065 COc1cc(ccc1OC[C@@H](C)CO)I 34a_100000049635_100000059175 [0,1,0,0,0,0|1,0,0]=2 4497 B15R1.13065 COc1cc(ccc1OC[C@@H](C)CO)N 34a_100000726020_100000059175 [0,1,0,0,0,0|1,0,0]=2 4498 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CF)Br 34a_100000694246_100015614560 [0,1,0,0,0,0|1,0,0]=2 4499 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CF)Br 7a_100000694246_100015614560 [0,1,0,0,0,0|1,0,0]=2 4500 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CF)C 34a_100000186466_100015614560 [0,1,0,0,0,0|1,0,0]=2 4501 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CF)Cl 34a_100000033002_100015614560 [0,1,0,0,0,0|1,0,0]=2 4502 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CF)F 34a_100000036057_100015614560 [0,1,0,0,0,0|1,0,0]=2 4503 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CF)F 7a_100000036057_100015614560 [0,1,0,0,0,0|1,0,0]=2 4504 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CF)I 34a_100000049635_100015614560 [0,1,0,0,0,0|1,0,0]=2 4505 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CF)N 34a_100000726020_100015614560 [0,1,0,0,0,0|1,0,0]=2 4506 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CO)Br 34a_100000694246_100009815848 [0,1,0,0,0,0|0,0,0]=1 4507 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CO)Br 7a_100000694246_100009815848 [0,1,0,0,0,0|0,0,0]=1 4508 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CO)C 34a_100000186466_100009815848 [0,1,0,0,0,0|0,0,0]=1 4509 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CO)Cl 34a_100000033002_100009815848 [0,1,0,0,0,0|0,0,0]=1 4510 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CO)F 34a_100000036057_100009815848 [0,1,0,0,0,0|0,0,0]=1 4511 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CO)F 7a_100000036057_100009815848 [0,1,0,0,0,0|0,0,0]=1 4512 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CO)I 34a_100000049635_100009815848 [0,1,0,0,0,0|0,0,0]=1 4513 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CO)N 34a_100000726020_100009815848 [0,1,0,0,0,0|0,0,0]=1 4514 B15R1.13065 COc1cc(ccc1SCC(O)CO)Br 62a_100010245111_100011219619 [0,1,0,0,0,0|0,1,0]=2 4515 B15R1.13065 COc1cc(ccc1SCC(O)CO)Br 62a_100011219619_100010245111 [0,1,0,0,0,0|0,1,0]=2 4516 B15R1.13065 COc1cc(ccc1SCC(O)CO)C 62a_100010200004_100011219619 [0,1,0,0,0,0|0,1,0]=2 4517 B15R1.13065 COc1cc(ccc1SCC(O)CO)C 62a_100011219619_100010200004 [0,1,0,0,0,0|0,1,0]=2 4518 B15R1.13065 COc1cc(ccc1SCC(O)CO)Cl 62a_100000050115_100011219619 [0,1,0,0,0,0|0,1,0]=2 4519 B15R1.13065 COc1cc(ccc1SCC(O)CO)Cl 62a_100011219619_100000050115 [0,1,0,0,0,0|0,1,0]=2 4520 B15R1.13065 COc1cc(ccc1SCC(O)CO)F 62a_100000757151_100011219619 [0,1,0,0,0,0|0,1,0]=2 4521 B15R1.13065 COc1cc(ccc1SCC(O)CO)F 62a_100011219619_100000757151 [0,1,0,0,0,0|0,1,0]=2 4522 B15R1.13065 COc1cc(ccc1SCC(O)CO)N 62a_100000765947_100011219619 [0,1,0,0,0,0|0,1,0]=2 4523 B15R1.13065 COc1cc(ccc1SCC(O)CO)N 62a_100011219619_100000765947 [0,1,0,0,0,0|0,1,0]=2 4524 B15R1.13065 COc1cc(ccc1SCC(O)CO)O 62a_100011219619_100011827694 [0,1,0,0,0,0|0,1,0]=2 4525 B15R1.13065 COc1cc(ccc1SC[C@@H](C)CO)Br 62a_100000059175_100010245111 [0,1,0,0,0,0|1,1,0]=3 4526 B15R1.13065 COc1cc(ccc1SC[C@@H](C)CO)Br 62a_100010245111_100000059175 [0,1,0,0,0,0|1,1,0]=3 4527 B15R1.13065 COc1cc(ccc1SC[C@@H](C)CO)C 62a_100000059175_100010200004 [0,1,0,0,0,0|1,1,0]=3 4528 B15R1.13065 COc1cc(ccc1SC[C@@H](C)CO)C 62a_100010200004_100000059175 [0,1,0,0,0,0|1,1,0]=3 4529 B15R1.13065 COc1cc(ccc1SC[C@@H](C)CO)Cl 62a_100000050115_100000059175 [0,1,0,0,0,0|1,1,0]=3 4530 B15R1.13065 COc1cc(ccc1SC[C@@H](C)CO)Cl 62a_100000059175_100000050115 [0,1,0,0,0,0|1,1,0]=3 4531 B15R1.13065 COc1cc(ccc1SC[C@@H](C)CO)F 62a_100000059175_100000757151 [0,1,0,0,0,0|1,1,0]=3 4532 B15R1.13065 COc1cc(ccc1SC[C@@H](C)CO)F 62a_100000757151_100000059175 [0,1,0,0,0,0|1,1,0]=3 4533 B15R1.13065 COc1cc(ccc1SC[C@@H](C)CO)N 62a_100000059175_100000765947 [0,1,0,0,0,0|1,1,0]=3 4534 B15R1.13065 COc1cc(ccc1SC[C@@H](C)CO)N 62a_100000765947_100000059175 [0,1,0,0,0,0|1,1,0]=3 4535 B15R1.13065 COc1cc(ccc1SC[C@@H](C)CO)O 62a_100000059175_100011827694 [0,1,0,0,0,0|1,1,0]=3 4536 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CF)Br 62a_100010245111_100015614560 [0,1,0,0,0,0|1,1,0]=3 4537 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CF)Br 62a_100015614560_100010245111 [0,1,0,0,0,0|1,1,0]=3 4538 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CF)C 62a_100010200004_100015614560 [0,1,0,0,0,0|1,1,0]=3 4539 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CF)C 62a_100015614560_100010200004 [0,1,0,0,0,0|1,1,0]=3 4540 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CF)Cl 62a_100000050115_100015614560 [0,1,0,0,0,0|1,1,0]=3 4541 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CF)Cl 62a_100015614560_100000050115 [0,1,0,0,0,0|1,1,0]=3 4542 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CF)F 62a_100000757151_100015614560 [0,1,0,0,0,0|1,1,0]=3 4543 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CF)F 62a_100015614560_100000757151 [0,1,0,0,0,0|1,1,0]=3 4544 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CF)N 62a_100000765947_100015614560 [0,1,0,0,0,0|1,1,0]=3 4545 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CF)N 62a_100015614560_100000765947 [0,1,0,0,0,0|1,1,0]=3 4546 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CF)O 62a_100015614560_100011827694 [0,1,0,0,0,0|1,1,0]=3 4547 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)Br 62a_100009815848_100010245111 [0,1,0,0,0,0|0,1,0]=2 4548 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)Br 62a_100010245111_100009815848 [0,1,0,0,0,0|0,1,0]=2 4549 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)C 62a_100009815848_100010200004 [0,1,0,0,0,0|0,1,0]=2 4550 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)C 62a_100010200004_100009815848 [0,1,0,0,0,0|0,1,0]=2 4551 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100000050115_100009815848 [0,1,0,0,0,0|0,1,0]=2 4552 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100009815848_100000050115 [0,1,0,0,0,0|0,1,0]=2 4553 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)F 62a_100000757151_100009815848 [0,1,0,0,0,0|0,1,0]=2 4554 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100000757151 [0,1,0,0,0,0|0,1,0]=2 4555 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)N 62a_100000765947_100009815848 [0,1,0,0,0,0|0,1,0]=2 4556 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)N 62a_100009815848_100000765947 [0,1,0,0,0,0|0,1,0]=2 4557 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)O 62a_100009815848_100011827694 [0,1,0,0,0,0|0,1,0]=2 4558 B15R1.13065 COc1cc(cnc1OCC(O)CO)Cl 34a_200009845368_100011219619 [0,1,0,0,0,0|1,0,0]=2 4559 B15R1.13065 COc1cc(cnc1OC[C@@H](C)CO)Cl 34a_200009845368_100000059175 [0,1,0,0,0,0|2,0,0]=3 4560 B15R1.13065 COc1cc(cnc1OC[C@@H](O)CF)Cl 34a_200009845368_100015614560 [0,1,0,0,0,0|2,0,0]=3 4561 B15R1.13065 COc1cc(cnc1OC[C@@H](O)CO)Cl 34a_200009845368_100009815848 [0,1,0,0,0,0|1,0,0]=2 4562 B15R1.13065 COc1cc(cnc1SCC(O)CO)C 62a_100011219619_200000118316 [0,1,0,0,0,0|1,1,0]=3 4563 B15R1.13065 COc1cc(cnc1SCC(O)CO)F 62a_100010136273_100011219619 [0,1,0,0,0,0|1,1,0]=3 4564 B15R1.13065 COc1cc(cnc1SCC(O)CO)F 62a_100011219619_100009867738 [0,1,0,0,0,0|1,1,0]=3 4565 B15R1.13065 COc1cc(cnc1SCC(O)CO)N 62a_100011219619_100000097218 [0,1,0,0,0,0|1,1,0]=3 4566 B15R1.13065 COc1cc(cnc1SCC(O)CO)N 62a_200010291755_100011219619 [0,1,0,0,0,0|1,1,0]=3 4567 B15R1.13065 COc1cc(cnc1SC[C@@H](C)CO)C 62a_100000059175_200000118316 [0,1,0,0,0,0|2,1,0]=4 4568 B15R1.13065 COc1cc(cnc1SC[C@@H](C)CO)F 62a_100000059175_100009867738 [0,1,0,0,0,0|2,1,0]=4 4569 B15R1.13065 COc1cc(cnc1SC[C@@H](C)CO)F 62a_100010136273_100000059175 [0,1,0,0,0,0|2,1,0]=4 4570 B15R1.13065 COc1cc(cnc1SC[C@@H](C)CO)N 62a_100000059175_100000097218 [0,1,0,0,0,0|2,1,0]=4 4571 B15R1.13065 COc1cc(cnc1SC[C@@H](C)CO)N 62a_200010291755_100000059175 [0,1,0,0,0,0|2,1,0]=4 4572 B15R1.13065 COc1cc(cnc1SC[C@@H](O)CF)C 62a_100015614560_200000118316 [0,1,0,0,0,0|2,1,0]=4 4573 B15R1.13065 COc1cc(cnc1SC[C@@H](O)CF)F 62a_100010136273_100015614560 [0,1,0,0,0,0|2,1,0]=4 4574 B15R1.13065 COc1cc(cnc1SC[C@@H](O)CF)F 62a_100015614560_100009867738 [0,1,0,0,0,0|2,1,0]=4 4575 B15R1.13065 COc1cc(cnc1SC[C@@H](O)CF)N 62a_100015614560_100000097218 [0,1,0,0,0,0|2,1,0]=4 4576 B15R1.13065 COc1cc(cnc1SC[C@@H](O)CF)N 62a_200010291755_100015614560 [0,1,0,0,0,0|2,1,0]=4 4577 B15R1.13065 COc1cc(cnc1SC[C@@H](O)CO)C 62a_100009815848_200000118316 [0,1,0,0,0,0|1,1,0]=3 4578 B15R1.13065 COc1cc(cnc1SC[C@@H](O)CO)F 62a_100009815848_100009867738 [0,1,0,0,0,0|1,1,0]=3 4579 B15R1.13065 COc1cc(cnc1SC[C@@H](O)CO)F 62a_100010136273_100009815848 [0,1,0,0,0,0|1,1,0]=3 4580 B15R1.13065 COc1cc(cnc1SC[C@@H](O)CO)N 62a_100009815848_100000097218 [0,1,0,0,0,0|1,1,0]=3 4581 B15R1.13065 COc1cc(cnc1SC[C@@H](O)CO)N 62a_200010291755_100009815848 [0,1,0,0,0,0|1,1,0]=3 4582 B15R1.13065 COc1cc(ncc1SCC(O)CO)C 62a_100000717771_100011219619 [0,1,0,0,0,0|1,1,0]=3 4583 B15R1.13065 COc1cc(ncc1SCC(O)CO)C 62a_100011219619_100000717771 [0,1,0,0,0,0|1,1,0]=3 4584 B15R1.13065 COc1cc(ncc1SCC(O)CO)Cl 62a_100010154656_100011219619 [0,1,0,0,0,0|1,1,0]=3 4585 B15R1.13065 COc1cc(ncc1SCC(O)CO)Cl 62a_100011219619_100010154656 [0,1,0,0,0,0|1,1,0]=3 4586 B15R1.13065 COc1cc(ncc1SCC(O)CO)F 62a_100010135560_100011219619 [0,1,0,0,0,0|1,1,0]=3 4587 B15R1.13065 COc1cc(ncc1SCC(O)CO)F 62a_100011219619_100010135560 [0,1,0,0,0,0|1,1,0]=3 4588 B15R1.13065 COc1cc(ncc1SCC(O)CO)N 62a_100011219619_100015506990 [0,1,0,0,0,0|1,1,0]=3 4589 B15R1.13065 COc1cc(ncc1SCC(O)CO)N 62a_100015506990_100011219619 [0,1,0,0,0,0|1,1,0]=3 4590 B15R1.13065 COc1cc(ncc1SC[C@@H](C)CO)C 62a_100000059175_100000717771 [0,1,0,0,0,0|2,1,0]=4 4591 B15R1.13065 COc1cc(ncc1SC[C@@H](C)CO)C 62a_100000717771_100000059175 [0,1,0,0,0,0|2,1,0]=4 4592 B15R1.13065 COc1cc(ncc1SC[C@@H](C)CO)Cl 62a_100000059175_100010154656 [0,1,0,0,0,0|2,1,0]=4 4593 B15R1.13065 COc1cc(ncc1SC[C@@H](C)CO)Cl 62a_100010154656_100000059175 [0,1,0,0,0,0|2,1,0]=4 4594 B15R1.13065 COc1cc(ncc1SC[C@@H](C)CO)F 62a_100000059175_100010135560 [0,1,0,0,0,0|2,1,0]=4 4595 B15R1.13065 COc1cc(ncc1SC[C@@H](C)CO)F 62a_100010135560_100000059175 [0,1,0,0,0,0|2,1,0]=4 4596 B15R1.13065 COc1cc(ncc1SC[C@@H](C)CO)N 62a_100000059175_100015506990 [0,1,0,0,0,0|2,1,0]=4 4597 B15R1.13065 COc1cc(ncc1SC[C@@H](C)CO)N 62a_100015506990_100000059175 [0,1,0,0,0,0|2,1,0]=4 4598 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CF)C 62a_100000717771_100015614560 [0,1,0,0,0,0|2,1,0]=4 4599 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CF)C 62a_100015614560_100000717771 [0,1,0,0,0,0|2,1,0]=4 4600 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CF)Cl 62a_100010154656_100015614560 [0,1,0,0,0,0|2,1,0]=4 4601 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CF)Cl 62a_100015614560_100010154656 [0,1,0,0,0,0|2,1,0]=4 4602 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CF)F 62a_100010135560_100015614560 [0,1,0,0,0,0|2,1,0]=4 4603 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CF)F 62a_100015614560_100010135560 [0,1,0,0,0,0|2,1,0]=4 4604 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CF)N 62a_100015506990_100015614560 [0,1,0,0,0,0|2,1,0]=4 4605 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CF)N 62a_100015614560_100015506990 [0,1,0,0,0,0|2,1,0]=4 4606 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CO)C 62a_100000717771_100009815848 [0,1,0,0,0,0|1,1,0]=3 4607 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CO)C 62a_100009815848_100000717771 [0,1,0,0,0,0|1,1,0]=3 4608 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CO)Cl 62a_100009815848_100010154656 [0,1,0,0,0,0|1,1,0]=3 4609 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CO)Cl 62a_100010154656_100009815848 [0,1,0,0,0,0|1,1,0]=3 4610 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CO)F 62a_100009815848_100010135560 [0,1,0,0,0,0|1,1,0]=3 4611 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CO)F 62a_100010135560_100009815848 [0,1,0,0,0,0|1,1,0]=3 4612 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CO)N 62a_100009815848_100015506990 [0,1,0,0,0,0|1,1,0]=3 4613 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CO)N 62a_100015506990_100009815848 [0,1,0,0,0,0|1,1,0]=3 4614 B15R1.13065 COc1nc(ccc1OCC(O)CO)Br 34a_100010893133_100011219619 [0,1,0,0,0,0|1,0,0]=2 4615 B15R1.13065 COc1nc(ccc1OC[C@@H](C)CO)Br 34a_100010893133_100000059175 [0,1,0,0,0,0|2,0,0]=3 4616 B15R1.13065 COc1nc(ccc1OC[C@@H](O)CF)Br 34a_100010893133_100015614560 [0,1,0,0,0,0|2,0,0]=3 4617 B15R1.13065 COc1nc(ccc1OC[C@@H](O)CO)Br 34a_100010893133_100009815848 [0,1,0,0,0,0|1,0,0]=2 4618 B15R1.13065 COc1nc(ccc1SCC(O)CO)C 62a_100010138632_100011219619 [0,1,0,0,0,0|1,1,0]=3 4619 B15R1.13065 COc1nc(ccc1SCC(O)CO)C 62a_100011219619_100010138632 [0,1,0,0,0,0|1,1,0]=3 4620 B15R1.13065 COc1nc(ccc1SCC(O)CO)N 62a_100010187630_100011219619 [0,1,0,0,0,0|1,1,0]=3 4621 B15R1.13065 COc1nc(ccc1SCC(O)CO)N 62a_100011219619_100010187630 [0,1,0,0,0,0|1,1,0]=3 4622 B15R1.13065 COc1nc(ccc1SC[C@@H](C)CO)C 62a_100000059175_100010138632 [0,1,0,0,0,0|2,1,0]=4 4623 B15R1.13065 COc1nc(ccc1SC[C@@H](C)CO)C 62a_100010138632_100000059175 [0,1,0,0,0,0|2,1,0]=4 4624 B15R1.13065 COc1nc(ccc1SC[C@@H](C)CO)N 62a_100000059175_100010187630 [0,1,0,0,0,0|2,1,0]=4 4625 B15R1.13065 COc1nc(ccc1SC[C@@H](C)CO)N 62a_100010187630_100000059175 [0,1,0,0,0,0|2,1,0]=4 4626 B15R1.13065 COc1nc(ccc1SC[C@@H](O)CF)C 62a_100010138632_100015614560 [0,1,0,0,0,0|2,1,0]=4 4627 B15R1.13065 COc1nc(ccc1SC[C@@H](O)CF)C 62a_100015614560_100010138632 [0,1,0,0,0,0|2,1,0]=4 4628 B15R1.13065 COc1nc(ccc1SC[C@@H](O)CF)N 62a_100010187630_100015614560 [0,1,0,0,0,0|2,1,0]=4 4629 B15R1.13065 COc1nc(ccc1SC[C@@H](O)CF)N 62a_100015614560_100010187630 [0,1,0,0,0,0|2,1,0]=4 4630 B15R1.13065 COc1nc(ccc1SC[C@@H](O)CO)C 62a_100009815848_100010138632 [0,1,0,0,0,0|1,1,0]=3 4631 B15R1.13065 COc1nc(ccc1SC[C@@H](O)CO)C 62a_100010138632_100009815848 [0,1,0,0,0,0|1,1,0]=3 4632 B15R1.13065 COc1nc(ccc1SC[C@@H](O)CO)N 62a_100009815848_100010187630 [0,1,0,0,0,0|1,1,0]=3 4633 B15R1.13065 COc1nc(ccc1SC[C@@H](O)CO)N 62a_100010187630_100009815848 [0,1,0,0,0,0|1,1,0]=3 4634 B15R1.13065 COc1nc(cnc1SCC(O)CO)Br 62a_100010214903_100011219619 [0,1,0,0,0,0|2,1,0]=4 4635 B15R1.13065 COc1nc(cnc1SCC(O)CO)Br 62a_100011219619_100010214903 [0,1,0,0,0,0|2,1,0]=4 4636 B15R1.13065 COc1nc(cnc1SCC(O)CO)N 62a_100010128448_100011219619 [0,1,0,0,0,0|2,1,0]=4 4637 B15R1.13065 COc1nc(cnc1SCC(O)CO)N 62a_100011219619_100010128448 [0,1,0,0,0,0|2,1,0]=4 4638 B15R1.13065 COc1nc(cnc1SC[C@@H](O)CO)Br 62a_100009815848_100010214903 [0,1,0,0,0,0|2,1,0]=4 4639 B15R1.13065 COc1nc(cnc1SC[C@@H](O)CO)Br 62a_100010214903_100009815848 [0,1,0,0,0,0|2,1,0]=4 4640 B15R1.13065 COc1nc(cnc1SC[C@@H](O)CO)N 62a_100009815848_100010128448 [0,1,0,0,0,0|2,1,0]=4 4641 B15R1.13065 COc1nc(cnc1SC[C@@H](O)CO)N 62a_100010128448_100009815848 [0,1,0,0,0,0|2,1,0]=4 4642 B15R1.13065 COc1nc(ncc1SCC(O)CO)Cl 62a_100011219619_200010294032 [0,1,0,0,0,0|2,1,0]=4 4643 B15R1.13065 COc1nc(ncc1SCC(O)CO)Cl 62a_200010294032_100011219619 [0,1,0,0,0,0|2,1,0]=4 4644 B15R1.13065 COc1nc(ncc1SCC(O)CO)N 62a_100010240410_100011219619 [0,1,0,0,0,0|2,1,0]=4 4645 B15R1.13065 COc1nc(ncc1SCC(O)CO)N 62a_100011219619_100010240410 [0,1,0,0,0,0|2,1,0]=4 4646 B15R1.13065 COc1nc(ncc1SC[C@@H](O)CO)Cl 62a_100009815848_200010294032 [0,1,0,0,0,0|2,1,0]=4 4647 B15R1.13065 COc1nc(ncc1SC[C@@H](O)CO)Cl 62a_200010294032_100009815848 [0,1,0,0,0,0|2,1,0]=4 4648 B15R1.13065 COc1nc(ncc1SC[C@@H](O)CO)N 62a_100009815848_100010240410 [0,1,0,0,0,0|2,1,0]=4 4649 B15R1.13065 COc1nc(ncc1SC[C@@H](O)CO)N 62a_100010240410_100009815848 [0,1,0,0,0,0|2,1,0]=4 4650 B15R1.13065 CSc1cc(ccc1SCC(O)CO)C 62a_100011219619_200010709736 [0,1,0,0,0,0|0,2,0]=3 4651 B15R1.13065 CSc1cc(ccc1SCC(O)CO)C 62a_200010709736_100011219619 [0,1,0,0,0,0|0,2,0]=3 4652 B15R1.13065 CSc1cc(ccc1SC[C@@H](C)CO)C 62a_100000059175_200010709736 [0,1,0,0,0,0|1,2,0]=4 4653 B15R1.13065 CSc1cc(ccc1SC[C@@H](C)CO)C 62a_200010709736_100000059175 [0,1,0,0,0,0|1,2,0]=4 4654 B15R1.13065 CSc1cc(ccc1SC[C@@H](O)CF)C 62a_100015614560_200010709736 [0,1,0,0,0,0|1,2,0]=4 4655 B15R1.13065 CSc1cc(ccc1SC[C@@H](O)CF)C 62a_200010709736_100015614560 [0,1,0,0,0,0|1,2,0]=4 4656 B15R1.13065 CSc1cc(ccc1SC[C@@H](O)CO)C 62a_100009815848_200010709736 [0,1,0,0,0,0|0,2,0]=3 4657 B15R1.13065 CSc1cc(ccc1SC[C@@H](O)CO)C 62a_200010709736_100009815848 [0,1,0,0,0,0|0,2,0]=3 4658 B15R1.13065 CSc1cc(cnc1NC[C@H](O)CO)C 27a_100020644852_100010884634 [0,1,0,0,0,0|2,1,0]=4 4659 B15R1.13065 CSc1cc(cnc1SCC(O)CO)C 62a_100010884634_100011219619 [0,1,0,0,0,0|1,2,0]=4 4660 B15R1.13065 CSc1cc(cnc1SCC(O)CO)C 62a_100011219619_100010884634 [0,1,0,0,0,0|1,2,0]=4 4661 B15R1.13065 CSc1cc(cnc1SC[C@@H](O)CO)C 62a_100009815848_100010884634 [0,1,0,0,0,0|1,2,0]=4 4662 B15R1.13065 CSc1cc(cnc1SC[C@@H](O)CO)C 62a_100010884634_100009815848 [0,1,0,0,0,0|1,2,0]=4 4663 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)Br 34a_100000687585_100000059175 [0,1,0,0,0,0|3,0,0]=4 4664 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)Br 7a_100000687585_100000059175 [0,1,0,0,0,0|3,0,0]=4 4665 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)Cl 34a_100011219380_100000059175 [0,1,0,0,0,0|3,0,0]=4 4666 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)Cl 7a_100011219380_100000059175 [0,1,0,0,0,0|3,0,0]=4 4667 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)F 34a_100011900173_100000059175 [0,1,0,0,0,0|3,0,0]=4 4668 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)F 7a_100011900173_100000059175 [0,1,0,0,0,0|3,0,0]=4 4669 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)I 34a_200000049958_100000059175 [0,1,0,0,0,0|3,0,0]=4 4670 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)I 7a_200000049958_100000059175 [0,1,0,0,0,0|3,0,0]=4 4671 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)N 34a_100011249283_100000059175 [0,1,0,0,0,0|3,0,0]=4 4672 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)N 7a_100011249283_100000059175 [0,1,0,0,0,0|3,0,0]=4 4673 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CBr)F 34a_100010161318_100000059175 [0,1,0,0,0,0|3,0,0]=4 4674 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CBr)F 7a_100010161318_100000059175 [0,1,0,0,0,0|3,0,0]=4 4675 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CN)Br 34a_100000730032_100000059175 [0,1,0,0,0,0|3,0,0]=4 4676 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CN)Cl 34a_100000238540_100000059175 [0,1,0,0,0,0|3,0,0]=4 4677 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CO)Br 34a_100000184703_100000059175 [0,1,0,0,0,0|3,0,0]=4 4678 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CO)Br 7a_100000184703_100000059175 [0,1,0,0,0,0|3,0,0]=4 4679 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CO)Cl 34a_100011218961_100000059175 [0,1,0,0,0,0|3,0,0]=4 4680 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CO)Cl 7a_100011218961_100000059175 [0,1,0,0,0,0|3,0,0]=4 4681 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CO)F 34a_100011291448_100000059175 [0,1,0,0,0,0|3,0,0]=4 4682 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CO)F 7a_100011291448_100000059175 [0,1,0,0,0,0|3,0,0]=4 4683 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CO)I 34a_100000049520_100000059175 [0,1,0,0,0,0|3,0,0]=4 4684 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CO)I 7a_100000049520_100000059175 [0,1,0,0,0,0|3,0,0]=4 4685 B15R1.13065 Cc1ccc(c(c1)C#N)NCC(O)CO 7a_100011934023_100011219619 [0,1,0,0,0,0|3,0,0]=4 4686 B15R1.13065 Cc1ccc(c(c1)C#N)NC[C@@H](O)CO 7a_100011934023_100009815848 [0,1,0,0,0,0|3,0,0]=4 4687 B15R1.13065 Cc1ccc(c(c1)C#N)OCC(O)CO 34a_200012180384_100011219619 [0,1,0,0,0,0|2,0,0]=3 4688 B15R1.13065 Cc1ccc(c(c1)C#N)OCC(O)CO 7a_200012180384_100011219619 [0,1,0,0,0,0|2,0,0]=3 4689 B15R1.13065 Cc1ccc(c(c1)C#N)OC[C@@H](C)CO 34a_200012180384_100000059175 [0,1,0,0,0,0|3,0,0]=4 4690 B15R1.13065 Cc1ccc(c(c1)C#N)OC[C@@H](C)CO 7a_200012180384_100000059175 [0,1,0,0,0,0|3,0,0]=4 4691 B15R1.13065 Cc1ccc(c(c1)C#N)OC[C@@H](O)CF 34a_200012180384_100015614560 [0,1,0,0,0,0|3,0,0]=4 4692 B15R1.13065 Cc1ccc(c(c1)C#N)OC[C@@H](O)CF 7a_200012180384_100015614560 [0,1,0,0,0,0|3,0,0]=4 4693 B15R1.13065 Cc1ccc(c(c1)C#N)OC[C@@H](O)CO 34a_200012180384_100009815848 [0,1,0,0,0,0|2,0,0]=3 4694 B15R1.13065 Cc1ccc(c(c1)C#N)OC[C@@H](O)CO 7a_200012180384_100009815848 [0,1,0,0,0,0|2,0,0]=3 4695 B15R1.13065 Cc1ccc(c(c1)C#N)SCC(O)CO 62a_100011219619_100011935190 [0,1,0,0,0,0|2,1,0]=4 4696 B15R1.13065 Cc1ccc(c(c1)C#N)SC[C@@H](O)CO 62a_100009815848_100011935190 [0,1,0,0,0,0|2,1,0]=4 4697 B15R1.13065 Cc1ccc(c(c1)C=O)SCC(O)CO 62a_100011219619_100011551863 [0,1,0,0,0,0|2,1,0]=4 4698 B15R1.13065 Cc1ccc(c(c1)C=O)SCC(O)CO 62a_100011551863_100011219619 [0,1,0,0,0,0|2,1,0]=4 4699 B15R1.13065 Cc1ccc(c(c1)C=O)SC[C@@H](O)CO 62a_100009815848_100011551863 [0,1,0,0,0,0|2,1,0]=4 4700 B15R1.13065 Cc1ccc(c(c1)C=O)SC[C@@H](O)CO 62a_100011551863_100009815848 [0,1,0,0,0,0|2,1,0]=4 4701 B15R1.13065 Cc1ccc(c(c1)CO)NCC(O)CO 34a_100011215565_100011219619 [0,1,0,0,0,0|3,0,0]=4 4702 B15R1.13065 Cc1ccc(c(c1)CO)NC[C@@H](O)CO 34a_100011215565_100009815848 [0,1,0,0,0,0|3,0,0]=4 4703 B15R1.13065 Cc1ccc(c(c1)CO)OCC(O)CO 34a_200011846009_100011219619 [0,1,0,0,0,0|2,0,0]=3 4704 B15R1.13065 Cc1ccc(c(c1)CO)OCC(O)CO 7a_200011846009_100011219619 [0,1,0,0,0,0|2,0,0]=3 4705 B15R1.13065 Cc1ccc(c(c1)CO)OC[C@@H](C)CO 34a_200011846009_100000059175 [0,1,0,0,0,0|3,0,0]=4 4706 B15R1.13065 Cc1ccc(c(c1)CO)OC[C@@H](C)CO 7a_200011846009_100000059175 [0,1,0,0,0,0|3,0,0]=4 4707 B15R1.13065 Cc1ccc(c(c1)CO)OC[C@@H](O)CF 34a_200011846009_100015614560 [0,1,0,0,0,0|3,0,0]=4 4708 B15R1.13065 Cc1ccc(c(c1)CO)OC[C@@H](O)CF 7a_200011846009_100015614560 [0,1,0,0,0,0|3,0,0]=4 4709 B15R1.13065 Cc1ccc(c(c1)CO)OC[C@@H](O)CO 34a_200011846009_100009815848 [0,1,0,0,0,0|2,0,0]=3 4710 B15R1.13065 Cc1ccc(c(c1)CO)OC[C@@H](O)CO 7a_200011846009_100009815848 [0,1,0,0,0,0|2,0,0]=3 4711 B15R1.13065 Cc1ccc(c(c1)CO)SCC(O)CO 62a_100011219619_100012361352 [0,1,0,0,0,0|2,1,0]=4 4712 B15R1.13065 Cc1ccc(c(c1)CO)SCC(O)CO 62a_100012361352_100011219619 [0,1,0,0,0,0|2,1,0]=4 4713 B15R1.13065 Cc1ccc(c(c1)CO)SC[C@@H](O)CO 62a_100009815848_100012361352 [0,1,0,0,0,0|2,1,0]=4 4714 B15R1.13065 Cc1ccc(c(c1)CO)SC[C@@H](O)CO 62a_100012361352_100009815848 [0,1,0,0,0,0|2,1,0]=4 4715 B15R1.13065 Cc1ccc(c(n1)CCl)OCC(O)CO 34a_100020630696_100011219619 [0,1,0,0,0,0|3,0,0]=4 4716 B15R1.13065 Cc1ccc(c(n1)CCl)OCC(O)CO 7a_100020630696_100011219619 [0,1,0,0,0,0|3,0,0]=4 4717 B15R1.13065 Cc1ccc(c(n1)CCl)OC[C@@H](O)CO 34a_100020630696_100009815848 [0,1,0,0,0,0|3,0,0]=4 4718 B15R1.13065 Cc1ccc(c(n1)CCl)OC[C@@H](O)CO 7a_100020630696_100009815848 [0,1,0,0,0,0|3,0,0]=4 4719 B15R1.13065 Cc1ccc(c(n1)CO)OCC(O)CO 34a_100000751967_100011219619 [0,1,0,0,0,0|3,0,0]=4 4720 B15R1.13065 Cc1ccc(c(n1)CO)OC[C@@H](O)CO 34a_100000751967_100009815848 [0,1,0,0,0,0|3,0,0]=4 4721 B15R1.13065 N#Cc1cc(ccc1NCC(O)CO)Br 7a_100000688460_100011219619 [0,1,0,0,0,0|3,0,0]=4 4722 B15R1.13065 N#Cc1cc(ccc1NCC(O)CO)Cl 7a_100011219925_100011219619 [0,1,0,0,0,0|3,0,0]=4 4723 B15R1.13065 N#Cc1cc(ccc1NCC(O)CO)F 34a_100000685569_100011219619 [0,1,0,0,0,0|3,0,0]=4 4724 B15R1.13065 N#Cc1cc(ccc1NCC(O)CO)F 7a_100000685569_100011219619 [0,1,0,0,0,0|3,0,0]=4 4725 B15R1.13065 N#Cc1cc(ccc1NCC(O)CO)I 7a_100000049818_100011219619 [0,1,0,0,0,0|3,0,0]=4 4726 B15R1.13065 N#Cc1cc(ccc1NC[C@@H](O)CO)Br 7a_100000688460_100009815848 [0,1,0,0,0,0|3,0,0]=4 4727 B15R1.13065 N#Cc1cc(ccc1NC[C@@H](O)CO)Cl 7a_100011219925_100009815848 [0,1,0,0,0,0|3,0,0]=4 4728 B15R1.13065 N#Cc1cc(ccc1NC[C@@H](O)CO)F 34a_100000685569_100009815848 [0,1,0,0,0,0|3,0,0]=4 4729 B15R1.13065 N#Cc1cc(ccc1NC[C@@H](O)CO)F 7a_100000685569_100009815848 [0,1,0,0,0,0|3,0,0]=4 4730 B15R1.13065 N#Cc1cc(ccc1NC[C@@H](O)CO)I 7a_100000049818_100009815848 [0,1,0,0,0,0|3,0,0]=4 4731 B15R1.13065 N#Cc1cc(ccc1NC[C@H](O)CO)Br 27a_100020644852_100011219714 [0,1,0,0,0,0|3,0,0]=4 4732 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)Br 34a_100000687585_100011219619 [0,1,0,0,0,0|2,0,0]=3 4733 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)Br 7a_100000687585_100011219619 [0,1,0,0,0,0|2,0,0]=3 4734 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)Cl 34a_100011219380_100011219619 [0,1,0,0,0,0|2,0,0]=3 4735 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)Cl 7a_100011219380_100011219619 [0,1,0,0,0,0|2,0,0]=3 4736 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)F 34a_100011900173_100011219619 [0,1,0,0,0,0|2,0,0]=3 4737 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)F 7a_100011900173_100011219619 [0,1,0,0,0,0|2,0,0]=3 4738 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)I 34a_200000049958_100011219619 [0,1,0,0,0,0|2,0,0]=3 4739 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)I 7a_200000049958_100011219619 [0,1,0,0,0,0|2,0,0]=3 4740 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)N 34a_100011249283_100011219619 [0,1,0,0,0,0|2,0,0]=3 4741 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)N 7a_100011249283_100011219619 [0,1,0,0,0,0|2,0,0]=3 4742 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)Br 34a_100000687585_100015614560 [0,1,0,0,0,0|3,0,0]=4 4743 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)Br 7a_100000687585_100015614560 [0,1,0,0,0,0|3,0,0]=4 4744 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)Cl 34a_100011219380_100015614560 [0,1,0,0,0,0|3,0,0]=4 4745 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)Cl 7a_100011219380_100015614560 [0,1,0,0,0,0|3,0,0]=4 4746 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)F 34a_100011900173_100015614560 [0,1,0,0,0,0|3,0,0]=4 4747 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)F 7a_100011900173_100015614560 [0,1,0,0,0,0|3,0,0]=4 4748 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)I 34a_200000049958_100015614560 [0,1,0,0,0,0|3,0,0]=4 4749 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)I 7a_200000049958_100015614560 [0,1,0,0,0,0|3,0,0]=4 4750 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)N 34a_100011249283_100015614560 [0,1,0,0,0,0|3,0,0]=4 4751 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)N 7a_100011249283_100015614560 [0,1,0,0,0,0|3,0,0]=4 4752 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)Br 34a_100000687585_100009815848 [0,1,0,0,0,0|2,0,0]=3 4753 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)Br 7a_100000687585_100009815848 [0,1,0,0,0,0|2,0,0]=3 4754 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)Cl 34a_100011219380_100009815848 [0,1,0,0,0,0|2,0,0]=3 4755 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)Cl 7a_100011219380_100009815848 [0,1,0,0,0,0|2,0,0]=3 4756 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)F 34a_100011900173_100009815848 [0,1,0,0,0,0|2,0,0]=3 4757 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)F 7a_100011900173_100009815848 [0,1,0,0,0,0|2,0,0]=3 4758 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)I 34a_200000049958_100009815848 [0,1,0,0,0,0|2,0,0]=3 4759 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)I 7a_200000049958_100009815848 [0,1,0,0,0,0|2,0,0]=3 4760 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)N 34a_100011249283_100009815848 [0,1,0,0,0,0|2,0,0]=3 4761 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)N 7a_100011249283_100009815848 [0,1,0,0,0,0|2,0,0]=3 4762 B15R1.13065 N#Cc1cc(ccc1SCC(O)CO)Br 62a_100011219619_100011219714 [0,1,0,0,0,0|2,1,0]=4 4763 B15R1.13065 N#Cc1cc(ccc1SCC(O)CO)Cl 62a_100011219619_200011356825 [0,1,0,0,0,0|2,1,0]=4 4764 B15R1.13065 N#Cc1cc(ccc1SCC(O)CO)F 62a_100011219619_100000747550 [0,1,0,0,0,0|2,1,0]=4 4765 B15R1.13065 N#Cc1cc(ccc1SCC(O)CO)N 62a_100011219619_100011934039 [0,1,0,0,0,0|2,1,0]=4 4766 B15R1.13065 N#Cc1cc(ccc1SCC(O)CO)O 62a_100011219619_100009818209 [0,1,0,0,0,0|2,1,0]=4 4767 B15R1.13065 N#Cc1cc(ccc1SC[C@@H](O)CO)Br 62a_100009815848_100011219714 [0,1,0,0,0,0|2,1,0]=4 4768 B15R1.13065 N#Cc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100009815848_200011356825 [0,1,0,0,0,0|2,1,0]=4 4769 B15R1.13065 N#Cc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100000747550 [0,1,0,0,0,0|2,1,0]=4 4770 B15R1.13065 N#Cc1cc(ccc1SC[C@@H](O)CO)N 62a_100009815848_100011934039 [0,1,0,0,0,0|2,1,0]=4 4771 B15R1.13065 N#Cc1cc(ccc1SC[C@@H](O)CO)O 62a_100009815848_100009818209 [0,1,0,0,0,0|2,1,0]=4 4772 B15R1.13065 NCc1cc(ccc1OCC(O)CO)Br 34a_100000730032_100011219619 [0,1,0,0,0,0|2,0,0]=3 4773 B15R1.13065 NCc1cc(ccc1OCC(O)CO)Cl 34a_100000238540_100011219619 [0,1,0,0,0,0|2,0,0]=3 4774 B15R1.13065 NCc1cc(ccc1OC[C@@H](O)CF)Br 34a_100000730032_100015614560 [0,1,0,0,0,0|3,0,0]=4 4775 B15R1.13065 NCc1cc(ccc1OC[C@@H](O)CF)Cl 34a_100000238540_100015614560 [0,1,0,0,0,0|3,0,0]=4 4776 B15R1.13065 NCc1cc(ccc1OC[C@@H](O)CO)Br 34a_100000730032_100009815848 [0,1,0,0,0,0|2,0,0]=3 4777 B15R1.13065 NCc1cc(ccc1OC[C@@H](O)CO)Cl 34a_100000238540_100009815848 [0,1,0,0,0,0|2,0,0]=3 4778 B15R1.13065 NCc1cc(ccc1SCC(O)CO)F 62a_100000742738_100011219619 [0,1,0,0,0,0|2,1,0]=4 4779 B15R1.13065 NCc1cc(ccc1SCC(O)CO)F 62a_100011219619_100000742738 [0,1,0,0,0,0|2,1,0]=4 4780 B15R1.13065 NCc1cc(ccc1SC[C@@H](O)CO)F 62a_100000742738_100009815848 [0,1,0,0,0,0|2,1,0]=4 4781 B15R1.13065 NCc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100000742738 [0,1,0,0,0,0|2,1,0]=4 4782 B15R1.13065 NNc1cc(ccc1SCC(O)CO)F 62a_100011219619_100012362518 [0,1,0,0,0,0|2,1,0]=4 4783 B15R1.13065 NNc1cc(ccc1SCC(O)CO)F 62a_100012362518_100011219619 [0,1,0,0,0,0|2,1,0]=4 4784 B15R1.13065 NNc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100012362518 [0,1,0,0,0,0|2,1,0]=4 4785 B15R1.13065 NNc1cc(ccc1SC[C@@H](O)CO)F 62a_100012362518_100009815848 [0,1,0,0,0,0|2,1,0]=4 4786 B15R1.13065 Nc1ccc(c(c1)CO)SCC(O)CO 62a_100011219619_100012347228 [0,1,0,0,0,0|2,1,0]=4 4787 B15R1.13065 Nc1ccc(c(c1)CO)SCC(O)CO 62a_100012347228_100011219619 [0,1,0,0,0,0|2,1,0]=4 4788 B15R1.13065 Nc1ccc(c(c1)CO)SC[C@@H](O)CO 62a_100009815848_100012347228 [0,1,0,0,0,0|2,1,0]=4 4789 B15R1.13065 Nc1ccc(c(c1)CO)SC[C@@H](O)CO 62a_100012347228_100009815848 [0,1,0,0,0,0|2,1,0]=4 4790 B15R1.13065 O=Cc1cc(ccc1SCC(O)CO)Br 62a_100010185651_100011219619 [0,1,0,0,0,0|2,1,0]=4 4791 B15R1.13065 O=Cc1cc(ccc1SCC(O)CO)Br 62a_100011219619_100010185651 [0,1,0,0,0,0|2,1,0]=4 4792 B15R1.13065 O=Cc1cc(ccc1SCC(O)CO)Cl 62a_100010254386_100011219619 [0,1,0,0,0,0|2,1,0]=4 4793 B15R1.13065 O=Cc1cc(ccc1SCC(O)CO)Cl 62a_100011219619_100010254386 [0,1,0,0,0,0|2,1,0]=4 4794 B15R1.13065 O=Cc1cc(ccc1SCC(O)CO)F 62a_100011218309_100011219619 [0,1,0,0,0,0|2,1,0]=4 4795 B15R1.13065 O=Cc1cc(ccc1SCC(O)CO)F 62a_100011219619_100011218309 [0,1,0,0,0,0|2,1,0]=4 4796 B15R1.13065 O=Cc1cc(ccc1SCC(O)CO)O 62a_100000690577_100011219619 [0,1,0,0,0,0|2,1,0]=4 4797 B15R1.13065 O=Cc1cc(ccc1SCC(O)CO)O 62a_100011219619_100000690577 [0,1,0,0,0,0|2,1,0]=4 4798 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CO)Br 62a_100009815848_100010185651 [0,1,0,0,0,0|2,1,0]=4 4799 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CO)Br 62a_100010185651_100009815848 [0,1,0,0,0,0|2,1,0]=4 4800 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100009815848_100010254386 [0,1,0,0,0,0|2,1,0]=4 4801 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100010254386_100009815848 [0,1,0,0,0,0|2,1,0]=4 4802 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100011218309 [0,1,0,0,0,0|2,1,0]=4 4803 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CO)F 62a_100011218309_100009815848 [0,1,0,0,0,0|2,1,0]=4 4804 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CO)O 62a_100000690577_100009815848 [0,1,0,0,0,0|2,1,0]=4 4805 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CO)O 62a_100009815848_100000690577 [0,1,0,0,0,0|2,1,0]=4 4806 B15R1.13065 OCC(O)COc1ccc(cc1CBr)F 34a_100010161318_100011219619 [0,1,0,0,0,0|2,0,0]=3 4807 B15R1.13065 OCC(O)COc1ccc(cc1CBr)F 7a_100010161318_100011219619 [0,1,0,0,0,0|2,0,0]=3 4808 B15R1.13065 OC[C@H](O)COc1ccc(cc1CBr)F 34a_100010161318_100009815848 [0,1,0,0,0,0|2,0,0]=3 4809 B15R1.13065 OC[C@H](O)COc1ccc(cc1CBr)F 7a_100010161318_100009815848 [0,1,0,0,0,0|2,0,0]=3 4810 B15R1.13065 OCc1cc(ccc1NCC(O)CO)Br 34a_100012353972_100011219619 [0,1,0,0,0,0|3,0,0]=4 4811 B15R1.13065 OCc1cc(ccc1NCC(O)CO)Cl 34a_100011214999_100011219619 [0,1,0,0,0,0|3,0,0]=4 4812 B15R1.13065 OCc1cc(ccc1NCC(O)CO)F 34a_100011296978_100011219619 [0,1,0,0,0,0|3,0,0]=4 4813 B15R1.13065 OCc1cc(ccc1NC[C@@H](O)CO)Br 34a_100012353972_100009815848 [0,1,0,0,0,0|3,0,0]=4 4814 B15R1.13065 OCc1cc(ccc1NC[C@@H](O)CO)Cl 34a_100011214999_100009815848 [0,1,0,0,0,0|3,0,0]=4 4815 B15R1.13065 OCc1cc(ccc1NC[C@@H](O)CO)F 34a_100011296978_100009815848 [0,1,0,0,0,0|3,0,0]=4 4816 B15R1.13065 OCc1cc(ccc1OCC(O)CO)Br 34a_100000184703_100011219619 [0,1,0,0,0,0|2,0,0]=3 4817 B15R1.13065 OCc1cc(ccc1OCC(O)CO)Br 7a_100000184703_100011219619 [0,1,0,0,0,0|2,0,0]=3 4818 B15R1.13065 OCc1cc(ccc1OCC(O)CO)Cl 34a_100011218961_100011219619 [0,1,0,0,0,0|2,0,0]=3 4819 B15R1.13065 OCc1cc(ccc1OCC(O)CO)Cl 7a_100011218961_100011219619 [0,1,0,0,0,0|2,0,0]=3 4820 B15R1.13065 OCc1cc(ccc1OCC(O)CO)F 34a_100011291448_100011219619 [0,1,0,0,0,0|2,0,0]=3 4821 B15R1.13065 OCc1cc(ccc1OCC(O)CO)F 7a_100011291448_100011219619 [0,1,0,0,0,0|2,0,0]=3 4822 B15R1.13065 OCc1cc(ccc1OCC(O)CO)I 34a_100000049520_100011219619 [0,1,0,0,0,0|2,0,0]=3 4823 B15R1.13065 OCc1cc(ccc1OCC(O)CO)I 7a_100000049520_100011219619 [0,1,0,0,0,0|2,0,0]=3 4824 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CF)Br 34a_100000184703_100015614560 [0,1,0,0,0,0|3,0,0]=4 4825 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CF)Br 7a_100000184703_100015614560 [0,1,0,0,0,0|3,0,0]=4 4826 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CF)Cl 34a_100011218961_100015614560 [0,1,0,0,0,0|3,0,0]=4 4827 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CF)Cl 7a_100011218961_100015614560 [0,1,0,0,0,0|3,0,0]=4 4828 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CF)F 34a_100011291448_100015614560 [0,1,0,0,0,0|3,0,0]=4 4829 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CF)F 7a_100011291448_100015614560 [0,1,0,0,0,0|3,0,0]=4 4830 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CF)I 34a_100000049520_100015614560 [0,1,0,0,0,0|3,0,0]=4 4831 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CF)I 7a_100000049520_100015614560 [0,1,0,0,0,0|3,0,0]=4 4832 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CO)Br 34a_100000184703_100009815848 [0,1,0,0,0,0|2,0,0]=3 4833 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CO)Br 7a_100000184703_100009815848 [0,1,0,0,0,0|2,0,0]=3 4834 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CO)Cl 34a_100011218961_100009815848 [0,1,0,0,0,0|2,0,0]=3 4835 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CO)Cl 7a_100011218961_100009815848 [0,1,0,0,0,0|2,0,0]=3 4836 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CO)F 34a_100011291448_100009815848 [0,1,0,0,0,0|2,0,0]=3 4837 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CO)F 7a_100011291448_100009815848 [0,1,0,0,0,0|2,0,0]=3 4838 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CO)I 34a_100000049520_100009815848 [0,1,0,0,0,0|2,0,0]=3 4839 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CO)I 7a_100000049520_100009815848 [0,1,0,0,0,0|2,0,0]=3 4840 B15R1.13065 OCc1cc(ccc1SCC(O)CO)Br 62a_100011219619_100011356890 [0,1,0,0,0,0|2,1,0]=4 4841 B15R1.13065 OCc1cc(ccc1SCC(O)CO)Br 62a_100011356890_100011219619 [0,1,0,0,0,0|2,1,0]=4 4842 B15R1.13065 OCc1cc(ccc1SCC(O)CO)F 62a_100011217561_100011219619 [0,1,0,0,0,0|2,1,0]=4 4843 B15R1.13065 OCc1cc(ccc1SCC(O)CO)F 62a_100011219619_100011217561 [0,1,0,0,0,0|2,1,0]=4 4844 B15R1.13065 OCc1cc(ccc1SCC(O)CO)O 62a_100011219619_100012351483 [0,1,0,0,0,0|2,1,0]=4 4845 B15R1.13065 OCc1cc(ccc1SCC(O)CO)O 62a_100012351483_100011219619 [0,1,0,0,0,0|2,1,0]=4 4846 B15R1.13065 OCc1cc(ccc1SC[C@@H](O)CO)Br 62a_100009815848_100011356890 [0,1,0,0,0,0|2,1,0]=4 4847 B15R1.13065 OCc1cc(ccc1SC[C@@H](O)CO)Br 62a_100011356890_100009815848 [0,1,0,0,0,0|2,1,0]=4 4848 B15R1.13065 OCc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100011217561 [0,1,0,0,0,0|2,1,0]=4 4849 B15R1.13065 OCc1cc(ccc1SC[C@@H](O)CO)F 62a_100011217561_100009815848 [0,1,0,0,0,0|2,1,0]=4 4850 B15R1.13065 OCc1cc(ccc1SC[C@@H](O)CO)O 62a_100009815848_100012351483 [0,1,0,0,0,0|2,1,0]=4 4851 B15R1.13065 OCc1cc(ccc1SC[C@@H](O)CO)O 62a_100012351483_100009815848 [0,1,0,0,0,0|2,1,0]=4 4852 B15R1.13065 O[C@@H](CF)COc1ccc(cc1CBr)F 34a_100010161318_100015614560 [0,1,0,0,0,0|3,0,0]=4 4853 B15R1.13065 O[C@@H](CF)COc1ccc(cc1CBr)F 7a_100010161318_100015614560 [0,1,0,0,0,0|3,0,0]=4 4854 B13R0.147 CCC/C=C/C=C/COCC(O)CO 34a_100016294078_100011219619 [0,0,1,0,0,0|1,0,2]=4 4855 B13R0.147 CCC/C=C/C=C/COC[C@@H](O)CO 34a_100016294078_100009815848 [0,0,1,0,0,0|1,0,2]=4 4856 B15R2.4 CC(CO)NC1COc2c1cccc2 2230a_100000747519_100012180447 [0,0,0,1,0,0|3,0,0]=4 4857 B15R2.1601 CC(N[13CH3])C1COc2ccccc2O1 2230a_100015185755_200025704644 [0,0,0,1,0,0|3,0,0]=4 4858 B15R2.1601 CC(N[13CH3])C1COc2ccccc2O1 34a_100015185755_200025704644 [0,0,0,1,0,0|3,0,0]=4 4859 B15R2.1601 CCC(=O)C1COc2ccccc2O1 1458a_100000182656_100000210202 [0,0,0,1,0,0|1,0,2]=4 4860 B15R2.1601 CNC(C)C1COc2ccccc2O1 2230a_100015185755_200000210301 [0,0,0,1,0,0|3,0,0]=4 4861 B15R2.1601 CNC(C)C1COc2ccccc2O1 270004a_106832991635_100011934066 [0,0,0,1,0,0|3,0,0]=4 4862 B15R2.1601 CNC(C)C1COc2ccccc2O1 34a_100015185755_200000210301 [0,0,0,1,0,0|3,0,0]=4 4863 B15R2.1601 O=C(CF)C1COc2ccccc2O1 1458a_100000182656_100015361967 [0,0,0,1,0,0|1,0,2]=4 4864 B15R2.1919 COc1ccccc1OC2CCC2=O 34a_100000210385_100009892977 [0,0,0,1,0,0|1,0,2]=4 4865 B15R2.1922 C#Cc1ccccc1OCC2(CO2)C 34a_200011470546_100000760498 [0,0,0,1,0,0|2,0,1]=4 4866 B15R2.1922 CC1(CO1)COc2ccccc2C#N 34a_100000211048_100000760498 [0,0,0,1,0,0|3,0,0]=4 4867 B15R2.1922 CC1(CO1)COc2ccccc2CN 34a_100000185550_100000760498 [0,0,0,1,0,0|3,0,0]=4 4868 B15R2.1922 CC1(CO1)COc2ccccc2CO 34a_100011216872_100000760498 [0,0,0,1,0,0|3,0,0]=4 4869 B15R2.1922 CCc1ccccc1NCC2(CO2)C 34a_100000212081_100000760498 [0,0,0,1,0,0|3,0,0]=4 4870 B15R2.1922 CCc1ccccc1OCC2(CO2)C 34a_100000210936_100000760498 [0,0,0,1,0,0|2,0,0]=3 4871 B15R2.1922 CCc1ccccc1SCC2(CO2)C 62a_100000760498_100011215823 [0,0,0,1,0,0|2,1,0]=4 4872 B15R2.1922 CCc1ccccc1SCC2(CO2)C 62a_100011215823_100000760498 [0,0,0,1,0,0|2,1,0]=4 4873 B15R2.1922 CNc1ccccc1OCC2(CO2)C 34a_100000033821_100000760498 [0,0,0,1,0,0|2,0,0]=3 4874 B15R2.1922 CNc1ccccc1SCC2(CO2)C 62a_100000760498_100020606079 [0,0,0,1,0,0|2,1,0]=4 4875 B15R2.1922 CNc1ccccc1SCC2(CO2)C 62a_100020606079_100000760498 [0,0,0,1,0,0|2,1,0]=4 4876 B15R2.1922 COc1ccccc1NCC2(CO2)C 34a_100000210025_100000760498 [0,0,0,1,0,0|2,0,0]=3 4877 B15R2.1922 COc1ccccc1OCC2(CO2)C 34a_100000210385_100000760498 [0,0,0,1,0,0|1,0,0]=2 4878 B15R2.1922 COc1ccccc1SCC2(CO2)C 62a_100000210334_100000760498 [0,0,0,1,0,0|1,1,0]=3 4879 B15R2.1922 COc1ccccc1SCC2(CO2)C 62a_100000760498_100000210334 [0,0,0,1,0,0|1,1,0]=3 4880 B15R2.1922 COc1cccnc1OCC2(CO2)C 34a_100025773188_100000760498 [0,0,0,1,0,0|2,0,0]=3 4881 B15R2.1922 COc1cccnc1SCC2(CO2)C 62a_100000760498_100000690851 [0,0,0,1,0,0|2,1,0]=4 4882 B15R2.1922 COc1cccnc1SCC2(CO2)C 62a_100000767102_100000760498 [0,0,0,1,0,0|2,1,0]=4 4883 B15R2.1922 COc1ccncc1OCC2(CO2)C 34a_100000101186_100000760498 [0,0,0,1,0,0|2,0,0]=3 4884 B15R2.1922 COc1ccncc1SCC2(CO2)C 62a_100000760498_100011997281 [0,0,0,1,0,0|2,1,0]=4 4885 B15R2.1922 COc1ccncc1SCC2(CO2)C 62a_100011997281_100000760498 [0,0,0,1,0,0|2,1,0]=4 4886 B15R2.1922 COc1cnccc1SCC2(CO2)C 62a_100000760498_100016988167 [0,0,0,1,0,0|2,1,0]=4 4887 B15R2.1922 COc1cnccc1SCC2(CO2)C 62a_100016988167_100000760498 [0,0,0,1,0,0|2,1,0]=4 4888 B15R2.1922 COc1ncccc1OCC2(CO2)C 34a_100000698397_100000760498 [0,0,0,1,0,0|2,0,0]=3 4889 B15R2.1922 COc1ncccc1SCC2(CO2)C 62a_100000047025_100000760498 [0,0,0,1,0,0|2,1,0]=4 4890 B15R2.1922 COc1ncccc1SCC2(CO2)C 62a_100000760498_100000047025 [0,0,0,1,0,0|2,1,0]=4 4891 B15R2.1922 CSc1ccccc1NCC2(CO2)C 34a_100000211160_100000760498 [0,0,0,1,0,0|2,1,0]=4 4892 B15R2.1922 CSc1ccccc1OCC2(CO2)C 34a_100011216402_100000760498 [0,0,0,1,0,0|1,1,0]=3 4893 B15R2.1922 CSc1ccccc1SCC2(CO2)C 62a_100000760498_100011217816 [0,0,0,1,0,0|1,2,0]=4 4894 B15R2.1922 CSc1ccccc1SCC2(CO2)C 62a_100011217816_100000760498 [0,0,0,1,0,0|1,2,0]=4 4895 B15R2.2310 CNC1COc2c(cccc2OC)C1 2230a_100000059700_200000210301 [0,0,0,1,0,0|3,0,0]=4 4896 B15R2.2310 CNC1COc2c(cccc2OC)C1 34a_100000059700_200000210301 [0,0,0,1,0,0|3,0,0]=4 4897 B15R2.2310 COc1cccc2c1OCC(C2)N[13CH3] 2230a_100000059700_200025704644 [0,0,0,1,0,0|3,0,0]=4 4898 B15R2.2310 COc1cccc2c1OCC(C2)N[13CH3] 34a_100000059700_200025704644 [0,0,0,1,0,0|3,0,0]=4 4899 B15R2.4953 C#Cc1ccccc1OCC2CCO2 34a_200011470546_100000103362 [0,0,0,1,0,0|2,0,1]=4 4900 B15R2.4953 C#Cc1ccccc1OCC2CCO2 7a_200011470546_100000103362 [0,0,0,1,0,0|2,0,1]=4 4901 B15R2.4953 C#Cc1ccccc1OCC2COC2 34a_200011470546_100010264016 [0,0,0,1,0,0|2,0,1]=4 4902 B15R2.4953 C#Cc1ccccc1OCC2COC2 7a_200011470546_100010264016 [0,0,0,1,0,0|2,0,1]=4 4903 B15R2.4953 CCc1ccccc1NCC2CCO2 2230a_100000212081_100000103362 [0,0,0,1,0,0|3,0,0]=4 4904 B15R2.4953 CCc1ccccc1NCC2CCO2 34a_100000212081_100000103362 [0,0,0,1,0,0|3,0,0]=4 4905 B15R2.4953 CCc1ccccc1NCC2CCO2 7a_100000212081_100000103362 [0,0,0,1,0,0|3,0,0]=4 4906 B15R2.4953 CCc1ccccc1NCC2COC2 2230a_100000212081_100010264016 [0,0,0,1,0,0|3,0,0]=4 4907 B15R2.4953 CCc1ccccc1NCC2COC2 34a_100000212081_100010264016 [0,0,0,1,0,0|3,0,0]=4 4908 B15R2.4953 CCc1ccccc1NCC2COC2 7a_100000212081_100010264016 [0,0,0,1,0,0|3,0,0]=4 4909 B15R2.4953 CCc1ccccc1OCC2CCC2 34a_100000210936_100000763275 [0,0,0,1,0,0|3,0,0]=4 4910 B15R2.4953 CCc1ccccc1OCC2CCC2 7a_100000210936_100000763275 [0,0,0,1,0,0|3,0,0]=4 4911 B15R2.4953 CCc1ccccc1OCC2CCO2 34a_100000210936_100000103362 [0,0,0,1,0,0|2,0,0]=3 4912 B15R2.4953 CCc1ccccc1OCC2CCO2 7a_100000210936_100000103362 [0,0,0,1,0,0|2,0,0]=3 4913 B15R2.4953 CCc1ccccc1OCC2COC2 34a_100000210936_100010264016 [0,0,0,1,0,0|2,0,0]=3 4914 B15R2.4953 CCc1ccccc1OCC2COC2 7a_100000210936_100010264016 [0,0,0,1,0,0|2,0,0]=3 4915 B15R2.4953 CCc1ccccc1SCC2CCO2 62a_100000103362_100011215823 [0,0,0,1,0,0|2,1,0]=4 4916 B15R2.4953 CCc1ccccc1SCC2CCO2 62a_100011215823_100000103362 [0,0,0,1,0,0|2,1,0]=4 4917 B15R2.4953 CCc1ccccc1SCC2COC2 62a_100010264016_100011215823 [0,0,0,1,0,0|2,1,0]=4 4918 B15R2.4953 CCc1ccccc1SCC2COC2 62a_100011215823_100010264016 [0,0,0,1,0,0|2,1,0]=4 4919 B15R2.4953 CNc1ccccc1OCC2CCC2 34a_100000033821_100000763275 [0,0,0,1,0,0|3,0,0]=4 4920 B15R2.4953 CNc1ccccc1OCC2CCO2 34a_100000033821_100000103362 [0,0,0,1,0,0|2,0,0]=3 4921 B15R2.4953 CNc1ccccc1OCC2COC2 34a_100000033821_100010264016 [0,0,0,1,0,0|2,0,0]=3 4922 B15R2.4953 CNc1ccccc1SCC2CCO2 62a_100000103362_100020606079 [0,0,0,1,0,0|2,1,0]=4 4923 B15R2.4953 CNc1ccccc1SCC2CCO2 62a_100020606079_100000103362 [0,0,0,1,0,0|2,1,0]=4 4924 B15R2.4953 CNc1ccccc1SCC2COC2 62a_100010264016_100020606079 [0,0,0,1,0,0|2,1,0]=4 4925 B15R2.4953 CNc1ccccc1SCC2COC2 62a_100020606079_100010264016 [0,0,0,1,0,0|2,1,0]=4 4926 B15R2.4953 COc1ccccc1CNC2COC2 207a_100016991112_100000169842 [0,0,0,1,0,0|3,0,0]=4 4927 B15R2.4953 COc1ccccc1CNC2COC2 2230a_100016991112_100000210004 [0,0,0,1,0,0|3,0,0]=4 4928 B15R2.4953 COc1ccccc1CNC2COC2 270004a_100016991112_100000169842 [0,0,0,1,0,0|3,0,0]=4 4929 B15R2.4953 COc1ccccc1CNC2COC2 34a_100000188900_100009818527 [0,0,0,1,0,0|3,0,0]=4 4930 B15R2.4953 COc1ccccc1COC2COC2 34a_100000211301_100009818527 [0,0,0,1,0,0|3,0,0]=4 4931 B15R2.4953 COc1ccccc1CSC2COC2 62a_100000210004_100009818527 [0,0,0,1,0,0|3,0,0]=4 4932 B15R2.4953 COc1ccccc1NCC2CCC2 34a_100000210025_100000763275 [0,0,0,1,0,0|3,0,0]=4 4933 B15R2.4953 COc1ccccc1NCC2CCO2 34a_100000210025_100000103362 [0,0,0,1,0,0|2,0,0]=3 4934 B15R2.4953 COc1ccccc1NCC2COC2 34a_100000210025_100010264016 [0,0,0,1,0,0|2,0,0]=3 4935 B15R2.4953 COc1ccccc1OCC2CCC2 34a_100000210385_100000763275 [0,0,0,1,0,0|2,0,0]=3 4936 B15R2.4953 COc1ccccc1OCC2CCO2 34a_100000210385_100000103362 [0,0,0,1,0,0|1,0,0]=2 4937 B15R2.4953 COc1ccccc1OCC2COC2 34a_100000210385_100010264016 [0,0,0,1,0,0|1,0,0]=2 4938 B15R2.4953 COc1ccccc1SCC2CCC2 62a_100000210334_100000763275 [0,0,0,1,0,0|2,1,0]=4 4939 B15R2.4953 COc1ccccc1SCC2CCC2 62a_100000763275_100000210334 [0,0,0,1,0,0|2,1,0]=4 4940 B15R2.4953 COc1ccccc1SCC2CCO2 62a_100000103362_100000210334 [0,0,0,1,0,0|1,1,0]=3 4941 B15R2.4953 COc1ccccc1SCC2CCO2 62a_100000210334_100000103362 [0,0,0,1,0,0|1,1,0]=3 4942 B15R2.4953 COc1ccccc1SCC2COC2 62a_100000210334_100010264016 [0,0,0,1,0,0|1,1,0]=3 4943 B15R2.4953 COc1ccccc1SCC2COC2 62a_100010264016_100000210334 [0,0,0,1,0,0|1,1,0]=3 4944 B15R2.4953 COc1cccnc1OCC2CCC2 34a_100025773188_100000763275 [0,0,0,1,0,0|3,0,0]=4 4945 B15R2.4953 COc1cccnc1OCC2CCO2 34a_100025773188_100000103362 [0,0,0,1,0,0|2,0,0]=3 4946 B15R2.4953 COc1cccnc1OCC2COC2 34a_100025773188_100010264016 [0,0,0,1,0,0|2,0,0]=3 4947 B15R2.4953 COc1cccnc1SCC2CCO2 62a_100000103362_100000690851 [0,0,0,1,0,0|2,1,0]=4 4948 B15R2.4953 COc1cccnc1SCC2CCO2 62a_100000767102_100000103362 [0,0,0,1,0,0|2,1,0]=4 4949 B15R2.4953 COc1cccnc1SCC2COC2 62a_100000767102_100010264016 [0,0,0,1,0,0|2,1,0]=4 4950 B15R2.4953 COc1cccnc1SCC2COC2 62a_100010264016_100000690851 [0,0,0,1,0,0|2,1,0]=4 4951 B15R2.4953 COc1ccncc1OCC2CCC2 34a_100000101186_100000763275 [0,0,0,1,0,0|3,0,0]=4 4952 B15R2.4953 COc1ccncc1OCC2CCO2 34a_100000101186_100000103362 [0,0,0,1,0,0|2,0,0]=3 4953 B15R2.4953 COc1ccncc1OCC2COC2 34a_100000101186_100010264016 [0,0,0,1,0,0|2,0,0]=3 4954 B15R2.4953 COc1ccncc1SCC2CCO2 62a_100000103362_100011997281 [0,0,0,1,0,0|2,1,0]=4 4955 B15R2.4953 COc1ccncc1SCC2CCO2 62a_100011997281_100000103362 [0,0,0,1,0,0|2,1,0]=4 4956 B15R2.4953 COc1ccncc1SCC2COC2 62a_100010264016_100011997281 [0,0,0,1,0,0|2,1,0]=4 4957 B15R2.4953 COc1ccncc1SCC2COC2 62a_100011997281_100010264016 [0,0,0,1,0,0|2,1,0]=4 4958 B15R2.4953 COc1cnccc1SCC2CCO2 62a_100000103362_100016988167 [0,0,0,1,0,0|2,1,0]=4 4959 B15R2.4953 COc1cnccc1SCC2CCO2 62a_100016988167_100000103362 [0,0,0,1,0,0|2,1,0]=4 4960 B15R2.4953 COc1cnccc1SCC2COC2 62a_100010264016_100016988167 [0,0,0,1,0,0|2,1,0]=4 4961 B15R2.4953 COc1cnccc1SCC2COC2 62a_100016988167_100010264016 [0,0,0,1,0,0|2,1,0]=4 4962 B15R2.4953 COc1ncccc1OCC2CCC2 34a_100000698397_100000763275 [0,0,0,1,0,0|3,0,0]=4 4963 B15R2.4953 COc1ncccc1OCC2CCC2 7a_100000698397_100000763275 [0,0,0,1,0,0|3,0,0]=4 4964 B15R2.4953 COc1ncccc1OCC2CCO2 34a_100000698397_100000103362 [0,0,0,1,0,0|2,0,0]=3 4965 B15R2.4953 COc1ncccc1OCC2CCO2 7a_100000698397_100000103362 [0,0,0,1,0,0|2,0,0]=3 4966 B15R2.4953 COc1ncccc1OCC2COC2 34a_100000698397_100010264016 [0,0,0,1,0,0|2,0,0]=3 4967 B15R2.4953 COc1ncccc1OCC2COC2 7a_100000698397_100010264016 [0,0,0,1,0,0|2,0,0]=3 4968 B15R2.4953 COc1ncccc1SCC2CCO2 62a_100000047025_100000103362 [0,0,0,1,0,0|2,1,0]=4 4969 B15R2.4953 COc1ncccc1SCC2CCO2 62a_100000103362_100000047025 [0,0,0,1,0,0|2,1,0]=4 4970 B15R2.4953 COc1ncccc1SCC2COC2 62a_100000047025_100010264016 [0,0,0,1,0,0|2,1,0]=4 4971 B15R2.4953 COc1ncccc1SCC2COC2 62a_100010264016_100000047025 [0,0,0,1,0,0|2,1,0]=4 4972 B15R2.4953 CSc1ccccc1NCC2CCO2 34a_100000211160_100000103362 [0,0,0,1,0,0|2,1,0]=4 4973 B15R2.4953 CSc1ccccc1NCC2COC2 34a_100000211160_100010264016 [0,0,0,1,0,0|2,1,0]=4 4974 B15R2.4953 CSc1ccccc1OCC2CCC2 34a_100011216402_100000763275 [0,0,0,1,0,0|2,1,0]=4 4975 B15R2.4953 CSc1ccccc1OCC2CCO2 34a_100011216402_100000103362 [0,0,0,1,0,0|1,1,0]=3 4976 B15R2.4953 CSc1ccccc1OCC2COC2 34a_100011216402_100010264016 [0,0,0,1,0,0|1,1,0]=3 4977 B15R2.4953 CSc1ccccc1SCC2CCO2 62a_100000103362_100011217816 [0,0,0,1,0,0|1,2,0]=4 4978 B15R2.4953 CSc1ccccc1SCC2CCO2 62a_100011217816_100000103362 [0,0,0,1,0,0|1,2,0]=4 4979 B15R2.4953 CSc1ccccc1SCC2COC2 62a_100010264016_100011217816 [0,0,0,1,0,0|1,2,0]=4 4980 B15R2.4953 CSc1ccccc1SCC2COC2 62a_100011217816_100010264016 [0,0,0,1,0,0|1,2,0]=4 4981 B15R2.4953 N#Cc1ccccc1OCC2CCO2 34a_100000211048_100000103362 [0,0,0,1,0,0|3,0,0]=4 4982 B15R2.4953 N#Cc1ccccc1OCC2CCO2 7a_100000211048_100000103362 [0,0,0,1,0,0|3,0,0]=4 4983 B15R2.4953 N#Cc1ccccc1OCC2COC2 34a_100000211048_100010264016 [0,0,0,1,0,0|3,0,0]=4 4984 B15R2.4953 N#Cc1ccccc1OCC2COC2 7a_100000211048_100010264016 [0,0,0,1,0,0|3,0,0]=4 4985 B15R2.4953 NCc1ccccc1OCC2CCO2 34a_100000185550_100000103362 [0,0,0,1,0,0|3,0,0]=4 4986 B15R2.4953 NCc1ccccc1OCC2COC2 34a_100000185550_100010264016 [0,0,0,1,0,0|3,0,0]=4 4987 B15R2.4953 OCc1ccccc1OCC2CCO2 34a_100011216872_100000103362 [0,0,0,1,0,0|3,0,0]=4 4988 B15R2.4953 OCc1ccccc1OCC2COC2 34a_100011216872_100010264016 [0,0,0,1,0,0|3,0,0]=4 4989 B13R1.91 C#CC(C)Oc1ccccc1OC 34a_100000210385_200000035995 [0,0,0,0,1,0|2,0,1]=4 4990 B13R1.91 C#Cc1ccccc1OC(C)CO 34a_200011470546_100012180447 [0,0,0,0,1,0|2,0,1]=4 4991 B13R1.91 C#Cc1ccccc1OC(C)CO 7a_200011470546_100012180447 [0,0,0,0,1,0|2,0,1]=4 4992 B13R1.91 CC(CO)Oc1ccccc1C#N 34a_100000211048_100012180447 [0,0,0,0,1,0|3,0,0]=4 4993 B13R1.91 CC(CO)Oc1ccccc1C#N 7a_100000211048_100012180447 [0,0,0,0,1,0|3,0,0]=4 4994 B13R1.91 CC(CO)Oc1ccccc1CN 34a_100000185550_100012180447 [0,0,0,0,1,0|3,0,0]=4 4995 B13R1.91 CC(CO)Oc1ccccc1CO 34a_100011216872_100012180447 [0,0,0,0,1,0|3,0,0]=4 4996 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000210414_100000210004 [0,0,0,0,1,0|1,0,2]=4 4997 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000211604_100000210202 [0,0,0,0,1,0|1,0,2]=4 4998 B13R1.91 CCC(C)Nc1ccccc1OC 34a_100000210025_100011215416 [0,0,0,0,1,0|3,0,0]=4 4999 B13R1.91 CCC(C)Oc1ccccc1NC 34a_100000033821_100011215416 [0,0,0,0,1,0|3,0,0]=4 5000 B13R1.91 CCC(C)Oc1ccccc1NC 34a_100011202597_200000210301 [0,0,0,0,1,0|3,0,0]=4 5001 B13R1.91 CCC(C)Oc1ccccc1NC 7a_100011202597_200000210301 [0,0,0,0,1,0|3,0,0]=4 5002 B13R1.91 CCC(C)Oc1ccccc1N[13CH3] 34a_100011202597_200025704644 [0,0,0,0,1,0|3,0,0]=4 5003 B13R1.91 CCC(C)Oc1ccccc1N[13CH3] 7a_100011202597_200025704644 [0,0,0,0,1,0|3,0,0]=4 5004 B13R1.91 CCC(C)Oc1ccccc1OC 34a_100000210385_100011215416 [0,0,0,0,1,0|2,0,0]=3 5005 B13R1.91 CCC(C)Oc1ccccc1SC 34a_100011216402_100011215416 [0,0,0,0,1,0|2,1,0]=4 5006 B13R1.91 CCC(C)Oc1cccnc1OC 34a_100000698397_100011215416 [0,0,0,0,1,0|3,0,0]=4 5007 B13R1.91 CCC(C)Oc1cccnc1OC 7a_100000698397_100000758301 [0,0,0,0,1,0|3,0,0]=4 5008 B13R1.91 CCC(C)Oc1cnccc1OC 34a_100000101186_100011215416 [0,0,0,0,1,0|3,0,0]=4 5009 B13R1.91 CCC(C)Oc1ncccc1OC 34a_100025773188_100011215416 [0,0,0,0,1,0|3,0,0]=4 5010 B13R1.91 CCC(C)Sc1ccccc1OC 62a_100000210334_100000758301 [0,0,0,0,1,0|2,1,0]=4 5011 B13R1.91 CCC(C)Sc1ccccc1OC 62a_100000758301_100000210334 [0,0,0,0,1,0|2,1,0]=4 5012 B13R1.91 CCN(C)Cc1ccccc1OC 2230a_100000184376_100000210202 [0,0,0,0,1,0|3,0,0]=4 5013 B13R1.91 CCN(C)Cc1ccccc1OC 2230a_100000225621_100000210004 [0,0,0,0,1,0|3,0,0]=4 5014 B13R1.91 CCN(C)Cc1ccccc1OC 269982a_100000184376_100000204670 [0,0,0,0,1,0|3,0,0]=4 5015 B13R1.91 CCN(C)Cc1ccccc1OC 269982a_100000225621_100000210004 [0,0,0,0,1,0|3,0,0]=4 5016 B13R1.91 CCc1ccccc1NC(C)CO 2230a_100000212081_100012180447 [0,0,0,0,1,0|3,0,0]=4 5017 B13R1.91 CCc1ccccc1NC(C)CO 34a_100000212081_100012180447 [0,0,0,0,1,0|3,0,0]=4 5018 B13R1.91 CCc1ccccc1NC(C)CO 7a_100000212081_100012180447 [0,0,0,0,1,0|3,0,0]=4 5019 B13R1.91 CCc1ccccc1OC(C)CC 34a_100000210936_100011215416 [0,0,0,0,1,0|3,0,0]=4 5020 B13R1.91 CCc1ccccc1OC(C)CC 7a_100000210936_100000758301 [0,0,0,0,1,0|3,0,0]=4 5021 B13R1.91 CCc1ccccc1OC(C)CO 34a_100000210936_100012180447 [0,0,0,0,1,0|2,0,0]=3 5022 B13R1.91 CCc1ccccc1OC(C)CO 7a_100000210936_100012180447 [0,0,0,0,1,0|2,0,0]=3 5023 B13R1.91 CCc1ccccc1SC(C)CO 62a_100012180447_100011215823 [0,0,0,0,1,0|2,1,0]=4 5024 B13R1.91 CCc1ccccc1S[C@H](C)CO 62a_100011215823_100016084084 [0,0,0,0,1,0|2,1,0]=4 5025 B13R1.91 CCc1ccccc1S[C@H](C)CO 62a_100016084084_100011215823 [0,0,0,0,1,0|2,1,0]=4 5026 B13R1.91 CNC(C)Cc1ccccc1OC 270004a_106832991635_100000211486 [0,0,0,0,1,0|3,0,0]=4 5027 B13R1.91 CNc1ccccc1OC(C)CO 34a_100000033821_100012180447 [0,0,0,0,1,0|2,0,0]=3 5028 B13R1.91 CNc1ccccc1SC(C)CO 62a_100012180447_100020606079 [0,0,0,0,1,0|2,1,0]=4 5029 B13R1.91 CNc1ccccc1S[C@H](C)CO 62a_100016084084_100020606079 [0,0,0,0,1,0|2,1,0]=4 5030 B13R1.91 CNc1ccccc1S[C@H](C)CO 62a_100020606079_100016084084 [0,0,0,0,1,0|2,1,0]=4 5031 B13R1.91 COc1ccccc1CC(=O)CF 1458a_100000211604_100015361967 [0,0,0,0,1,0|1,0,2]=4 5032 B13R1.91 COc1ccccc1CC(=O)CO 1458a_100000210174_100000210004 [0,0,0,0,1,0|0,0,2]=3 5033 B13R1.91 COc1ccccc1CC(C)OC 7a_100000691916_200000210301 [0,0,0,0,1,0|3,0,0]=4 5034 B13R1.91 COc1ccccc1CC(C)O[13CH3] 7a_100000691916_200025704644 [0,0,0,0,1,0|3,0,0]=4 5035 B13R1.91 COc1ccccc1CN(C)CF 269982a_100000184376_100015361967 [0,0,0,0,1,0|3,0,0]=4 5036 B13R1.91 COc1ccccc1NC(=O)CO 22a_100000210025_100000210174 [0,0,0,0,1,0|1,0,2]=4 5037 B13R1.91 COc1ccccc1NC(=O)CO 527a_100000210025_100000210174 [0,0,0,0,1,0|1,0,2]=4 5038 B13R1.91 COc1ccccc1NC(C)CO 34a_100000210025_100012180447 [0,0,0,0,1,0|2,0,0]=3 5039 B13R1.91 COc1ccccc1OC(C)CO 34a_100000210385_100012180447 [0,0,0,0,1,0|1,0,0]=2 5040 B13R1.91 COc1ccccc1SC(C)CO 62a_100012180447_100000210334 [0,0,0,0,1,0|1,1,0]=3 5041 B13R1.91 COc1ccccc1S[C@H](C)CO 62a_100000210334_100016084084 [0,0,0,0,1,0|1,1,0]=3 5042 B13R1.91 COc1ccccc1S[C@H](C)CO 62a_100016084084_100000210334 [0,0,0,0,1,0|1,1,0]=3 5043 B13R1.91 COc1cccnc1OC(C)CO 34a_100025773188_100012180447 [0,0,0,0,1,0|2,0,0]=3 5044 B13R1.91 COc1cccnc1SC(C)CO 62a_100012180447_100000690851 [0,0,0,0,1,0|2,1,0]=4 5045 B13R1.91 COc1cccnc1S[C@H](C)CO 62a_100000767102_100016084084 [0,0,0,0,1,0|2,1,0]=4 5046 B13R1.91 COc1cccnc1S[C@H](C)CO 62a_100016084084_100000690851 [0,0,0,0,1,0|2,1,0]=4 5047 B13R1.91 COc1ccncc1OC(C)CO 34a_100000101186_100012180447 [0,0,0,0,1,0|2,0,0]=3 5048 B13R1.91 COc1ccncc1SC(C)CO 62a_100012180447_100011997281 [0,0,0,0,1,0|2,1,0]=4 5049 B13R1.91 COc1ccncc1S[C@H](C)CO 62a_100011997281_100016084084 [0,0,0,0,1,0|2,1,0]=4 5050 B13R1.91 COc1ccncc1S[C@H](C)CO 62a_100016084084_100011997281 [0,0,0,0,1,0|2,1,0]=4 5051 B13R1.91 COc1cnccc1CC(=O)CO 1458a_100000210174_100020635607 [0,0,0,0,1,0|1,0,2]=4 5052 B13R1.91 COc1cnccc1SC(C)CO 62a_100012180447_100016988167 [0,0,0,0,1,0|2,1,0]=4 5053 B13R1.91 COc1cnccc1S[C@H](C)CO 62a_100016084084_100016988167 [0,0,0,0,1,0|2,1,0]=4 5054 B13R1.91 COc1cnccc1S[C@H](C)CO 62a_100016988167_100016084084 [0,0,0,0,1,0|2,1,0]=4 5055 B13R1.91 COc1ncccc1CC(=O)CO 1458a_100000210174_100020631285 [0,0,0,0,1,0|1,0,2]=4 5056 B13R1.91 COc1ncccc1OC(C)CO 34a_100000698397_100012180447 [0,0,0,0,1,0|2,0,0]=3 5057 B13R1.91 COc1ncccc1OC(C)CO 7a_100000698397_100012180447 [0,0,0,0,1,0|2,0,0]=3 5058 B13R1.91 COc1ncccc1SC(C)CO 62a_100012180447_100000047025 [0,0,0,0,1,0|2,1,0]=4 5059 B13R1.91 COc1ncccc1S[C@H](C)CO 62a_100000047025_100016084084 [0,0,0,0,1,0|2,1,0]=4 5060 B13R1.91 COc1ncccc1S[C@H](C)CO 62a_100016084084_100000047025 [0,0,0,0,1,0|2,1,0]=4 5061 B13R1.91 CSc1ccccc1CC(=O)CO 1458a_100000210174_100000699184 [0,0,0,0,1,0|0,1,2]=4 5062 B13R1.91 CSc1ccccc1NC(C)CO 34a_100000211160_100012180447 [0,0,0,0,1,0|2,1,0]=4 5063 B13R1.91 CSc1ccccc1OC(C)CO 34a_100011216402_100012180447 [0,0,0,0,1,0|1,1,0]=3 5064 B13R1.91 CSc1ccccc1SC(C)CO 62a_100012180447_100011217816 [0,0,0,0,1,0|1,2,0]=4 5065 B13R1.91 CSc1ccccc1S[C@H](C)CO 62a_100011217816_100016084084 [0,0,0,0,1,0|1,2,0]=4 5066 B13R1.91 CSc1ccccc1S[C@H](C)CO 62a_100016084084_100011217816 [0,0,0,0,1,0|1,2,0]=4 5067 B13R1.613 CCc1ccsc1SCC(O)CO 62a_100011219619_200009875468 [0,0,0,0,1,0|2,1,0]=4 5068 B13R1.613 CCc1ccsc1SCC(O)CO 62a_200009875468_100011219619 [0,0,0,0,1,0|2,1,0]=4 5069 B13R1.613 CCc1ccsc1SC[C@@H](O)CO 62a_100009815848_200009875468 [0,0,0,0,1,0|2,1,0]=4 5070 B13R1.613 CCc1ccsc1SC[C@@H](O)CO 62a_200009875468_100009815848 [0,0,0,0,1,0|2,1,0]=4 5071 B13R1.613 CCc1cscc1SCC(O)CO 62a_100011068457_100011219619 [0,0,0,0,1,0|2,1,0]=4 5072 B13R1.613 CCc1cscc1SCC(O)CO 62a_100011219619_100011068457 [0,0,0,0,1,0|2,1,0]=4 5073 B13R1.613 CCc1cscc1SC[C@@H](O)CO 62a_100009815848_100011068457 [0,0,0,0,1,0|2,1,0]=4 5074 B13R1.613 CCc1cscc1SC[C@@H](O)CO 62a_100011068457_100009815848 [0,0,0,0,1,0|2,1,0]=4 5075 B13R1.613 CCn1nccc1OCC(O)CO 34a_100012181048_100011219619 [0,0,0,0,1,0|3,0,0]=4 5076 B13R1.613 CCn1nccc1OC[C@@H](O)CO 34a_100012181048_100009815848 [0,0,0,0,1,0|3,0,0]=4 5077 B13R1.613 COc1[nH]ncc1SCC(O)CO 62a_100010349828_100011219619 [0,0,0,0,1,0|2,1,0]=4 5078 B13R1.613 COc1[nH]ncc1SC[C@@H](O)CO 62a_100010349828_100009815848 [0,0,0,0,1,0|2,1,0]=4 5079 B13R1.613 COc1n[nH]cc1SCC(O)CO 62a_100011219619_100010982843 [0,0,0,0,1,0|2,1,0]=4 5080 B13R1.613 COc1n[nH]cc1SC[C@@H](O)CO 62a_100009815848_100010982843 [0,0,0,0,1,0|2,1,0]=4 5081 B13R1.613 CSc1sccc1SCC(O)CO 62a_100011219619_200010341309 [0,0,0,0,1,0|1,2,0]=4 5082 B13R1.613 CSc1sccc1SCC(O)CO 62a_200010341309_100011219619 [0,0,0,0,1,0|1,2,0]=4 5083 B13R1.613 CSc1sccc1SC[C@@H](O)CO 62a_100009815848_200010341309 [0,0,0,0,1,0|1,2,0]=4 5084 B13R1.613 CSc1sccc1SC[C@@H](O)CO 62a_200010341309_100009815848 [0,0,0,0,1,0|1,2,0]=4 5085 B15R1.85 C#Cc1ccccc1CNCC(O)CO 34a_100020634229_100011219619 [0,0,0,0,0,1|2,0,1]=4 5086 B15R1.85 C#Cc1ccccc1CNC[C@@H](O)CO 34a_100020634229_100009815848 [0,0,0,0,0,1|2,0,1]=4 5087 B15R1.85 C#Cc1ccccc1COCC(O)CC 34a_100000054652_100011218378 [0,0,0,0,0,1|2,0,1]=4 5088 B15R1.85 C#Cc1ccccc1COCC(O)CC 7a_100000054652_100011218378 [0,0,0,0,0,1|2,0,1]=4 5089 B15R1.85 C#Cc1ccccc1COCC(O)CO 34a_100000054652_100011219619 [0,0,0,0,0,1|1,0,1]=3 5090 B15R1.85 C#Cc1ccccc1COCC(O)CO 7a_100000054652_100011219619 [0,0,0,0,0,1|1,0,1]=3 5091 B15R1.85 C#Cc1ccccc1COC[C@@H](C)CO 34a_100000054652_100000059175 [0,0,0,0,0,1|2,0,1]=4 5092 B15R1.85 C#Cc1ccccc1COC[C@@H](C)CO 7a_100000054652_100000059175 [0,0,0,0,0,1|2,0,1]=4 5093 B15R1.85 C#Cc1ccccc1COC[C@@H](O)CF 34a_100000054652_100015614560 [0,0,0,0,0,1|2,0,1]=4 5094 B15R1.85 C#Cc1ccccc1COC[C@@H](O)CF 7a_100000054652_100015614560 [0,0,0,0,0,1|2,0,1]=4 5095 B15R1.85 C#Cc1ccccc1COC[C@@H](O)CO 34a_100000054652_100009815848 [0,0,0,0,0,1|1,0,1]=3 5096 B15R1.85 C#Cc1ccccc1COC[C@@H](O)CO 7a_100000054652_100009815848 [0,0,0,0,0,1|1,0,1]=3 5097 B15R1.85 C=CC(C)COCc1ccccc1OC 34a_100011215527_100000210004 [0,0,0,0,0,1|2,0,1]=4 5098 B15R1.85 C=CC(C)COCc1ccccc1OC 7a_100011215527_100000210004 [0,0,0,0,0,1|2,0,1]=4 5099 B15R1.85 C=CC(O)CNCc1ccccc1OC 34a_100000188900_100000730141 [0,0,0,0,0,1|2,0,1]=4 5100 B15R1.85 C=CC(O)COCc1ccccc1CC 34a_100011663872_100000730141 [0,0,0,0,0,1|2,0,1]=4 5101 B15R1.85 C=CC(O)COCc1ccccc1CC 7a_100011663872_100000730141 [0,0,0,0,0,1|2,0,1]=4 5102 B15R1.85 C=CC(O)COCc1ccccc1OC 34a_100000211301_100000730141 [0,0,0,0,0,1|1,0,1]=3 5103 B15R1.85 C=CC(O)COCc1ccccc1SC 34a_100000699167_100000730141 [0,0,0,0,0,1|1,1,1]=4 5104 B15R1.85 C=CC(O)COCc1cccnc1OC 34a_100000717863_100000730141 [0,0,0,0,0,1|2,0,1]=4 5105 B15R1.85 C=CC(O)COCc1ncccc1OC 34a_100011998681_100000730141 [0,0,0,0,0,1|2,0,1]=4 5106 B15R1.85 C=CC(O)CSCc1ccccc1OC 62a_100000210004_100000730141 [0,0,0,0,0,1|1,1,1]=4 5107 B15R1.85 C=CC(O)CSCc1ccccc1OC 62a_100000730141_100000210004 [0,0,0,0,0,1|1,1,1]=4 5108 B15R1.85 C=C[C@H](N)COCc1ccccc1OC 34a_100016989147_100000210004 [0,0,0,0,0,1|2,0,1]=4 5109 B15R1.85 C=Cc1ccccc1COCC(O)CC 34a_200010883148_100011218378 [0,0,0,0,0,1|2,0,1]=4 5110 B15R1.85 C=Cc1ccccc1COCC(O)CC 7a_200010883148_100011218378 [0,0,0,0,0,1|2,0,1]=4 5111 B15R1.85 C=Cc1ccccc1COCC(O)CO 34a_200010883148_100011219619 [0,0,0,0,0,1|1,0,1]=3 5112 B15R1.85 C=Cc1ccccc1COCC(O)CO 7a_200010883148_100011219619 [0,0,0,0,0,1|1,0,1]=3 5113 B15R1.85 C=Cc1ccccc1COC[C@@H](C)CO 34a_200010883148_100000059175 [0,0,0,0,0,1|2,0,1]=4 5114 B15R1.85 C=Cc1ccccc1COC[C@@H](C)CO 7a_200010883148_100000059175 [0,0,0,0,0,1|2,0,1]=4 5115 B15R1.85 C=Cc1ccccc1COC[C@@H](O)CF 34a_200010883148_100015614560 [0,0,0,0,0,1|2,0,1]=4 5116 B15R1.85 C=Cc1ccccc1COC[C@@H](O)CF 7a_200010883148_100015614560 [0,0,0,0,0,1|2,0,1]=4 5117 B15R1.85 C=Cc1ccccc1COC[C@@H](O)CO 34a_200010883148_100009815848 [0,0,0,0,0,1|1,0,1]=3 5118 B15R1.85 C=Cc1ccccc1COC[C@@H](O)CO 7a_200010883148_100009815848 [0,0,0,0,0,1|1,0,1]=3 5119 B15R1.85 CCC(=O)CCOc1ccccc1OC 1458a_100000182669_100000210202 [0,0,0,0,0,1|1,0,2]=4 5120 B15R1.85 CCC(=O)CCOc1ccccc1OC 1458a_100000210414_100000188471 [0,0,0,0,0,1|1,0,2]=4 5121 B15R1.85 CCC(=O)COCc1ccccc1OC 1458a_100012176948_100000210202 [0,0,0,0,0,1|1,0,2]=4 5122 B15R1.85 CCC(=O)COCc1ccccc1OC 34a_100000725409_100000210004 [0,0,0,0,0,1|1,0,2]=4 5123 B15R1.85 CCC(C)CNCc1ccccc1OC 207a_100020588543_100000169842 [0,0,0,0,0,1|3,0,0]=4 5124 B15R1.85 CCC(C)CNCc1ccccc1OC 2230a_100020588543_100000210004 [0,0,0,0,0,1|3,0,0]=4 5125 B15R1.85 CCC(C)CNCc1ccccc1OC 270004a_100000188900_100000243153 [0,0,0,0,0,1|3,0,0]=4 5126 B15R1.85 CCC(C)CNCc1ccccc1OC 270004a_100020588543_100000169842 [0,0,0,0,0,1|3,0,0]=4 5127 B15R1.85 CCC(C)CNCc1ccccc1OC 34a_100000188900_100000748023 [0,0,0,0,0,1|3,0,0]=4 5128 B15R1.85 CCC(C)COCc1ccccc1OC 34a_100000211301_100000748023 [0,0,0,0,0,1|2,0,0]=3 5129 B15R1.85 CCC(C)COCc1ccccc1SC 34a_100000699167_100000748023 [0,0,0,0,0,1|2,1,0]=4 5130 B15R1.85 CCC(C)COCc1cccnc1OC 34a_100000717863_100000748023 [0,0,0,0,0,1|3,0,0]=4 5131 B15R1.85 CCC(C)COCc1ncccc1OC 34a_100011998681_100000748023 [0,0,0,0,0,1|3,0,0]=4 5132 B15R1.85 CCC(C)CSCc1ccccc1OC 62a_100000210004_100000748023 [0,0,0,0,0,1|2,1,0]=4 5133 B15R1.85 CCC(C)CSCc1ccccc1OC 62a_100000748023_100000210004 [0,0,0,0,0,1|2,1,0]=4 5134 B15R1.85 CCC(C)NCCc1ccccc1OC 2230a_100000209981_100011713687 [0,0,0,0,0,1|3,0,0]=4 5135 B15R1.85 CCC(C)NCCc1ccccc1OC 2230a_100000211851_100000758301 [0,0,0,0,0,1|3,0,0]=4 5136 B15R1.85 CCC(C)NCCc1ccccc1OC 270004a_100000209981_100011713418 [0,0,0,0,0,1|3,0,0]=4 5137 B15R1.85 CCC(C)NCCc1ccccc1OC 34a_100000211851_100011215416 [0,0,0,0,0,1|3,0,0]=4 5138 B15R1.85 CCC(C)OCCc1ccccc1OC 34a_100011218620_100011215416 [0,0,0,0,0,1|3,0,0]=4 5139 B15R1.85 CCC(C)OCCc1ccccc1OC 7a_100000210228_100011713687 [0,0,0,0,0,1|3,0,0]=4 5140 B15R1.85 CCC(C)OCCc1ccccc1OC 7a_100011218620_100000758301 [0,0,0,0,0,1|3,0,0]=4 5141 B15R1.85 CCC(C)SCCc1ccccc1OC 62a_100000758301_100011713687 [0,0,0,0,0,1|3,0,0]=4 5142 B15R1.85 CCC(C)SCCc1ccccc1OC 62a_100011713687_100000758301 [0,0,0,0,0,1|3,0,0]=4 5143 B15R1.85 CCC(O)CNCc1ccccc1OC 207a_100011218483_100000169842 [0,0,0,0,0,1|2,0,0]=3 5144 B15R1.85 CCC(O)CNCc1ccccc1OC 2230a_100011218483_100000210004 [0,0,0,0,0,1|2,0,0]=3 5145 B15R1.85 CCC(O)CNCc1ccccc1OC 270004a_100011218483_100000169842 [0,0,0,0,0,1|2,0,0]=3 5146 B15R1.85 CCC(O)CNCc1ccccc1OC 34a_100000188900_100011218378 [0,0,0,0,0,1|2,0,0]=3 5147 B15R1.85 CCC(O)CNCc1ccccc1SC 207a_100011218483_100011217347 [0,0,0,0,0,1|2,1,0]=4 5148 B15R1.85 CCC(O)CNCc1ccccc1SC 2230a_100011218483_100000699184 [0,0,0,0,0,1|2,1,0]=4 5149 B15R1.85 CCC(O)CNCc1ccccc1SC 270004a_100011218483_100011217347 [0,0,0,0,0,1|2,1,0]=4 5150 B15R1.85 CCC(O)CNCc1ccccc1SC 34a_102495365025_100011218378 [0,0,0,0,0,1|2,1,0]=4 5151 B15R1.85 CCC(O)CNCc1cccnc1OC 207a_100011218483_100011290804 [0,0,0,0,0,1|3,0,0]=4 5152 B15R1.85 CCC(O)CNCc1cccnc1OC 2230a_100011218483_100020631285 [0,0,0,0,0,1|3,0,0]=4 5153 B15R1.85 CCC(O)CNCc1cccnc1OC 270004a_100011218483_100011290804 [0,0,0,0,0,1|3,0,0]=4 5154 B15R1.85 CCC(O)CNCc1ccncc1OC 207a_100011218483_100011361505 [0,0,0,0,0,1|3,0,0]=4 5155 B15R1.85 CCC(O)CNCc1ccncc1OC 2230a_100011218483_100020635607 [0,0,0,0,0,1|3,0,0]=4 5156 B15R1.85 CCC(O)CNCc1ccncc1OC 270004a_100011218483_100011361505 [0,0,0,0,0,1|3,0,0]=4 5157 B15R1.85 CCC(O)CNCc1cnccc1OC 207a_100011218483_200011997045 [0,0,0,0,0,1|3,0,0]=4 5158 B15R1.85 CCC(O)CNCc1cnccc1OC 270004a_100011218483_200011997045 [0,0,0,0,0,1|3,0,0]=4 5159 B15R1.85 CCC(O)CNCc1ncccc1OC 207a_100011218483_100011912573 [0,0,0,0,0,1|3,0,0]=4 5160 B15R1.85 CCC(O)CNCc1ncccc1OC 270004a_100011218483_100011912573 [0,0,0,0,0,1|3,0,0]=4 5161 B15R1.85 CCC(O)COCc1ccccc1C#N 34a_200011269968_100011218378 [0,0,0,0,0,1|3,0,0]=4 5162 B15R1.85 CCC(O)COCc1ccccc1C#N 7a_200011269968_100011218378 [0,0,0,0,0,1|3,0,0]=4 5163 B15R1.85 CCC(O)COCc1ccccc1CBr 34a_100009816955_100011218378 [0,0,0,0,0,1|3,0,0]=4 5164 B15R1.85 CCC(O)COCc1ccccc1CBr 7a_100009816955_100011218378 [0,0,0,0,0,1|3,0,0]=4 5165 B15R1.85 CCC(O)COCc1ccccc1CN 34a_100000743596_100011218378 [0,0,0,0,0,1|3,0,0]=4 5166 B15R1.85 CCC(O)COCc1ccccc1OC 34a_100000211301_100011218378 [0,0,0,0,0,1|1,0,0]=2 5167 B15R1.85 CCC(O)COCc1ccccc1SC 34a_100000699167_100011218378 [0,0,0,0,0,1|1,1,0]=3 5168 B15R1.85 CCC(O)COCc1cccnc1OC 34a_100000717863_100011218378 [0,0,0,0,0,1|2,0,0]=3 5169 B15R1.85 CCC(O)COCc1ncccc1OC 34a_100011998681_100011218378 [0,0,0,0,0,1|2,0,0]=3 5170 B15R1.85 CCC(O)CSCc1ccccc1OC 62a_100000210004_100011218378 [0,0,0,0,0,1|1,1,0]=3 5171 B15R1.85 CCC(O)CSCc1ccccc1OC 62a_100011218378_100000210004 [0,0,0,0,0,1|1,1,0]=3 5172 B15R1.85 CCC(O)CSCc1ccccc1SC 62a_100000699184_100011218378 [0,0,0,0,0,1|1,2,0]=4 5173 B15R1.85 CCC(O)CSCc1ccccc1SC 62a_100011218378_100000699184 [0,0,0,0,0,1|1,2,0]=4 5174 B15R1.85 CCC(O)CSCc1cccnc1OC 62a_100011218378_100020631285 [0,0,0,0,0,1|2,1,0]=4 5175 B15R1.85 CCC(O)CSCc1cccnc1OC 62a_100020631285_100011218378 [0,0,0,0,0,1|2,1,0]=4 5176 B15R1.85 CCC(O)CSCc1ccncc1OC 62a_100011218378_100020635607 [0,0,0,0,0,1|2,1,0]=4 5177 B15R1.85 CCC(O)CSCc1ccncc1OC 62a_100020635607_100011218378 [0,0,0,0,0,1|2,1,0]=4 5178 B15R1.85 CCN(C)CCOc1ccccc1OC 2230a_100000225621_100000188471 [0,0,0,0,0,1|3,0,0]=4 5179 B15R1.85 CCN(C)CCOc1ccccc1OC 2230a_100000228778_100000210202 [0,0,0,0,0,1|3,0,0]=4 5180 B15R1.85 CCN(C)CCOc1ccccc1OC 2230a_100025778949_200000210301 [0,0,0,0,0,1|3,0,0]=4 5181 B15R1.85 CCN(C)CCOc1ccccc1OC 269982a_100000225621_100000188471 [0,0,0,0,0,1|3,0,0]=4 5182 B15R1.85 CCN(C)CCOc1ccccc1OC 269982a_100000228778_100000204670 [0,0,0,0,0,1|3,0,0]=4 5183 B15R1.85 CCN(C)CCOc1ccccc1OC 269982a_100025778949_200000210301 [0,0,0,0,0,1|3,0,0]=4 5184 B15R1.85 CCN([13CH3])CCOc1ccccc1OC 2230a_100025778949_200025704644 [0,0,0,0,0,1|3,0,0]=4 5185 B15R1.85 CCN([13CH3])CCOc1ccccc1OC 269982a_100025778949_200025704644 [0,0,0,0,0,1|3,0,0]=4 5186 B15R1.85 CC[C@H](C)CNCc1ccccc1OC 34a_100000188900_100009816398 [0,0,0,0,0,1|3,0,0]=4 5187 B15R1.85 CC[C@H](C)COCc1ccccc1OC 34a_100000211301_100009816398 [0,0,0,0,0,1|2,0,0]=3 5188 B15R1.85 CC[C@H](C)COCc1ccccc1OC 7a_100009816381_100000210004 [0,0,0,0,0,1|2,0,0]=3 5189 B15R1.85 CC[C@H](C)COCc1ccccc1SC 34a_100000699167_100009816398 [0,0,0,0,0,1|2,1,0]=4 5190 B15R1.85 CC[C@H](C)COCc1ccccc1SC 7a_100009816381_100000699184 [0,0,0,0,0,1|2,1,0]=4 5191 B15R1.85 CC[C@H](C)COCc1cccnc1OC 34a_100000717863_100009816398 [0,0,0,0,0,1|3,0,0]=4 5192 B15R1.85 CC[C@H](C)COCc1cccnc1OC 7a_100009816381_100020631285 [0,0,0,0,0,1|3,0,0]=4 5193 B15R1.85 CC[C@H](C)COCc1ccncc1OC 7a_100009816381_100020635607 [0,0,0,0,0,1|3,0,0]=4 5194 B15R1.85 CC[C@H](C)COCc1ncccc1OC 34a_100011998681_100009816398 [0,0,0,0,0,1|3,0,0]=4 5195 B15R1.85 CC[C@H](C)CSCc1ccccc1OC 62a_100000210004_100009816398 [0,0,0,0,0,1|2,1,0]=4 5196 B15R1.85 CC[C@H](C)CSCc1ccccc1OC 62a_100009816398_100000210004 [0,0,0,0,0,1|2,1,0]=4 5197 B15R1.85 CCc1ccccc1CCNC(C)CO 2230a_100011663701_100012180447 [0,0,0,0,0,1|3,0,0]=4 5198 B15R1.85 CCc1ccccc1CCNC(C)CO 34a_100011663701_100012180447 [0,0,0,0,0,1|3,0,0]=4 5199 B15R1.85 CCc1ccccc1CNCC(C)CO 207a_100000744482_100011219594 [0,0,0,0,0,1|3,0,0]=4 5200 B15R1.85 CCc1ccccc1CNCC(O)CC 207a_100011218483_100011219594 [0,0,0,0,0,1|3,0,0]=4 5201 B15R1.85 CCc1ccccc1CNCC(O)CC 270004a_100011218483_100011219594 [0,0,0,0,0,1|3,0,0]=4 5202 B15R1.85 CCc1ccccc1CNC[C@@H](F)CO 207a_100015665980_100011219594 [0,0,0,0,0,1|3,0,0]=4 5203 B15R1.85 CCc1ccccc1CNC[C@@H](F)CO 270004a_100015665980_100011219594 [0,0,0,0,0,1|3,0,0]=4 5204 B15R1.85 CCc1ccccc1CNC[C@H](O)CO 207a_100020644852_100011219594 [0,0,0,0,0,1|2,0,0]=3 5205 B15R1.85 CCc1ccccc1COCC(C)CC 34a_100011663872_100000748023 [0,0,0,0,0,1|3,0,0]=4 5206 B15R1.85 CCc1ccccc1COCC(C)CC 7a_100011663872_100000748023 [0,0,0,0,0,1|3,0,0]=4 5207 B15R1.85 CCc1ccccc1COCC(O)CC 34a_100011663872_100011218378 [0,0,0,0,0,1|2,0,0]=3 5208 B15R1.85 CCc1ccccc1COCC(O)CC 7a_100011663872_100011218378 [0,0,0,0,0,1|2,0,0]=3 5209 B15R1.85 CCc1ccccc1COCC(O)CO 34a_100011663872_100011219619 [0,0,0,0,0,1|1,0,0]=2 5210 B15R1.85 CCc1ccccc1COCC(O)CO 7a_100011663872_100011219619 [0,0,0,0,0,1|1,0,0]=2 5211 B15R1.85 CCc1ccccc1COC[C@@H](C)CC 34a_100011663872_100009816398 [0,0,0,0,0,1|3,0,0]=4 5212 B15R1.85 CCc1ccccc1COC[C@@H](C)CC 7a_100011663872_100009816398 [0,0,0,0,0,1|3,0,0]=4 5213 B15R1.85 CCc1ccccc1COC[C@@H](C)CO 34a_100011663872_100000059175 [0,0,0,0,0,1|2,0,0]=3 5214 B15R1.85 CCc1ccccc1COC[C@@H](C)CO 7a_100011663872_100000059175 [0,0,0,0,0,1|2,0,0]=3 5215 B15R1.85 CCc1ccccc1COC[C@@H](O)CF 34a_100011663872_100015614560 [0,0,0,0,0,1|2,0,0]=3 5216 B15R1.85 CCc1ccccc1COC[C@@H](O)CF 7a_100011663872_100015614560 [0,0,0,0,0,1|2,0,0]=3 5217 B15R1.85 CCc1ccccc1COC[C@@H](O)CO 34a_100011663872_100009815848 [0,0,0,0,0,1|1,0,0]=2 5218 B15R1.85 CCc1ccccc1COC[C@@H](O)CO 7a_100011663872_100009815848 [0,0,0,0,0,1|1,0,0]=2 5219 B15R1.85 CCc1ccccc1NN=CC(O)CO 4a_100000737054_100000033539 [0,0,0,0,0,1|2,0,1]=4 5220 B15R1.85 COc1ccccc1CCNC(=O)CO 240690a_100000211851_100000210174 [0,0,0,0,0,1|1,0,2]=4 5221 B15R1.85 COc1ccccc1CCNC(=O)CO 527a_100000211851_100000210174 [0,0,0,0,0,1|1,0,2]=4 5222 B15R1.85 COc1ccccc1CCNC(C)CO 2230a_100000211851_100012180447 [0,0,0,0,0,1|2,0,0]=3 5223 B15R1.85 COc1ccccc1CCNC(C)CO 34a_100000211851_100012180447 [0,0,0,0,0,1|2,0,0]=3 5224 B15R1.85 COc1ccccc1CCN[C@H](C)CF 270004a_100102880703_100011713418 [0,0,0,0,0,1|3,0,0]=4 5225 B15R1.85 COc1ccccc1CCN[C@H](C)CO 2230a_100000737577_100011713687 [0,0,0,0,0,1|2,0,0]=3 5226 B15R1.85 COc1ccccc1CCN[C@H](C)CO 270004a_100000737577_100011713418 [0,0,0,0,0,1|2,0,0]=3 5227 B15R1.85 COc1ccccc1CCOC(C)CF 34a_100016041109_100011713687 [0,0,0,0,0,1|3,0,0]=4 5228 B15R1.85 COc1ccccc1CCOC(C)CF 7a_100016041109_100011713687 [0,0,0,0,0,1|3,0,0]=4 5229 B15R1.85 COc1ccccc1CCOC(C)CN 34a_100000210904_100011713687 [0,0,0,0,0,1|3,0,0]=4 5230 B15R1.85 COc1ccccc1CCOC(C)CO 34a_100011218620_100012180447 [0,0,0,0,0,1|2,0,0]=3 5231 B15R1.85 COc1ccccc1CCOC(C)CO 7a_100011218620_100012180447 [0,0,0,0,0,1|2,0,0]=3 5232 B15R1.85 COc1ccccc1CCSC(C)CO 62a_100012180447_100011713687 [0,0,0,0,0,1|2,0,0]=3 5233 B15R1.85 COc1ccccc1CCS[C@H](C)CO 62a_100011713687_100016084084 [0,0,0,0,0,1|2,0,0]=3 5234 B15R1.85 COc1ccccc1CCS[C@H](C)CO 62a_100016084084_100011713687 [0,0,0,0,0,1|2,0,0]=3 5235 B15R1.85 COc1ccccc1CNCC(C)CO 207a_100000744482_100000169842 [0,0,0,0,0,1|2,0,0]=3 5236 B15R1.85 COc1ccccc1CNCC(C)CO 34a_100000744482_100000210004 [0,0,0,0,0,1|2,0,0]=3 5237 B15R1.85 COc1ccccc1CNCC(O)CO 34a_100000188900_100011219619 [0,0,0,0,0,1|1,0,0]=2 5238 B15R1.85 COc1ccccc1CNC[C@@H](C)CO 34a_100000188900_100000059175 [0,0,0,0,0,1|2,0,0]=3 5239 B15R1.85 COc1ccccc1CNC[C@@H](F)CO 207a_100015665980_100000169842 [0,0,0,0,0,1|2,0,0]=3 5240 B15R1.85 COc1ccccc1CNC[C@@H](F)CO 270004a_100015665980_100000169842 [0,0,0,0,0,1|2,0,0]=3 5241 B15R1.85 COc1ccccc1CNC[C@@H](F)CO 34a_100015665980_100000210004 [0,0,0,0,0,1|2,0,0]=3 5242 B15R1.85 COc1ccccc1CNC[C@@H](O)CF 34a_100000188900_100015614560 [0,0,0,0,0,1|2,0,0]=3 5243 B15R1.85 COc1ccccc1CNC[C@@H](O)CO 34a_100000188900_100009815848 [0,0,0,0,0,1|1,0,0]=2 5244 B15R1.85 COc1ccccc1CNC[C@H](O)CO 207a_100020644852_100000169842 [0,0,0,0,0,1|1,0,0]=2 5245 B15R1.85 COc1ccccc1CNC[C@H](O)CO 2230a_100020644852_100000210004 [0,0,0,0,0,1|1,0,0]=2 5246 B15R1.85 COc1ccccc1COCC(=O)CF 1458a_100012176948_100015361967 [0,0,0,0,0,1|1,0,2]=4 5247 B15R1.85 COc1ccccc1COCC(C)CN 34a_100000744482_100000210004 [0,0,0,0,0,1|2,0,0]=3 5248 B15R1.85 COc1ccccc1COCC(C)OC 34a_100000690652_100000210004 [0,0,0,0,0,1|3,0,0]=4 5249 B15R1.85 COc1ccccc1COCC(Cl)CCl 34a_100000033668_100000210004 [0,0,0,0,0,1|2,0,0]=3 5250 B15R1.85 COc1ccccc1COCC(O)CO 34a_100000211301_100011219619 [0,0,0,0,0,1|0,0,0]=1 5251 B15R1.85 COc1ccccc1COC[C@@H](C)CO 34a_100000211301_100000059175 [0,0,0,0,0,1|1,0,0]=2 5252 B15R1.85 COc1ccccc1COC[C@@H](O)CF 34a_100000211301_100015614560 [0,0,0,0,0,1|1,0,0]=2 5253 B15R1.85 COc1ccccc1COC[C@@H](O)CO 34a_100000211301_100009815848 [0,0,0,0,0,1|0,0,0]=1 5254 B15R1.85 COc1ccccc1COC[C@H](F)CN 34a_100015665980_100000210004 [0,0,0,0,0,1|2,0,0]=3 5255 B15R1.85 COc1ccccc1CSCC(O)CO 62a_100000210004_100011219619 [0,0,0,0,0,1|0,1,0]=2 5256 B15R1.85 COc1ccccc1CSCC(O)CO 62a_100011219619_100000210004 [0,0,0,0,0,1|0,1,0]=2 5257 B15R1.85 COc1ccccc1CSC[C@@H](C)CO 62a_100000059175_100000210004 [0,0,0,0,0,1|1,1,0]=3 5258 B15R1.85 COc1ccccc1CSC[C@@H](C)CO 62a_100000210004_100000059175 [0,0,0,0,0,1|1,1,0]=3 5259 B15R1.85 COc1ccccc1CSC[C@@H](O)CF 62a_100000210004_100015614560 [0,0,0,0,0,1|1,1,0]=3 5260 B15R1.85 COc1ccccc1CSC[C@@H](O)CF 62a_100015614560_100000210004 [0,0,0,0,0,1|1,1,0]=3 5261 B15R1.85 COc1ccccc1CSC[C@@H](O)CO 62a_100000210004_100009815848 [0,0,0,0,0,1|0,1,0]=2 5262 B15R1.85 COc1ccccc1CSC[C@@H](O)CO 62a_100009815848_100000210004 [0,0,0,0,0,1|0,1,0]=2 5263 B15R1.85 COc1ccccc1NN=CC(O)CO 4a_100000751209_100000033539 [0,0,0,0,0,1|1,0,1]=3 5264 B15R1.85 COc1ccccc1OCCC(=O)CF 1458a_100000182669_100015361967 [0,0,0,0,0,1|1,0,2]=4 5265 B15R1.85 COc1ccccc1OCCC(=O)CO 1458a_100000210174_100000188471 [0,0,0,0,0,1|0,0,2]=3 5266 B15R1.85 COc1ccccc1OCCN(C)CF 269982a_100000228778_100015361967 [0,0,0,0,0,1|3,0,0]=4 5267 B15R1.85 COc1cccnc1CNCC(C)CO 207a_100000744482_100011912573 [0,0,0,0,0,1|3,0,0]=4 5268 B15R1.85 COc1cccnc1CNC[C@@H](F)CO 207a_100015665980_100011912573 [0,0,0,0,0,1|3,0,0]=4 5269 B15R1.85 COc1cccnc1CNC[C@@H](F)CO 270004a_100015665980_100011912573 [0,0,0,0,0,1|3,0,0]=4 5270 B15R1.85 COc1cccnc1CNC[C@H](O)CO 207a_100020644852_100011912573 [0,0,0,0,0,1|2,0,0]=3 5271 B15R1.85 COc1cccnc1COCC(O)CO 34a_100011998681_100011219619 [0,0,0,0,0,1|1,0,0]=2 5272 B15R1.85 COc1cccnc1COC[C@@H](C)CO 34a_100011998681_100000059175 [0,0,0,0,0,1|2,0,0]=3 5273 B15R1.85 COc1cccnc1COC[C@@H](O)CF 34a_100011998681_100015614560 [0,0,0,0,0,1|2,0,0]=3 5274 B15R1.85 COc1cccnc1COC[C@@H](O)CO 34a_100011998681_100009815848 [0,0,0,0,0,1|1,0,0]=2 5275 B15R1.85 COc1cccnc1NN=CC(O)CO 4a_100012020716_100000033539 [0,0,0,0,0,1|2,0,1]=4 5276 B15R1.85 COc1ccncc1CNCC(C)CO 207a_100000744482_200011997045 [0,0,0,0,0,1|3,0,0]=4 5277 B15R1.85 COc1ccncc1CNC[C@@H](F)CO 207a_100015665980_200011997045 [0,0,0,0,0,1|3,0,0]=4 5278 B15R1.85 COc1ccncc1CNC[C@@H](F)CO 270004a_100015665980_200011997045 [0,0,0,0,0,1|3,0,0]=4 5279 B15R1.85 COc1ccncc1CNC[C@H](O)CO 207a_100020644852_200011997045 [0,0,0,0,0,1|2,0,0]=3 5280 B15R1.85 COc1cnccc1CNCC(C)CO 207a_100000744482_100011361505 [0,0,0,0,0,1|3,0,0]=4 5281 B15R1.85 COc1cnccc1CNC[C@@H](F)CO 207a_100015665980_100011361505 [0,0,0,0,0,1|3,0,0]=4 5282 B15R1.85 COc1cnccc1CNC[C@@H](F)CO 270004a_100015665980_100011361505 [0,0,0,0,0,1|3,0,0]=4 5283 B15R1.85 COc1cnccc1CNC[C@H](O)CO 207a_100020644852_100011361505 [0,0,0,0,0,1|2,0,0]=3 5284 B15R1.85 COc1cnccc1CNC[C@H](O)CO 2230a_100020644852_100020635607 [0,0,0,0,0,1|2,0,0]=3 5285 B15R1.85 COc1cnccc1CSCC(O)CO 62a_100011219619_100020635607 [0,0,0,0,0,1|1,1,0]=3 5286 B15R1.85 COc1cnccc1CSCC(O)CO 62a_100020635607_100011219619 [0,0,0,0,0,1|1,1,0]=3 5287 B15R1.85 COc1cnccc1CSC[C@@H](C)CO 62a_100000059175_100020635607 [0,0,0,0,0,1|2,1,0]=4 5288 B15R1.85 COc1cnccc1CSC[C@@H](C)CO 62a_100020635607_100000059175 [0,0,0,0,0,1|2,1,0]=4 5289 B15R1.85 COc1cnccc1CSC[C@@H](O)CF 62a_100015614560_100020635607 [0,0,0,0,0,1|2,1,0]=4 5290 B15R1.85 COc1cnccc1CSC[C@@H](O)CF 62a_100020635607_100015614560 [0,0,0,0,0,1|2,1,0]=4 5291 B15R1.85 COc1cnccc1CSC[C@@H](O)CO 62a_100009815848_100020635607 [0,0,0,0,0,1|1,1,0]=3 5292 B15R1.85 COc1cnccc1CSC[C@@H](O)CO 62a_100020635607_100009815848 [0,0,0,0,0,1|1,1,0]=3 5293 B15R1.85 COc1ncccc1CNCC(C)CO 207a_100000744482_100011290804 [0,0,0,0,0,1|3,0,0]=4 5294 B15R1.85 COc1ncccc1CNCC(C)CO 34a_100000744482_100020631285 [0,0,0,0,0,1|3,0,0]=4 5295 B15R1.85 COc1ncccc1CNC[C@@H](F)CO 207a_100015665980_100011290804 [0,0,0,0,0,1|3,0,0]=4 5296 B15R1.85 COc1ncccc1CNC[C@@H](F)CO 270004a_100015665980_100011290804 [0,0,0,0,0,1|3,0,0]=4 5297 B15R1.85 COc1ncccc1CNC[C@@H](F)CO 34a_100015665980_100020631285 [0,0,0,0,0,1|3,0,0]=4 5298 B15R1.85 COc1ncccc1CNC[C@H](O)CO 207a_100020644852_100011290804 [0,0,0,0,0,1|2,0,0]=3 5299 B15R1.85 COc1ncccc1CNC[C@H](O)CO 2230a_100020644852_100020631285 [0,0,0,0,0,1|2,0,0]=3 5300 B15R1.85 COc1ncccc1COCC(C)CN 34a_100000744482_100020631285 [0,0,0,0,0,1|3,0,0]=4 5301 B15R1.85 COc1ncccc1COCC(Cl)CCl 34a_100000033668_100020631285 [0,0,0,0,0,1|3,0,0]=4 5302 B15R1.85 COc1ncccc1COCC(O)CO 34a_100000717863_100011219619 [0,0,0,0,0,1|1,0,0]=2 5303 B15R1.85 COc1ncccc1COC[C@@H](C)CO 34a_100000717863_100000059175 [0,0,0,0,0,1|2,0,0]=3 5304 B15R1.85 COc1ncccc1COC[C@@H](O)CF 34a_100000717863_100015614560 [0,0,0,0,0,1|2,0,0]=3 5305 B15R1.85 COc1ncccc1COC[C@@H](O)CO 34a_100000717863_100009815848 [0,0,0,0,0,1|1,0,0]=2 5306 B15R1.85 COc1ncccc1COC[C@H](F)CN 34a_100015665980_100020631285 [0,0,0,0,0,1|3,0,0]=4 5307 B15R1.85 COc1ncccc1CSCC(O)CO 62a_100011219619_100020631285 [0,0,0,0,0,1|1,1,0]=3 5308 B15R1.85 COc1ncccc1CSCC(O)CO 62a_100020631285_100011219619 [0,0,0,0,0,1|1,1,0]=3 5309 B15R1.85 COc1ncccc1CSC[C@@H](C)CO 62a_100000059175_100020631285 [0,0,0,0,0,1|2,1,0]=4 5310 B15R1.85 COc1ncccc1CSC[C@@H](C)CO 62a_100020631285_100000059175 [0,0,0,0,0,1|2,1,0]=4 5311 B15R1.85 COc1ncccc1CSC[C@@H](O)CF 62a_100015614560_100020631285 [0,0,0,0,0,1|2,1,0]=4 5312 B15R1.85 COc1ncccc1CSC[C@@H](O)CF 62a_100020631285_100015614560 [0,0,0,0,0,1|2,1,0]=4 5313 B15R1.85 COc1ncccc1CSC[C@@H](O)CO 62a_100009815848_100020631285 [0,0,0,0,0,1|1,1,0]=3 5314 B15R1.85 COc1ncccc1CSC[C@@H](O)CO 62a_100020631285_100009815848 [0,0,0,0,0,1|1,1,0]=3 5315 B15R1.85 COc1ncccc1NN=CC(O)CO 4a_100159270702_100000033539 [0,0,0,0,0,1|2,0,1]=4 5316 B15R1.85 CSc1ccccc1CNCC(C)CO 207a_100000744482_100011217347 [0,0,0,0,0,1|2,1,0]=4 5317 B15R1.85 CSc1ccccc1CNCC(C)CO 34a_100000744482_100000699184 [0,0,0,0,0,1|2,1,0]=4 5318 B15R1.85 CSc1ccccc1CNCC(O)CO 34a_102495365025_100011219619 [0,0,0,0,0,1|1,1,0]=3 5319 B15R1.85 CSc1ccccc1CNC[C@@H](C)CO 34a_102495365025_100000059175 [0,0,0,0,0,1|2,1,0]=4 5320 B15R1.85 CSc1ccccc1CNC[C@@H](F)CO 207a_100015665980_100011217347 [0,0,0,0,0,1|2,1,0]=4 5321 B15R1.85 CSc1ccccc1CNC[C@@H](F)CO 270004a_100015665980_100011217347 [0,0,0,0,0,1|2,1,0]=4 5322 B15R1.85 CSc1ccccc1CNC[C@@H](F)CO 34a_100015665980_100000699184 [0,0,0,0,0,1|2,1,0]=4 5323 B15R1.85 CSc1ccccc1CNC[C@@H](O)CF 34a_102495365025_100015614560 [0,0,0,0,0,1|2,1,0]=4 5324 B15R1.85 CSc1ccccc1CNC[C@@H](O)CO 34a_102495365025_100009815848 [0,0,0,0,0,1|1,1,0]=3 5325 B15R1.85 CSc1ccccc1CNC[C@H](O)CO 207a_100020644852_100011217347 [0,0,0,0,0,1|1,1,0]=3 5326 B15R1.85 CSc1ccccc1CNC[C@H](O)CO 2230a_100020644852_100000699184 [0,0,0,0,0,1|1,1,0]=3 5327 B15R1.85 CSc1ccccc1COCC(C)CN 34a_100000744482_100000699184 [0,0,0,0,0,1|2,1,0]=4 5328 B15R1.85 CSc1ccccc1COCC(Cl)CCl 34a_100000033668_100000699184 [0,0,0,0,0,1|2,1,0]=4 5329 B15R1.85 CSc1ccccc1COCC(O)CO 34a_100000699167_100011219619 [0,0,0,0,0,1|0,1,0]=2 5330 B15R1.85 CSc1ccccc1COC[C@@H](C)CO 34a_100000699167_100000059175 [0,0,0,0,0,1|1,1,0]=3 5331 B15R1.85 CSc1ccccc1COC[C@@H](O)CF 34a_100000699167_100015614560 [0,0,0,0,0,1|1,1,0]=3 5332 B15R1.85 CSc1ccccc1COC[C@@H](O)CO 34a_100000699167_100009815848 [0,0,0,0,0,1|0,1,0]=2 5333 B15R1.85 CSc1ccccc1COC[C@H](F)CN 34a_100015665980_100000699184 [0,0,0,0,0,1|2,1,0]=4 5334 B15R1.85 CSc1ccccc1CSCC(O)CO 62a_100000699184_100011219619 [0,0,0,0,0,1|0,2,0]=3 5335 B15R1.85 CSc1ccccc1CSCC(O)CO 62a_100011219619_100000699184 [0,0,0,0,0,1|0,2,0]=3 5336 B15R1.85 CSc1ccccc1CSC[C@@H](C)CO 62a_100000059175_100000699184 [0,0,0,0,0,1|1,2,0]=4 5337 B15R1.85 CSc1ccccc1CSC[C@@H](C)CO 62a_100000699184_100000059175 [0,0,0,0,0,1|1,2,0]=4 5338 B15R1.85 CSc1ccccc1CSC[C@@H](O)CF 62a_100000699184_100015614560 [0,0,0,0,0,1|1,2,0]=4 5339 B15R1.85 CSc1ccccc1CSC[C@@H](O)CF 62a_100015614560_100000699184 [0,0,0,0,0,1|1,2,0]=4 5340 B15R1.85 CSc1ccccc1CSC[C@@H](O)CO 62a_100000699184_100009815848 [0,0,0,0,0,1|0,2,0]=3 5341 B15R1.85 CSc1ccccc1CSC[C@@H](O)CO 62a_100009815848_100000699184 [0,0,0,0,0,1|0,2,0]=3 5342 B15R1.85 C[C@@H](CO)COCc1ccccc1C#N 34a_200011269968_100000059175 [0,0,0,0,0,1|3,0,0]=4 5343 B15R1.85 C[C@@H](CO)COCc1ccccc1C#N 7a_200011269968_100000059175 [0,0,0,0,0,1|3,0,0]=4 5344 B15R1.85 C[C@@H](CO)COCc1ccccc1CBr 34a_100009816955_100000059175 [0,0,0,0,0,1|3,0,0]=4 5345 B15R1.85 C[C@@H](CO)COCc1ccccc1CBr 7a_100009816955_100000059175 [0,0,0,0,0,1|3,0,0]=4 5346 B15R1.85 C[C@@H](CO)COCc1ccccc1CN 34a_100000743596_100000059175 [0,0,0,0,0,1|3,0,0]=4 5347 B15R1.85 N#Cc1ccccc1CNCC(O)CO 34a_100016989011_100011219619 [0,0,0,0,0,1|3,0,0]=4 5348 B15R1.85 N#Cc1ccccc1CNC[C@@H](O)CO 34a_100016989011_100009815848 [0,0,0,0,0,1|3,0,0]=4 5349 B15R1.85 N#Cc1ccccc1CNC[C@H](O)CO 2230a_100020644852_100000181865 [0,0,0,0,0,1|3,0,0]=4 5350 B15R1.85 N#Cc1ccccc1COCC(O)CO 34a_200011269968_100011219619 [0,0,0,0,0,1|2,0,0]=3 5351 B15R1.85 N#Cc1ccccc1COCC(O)CO 7a_200011269968_100011219619 [0,0,0,0,0,1|2,0,0]=3 5352 B15R1.85 N#Cc1ccccc1COC[C@@H](O)CF 34a_200011269968_100015614560 [0,0,0,0,0,1|3,0,0]=4 5353 B15R1.85 N#Cc1ccccc1COC[C@@H](O)CF 7a_200011269968_100015614560 [0,0,0,0,0,1|3,0,0]=4 5354 B15R1.85 N#Cc1ccccc1COC[C@@H](O)CO 34a_200011269968_100009815848 [0,0,0,0,0,1|2,0,0]=3 5355 B15R1.85 N#Cc1ccccc1COC[C@@H](O)CO 7a_200011269968_100009815848 [0,0,0,0,0,1|2,0,0]=3 5356 B15R1.85 N#Cc1ccccc1CSCC(O)CO 62a_100000186380_100011219619 [0,0,0,0,0,1|2,1,0]=4 5357 B15R1.85 N#Cc1ccccc1CSCC(O)CO 62a_100011219619_100000181865 [0,0,0,0,0,1|2,1,0]=4 5358 B15R1.85 N#Cc1ccccc1CSC[C@@H](O)CO 62a_100000186380_100009815848 [0,0,0,0,0,1|2,1,0]=4 5359 B15R1.85 N#Cc1ccccc1CSC[C@@H](O)CO 62a_100009815848_100000181865 [0,0,0,0,0,1|2,1,0]=4 5360 B15R1.85 NCc1ccccc1COCC(O)CO 34a_100000743596_100011219619 [0,0,0,0,0,1|2,0,0]=3 5361 B15R1.85 NCc1ccccc1COC[C@@H](O)CF 34a_100000743596_100015614560 [0,0,0,0,0,1|3,0,0]=4 5362 B15R1.85 NCc1ccccc1COC[C@@H](O)CO 34a_100000743596_100009815848 [0,0,0,0,0,1|2,0,0]=3 5363 B15R1.85 O=Cc1ccccc1CNC[C@H](O)CO 2230a_100020644852_200009853537 [0,0,0,0,0,1|3,0,0]=4 5364 B15R1.85 O=Cc1ccccc1CSCC(O)CO 62a_100011219619_200009853537 [0,0,0,0,0,1|2,1,0]=4 5365 B15R1.85 O=Cc1ccccc1CSCC(O)CO 62a_200009853537_100011219619 [0,0,0,0,0,1|2,1,0]=4 5366 B15R1.85 O=Cc1ccccc1CSC[C@@H](O)CO 62a_100009815848_200009853537 [0,0,0,0,0,1|2,1,0]=4 5367 B15R1.85 O=Cc1ccccc1CSC[C@@H](O)CO 62a_200009853537_100009815848 [0,0,0,0,0,1|2,1,0]=4 5368 B15R1.85 OCC(O)COCc1ccccc1CBr 34a_100009816955_100011219619 [0,0,0,0,0,1|2,0,0]=3 5369 B15R1.85 OCC(O)COCc1ccccc1CBr 7a_100009816955_100011219619 [0,0,0,0,0,1|2,0,0]=3 5370 B15R1.85 OC[C@H](O)COCc1ccccc1CBr 34a_100009816955_100009815848 [0,0,0,0,0,1|2,0,0]=3 5371 B15R1.85 OC[C@H](O)COCc1ccccc1CBr 7a_100009816955_100009815848 [0,0,0,0,0,1|2,0,0]=3 5372 B15R1.85 OCc1ccccc1CNC[C@H](O)CO 2230a_100020644852_100009816955 [0,0,0,0,0,1|3,0,0]=4 5373 B15R1.85 OCc1ccccc1CSCC(O)CO 62a_100009816955_100011219619 [0,0,0,0,0,1|2,1,0]=4 5374 B15R1.85 OCc1ccccc1CSCC(O)CO 62a_100011219619_100009816955 [0,0,0,0,0,1|2,1,0]=4 5375 B15R1.85 OCc1ccccc1CSC[C@@H](O)CO 62a_100009815848_100009816955 [0,0,0,0,0,1|2,1,0]=4 5376 B15R1.85 OCc1ccccc1CSC[C@@H](O)CO 62a_100009816955_100009815848 [0,0,0,0,0,1|2,1,0]=4 5377 B15R1.85 O[C@@H](CF)COCc1ccccc1CBr 34a_100009816955_100015614560 [0,0,0,0,0,1|3,0,0]=4 5378 B15R1.85 O[C@@H](CF)COCc1ccccc1CBr 7a_100009816955_100015614560 [0,0,0,0,0,1|3,0,0]=4 5379 B12R1.121 C#CCOc1ccccc1OC 34a_100000210385_100000184674 [2,0,0,0,0,0|0,0,2]=4 5380 B12R1.121 C#Cc1ccccc1OCCC 34a_200011470546_100000210303 [2,0,0,0,0,0|1,0,1]=4 5381 B12R1.121 C#Cc1ccccc1OCCC 7a_200011470546_100000210303 [2,0,0,0,0,0|1,0,1]=4 5382 B12R1.121 C#Cc1ccccc1OCCO 34a_200011470546_100000211926 [2,0,0,0,0,0|1,0,1]=4 5383 B12R1.121 C#Cc1ccccc1OCCO 7a_200011470546_100000211926 [2,0,0,0,0,0|1,0,1]=4 5384 B12R1.121 C=CCOc1ccccc1OC 34a_100000210385_100015514636 [2,0,0,0,0,0|0,0,2]=4 5385 B12R1.121 C=CCOc1ccccc1OC 34a_200011262142_200000210301 [2,0,0,0,0,0|0,0,2]=4 5386 B12R1.121 C=CCOc1ccccc1OC 7a_200011262142_200000210301 [2,0,0,0,0,0|0,0,2]=4 5387 B12R1.121 C=CCOc1ccccc1O[13CH3] 34a_200011262142_200025704644 [2,0,0,0,0,0|0,0,2]=4 5388 B12R1.121 C=CCOc1ccccc1O[13CH3] 7a_200011262142_200025704644 [2,0,0,0,0,0|0,0,2]=4 5389 B12R1.121 C=Cc1ccccc1CCCO 271570a_100011290941_100000699526 [2,0,0,0,0,0|1,0,1]=4 5390 B12R1.121 C=Cc1ccccc1OCCC 271570a_100011290941_100000174042 [2,0,0,0,0,0|1,0,1]=4 5391 B12R1.121 C=Cc1ccccc1OCCO 271570a_100011290941_100000230753 [2,0,0,0,0,0|1,0,1]=4 5392 B12R1.121 CCCCc1ccccc1CC 271570a_100020621405_100011215823 [2,0,0,0,0,0|2,0,0]=4 5393 B12R1.121 CCCCc1ccccc1NC 2230a_200011217597_200000210301 [2,0,0,0,0,0|2,0,0]=4 5394 B12R1.121 CCCCc1ccccc1NC 271570a_100020621405_100020606079 [2,0,0,0,0,0|2,0,0]=4 5395 B12R1.121 CCCCc1ccccc1NC 34a_200011217597_200000210301 [2,0,0,0,0,0|2,0,0]=4 5396 B12R1.121 CCCCc1ccccc1NC 7a_200011217597_200000210301 [2,0,0,0,0,0|2,0,0]=4 5397 B12R1.121 CCCCc1ccccc1N[13CH3] 2230a_200011217597_200025704644 [2,0,0,0,0,0|2,0,0]=4 5398 B12R1.121 CCCCc1ccccc1N[13CH3] 34a_200011217597_200025704644 [2,0,0,0,0,0|2,0,0]=4 5399 B12R1.121 CCCCc1ccccc1N[13CH3] 7a_200011217597_200025704644 [2,0,0,0,0,0|2,0,0]=4 5400 B12R1.121 CCCCc1ccccc1OC 271570a_100020621405_100000174000 [2,0,0,0,0,0|1,0,0]=3 5401 B12R1.121 CCCCc1ccccc1SC 271570a_100020621405_100011217816 [2,0,0,0,0,0|1,1,0]=4 5402 B12R1.121 CCCCc1cccnc1OC 271570a_100020621405_100000047025 [2,0,0,0,0,0|2,0,0]=4 5403 B12R1.121 CCCCc1ccncc1OC 271570a_100020621405_100016988167 [2,0,0,0,0,0|2,0,0]=4 5404 B12R1.121 CCCCc1cnccc1OC 271570a_100020621405_100011997281 [2,0,0,0,0,0|2,0,0]=4 5405 B12R1.121 CCCCc1ncccc1OC 271570a_100020621405_100000690851 [2,0,0,0,0,0|2,0,0]=4 5406 B12R1.121 CCCNc1ccccc1CC 2230a_100000212081_100000210303 [2,0,0,0,0,0|2,0,0]=4 5407 B12R1.121 CCCNc1ccccc1CC 34a_100000212081_100000210303 [2,0,0,0,0,0|2,0,0]=4 5408 B12R1.121 CCCNc1ccccc1CC 7a_100000212081_100000210303 [2,0,0,0,0,0|2,0,0]=4 5409 B12R1.121 CCCNc1ccccc1OC 34a_100000210025_100000210303 [2,0,0,0,0,0|1,0,0]=3 5410 B12R1.121 CCCNc1ccccc1SC 34a_100000211160_100000210303 [2,0,0,0,0,0|1,1,0]=4 5411 B12R1.121 CCCOc1ccccc1C#N 34a_100000211048_100000210303 [2,0,0,0,0,0|2,0,0]=4 5412 B12R1.121 CCCOc1ccccc1C#N 7a_100000211048_100000210303 [2,0,0,0,0,0|2,0,0]=4 5413 B12R1.121 CCCOc1ccccc1CC 34a_100000210936_100000210303 [2,0,0,0,0,0|1,0,0]=3 5414 B12R1.121 CCCOc1ccccc1CC 7a_100000210936_100000210303 [2,0,0,0,0,0|1,0,0]=3 5415 B12R1.121 CCCOc1ccccc1CN 34a_100000185550_100000210303 [2,0,0,0,0,0|2,0,0]=4 5416 B12R1.121 CCCOc1ccccc1CO 34a_100011216872_100000210303 [2,0,0,0,0,0|2,0,0]=4 5417 B12R1.121 CCCOc1ccccc1NC 27a_100102657272_100000174042 [2,0,0,0,0,0|1,0,0]=3 5418 B12R1.121 CCCOc1ccccc1NC 34a_100000033821_100000210303 [2,0,0,0,0,0|1,0,0]=3 5419 B12R1.121 CCCOc1ccccc1NC 34a_100000683936_200000210301 [2,0,0,0,0,0|1,0,0]=3 5420 B12R1.121 CCCOc1ccccc1N[13CH3] 34a_100000683936_200025704644 [2,0,0,0,0,0|1,0,0]=3 5421 B12R1.121 CCCOc1ccccc1OC 34a_100000180214_200000210301 [2,0,0,0,0,0|0,0,0]=2 5422 B12R1.121 CCCOc1ccccc1OC 34a_100000210385_100000210303 [2,0,0,0,0,0|0,0,0]=2 5423 B12R1.121 CCCOc1ccccc1OC 7a_100000180214_200000210301 [2,0,0,0,0,0|0,0,0]=2 5424 B12R1.121 CCCOc1ccccc1O[13CH3] 34a_100000180214_200025704644 [2,0,0,0,0,0|0,0,0]=2 5425 B12R1.121 CCCOc1ccccc1O[13CH3] 7a_100000180214_200025704644 [2,0,0,0,0,0|0,0,0]=2 5426 B12R1.121 CCCOc1ccccc1SC 34a_100011216402_100000210303 [2,0,0,0,0,0|0,1,0]=3 5427 B12R1.121 CCCOc1ccccc1SC 62a_100000174042_200000210301 [2,0,0,0,0,0|0,1,0]=3 5428 B12R1.121 CCCOc1ccccc1SC 62a_200000210301_100000174042 [2,0,0,0,0,0|0,1,0]=3 5429 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_100000174042_200025704644 [2,0,0,0,0,0|0,1,0]=3 5430 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_200025704644_100000174042 [2,0,0,0,0,0|0,1,0]=3 5431 B12R1.121 CCCOc1cccnc1OC 34a_100000698397_100000210303 [2,0,0,0,0,0|1,0,0]=3 5432 B12R1.121 CCCOc1cccnc1OC 7a_100000698397_100000210303 [2,0,0,0,0,0|1,0,0]=3 5433 B12R1.121 CCCOc1cnccc1OC 34a_100000101186_100000210303 [2,0,0,0,0,0|1,0,0]=3 5434 B12R1.121 CCCOc1ncccc1OC 34a_100025773188_100000210303 [2,0,0,0,0,0|1,0,0]=3 5435 B12R1.121 CCCOc1ncccc1SC 62a_200000210301_200011465209 [2,0,0,0,0,0|1,1,0]=4 5436 B12R1.121 CCCOc1ncccc1SC 62a_200011465209_200000210301 [2,0,0,0,0,0|1,1,0]=4 5437 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200011465209_200025704644 [2,0,0,0,0,0|1,1,0]=4 5438 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200025704644_200011465209 [2,0,0,0,0,0|1,1,0]=4 5439 B12R1.121 CCCSc1ccccc1CC 62a_100000210303_100011215823 [2,0,0,0,0,0|1,1,0]=4 5440 B12R1.121 CCCSc1ccccc1CC 62a_100011215823_100000210303 [2,0,0,0,0,0|1,1,0]=4 5441 B12R1.121 CCCSc1ccccc1NC 34a_100015184514_200000210301 [2,0,0,0,0,0|1,1,0]=4 5442 B12R1.121 CCCSc1ccccc1NC 62a_100000210303_100020606079 [2,0,0,0,0,0|1,1,0]=4 5443 B12R1.121 CCCSc1ccccc1NC 62a_100020606079_100000210303 [2,0,0,0,0,0|1,1,0]=4 5444 B12R1.121 CCCSc1ccccc1NC 7a_100015184514_200000210301 [2,0,0,0,0,0|1,1,0]=4 5445 B12R1.121 CCCSc1ccccc1N[13CH3] 34a_100015184514_200025704644 [2,0,0,0,0,0|1,1,0]=4 5446 B12R1.121 CCCSc1ccccc1N[13CH3] 7a_100015184514_200025704644 [2,0,0,0,0,0|1,1,0]=4 5447 B12R1.121 CCCSc1ccccc1OC 62a_100000210303_100000210334 [2,0,0,0,0,0|0,1,0]=3 5448 B12R1.121 CCCSc1ccccc1OC 62a_100000210334_100000210303 [2,0,0,0,0,0|0,1,0]=3 5449 B12R1.121 CCCSc1ccccc1SC 62a_100000210303_100011217816 [2,0,0,0,0,0|0,2,0]=4 5450 B12R1.121 CCCSc1ccccc1SC 62a_100011217816_100000210303 [2,0,0,0,0,0|0,2,0]=4 5451 B12R1.121 CCCSc1cccnc1OC 62a_100000047025_100000210303 [2,0,0,0,0,0|1,1,0]=4 5452 B12R1.121 CCCSc1cccnc1OC 62a_100000210303_100000047025 [2,0,0,0,0,0|1,1,0]=4 5453 B12R1.121 CCCSc1ccncc1OC 62a_100000210303_100016988167 [2,0,0,0,0,0|1,1,0]=4 5454 B12R1.121 CCCSc1ccncc1OC 62a_100016988167_100000210303 [2,0,0,0,0,0|1,1,0]=4 5455 B12R1.121 CCCSc1cnccc1OC 62a_100000210303_100011997281 [2,0,0,0,0,0|1,1,0]=4 5456 B12R1.121 CCCSc1cnccc1OC 62a_100011997281_100000210303 [2,0,0,0,0,0|1,1,0]=4 5457 B12R1.121 CCCSc1ncccc1OC 62a_100000210303_100000690851 [2,0,0,0,0,0|1,1,0]=4 5458 B12R1.121 CCCSc1ncccc1OC 62a_100000767102_100000210303 [2,0,0,0,0,0|1,1,0]=4 5459 B12R1.121 CCNCc1ccccc1OC 207a_100015525214_100000169842 [2,0,0,0,0,0|2,0,0]=4 5460 B12R1.121 CCNCc1ccccc1OC 2230a_100015525214_100000210004 [2,0,0,0,0,0|2,0,0]=4 5461 B12R1.121 CCNCc1ccccc1OC 270004a_100015525214_100000169842 [2,0,0,0,0,0|2,0,0]=4 5462 B12R1.121 CCNCc1ccccc1OC 34a_100000188900_100000210202 [2,0,0,0,0,0|2,0,0]=4 5463 B12R1.121 CCOCc1ccccc1OC 34a_100000211301_100000210202 [2,0,0,0,0,0|2,0,0]=4 5464 B12R1.121 CCOCc1ccccc1OC 34a_100121572206_100000210004 [2,0,0,0,0,0|2,0,0]=4 5465 B12R1.121 CCSCc1ccccc1OC 62a_100000210004_100000210202 [2,0,0,0,0,0|2,0,0]=4 5466 B12R1.121 CCSCc1ccccc1OC 62a_100000210202_100000210004 [2,0,0,0,0,0|2,0,0]=4 5467 B12R1.121 CCc1ccccc1NCCO 2230a_100000212081_100000211926 [2,0,0,0,0,0|2,0,0]=4 5468 B12R1.121 CCc1ccccc1NCCO 34a_100000212081_100000211926 [2,0,0,0,0,0|2,0,0]=4 5469 B12R1.121 CCc1ccccc1NCCO 7a_100000212081_100000211926 [2,0,0,0,0,0|2,0,0]=4 5470 B12R1.121 CCc1ccccc1OCCF 34a_100000210936_100011217306 [2,0,0,0,0,0|2,0,0]=4 5471 B12R1.121 CCc1ccccc1OCCF 7a_100000210936_100011217306 [2,0,0,0,0,0|2,0,0]=4 5472 B12R1.121 CCc1ccccc1OCCO 34a_100000210936_100000211926 [2,0,0,0,0,0|1,0,0]=3 5473 B12R1.121 CCc1ccccc1OCCO 7a_100000210936_100000211926 [2,0,0,0,0,0|1,0,0]=3 5474 B12R1.121 CCc1ccccc1OCSC 34a_100000210936_100011218213 [2,0,0,0,0,0|2,0,0]=4 5475 B12R1.121 CCc1ccccc1SCCO 62a_100000211926_100011215823 [2,0,0,0,0,0|1,1,0]=4 5476 B12R1.121 CCc1ccccc1SCCO 62a_100011215823_100000211926 [2,0,0,0,0,0|1,1,0]=4 5477 B12R1.121 CNCCc1ccccc1OC 2230a_100000211851_200000210301 [2,0,0,0,0,0|2,0,0]=4 5478 B12R1.121 CNCCc1ccccc1OC 2230a_106832991635_100011713687 [2,0,0,0,0,0|2,0,0]=4 5479 B12R1.121 CNCCc1ccccc1OC 270004a_106832991635_100011713418 [2,0,0,0,0,0|2,0,0]=4 5480 B12R1.121 CNCCc1ccccc1OC 34a_100000211851_200000210301 [2,0,0,0,0,0|2,0,0]=4 5481 B12R1.121 CNCCc1ccccc1OC 34a_100102657272_100011713687 [2,0,0,0,0,0|2,0,0]=4 5482 B12R1.121 CNCCc1ccccc1OC 7a_106832991635_100011713687 [2,0,0,0,0,0|2,0,0]=4 5483 B12R1.121 CNc1ccccc1OCCF 34a_100000033821_100011217306 [2,0,0,0,0,0|2,0,0]=4 5484 B12R1.121 CNc1ccccc1OCCF 34a_100012000959_200000210301 [2,0,0,0,0,0|2,0,0]=4 5485 B12R1.121 CNc1ccccc1OCCO 34a_100000033821_100000211926 [2,0,0,0,0,0|1,0,0]=3 5486 B12R1.121 CNc1ccccc1OCCO 34a_100132302172_200000210301 [2,0,0,0,0,0|1,0,0]=3 5487 B12R1.121 CNc1ccccc1OCSC 34a_100000033821_100011218213 [2,0,0,0,0,0|2,0,0]=4 5488 B12R1.121 CNc1ccccc1SCCO 62a_100000211926_100020606079 [2,0,0,0,0,0|1,1,0]=4 5489 B12R1.121 CNc1ccccc1SCCO 62a_100020606079_100000211926 [2,0,0,0,0,0|1,1,0]=4 5490 B12R1.121 COCCc1ccccc1OC 34a_100000722730_200000210301 [2,0,0,0,0,0|2,0,0]=4 5491 B12R1.121 COCCc1ccccc1OC 34a_100011218620_200000210301 [2,0,0,0,0,0|2,0,0]=4 5492 B12R1.121 COCCc1ccccc1OC 34a_100138415774_100011713687 [2,0,0,0,0,0|2,0,0]=4 5493 B12R1.121 COCCc1ccccc1OC 7a_100000722730_200000210301 [2,0,0,0,0,0|2,0,0]=4 5494 B12R1.121 COCCc1ccccc1OC 7a_100011218620_200000210301 [2,0,0,0,0,0|2,0,0]=4 5495 B12R1.121 COCCc1ccccc1O[13CH3] 34a_100000722730_200025704644 [2,0,0,0,0,0|2,0,0]=4 5496 B12R1.121 COCCc1ccccc1O[13CH3] 7a_100000722730_200025704644 [2,0,0,0,0,0|2,0,0]=4 5497 B12R1.121 COCOc1ccccc1SC 62a_200000210301_200000230759 [2,0,0,0,0,0|1,1,0]=4 5498 B12R1.121 COCOc1ccccc1SC 62a_200000230759_200000210301 [2,0,0,0,0,0|1,1,0]=4 5499 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200000230759_200025704644 [2,0,0,0,0,0|1,1,0]=4 5500 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200025704644_200000230759 [2,0,0,0,0,0|1,1,0]=4 5501 B12R1.121 COCSc1ccccc1OC 62a_100000210334_100000766300 [2,0,0,0,0,0|1,1,0]=4 5502 B12R1.121 COCSc1ccccc1OC 62a_100000766300_100000210334 [2,0,0,0,0,0|1,1,0]=4 5503 B12R1.121 COc1ccccc1CCN[13CH3] 2230a_100000211851_200025704644 [2,0,0,0,0,0|2,0,0]=4 5504 B12R1.121 COc1ccccc1CCN[13CH3] 34a_100000211851_200025704644 [2,0,0,0,0,0|2,0,0]=4 5505 B12R1.121 COc1ccccc1CCO[13CH3] 34a_100011218620_200025704644 [2,0,0,0,0,0|2,0,0]=4 5506 B12R1.121 COc1ccccc1CCO[13CH3] 7a_100011218620_200025704644 [2,0,0,0,0,0|2,0,0]=4 5507 B12R1.121 COc1ccccc1CCSC 62a_100011713687_200000210301 [2,0,0,0,0,0|2,0,0]=4 5508 B12R1.121 COc1ccccc1CCSC 62a_200000210301_100011713687 [2,0,0,0,0,0|2,0,0]=4 5509 B12R1.121 COc1ccccc1CCS[13CH3] 62a_100011713687_200025704644 [2,0,0,0,0,0|2,0,0]=4 5510 B12R1.121 COc1ccccc1CCS[13CH3] 62a_200025704644_100011713687 [2,0,0,0,0,0|2,0,0]=4 5511 B12R1.121 COc1ccccc1CNCF 34a_100000188900_100015361967 [2,0,0,0,0,0|2,0,0]=4 5512 B12R1.121 COc1ccccc1COCF 34a_100000211301_100015361967 [2,0,0,0,0,0|2,0,0]=4 5513 B12R1.121 COc1ccccc1CSCF 62a_100000210004_100015361967 [2,0,0,0,0,0|2,0,0]=4 5514 B12R1.121 COc1ccccc1CSCF 62a_100015361967_100000210004 [2,0,0,0,0,0|2,0,0]=4 5515 B12R1.121 COc1ccccc1NCCF 34a_100000210025_100011217306 [2,0,0,0,0,0|2,0,0]=4 5516 B12R1.121 COc1ccccc1NCCO 34a_100000210025_100000211926 [2,0,0,0,0,0|1,0,0]=3 5517 B12R1.121 COc1ccccc1NCSC 34a_100000210025_100011218213 [2,0,0,0,0,0|2,0,0]=4 5518 B12R1.121 COc1ccccc1OCC=O 34a_100000210385_200009817547 [2,0,0,0,0,0|0,0,2]=4 5519 B12R1.121 COc1ccccc1OCCF 34a_100000210385_100011217306 [2,0,0,0,0,0|1,0,0]=3 5520 B12R1.121 COc1ccccc1OCCO 34a_100000181789_200000210301 [2,0,0,0,0,0|0,0,0]=2 5521 B12R1.121 COc1ccccc1OCCO 34a_100000210385_100000211926 [2,0,0,0,0,0|0,0,0]=2 5522 B12R1.121 COc1ccccc1OCCO 7a_100000181789_200000210301 [2,0,0,0,0,0|0,0,0]=2 5523 B12R1.121 COc1ccccc1OCSC 34a_100000210385_100011218213 [2,0,0,0,0,0|1,0,0]=3 5524 B12R1.121 COc1ccccc1SCCF 62a_100000210334_100011217306 [2,0,0,0,0,0|1,1,0]=4 5525 B12R1.121 COc1ccccc1SCCF 62a_100011217306_100000210334 [2,0,0,0,0,0|1,1,0]=4 5526 B12R1.121 COc1ccccc1SCCO 62a_100000210334_100000211926 [2,0,0,0,0,0|0,1,0]=3 5527 B12R1.121 COc1ccccc1SCCO 62a_100000211926_100000210334 [2,0,0,0,0,0|0,1,0]=3 5528 B12R1.121 COc1ccccc1SCSC 62a_100000210334_100011218213 [2,0,0,0,0,0|1,1,0]=4 5529 B12R1.121 COc1ccccc1SCSC 62a_100011218213_100000210334 [2,0,0,0,0,0|1,1,0]=4 5530 B12R1.121 COc1cccnc1OCCF 34a_100025773188_100011217306 [2,0,0,0,0,0|2,0,0]=4 5531 B12R1.121 COc1cccnc1OCCO 34a_100025773188_100000211926 [2,0,0,0,0,0|1,0,0]=3 5532 B12R1.121 COc1cccnc1OCSC 34a_100025773188_100011218213 [2,0,0,0,0,0|2,0,0]=4 5533 B12R1.121 COc1cccnc1SCCO 62a_100000211926_100000690851 [2,0,0,0,0,0|1,1,0]=4 5534 B12R1.121 COc1cccnc1SCCO 62a_100000767102_100000211926 [2,0,0,0,0,0|1,1,0]=4 5535 B12R1.121 COc1ccncc1OCCF 34a_100000101186_100011217306 [2,0,0,0,0,0|2,0,0]=4 5536 B12R1.121 COc1ccncc1OCCO 34a_100000101186_100000211926 [2,0,0,0,0,0|1,0,0]=3 5537 B12R1.121 COc1ccncc1OCSC 34a_100000101186_100011218213 [2,0,0,0,0,0|2,0,0]=4 5538 B12R1.121 COc1ccncc1SCCO 62a_100000211926_100011997281 [2,0,0,0,0,0|1,1,0]=4 5539 B12R1.121 COc1ccncc1SCCO 62a_100011997281_100000211926 [2,0,0,0,0,0|1,1,0]=4 5540 B12R1.121 COc1cnccc1SCCO 62a_100000211926_100016988167 [2,0,0,0,0,0|1,1,0]=4 5541 B12R1.121 COc1cnccc1SCCO 62a_100016988167_100000211926 [2,0,0,0,0,0|1,1,0]=4 5542 B12R1.121 COc1ncccc1OCCF 34a_100000698397_100011217306 [2,0,0,0,0,0|2,0,0]=4 5543 B12R1.121 COc1ncccc1OCCF 7a_100000698397_100011217306 [2,0,0,0,0,0|2,0,0]=4 5544 B12R1.121 COc1ncccc1OCCO 34a_100000698397_100000211926 [2,0,0,0,0,0|1,0,0]=3 5545 B12R1.121 COc1ncccc1OCCO 7a_100000698397_100000211926 [2,0,0,0,0,0|1,0,0]=3 5546 B12R1.121 COc1ncccc1OCSC 34a_100000698397_100011218213 [2,0,0,0,0,0|2,0,0]=4 5547 B12R1.121 COc1ncccc1SCCO 62a_100000047025_100000211926 [2,0,0,0,0,0|1,1,0]=4 5548 B12R1.121 COc1ncccc1SCCO 62a_100000211926_100000047025 [2,0,0,0,0,0|1,1,0]=4 5549 B12R1.121 CSCOc1ccccc1SC 34a_100011216402_100011218213 [2,0,0,0,0,0|1,1,0]=4 5550 B12R1.121 CSc1ccccc1CCCO 62a_100000699526_200000210301 [2,0,0,0,0,0|0,1,0]=3 5551 B12R1.121 CSc1ccccc1CCCO 62a_200000210301_100000699526 [2,0,0,0,0,0|0,1,0]=3 5552 B12R1.121 CSc1ccccc1NCCO 34a_100000211160_100000211926 [2,0,0,0,0,0|1,1,0]=4 5553 B12R1.121 CSc1ccccc1OCCF 34a_100011216402_100011217306 [2,0,0,0,0,0|1,1,0]=4 5554 B12R1.121 CSc1ccccc1OCCN 62a_100000744007_200000210301 [2,0,0,0,0,0|1,1,0]=4 5555 B12R1.121 CSc1ccccc1OCCN 62a_200000210301_100000744007 [2,0,0,0,0,0|1,1,0]=4 5556 B12R1.121 CSc1ccccc1OCCO 34a_100011216402_100000211926 [2,0,0,0,0,0|0,1,0]=3 5557 B12R1.121 CSc1ccccc1OCCO 62a_100000230753_200000210301 [2,0,0,0,0,0|0,1,0]=3 5558 B12R1.121 CSc1ccccc1OCCO 62a_200000210301_100000230753 [2,0,0,0,0,0|0,1,0]=3 5559 B12R1.121 CSc1ccccc1SCCO 62a_100000211926_100011217816 [2,0,0,0,0,0|0,2,0]=4 5560 B12R1.121 CSc1ccccc1SCCO 62a_100011217816_100000211926 [2,0,0,0,0,0|0,2,0]=4 5561 B12R1.121 CSc1ccccc1SCCO 62a_200000210301_200000230852 [2,0,0,0,0,0|0,2,0]=4 5562 B12R1.121 CSc1ccccc1SCCO 62a_200000230852_200000210301 [2,0,0,0,0,0|0,2,0]=4 5563 B12R1.121 N#Cc1ccccc1OCCO 34a_100000211048_100000211926 [2,0,0,0,0,0|2,0,0]=4 5564 B12R1.121 N#Cc1ccccc1OCCO 7a_100000211048_100000211926 [2,0,0,0,0,0|2,0,0]=4 5565 B12R1.121 NCc1ccccc1OCCO 34a_100000185550_100000211926 [2,0,0,0,0,0|2,0,0]=4 5566 B12R1.121 OCCOc1ccccc1CO 34a_100011216872_100000211926 [2,0,0,0,0,0|2,0,0]=4 5567 B12R1.121 [13CH3]Nc1ccccc1OCCF 34a_100012000959_200025704644 [2,0,0,0,0,0|2,0,0]=4 5568 B12R1.121 [13CH3]Nc1ccccc1OCCO 34a_100132302172_200025704644 [2,0,0,0,0,0|1,0,0]=3 5569 B12R1.121 [13CH3]Oc1ccccc1OCCO 34a_100000181789_200025704644 [2,0,0,0,0,0|0,0,0]=2 5570 B12R1.121 [13CH3]Oc1ccccc1OCCO 7a_100000181789_200025704644 [2,0,0,0,0,0|0,0,0]=2 5571 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_100000699526_200025704644 [2,0,0,0,0,0|0,1,0]=3 5572 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_200025704644_100000699526 [2,0,0,0,0,0|0,1,0]=3 5573 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_100000744007_200025704644 [2,0,0,0,0,0|1,1,0]=4 5574 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_200025704644_100000744007 [2,0,0,0,0,0|1,1,0]=4 5575 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_100000230753_200025704644 [2,0,0,0,0,0|0,1,0]=3 5576 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_200025704644_100000230753 [2,0,0,0,0,0|0,1,0]=3 5577 B12R1.121 [13CH3]Sc1ccccc1SCCO 62a_200000230852_200025704644 [2,0,0,0,0,0|0,2,0]=4 5578 B12R1.121 [13CH3]Sc1ccccc1SCCO 62a_200025704644_200000230852 [2,0,0,0,0,0|0,2,0]=4 5579 B12R1.267 C#CCCOc1ccccc1C 34a_100000210338_100000688953 [2,0,0,0,0,0|1,0,1]=4 5580 B12R1.267 C#CCCOc1ccccc1C 7a_100000210338_100000688953 [2,0,0,0,0,0|1,0,1]=4 5581 B12R1.267 C=CCCOc1ccccc1C 34a_100000210338_100000754431 [2,0,0,0,0,0|1,0,1]=4 5582 B12R1.267 C=CCCOc1ccccc1C 7a_100000210338_100000754431 [2,0,0,0,0,0|1,0,1]=4 5583 B12R1.267 CCCCNc1ccccc1C 34a_100015192222_100000210210 [2,0,0,0,0,0|2,0,0]=4 5584 B12R1.267 CCCCNc1ccccc1O 34a_100000185747_100000210210 [2,0,0,0,0,0|2,0,0]=4 5585 B12R1.267 CCCCOc1ccccc1Br 34a_100000181306_100000210210 [2,0,0,0,0,0|2,0,0]=4 5586 B12R1.267 CCCCOc1ccccc1Br 7a_100000181306_100000210211 [2,0,0,0,0,0|2,0,0]=4 5587 B12R1.267 CCCCOc1ccccc1C 34a_100000210338_100000210210 [2,0,0,0,0,0|1,0,0]=3 5588 B12R1.267 CCCCOc1ccccc1C 7a_100000210338_100000210211 [2,0,0,0,0,0|1,0,0]=3 5589 B12R1.267 CCCCOc1ccccc1Cl 34a_100000210172_100000210210 [2,0,0,0,0,0|2,0,0]=4 5590 B12R1.267 CCCCOc1ccccc1Cl 7a_100000210172_100000210211 [2,0,0,0,0,0|2,0,0]=4 5591 B12R1.267 CCCCOc1ccccc1F 34a_100000210171_100000210210 [2,0,0,0,0,0|2,0,0]=4 5592 B12R1.267 CCCCOc1ccccc1F 7a_100000210171_100000210211 [2,0,0,0,0,0|2,0,0]=4 5593 B12R1.267 CCCCOc1ccccc1I 34a_100000739446_100000210210 [2,0,0,0,0,0|2,0,0]=4 5594 B12R1.267 CCCCOc1ccccc1I 7a_100000739446_100000210211 [2,0,0,0,0,0|2,0,0]=4 5595 B12R1.267 CCCCOc1ccccc1N 34a_100000185747_100000210210 [2,0,0,0,0,0|2,0,0]=4 5596 B12R1.267 CCCCOc1ccccc1N 7a_100000185747_100000210211 [2,0,0,0,0,0|2,0,0]=4 5597 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [2,0,0,0,0,0|1,0,0]=3 5598 B12R1.267 CCCCOc1cccnc1C 34a_100000745507_100000210210 [2,0,0,0,0,0|2,0,0]=4 5599 B12R1.267 CCCCOc1cccnc1C 7a_100000745507_100000210211 [2,0,0,0,0,0|2,0,0]=4 5600 B12R1.267 CCCCOc1ccncc1C 34a_100000694293_100000210210 [2,0,0,0,0,0|2,0,0]=4 5601 B12R1.267 CCCCOc1cnccc1C 34a_100011997053_100000210210 [2,0,0,0,0,0|2,0,0]=4 5602 B12R1.267 CCCCOc1cnccc1C 7a_100011997053_100000210211 [2,0,0,0,0,0|2,0,0]=4 5603 B12R1.267 CCCCSc1ccccc1C 62a_100000210211_100000210755 [2,0,0,0,0,0|1,1,0]=4 5604 B12R1.267 CCCCSc1ccccc1C 62a_100000210755_100000210210 [2,0,0,0,0,0|1,1,0]=4 5605 B12R1.267 CCCCSc1ccccc1O 62a_100000210211_100000739446 [2,0,0,0,0,0|1,1,0]=4 5606 B12R1.267 CCCCSc1ccccc1O 62a_100000739446_100000210210 [2,0,0,0,0,0|1,1,0]=4 5607 B12R1.267 CNCCOc1ccccc1C 2230a_100000743344_200000210301 [2,0,0,0,0,0|2,0,0]=4 5608 B12R1.267 CNCCOc1ccccc1C 2230a_106832991635_100000184434 [2,0,0,0,0,0|2,0,0]=4 5609 B12R1.267 CNCCOc1ccccc1C 34a_100000743344_200000210301 [2,0,0,0,0,0|2,0,0]=4 5610 B12R1.267 CNCCOc1ccccc1C 34a_100102657272_100000184434 [2,0,0,0,0,0|2,0,0]=4 5611 B12R1.267 CNCCOc1ccccc1C 7a_106832991635_100000184434 [2,0,0,0,0,0|2,0,0]=4 5612 B12R1.267 COCCOc1ccccc1C 34a_100000210338_100011201679 [2,0,0,0,0,0|2,0,0]=4 5613 B12R1.267 COCCOc1ccccc1C 34a_100138415774_100000184434 [2,0,0,0,0,0|2,0,0]=4 5614 B12R1.267 COCCOc1ccccc1C 7a_100000210338_100000233755 [2,0,0,0,0,0|2,0,0]=4 5615 B12R1.267 COCCOc1ccccc1O 271570a_203496583355_100000234100 [2,0,0,0,0,0|2,0,0]=4 5616 B12R1.267 CSCCOc1ccccc1C 34a_100000210338_100000212216 [2,0,0,0,0,0|2,0,0]=4 5617 B12R1.267 CSCCOc1ccccc1C 62a_100000184434_200000210301 [2,0,0,0,0,0|2,0,0]=4 5618 B12R1.267 CSCCOc1ccccc1C 62a_200000210301_100000184434 [2,0,0,0,0,0|2,0,0]=4 5619 B12R1.267 CSCCOc1ccccc1C 7a_100000210338_100000212216 [2,0,0,0,0,0|2,0,0]=4 5620 B12R1.267 C[n+]1ccccc1SCCCO 62a_100011215043_100000212160 [2,0,0,0,0,0|1,1,0]=4 5621 B12R1.267 Cc1ccccc1CNCCO 207a_100000210304_100000211143 [2,0,0,0,0,0|2,0,0]=4 5622 B12R1.267 Cc1ccccc1CNCCO 2230a_100016997473_100000211839 [2,0,0,0,0,0|2,0,0]=4 5623 B12R1.267 Cc1ccccc1CNCCO 270004a_100000210304_100000211143 [2,0,0,0,0,0|2,0,0]=4 5624 B12R1.267 Cc1ccccc1CNCCO 34a_100000174972_100000211926 [2,0,0,0,0,0|2,0,0]=4 5625 B12R1.267 Cc1ccccc1CNCCO 34a_100016990907_100000211839 [2,0,0,0,0,0|2,0,0]=4 5626 B12R1.267 Cc1ccccc1COCCO 34a_100000698903_100000211926 [2,0,0,0,0,0|2,0,0]=4 5627 B12R1.267 Cc1ccccc1COCCO 7a_100000698903_100000211926 [2,0,0,0,0,0|2,0,0]=4 5628 B12R1.267 Cc1ccccc1CSCCO 62a_100000211839_100000211926 [2,0,0,0,0,0|2,0,0]=4 5629 B12R1.267 Cc1ccccc1CSCCO 62a_100000211926_100000211839 [2,0,0,0,0,0|2,0,0]=4 5630 B12R1.267 Cc1ccccc1NCCCF 34a_100015192222_100011934791 [2,0,0,0,0,0|2,0,0]=4 5631 B12R1.267 Cc1ccccc1NCCCO 34a_100015192222_100000230001 [2,0,0,0,0,0|1,0,0]=3 5632 B12R1.267 Cc1ccccc1OCCC#N 7a_100000210338_100000184422 [2,0,0,0,0,0|1,0,1]=4 5633 B12R1.267 Cc1ccccc1OCCCF 34a_100000210338_100011934791 [2,0,0,0,0,0|1,0,0]=3 5634 B12R1.267 Cc1ccccc1OCCCF 7a_100000210338_100011934791 [2,0,0,0,0,0|1,0,0]=3 5635 B12R1.267 Cc1ccccc1OCCCO 34a_100000210338_100000230001 [2,0,0,0,0,0|0,0,0]=2 5636 B12R1.267 Cc1ccccc1OCCCO 7a_100000210338_100011215043 [2,0,0,0,0,0|0,0,0]=2 5637 B12R1.267 Cc1ccccc1OCCN[13CH3] 2230a_100000743344_200025704644 [2,0,0,0,0,0|2,0,0]=4 5638 B12R1.267 Cc1ccccc1OCCN[13CH3] 34a_100000743344_200025704644 [2,0,0,0,0,0|2,0,0]=4 5639 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_100000184434_200025704644 [2,0,0,0,0,0|2,0,0]=4 5640 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_200025704644_100000184434 [2,0,0,0,0,0|2,0,0]=4 5641 B12R1.267 Cc1ccccc1SCCCF 62a_100000210755_100011934791 [2,0,0,0,0,0|1,1,0]=4 5642 B12R1.267 Cc1ccccc1SCCCF 62a_100011934791_100000210755 [2,0,0,0,0,0|1,1,0]=4 5643 B12R1.267 Cc1ccccc1SCCCO 62a_100000210755_100011215043 [2,0,0,0,0,0|0,1,0]=3 5644 B12R1.267 Cc1ccccc1SCCCO 62a_100011215043_100000210755 [2,0,0,0,0,0|0,1,0]=3 5645 B12R1.267 Cc1cccnc1SCCCO 62a_100000751373_100011215043 [2,0,0,0,0,0|1,1,0]=4 5646 B12R1.267 Cc1cccnc1SCCCO 62a_100011215043_100000751373 [2,0,0,0,0,0|1,1,0]=4 5647 B12R1.267 Cc1ccncc1OCCCF 34a_100011997053_100011934791 [2,0,0,0,0,0|2,0,0]=4 5648 B12R1.267 Cc1ccncc1OCCCF 7a_100011997053_100011934791 [2,0,0,0,0,0|2,0,0]=4 5649 B12R1.267 Cc1ccncc1OCCCO 34a_100011997053_100000230001 [2,0,0,0,0,0|1,0,0]=3 5650 B12R1.267 Cc1ccncc1OCCCO 7a_100011997053_100011215043 [2,0,0,0,0,0|1,0,0]=3 5651 B12R1.267 Cc1ccncc1SCCCO 62a_100000761580_100011215043 [2,0,0,0,0,0|1,1,0]=4 5652 B12R1.267 Cc1ccncc1SCCCO 62a_100011215043_100000761580 [2,0,0,0,0,0|1,1,0]=4 5653 B12R1.267 Cc1cnccc1NCCCO 27a_100000182051_100000765111 [2,0,0,0,0,0|2,0,0]=4 5654 B12R1.267 Cc1cnccc1OCCCF 34a_100000694293_100011934791 [2,0,0,0,0,0|2,0,0]=4 5655 B12R1.267 Cc1cnccc1OCCCO 34a_100000694293_100000230001 [2,0,0,0,0,0|1,0,0]=3 5656 B12R1.267 Cc1cnccc1SCCCO 62a_100000765111_100011215043 [2,0,0,0,0,0|1,1,0]=4 5657 B12R1.267 Cc1cnccc1SCCCO 62a_100011215043_100000765111 [2,0,0,0,0,0|1,1,0]=4 5658 B12R1.267 Cc1ncccc1OCCCF 34a_100000745507_100011934791 [2,0,0,0,0,0|2,0,0]=4 5659 B12R1.267 Cc1ncccc1OCCCF 7a_100000745507_100011934791 [2,0,0,0,0,0|2,0,0]=4 5660 B12R1.267 Cc1ncccc1OCCCO 34a_100000745507_100000230001 [2,0,0,0,0,0|1,0,0]=3 5661 B12R1.267 Cc1ncccc1OCCCO 7a_100000745507_100011215043 [2,0,0,0,0,0|1,0,0]=3 5662 B12R1.267 Cc1ncccc1SCCCO 62a_100000751574_100011215043 [2,0,0,0,0,0|1,1,0]=4 5663 B12R1.267 Cc1ncccc1SCCCO 62a_100011215043_100000751574 [2,0,0,0,0,0|1,1,0]=4 5664 B12R1.267 Cc1nccnc1OCCCO 34a_100000766352_100000230001 [2,0,0,0,0,0|2,0,0]=4 5665 B12R1.267 FCCCOc1ccccc1Br 34a_100000181306_100011934791 [2,0,0,0,0,0|2,0,0]=4 5666 B12R1.267 FCCCOc1ccccc1Br 7a_100000181306_100011934791 [2,0,0,0,0,0|2,0,0]=4 5667 B12R1.267 FCCCOc1ccccc1Cl 34a_100000210172_100011934791 [2,0,0,0,0,0|2,0,0]=4 5668 B12R1.267 FCCCOc1ccccc1Cl 7a_100000210172_100011934791 [2,0,0,0,0,0|2,0,0]=4 5669 B12R1.267 FCCCOc1ccccc1F 34a_100000210171_100011934791 [2,0,0,0,0,0|2,0,0]=4 5670 B12R1.267 FCCCOc1ccccc1F 7a_100000210171_100011934791 [2,0,0,0,0,0|2,0,0]=4 5671 B12R1.267 FCCCOc1ccccc1I 34a_100000739446_100011934791 [2,0,0,0,0,0|2,0,0]=4 5672 B12R1.267 FCCCOc1ccccc1I 7a_100000739446_100011934791 [2,0,0,0,0,0|2,0,0]=4 5673 B12R1.267 Nc1ccccc1OCCCF 34a_100000185747_100011934791 [2,0,0,0,0,0|2,0,0]=4 5674 B12R1.267 Nc1ccccc1OCCCF 7a_100000185747_100011934791 [2,0,0,0,0,0|2,0,0]=4 5675 B12R1.267 Nc1ccccc1OCCCO 34a_100000185747_100000230001 [2,0,0,0,0,0|1,0,0]=3 5676 B12R1.267 Nc1ccccc1OCCCO 7a_100000185747_100011215043 [2,0,0,0,0,0|1,0,0]=3 5677 B12R1.267 Nc1ccccc1SCCCO 62a_100000210017_100011215043 [2,0,0,0,0,0|1,1,0]=4 5678 B12R1.267 Nc1ccccc1SCCCO 62a_100011215043_100000210017 [2,0,0,0,0,0|1,1,0]=4 5679 B12R1.267 Nc1cccnc1OCCCO 34a_100000746358_100000230001 [2,0,0,0,0,0|2,0,0]=4 5680 B12R1.267 Nc1ccncc1OCCCO 34a_100000753702_100000230001 [2,0,0,0,0,0|2,0,0]=4 5681 B12R1.267 Nc1ncccc1OCCCO 34a_100000211975_100000230001 [2,0,0,0,0,0|2,0,0]=4 5682 B12R1.267 Nc1ncccc1OCCCO 7a_100000211975_100011215043 [2,0,0,0,0,0|2,0,0]=4 5683 B12R1.267 O=c1ccocc1OCCCO 34a_100000060831_100000230001 [2,0,0,0,0,0|1,0,1]=4 5684 B12R1.267 O=c1occcc1OCCCO 34a_100000077404_100000230001 [2,0,0,0,0,0|1,0,1]=4 5685 B12R1.267 O=c1occcc1OCCCO 7a_100000077404_100011215043 [2,0,0,0,0,0|1,0,1]=4 5686 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [2,0,0,0,0,0|1,0,0]=3 5687 B12R1.267 OCCCNc1ccccc1Br 34a_100000210017_100000230001 [2,0,0,0,0,0|2,0,0]=4 5688 B12R1.267 OCCCNc1ccccc1Cl 34a_100000185783_100000230001 [2,0,0,0,0,0|2,0,0]=4 5689 B12R1.267 OCCCNc1ccccc1F 34a_100000210422_100000230001 [2,0,0,0,0,0|2,0,0]=4 5690 B12R1.267 OCCCNc1ccccc1I 34a_100000210053_100000230001 [2,0,0,0,0,0|2,0,0]=4 5691 B12R1.267 OCCCNc1ccccc1O 34a_100000185747_100000230001 [2,0,0,0,0,0|1,0,0]=3 5692 B12R1.267 OCCCOc1ccccc1Br 34a_100000181306_100000230001 [2,0,0,0,0,0|1,0,0]=3 5693 B12R1.267 OCCCOc1ccccc1Br 7a_100000181306_100011215043 [2,0,0,0,0,0|1,0,0]=3 5694 B12R1.267 OCCCOc1ccccc1Cl 34a_100000210172_100000230001 [2,0,0,0,0,0|1,0,0]=3 5695 B12R1.267 OCCCOc1ccccc1Cl 7a_100000210172_100011215043 [2,0,0,0,0,0|1,0,0]=3 5696 B12R1.267 OCCCOc1ccccc1F 34a_100000210171_100000230001 [2,0,0,0,0,0|1,0,0]=3 5697 B12R1.267 OCCCOc1ccccc1F 7a_100000210171_100011215043 [2,0,0,0,0,0|1,0,0]=3 5698 B12R1.267 OCCCOc1ccccc1I 34a_100000739446_100000230001 [2,0,0,0,0,0|1,0,0]=3 5699 B12R1.267 OCCCOc1ccccc1I 7a_100000739446_100011215043 [2,0,0,0,0,0|1,0,0]=3 5700 B12R1.267 OCCCOc1cccnc1Br 34a_100000744436_100000230001 [2,0,0,0,0,0|2,0,0]=4 5701 B12R1.267 OCCCOc1cccnc1Br 7a_100000744436_100011215043 [2,0,0,0,0,0|2,0,0]=4 5702 B12R1.267 OCCCOc1cccnc1Cl 34a_100000757616_100000230001 [2,0,0,0,0,0|2,0,0]=4 5703 B12R1.267 OCCCOc1cccnc1Cl 7a_100000757616_100011215043 [2,0,0,0,0,0|2,0,0]=4 5704 B12R1.267 OCCCOc1cccnc1F 34a_100000061740_100000230001 [2,0,0,0,0,0|2,0,0]=4 5705 B12R1.267 OCCCOc1cccnc1F 7a_100000061740_100011215043 [2,0,0,0,0,0|2,0,0]=4 5706 B12R1.267 OCCCOc1cccnc1I 34a_100000034122_100000230001 [2,0,0,0,0,0|2,0,0]=4 5707 B12R1.267 OCCCOc1cccnc1I 7a_100000034122_100011215043 [2,0,0,0,0,0|2,0,0]=4 5708 B12R1.267 OCCCOc1ccncc1Br 34a_100011996408_100000230001 [2,0,0,0,0,0|2,0,0]=4 5709 B12R1.267 OCCCOc1ccncc1Cl 34a_100011997054_100000230001 [2,0,0,0,0,0|2,0,0]=4 5710 B12R1.267 OCCCOc1ccncc1F 34a_200000081243_100000230001 [2,0,0,0,0,0|2,0,0]=4 5711 B12R1.267 OCCCOc1cnccc1Cl 34a_100011996695_100000230001 [2,0,0,0,0,0|2,0,0]=4 5712 B12R1.267 OCCCOc1cnccc1I 34a_100000050107_100000230001 [2,0,0,0,0,0|2,0,0]=4 5713 B12R1.267 OCCCOc1ncccc1Cl 34a_100011290957_100000230001 [2,0,0,0,0,0|2,0,0]=4 5714 B12R1.267 OCCCOc1ncccc1F 34a_100011219419_100000230001 [2,0,0,0,0,0|2,0,0]=4 5715 B12R1.267 OCCCSc1ccccc1Br 62a_100000695589_100011215043 [2,0,0,0,0,0|1,1,0]=4 5716 B12R1.267 OCCCSc1ccccc1Br 62a_100011215043_100000695589 [2,0,0,0,0,0|1,1,0]=4 5717 B12R1.267 OCCCSc1ccccc1Cl 62a_100000764095_100011215043 [2,0,0,0,0,0|1,1,0]=4 5718 B12R1.267 OCCCSc1ccccc1Cl 62a_100011215043_100000764095 [2,0,0,0,0,0|1,1,0]=4 5719 B12R1.267 OCCCSc1ccccc1F 62a_100011215043_100011215700 [2,0,0,0,0,0|1,1,0]=4 5720 B12R1.267 OCCCSc1ccccc1F 62a_100011215700_100011215043 [2,0,0,0,0,0|1,1,0]=4 5721 B12R1.267 OCCCSc1ccccc1O 62a_100000739446_100011215043 [2,0,0,0,0,0|0,1,0]=3 5722 B12R1.267 OCCCSc1ccccc1O 62a_100011215043_100000739446 [2,0,0,0,0,0|0,1,0]=3 5723 B12R1.267 OCCCSc1cccnc1O 62a_100000760158_100011215043 [2,0,0,0,0,0|1,1,0]=4 5724 B12R1.267 OCCCSc1cccnc1O 62a_100011215043_100000760158 [2,0,0,0,0,0|1,1,0]=4 5725 B12R1.267 OCCCSc1ccncc1O 62a_100009817591_100011215043 [2,0,0,0,0,0|1,1,0]=4 5726 B12R1.267 OCCCSc1ccncc1O 62a_100011215043_100009817591 [2,0,0,0,0,0|1,1,0]=4 5727 B12R1.267 OCCCSc1ncccc1O 62a_100000034122_100011215043 [2,0,0,0,0,0|1,1,0]=4 5728 B12R1.267 OCCCSc1ncccc1O 62a_100011215043_100000034122 [2,0,0,0,0,0|1,1,0]=4 5729 B12R1.267 OCCNCc1ccccc1O 271570a_203496583355_106744479749 [2,0,0,0,0,0|2,0,0]=4 5730 B12R1.267 OCCNCc1ccccc1O 34a_100000185550_100000211926 [2,0,0,0,0,0|2,0,0]=4 5731 B12R1.267 Oc1ccccc1NCCCF 34a_100000185747_100011934791 [2,0,0,0,0,0|2,0,0]=4 5732 B12R1.267 Oc1ccccc1SCCCF 62a_100000739446_100011934791 [2,0,0,0,0,0|1,1,0]=4 5733 B12R1.267 Oc1ccccc1SCCCF 62a_100011934791_100000739446 [2,0,0,0,0,0|1,1,0]=4 5734 B12R1.267 [O-][n+]1ccccc1OCCCO 7a_100000211761_100011215043 [2,0,0,0,0,0|1,0,1]=4 5735 B12R1.125 C=C(C)COc1ccccc1C 34a_100000210338_100000748629 [2,0,0,0,0,0|1,0,1]=4 5736 B12R1.125 C=C(C)COc1ccccc1C 7a_100000210338_100000748629 [2,0,0,0,0,0|1,0,1]=4 5737 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [2,0,0,0,0,0|0,0,2]=4 5738 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [2,0,0,0,0,0|0,0,2]=4 5739 B12R1.125 CC(C)CNc1ccccc1O 34a_100000185747_100000210624 [2,0,0,0,0,0|2,0,0]=4 5740 B12R1.125 CC(C)COc1ccccc1Br 34a_100000181306_100000210624 [2,0,0,0,0,0|2,0,0]=4 5741 B12R1.125 CC(C)COc1ccccc1Br 7a_100000181306_100000210760 [2,0,0,0,0,0|2,0,0]=4 5742 B12R1.125 CC(C)COc1ccccc1Cl 34a_100000210172_100000210624 [2,0,0,0,0,0|2,0,0]=4 5743 B12R1.125 CC(C)COc1ccccc1Cl 7a_100000210172_100000210760 [2,0,0,0,0,0|2,0,0]=4 5744 B12R1.125 CC(C)COc1ccccc1F 34a_100000210171_100000210624 [2,0,0,0,0,0|2,0,0]=4 5745 B12R1.125 CC(C)COc1ccccc1F 7a_100000210171_100000210760 [2,0,0,0,0,0|2,0,0]=4 5746 B12R1.125 CC(C)COc1ccccc1I 34a_100000739446_100000210624 [2,0,0,0,0,0|2,0,0]=4 5747 B12R1.125 CC(C)COc1ccccc1I 7a_100000739446_100000210760 [2,0,0,0,0,0|2,0,0]=4 5748 B12R1.125 CC(C)COc1ccccc1N 34a_100000185747_100000210624 [2,0,0,0,0,0|2,0,0]=4 5749 B12R1.125 CC(C)COc1ccccc1N 7a_100000185747_100000210760 [2,0,0,0,0,0|2,0,0]=4 5750 B12R1.125 CC(C)CSc1ccccc1O 62a_100000210624_100000739446 [2,0,0,0,0,0|1,1,0]=4 5751 B12R1.125 CC(C)CSc1ccccc1O 62a_100000739446_100000210760 [2,0,0,0,0,0|1,1,0]=4 5752 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [2,0,0,0,0,0|1,0,1]=4 5753 B12R1.125 CC(O)CNc1ccccc1Br 34a_100000210017_100011218427 [2,0,0,0,0,0|2,0,0]=4 5754 B12R1.125 CC(O)CNc1ccccc1Cl 34a_100000185783_100011218427 [2,0,0,0,0,0|2,0,0]=4 5755 B12R1.125 CC(O)CNc1ccccc1F 34a_100000210422_100011218427 [2,0,0,0,0,0|2,0,0]=4 5756 B12R1.125 CC(O)CNc1ccccc1I 34a_100000210053_100011218427 [2,0,0,0,0,0|2,0,0]=4 5757 B12R1.125 CC(O)CNc1ccccc1O 34a_100000185747_100011218427 [2,0,0,0,0,0|1,0,0]=3 5758 B12R1.125 CC(O)COc1cccc[n+]1[O-] 7a_100000211761_100011218427 [2,0,0,0,0,0|1,0,1]=4 5759 B12R1.125 CC(O)COc1ccccc1Br 34a_100000181306_100011218427 [2,0,0,0,0,0|1,0,0]=3 5760 B12R1.125 CC(O)COc1ccccc1Br 7a_100000181306_100011218427 [2,0,0,0,0,0|1,0,0]=3 5761 B12R1.125 CC(O)COc1ccccc1Cl 34a_100000210172_100011218427 [2,0,0,0,0,0|1,0,0]=3 5762 B12R1.125 CC(O)COc1ccccc1Cl 7a_100000210172_100011218427 [2,0,0,0,0,0|1,0,0]=3 5763 B12R1.125 CC(O)COc1ccccc1F 34a_100000210171_100011218427 [2,0,0,0,0,0|1,0,0]=3 5764 B12R1.125 CC(O)COc1ccccc1F 7a_100000210171_100011218427 [2,0,0,0,0,0|1,0,0]=3 5765 B12R1.125 CC(O)COc1ccccc1I 34a_100000739446_100011218427 [2,0,0,0,0,0|1,0,0]=3 5766 B12R1.125 CC(O)COc1ccccc1I 7a_100000739446_100011218427 [2,0,0,0,0,0|1,0,0]=3 5767 B12R1.125 CC(O)COc1ccccc1N 34a_100000185747_100011218427 [2,0,0,0,0,0|1,0,0]=3 5768 B12R1.125 CC(O)COc1ccccc1N 7a_100000185747_100011218427 [2,0,0,0,0,0|1,0,0]=3 5769 B12R1.125 CC(O)COc1cccnc1Br 34a_100000744436_100011218427 [2,0,0,0,0,0|2,0,0]=4 5770 B12R1.125 CC(O)COc1cccnc1Br 7a_100000744436_100011218427 [2,0,0,0,0,0|2,0,0]=4 5771 B12R1.125 CC(O)COc1cccnc1Cl 34a_100000757616_100011218427 [2,0,0,0,0,0|2,0,0]=4 5772 B12R1.125 CC(O)COc1cccnc1Cl 7a_100000757616_100011218427 [2,0,0,0,0,0|2,0,0]=4 5773 B12R1.125 CC(O)COc1cccnc1F 34a_100000061740_100011218427 [2,0,0,0,0,0|2,0,0]=4 5774 B12R1.125 CC(O)COc1cccnc1F 7a_100000061740_100011218427 [2,0,0,0,0,0|2,0,0]=4 5775 B12R1.125 CC(O)COc1cccnc1I 34a_100000034122_100011218427 [2,0,0,0,0,0|2,0,0]=4 5776 B12R1.125 CC(O)COc1cccnc1I 7a_100000034122_100011218427 [2,0,0,0,0,0|2,0,0]=4 5777 B12R1.125 CC(O)COc1cccnc1N 34a_100000211975_100011218427 [2,0,0,0,0,0|2,0,0]=4 5778 B12R1.125 CC(O)COc1cccnc1N 7a_100000211975_100011218427 [2,0,0,0,0,0|2,0,0]=4 5779 B12R1.125 CC(O)COc1cccoc1=O 34a_100000077404_100011218427 [2,0,0,0,0,0|1,0,1]=4 5780 B12R1.125 CC(O)COc1cccoc1=O 7a_100000077404_100011218427 [2,0,0,0,0,0|1,0,1]=4 5781 B12R1.125 CC(O)COc1ccncc1Br 34a_100011996408_100011218427 [2,0,0,0,0,0|2,0,0]=4 5782 B12R1.125 CC(O)COc1ccncc1Cl 34a_100011997054_100011218427 [2,0,0,0,0,0|2,0,0]=4 5783 B12R1.125 CC(O)COc1ccncc1F 34a_200000081243_100011218427 [2,0,0,0,0,0|2,0,0]=4 5784 B12R1.125 CC(O)COc1cnccc1Cl 34a_100011996695_100011218427 [2,0,0,0,0,0|2,0,0]=4 5785 B12R1.125 CC(O)COc1cnccc1I 34a_100000050107_100011218427 [2,0,0,0,0,0|2,0,0]=4 5786 B12R1.125 CC(O)COc1cnccc1N 34a_100000753702_100011218427 [2,0,0,0,0,0|2,0,0]=4 5787 B12R1.125 CC(O)COc1coccc1=O 34a_100000060831_100011218427 [2,0,0,0,0,0|1,0,1]=4 5788 B12R1.125 CC(O)COc1ncccc1Cl 34a_100011290957_100011218427 [2,0,0,0,0,0|2,0,0]=4 5789 B12R1.125 CC(O)COc1ncccc1F 34a_100011219419_100011218427 [2,0,0,0,0,0|2,0,0]=4 5790 B12R1.125 CC(O)COc1ncccc1N 34a_100000746358_100011218427 [2,0,0,0,0,0|2,0,0]=4 5791 B12R1.125 CC(O)CSc1cccc[n+]1C 62a_100011218427_100000212160 [2,0,0,0,0,0|1,1,0]=4 5792 B12R1.125 CC(O)CSc1ccccc1Br 62a_100000695589_100011218427 [2,0,0,0,0,0|1,1,0]=4 5793 B12R1.125 CC(O)CSc1ccccc1Br 62a_100011218427_100000695589 [2,0,0,0,0,0|1,1,0]=4 5794 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100000764095_100011218427 [2,0,0,0,0,0|1,1,0]=4 5795 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100011218427_100000764095 [2,0,0,0,0,0|1,1,0]=4 5796 B12R1.125 CC(O)CSc1ccccc1F 62a_100011215700_100011218427 [2,0,0,0,0,0|1,1,0]=4 5797 B12R1.125 CC(O)CSc1ccccc1F 62a_100011218427_100011215700 [2,0,0,0,0,0|1,1,0]=4 5798 B12R1.125 CC(O)CSc1ccccc1N 62a_100000210017_100011218427 [2,0,0,0,0,0|1,1,0]=4 5799 B12R1.125 CC(O)CSc1ccccc1N 62a_100011218427_100000210017 [2,0,0,0,0,0|1,1,0]=4 5800 B12R1.125 CC(O)CSc1ccccc1O 62a_100000739446_100011218427 [2,0,0,0,0,0|0,1,0]=3 5801 B12R1.125 CC(O)CSc1ccccc1O 62a_100011218427_100000739446 [2,0,0,0,0,0|0,1,0]=3 5802 B12R1.125 CC(O)CSc1cccnc1O 62a_100000760158_100011218427 [2,0,0,0,0,0|1,1,0]=4 5803 B12R1.125 CC(O)CSc1cccnc1O 62a_100011218427_100000760158 [2,0,0,0,0,0|1,1,0]=4 5804 B12R1.125 CC(O)CSc1ccncc1O 62a_100009817591_100011218427 [2,0,0,0,0,0|1,1,0]=4 5805 B12R1.125 CC(O)CSc1ccncc1O 62a_100011218427_100009817591 [2,0,0,0,0,0|1,1,0]=4 5806 B12R1.125 CC(O)CSc1ncccc1O 62a_100000034122_100011218427 [2,0,0,0,0,0|1,1,0]=4 5807 B12R1.125 CC(O)CSc1ncccc1O 62a_100011218427_100000034122 [2,0,0,0,0,0|1,1,0]=4 5808 B12R1.125 C[C@@H](O)CNc1ccccc1Br 34a_100000210017_100009817552 [2,0,0,0,0,0|2,0,0]=4 5809 B12R1.125 C[C@@H](O)CNc1ccccc1Cl 34a_100000185783_100009817552 [2,0,0,0,0,0|2,0,0]=4 5810 B12R1.125 C[C@@H](O)CNc1ccccc1F 34a_100000210422_100009817552 [2,0,0,0,0,0|2,0,0]=4 5811 B12R1.125 C[C@@H](O)CNc1ccccc1I 34a_100000210053_100009817552 [2,0,0,0,0,0|2,0,0]=4 5812 B12R1.125 C[C@@H](O)CNc1ccccc1O 34a_100000185747_100009817552 [2,0,0,0,0,0|1,0,0]=3 5813 B12R1.125 C[C@@H](O)COc1cccc[n+]1[O-] 7a_100000211761_100009817552 [2,0,0,0,0,0|1,0,1]=4 5814 B12R1.125 C[C@@H](O)COc1ccccc1Br 34a_100000181306_100009817552 [2,0,0,0,0,0|1,0,0]=3 5815 B12R1.125 C[C@@H](O)COc1ccccc1Br 7a_100000181306_100009817552 [2,0,0,0,0,0|1,0,0]=3 5816 B12R1.125 C[C@@H](O)COc1ccccc1Cl 34a_100000210172_100009817552 [2,0,0,0,0,0|1,0,0]=3 5817 B12R1.125 C[C@@H](O)COc1ccccc1Cl 7a_100000210172_100009817552 [2,0,0,0,0,0|1,0,0]=3 5818 B12R1.125 C[C@@H](O)COc1ccccc1F 34a_100000210171_100009817552 [2,0,0,0,0,0|1,0,0]=3 5819 B12R1.125 C[C@@H](O)COc1ccccc1F 7a_100000210171_100009817552 [2,0,0,0,0,0|1,0,0]=3 5820 B12R1.125 C[C@@H](O)COc1ccccc1I 34a_100000739446_100009817552 [2,0,0,0,0,0|1,0,0]=3 5821 B12R1.125 C[C@@H](O)COc1ccccc1I 7a_100000739446_100009817552 [2,0,0,0,0,0|1,0,0]=3 5822 B12R1.125 C[C@@H](O)COc1ccccc1N 34a_100000185747_100009817552 [2,0,0,0,0,0|1,0,0]=3 5823 B12R1.125 C[C@@H](O)COc1ccccc1N 7a_100000185747_100009817552 [2,0,0,0,0,0|1,0,0]=3 5824 B12R1.125 C[C@@H](O)COc1cccnc1Br 34a_100000744436_100009817552 [2,0,0,0,0,0|2,0,0]=4 5825 B12R1.125 C[C@@H](O)COc1cccnc1Br 7a_100000744436_100009817552 [2,0,0,0,0,0|2,0,0]=4 5826 B12R1.125 C[C@@H](O)COc1cccnc1Cl 34a_100000757616_100009817552 [2,0,0,0,0,0|2,0,0]=4 5827 B12R1.125 C[C@@H](O)COc1cccnc1Cl 7a_100000757616_100009817552 [2,0,0,0,0,0|2,0,0]=4 5828 B12R1.125 C[C@@H](O)COc1cccnc1F 34a_100000061740_100009817552 [2,0,0,0,0,0|2,0,0]=4 5829 B12R1.125 C[C@@H](O)COc1cccnc1F 7a_100000061740_100009817552 [2,0,0,0,0,0|2,0,0]=4 5830 B12R1.125 C[C@@H](O)COc1cccnc1I 34a_100000034122_100009817552 [2,0,0,0,0,0|2,0,0]=4 5831 B12R1.125 C[C@@H](O)COc1cccnc1I 7a_100000034122_100009817552 [2,0,0,0,0,0|2,0,0]=4 5832 B12R1.125 C[C@@H](O)COc1cccnc1N 34a_100000211975_100009817552 [2,0,0,0,0,0|2,0,0]=4 5833 B12R1.125 C[C@@H](O)COc1cccnc1N 7a_100000211975_100009817552 [2,0,0,0,0,0|2,0,0]=4 5834 B12R1.125 C[C@@H](O)COc1cccoc1=O 34a_100000077404_100009817552 [2,0,0,0,0,0|1,0,1]=4 5835 B12R1.125 C[C@@H](O)COc1cccoc1=O 7a_100000077404_100009817552 [2,0,0,0,0,0|1,0,1]=4 5836 B12R1.125 C[C@@H](O)COc1ccncc1Br 34a_100011996408_100009817552 [2,0,0,0,0,0|2,0,0]=4 5837 B12R1.125 C[C@@H](O)COc1ccncc1Cl 34a_100011997054_100009817552 [2,0,0,0,0,0|2,0,0]=4 5838 B12R1.125 C[C@@H](O)COc1ccncc1F 34a_200000081243_100009817552 [2,0,0,0,0,0|2,0,0]=4 5839 B12R1.125 C[C@@H](O)COc1cnccc1Cl 34a_100011996695_100009817552 [2,0,0,0,0,0|2,0,0]=4 5840 B12R1.125 C[C@@H](O)COc1cnccc1I 34a_100000050107_100009817552 [2,0,0,0,0,0|2,0,0]=4 5841 B12R1.125 C[C@@H](O)COc1cnccc1N 34a_100000753702_100009817552 [2,0,0,0,0,0|2,0,0]=4 5842 B12R1.125 C[C@@H](O)COc1coccc1=O 34a_100000060831_100009817552 [2,0,0,0,0,0|1,0,1]=4 5843 B12R1.125 C[C@@H](O)COc1ncccc1Cl 34a_100011290957_100009817552 [2,0,0,0,0,0|2,0,0]=4 5844 B12R1.125 C[C@@H](O)COc1ncccc1F 34a_100011219419_100009817552 [2,0,0,0,0,0|2,0,0]=4 5845 B12R1.125 C[C@@H](O)COc1ncccc1N 34a_100000746358_100009817552 [2,0,0,0,0,0|2,0,0]=4 5846 B12R1.125 C[C@@H](O)CSc1cccc[n+]1C 62a_100009817552_100000212160 [2,0,0,0,0,0|1,1,0]=4 5847 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100000695589_100009817552 [2,0,0,0,0,0|1,1,0]=4 5848 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100009817552_100000695589 [2,0,0,0,0,0|1,1,0]=4 5849 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100000764095_100009817552 [2,0,0,0,0,0|1,1,0]=4 5850 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100009817552_100000764095 [2,0,0,0,0,0|1,1,0]=4 5851 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100009817552_100011215700 [2,0,0,0,0,0|1,1,0]=4 5852 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100011215700_100009817552 [2,0,0,0,0,0|1,1,0]=4 5853 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100000210017_100009817552 [2,0,0,0,0,0|1,1,0]=4 5854 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100009817552_100000210017 [2,0,0,0,0,0|1,1,0]=4 5855 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100000739446_100009817552 [2,0,0,0,0,0|0,1,0]=3 5856 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100009817552_100000739446 [2,0,0,0,0,0|0,1,0]=3 5857 B12R1.125 C[C@@H](O)CSc1cccnc1O 62a_100000760158_100009817552 [2,0,0,0,0,0|1,1,0]=4 5858 B12R1.125 C[C@@H](O)CSc1cccnc1O 62a_100009817552_100000760158 [2,0,0,0,0,0|1,1,0]=4 5859 B12R1.125 C[C@@H](O)CSc1ccncc1O 62a_100009817552_100009817591 [2,0,0,0,0,0|1,1,0]=4 5860 B12R1.125 C[C@@H](O)CSc1ccncc1O 62a_100009817591_100009817552 [2,0,0,0,0,0|1,1,0]=4 5861 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100000034122_100009817552 [2,0,0,0,0,0|1,1,0]=4 5862 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100009817552_100000034122 [2,0,0,0,0,0|1,1,0]=4 5863 B12R1.125 Cc1ccccc1C=CC(C)O 271570a_200011019289_100000210755 [2,0,0,0,0,0|1,0,1]=4 5864 B12R1.125 Cc1ccccc1NCC(C)C 34a_100015192222_100000210624 [2,0,0,0,0,0|2,0,0]=4 5865 B12R1.125 Cc1ccccc1NCC(C)O 34a_100015192222_100011218427 [2,0,0,0,0,0|1,0,0]=3 5866 B12R1.125 Cc1ccccc1NC[C@@H](C)O 34a_100015192222_100009817552 [2,0,0,0,0,0|1,0,0]=3 5867 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [2,0,0,0,0,0|0,0,2]=4 5868 B12R1.125 Cc1ccccc1OCC(C)C 34a_100000210338_100000210624 [2,0,0,0,0,0|1,0,0]=3 5869 B12R1.125 Cc1ccccc1OCC(C)C 7a_100000210338_100000210760 [2,0,0,0,0,0|1,0,0]=3 5870 B12R1.125 Cc1ccccc1OCC(C)O 34a_100000210338_100011218427 [2,0,0,0,0,0|0,0,0]=2 5871 B12R1.125 Cc1ccccc1OCC(C)O 7a_100000210338_100011218427 [2,0,0,0,0,0|0,0,0]=2 5872 B12R1.125 Cc1ccccc1OCC(F)F 34a_100000210338_100011934356 [2,0,0,0,0,0|2,0,0]=4 5873 B12R1.125 Cc1ccccc1OCC(F)F 7a_100000210338_100011934356 [2,0,0,0,0,0|2,0,0]=4 5874 B12R1.125 Cc1ccccc1OC[C@@H](C)O 34a_100000210338_100009817552 [2,0,0,0,0,0|0,0,0]=2 5875 B12R1.125 Cc1ccccc1OC[C@@H](C)O 7a_100000210338_100009817552 [2,0,0,0,0,0|0,0,0]=2 5876 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210624_100000210755 [2,0,0,0,0,0|1,1,0]=4 5877 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210755_100000210760 [2,0,0,0,0,0|1,1,0]=4 5878 B12R1.125 Cc1ccccc1SCC(C)O 62a_100000210755_100011218427 [2,0,0,0,0,0|0,1,0]=3 5879 B12R1.125 Cc1ccccc1SCC(C)O 62a_100011218427_100000210755 [2,0,0,0,0,0|0,1,0]=3 5880 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100000210755_100009817552 [2,0,0,0,0,0|0,1,0]=3 5881 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100009817552_100000210755 [2,0,0,0,0,0|0,1,0]=3 5882 B12R1.125 Cc1cccnc1SCC(C)O 62a_100000751373_100011218427 [2,0,0,0,0,0|1,1,0]=4 5883 B12R1.125 Cc1cccnc1SCC(C)O 62a_100011218427_100000751373 [2,0,0,0,0,0|1,1,0]=4 5884 B12R1.125 Cc1cccnc1SC[C@@H](C)O 62a_100000751373_100009817552 [2,0,0,0,0,0|1,1,0]=4 5885 B12R1.125 Cc1cccnc1SC[C@@H](C)O 62a_100009817552_100000751373 [2,0,0,0,0,0|1,1,0]=4 5886 B12R1.125 Cc1ccncc1OCC(C)C 34a_100011997053_100000210624 [2,0,0,0,0,0|2,0,0]=4 5887 B12R1.125 Cc1ccncc1OCC(C)C 7a_100011997053_100000210760 [2,0,0,0,0,0|2,0,0]=4 5888 B12R1.125 Cc1ccncc1OCC(C)O 34a_100011997053_100011218427 [2,0,0,0,0,0|1,0,0]=3 5889 B12R1.125 Cc1ccncc1OCC(C)O 7a_100011997053_100011218427 [2,0,0,0,0,0|1,0,0]=3 5890 B12R1.125 Cc1ccncc1OC[C@@H](C)O 34a_100011997053_100009817552 [2,0,0,0,0,0|1,0,0]=3 5891 B12R1.125 Cc1ccncc1OC[C@@H](C)O 7a_100011997053_100009817552 [2,0,0,0,0,0|1,0,0]=3 5892 B12R1.125 Cc1ccncc1SCC(C)O 62a_100000761580_100011218427 [2,0,0,0,0,0|1,1,0]=4 5893 B12R1.125 Cc1ccncc1SCC(C)O 62a_100011218427_100000761580 [2,0,0,0,0,0|1,1,0]=4 5894 B12R1.125 Cc1ccncc1SC[C@@H](C)O 62a_100000761580_100009817552 [2,0,0,0,0,0|1,1,0]=4 5895 B12R1.125 Cc1ccncc1SC[C@@H](C)O 62a_100009817552_100000761580 [2,0,0,0,0,0|1,1,0]=4 5896 B12R1.125 Cc1cnccc1NCC(C)O 27a_100000210904_100000765111 [2,0,0,0,0,0|2,0,0]=4 5897 B12R1.125 Cc1cnccc1OCC(C)C 34a_100000694293_100000210624 [2,0,0,0,0,0|2,0,0]=4 5898 B12R1.125 Cc1cnccc1OCC(C)O 34a_100000694293_100011218427 [2,0,0,0,0,0|1,0,0]=3 5899 B12R1.125 Cc1cnccc1OC[C@@H](C)O 34a_100000694293_100009817552 [2,0,0,0,0,0|1,0,0]=3 5900 B12R1.125 Cc1cnccc1SCC(C)O 62a_100000765111_100011218427 [2,0,0,0,0,0|1,1,0]=4 5901 B12R1.125 Cc1cnccc1SCC(C)O 62a_100011218427_100000765111 [2,0,0,0,0,0|1,1,0]=4 5902 B12R1.125 Cc1cnccc1SC[C@@H](C)O 62a_100000765111_100009817552 [2,0,0,0,0,0|1,1,0]=4 5903 B12R1.125 Cc1cnccc1SC[C@@H](C)O 62a_100009817552_100000765111 [2,0,0,0,0,0|1,1,0]=4 5904 B12R1.125 Cc1ncccc1OCC(C)C 34a_100000745507_100000210624 [2,0,0,0,0,0|2,0,0]=4 5905 B12R1.125 Cc1ncccc1OCC(C)C 7a_100000745507_100000210760 [2,0,0,0,0,0|2,0,0]=4 5906 B12R1.125 Cc1ncccc1OCC(C)O 34a_100000745507_100011218427 [2,0,0,0,0,0|1,0,0]=3 5907 B12R1.125 Cc1ncccc1OCC(C)O 7a_100000745507_100011218427 [2,0,0,0,0,0|1,0,0]=3 5908 B12R1.125 Cc1ncccc1OC[C@@H](C)O 34a_100000745507_100009817552 [2,0,0,0,0,0|1,0,0]=3 5909 B12R1.125 Cc1ncccc1OC[C@@H](C)O 7a_100000745507_100009817552 [2,0,0,0,0,0|1,0,0]=3 5910 B12R1.125 Cc1ncccc1SCC(C)O 62a_100000751574_100011218427 [2,0,0,0,0,0|1,1,0]=4 5911 B12R1.125 Cc1ncccc1SCC(C)O 62a_100011218427_100000751574 [2,0,0,0,0,0|1,1,0]=4 5912 B12R1.125 Cc1ncccc1SC[C@@H](C)O 62a_100000751574_100009817552 [2,0,0,0,0,0|1,1,0]=4 5913 B12R1.125 Cc1ncccc1SC[C@@H](C)O 62a_100009817552_100000751574 [2,0,0,0,0,0|1,1,0]=4 5914 B12R1.125 Cc1nccnc1OCC(C)O 34a_100000766352_100011218427 [2,0,0,0,0,0|2,0,0]=4 5915 B12R1.125 Cc1nccnc1OC[C@@H](C)O 34a_100000766352_100009817552 [2,0,0,0,0,0|2,0,0]=4 5916 B12R1.125 Oc1ccccc1OCC(F)F 271570a_203496583355_100000692002 [2,0,0,0,0,0|2,0,0]=4 5917 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [2,0,0,0,0,0|0,0,2]=4 5918 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [2,0,0,0,0,0|1,0,1]=4 5919 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [2,0,0,0,0,0|1,0,1]=4 5920 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [2,0,0,0,0,0|2,0,0]=4 5921 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [2,0,0,0,0,0|2,0,0]=4 5922 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [2,0,0,0,0,0|2,0,0]=4 5923 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [2,0,0,0,0,0|1,0,0]=3 5924 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [2,0,0,0,0,0|1,0,0]=3 5925 B12R1.27 CCC(O)COc1cccnc1 34a_100000210849_100011218378 [2,0,0,0,0,0|2,0,0]=4 5926 B12R1.27 CCC(O)COc1cccnc1 7a_100000210849_100011218378 [2,0,0,0,0,0|2,0,0]=4 5927 B12R1.27 CCC(O)COc1ccncc1 34a_100000212176_100011218378 [2,0,0,0,0,0|2,0,0]=4 5928 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [2,0,0,0,0,0|1,1,0]=4 5929 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [2,0,0,0,0,0|1,1,0]=4 5930 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [2,0,0,0,0,0|2,0,0]=4 5931 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [2,0,0,0,0,0|2,0,0]=4 5932 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [2,0,0,0,0,0|2,0,0]=4 5933 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [2,0,0,0,0,0|1,0,0]=3 5934 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [2,0,0,0,0,0|1,0,0]=3 5935 B12R1.27 C[C@@H](CO)COc1cccnc1 34a_100000210849_100000059175 [2,0,0,0,0,0|2,0,0]=4 5936 B12R1.27 C[C@@H](CO)COc1cccnc1 7a_100000210849_100000059175 [2,0,0,0,0,0|2,0,0]=4 5937 B12R1.27 C[C@@H](CO)COc1ccncc1 34a_100000212176_100000059175 [2,0,0,0,0,0|2,0,0]=4 5938 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [2,0,0,0,0,0|1,1,0]=4 5939 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [2,0,0,0,0,0|1,1,0]=4 5940 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [2,0,0,0,0,0|1,0,0]=3 5941 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [2,0,0,0,0,0|0,0,0]=2 5942 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [2,0,0,0,0,0|0,0,0]=2 5943 B12R1.27 OCC(O)COc1cccnc1 34a_100000210849_100011219619 [2,0,0,0,0,0|1,0,0]=3 5944 B12R1.27 OCC(O)COc1cccnc1 7a_100000210849_100011219619 [2,0,0,0,0,0|1,0,0]=3 5945 B12R1.27 OCC(O)COc1ccncc1 34a_100000212176_100011219619 [2,0,0,0,0,0|1,0,0]=3 5946 B12R1.27 OCC(O)COc1ccnnc1 34a_100015204005_100011219619 [2,0,0,0,0,0|2,0,0]=4 5947 B12R1.27 OCC(O)COc1cncnc1 7a_100000754086_100011219619 [2,0,0,0,0,0|2,0,0]=4 5948 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [2,0,0,0,0,0|0,1,0]=3 5949 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [2,0,0,0,0,0|0,1,0]=3 5950 B12R1.27 OCC(O)CSc1ccccn1 62a_100011216584_100011219619 [2,0,0,0,0,0|1,1,0]=4 5951 B12R1.27 OCC(O)CSc1ccccn1 62a_100011219619_100011216584 [2,0,0,0,0,0|1,1,0]=4 5952 B12R1.27 OCC(O)CSc1cccnc1 62a_100000210063_100011219619 [2,0,0,0,0,0|1,1,0]=4 5953 B12R1.27 OCC(O)CSc1cccnc1 62a_100011219619_100000210063 [2,0,0,0,0,0|1,1,0]=4 5954 B12R1.27 OCC(O)CSc1ccncc1 62a_100000728582_100011219619 [2,0,0,0,0,0|1,1,0]=4 5955 B12R1.27 OCC(O)CSc1ccncc1 62a_100011219619_100000728582 [2,0,0,0,0,0|1,1,0]=4 5956 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [2,0,0,0,0,0|1,0,0]=3 5957 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [2,0,0,0,0,0|0,0,0]=2 5958 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [2,0,0,0,0,0|0,0,0]=2 5959 B12R1.27 OC[C@H](O)COc1cccnc1 34a_100000210849_100009815848 [2,0,0,0,0,0|1,0,0]=3 5960 B12R1.27 OC[C@H](O)COc1cccnc1 7a_100000210849_100009815848 [2,0,0,0,0,0|1,0,0]=3 5961 B12R1.27 OC[C@H](O)COc1ccncc1 34a_100000212176_100009815848 [2,0,0,0,0,0|1,0,0]=3 5962 B12R1.27 OC[C@H](O)COc1ccnnc1 34a_100015204005_100009815848 [2,0,0,0,0,0|2,0,0]=4 5963 B12R1.27 OC[C@H](O)COc1cncnc1 7a_100000754086_100009815848 [2,0,0,0,0,0|2,0,0]=4 5964 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [2,0,0,0,0,0|0,1,0]=3 5965 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [2,0,0,0,0,0|0,1,0]=3 5966 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100009815848_100011216584 [2,0,0,0,0,0|1,1,0]=4 5967 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100011216584_100009815848 [2,0,0,0,0,0|1,1,0]=4 5968 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100000210063_100009815848 [2,0,0,0,0,0|1,1,0]=4 5969 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100009815848_100000210063 [2,0,0,0,0,0|1,1,0]=4 5970 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100000728582_100009815848 [2,0,0,0,0,0|1,1,0]=4 5971 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100009815848_100000728582 [2,0,0,0,0,0|1,1,0]=4 5972 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [2,0,0,0,0,0|2,0,0]=4 5973 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [2,0,0,0,0,0|1,0,0]=3 5974 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [2,0,0,0,0,0|1,0,0]=3 5975 B12R1.27 O[C@@H](CF)COc1cccnc1 34a_100000210849_100015614560 [2,0,0,0,0,0|2,0,0]=4 5976 B12R1.27 O[C@@H](CF)COc1cccnc1 7a_100000210849_100015614560 [2,0,0,0,0,0|2,0,0]=4 5977 B12R1.27 O[C@@H](CF)COc1ccncc1 34a_100000212176_100015614560 [2,0,0,0,0,0|2,0,0]=4 5978 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [2,0,0,0,0,0|1,1,0]=4 5979 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [2,0,0,0,0,0|1,1,0]=4 5980 B14R1.96 C#Cc1ccccc1OCCC(C)O 34a_200011470546_100012276601 [1,1,0,0,0,0|1,0,1]=4 5981 B14R1.96 C#Cc1ccccc1OCCC(C)O 7a_200011470546_100012276601 [1,1,0,0,0,0|1,0,1]=4 5982 B14R1.96 C=C(C)CCOc1ccccc1OC 34a_100000210385_100000730704 [1,1,0,0,0,0|1,0,1]=4 5983 B14R1.96 CC(O)CCOc1ccccc1C#N 34a_100000211048_100012276601 [1,1,0,0,0,0|2,0,0]=4 5984 B14R1.96 CC(O)CCOc1ccccc1C#N 7a_100000211048_100012276601 [1,1,0,0,0,0|2,0,0]=4 5985 B14R1.96 CC(O)CCOc1ccccc1CN 34a_100000185550_100012276601 [1,1,0,0,0,0|2,0,0]=4 5986 B14R1.96 CC(O)CCOc1ccccc1CO 34a_100011216872_100012276601 [1,1,0,0,0,0|2,0,0]=4 5987 B14R1.96 CCc1ccccc1NCCC(C)O 2230a_100000212081_100012276601 [1,1,0,0,0,0|2,0,0]=4 5988 B14R1.96 CCc1ccccc1NCCC(C)O 34a_100000212081_100012276601 [1,1,0,0,0,0|2,0,0]=4 5989 B14R1.96 CCc1ccccc1NCCC(C)O 7a_100000212081_100012276601 [1,1,0,0,0,0|2,0,0]=4 5990 B14R1.96 CCc1ccccc1OCCC(C)C 34a_100000210936_100000210312 [1,1,0,0,0,0|2,0,0]=4 5991 B14R1.96 CCc1ccccc1OCCC(C)C 7a_100000210936_100000210626 [1,1,0,0,0,0|2,0,0]=4 5992 B14R1.96 CCc1ccccc1OCCC(C)O 34a_100000210936_100012276601 [1,1,0,0,0,0|1,0,0]=3 5993 B14R1.96 CCc1ccccc1OCCC(C)O 7a_100000210936_100012276601 [1,1,0,0,0,0|1,0,0]=3 5994 B14R1.96 CCc1ccccc1SCCC(C)O 62a_100011215823_100012276601 [1,1,0,0,0,0|1,1,0]=4 5995 B14R1.96 CCc1ccccc1SCCC(C)O 62a_100012276601_100011215823 [1,1,0,0,0,0|1,1,0]=4 5996 B14R1.96 CNc1ccccc1OCCC(C)C 34a_100000033821_100000210312 [1,1,0,0,0,0|2,0,0]=4 5997 B14R1.96 CNc1ccccc1OCCC(C)O 34a_100000033821_100012276601 [1,1,0,0,0,0|1,0,0]=3 5998 B14R1.96 CNc1ccccc1SCCC(C)O 62a_100012276601_100020606079 [1,1,0,0,0,0|1,1,0]=4 5999 B14R1.96 CNc1ccccc1SCCC(C)O 62a_100020606079_100012276601 [1,1,0,0,0,0|1,1,0]=4 6000 B14R1.96 COc1ccccc1CNCC(C)O 207a_100000210904_100000169842 [1,1,0,0,0,0|2,0,0]=4 6001 B14R1.96 COc1ccccc1CNCC(C)O 2230a_100000210904_100000210004 [1,1,0,0,0,0|2,0,0]=4 6002 B14R1.96 COc1ccccc1CNCC(C)O 270004a_100000210904_100000169842 [1,1,0,0,0,0|2,0,0]=4 6003 B14R1.96 COc1ccccc1CNCC(C)O 34a_100000188900_100011218427 [1,1,0,0,0,0|2,0,0]=4 6004 B14R1.96 COc1ccccc1CNCC(C)O 34a_100000210904_100000210004 [1,1,0,0,0,0|2,0,0]=4 6005 B14R1.96 COc1ccccc1CNC[C@@H](C)O 34a_100000188900_100009817552 [1,1,0,0,0,0|2,0,0]=4 6006 B14R1.96 COc1ccccc1COCC(C)O 34a_100000211301_100011218427 [1,1,0,0,0,0|2,0,0]=4 6007 B14R1.96 COc1ccccc1COC[C@@H](C)O 34a_100000211301_100009817552 [1,1,0,0,0,0|2,0,0]=4 6008 B14R1.96 COc1ccccc1CSCC(C)O 62a_100000210004_100011218427 [1,1,0,0,0,0|2,0,0]=4 6009 B14R1.96 COc1ccccc1CSCC(C)O 62a_100011218427_100000210004 [1,1,0,0,0,0|2,0,0]=4 6010 B14R1.96 COc1ccccc1CSC[C@@H](C)O 62a_100000210004_100009817552 [1,1,0,0,0,0|2,0,0]=4 6011 B14R1.96 COc1ccccc1CSC[C@@H](C)O 62a_100009817552_100000210004 [1,1,0,0,0,0|2,0,0]=4 6012 B14R1.96 COc1ccccc1NCCC(C)C 34a_100000210025_100000210312 [1,1,0,0,0,0|2,0,0]=4 6013 B14R1.96 COc1ccccc1NCCC(C)O 34a_100000210025_100012276601 [1,1,0,0,0,0|1,0,0]=3 6014 B14R1.96 COc1ccccc1OCCC(=O)C 1458a_100000070787_100000188471 [1,1,0,0,0,0|0,0,2]=4 6015 B14R1.96 COc1ccccc1OCCC(=O)C 1458a_100000182669_200000210301 [1,1,0,0,0,0|0,0,2]=4 6016 B14R1.96 COc1ccccc1OCCC(=O)N 34a_100000210385_100000731001 [1,1,0,0,0,0|0,0,2]=4 6017 B14R1.96 COc1ccccc1OCCC(=O)[13CH3] 1458a_100000182669_200025704644 [1,1,0,0,0,0|0,0,2]=4 6018 B14R1.96 COc1ccccc1OCCC(C)C 34a_100000210385_100000210312 [1,1,0,0,0,0|1,0,0]=3 6019 B14R1.96 COc1ccccc1OCCC(C)O 34a_100000210385_100012276601 [1,1,0,0,0,0|0,0,0]=2 6020 B14R1.96 COc1ccccc1OCCN(C)C 2230a_100000228778_200000210301 [1,1,0,0,0,0|2,0,0]=4 6021 B14R1.96 COc1ccccc1OCCN(C)C 2230a_100102631434_100000188471 [1,1,0,0,0,0|2,0,0]=4 6022 B14R1.96 COc1ccccc1OCCN(C)C 269982a_100000228778_200000210301 [1,1,0,0,0,0|2,0,0]=4 6023 B14R1.96 COc1ccccc1OCCN(C)C 269982a_100102631434_100000188471 [1,1,0,0,0,0|2,0,0]=4 6024 B14R1.96 COc1ccccc1OCCN(C)[13CH3] 2230a_100000228778_200025704644 [1,1,0,0,0,0|2,0,0]=4 6025 B14R1.96 COc1ccccc1OCCN(C)[13CH3] 269982a_100000228778_200025704644 [1,1,0,0,0,0|2,0,0]=4 6026 B14R1.96 COc1ccccc1OCOC(C)C 34a_100000210385_100000709892 [1,1,0,0,0,0|2,0,0]=4 6027 B14R1.96 COc1ccccc1SCCC(C)C 62a_100000210312_100000210334 [1,1,0,0,0,0|1,1,0]=4 6028 B14R1.96 COc1ccccc1SCCC(C)C 62a_100000210334_100000210312 [1,1,0,0,0,0|1,1,0]=4 6029 B14R1.96 COc1ccccc1SCCC(C)O 62a_100000210334_100012276601 [1,1,0,0,0,0|0,1,0]=3 6030 B14R1.96 COc1ccccc1SCCC(C)O 62a_100012276601_100000210334 [1,1,0,0,0,0|0,1,0]=3 6031 B14R1.96 COc1cccnc1OCCC(C)C 34a_100025773188_100000210312 [1,1,0,0,0,0|2,0,0]=4 6032 B14R1.96 COc1cccnc1OCCC(C)O 34a_100025773188_100012276601 [1,1,0,0,0,0|1,0,0]=3 6033 B14R1.96 COc1cccnc1SCCC(C)O 62a_100000767102_100012276601 [1,1,0,0,0,0|1,1,0]=4 6034 B14R1.96 COc1cccnc1SCCC(C)O 62a_100012276601_100000690851 [1,1,0,0,0,0|1,1,0]=4 6035 B14R1.96 COc1ccncc1OCCC(C)C 34a_100000101186_100000210312 [1,1,0,0,0,0|2,0,0]=4 6036 B14R1.96 COc1ccncc1OCCC(C)O 34a_100000101186_100012276601 [1,1,0,0,0,0|1,0,0]=3 6037 B14R1.96 COc1ccncc1SCCC(C)O 62a_100011997281_100012276601 [1,1,0,0,0,0|1,1,0]=4 6038 B14R1.96 COc1ccncc1SCCC(C)O 62a_100012276601_100011997281 [1,1,0,0,0,0|1,1,0]=4 6039 B14R1.96 COc1cnccc1SCCC(C)O 62a_100012276601_100016988167 [1,1,0,0,0,0|1,1,0]=4 6040 B14R1.96 COc1cnccc1SCCC(C)O 62a_100016988167_100012276601 [1,1,0,0,0,0|1,1,0]=4 6041 B14R1.96 COc1ncccc1OCCC(C)C 34a_100000698397_100000210312 [1,1,0,0,0,0|2,0,0]=4 6042 B14R1.96 COc1ncccc1OCCC(C)C 7a_100000698397_100000210626 [1,1,0,0,0,0|2,0,0]=4 6043 B14R1.96 COc1ncccc1OCCC(C)O 34a_100000698397_100012276601 [1,1,0,0,0,0|1,0,0]=3 6044 B14R1.96 COc1ncccc1OCCC(C)O 7a_100000698397_100012276601 [1,1,0,0,0,0|1,0,0]=3 6045 B14R1.96 COc1ncccc1SCCC(C)O 62a_100000047025_100012276601 [1,1,0,0,0,0|1,1,0]=4 6046 B14R1.96 COc1ncccc1SCCC(C)O 62a_100012276601_100000047025 [1,1,0,0,0,0|1,1,0]=4 6047 B14R1.96 CSc1ccccc1NCCC(C)O 34a_100000211160_100012276601 [1,1,0,0,0,0|1,1,0]=4 6048 B14R1.96 CSc1ccccc1OCCC(C)C 34a_100011216402_100000210312 [1,1,0,0,0,0|1,1,0]=4 6049 B14R1.96 CSc1ccccc1OCCC(C)O 34a_100011216402_100012276601 [1,1,0,0,0,0|0,1,0]=3 6050 B14R1.96 CSc1ccccc1SCCC(C)O 62a_100011217816_100012276601 [1,1,0,0,0,0|0,2,0]=4 6051 B14R1.96 CSc1ccccc1SCCC(C)O 62a_100012276601_100011217816 [1,1,0,0,0,0|0,2,0]=4 6052 B14R1.461 C#CCCOc1ccc(cc1OC)Br 34a_100000694246_100000688953 [1,1,0,0,0,0|1,0,1]=4 6053 B14R1.461 C#CCCOc1ccc(cc1OC)Br 7a_100000694246_100000688953 [1,1,0,0,0,0|1,0,1]=4 6054 B14R1.461 C#CCCOc1ccc(cc1OC)C 34a_100000186466_100000688953 [1,1,0,0,0,0|1,0,1]=4 6055 B14R1.461 C#CCCOc1ccc(cc1OC)Cl 34a_100000033002_100000688953 [1,1,0,0,0,0|1,0,1]=4 6056 B14R1.461 C#CCCOc1ccc(cc1OC)F 34a_100000036057_100000688953 [1,1,0,0,0,0|1,0,1]=4 6057 B14R1.461 C#CCCOc1ccc(cc1OC)F 7a_100000036057_100000688953 [1,1,0,0,0,0|1,0,1]=4 6058 B14R1.461 C#CCCOc1ccc(cc1OC)I 34a_100000049635_100000688953 [1,1,0,0,0,0|1,0,1]=4 6059 B14R1.461 C#CCCOc1ccc(cc1OC)N 34a_100000726020_100000688953 [1,1,0,0,0,0|1,0,1]=4 6060 B14R1.461 C=CCCOc1ccc(cc1OC)Br 34a_100000694246_100000754431 [1,1,0,0,0,0|1,0,1]=4 6061 B14R1.461 C=CCCOc1ccc(cc1OC)Br 7a_100000694246_100000754431 [1,1,0,0,0,0|1,0,1]=4 6062 B14R1.461 C=CCCOc1ccc(cc1OC)C 34a_100000186466_100000754431 [1,1,0,0,0,0|1,0,1]=4 6063 B14R1.461 C=CCCOc1ccc(cc1OC)Cl 34a_100000033002_100000754431 [1,1,0,0,0,0|1,0,1]=4 6064 B14R1.461 C=CCCOc1ccc(cc1OC)F 34a_100000036057_100000754431 [1,1,0,0,0,0|1,0,1]=4 6065 B14R1.461 C=CCCOc1ccc(cc1OC)F 7a_100000036057_100000754431 [1,1,0,0,0,0|1,0,1]=4 6066 B14R1.461 C=CCCOc1ccc(cc1OC)I 34a_100000049635_100000754431 [1,1,0,0,0,0|1,0,1]=4 6067 B14R1.461 C=CCCOc1ccc(cc1OC)N 34a_100000726020_100000754431 [1,1,0,0,0,0|1,0,1]=4 6068 B14R1.461 CCCCCc1ccc(cc1OC)C 34a_100000058632_200000210301 [1,1,0,0,0,0|2,0,0]=4 6069 B14R1.461 CCCCCc1ccc(cc1OC)C 7a_100000058632_200000210301 [1,1,0,0,0,0|2,0,0]=4 6070 B14R1.461 CCCCCc1ccc(cc1O[13CH3])C 34a_100000058632_200025704644 [1,1,0,0,0,0|2,0,0]=4 6071 B14R1.461 CCCCCc1ccc(cc1O[13CH3])C 7a_100000058632_200025704644 [1,1,0,0,0,0|2,0,0]=4 6072 B14R1.461 CCCCNc1ccc(cc1OC)Br 34a_100011279103_100000210210 [1,1,0,0,0,0|2,0,0]=4 6073 B14R1.461 CCCCNc1ccc(cc1OC)C 2230a_100000746441_100000210211 [1,1,0,0,0,0|2,0,0]=4 6074 B14R1.461 CCCCNc1ccc(cc1OC)C 34a_100000746441_100000210210 [1,1,0,0,0,0|2,0,0]=4 6075 B14R1.461 CCCCNc1ccc(cc1OC)Cl 34a_100000707585_100000210210 [1,1,0,0,0,0|2,0,0]=4 6076 B14R1.461 CCCCNc1ccc(cc1OC)F 34a_100000737216_100000210210 [1,1,0,0,0,0|2,0,0]=4 6077 B14R1.461 CCCCNc1ccc(cc1OC)I 34a_100015196925_100000210210 [1,1,0,0,0,0|2,0,0]=4 6078 B14R1.461 CCCCNc1ccc(cc1OC)O 34a_100015326901_100000210210 [1,1,0,0,0,0|2,0,0]=4 6079 B14R1.461 CCCCOc1ccc(cc1CC)Br 34a_100012338938_100000210210 [1,1,0,0,0,0|2,0,0]=4 6080 B14R1.461 CCCCOc1ccc(cc1CC)Br 7a_100012338938_100000210211 [1,1,0,0,0,0|2,0,0]=4 6081 B14R1.461 CCCCOc1ccc(cc1CC)C 34a_100009844793_100000210210 [1,1,0,0,0,0|2,0,0]=4 6082 B14R1.461 CCCCOc1ccc(cc1CC)C 7a_100009844793_100000210211 [1,1,0,0,0,0|2,0,0]=4 6083 B14R1.461 CCCCOc1ccc(cc1CC)F 34a_200000035566_100000210210 [1,1,0,0,0,0|2,0,0]=4 6084 B14R1.461 CCCCOc1ccc(cc1CC)F 7a_200000035566_100000210211 [1,1,0,0,0,0|2,0,0]=4 6085 B14R1.461 CCCCOc1ccc(cc1NC)F 27a_100102657272_200000205391 [1,1,0,0,0,0|2,0,0]=4 6086 B14R1.461 CCCCOc1ccc(cc1OC)Br 34a_100000694246_100000210210 [1,1,0,0,0,0|1,0,0]=3 6087 B14R1.461 CCCCOc1ccc(cc1OC)Br 7a_100000694246_100000210211 [1,1,0,0,0,0|1,0,0]=3 6088 B14R1.461 CCCCOc1ccc(cc1OC)C 34a_100000186466_100000210210 [1,1,0,0,0,0|1,0,0]=3 6089 B14R1.461 CCCCOc1ccc(cc1OC)Cl 34a_100000033002_100000210210 [1,1,0,0,0,0|1,0,0]=3 6090 B14R1.461 CCCCOc1ccc(cc1OC)F 34a_100000036057_100000210210 [1,1,0,0,0,0|1,0,0]=3 6091 B14R1.461 CCCCOc1ccc(cc1OC)F 7a_100000036057_100000210211 [1,1,0,0,0,0|1,0,0]=3 6092 B14R1.461 CCCCOc1ccc(cc1OC)I 34a_100000049635_100000210210 [1,1,0,0,0,0|1,0,0]=3 6093 B14R1.461 CCCCOc1ccc(cc1OC)N 34a_100000726020_100000210210 [1,1,0,0,0,0|1,0,0]=3 6094 B14R1.461 CCCCOc1ccc(cc1SC)F 62a_200000205391_200000210301 [1,1,0,0,0,0|1,1,0]=4 6095 B14R1.461 CCCCOc1ccc(cc1SC)F 62a_200000210301_200000205391 [1,1,0,0,0,0|1,1,0]=4 6096 B14R1.461 CCCCOc1ccc(cc1S[13CH3])F 62a_200000205391_200025704644 [1,1,0,0,0,0|1,1,0]=4 6097 B14R1.461 CCCCOc1ccc(cc1S[13CH3])F 62a_200025704644_200000205391 [1,1,0,0,0,0|1,1,0]=4 6098 B14R1.461 CCCCOc1ccc(nc1OC)Br 34a_100010893133_100000210210 [1,1,0,0,0,0|2,0,0]=4 6099 B14R1.461 CCCCOc1ncc(cc1OC)Cl 34a_200009845368_100000210210 [1,1,0,0,0,0|2,0,0]=4 6100 B14R1.461 CCCCSc1ccc(cc1OC)Br 62a_100000210211_100010245111 [1,1,0,0,0,0|1,1,0]=4 6101 B14R1.461 CCCCSc1ccc(cc1OC)Br 62a_100010245111_100000210210 [1,1,0,0,0,0|1,1,0]=4 6102 B14R1.461 CCCCSc1ccc(cc1OC)C 62a_100000210211_100010200004 [1,1,0,0,0,0|1,1,0]=4 6103 B14R1.461 CCCCSc1ccc(cc1OC)C 62a_100010200004_100000210210 [1,1,0,0,0,0|1,1,0]=4 6104 B14R1.461 CCCCSc1ccc(cc1OC)Cl 62a_100000050115_100000210210 [1,1,0,0,0,0|1,1,0]=4 6105 B14R1.461 CCCCSc1ccc(cc1OC)Cl 62a_100000210211_100000050115 [1,1,0,0,0,0|1,1,0]=4 6106 B14R1.461 CCCCSc1ccc(cc1OC)F 62a_100000210211_100000757151 [1,1,0,0,0,0|1,1,0]=4 6107 B14R1.461 CCCCSc1ccc(cc1OC)F 62a_100000757151_100000210210 [1,1,0,0,0,0|1,1,0]=4 6108 B14R1.461 CCCCSc1ccc(cc1OC)N 62a_100000210211_100000765947 [1,1,0,0,0,0|1,1,0]=4 6109 B14R1.461 CCCCSc1ccc(cc1OC)N 62a_100000765947_100000210210 [1,1,0,0,0,0|1,1,0]=4 6110 B14R1.461 CCCCSc1ccc(cc1OC)O 62a_100000210211_100011827694 [1,1,0,0,0,0|1,1,0]=4 6111 B14R1.461 CCc1cc(ccc1NCCCO)Br 2230a_100000686106_100000230001 [1,1,0,0,0,0|2,0,0]=4 6112 B14R1.461 CCc1cc(ccc1NCCCO)Br 34a_100000686106_100000230001 [1,1,0,0,0,0|2,0,0]=4 6113 B14R1.461 CCc1cc(ccc1NCCCO)Br 7a_100000686106_100011215043 [1,1,0,0,0,0|2,0,0]=4 6114 B14R1.461 CCc1cc(ccc1NCCCO)Cl 2230a_100012017146_100000230001 [1,1,0,0,0,0|2,0,0]=4 6115 B14R1.461 CCc1cc(ccc1NCCCO)Cl 34a_100012017146_100000230001 [1,1,0,0,0,0|2,0,0]=4 6116 B14R1.461 CCc1cc(ccc1NCCCO)Cl 7a_100012017146_100011215043 [1,1,0,0,0,0|2,0,0]=4 6117 B14R1.461 CCc1cc(ccc1NCCCO)I 2230a_100000014069_100000230001 [1,1,0,0,0,0|2,0,0]=4 6118 B14R1.461 CCc1cc(ccc1NCCCO)I 34a_100000014069_100000230001 [1,1,0,0,0,0|2,0,0]=4 6119 B14R1.461 CCc1cc(ccc1NCCCO)I 7a_100000014069_100011215043 [1,1,0,0,0,0|2,0,0]=4 6120 B14R1.461 CCc1cc(ccc1OCCCF)Br 34a_100012338938_100011934791 [1,1,0,0,0,0|2,0,0]=4 6121 B14R1.461 CCc1cc(ccc1OCCCF)Br 7a_100012338938_100011934791 [1,1,0,0,0,0|2,0,0]=4 6122 B14R1.461 CCc1cc(ccc1OCCCF)C 34a_100009844793_100011934791 [1,1,0,0,0,0|2,0,0]=4 6123 B14R1.461 CCc1cc(ccc1OCCCF)C 7a_100009844793_100011934791 [1,1,0,0,0,0|2,0,0]=4 6124 B14R1.461 CCc1cc(ccc1OCCCF)F 34a_200000035566_100011934791 [1,1,0,0,0,0|2,0,0]=4 6125 B14R1.461 CCc1cc(ccc1OCCCF)F 7a_200000035566_100011934791 [1,1,0,0,0,0|2,0,0]=4 6126 B14R1.461 CCc1cc(ccc1OCCCO)Br 34a_100012338938_100000230001 [1,1,0,0,0,0|1,0,0]=3 6127 B14R1.461 CCc1cc(ccc1OCCCO)Br 7a_100012338938_100011215043 [1,1,0,0,0,0|1,0,0]=3 6128 B14R1.461 CCc1cc(ccc1OCCCO)C 34a_100009844793_100000230001 [1,1,0,0,0,0|1,0,0]=3 6129 B14R1.461 CCc1cc(ccc1OCCCO)C 7a_100009844793_100011215043 [1,1,0,0,0,0|1,0,0]=3 6130 B14R1.461 CCc1cc(ccc1OCCCO)F 34a_200000035566_100000230001 [1,1,0,0,0,0|1,0,0]=3 6131 B14R1.461 CCc1cc(ccc1OCCCO)F 7a_200000035566_100011215043 [1,1,0,0,0,0|1,0,0]=3 6132 B14R1.461 CCc1cc(ccc1SCCCO)Br 62a_100011215043_100011216195 [1,1,0,0,0,0|1,1,0]=4 6133 B14R1.461 CCc1cc(ccc1SCCCO)Br 62a_100011216195_100011215043 [1,1,0,0,0,0|1,1,0]=4 6134 B14R1.461 CCc1cc(ccc1SCCCO)N 62a_100010109747_100011215043 [1,1,0,0,0,0|1,1,0]=4 6135 B14R1.461 CCc1cc(ccc1SCCCO)N 62a_100011215043_100010109747 [1,1,0,0,0,0|1,1,0]=4 6136 B14R1.461 CCc1nc(ccc1OCCCO)C 34a_100000718140_100000230001 [1,1,0,0,0,0|2,0,0]=4 6137 B14R1.461 CCc1nc(ccc1OCCCO)C 7a_100000718140_100011215043 [1,1,0,0,0,0|2,0,0]=4 6138 B14R1.461 CNCCOc1ccc(cc1OC)C 2230a_106832991635_100011259456 [1,1,0,0,0,0|2,0,0]=4 6139 B14R1.461 CNCCOc1ccc(cc1OC)C 34a_100102657272_100011259456 [1,1,0,0,0,0|2,0,0]=4 6140 B14R1.461 CNCCOc1ccc(cc1OC)C 7a_106832991635_100011259456 [1,1,0,0,0,0|2,0,0]=4 6141 B14R1.461 CNc1cc(ccc1SCCCO)F 62a_100011215043_100020633008 [1,1,0,0,0,0|1,1,0]=4 6142 B14R1.461 CNc1cc(ccc1SCCCO)F 62a_100020633008_100011215043 [1,1,0,0,0,0|1,1,0]=4 6143 B14R1.461 COCCOc1ccc(cc1OC)Br 34a_100000694246_100011201679 [1,1,0,0,0,0|2,0,0]=4 6144 B14R1.461 COCCOc1ccc(cc1OC)Br 34a_100012347953_200000210301 [1,1,0,0,0,0|2,0,0]=4 6145 B14R1.461 COCCOc1ccc(cc1OC)Br 7a_100000694246_100000233755 [1,1,0,0,0,0|2,0,0]=4 6146 B14R1.461 COCCOc1ccc(cc1OC)Br 7a_100012347953_200000210301 [1,1,0,0,0,0|2,0,0]=4 6147 B14R1.461 COCCOc1ccc(cc1OC)C 34a_100000186466_100011201679 [1,1,0,0,0,0|2,0,0]=4 6148 B14R1.461 COCCOc1ccc(cc1OC)C 34a_100138415774_100011259456 [1,1,0,0,0,0|2,0,0]=4 6149 B14R1.461 COCCOc1ccc(cc1OC)Cl 34a_100000033002_100011201679 [1,1,0,0,0,0|2,0,0]=4 6150 B14R1.461 COCCOc1ccc(cc1OC)F 34a_100000036057_100011201679 [1,1,0,0,0,0|2,0,0]=4 6151 B14R1.461 COCCOc1ccc(cc1OC)F 7a_100000036057_100000233755 [1,1,0,0,0,0|2,0,0]=4 6152 B14R1.461 COCCOc1ccc(cc1OC)I 34a_100000049635_100011201679 [1,1,0,0,0,0|2,0,0]=4 6153 B14R1.461 COCCOc1ccc(cc1OC)N 34a_100000726020_100011201679 [1,1,0,0,0,0|2,0,0]=4 6154 B14R1.461 COc1cc(ccc1CNCCO)Br 207a_100000210304_100000697075 [1,1,0,0,0,0|2,0,0]=4 6155 B14R1.461 COc1cc(ccc1CNCCO)Br 2230a_100016997473_100012359436 [1,1,0,0,0,0|2,0,0]=4 6156 B14R1.461 COc1cc(ccc1CNCCO)Br 270004a_100000210304_100000697075 [1,1,0,0,0,0|2,0,0]=4 6157 B14R1.461 COc1cc(ccc1CNCCO)Br 34a_100016990907_100012359436 [1,1,0,0,0,0|2,0,0]=4 6158 B14R1.461 COc1cc(ccc1CNCCO)C 207a_100000210304_100000689369 [1,1,0,0,0,0|2,0,0]=4 6159 B14R1.461 COc1cc(ccc1CNCCO)C 270004a_100000210304_100000689369 [1,1,0,0,0,0|2,0,0]=4 6160 B14R1.461 COc1cc(ccc1CNCCO)Cl 207a_100000210304_100000235374 [1,1,0,0,0,0|2,0,0]=4 6161 B14R1.461 COc1cc(ccc1CNCCO)Cl 270004a_100000210304_100000235374 [1,1,0,0,0,0|2,0,0]=4 6162 B14R1.461 COc1cc(ccc1CNCCO)F 207a_100000210304_100000042785 [1,1,0,0,0,0|2,0,0]=4 6163 B14R1.461 COc1cc(ccc1CNCCO)F 2230a_100016997473_200010171551 [1,1,0,0,0,0|2,0,0]=4 6164 B14R1.461 COc1cc(ccc1CNCCO)F 270004a_100000210304_100000042785 [1,1,0,0,0,0|2,0,0]=4 6165 B14R1.461 COc1cc(ccc1CNCCO)F 34a_100000062129_100000211926 [1,1,0,0,0,0|2,0,0]=4 6166 B14R1.461 COc1cc(ccc1CNCCO)F 34a_100016990907_200010171551 [1,1,0,0,0,0|2,0,0]=4 6167 B14R1.461 COc1cc(ccc1CNCCO)I 207a_100000210304_100010290300 [1,1,0,0,0,0|2,0,0]=4 6168 B14R1.461 COc1cc(ccc1COCCO)Br 34a_100011277633_100000211926 [1,1,0,0,0,0|2,0,0]=4 6169 B14R1.461 COc1cc(ccc1COCCO)Br 7a_100011277633_100000211926 [1,1,0,0,0,0|2,0,0]=4 6170 B14R1.461 COc1cc(ccc1COCCO)C 34a_200012017176_100000211926 [1,1,0,0,0,0|2,0,0]=4 6171 B14R1.461 COc1cc(ccc1COCCO)C 7a_200012017176_100000211926 [1,1,0,0,0,0|2,0,0]=4 6172 B14R1.461 COc1cc(ccc1COCCO)Cl 34a_200011215853_100000211926 [1,1,0,0,0,0|2,0,0]=4 6173 B14R1.461 COc1cc(ccc1COCCO)Cl 7a_200011215853_100000211926 [1,1,0,0,0,0|2,0,0]=4 6174 B14R1.461 COc1cc(ccc1COCCO)F 34a_100000117171_100000211926 [1,1,0,0,0,0|2,0,0]=4 6175 B14R1.461 COc1cc(ccc1COCCO)F 7a_100000117171_100000211926 [1,1,0,0,0,0|2,0,0]=4 6176 B14R1.461 COc1cc(ccc1COCCO)I 34a_100010233823_100000211926 [1,1,0,0,0,0|2,0,0]=4 6177 B14R1.461 COc1cc(ccc1COCCO)I 7a_100010233823_100000211926 [1,1,0,0,0,0|2,0,0]=4 6178 B14R1.461 COc1cc(ccc1COCCO)N 34a_100012183141_100000211926 [1,1,0,0,0,0|2,0,0]=4 6179 B14R1.461 COc1cc(ccc1CSCCO)Br 62a_100000211926_100012359436 [1,1,0,0,0,0|2,0,0]=4 6180 B14R1.461 COc1cc(ccc1CSCCO)Br 62a_100012359436_100000211926 [1,1,0,0,0,0|2,0,0]=4 6181 B14R1.461 COc1cc(ccc1CSCCO)F 62a_100000211926_200010171551 [1,1,0,0,0,0|2,0,0]=4 6182 B14R1.461 COc1cc(ccc1CSCCO)F 62a_200010171551_100000211926 [1,1,0,0,0,0|2,0,0]=4 6183 B14R1.461 COc1cc(ccc1NCCCF)Br 34a_100011279103_100011934791 [1,1,0,0,0,0|2,0,0]=4 6184 B14R1.461 COc1cc(ccc1NCCCF)C 2230a_100000746441_100011934791 [1,1,0,0,0,0|2,0,0]=4 6185 B14R1.461 COc1cc(ccc1NCCCF)C 34a_100000746441_100011934791 [1,1,0,0,0,0|2,0,0]=4 6186 B14R1.461 COc1cc(ccc1NCCCF)Cl 34a_100000707585_100011934791 [1,1,0,0,0,0|2,0,0]=4 6187 B14R1.461 COc1cc(ccc1NCCCF)F 34a_100000737216_100011934791 [1,1,0,0,0,0|2,0,0]=4 6188 B14R1.461 COc1cc(ccc1NCCCF)I 34a_100015196925_100011934791 [1,1,0,0,0,0|2,0,0]=4 6189 B14R1.461 COc1cc(ccc1NCCCF)O 34a_100015326901_100011934791 [1,1,0,0,0,0|2,0,0]=4 6190 B14R1.461 COc1cc(ccc1NCCCO)Br 34a_100011279103_100000230001 [1,1,0,0,0,0|1,0,0]=3 6191 B14R1.461 COc1cc(ccc1NCCCO)C 2230a_100000746441_100000230001 [1,1,0,0,0,0|1,0,0]=3 6192 B14R1.461 COc1cc(ccc1NCCCO)C 34a_100000746441_100000230001 [1,1,0,0,0,0|1,0,0]=3 6193 B14R1.461 COc1cc(ccc1NCCCO)Cl 34a_100000707585_100000230001 [1,1,0,0,0,0|1,0,0]=3 6194 B14R1.461 COc1cc(ccc1NCCCO)F 34a_100000737216_100000230001 [1,1,0,0,0,0|1,0,0]=3 6195 B14R1.461 COc1cc(ccc1NCCCO)I 34a_100015196925_100000230001 [1,1,0,0,0,0|1,0,0]=3 6196 B14R1.461 COc1cc(ccc1NCCCO)O 34a_100015326901_100000230001 [1,1,0,0,0,0|1,0,0]=3 6197 B14R1.461 COc1cc(ccc1OCCC#N)Br 7a_100000694246_100000184422 [1,1,0,0,0,0|1,0,1]=4 6198 B14R1.461 COc1cc(ccc1OCCC#N)F 7a_100000036057_100000184422 [1,1,0,0,0,0|1,0,1]=4 6199 B14R1.461 COc1cc(ccc1OCCCF)Br 34a_100000694246_100011934791 [1,1,0,0,0,0|1,0,0]=3 6200 B14R1.461 COc1cc(ccc1OCCCF)Br 7a_100000694246_100011934791 [1,1,0,0,0,0|1,0,0]=3 6201 B14R1.461 COc1cc(ccc1OCCCF)C 34a_100000186466_100011934791 [1,1,0,0,0,0|1,0,0]=3 6202 B14R1.461 COc1cc(ccc1OCCCF)Cl 34a_100000033002_100011934791 [1,1,0,0,0,0|1,0,0]=3 6203 B14R1.461 COc1cc(ccc1OCCCF)F 34a_100000036057_100011934791 [1,1,0,0,0,0|1,0,0]=3 6204 B14R1.461 COc1cc(ccc1OCCCF)F 7a_100000036057_100011934791 [1,1,0,0,0,0|1,0,0]=3 6205 B14R1.461 COc1cc(ccc1OCCCF)I 34a_100000049635_100011934791 [1,1,0,0,0,0|1,0,0]=3 6206 B14R1.461 COc1cc(ccc1OCCCF)N 34a_100000726020_100011934791 [1,1,0,0,0,0|1,0,0]=3 6207 B14R1.461 COc1cc(ccc1OCCCO)Br 34a_100000694246_100000230001 [1,1,0,0,0,0|0,0,0]=2 6208 B14R1.461 COc1cc(ccc1OCCCO)Br 7a_100000694246_100011215043 [1,1,0,0,0,0|0,0,0]=2 6209 B14R1.461 COc1cc(ccc1OCCCO)C 34a_100000186466_100000230001 [1,1,0,0,0,0|0,0,0]=2 6210 B14R1.461 COc1cc(ccc1OCCCO)Cl 34a_100000033002_100000230001 [1,1,0,0,0,0|0,0,0]=2 6211 B14R1.461 COc1cc(ccc1OCCCO)F 34a_100000036057_100000230001 [1,1,0,0,0,0|0,0,0]=2 6212 B14R1.461 COc1cc(ccc1OCCCO)F 7a_100000036057_100011215043 [1,1,0,0,0,0|0,0,0]=2 6213 B14R1.461 COc1cc(ccc1OCCCO)I 34a_100000049635_100000230001 [1,1,0,0,0,0|0,0,0]=2 6214 B14R1.461 COc1cc(ccc1OCCCO)N 34a_100000726020_100000230001 [1,1,0,0,0,0|0,0,0]=2 6215 B14R1.461 COc1cc(ccc1OCCO[13CH3])Br 34a_100012347953_200025704644 [1,1,0,0,0,0|2,0,0]=4 6216 B14R1.461 COc1cc(ccc1OCCO[13CH3])Br 7a_100012347953_200025704644 [1,1,0,0,0,0|2,0,0]=4 6217 B14R1.461 COc1cc(ccc1OCCSC)Br 34a_100000694246_100000212216 [1,1,0,0,0,0|2,0,0]=4 6218 B14R1.461 COc1cc(ccc1OCCSC)Br 7a_100000694246_100000212216 [1,1,0,0,0,0|2,0,0]=4 6219 B14R1.461 COc1cc(ccc1OCCSC)C 34a_100000186466_100000212216 [1,1,0,0,0,0|2,0,0]=4 6220 B14R1.461 COc1cc(ccc1OCCSC)C 62a_200000210301_100011259456 [1,1,0,0,0,0|2,0,0]=4 6221 B14R1.461 COc1cc(ccc1OCCSC)Cl 34a_100000033002_100000212216 [1,1,0,0,0,0|2,0,0]=4 6222 B14R1.461 COc1cc(ccc1OCCSC)F 34a_100000036057_100000212216 [1,1,0,0,0,0|2,0,0]=4 6223 B14R1.461 COc1cc(ccc1OCCSC)F 7a_100000036057_100000212216 [1,1,0,0,0,0|2,0,0]=4 6224 B14R1.461 COc1cc(ccc1OCCSC)I 34a_100000049635_100000212216 [1,1,0,0,0,0|2,0,0]=4 6225 B14R1.461 COc1cc(ccc1OCCSC)N 34a_100000726020_100000212216 [1,1,0,0,0,0|2,0,0]=4 6226 B14R1.461 COc1cc(ccc1OCCS[13CH3])C 62a_200025704644_100011259456 [1,1,0,0,0,0|2,0,0]=4 6227 B14R1.461 COc1cc(ccc1SCCCF)Br 62a_100010245111_100011934791 [1,1,0,0,0,0|1,1,0]=4 6228 B14R1.461 COc1cc(ccc1SCCCF)Br 62a_100011934791_100010245111 [1,1,0,0,0,0|1,1,0]=4 6229 B14R1.461 COc1cc(ccc1SCCCF)C 62a_100010200004_100011934791 [1,1,0,0,0,0|1,1,0]=4 6230 B14R1.461 COc1cc(ccc1SCCCF)C 62a_100011934791_100010200004 [1,1,0,0,0,0|1,1,0]=4 6231 B14R1.461 COc1cc(ccc1SCCCF)Cl 62a_100000050115_100011934791 [1,1,0,0,0,0|1,1,0]=4 6232 B14R1.461 COc1cc(ccc1SCCCF)Cl 62a_100011934791_100000050115 [1,1,0,0,0,0|1,1,0]=4 6233 B14R1.461 COc1cc(ccc1SCCCF)F 62a_100000757151_100011934791 [1,1,0,0,0,0|1,1,0]=4 6234 B14R1.461 COc1cc(ccc1SCCCF)F 62a_100011934791_100000757151 [1,1,0,0,0,0|1,1,0]=4 6235 B14R1.461 COc1cc(ccc1SCCCF)N 62a_100000765947_100011934791 [1,1,0,0,0,0|1,1,0]=4 6236 B14R1.461 COc1cc(ccc1SCCCF)N 62a_100011934791_100000765947 [1,1,0,0,0,0|1,1,0]=4 6237 B14R1.461 COc1cc(ccc1SCCCF)O 62a_100011934791_100011827694 [1,1,0,0,0,0|1,1,0]=4 6238 B14R1.461 COc1cc(ccc1SCCCO)Br 62a_100010245111_100011215043 [1,1,0,0,0,0|0,1,0]=3 6239 B14R1.461 COc1cc(ccc1SCCCO)Br 62a_100011215043_100010245111 [1,1,0,0,0,0|0,1,0]=3 6240 B14R1.461 COc1cc(ccc1SCCCO)C 62a_100010200004_100011215043 [1,1,0,0,0,0|0,1,0]=3 6241 B14R1.461 COc1cc(ccc1SCCCO)C 62a_100011215043_100010200004 [1,1,0,0,0,0|0,1,0]=3 6242 B14R1.461 COc1cc(ccc1SCCCO)Cl 62a_100000050115_100011215043 [1,1,0,0,0,0|0,1,0]=3 6243 B14R1.461 COc1cc(ccc1SCCCO)Cl 62a_100011215043_100000050115 [1,1,0,0,0,0|0,1,0]=3 6244 B14R1.461 COc1cc(ccc1SCCCO)F 62a_100000757151_100011215043 [1,1,0,0,0,0|0,1,0]=3 6245 B14R1.461 COc1cc(ccc1SCCCO)F 62a_100011215043_100000757151 [1,1,0,0,0,0|0,1,0]=3 6246 B14R1.461 COc1cc(ccc1SCCCO)N 62a_100000765947_100011215043 [1,1,0,0,0,0|0,1,0]=3 6247 B14R1.461 COc1cc(ccc1SCCCO)N 62a_100011215043_100000765947 [1,1,0,0,0,0|0,1,0]=3 6248 B14R1.461 COc1cc(ccc1SCCCO)O 62a_100011215043_100011827694 [1,1,0,0,0,0|0,1,0]=3 6249 B14R1.461 COc1cc(cnc1OCCCF)Cl 34a_200009845368_100011934791 [1,1,0,0,0,0|2,0,0]=4 6250 B14R1.461 COc1cc(cnc1OCCCO)Cl 34a_200009845368_100000230001 [1,1,0,0,0,0|1,0,0]=3 6251 B14R1.461 COc1cc(cnc1SCCCO)C 62a_100011215043_200000118316 [1,1,0,0,0,0|1,1,0]=4 6252 B14R1.461 COc1cc(cnc1SCCCO)F 62a_100010136273_100011215043 [1,1,0,0,0,0|1,1,0]=4 6253 B14R1.461 COc1cc(cnc1SCCCO)F 62a_100011215043_100009867738 [1,1,0,0,0,0|1,1,0]=4 6254 B14R1.461 COc1cc(cnc1SCCCO)N 62a_100011215043_100000097218 [1,1,0,0,0,0|1,1,0]=4 6255 B14R1.461 COc1cc(cnc1SCCCO)N 62a_200010291755_100011215043 [1,1,0,0,0,0|1,1,0]=4 6256 B14R1.461 COc1cc(ncc1SCCCO)C 62a_100000717771_100011215043 [1,1,0,0,0,0|1,1,0]=4 6257 B14R1.461 COc1cc(ncc1SCCCO)C 62a_100011215043_100000717771 [1,1,0,0,0,0|1,1,0]=4 6258 B14R1.461 COc1cc(ncc1SCCCO)Cl 62a_100010154656_100011215043 [1,1,0,0,0,0|1,1,0]=4 6259 B14R1.461 COc1cc(ncc1SCCCO)Cl 62a_100011215043_100010154656 [1,1,0,0,0,0|1,1,0]=4 6260 B14R1.461 COc1cc(ncc1SCCCO)F 62a_100010135560_100011215043 [1,1,0,0,0,0|1,1,0]=4 6261 B14R1.461 COc1cc(ncc1SCCCO)F 62a_100011215043_100010135560 [1,1,0,0,0,0|1,1,0]=4 6262 B14R1.461 COc1cc(ncc1SCCCO)N 62a_100011215043_100015506990 [1,1,0,0,0,0|1,1,0]=4 6263 B14R1.461 COc1cc(ncc1SCCCO)N 62a_100015506990_100011215043 [1,1,0,0,0,0|1,1,0]=4 6264 B14R1.461 COc1nc(ccc1OCCCF)Br 34a_100010893133_100011934791 [1,1,0,0,0,0|2,0,0]=4 6265 B14R1.461 COc1nc(ccc1OCCCO)Br 34a_100010893133_100000230001 [1,1,0,0,0,0|1,0,0]=3 6266 B14R1.461 COc1nc(ccc1SCCCO)C 62a_100010138632_100011215043 [1,1,0,0,0,0|1,1,0]=4 6267 B14R1.461 COc1nc(ccc1SCCCO)C 62a_100011215043_100010138632 [1,1,0,0,0,0|1,1,0]=4 6268 B14R1.461 COc1nc(ccc1SCCCO)N 62a_100010187630_100011215043 [1,1,0,0,0,0|1,1,0]=4 6269 B14R1.461 COc1nc(ccc1SCCCO)N 62a_100011215043_100010187630 [1,1,0,0,0,0|1,1,0]=4 6270 B14R1.461 CSc1cc(ccc1SCCCO)C 62a_100011215043_200010709736 [1,1,0,0,0,0|0,2,0]=4 6271 B14R1.461 CSc1cc(ccc1SCCCO)C 62a_200010709736_100011215043 [1,1,0,0,0,0|0,2,0]=4 6272 B14R1.461 Cc1ccc(c(c1)C#N)OCCCO 34a_200012180384_100000230001 [1,1,0,0,0,0|2,0,0]=4 6273 B14R1.461 Cc1ccc(c(c1)C#N)OCCCO 7a_200012180384_100011215043 [1,1,0,0,0,0|2,0,0]=4 6274 B14R1.461 Cc1ccc(c(c1)CO)OCCCO 34a_200011846009_100000230001 [1,1,0,0,0,0|2,0,0]=4 6275 B14R1.461 Cc1ccc(c(c1)CO)OCCCO 7a_200011846009_100011215043 [1,1,0,0,0,0|2,0,0]=4 6276 B14R1.461 N#Cc1cc(ccc1OCCCO)Br 34a_100000687585_100000230001 [1,1,0,0,0,0|2,0,0]=4 6277 B14R1.461 N#Cc1cc(ccc1OCCCO)Br 7a_100000687585_100011215043 [1,1,0,0,0,0|2,0,0]=4 6278 B14R1.461 N#Cc1cc(ccc1OCCCO)Cl 34a_100011219380_100000230001 [1,1,0,0,0,0|2,0,0]=4 6279 B14R1.461 N#Cc1cc(ccc1OCCCO)Cl 7a_100011219380_100011215043 [1,1,0,0,0,0|2,0,0]=4 6280 B14R1.461 N#Cc1cc(ccc1OCCCO)F 34a_100011900173_100000230001 [1,1,0,0,0,0|2,0,0]=4 6281 B14R1.461 N#Cc1cc(ccc1OCCCO)F 7a_100011900173_100011215043 [1,1,0,0,0,0|2,0,0]=4 6282 B14R1.461 N#Cc1cc(ccc1OCCCO)I 34a_200000049958_100000230001 [1,1,0,0,0,0|2,0,0]=4 6283 B14R1.461 N#Cc1cc(ccc1OCCCO)I 7a_200000049958_100011215043 [1,1,0,0,0,0|2,0,0]=4 6284 B14R1.461 N#Cc1cc(ccc1OCCCO)N 34a_100011249283_100000230001 [1,1,0,0,0,0|2,0,0]=4 6285 B14R1.461 N#Cc1cc(ccc1OCCCO)N 7a_100011249283_100011215043 [1,1,0,0,0,0|2,0,0]=4 6286 B14R1.461 NCc1cc(ccc1OCCCO)Br 34a_100000730032_100000230001 [1,1,0,0,0,0|2,0,0]=4 6287 B14R1.461 NCc1cc(ccc1OCCCO)Cl 34a_100000238540_100000230001 [1,1,0,0,0,0|2,0,0]=4 6288 B14R1.461 OCCCOc1ccc(cc1CBr)F 34a_100010161318_100000230001 [1,1,0,0,0,0|2,0,0]=4 6289 B14R1.461 OCCCOc1ccc(cc1CBr)F 7a_100010161318_100011215043 [1,1,0,0,0,0|2,0,0]=4 6290 B14R1.461 OCCCOc1ccc(cc1CO)Br 34a_100000184703_100000230001 [1,1,0,0,0,0|2,0,0]=4 6291 B14R1.461 OCCCOc1ccc(cc1CO)Br 7a_100000184703_100011215043 [1,1,0,0,0,0|2,0,0]=4 6292 B14R1.461 OCCCOc1ccc(cc1CO)Cl 34a_100011218961_100000230001 [1,1,0,0,0,0|2,0,0]=4 6293 B14R1.461 OCCCOc1ccc(cc1CO)Cl 7a_100011218961_100011215043 [1,1,0,0,0,0|2,0,0]=4 6294 B14R1.461 OCCCOc1ccc(cc1CO)F 34a_100011291448_100000230001 [1,1,0,0,0,0|2,0,0]=4 6295 B14R1.461 OCCCOc1ccc(cc1CO)F 7a_100011291448_100011215043 [1,1,0,0,0,0|2,0,0]=4 6296 B14R1.461 OCCCOc1ccc(cc1CO)I 34a_100000049520_100000230001 [1,1,0,0,0,0|2,0,0]=4 6297 B14R1.461 OCCCOc1ccc(cc1CO)I 7a_100000049520_100011215043 [1,1,0,0,0,0|2,0,0]=4 6298 B14R1.476 C#CCCCNc1ccccc1OC 34a_100000210025_100000695029 [1,1,0,0,0,0|2,0,0]=4 6299 B14R1.476 C#CCCCOc1ccccc1CC 34a_100000210936_100000695029 [1,1,0,0,0,0|2,0,0]=4 6300 B14R1.476 C#CCCCOc1ccccc1CC 7a_100000210936_100011215417 [1,1,0,0,0,0|2,0,0]=4 6301 B14R1.476 C#CCCCOc1ccccc1NC 34a_100000033821_100000695029 [1,1,0,0,0,0|2,0,0]=4 6302 B14R1.476 C#CCCCOc1ccccc1OC 34a_100000210385_100000695029 [1,1,0,0,0,0|1,0,0]=3 6303 B14R1.476 C#CCCCOc1ccccc1SC 34a_100011216402_100000695029 [1,1,0,0,0,0|1,1,0]=4 6304 B14R1.476 C#CCCCOc1cccnc1OC 34a_100000698397_100000695029 [1,1,0,0,0,0|2,0,0]=4 6305 B14R1.476 C#CCCCOc1cccnc1OC 7a_100000698397_100011215417 [1,1,0,0,0,0|2,0,0]=4 6306 B14R1.476 C#CCCCOc1cnccc1OC 34a_100000101186_100000695029 [1,1,0,0,0,0|2,0,0]=4 6307 B14R1.476 C#CCCCOc1ncccc1OC 34a_100025773188_100000695029 [1,1,0,0,0,0|2,0,0]=4 6308 B14R1.476 C#CCCCSc1ccccc1OC 62a_100000210334_100011215417 [1,1,0,0,0,0|1,1,0]=4 6309 B14R1.476 C#CCCCSc1ccccc1OC 62a_100011215417_100000210334 [1,1,0,0,0,0|1,1,0]=4 6310 B14R1.476 C#CCCOCc1ccccc1OC 34a_100000211301_100000688953 [1,1,0,0,0,0|1,0,1]=4 6311 B14R1.476 C#CCCOCc1ccccc1OC 34a_100011215631_100000210004 [1,1,0,0,0,0|1,0,1]=4 6312 B14R1.476 C#Cc1ccccc1COCCCO 34a_100000054652_100000230001 [1,1,0,0,0,0|1,0,1]=4 6313 B14R1.476 C#Cc1ccccc1COCCCO 7a_100000054652_100011215043 [1,1,0,0,0,0|1,0,1]=4 6314 B14R1.476 C#Cc1ccccc1OCCCCO 34a_200011470546_100011216708 [1,1,0,0,0,0|1,0,1]=4 6315 B14R1.476 C#Cc1ccccc1OCCCCO 7a_200011470546_100000210776 [1,1,0,0,0,0|1,0,1]=4 6316 B14R1.476 C#Cc1ccccc1OCCCOC 34a_200011470546_100000740836 [1,1,0,0,0,0|1,0,1]=4 6317 B14R1.476 C#Cc1ccccc1OCCCOC 7a_200011470546_100000740836 [1,1,0,0,0,0|1,0,1]=4 6318 B14R1.476 C=CCCCNc1ccccc1OC 34a_100000210025_100000757094 [1,1,0,0,0,0|2,0,0]=4 6319 B14R1.476 C=CCCCOc1ccccc1CC 34a_100000210936_100000757094 [1,1,0,0,0,0|2,0,0]=4 6320 B14R1.476 C=CCCCOc1ccccc1CC 7a_100000210936_100000757094 [1,1,0,0,0,0|2,0,0]=4 6321 B14R1.476 C=CCCCOc1ccccc1NC 34a_100000033821_100000757094 [1,1,0,0,0,0|2,0,0]=4 6322 B14R1.476 C=CCCCOc1ccccc1OC 34a_100000210385_100000757094 [1,1,0,0,0,0|1,0,0]=3 6323 B14R1.476 C=CCCCOc1ccccc1SC 34a_100011216402_100000757094 [1,1,0,0,0,0|1,1,0]=4 6324 B14R1.476 C=CCCCOc1cccnc1OC 34a_100000698397_100000757094 [1,1,0,0,0,0|2,0,0]=4 6325 B14R1.476 C=CCCCOc1cccnc1OC 7a_100000698397_100000757094 [1,1,0,0,0,0|2,0,0]=4 6326 B14R1.476 C=CCCCOc1cnccc1OC 34a_100000101186_100000757094 [1,1,0,0,0,0|2,0,0]=4 6327 B14R1.476 C=CCCCOc1ncccc1OC 34a_100025773188_100000757094 [1,1,0,0,0,0|2,0,0]=4 6328 B14R1.476 C=CCCCSc1ccccc1OC 62a_100000210334_100000757094 [1,1,0,0,0,0|1,1,0]=4 6329 B14R1.476 C=CCCCSc1ccccc1OC 62a_100011713584_100000210334 [1,1,0,0,0,0|1,1,0]=4 6330 B14R1.476 C=CCCOCc1ccccc1OC 34a_100000211301_100000754431 [1,1,0,0,0,0|1,0,1]=4 6331 B14R1.476 C=CCCOCc1ccccc1OC 34a_100011205117_100000210004 [1,1,0,0,0,0|1,0,1]=4 6332 B14R1.476 C=COCCOc1ccccc1OC 34a_100000210385_100000039644 [1,1,0,0,0,0|1,0,1]=4 6333 B14R1.476 C=Cc1ccccc1COCCCO 34a_200010883148_100000230001 [1,1,0,0,0,0|1,0,1]=4 6334 B14R1.476 C=Cc1ccccc1COCCCO 7a_200010883148_100011215043 [1,1,0,0,0,0|1,0,1]=4 6335 B14R1.476 CC/C=C\COc1ccccc1OC 34a_100000210385_100103147603 [1,1,0,0,0,0|1,0,1]=4 6336 B14R1.476 CCC#CCOc1ccccc1OC 34a_100000210385_100009813939 [1,1,0,0,0,0|1,0,1]=4 6337 B14R1.476 CCCCC=Cc1ccccc1OC 271570a_100016275911_100000174000 [1,1,0,0,0,0|2,0,0]=4 6338 B14R1.476 CCCCCNc1ccccc1OC 34a_100000210025_100000718602 [1,1,0,0,0,0|2,0,0]=4 6339 B14R1.476 CCCCCOc1ccccc1CC 34a_100000210936_100000718602 [1,1,0,0,0,0|2,0,0]=4 6340 B14R1.476 CCCCCOc1ccccc1CC 7a_100000210936_100000210326 [1,1,0,0,0,0|2,0,0]=4 6341 B14R1.476 CCCCCOc1ccccc1NC 34a_100000033821_100000718602 [1,1,0,0,0,0|2,0,0]=4 6342 B14R1.476 CCCCCOc1ccccc1OC 34a_100000210385_100000718602 [1,1,0,0,0,0|1,0,0]=3 6343 B14R1.476 CCCCCOc1ccccc1SC 34a_100011216402_100000718602 [1,1,0,0,0,0|1,1,0]=4 6344 B14R1.476 CCCCCOc1cccnc1OC 34a_100000698397_100000718602 [1,1,0,0,0,0|2,0,0]=4 6345 B14R1.476 CCCCCOc1cccnc1OC 7a_100000698397_100000210326 [1,1,0,0,0,0|2,0,0]=4 6346 B14R1.476 CCCCCOc1cnccc1OC 34a_100000101186_100000718602 [1,1,0,0,0,0|2,0,0]=4 6347 B14R1.476 CCCCCOc1ncccc1OC 34a_100025773188_100000718602 [1,1,0,0,0,0|2,0,0]=4 6348 B14R1.476 CCCCCSc1ccccc1OC 62a_100000210326_100000210334 [1,1,0,0,0,0|1,1,0]=4 6349 B14R1.476 CCCCCSc1ccccc1OC 62a_100000210334_100000210326 [1,1,0,0,0,0|1,1,0]=4 6350 B14R1.476 CCCCNCc1ccccc1OC 207a_100000102301_100000169842 [1,1,0,0,0,0|2,0,0]=4 6351 B14R1.476 CCCCNCc1ccccc1OC 2230a_100000102301_100000210004 [1,1,0,0,0,0|2,0,0]=4 6352 B14R1.476 CCCCNCc1ccccc1OC 270004a_100000102301_100000169842 [1,1,0,0,0,0|2,0,0]=4 6353 B14R1.476 CCCCNCc1ccccc1OC 34a_100000188900_100000210210 [1,1,0,0,0,0|2,0,0]=4 6354 B14R1.476 CCCCNCc1ccccc1OC 7a_106832991798_100000210004 [1,1,0,0,0,0|2,0,0]=4 6355 B14R1.476 CCCCOCc1ccccc1CC 34a_100011663872_100000210210 [1,1,0,0,0,0|2,0,0]=4 6356 B14R1.476 CCCCOCc1ccccc1CC 7a_100011663872_100000210211 [1,1,0,0,0,0|2,0,0]=4 6357 B14R1.476 CCCCOCc1ccccc1OC 34a_100000210227_100000210004 [1,1,0,0,0,0|1,0,0]=3 6358 B14R1.476 CCCCOCc1ccccc1OC 34a_100000211301_100000210210 [1,1,0,0,0,0|1,0,0]=3 6359 B14R1.476 CCCCOCc1ccccc1OC 7a_100000210227_100000210004 [1,1,0,0,0,0|1,0,0]=3 6360 B14R1.476 CCCCOCc1ccccc1SC 34a_100000210227_100000699184 [1,1,0,0,0,0|1,1,0]=4 6361 B14R1.476 CCCCOCc1ccccc1SC 34a_100000699167_100000210210 [1,1,0,0,0,0|1,1,0]=4 6362 B14R1.476 CCCCOCc1ccccc1SC 7a_100000210227_100000699184 [1,1,0,0,0,0|1,1,0]=4 6363 B14R1.476 CCCCOCc1cccnc1OC 34a_100000210227_100020631285 [1,1,0,0,0,0|2,0,0]=4 6364 B14R1.476 CCCCOCc1cccnc1OC 34a_100000717863_100000210210 [1,1,0,0,0,0|2,0,0]=4 6365 B14R1.476 CCCCOCc1cccnc1OC 7a_100000210227_100020631285 [1,1,0,0,0,0|2,0,0]=4 6366 B14R1.476 CCCCOCc1ccncc1OC 7a_100000210227_100020635607 [1,1,0,0,0,0|2,0,0]=4 6367 B14R1.476 CCCCOCc1ncccc1OC 34a_100011998681_100000210210 [1,1,0,0,0,0|2,0,0]=4 6368 B14R1.476 CCCCSCc1ccccc1OC 62a_100000210004_100000210210 [1,1,0,0,0,0|1,1,0]=4 6369 B14R1.476 CCCCSCc1ccccc1OC 62a_100000210211_100000210004 [1,1,0,0,0,0|1,1,0]=4 6370 B14R1.476 CCCNCCc1ccccc1OC 2230a_100000211851_100000210303 [1,1,0,0,0,0|2,0,0]=4 6371 B14R1.476 CCCNCCc1ccccc1OC 270004a_100020643023_100011713418 [1,1,0,0,0,0|2,0,0]=4 6372 B14R1.476 CCCNCCc1ccccc1OC 34a_100000211851_100000210303 [1,1,0,0,0,0|2,0,0]=4 6373 B14R1.476 CCCOCCc1ccccc1OC 34a_100000210258_100011713687 [1,1,0,0,0,0|2,0,0]=4 6374 B14R1.476 CCCOCCc1ccccc1OC 34a_100011218620_100000210303 [1,1,0,0,0,0|2,0,0]=4 6375 B14R1.476 CCCOCCc1ccccc1OC 7a_100011218620_100000210303 [1,1,0,0,0,0|2,0,0]=4 6376 B14R1.476 CCCSCCc1ccccc1OC 62a_100000210303_100011713687 [1,1,0,0,0,0|2,0,0]=4 6377 B14R1.476 CCCSCCc1ccccc1OC 62a_100011713687_100000210303 [1,1,0,0,0,0|2,0,0]=4 6378 B14R1.476 CCNCCCc1ccccc1OC 270004a_100015525214_100011713476 [1,1,0,0,0,0|2,0,0]=4 6379 B14R1.476 CCNCCOc1ccccc1OC 2230a_100000683763_100000210202 [1,1,0,0,0,0|1,0,0]=3 6380 B14R1.476 CCNCCOc1ccccc1OC 2230a_100015525214_100000188471 [1,1,0,0,0,0|1,0,0]=3 6381 B14R1.476 CCNCCOc1ccccc1OC 34a_100000683763_100000210202 [1,1,0,0,0,0|1,0,0]=3 6382 B14R1.476 CCNCCOc1ccccc1SC 2230a_100011893647_100000210202 [1,1,0,0,0,0|1,1,0]=4 6383 B14R1.476 CCNCCOc1ccccc1SC 34a_100011893647_100000210202 [1,1,0,0,0,0|1,1,0]=4 6384 B14R1.476 CCOCCCc1ccccc1OC 34a_100011709264_100000210202 [1,1,0,0,0,0|2,0,0]=4 6385 B14R1.476 CCOCCCc1ccccc1OC 7a_100011709264_100000210202 [1,1,0,0,0,0|2,0,0]=4 6386 B14R1.476 CCOCCNc1ccccc1OC 34a_100000210025_100000210147 [1,1,0,0,0,0|2,0,0]=4 6387 B14R1.476 CCOCCOc1ccccc1CC 34a_100000210936_100000210147 [1,1,0,0,0,0|2,0,0]=4 6388 B14R1.476 CCOCCOc1ccccc1CC 7a_100000210936_100011215890 [1,1,0,0,0,0|2,0,0]=4 6389 B14R1.476 CCOCCOc1ccccc1NC 2230a_100015184013_200000210301 [1,1,0,0,0,0|2,0,0]=4 6390 B14R1.476 CCOCCOc1ccccc1NC 34a_100000033821_100000210147 [1,1,0,0,0,0|2,0,0]=4 6391 B14R1.476 CCOCCOc1ccccc1NC 34a_100015184013_200000210301 [1,1,0,0,0,0|2,0,0]=4 6392 B14R1.476 CCOCCOc1ccccc1NC 7a_100015184013_200000210301 [1,1,0,0,0,0|2,0,0]=4 6393 B14R1.476 CCOCCOc1ccccc1N[13CH3] 2230a_100015184013_200025704644 [1,1,0,0,0,0|2,0,0]=4 6394 B14R1.476 CCOCCOc1ccccc1N[13CH3] 34a_100015184013_200025704644 [1,1,0,0,0,0|2,0,0]=4 6395 B14R1.476 CCOCCOc1ccccc1N[13CH3] 7a_100015184013_200025704644 [1,1,0,0,0,0|2,0,0]=4 6396 B14R1.476 CCOCCOc1ccccc1OC 34a_100000210385_100000210147 [1,1,0,0,0,0|1,0,0]=3 6397 B14R1.476 CCOCCOc1ccccc1OC 34a_100121572206_100000188471 [1,1,0,0,0,0|1,0,0]=3 6398 B14R1.476 CCOCCOc1ccccc1SC 34a_100011216402_100000210147 [1,1,0,0,0,0|1,1,0]=4 6399 B14R1.476 CCOCCOc1cccnc1OC 34a_100000698397_100000210147 [1,1,0,0,0,0|2,0,0]=4 6400 B14R1.476 CCOCCOc1cccnc1OC 7a_100000698397_100011215890 [1,1,0,0,0,0|2,0,0]=4 6401 B14R1.476 CCOCCOc1cnccc1OC 34a_100000101186_100000210147 [1,1,0,0,0,0|2,0,0]=4 6402 B14R1.476 CCOCCOc1ncccc1OC 34a_100025773188_100000210147 [1,1,0,0,0,0|2,0,0]=4 6403 B14R1.476 CCOCCSc1ccccc1OC 62a_100000210147_100000210334 [1,1,0,0,0,0|1,1,0]=4 6404 B14R1.476 CCOCCSc1ccccc1OC 62a_100000210334_100011215890 [1,1,0,0,0,0|1,1,0]=4 6405 B14R1.476 CCOCCSc1ccccc1OC 7a_200011448452_100000210202 [1,1,0,0,0,0|1,1,0]=4 6406 B14R1.476 CCSCCNc1ccccc1OC 34a_100000210025_100000757381 [1,1,0,0,0,0|2,0,0]=4 6407 B14R1.476 CCSCCOc1ccccc1CC 34a_100000210936_100000757381 [1,1,0,0,0,0|2,0,0]=4 6408 B14R1.476 CCSCCOc1ccccc1CC 7a_100000210936_100000757381 [1,1,0,0,0,0|2,0,0]=4 6409 B14R1.476 CCSCCOc1ccccc1NC 34a_100000033821_100000757381 [1,1,0,0,0,0|2,0,0]=4 6410 B14R1.476 CCSCCOc1ccccc1OC 34a_100000210385_100000757381 [1,1,0,0,0,0|1,0,0]=3 6411 B14R1.476 CCSCCOc1ccccc1OC 62a_100000188471_100000210202 [1,1,0,0,0,0|1,0,0]=3 6412 B14R1.476 CCSCCOc1ccccc1OC 62a_100000210202_100000188471 [1,1,0,0,0,0|1,0,0]=3 6413 B14R1.476 CCSCCOc1ccccc1SC 34a_100011216402_100000757381 [1,1,0,0,0,0|1,1,0]=4 6414 B14R1.476 CCSCCOc1cccnc1OC 34a_100000698397_100000757381 [1,1,0,0,0,0|2,0,0]=4 6415 B14R1.476 CCSCCOc1cccnc1OC 7a_100000698397_100000757381 [1,1,0,0,0,0|2,0,0]=4 6416 B14R1.476 CCSCCOc1cnccc1OC 34a_100000101186_100000757381 [1,1,0,0,0,0|2,0,0]=4 6417 B14R1.476 CCSCCOc1ncccc1OC 34a_100025773188_100000757381 [1,1,0,0,0,0|2,0,0]=4 6418 B14R1.476 CCSCCSc1ccccc1OC 62a_100000210334_100000757381 [1,1,0,0,0,0|1,1,0]=4 6419 B14R1.476 CCSCCSc1ccccc1OC 62a_100000757381_100000210334 [1,1,0,0,0,0|1,1,0]=4 6420 B14R1.476 CCc1ccccc1CCNCCO 2230a_100011663701_100000211926 [1,1,0,0,0,0|2,0,0]=4 6421 B14R1.476 CCc1ccccc1CCNCCO 34a_100011663701_100000211926 [1,1,0,0,0,0|2,0,0]=4 6422 B14R1.476 CCc1ccccc1CNCCCO 207a_100000182051_100011219594 [1,1,0,0,0,0|2,0,0]=4 6423 B14R1.476 CCc1ccccc1CNCCCO 270004a_100000182051_100011219594 [1,1,0,0,0,0|2,0,0]=4 6424 B14R1.476 CCc1ccccc1COCCCF 34a_100011663872_100011934791 [1,1,0,0,0,0|2,0,0]=4 6425 B14R1.476 CCc1ccccc1COCCCF 7a_100011663872_100011934791 [1,1,0,0,0,0|2,0,0]=4 6426 B14R1.476 CCc1ccccc1COCCCO 34a_100011663872_100000230001 [1,1,0,0,0,0|1,0,0]=3 6427 B14R1.476 CCc1ccccc1COCCCO 7a_100011663872_100011215043 [1,1,0,0,0,0|1,0,0]=3 6428 B14R1.476 CCc1ccccc1NCCCCO 2230a_100000212081_100000210776 [1,1,0,0,0,0|2,0,0]=4 6429 B14R1.476 CCc1ccccc1NCCCCO 34a_100000212081_100011216708 [1,1,0,0,0,0|2,0,0]=4 6430 B14R1.476 CCc1ccccc1NCCCCO 7a_100000212081_100000210776 [1,1,0,0,0,0|2,0,0]=4 6431 B14R1.476 CCc1ccccc1NCCCOC 2230a_100000212081_100000740836 [1,1,0,0,0,0|2,0,0]=4 6432 B14R1.476 CCc1ccccc1NCCCOC 34a_100000212081_100000740836 [1,1,0,0,0,0|2,0,0]=4 6433 B14R1.476 CCc1ccccc1NCCCOC 7a_100000212081_100000740836 [1,1,0,0,0,0|2,0,0]=4 6434 B14R1.476 CCc1ccccc1OCC#CCO 34a_100000210936_200000047223 [1,1,0,0,0,0|1,0,1]=4 6435 B14R1.476 CCc1ccccc1OCC#CCO 7a_100000210936_200000047223 [1,1,0,0,0,0|1,0,1]=4 6436 B14R1.476 CCc1ccccc1OCCCC#N 7a_100000210936_100000687738 [1,1,0,0,0,0|2,0,0]=4 6437 B14R1.476 CCc1ccccc1OCCCC=O 7a_100000210936_200011292268 [1,1,0,0,0,0|1,0,1]=4 6438 B14R1.476 CCc1ccccc1OCCCCF 34a_100000210936_100000729493 [1,1,0,0,0,0|2,0,0]=4 6439 B14R1.476 CCc1ccccc1OCCCCF 7a_100000210936_100000729493 [1,1,0,0,0,0|2,0,0]=4 6440 B14R1.476 CCc1ccccc1OCCCCO 34a_100000210936_100011216708 [1,1,0,0,0,0|1,0,0]=3 6441 B14R1.476 CCc1ccccc1OCCCCO 7a_100000210936_100000210776 [1,1,0,0,0,0|1,0,0]=3 6442 B14R1.476 CCc1ccccc1OCCCOC 34a_100000210936_100000740836 [1,1,0,0,0,0|1,0,0]=3 6443 B14R1.476 CCc1ccccc1OCCCOC 7a_100000210936_100000740836 [1,1,0,0,0,0|1,0,0]=3 6444 B14R1.476 CCc1ccccc1SCCCCO 62a_100000210776_100011215823 [1,1,0,0,0,0|1,1,0]=4 6445 B14R1.476 CCc1ccccc1SCCCCO 62a_100011215823_100000210776 [1,1,0,0,0,0|1,1,0]=4 6446 B14R1.476 CCc1ccccc1SCCCOC 62a_100000709357_100011215823 [1,1,0,0,0,0|1,1,0]=4 6447 B14R1.476 CCc1ccccc1SCCCOC 62a_100011215823_100000709357 [1,1,0,0,0,0|1,1,0]=4 6448 B14R1.476 CNCCCOc1ccccc1OC 2230a_106832991635_100011259231 [1,1,0,0,0,0|1,0,0]=3 6449 B14R1.476 CNCCCOc1ccccc1OC 34a_100000752037_200000210301 [1,1,0,0,0,0|1,0,0]=3 6450 B14R1.476 CNCCCOc1ccccc1OC 34a_100102657272_100011259231 [1,1,0,0,0,0|1,0,0]=3 6451 B14R1.476 CNCCCOc1ccccc1OC 7a_106832991635_100011259231 [1,1,0,0,0,0|1,0,0]=3 6452 B14R1.476 CNCCCOc1ccccc1SC 62a_100015186278_200000210301 [1,1,0,0,0,0|1,1,0]=4 6453 B14R1.476 CNCCCOc1ccccc1SC 62a_200000210301_100015186278 [1,1,0,0,0,0|1,1,0]=4 6454 B14R1.476 CNCCCOc1ccccc1S[13CH3] 62a_100015186278_200025704644 [1,1,0,0,0,0|1,1,0]=4 6455 B14R1.476 CNCCCOc1ccccc1S[13CH3] 62a_200025704644_100015186278 [1,1,0,0,0,0|1,1,0]=4 6456 B14R1.476 CNc1ccccc1OCC#CCO 34a_100000033821_200000047223 [1,1,0,0,0,0|1,0,1]=4 6457 B14R1.476 CNc1ccccc1OCCCCF 34a_100000033821_100000729493 [1,1,0,0,0,0|2,0,0]=4 6458 B14R1.476 CNc1ccccc1OCCCCO 34a_100000033821_100011216708 [1,1,0,0,0,0|1,0,0]=3 6459 B14R1.476 CNc1ccccc1OCCCOC 2230a_100000744116_200000210301 [1,1,0,0,0,0|1,0,0]=3 6460 B14R1.476 CNc1ccccc1OCCCOC 34a_100000033821_100000740836 [1,1,0,0,0,0|1,0,0]=3 6461 B14R1.476 CNc1ccccc1OCCCOC 34a_100000744116_200000210301 [1,1,0,0,0,0|1,0,0]=3 6462 B14R1.476 CNc1ccccc1SCCCCO 62a_100000210776_100020606079 [1,1,0,0,0,0|1,1,0]=4 6463 B14R1.476 CNc1ccccc1SCCCCO 62a_100020606079_100000210776 [1,1,0,0,0,0|1,1,0]=4 6464 B14R1.476 CNc1ccccc1SCCCOC 62a_100000709357_100020606079 [1,1,0,0,0,0|1,1,0]=4 6465 B14R1.476 CNc1ccccc1SCCCOC 62a_100020606079_100000709357 [1,1,0,0,0,0|1,1,0]=4 6466 B14R1.476 COCCCNc1ccccc1OC 34a_100000210025_100000740836 [1,1,0,0,0,0|1,0,0]=3 6467 B14R1.476 COCCCNc1ccccc1SC 34a_100000211160_100000740836 [1,1,0,0,0,0|1,1,0]=4 6468 B14R1.476 COCCCOc1ccccc1C#N 34a_100000211048_100000740836 [1,1,0,0,0,0|2,0,0]=4 6469 B14R1.476 COCCCOc1ccccc1C#N 7a_100000211048_100000740836 [1,1,0,0,0,0|2,0,0]=4 6470 B14R1.476 COCCCOc1ccccc1CN 34a_100000185550_100000740836 [1,1,0,0,0,0|2,0,0]=4 6471 B14R1.476 COCCCOc1ccccc1CO 34a_100011216872_100000740836 [1,1,0,0,0,0|2,0,0]=4 6472 B14R1.476 COCCCOc1ccccc1N[13CH3] 2230a_100000744116_200025704644 [1,1,0,0,0,0|1,0,0]=3 6473 B14R1.476 COCCCOc1ccccc1N[13CH3] 34a_100000744116_200025704644 [1,1,0,0,0,0|1,0,0]=3 6474 B14R1.476 COCCCOc1ccccc1OC 34a_100000210385_100000740836 [1,1,0,0,0,0|0,0,0]=2 6475 B14R1.476 COCCCOc1ccccc1OC 34a_100138415774_100011259231 [1,1,0,0,0,0|0,0,0]=2 6476 B14R1.476 COCCCOc1ccccc1SC 34a_100011216402_100000740836 [1,1,0,0,0,0|0,1,0]=3 6477 B14R1.476 COCCCOc1cccnc1OC 34a_100000698397_100000740836 [1,1,0,0,0,0|1,0,0]=3 6478 B14R1.476 COCCCOc1cccnc1OC 7a_100000698397_100000740836 [1,1,0,0,0,0|1,0,0]=3 6479 B14R1.476 COCCCOc1cnccc1OC 34a_100000101186_100000740836 [1,1,0,0,0,0|1,0,0]=3 6480 B14R1.476 COCCCOc1ncccc1OC 34a_100025773188_100000740836 [1,1,0,0,0,0|1,0,0]=3 6481 B14R1.476 COCCCSc1ccccc1OC 62a_100000210334_100000709357 [1,1,0,0,0,0|0,1,0]=3 6482 B14R1.476 COCCCSc1ccccc1OC 62a_100000709357_100000210334 [1,1,0,0,0,0|0,1,0]=3 6483 B14R1.476 COCCCSc1ccccc1SC 62a_100000709357_100011217816 [1,1,0,0,0,0|0,2,0]=4 6484 B14R1.476 COCCCSc1ccccc1SC 62a_100011217816_100000709357 [1,1,0,0,0,0|0,2,0]=4 6485 B14R1.476 COCCCSc1cccnc1OC 62a_100000047025_100000709357 [1,1,0,0,0,0|1,1,0]=4 6486 B14R1.476 COCCCSc1cccnc1OC 62a_100000709357_100000047025 [1,1,0,0,0,0|1,1,0]=4 6487 B14R1.476 COCCCSc1ccncc1OC 62a_100000709357_100016988167 [1,1,0,0,0,0|1,1,0]=4 6488 B14R1.476 COCCCSc1ccncc1OC 62a_100016988167_100000709357 [1,1,0,0,0,0|1,1,0]=4 6489 B14R1.476 COCCCSc1cnccc1OC 62a_100000709357_100011997281 [1,1,0,0,0,0|1,1,0]=4 6490 B14R1.476 COCCCSc1cnccc1OC 62a_100011997281_100000709357 [1,1,0,0,0,0|1,1,0]=4 6491 B14R1.476 COCCCSc1ncccc1OC 62a_100000709357_100000690851 [1,1,0,0,0,0|1,1,0]=4 6492 B14R1.476 COCCCSc1ncccc1OC 62a_100000767102_100000709357 [1,1,0,0,0,0|1,1,0]=4 6493 B14R1.476 COCCNCc1ccccc1OC 207a_100000209980_100000169842 [1,1,0,0,0,0|2,0,0]=4 6494 B14R1.476 COCCNCc1ccccc1OC 2230a_100000209980_100000210004 [1,1,0,0,0,0|2,0,0]=4 6495 B14R1.476 COCCNCc1ccccc1OC 270004a_100000209980_100000169842 [1,1,0,0,0,0|2,0,0]=4 6496 B14R1.476 COCCNCc1ccccc1OC 34a_100000188900_100011201679 [1,1,0,0,0,0|2,0,0]=4 6497 B14R1.476 COCCOCc1ccccc1OC 34a_100000210237_100000210004 [1,1,0,0,0,0|2,0,0]=4 6498 B14R1.476 COCCOCc1ccccc1OC 34a_100000211301_100011201679 [1,1,0,0,0,0|2,0,0]=4 6499 B14R1.476 COCCSCc1ccccc1OC 62a_100000210004_100000233755 [1,1,0,0,0,0|2,0,0]=4 6500 B14R1.476 COCCSCc1ccccc1OC 62a_100000233755_100000210004 [1,1,0,0,0,0|2,0,0]=4 6501 B14R1.476 COCNCCc1ccccc1OC 2230a_100000211851_100000766300 [1,1,0,0,0,0|2,0,0]=4 6502 B14R1.476 COCSCCc1ccccc1OC 62a_100000766300_100011713687 [1,1,0,0,0,0|2,0,0]=4 6503 B14R1.476 COCSCCc1ccccc1OC 62a_100011713687_100000766300 [1,1,0,0,0,0|2,0,0]=4 6504 B14R1.476 COc1ccccc1C=NNCCO 4a_100000210001_100000169842 [1,1,0,0,0,0|2,0,0]=4 6505 B14R1.476 COc1ccccc1CCCOCF 34a_100011709264_100015361967 [1,1,0,0,0,0|2,0,0]=4 6506 B14R1.476 COc1ccccc1CCCOCF 7a_100011709264_100015361967 [1,1,0,0,0,0|2,0,0]=4 6507 B14R1.476 COc1ccccc1CCNCCF 2230a_100000211851_100011217306 [1,1,0,0,0,0|2,0,0]=4 6508 B14R1.476 COc1ccccc1CCNCCF 34a_100000211851_100011217306 [1,1,0,0,0,0|2,0,0]=4 6509 B14R1.476 COc1ccccc1CCNCCF 34a_100000724931_100011713687 [1,1,0,0,0,0|2,0,0]=4 6510 B14R1.476 COc1ccccc1CCNCCO 2230a_100000211851_100000211926 [1,1,0,0,0,0|1,0,0]=3 6511 B14R1.476 COc1ccccc1CCNCCO 2230a_100016997473_100011713687 [1,1,0,0,0,0|1,0,0]=3 6512 B14R1.476 COc1ccccc1CCNCCO 270004a_100000210304_100011713418 [1,1,0,0,0,0|1,0,0]=3 6513 B14R1.476 COc1ccccc1CCNCCO 34a_100000211851_100000211926 [1,1,0,0,0,0|1,0,0]=3 6514 B14R1.476 COc1ccccc1CCNCCO 34a_100016990907_100011713687 [1,1,0,0,0,0|1,0,0]=3 6515 B14R1.476 COc1ccccc1CCOCCBr 34a_100000211926_100011713687 [1,1,0,0,0,0|2,0,0]=4 6516 B14R1.476 COc1ccccc1CCOCCF 34a_100011218620_100011217306 [1,1,0,0,0,0|2,0,0]=4 6517 B14R1.476 COc1ccccc1CCOCCF 7a_100011218620_100011217306 [1,1,0,0,0,0|2,0,0]=4 6518 B14R1.476 COc1ccccc1CCOCCN 34a_100000210304_100011713687 [1,1,0,0,0,0|2,0,0]=4 6519 B14R1.476 COc1ccccc1CCOCCO 34a_100011218620_100000211926 [1,1,0,0,0,0|1,0,0]=3 6520 B14R1.476 COc1ccccc1CCOCCO 7a_100011218620_100000211926 [1,1,0,0,0,0|1,0,0]=3 6521 B14R1.476 COc1ccccc1CCSCCF 62a_100011217306_100011713687 [1,1,0,0,0,0|2,0,0]=4 6522 B14R1.476 COc1ccccc1CCSCCF 62a_100011713687_100011217306 [1,1,0,0,0,0|2,0,0]=4 6523 B14R1.476 COc1ccccc1CCSCCO 62a_100000211926_100011713687 [1,1,0,0,0,0|1,0,0]=3 6524 B14R1.476 COc1ccccc1CCSCCO 62a_100011713687_100000211926 [1,1,0,0,0,0|1,0,0]=3 6525 B14R1.476 COc1ccccc1CNCCCF 207a_100015189416_100000169842 [1,1,0,0,0,0|2,0,0]=4 6526 B14R1.476 COc1ccccc1CNCCCF 2230a_100015189416_100000210004 [1,1,0,0,0,0|2,0,0]=4 6527 B14R1.476 COc1ccccc1CNCCCF 270004a_100015189416_100000169842 [1,1,0,0,0,0|2,0,0]=4 6528 B14R1.476 COc1ccccc1CNCCCF 34a_100000188900_100011934791 [1,1,0,0,0,0|2,0,0]=4 6529 B14R1.476 COc1ccccc1CNCCCF 34a_100015189416_100000210004 [1,1,0,0,0,0|2,0,0]=4 6530 B14R1.476 COc1ccccc1CNCCCO 207a_100000182051_100000169842 [1,1,0,0,0,0|1,0,0]=3 6531 B14R1.476 COc1ccccc1CNCCCO 270004a_100000182051_100000169842 [1,1,0,0,0,0|1,0,0]=3 6532 B14R1.476 COc1ccccc1CNCCCO 34a_100000188900_100000230001 [1,1,0,0,0,0|1,0,0]=3 6533 B14R1.476 COc1ccccc1COCCCBr 34a_100011217188_100000210004 [1,1,0,0,0,0|1,0,0]=3 6534 B14R1.476 COc1ccccc1COCCCCl 34a_100000230001_100000210004 [1,1,0,0,0,0|1,0,0]=3 6535 B14R1.476 COc1ccccc1COCCCF 34a_100000211301_100011934791 [1,1,0,0,0,0|1,0,0]=3 6536 B14R1.476 COc1ccccc1COCCCF 34a_100000759539_100000210004 [1,1,0,0,0,0|1,0,0]=3 6537 B14R1.476 COc1ccccc1COCCCN 34a_100000182051_100000210004 [1,1,0,0,0,0|1,0,0]=3 6538 B14R1.476 COc1ccccc1COCCCO 34a_100000211301_100000230001 [1,1,0,0,0,0|0,0,0]=2 6539 B14R1.476 COc1ccccc1COCCON 34a_100000700252_100000210004 [1,1,0,0,0,0|2,0,0]=4 6540 B14R1.476 COc1ccccc1COCCSC 34a_100000211301_100000212216 [1,1,0,0,0,0|2,0,0]=4 6541 B14R1.476 COc1ccccc1COCCSC 34a_100000230434_100000210004 [1,1,0,0,0,0|2,0,0]=4 6542 B14R1.476 COc1ccccc1COCCSC 7a_100000230434_100000210004 [1,1,0,0,0,0|2,0,0]=4 6543 B14R1.476 COc1ccccc1CSCCCF 62a_100000210004_100011934791 [1,1,0,0,0,0|1,1,0]=4 6544 B14R1.476 COc1ccccc1CSCCCF 62a_100011934791_100000210004 [1,1,0,0,0,0|1,1,0]=4 6545 B14R1.476 COc1ccccc1CSCCCO 62a_100000210004_100011215043 [1,1,0,0,0,0|0,1,0]=3 6546 B14R1.476 COc1ccccc1CSCCCO 62a_100011215043_100000210004 [1,1,0,0,0,0|0,1,0]=3 6547 B14R1.476 COc1ccccc1NCC#CCO 34a_100000210025_200000047223 [1,1,0,0,0,0|1,0,1]=4 6548 B14R1.476 COc1ccccc1NCCCCF 34a_100000210025_100000729493 [1,1,0,0,0,0|2,0,0]=4 6549 B14R1.476 COc1ccccc1NCCCCO 34a_100000210025_100011216708 [1,1,0,0,0,0|1,0,0]=3 6550 B14R1.476 COc1ccccc1OCC#CCO 34a_100000210385_200000047223 [1,1,0,0,0,0|0,0,1]=3 6551 B14R1.476 COc1ccccc1OCCCCF 34a_100000210385_100000729493 [1,1,0,0,0,0|1,0,0]=3 6552 B14R1.476 COc1ccccc1OCCCCO 34a_100000210385_100011216708 [1,1,0,0,0,0|0,0,0]=2 6553 B14R1.476 COc1ccccc1OCCCN[13CH3] 34a_100000752037_200025704644 [1,1,0,0,0,0|1,0,0]=3 6554 B14R1.476 COc1ccccc1OCCCSC 62a_100011259231_200000210301 [1,1,0,0,0,0|0,1,0]=3 6555 B14R1.476 COc1ccccc1OCCCSC 62a_200000210301_100011259231 [1,1,0,0,0,0|0,1,0]=3 6556 B14R1.476 COc1ccccc1OCCCS[13CH3] 62a_100011259231_200025704644 [1,1,0,0,0,0|0,1,0]=3 6557 B14R1.476 COc1ccccc1OCCCS[13CH3] 62a_200025704644_100011259231 [1,1,0,0,0,0|0,1,0]=3 6558 B14R1.476 COc1ccccc1OCCNCF 34a_100000683763_100015361967 [1,1,0,0,0,0|1,0,0]=3 6559 B14R1.476 COc1ccccc1OCCSCF 62a_100000188471_100015361967 [1,1,0,0,0,0|1,0,0]=3 6560 B14R1.476 COc1ccccc1OCCSCF 62a_100015361967_100000188471 [1,1,0,0,0,0|1,0,0]=3 6561 B14R1.476 COc1ccccc1SCC#CCO 62a_100000210334_200000047223 [1,1,0,0,0,0|0,1,1]=4 6562 B14R1.476 COc1ccccc1SCC#CCO 62a_200000047223_100000210334 [1,1,0,0,0,0|0,1,1]=4 6563 B14R1.476 COc1ccccc1SCCCC#N 62a_100000210334_100000687738 [1,1,0,0,0,0|1,1,0]=4 6564 B14R1.476 COc1ccccc1SCCCC#N 62a_100000687738_100000210334 [1,1,0,0,0,0|1,1,0]=4 6565 B14R1.476 COc1ccccc1SCCCC=O 62a_100000210334_200011292268 [1,1,0,0,0,0|0,1,1]=4 6566 B14R1.476 COc1ccccc1SCCCC=O 62a_200011292268_100000210334 [1,1,0,0,0,0|0,1,1]=4 6567 B14R1.476 COc1ccccc1SCCCCF 62a_100000210334_100000729493 [1,1,0,0,0,0|1,1,0]=4 6568 B14R1.476 COc1ccccc1SCCCCF 62a_100000729493_100000210334 [1,1,0,0,0,0|1,1,0]=4 6569 B14R1.476 COc1ccccc1SCCCCO 62a_100000210334_100000210776 [1,1,0,0,0,0|0,1,0]=3 6570 B14R1.476 COc1ccccc1SCCCCO 62a_100000210776_100000210334 [1,1,0,0,0,0|0,1,0]=3 6571 B14R1.476 COc1ccccc1SCCOCF 7a_200011448452_100015361967 [1,1,0,0,0,0|1,1,0]=4 6572 B14R1.476 COc1cccnc1CNCCCO 207a_100000182051_100011912573 [1,1,0,0,0,0|2,0,0]=4 6573 B14R1.476 COc1cccnc1CNCCCO 270004a_100000182051_100011912573 [1,1,0,0,0,0|2,0,0]=4 6574 B14R1.476 COc1cccnc1COCCCF 34a_100011998681_100011934791 [1,1,0,0,0,0|2,0,0]=4 6575 B14R1.476 COc1cccnc1COCCCO 34a_100011998681_100000230001 [1,1,0,0,0,0|1,0,0]=3 6576 B14R1.476 COc1cccnc1OCC#CCO 34a_100025773188_200000047223 [1,1,0,0,0,0|1,0,1]=4 6577 B14R1.476 COc1cccnc1OCCCCF 34a_100025773188_100000729493 [1,1,0,0,0,0|2,0,0]=4 6578 B14R1.476 COc1cccnc1OCCCCO 34a_100025773188_100011216708 [1,1,0,0,0,0|1,0,0]=3 6579 B14R1.476 COc1cccnc1SCCCCO 62a_100000210776_100000690851 [1,1,0,0,0,0|1,1,0]=4 6580 B14R1.476 COc1cccnc1SCCCCO 62a_100000767102_100000210776 [1,1,0,0,0,0|1,1,0]=4 6581 B14R1.476 COc1ccncc1CNCCCO 207a_100000182051_200011997045 [1,1,0,0,0,0|2,0,0]=4 6582 B14R1.476 COc1ccncc1CNCCCO 270004a_100000182051_200011997045 [1,1,0,0,0,0|2,0,0]=4 6583 B14R1.476 COc1ccncc1OCC#CCO 34a_100000101186_200000047223 [1,1,0,0,0,0|1,0,1]=4 6584 B14R1.476 COc1ccncc1OCCCCF 34a_100000101186_100000729493 [1,1,0,0,0,0|2,0,0]=4 6585 B14R1.476 COc1ccncc1OCCCCO 34a_100000101186_100011216708 [1,1,0,0,0,0|1,0,0]=3 6586 B14R1.476 COc1ccncc1SCCCCO 62a_100000210776_100011997281 [1,1,0,0,0,0|1,1,0]=4 6587 B14R1.476 COc1ccncc1SCCCCO 62a_100011997281_100000210776 [1,1,0,0,0,0|1,1,0]=4 6588 B14R1.476 COc1cnccc1CNCCCO 207a_100000182051_100011361505 [1,1,0,0,0,0|2,0,0]=4 6589 B14R1.476 COc1cnccc1CNCCCO 270004a_100000182051_100011361505 [1,1,0,0,0,0|2,0,0]=4 6590 B14R1.476 COc1cnccc1CSCCCO 62a_100011215043_100020635607 [1,1,0,0,0,0|1,1,0]=4 6591 B14R1.476 COc1cnccc1CSCCCO 62a_100020635607_100011215043 [1,1,0,0,0,0|1,1,0]=4 6592 B14R1.476 COc1cnccc1SCCCCO 62a_100000210776_100016988167 [1,1,0,0,0,0|1,1,0]=4 6593 B14R1.476 COc1cnccc1SCCCCO 62a_100016988167_100000210776 [1,1,0,0,0,0|1,1,0]=4 6594 B14R1.476 COc1ncccc1CNCCCO 207a_100000182051_100011290804 [1,1,0,0,0,0|2,0,0]=4 6595 B14R1.476 COc1ncccc1CNCCCO 270004a_100000182051_100011290804 [1,1,0,0,0,0|2,0,0]=4 6596 B14R1.476 COc1ncccc1COCCCBr 34a_100011217188_100020631285 [1,1,0,0,0,0|2,0,0]=4 6597 B14R1.476 COc1ncccc1COCCCCl 34a_100000230001_100020631285 [1,1,0,0,0,0|2,0,0]=4 6598 B14R1.476 COc1ncccc1COCCCF 34a_100000717863_100011934791 [1,1,0,0,0,0|2,0,0]=4 6599 B14R1.476 COc1ncccc1COCCCF 34a_100000759539_100020631285 [1,1,0,0,0,0|2,0,0]=4 6600 B14R1.476 COc1ncccc1COCCCN 34a_100000182051_100020631285 [1,1,0,0,0,0|2,0,0]=4 6601 B14R1.476 COc1ncccc1COCCCO 34a_100000717863_100000230001 [1,1,0,0,0,0|1,0,0]=3 6602 B14R1.476 COc1ncccc1CSCCCO 62a_100011215043_100020631285 [1,1,0,0,0,0|1,1,0]=4 6603 B14R1.476 COc1ncccc1CSCCCO 62a_100020631285_100011215043 [1,1,0,0,0,0|1,1,0]=4 6604 B14R1.476 COc1ncccc1OCC#CCO 34a_100000698397_200000047223 [1,1,0,0,0,0|1,0,1]=4 6605 B14R1.476 COc1ncccc1OCC#CCO 7a_100000698397_200000047223 [1,1,0,0,0,0|1,0,1]=4 6606 B14R1.476 COc1ncccc1OCCCC#N 7a_100000698397_100000687738 [1,1,0,0,0,0|2,0,0]=4 6607 B14R1.476 COc1ncccc1OCCCC=O 7a_100000698397_200011292268 [1,1,0,0,0,0|1,0,1]=4 6608 B14R1.476 COc1ncccc1OCCCCF 34a_100000698397_100000729493 [1,1,0,0,0,0|2,0,0]=4 6609 B14R1.476 COc1ncccc1OCCCCF 7a_100000698397_100000729493 [1,1,0,0,0,0|2,0,0]=4 6610 B14R1.476 COc1ncccc1OCCCCO 34a_100000698397_100011216708 [1,1,0,0,0,0|1,0,0]=3 6611 B14R1.476 COc1ncccc1OCCCCO 7a_100000698397_100000210776 [1,1,0,0,0,0|1,0,0]=3 6612 B14R1.476 COc1ncccc1SCCCCO 62a_100000047025_100000210776 [1,1,0,0,0,0|1,1,0]=4 6613 B14R1.476 COc1ncccc1SCCCCO 62a_100000210776_100000047025 [1,1,0,0,0,0|1,1,0]=4 6614 B14R1.476 CSc1ccccc1CNCCCO 207a_100000182051_100011217347 [1,1,0,0,0,0|1,1,0]=4 6615 B14R1.476 CSc1ccccc1CNCCCO 270004a_100000182051_100011217347 [1,1,0,0,0,0|1,1,0]=4 6616 B14R1.476 CSc1ccccc1CNCCCO 34a_102495365025_100000230001 [1,1,0,0,0,0|1,1,0]=4 6617 B14R1.476 CSc1ccccc1COCCCBr 34a_100011217188_100000699184 [1,1,0,0,0,0|1,1,0]=4 6618 B14R1.476 CSc1ccccc1COCCCCl 34a_100000230001_100000699184 [1,1,0,0,0,0|1,1,0]=4 6619 B14R1.476 CSc1ccccc1COCCCF 34a_100000699167_100011934791 [1,1,0,0,0,0|1,1,0]=4 6620 B14R1.476 CSc1ccccc1COCCCF 34a_100000759539_100000699184 [1,1,0,0,0,0|1,1,0]=4 6621 B14R1.476 CSc1ccccc1COCCCN 34a_100000182051_100000699184 [1,1,0,0,0,0|1,1,0]=4 6622 B14R1.476 CSc1ccccc1COCCCO 34a_100000699167_100000230001 [1,1,0,0,0,0|0,1,0]=3 6623 B14R1.476 CSc1ccccc1CSCCCO 62a_100000699184_100011215043 [1,1,0,0,0,0|0,2,0]=4 6624 B14R1.476 CSc1ccccc1CSCCCO 62a_100011215043_100000699184 [1,1,0,0,0,0|0,2,0]=4 6625 B14R1.476 CSc1ccccc1NCCCCO 34a_100000211160_100011216708 [1,1,0,0,0,0|1,1,0]=4 6626 B14R1.476 CSc1ccccc1OCC#CCO 34a_100011216402_200000047223 [1,1,0,0,0,0|0,1,1]=4 6627 B14R1.476 CSc1ccccc1OCCCCF 34a_100011216402_100000729493 [1,1,0,0,0,0|1,1,0]=4 6628 B14R1.476 CSc1ccccc1OCCCCO 34a_100011216402_100011216708 [1,1,0,0,0,0|0,1,0]=3 6629 B14R1.476 CSc1ccccc1OCCNCF 34a_100011893647_100015361967 [1,1,0,0,0,0|1,1,0]=4 6630 B14R1.476 CSc1ccccc1SCCCCO 62a_100000210776_100011217816 [1,1,0,0,0,0|0,2,0]=4 6631 B14R1.476 CSc1ccccc1SCCCCO 62a_100011217816_100000210776 [1,1,0,0,0,0|0,2,0]=4 6632 B14R1.476 N#Cc1ccccc1COCCCO 34a_200011269968_100000230001 [1,1,0,0,0,0|2,0,0]=4 6633 B14R1.476 N#Cc1ccccc1COCCCO 7a_200011269968_100011215043 [1,1,0,0,0,0|2,0,0]=4 6634 B14R1.476 N#Cc1ccccc1OCCCCO 34a_100000211048_100011216708 [1,1,0,0,0,0|2,0,0]=4 6635 B14R1.476 N#Cc1ccccc1OCCCCO 7a_100000211048_100000210776 [1,1,0,0,0,0|2,0,0]=4 6636 B14R1.476 NCc1ccccc1COCCCO 34a_100000743596_100000230001 [1,1,0,0,0,0|2,0,0]=4 6637 B14R1.476 NCc1ccccc1OCCCCO 34a_100000185550_100011216708 [1,1,0,0,0,0|2,0,0]=4 6638 B14R1.476 OCCCCOc1ccccc1CO 34a_100011216872_100011216708 [1,1,0,0,0,0|2,0,0]=4 6639 B14R1.476 OCCCOCc1ccccc1CBr 34a_100009816955_100000230001 [1,1,0,0,0,0|2,0,0]=4 6640 B14R1.476 OCCCOCc1ccccc1CBr 7a_100009816955_100011215043 [1,1,0,0,0,0|2,0,0]=4 6641 B14R1.883 C#CCCOc1cc(ccc1OC)Br 34a_100009816560_100000688953 [1,1,0,0,0,0|1,0,1]=4 6642 B14R1.883 C#CCCOc1cc(ccc1OC)Br 7a_100009816560_100000688953 [1,1,0,0,0,0|1,0,1]=4 6643 B14R1.883 C#CCCOc1cc(ccc1OC)C 34a_100011216497_100000688953 [1,1,0,0,0,0|1,0,1]=4 6644 B14R1.883 C#CCCOc1cc(ccc1OC)C 7a_100011216497_100000688953 [1,1,0,0,0,0|1,0,1]=4 6645 B14R1.883 C#CCCOc1cc(ccc1OC)Cl 34a_100000101779_100000688953 [1,1,0,0,0,0|1,0,1]=4 6646 B14R1.883 C#CCCOc1cc(ccc1OC)Cl 7a_100000101779_100000688953 [1,1,0,0,0,0|1,0,1]=4 6647 B14R1.883 C#CCCOc1cc(ccc1OC)F 34a_100000034962_100000688953 [1,1,0,0,0,0|1,0,1]=4 6648 B14R1.883 C#CCCOc1cc(ccc1OC)F 7a_100000034962_100000688953 [1,1,0,0,0,0|1,0,1]=4 6649 B14R1.883 C#CCCOc1cc(ccc1OC)N 34a_100000211920_100000688953 [1,1,0,0,0,0|1,0,1]=4 6650 B14R1.883 C=CCCOc1cc(ccc1OC)Br 34a_100009816560_100000754431 [1,1,0,0,0,0|1,0,1]=4 6651 B14R1.883 C=CCCOc1cc(ccc1OC)Br 7a_100009816560_100000754431 [1,1,0,0,0,0|1,0,1]=4 6652 B14R1.883 C=CCCOc1cc(ccc1OC)C 34a_100011216497_100000754431 [1,1,0,0,0,0|1,0,1]=4 6653 B14R1.883 C=CCCOc1cc(ccc1OC)C 7a_100011216497_100000754431 [1,1,0,0,0,0|1,0,1]=4 6654 B14R1.883 C=CCCOc1cc(ccc1OC)Cl 34a_100000101779_100000754431 [1,1,0,0,0,0|1,0,1]=4 6655 B14R1.883 C=CCCOc1cc(ccc1OC)Cl 7a_100000101779_100000754431 [1,1,0,0,0,0|1,0,1]=4 6656 B14R1.883 C=CCCOc1cc(ccc1OC)F 34a_100000034962_100000754431 [1,1,0,0,0,0|1,0,1]=4 6657 B14R1.883 C=CCCOc1cc(ccc1OC)F 7a_100000034962_100000754431 [1,1,0,0,0,0|1,0,1]=4 6658 B14R1.883 C=CCCOc1cc(ccc1OC)N 34a_100000211920_100000754431 [1,1,0,0,0,0|1,0,1]=4 6659 B14R1.883 CCCCNc1cc(ccc1OC)Br 34a_100000743470_100000210210 [1,1,0,0,0,0|2,0,0]=4 6660 B14R1.883 CCCCNc1cc(ccc1OC)C 2230a_100000210980_100000210211 [1,1,0,0,0,0|2,0,0]=4 6661 B14R1.883 CCCCNc1cc(ccc1OC)C 34a_100000210980_100000210210 [1,1,0,0,0,0|2,0,0]=4 6662 B14R1.883 CCCCNc1cc(ccc1OC)Cl 34a_100000182114_100000210210 [1,1,0,0,0,0|2,0,0]=4 6663 B14R1.883 CCCCNc1cc(ccc1OC)F 34a_100000757179_100000210210 [1,1,0,0,0,0|2,0,0]=4 6664 B14R1.883 CCCCOc1cc(ccc1NC)F 27a_100102657272_200012344554 [1,1,0,0,0,0|2,0,0]=4 6665 B14R1.883 CCCCOc1cc(ccc1OC)Br 34a_100009816560_100000210210 [1,1,0,0,0,0|1,0,0]=3 6666 B14R1.883 CCCCOc1cc(ccc1OC)Br 7a_100009816560_100000210211 [1,1,0,0,0,0|1,0,0]=3 6667 B14R1.883 CCCCOc1cc(ccc1OC)C 34a_100011216497_100000210210 [1,1,0,0,0,0|1,0,0]=3 6668 B14R1.883 CCCCOc1cc(ccc1OC)C 7a_100011216497_100000210211 [1,1,0,0,0,0|1,0,0]=3 6669 B14R1.883 CCCCOc1cc(ccc1OC)Cl 34a_100000101779_100000210210 [1,1,0,0,0,0|1,0,0]=3 6670 B14R1.883 CCCCOc1cc(ccc1OC)Cl 7a_100000101779_100000210211 [1,1,0,0,0,0|1,0,0]=3 6671 B14R1.883 CCCCOc1cc(ccc1OC)F 34a_100000034962_100000210210 [1,1,0,0,0,0|1,0,0]=3 6672 B14R1.883 CCCCOc1cc(ccc1OC)F 7a_100000034962_100000210211 [1,1,0,0,0,0|1,0,0]=3 6673 B14R1.883 CCCCOc1cc(ccc1OC)N 34a_100000211920_100000210210 [1,1,0,0,0,0|1,0,0]=3 6674 B14R1.883 CCCCOc1cc(ccc1SC)F 62a_200000210301_200012344554 [1,1,0,0,0,0|1,1,0]=4 6675 B14R1.883 CCCCOc1cc(ccc1SC)F 62a_200012344554_200000210301 [1,1,0,0,0,0|1,1,0]=4 6676 B14R1.883 CCCCOc1cc(ccc1S[13CH3])F 62a_200012344554_200025704644 [1,1,0,0,0,0|1,1,0]=4 6677 B14R1.883 CCCCOc1cc(ccc1S[13CH3])F 62a_200025704644_200012344554 [1,1,0,0,0,0|1,1,0]=4 6678 B14R1.883 CCCCOc1cc(cnc1OC)Br 34a_100010135713_100000210210 [1,1,0,0,0,0|2,0,0]=4 6679 B14R1.883 CCCCOc1cc(ncc1OC)Br 34a_100010264082_100000210210 [1,1,0,0,0,0|2,0,0]=4 6680 B14R1.883 CCCCOc1cc(ncc1OC)Cl 34a_100009849459_100000210210 [1,1,0,0,0,0|2,0,0]=4 6681 B14R1.883 CCCCSc1cc(ccc1OC)Br 62a_100000210211_100012351588 [1,1,0,0,0,0|1,1,0]=4 6682 B14R1.883 CCCCSc1cc(ccc1OC)Br 62a_100012351588_100000210210 [1,1,0,0,0,0|1,1,0]=4 6683 B14R1.883 CCCCSc1cc(ccc1OC)C 62a_100000186399_100000210210 [1,1,0,0,0,0|1,1,0]=4 6684 B14R1.883 CCCCSc1cc(ccc1OC)C 62a_100000210211_100000186399 [1,1,0,0,0,0|1,1,0]=4 6685 B14R1.883 CCCCSc1cc(ccc1OC)Cl 62a_100000210211_100011215930 [1,1,0,0,0,0|1,1,0]=4 6686 B14R1.883 CCCCSc1cc(ccc1OC)Cl 62a_100011215930_100000210210 [1,1,0,0,0,0|1,1,0]=4 6687 B14R1.883 CCCCSc1cc(ccc1OC)F 62a_100000171694_100000210210 [1,1,0,0,0,0|1,1,0]=4 6688 B14R1.883 CCCCSc1cc(ccc1OC)F 62a_100000210211_100000171694 [1,1,0,0,0,0|1,1,0]=4 6689 B14R1.883 CCCCSc1cc(ccc1OC)N 62a_100000210211_100011356947 [1,1,0,0,0,0|1,1,0]=4 6690 B14R1.883 CCCCSc1cc(ccc1OC)N 62a_100011356947_100000210210 [1,1,0,0,0,0|1,1,0]=4 6691 B14R1.883 CCCCSc1cc(ccc1OC)O 62a_100000210211_100010234764 [1,1,0,0,0,0|1,1,0]=4 6692 B14R1.883 CCCCSc1cc(ccc1OC)O 62a_100010234764_100000210210 [1,1,0,0,0,0|1,1,0]=4 6693 B14R1.883 CCc1ccc(cc1NCCCO)Br 2230a_100012354963_100000230001 [1,1,0,0,0,0|2,0,0]=4 6694 B14R1.883 CCc1ccc(cc1NCCCO)Br 34a_100012354963_100000230001 [1,1,0,0,0,0|2,0,0]=4 6695 B14R1.883 CCc1ccc(cc1NCCCO)Br 7a_100012354963_100011215043 [1,1,0,0,0,0|2,0,0]=4 6696 B14R1.883 CCc1ccc(cc1NCCCO)Cl 2230a_200012281948_100000230001 [1,1,0,0,0,0|2,0,0]=4 6697 B14R1.883 CCc1ccc(cc1NCCCO)Cl 34a_200012281948_100000230001 [1,1,0,0,0,0|2,0,0]=4 6698 B14R1.883 CCc1ccc(cc1NCCCO)Cl 7a_200012281948_100011215043 [1,1,0,0,0,0|2,0,0]=4 6699 B14R1.883 CNc1ccc(cc1SCCCO)C 62a_100000221369_100011215043 [1,1,0,0,0,0|1,1,0]=4 6700 B14R1.883 CNc1ccc(cc1SCCCO)C 62a_100011215043_100000221369 [1,1,0,0,0,0|1,1,0]=4 6701 B14R1.883 CNc1ccc(cc1SCCCO)F 62a_100011215043_100011246292 [1,1,0,0,0,0|1,1,0]=4 6702 B14R1.883 CNc1ccc(cc1SCCCO)F 62a_100011246292_100011215043 [1,1,0,0,0,0|1,1,0]=4 6703 B14R1.883 COCCOc1cc(ccc1OC)Br 34a_100009816560_100011201679 [1,1,0,0,0,0|2,0,0]=4 6704 B14R1.883 COCCOc1cc(ccc1OC)Br 7a_100009816560_100000233755 [1,1,0,0,0,0|2,0,0]=4 6705 B14R1.883 COCCOc1cc(ccc1OC)C 34a_100011216497_100011201679 [1,1,0,0,0,0|2,0,0]=4 6706 B14R1.883 COCCOc1cc(ccc1OC)C 7a_100011216497_100000233755 [1,1,0,0,0,0|2,0,0]=4 6707 B14R1.883 COCCOc1cc(ccc1OC)Cl 34a_100000101779_100011201679 [1,1,0,0,0,0|2,0,0]=4 6708 B14R1.883 COCCOc1cc(ccc1OC)Cl 7a_100000101779_100000233755 [1,1,0,0,0,0|2,0,0]=4 6709 B14R1.883 COCCOc1cc(ccc1OC)F 34a_100000034962_100011201679 [1,1,0,0,0,0|2,0,0]=4 6710 B14R1.883 COCCOc1cc(ccc1OC)F 7a_100000034962_100000233755 [1,1,0,0,0,0|2,0,0]=4 6711 B14R1.883 COCCOc1cc(ccc1OC)N 34a_100000211920_100011201679 [1,1,0,0,0,0|2,0,0]=4 6712 B14R1.883 COCCOc1cc(ccc1OC)O 271570a_203496583355_200010184853 [1,1,0,0,0,0|2,0,0]=4 6713 B14R1.883 COc1c[nH]c(=O)cc1SCCCO 62a_100011215043_100121573661 [1,1,0,0,0,0|1,1,0]=4 6714 B14R1.883 COc1c[nH]c(=O)cc1SCCCO 62a_100121573661_100011215043 [1,1,0,0,0,0|1,1,0]=4 6715 B14R1.883 COc1ccc(cc1CNCCO)Br 207a_100000210304_100000170026 [1,1,0,0,0,0|2,0,0]=4 6716 B14R1.883 COc1ccc(cc1CNCCO)Br 2230a_100016997473_100000204665 [1,1,0,0,0,0|2,0,0]=4 6717 B14R1.883 COc1ccc(cc1CNCCO)Br 270004a_100000210304_100000170026 [1,1,0,0,0,0|2,0,0]=4 6718 B14R1.883 COc1ccc(cc1CNCCO)Br 34a_100000690498_100000211926 [1,1,0,0,0,0|2,0,0]=4 6719 B14R1.883 COc1ccc(cc1CNCCO)Br 34a_100016990907_100000204665 [1,1,0,0,0,0|2,0,0]=4 6720 B14R1.883 COc1ccc(cc1CNCCO)C 207a_100000210304_100000203738 [1,1,0,0,0,0|2,0,0]=4 6721 B14R1.883 COc1ccc(cc1CNCCO)C 2230a_100016997473_100000199068 [1,1,0,0,0,0|2,0,0]=4 6722 B14R1.883 COc1ccc(cc1CNCCO)C 270004a_100000210304_100000203738 [1,1,0,0,0,0|2,0,0]=4 6723 B14R1.883 COc1ccc(cc1CNCCO)C 34a_100016990907_100000199068 [1,1,0,0,0,0|2,0,0]=4 6724 B14R1.883 COc1ccc(cc1CNCCO)Cl 207a_100000210304_100000188328 [1,1,0,0,0,0|2,0,0]=4 6725 B14R1.883 COc1ccc(cc1CNCCO)Cl 2230a_100000740580_100000211926 [1,1,0,0,0,0|2,0,0]=4 6726 B14R1.883 COc1ccc(cc1CNCCO)Cl 2230a_100016997473_100000209806 [1,1,0,0,0,0|2,0,0]=4 6727 B14R1.883 COc1ccc(cc1CNCCO)Cl 270004a_100000210304_100000188328 [1,1,0,0,0,0|2,0,0]=4 6728 B14R1.883 COc1ccc(cc1CNCCO)Cl 34a_100000740580_100000211926 [1,1,0,0,0,0|2,0,0]=4 6729 B14R1.883 COc1ccc(cc1CNCCO)Cl 34a_100016990907_100000209806 [1,1,0,0,0,0|2,0,0]=4 6730 B14R1.883 COc1ccc(cc1CNCCO)F 207a_100000210304_100000722865 [1,1,0,0,0,0|2,0,0]=4 6731 B14R1.883 COc1ccc(cc1CNCCO)F 2230a_100016997473_100011830354 [1,1,0,0,0,0|2,0,0]=4 6732 B14R1.883 COc1ccc(cc1CNCCO)F 270004a_100000210304_100000722865 [1,1,0,0,0,0|2,0,0]=4 6733 B14R1.883 COc1ccc(cc1CNCCO)F 34a_100011199032_100000211926 [1,1,0,0,0,0|2,0,0]=4 6734 B14R1.883 COc1ccc(cc1CNCCO)F 34a_100016990907_100011830354 [1,1,0,0,0,0|2,0,0]=4 6735 B14R1.883 COc1ccc(cc1CNCCO)I 207a_100000210304_100011266407 [1,1,0,0,0,0|2,0,0]=4 6736 B14R1.883 COc1ccc(cc1CNCCO)I 270004a_100000210304_100011266407 [1,1,0,0,0,0|2,0,0]=4 6737 B14R1.883 COc1ccc(cc1CNCCO)O 207a_100000210304_100000067581 [1,1,0,0,0,0|2,0,0]=4 6738 B14R1.883 COc1ccc(cc1COCCO)Br 34a_100000204679_100000211926 [1,1,0,0,0,0|2,0,0]=4 6739 B14R1.883 COc1ccc(cc1COCCO)Br 7a_100000204679_100000211926 [1,1,0,0,0,0|2,0,0]=4 6740 B14R1.883 COc1ccc(cc1COCCO)C 34a_200000246444_100000211926 [1,1,0,0,0,0|2,0,0]=4 6741 B14R1.883 COc1ccc(cc1COCCO)C 7a_200000246444_100000211926 [1,1,0,0,0,0|2,0,0]=4 6742 B14R1.883 COc1ccc(cc1COCCO)F 34a_100011266440_100000211926 [1,1,0,0,0,0|2,0,0]=4 6743 B14R1.883 COc1ccc(cc1COCCO)F 7a_100011266440_100000211926 [1,1,0,0,0,0|2,0,0]=4 6744 B14R1.883 COc1ccc(cc1COCCO)I 34a_200137411115_100000211926 [1,1,0,0,0,0|2,0,0]=4 6745 B14R1.883 COc1ccc(cc1COCCO)I 7a_200137411115_100000211926 [1,1,0,0,0,0|2,0,0]=4 6746 B14R1.883 COc1ccc(cc1CSCCO)Br 62a_100000204665_100000211926 [1,1,0,0,0,0|2,0,0]=4 6747 B14R1.883 COc1ccc(cc1CSCCO)Br 62a_100000211926_100000204665 [1,1,0,0,0,0|2,0,0]=4 6748 B14R1.883 COc1ccc(cc1CSCCO)C 62a_100000199068_100000211926 [1,1,0,0,0,0|2,0,0]=4 6749 B14R1.883 COc1ccc(cc1CSCCO)C 62a_100000211926_100000199068 [1,1,0,0,0,0|2,0,0]=4 6750 B14R1.883 COc1ccc(cc1CSCCO)Cl 62a_100000209806_100000211926 [1,1,0,0,0,0|2,0,0]=4 6751 B14R1.883 COc1ccc(cc1CSCCO)Cl 62a_100000211926_100000209806 [1,1,0,0,0,0|2,0,0]=4 6752 B14R1.883 COc1ccc(cc1CSCCO)F 62a_100000211926_100011830354 [1,1,0,0,0,0|2,0,0]=4 6753 B14R1.883 COc1ccc(cc1CSCCO)F 62a_100011830354_100000211926 [1,1,0,0,0,0|2,0,0]=4 6754 B14R1.883 COc1ccc(cc1NCCCF)Br 34a_100000743470_100011934791 [1,1,0,0,0,0|2,0,0]=4 6755 B14R1.883 COc1ccc(cc1NCCCF)C 2230a_100000210980_100011934791 [1,1,0,0,0,0|2,0,0]=4 6756 B14R1.883 COc1ccc(cc1NCCCF)C 34a_100000210980_100011934791 [1,1,0,0,0,0|2,0,0]=4 6757 B14R1.883 COc1ccc(cc1NCCCF)Cl 34a_100000182114_100011934791 [1,1,0,0,0,0|2,0,0]=4 6758 B14R1.883 COc1ccc(cc1NCCCF)F 34a_100000757179_100011934791 [1,1,0,0,0,0|2,0,0]=4 6759 B14R1.883 COc1ccc(cc1NCCCO)Br 34a_100000743470_100000230001 [1,1,0,0,0,0|1,0,0]=3 6760 B14R1.883 COc1ccc(cc1NCCCO)C 2230a_100000210980_100000230001 [1,1,0,0,0,0|1,0,0]=3 6761 B14R1.883 COc1ccc(cc1NCCCO)C 34a_100000210980_100000230001 [1,1,0,0,0,0|1,0,0]=3 6762 B14R1.883 COc1ccc(cc1NCCCO)Cl 34a_100000182114_100000230001 [1,1,0,0,0,0|1,0,0]=3 6763 B14R1.883 COc1ccc(cc1NCCCO)F 34a_100000757179_100000230001 [1,1,0,0,0,0|1,0,0]=3 6764 B14R1.883 COc1ccc(cc1OCCC#N)Br 7a_100009816560_100000184422 [1,1,0,0,0,0|1,0,1]=4 6765 B14R1.883 COc1ccc(cc1OCCC#N)C 7a_100011216497_100000184422 [1,1,0,0,0,0|1,0,1]=4 6766 B14R1.883 COc1ccc(cc1OCCC#N)Cl 7a_100000101779_100000184422 [1,1,0,0,0,0|1,0,1]=4 6767 B14R1.883 COc1ccc(cc1OCCC#N)F 7a_100000034962_100000184422 [1,1,0,0,0,0|1,0,1]=4 6768 B14R1.883 COc1ccc(cc1OCCCF)Br 34a_100009816560_100011934791 [1,1,0,0,0,0|1,0,0]=3 6769 B14R1.883 COc1ccc(cc1OCCCF)Br 7a_100009816560_100011934791 [1,1,0,0,0,0|1,0,0]=3 6770 B14R1.883 COc1ccc(cc1OCCCF)C 34a_100011216497_100011934791 [1,1,0,0,0,0|1,0,0]=3 6771 B14R1.883 COc1ccc(cc1OCCCF)C 7a_100011216497_100011934791 [1,1,0,0,0,0|1,0,0]=3 6772 B14R1.883 COc1ccc(cc1OCCCF)Cl 34a_100000101779_100011934791 [1,1,0,0,0,0|1,0,0]=3 6773 B14R1.883 COc1ccc(cc1OCCCF)Cl 7a_100000101779_100011934791 [1,1,0,0,0,0|1,0,0]=3 6774 B14R1.883 COc1ccc(cc1OCCCF)F 34a_100000034962_100011934791 [1,1,0,0,0,0|1,0,0]=3 6775 B14R1.883 COc1ccc(cc1OCCCF)F 7a_100000034962_100011934791 [1,1,0,0,0,0|1,0,0]=3 6776 B14R1.883 COc1ccc(cc1OCCCF)N 34a_100000211920_100011934791 [1,1,0,0,0,0|1,0,0]=3 6777 B14R1.883 COc1ccc(cc1OCCCO)Br 34a_100009816560_100000230001 [1,1,0,0,0,0|0,0,0]=2 6778 B14R1.883 COc1ccc(cc1OCCCO)Br 7a_100009816560_100011215043 [1,1,0,0,0,0|0,0,0]=2 6779 B14R1.883 COc1ccc(cc1OCCCO)C 34a_100011216497_100000230001 [1,1,0,0,0,0|0,0,0]=2 6780 B14R1.883 COc1ccc(cc1OCCCO)C 7a_100011216497_100011215043 [1,1,0,0,0,0|0,0,0]=2 6781 B14R1.883 COc1ccc(cc1OCCCO)Cl 34a_100000101779_100000230001 [1,1,0,0,0,0|0,0,0]=2 6782 B14R1.883 COc1ccc(cc1OCCCO)Cl 7a_100000101779_100011215043 [1,1,0,0,0,0|0,0,0]=2 6783 B14R1.883 COc1ccc(cc1OCCCO)F 34a_100000034962_100000230001 [1,1,0,0,0,0|0,0,0]=2 6784 B14R1.883 COc1ccc(cc1OCCCO)F 7a_100000034962_100011215043 [1,1,0,0,0,0|0,0,0]=2 6785 B14R1.883 COc1ccc(cc1OCCCO)N 34a_100000211920_100000230001 [1,1,0,0,0,0|0,0,0]=2 6786 B14R1.883 COc1ccc(cc1OCCSC)Br 34a_100009816560_100000212216 [1,1,0,0,0,0|2,0,0]=4 6787 B14R1.883 COc1ccc(cc1OCCSC)Br 7a_100009816560_100000212216 [1,1,0,0,0,0|2,0,0]=4 6788 B14R1.883 COc1ccc(cc1OCCSC)C 34a_100011216497_100000212216 [1,1,0,0,0,0|2,0,0]=4 6789 B14R1.883 COc1ccc(cc1OCCSC)C 7a_100011216497_100000212216 [1,1,0,0,0,0|2,0,0]=4 6790 B14R1.883 COc1ccc(cc1OCCSC)Cl 34a_100000101779_100000212216 [1,1,0,0,0,0|2,0,0]=4 6791 B14R1.883 COc1ccc(cc1OCCSC)Cl 7a_100000101779_100000212216 [1,1,0,0,0,0|2,0,0]=4 6792 B14R1.883 COc1ccc(cc1OCCSC)F 34a_100000034962_100000212216 [1,1,0,0,0,0|2,0,0]=4 6793 B14R1.883 COc1ccc(cc1OCCSC)F 7a_100000034962_100000212216 [1,1,0,0,0,0|2,0,0]=4 6794 B14R1.883 COc1ccc(cc1OCCSC)N 34a_100000211920_100000212216 [1,1,0,0,0,0|2,0,0]=4 6795 B14R1.883 COc1ccc(cc1SCCCF)Br 62a_100011934791_100012351588 [1,1,0,0,0,0|1,1,0]=4 6796 B14R1.883 COc1ccc(cc1SCCCF)Br 62a_100012351588_100011934791 [1,1,0,0,0,0|1,1,0]=4 6797 B14R1.883 COc1ccc(cc1SCCCF)C 62a_100000186399_100011934791 [1,1,0,0,0,0|1,1,0]=4 6798 B14R1.883 COc1ccc(cc1SCCCF)C 62a_100011934791_100000186399 [1,1,0,0,0,0|1,1,0]=4 6799 B14R1.883 COc1ccc(cc1SCCCF)Cl 62a_100011215930_100011934791 [1,1,0,0,0,0|1,1,0]=4 6800 B14R1.883 COc1ccc(cc1SCCCF)Cl 62a_100011934791_100011215930 [1,1,0,0,0,0|1,1,0]=4 6801 B14R1.883 COc1ccc(cc1SCCCF)F 62a_100000171694_100011934791 [1,1,0,0,0,0|1,1,0]=4 6802 B14R1.883 COc1ccc(cc1SCCCF)F 62a_100011934791_100000171694 [1,1,0,0,0,0|1,1,0]=4 6803 B14R1.883 COc1ccc(cc1SCCCF)N 62a_100011356947_100011934791 [1,1,0,0,0,0|1,1,0]=4 6804 B14R1.883 COc1ccc(cc1SCCCF)N 62a_100011934791_100011356947 [1,1,0,0,0,0|1,1,0]=4 6805 B14R1.883 COc1ccc(cc1SCCCF)O 62a_100010234764_100011934791 [1,1,0,0,0,0|1,1,0]=4 6806 B14R1.883 COc1ccc(cc1SCCCF)O 62a_100011934791_100010234764 [1,1,0,0,0,0|1,1,0]=4 6807 B14R1.883 COc1ccc(cc1SCCCO)Br 62a_100011215043_100012351588 [1,1,0,0,0,0|0,1,0]=3 6808 B14R1.883 COc1ccc(cc1SCCCO)Br 62a_100012351588_100011215043 [1,1,0,0,0,0|0,1,0]=3 6809 B14R1.883 COc1ccc(cc1SCCCO)C 62a_100000186399_100011215043 [1,1,0,0,0,0|0,1,0]=3 6810 B14R1.883 COc1ccc(cc1SCCCO)C 62a_100011215043_100000186399 [1,1,0,0,0,0|0,1,0]=3 6811 B14R1.883 COc1ccc(cc1SCCCO)Cl 62a_100011215043_100011215930 [1,1,0,0,0,0|0,1,0]=3 6812 B14R1.883 COc1ccc(cc1SCCCO)Cl 62a_100011215930_100011215043 [1,1,0,0,0,0|0,1,0]=3 6813 B14R1.883 COc1ccc(cc1SCCCO)F 62a_100000171694_100011215043 [1,1,0,0,0,0|0,1,0]=3 6814 B14R1.883 COc1ccc(cc1SCCCO)F 62a_100011215043_100000171694 [1,1,0,0,0,0|0,1,0]=3 6815 B14R1.883 COc1ccc(cc1SCCCO)N 62a_100011215043_100011356947 [1,1,0,0,0,0|0,1,0]=3 6816 B14R1.883 COc1ccc(cc1SCCCO)N 62a_100011356947_100011215043 [1,1,0,0,0,0|0,1,0]=3 6817 B14R1.883 COc1ccc(cc1SCCCO)O 62a_100010234764_100011215043 [1,1,0,0,0,0|0,1,0]=3 6818 B14R1.883 COc1ccc(cc1SCCCO)O 62a_100011215043_100010234764 [1,1,0,0,0,0|0,1,0]=3 6819 B14R1.883 COc1ccc(nc1SCCCO)C 62a_100009820875_100011215043 [1,1,0,0,0,0|1,1,0]=4 6820 B14R1.883 COc1ccc(nc1SCCCO)C 62a_100011215043_100009820875 [1,1,0,0,0,0|1,1,0]=4 6821 B14R1.883 COc1ccc(nc1SCCCO)N 62a_100010172607_100011215043 [1,1,0,0,0,0|1,1,0]=4 6822 B14R1.883 COc1ccc(nc1SCCCO)N 62a_100011215043_100010172607 [1,1,0,0,0,0|1,1,0]=4 6823 B14R1.883 COc1cnc(cc1OCCCF)Br 34a_100010264082_100011934791 [1,1,0,0,0,0|2,0,0]=4 6824 B14R1.883 COc1cnc(cc1OCCCF)Cl 34a_100009849459_100011934791 [1,1,0,0,0,0|2,0,0]=4 6825 B14R1.883 COc1cnc(cc1OCCCO)Br 34a_100010264082_100000230001 [1,1,0,0,0,0|1,0,0]=3 6826 B14R1.883 COc1cnc(cc1OCCCO)Cl 34a_100009849459_100000230001 [1,1,0,0,0,0|1,0,0]=3 6827 B14R1.883 COc1cnc(cc1SCCCO)C 62a_100010109759_100011215043 [1,1,0,0,0,0|1,1,0]=4 6828 B14R1.883 COc1cnc(cc1SCCCO)C 62a_100011215043_100010109759 [1,1,0,0,0,0|1,1,0]=4 6829 B14R1.883 COc1ncc(cc1OCCCF)Br 34a_100010135713_100011934791 [1,1,0,0,0,0|2,0,0]=4 6830 B14R1.883 COc1ncc(cc1OCCCO)Br 34a_100010135713_100000230001 [1,1,0,0,0,0|1,0,0]=3 6831 B14R1.883 COc1ncc(cc1SCCCO)Br 62a_100009814608_100011215043 [1,1,0,0,0,0|1,1,0]=4 6832 B14R1.883 COc1ncc(cc1SCCCO)Br 62a_100011215043_100009814608 [1,1,0,0,0,0|1,1,0]=4 6833 B14R1.883 COc1ncc(cc1SCCCO)C 62a_100011215043_100012353929 [1,1,0,0,0,0|1,1,0]=4 6834 B14R1.883 COc1ncc(cc1SCCCO)C 62a_100012353929_100011215043 [1,1,0,0,0,0|1,1,0]=4 6835 B14R1.883 COc1ncc(cc1SCCCO)F 62a_100009828472_100011215043 [1,1,0,0,0,0|1,1,0]=4 6836 B14R1.883 COc1ncc(cc1SCCCO)F 62a_100011215043_100009828472 [1,1,0,0,0,0|1,1,0]=4 6837 B14R1.883 COc1ncc(cc1SCCCO)N 62a_100011215043_100012351452 [1,1,0,0,0,0|1,1,0]=4 6838 B14R1.883 COc1ncc(cc1SCCCO)N 62a_100012351452_100011215043 [1,1,0,0,0,0|1,1,0]=4 6839 B14R1.883 CSc1ccc(cc1NCCCO)Cl 34a_100000745667_100000230001 [1,1,0,0,0,0|1,1,0]=4 6840 B14R1.883 CSc1ccc(cc1SCCCO)C 62a_100011215043_200010201864 [1,1,0,0,0,0|0,2,0]=4 6841 B14R1.883 CSc1ccc(cc1SCCCO)C 62a_200010201864_100011215043 [1,1,0,0,0,0|0,2,0]=4 6842 B14R1.883 CSc1ccc(cc1SCCCO)F 62a_100009817003_100011215043 [1,1,0,0,0,0|0,2,0]=4 6843 B14R1.883 CSc1ccc(cc1SCCCO)F 62a_100011215043_100009817003 [1,1,0,0,0,0|0,2,0]=4 6844 B14R1.883 Cc1ccc(c(c1)OCCCO)C#N 34a_100011640519_100000230001 [1,1,0,0,0,0|2,0,0]=4 6845 B14R1.883 Cc1ccc(c(c1)OCCCO)C#N 7a_100011640519_100011215043 [1,1,0,0,0,0|2,0,0]=4 6846 B14R1.883 N#Cc1ccc(cc1OCCCO)Br 34a_100011934713_100000230001 [1,1,0,0,0,0|2,0,0]=4 6847 B14R1.883 N#Cc1ccc(cc1OCCCO)Br 7a_100011934713_100011215043 [1,1,0,0,0,0|2,0,0]=4 6848 B14R1.883 N#Cc1ccc(cc1OCCCO)Cl 34a_100000688488_100000230001 [1,1,0,0,0,0|2,0,0]=4 6849 B14R1.883 N#Cc1ccc(cc1OCCCO)Cl 7a_100000688488_100011215043 [1,1,0,0,0,0|2,0,0]=4 6850 B14R1.883 N#Cc1ccc(cc1OCCCO)F 34a_100012185923_100000230001 [1,1,0,0,0,0|2,0,0]=4 6851 B14R1.883 N#Cc1ccc(cc1OCCCO)F 7a_100012185923_100011215043 [1,1,0,0,0,0|2,0,0]=4 6852 B14R1.883 N#Cc1ccc(cc1OCCCO)N 34a_100000094571_100000230001 [1,1,0,0,0,0|2,0,0]=4 6853 B14R1.883 N#Cc1ccc(cc1OCCCO)N 7a_100000094571_100011215043 [1,1,0,0,0,0|2,0,0]=4 6854 B14R1.883 OCCCOc1cc(ccc1CO)Br 34a_100000071718_100000230001 [1,1,0,0,0,0|2,0,0]=4 6855 B14R1.883 OCCCOc1cc(ccc1CO)Br 7a_100000071718_100011215043 [1,1,0,0,0,0|2,0,0]=4 6856 B14R1.903 C=C(C)c1ccccc1CCCCO 271570a_100000694244_100012092669 [1,1,0,0,0,0|2,0,0]=4 6857 B14R1.903 C=C(C)c1ccccc1NCCCO 34a_100000037685_100000230001 [1,1,0,0,0,0|2,0,0]=4 6858 B14R1.903 C=C(C)c1ccccc1OCCCC 271570a_100000694244_100000230755 [1,1,0,0,0,0|2,0,0]=4 6859 B14R1.903 CC(=O)c1ccccc1SCCCO 62a_100000751169_100011215043 [1,1,0,0,0,0|1,1,0]=4 6860 B14R1.903 CC(=O)c1ccncc1OCCCO 7a_100009872882_100011215043 [1,1,0,0,0,0|2,0,0]=4 6861 B14R1.903 CC(=O)c1ncccc1OCCCO 34a_100000087166_100000230001 [1,1,0,0,0,0|2,0,0]=4 6862 B14R1.903 CC(=O)c1ncccc1OCCCO 7a_100000087166_100011215043 [1,1,0,0,0,0|2,0,0]=4 6863 B14R1.903 CC(C)c1ccccc1NCCCO 2230a_100000210643_100000230001 [1,1,0,0,0,0|2,0,0]=4 6864 B14R1.903 CC(C)c1ccccc1NCCCO 34a_100000210643_100000230001 [1,1,0,0,0,0|2,0,0]=4 6865 B14R1.903 CC(C)c1ccccc1NCCCO 7a_100000210643_100011215043 [1,1,0,0,0,0|2,0,0]=4 6866 B14R1.903 CC(C)c1ccccc1OCCCF 34a_100000211617_100011934791 [1,1,0,0,0,0|2,0,0]=4 6867 B14R1.903 CC(C)c1ccccc1OCCCF 7a_100000211617_100011934791 [1,1,0,0,0,0|2,0,0]=4 6868 B14R1.903 CC(C)c1ccccc1OCCCO 34a_100000211617_100000230001 [1,1,0,0,0,0|1,0,0]=3 6869 B14R1.903 CC(C)c1ccccc1OCCCO 7a_100000211617_100011215043 [1,1,0,0,0,0|1,0,0]=3 6870 B14R1.903 CC(C)c1ccccc1SCCCO 62a_100000708600_100011215043 [1,1,0,0,0,0|1,1,0]=4 6871 B14R1.903 CC(C)c1ccccc1SCCCO 62a_100011215043_100000708600 [1,1,0,0,0,0|1,1,0]=4 6872 B14R1.903 CC(C)c1ncccc1OCCCO 34a_100012183336_100000230001 [1,1,0,0,0,0|2,0,0]=4 6873 B14R1.903 CC(C)c1ncccc1OCCCO 7a_100012183336_100011215043 [1,1,0,0,0,0|2,0,0]=4 6874 B14R1.903 CC(N)c1ccccc1SCCCO 62a_100000181357_100011215043 [1,1,0,0,0,0|1,1,0]=4 6875 B14R1.903 CC(N)c1ccccc1SCCCO 62a_100011215043_100000181357 [1,1,0,0,0,0|1,1,0]=4 6876 B14R1.903 CC(O)c1ccccc1NCCCO 2230a_100011405641_100000230001 [1,1,0,0,0,0|2,0,0]=4 6877 B14R1.903 CC(O)c1ccccc1OCCCF 34a_200011232679_100011934791 [1,1,0,0,0,0|2,0,0]=4 6878 B14R1.903 CC(O)c1ccccc1OCCCF 7a_200011232679_100011934791 [1,1,0,0,0,0|2,0,0]=4 6879 B14R1.903 CC(O)c1ccccc1OCCCO 34a_200011232679_100000230001 [1,1,0,0,0,0|1,0,0]=3 6880 B14R1.903 CC(O)c1ccccc1OCCCO 7a_200011232679_100011215043 [1,1,0,0,0,0|1,0,0]=3 6881 B14R1.903 CC(O)c1ccccc1SCCCO 62a_100000702211_100011215043 [1,1,0,0,0,0|1,1,0]=4 6882 B14R1.903 CC(O)c1ccccc1SCCCO 62a_100011215043_100000702211 [1,1,0,0,0,0|1,1,0]=4 6883 B14R1.903 CCCCOc1ccccc1C(=O)C 1458a_100000215687_200000210301 [1,1,0,0,0,0|2,0,0]=4 6884 B14R1.903 CCCCOc1ccccc1C(=O)[13CH3] 1458a_100000215687_200025704644 [1,1,0,0,0,0|2,0,0]=4 6885 B14R1.903 CCCCOc1ccccc1C(C)C 34a_100000211617_100000210210 [1,1,0,0,0,0|2,0,0]=4 6886 B14R1.903 CCCCOc1ccccc1C(C)C 7a_100000211617_100000210211 [1,1,0,0,0,0|2,0,0]=4 6887 B14R1.903 CCCCOc1ccccc1C(C)O 34a_200011232679_100000210210 [1,1,0,0,0,0|2,0,0]=4 6888 B14R1.903 CCCCOc1ccccc1C(C)O 7a_200011232679_100000210211 [1,1,0,0,0,0|2,0,0]=4 6889 B14R1.903 CCCCOc1ccccc1[C@@H](C)N 34a_100025703389_100000210210 [1,1,0,0,0,0|2,0,0]=4 6890 B14R1.903 CN(C)c1ccccc1SCCCO 62a_100011215043_100011290883 [1,1,0,0,0,0|1,1,0]=4 6891 B14R1.903 CN(C)c1ccccc1SCCCO 62a_100011290883_100011215043 [1,1,0,0,0,0|1,1,0]=4 6892 B14R1.903 CS(=O)c1ccccc1SCCCO 62a_100000734199_100011215043 [1,1,0,0,0,0|0,2,0]=4 6893 B14R1.903 C[C@@H](N)c1ccccc1OCCCF 34a_100025703389_100011934791 [1,1,0,0,0,0|2,0,0]=4 6894 B14R1.903 C[C@@H](N)c1ccccc1OCCCO 34a_100025703389_100000230001 [1,1,0,0,0,0|1,0,0]=3 6895 B14R1.903 NC(=O)c1ccccc1OCCCO 34a_100000192804_100000230001 [1,1,0,0,0,0|2,0,0]=4 6896 B14R1.903 NC(=O)c1ccccc1OCCCO 7a_100000192804_100011215043 [1,1,0,0,0,0|2,0,0]=4 6897 B14R1.903 NC(=S)c1ccccc1OCCCO 7a_100000745089_100011215043 [1,1,0,0,0,0|2,0,0]=4 6898 B14R1.903 O=C([O-])c1ccccc1OCCCO 7a_100015234032_100011215043 [1,1,0,0,0,0|2,0,0]=4 6899 B14R1.903 O=[N+]([O-])c1ccccc1OCCCO 34a_100000186319_100000230001 [1,1,0,0,0,0|2,0,0]=4 6900 B14R1.903 O=[N+]([O-])c1ccccc1OCCCO 7a_100000186319_100011215043 [1,1,0,0,0,0|2,0,0]=4 6901 B14R1.904 C#CCCOc1ccccc1COC 34a_100011488565_100000688953 [1,1,0,0,0,0|1,0,1]=4 6902 B14R1.904 C#CCCOc1ccccc1COC 7a_100011488565_100000688953 [1,1,0,0,0,0|1,0,1]=4 6903 B14R1.904 C#CCCOc1ccccc1OCC 34a_100000211404_100000688953 [1,1,0,0,0,0|1,0,1]=4 6904 B14R1.904 C#CCCOc1ccccc1OCC 7a_100000211404_100000688953 [1,1,0,0,0,0|1,0,1]=4 6905 B14R1.904 C/C=C/c1ccccc1OCCCC 34a_200000189419_100000210210 [1,1,0,0,0,0|2,0,0]=4 6906 B14R1.904 C/C=C/c1ccccc1OCCCC 7a_200000189419_100000210211 [1,1,0,0,0,0|2,0,0]=4 6907 B14R1.904 C/C=C/c1ccccc1OCCCF 34a_200000189419_100011934791 [1,1,0,0,0,0|2,0,0]=4 6908 B14R1.904 C/C=C/c1ccccc1OCCCF 7a_200000189419_100011934791 [1,1,0,0,0,0|2,0,0]=4 6909 B14R1.904 C/C=C/c1ccccc1OCCCO 34a_200000189419_100000230001 [1,1,0,0,0,0|1,0,0]=3 6910 B14R1.904 C/C=C/c1ccccc1OCCCO 7a_200000189419_100011215043 [1,1,0,0,0,0|1,0,0]=3 6911 B14R1.904 C=CCCOc1ccccc1COC 34a_100011488565_100000754431 [1,1,0,0,0,0|1,0,1]=4 6912 B14R1.904 C=CCCOc1ccccc1COC 7a_100011488565_100000754431 [1,1,0,0,0,0|1,0,1]=4 6913 B14R1.904 C=CCCOc1ccccc1OCC 34a_100000211404_100000754431 [1,1,0,0,0,0|1,0,1]=4 6914 B14R1.904 C=CCCOc1ccccc1OCC 7a_100000211404_100000754431 [1,1,0,0,0,0|1,0,1]=4 6915 B14R1.904 C=CCc1ccccc1OCCCO 34a_100000211836_100000230001 [1,1,0,0,0,0|1,0,1]=4 6916 B14R1.904 C=CCc1ccccc1OCCCO 7a_100000211836_100011215043 [1,1,0,0,0,0|1,0,1]=4 6917 B14R1.904 CC=Cc1ccccc1CCCCO 271570a_100016259895_100012092669 [1,1,0,0,0,0|2,0,0]=4 6918 B14R1.904 CC=Cc1ccccc1OCCCC 271570a_100016259895_100000230755 [1,1,0,0,0,0|2,0,0]=4 6919 B14R1.904 CCCCNc1ccccc1OCC 34a_100000211218_100000210210 [1,1,0,0,0,0|2,0,0]=4 6920 B14R1.904 CCCCOc1ccccc1CCBr 34a_100000722297_100000210210 [1,1,0,0,0,0|2,0,0]=4 6921 B14R1.904 CCCCOc1ccccc1CCBr 7a_100000722297_100000210211 [1,1,0,0,0,0|2,0,0]=4 6922 B14R1.904 CCCCOc1ccccc1CCC 34a_100011217252_100000210210 [1,1,0,0,0,0|2,0,0]=4 6923 B14R1.904 CCCCOc1ccccc1CCC 7a_100011217252_100000210211 [1,1,0,0,0,0|2,0,0]=4 6924 B14R1.904 CCCCOc1ccccc1CCN 34a_100011207237_100000210210 [1,1,0,0,0,0|2,0,0]=4 6925 B14R1.904 CCCCOc1ccccc1CCO 34a_100000719421_100000210210 [1,1,0,0,0,0|2,0,0]=4 6926 B14R1.904 CCCCOc1ccccc1CCO 7a_100000719421_100000210211 [1,1,0,0,0,0|2,0,0]=4 6927 B14R1.904 CCCCOc1ccccc1CNC 207a_100102657272_100000188526 [1,1,0,0,0,0|2,0,0]=4 6928 B14R1.904 CCCCOc1ccccc1CNC 270004a_106832991635_100000188526 [1,1,0,0,0,0|2,0,0]=4 6929 B14R1.904 CCCCOc1ccccc1CNC 34a_100015189988_100000210210 [1,1,0,0,0,0|2,0,0]=4 6930 B14R1.904 CCCCOc1ccccc1COC 34a_100000744431_200000210301 [1,1,0,0,0,0|1,0,0]=3 6931 B14R1.904 CCCCOc1ccccc1COC 34a_100011488565_100000210210 [1,1,0,0,0,0|1,0,0]=3 6932 B14R1.904 CCCCOc1ccccc1COC 7a_100000744431_200000210301 [1,1,0,0,0,0|1,0,0]=3 6933 B14R1.904 CCCCOc1ccccc1COC 7a_100011488565_100000210211 [1,1,0,0,0,0|1,0,0]=3 6934 B14R1.904 CCCCOc1ccccc1CO[13CH3] 34a_100000744431_200025704644 [1,1,0,0,0,0|1,0,0]=3 6935 B14R1.904 CCCCOc1ccccc1CO[13CH3] 7a_100000744431_200025704644 [1,1,0,0,0,0|1,0,0]=3 6936 B14R1.904 CCCCOc1ccccc1NCC 2230a_100000743494_100000210202 [1,1,0,0,0,0|2,0,0]=4 6937 B14R1.904 CCCCOc1ccccc1NCC 34a_100000743494_100000210202 [1,1,0,0,0,0|2,0,0]=4 6938 B14R1.904 CCCCOc1ccccc1NCC 34a_103624766699_100000210210 [1,1,0,0,0,0|2,0,0]=4 6939 B14R1.904 CCCCOc1ccccc1NCC 7a_103624766699_100000210211 [1,1,0,0,0,0|2,0,0]=4 6940 B14R1.904 CCCCOc1ccccc1NCF 34a_100000743494_100015361967 [1,1,0,0,0,0|2,0,0]=4 6941 B14R1.904 CCCCOc1ccccc1OCC 34a_100000211404_100000210210 [1,1,0,0,0,0|1,0,0]=3 6942 B14R1.904 CCCCOc1ccccc1OCC 7a_100000211404_100000210211 [1,1,0,0,0,0|1,0,0]=3 6943 B14R1.904 CCCCOc1ccccc1SCC 62a_100000210202_100000230755 [1,1,0,0,0,0|1,1,0]=4 6944 B14R1.904 CCCCOc1ccccc1SCC 62a_100000230755_100000210202 [1,1,0,0,0,0|1,1,0]=4 6945 B14R1.904 CCCCOc1ccccc1SCF 62a_100000230755_100015361967 [1,1,0,0,0,0|1,1,0]=4 6946 B14R1.904 CCCCOc1ccccc1SCF 62a_100015361967_100000230755 [1,1,0,0,0,0|1,1,0]=4 6947 B14R1.904 CCCCOc1cccnc1OCC 34a_100011998697_100000210210 [1,1,0,0,0,0|2,0,0]=4 6948 B14R1.904 CCCCSc1ccccc1COC 62a_100000210211_100011493684 [1,1,0,0,0,0|1,1,0]=4 6949 B14R1.904 CCCCSc1ccccc1COC 62a_100011493684_100000210210 [1,1,0,0,0,0|1,1,0]=4 6950 B14R1.904 CCCCSc1ccccc1OCC 62a_100000210211_100000230754 [1,1,0,0,0,0|1,1,0]=4 6951 B14R1.904 CCCCSc1ccccc1OCC 62a_100000230754_100000210210 [1,1,0,0,0,0|1,1,0]=4 6952 B14R1.904 CCCc1ccccc1NCCCO 2230a_100000737634_100000230001 [1,1,0,0,0,0|2,0,0]=4 6953 B14R1.904 CCCc1ccccc1NCCCO 34a_100000737634_100000230001 [1,1,0,0,0,0|2,0,0]=4 6954 B14R1.904 CCCc1ccccc1NCCCO 7a_100000737634_100011215043 [1,1,0,0,0,0|2,0,0]=4 6955 B14R1.904 CCCc1ccccc1OCCCF 34a_100011217252_100011934791 [1,1,0,0,0,0|2,0,0]=4 6956 B14R1.904 CCCc1ccccc1OCCCF 7a_100011217252_100011934791 [1,1,0,0,0,0|2,0,0]=4 6957 B14R1.904 CCCc1ccccc1OCCCO 34a_100011217252_100000230001 [1,1,0,0,0,0|1,0,0]=3 6958 B14R1.904 CCCc1ccccc1OCCCO 7a_100011217252_100011215043 [1,1,0,0,0,0|1,0,0]=3 6959 B14R1.904 CCNc1ccccc1OCCCF 34a_103624766699_100011934791 [1,1,0,0,0,0|2,0,0]=4 6960 B14R1.904 CCNc1ccccc1OCCCF 7a_103624766699_100011934791 [1,1,0,0,0,0|2,0,0]=4 6961 B14R1.904 CCNc1ccccc1OCCCO 34a_103624766699_100000230001 [1,1,0,0,0,0|1,0,0]=3 6962 B14R1.904 CCNc1ccccc1OCCCO 7a_103624766699_100011215043 [1,1,0,0,0,0|1,0,0]=3 6963 B14R1.904 CCNc1ccccc1SCCCO 62a_100011215043_114873767003 [1,1,0,0,0,0|1,1,0]=4 6964 B14R1.904 CCNc1ccccc1SCCCO 62a_114873767003_100011215043 [1,1,0,0,0,0|1,1,0]=4 6965 B14R1.904 CCOc1ccccc1CNCCO 207a_100000210304_100000169843 [1,1,0,0,0,0|2,0,0]=4 6966 B14R1.904 CCOc1ccccc1CNCCO 270004a_100000210304_100000169843 [1,1,0,0,0,0|2,0,0]=4 6967 B14R1.904 CCOc1ccccc1COCCO 34a_100000708577_100000211926 [1,1,0,0,0,0|2,0,0]=4 6968 B14R1.904 CCOc1ccccc1COCCO 7a_100000708577_100000211926 [1,1,0,0,0,0|2,0,0]=4 6969 B14R1.904 CCOc1ccccc1NCCCF 34a_100000211218_100011934791 [1,1,0,0,0,0|2,0,0]=4 6970 B14R1.904 CCOc1ccccc1NCCCO 34a_100000211218_100000230001 [1,1,0,0,0,0|1,0,0]=3 6971 B14R1.904 CCOc1ccccc1OCCC#N 7a_100000211404_100000184422 [1,1,0,0,0,0|1,0,1]=4 6972 B14R1.904 CCOc1ccccc1OCCCF 34a_100000211404_100011934791 [1,1,0,0,0,0|1,0,0]=3 6973 B14R1.904 CCOc1ccccc1OCCCF 7a_100000211404_100011934791 [1,1,0,0,0,0|1,0,0]=3 6974 B14R1.904 CCOc1ccccc1OCCCO 34a_100000211404_100000230001 [1,1,0,0,0,0|0,0,0]=2 6975 B14R1.904 CCOc1ccccc1OCCCO 7a_100000211404_100011215043 [1,1,0,0,0,0|0,0,0]=2 6976 B14R1.904 CCOc1ccccc1OCCNC 2230a_100011200955_200000210301 [1,1,0,0,0,0|2,0,0]=4 6977 B14R1.904 CCOc1ccccc1OCCNC 2230a_106832991635_100000764113 [1,1,0,0,0,0|2,0,0]=4 6978 B14R1.904 CCOc1ccccc1OCCNC 34a_100102657272_100000764113 [1,1,0,0,0,0|2,0,0]=4 6979 B14R1.904 CCOc1ccccc1OCCNC 7a_106832991635_100000764113 [1,1,0,0,0,0|2,0,0]=4 6980 B14R1.904 CCOc1ccccc1OCCN[13CH3] 2230a_100011200955_200025704644 [1,1,0,0,0,0|2,0,0]=4 6981 B14R1.904 CCOc1ccccc1OCCOC 34a_100000211404_100011201679 [1,1,0,0,0,0|2,0,0]=4 6982 B14R1.904 CCOc1ccccc1OCCOC 34a_100011305806_200000210301 [1,1,0,0,0,0|2,0,0]=4 6983 B14R1.904 CCOc1ccccc1OCCOC 34a_100138415774_100000764113 [1,1,0,0,0,0|2,0,0]=4 6984 B14R1.904 CCOc1ccccc1OCCOC 7a_100000211404_100000233755 [1,1,0,0,0,0|2,0,0]=4 6985 B14R1.904 CCOc1ccccc1OCCOC 7a_100011305806_200000210301 [1,1,0,0,0,0|2,0,0]=4 6986 B14R1.904 CCOc1ccccc1OCCO[13CH3] 34a_100011305806_200025704644 [1,1,0,0,0,0|2,0,0]=4 6987 B14R1.904 CCOc1ccccc1OCCO[13CH3] 7a_100011305806_200025704644 [1,1,0,0,0,0|2,0,0]=4 6988 B14R1.904 CCOc1ccccc1OCCSC 34a_100000211404_100000212216 [1,1,0,0,0,0|2,0,0]=4 6989 B14R1.904 CCOc1ccccc1OCCSC 62a_100000764113_200000210301 [1,1,0,0,0,0|2,0,0]=4 6990 B14R1.904 CCOc1ccccc1OCCSC 62a_200000210301_100000764113 [1,1,0,0,0,0|2,0,0]=4 6991 B14R1.904 CCOc1ccccc1OCCSC 7a_100000211404_100000212216 [1,1,0,0,0,0|2,0,0]=4 6992 B14R1.904 CCOc1ccccc1OCCS[13CH3] 62a_100000764113_200025704644 [1,1,0,0,0,0|2,0,0]=4 6993 B14R1.904 CCOc1ccccc1OCCS[13CH3] 62a_200025704644_100000764113 [1,1,0,0,0,0|2,0,0]=4 6994 B14R1.904 CCOc1ccccc1SCCCF 62a_100000230754_100011934791 [1,1,0,0,0,0|1,1,0]=4 6995 B14R1.904 CCOc1ccccc1SCCCF 62a_100011934791_100000230754 [1,1,0,0,0,0|1,1,0]=4 6996 B14R1.904 CCOc1ccccc1SCCCO 62a_100000230754_100011215043 [1,1,0,0,0,0|0,1,0]=3 6997 B14R1.904 CCOc1ccccc1SCCCO 62a_100011215043_100000230754 [1,1,0,0,0,0|0,1,0]=3 6998 B14R1.904 CCOc1cccnc1SCCCO 62a_100011215043_100011597540 [1,1,0,0,0,0|1,1,0]=4 6999 B14R1.904 CCOc1cccnc1SCCCO 62a_100011597540_100011215043 [1,1,0,0,0,0|1,1,0]=4 7000 B14R1.904 CCOc1ncccc1OCCCF 34a_100011998697_100011934791 [1,1,0,0,0,0|2,0,0]=4 7001 B14R1.904 CCOc1ncccc1OCCCO 34a_100011998697_100000230001 [1,1,0,0,0,0|1,0,0]=3 7002 B14R1.904 CCOc1ncccc1SCCCO 62a_100011215043_100011465154 [1,1,0,0,0,0|1,1,0]=4 7003 B14R1.904 CCOc1ncccc1SCCCO 62a_100011465154_100011215043 [1,1,0,0,0,0|1,1,0]=4 7004 B14R1.904 CCSc1ccccc1CCCCO 62a_100000210202_100012092669 [1,1,0,0,0,0|1,1,0]=4 7005 B14R1.904 CCSc1ccccc1CCCCO 62a_100012092669_100000210202 [1,1,0,0,0,0|1,1,0]=4 7006 B14R1.904 CCSc1ccccc1NCCCO 34a_100011223125_100000230001 [1,1,0,0,0,0|1,1,0]=4 7007 B14R1.904 CCSc1ccccc1SCCCO 62a_100000230856_100011215043 [1,1,0,0,0,0|0,2,0]=4 7008 B14R1.904 CCSc1ccccc1SCCCO 62a_100011215043_100000230856 [1,1,0,0,0,0|0,2,0]=4 7009 B14R1.904 CNCc1ccccc1OCCCF 34a_100015189988_100011934791 [1,1,0,0,0,0|2,0,0]=4 7010 B14R1.904 CNCc1ccccc1OCCCO 34a_100015189988_100000230001 [1,1,0,0,0,0|1,0,0]=3 7011 B14R1.904 CNCc1ccccc1SCCCO 62a_100000184654_100011215043 [1,1,0,0,0,0|1,1,0]=4 7012 B14R1.904 CNCc1ccccc1SCCCO 62a_100011215043_100000184654 [1,1,0,0,0,0|1,1,0]=4 7013 B14R1.904 COCCOc1ccccc1COC 34a_100000685652_200000210301 [1,1,0,0,0,0|2,0,0]=4 7014 B14R1.904 COCCOc1ccccc1COC 34a_100011488565_100011201679 [1,1,0,0,0,0|2,0,0]=4 7015 B14R1.904 COCCOc1ccccc1COC 7a_100000685652_200000210301 [1,1,0,0,0,0|2,0,0]=4 7016 B14R1.904 COCCOc1ccccc1COC 7a_100011488565_100000233755 [1,1,0,0,0,0|2,0,0]=4 7017 B14R1.904 COCCOc1ccccc1CO[13CH3] 34a_100000685652_200025704644 [1,1,0,0,0,0|2,0,0]=4 7018 B14R1.904 COCCOc1ccccc1CO[13CH3] 7a_100000685652_200025704644 [1,1,0,0,0,0|2,0,0]=4 7019 B14R1.904 COCc1ccccc1OCCC#N 7a_100011488565_100000184422 [1,1,0,0,0,0|1,0,1]=4 7020 B14R1.904 COCc1ccccc1OCCCF 34a_100011488565_100011934791 [1,1,0,0,0,0|1,0,0]=3 7021 B14R1.904 COCc1ccccc1OCCCF 7a_100011488565_100011934791 [1,1,0,0,0,0|1,0,0]=3 7022 B14R1.904 COCc1ccccc1OCCCO 34a_100011488565_100000230001 [1,1,0,0,0,0|0,0,0]=2 7023 B14R1.904 COCc1ccccc1OCCCO 7a_100011488565_100011215043 [1,1,0,0,0,0|0,0,0]=2 7024 B14R1.904 COCc1ccccc1OCCSC 34a_100011488565_100000212216 [1,1,0,0,0,0|2,0,0]=4 7025 B14R1.904 COCc1ccccc1OCCSC 7a_100011488565_100000212216 [1,1,0,0,0,0|2,0,0]=4 7026 B14R1.904 COCc1ccccc1SCCCF 62a_100011493684_100011934791 [1,1,0,0,0,0|1,1,0]=4 7027 B14R1.904 COCc1ccccc1SCCCF 62a_100011934791_100011493684 [1,1,0,0,0,0|1,1,0]=4 7028 B14R1.904 COCc1ccccc1SCCCO 62a_100011215043_100011493684 [1,1,0,0,0,0|0,1,0]=3 7029 B14R1.904 COCc1ccccc1SCCCO 62a_100011493684_100011215043 [1,1,0,0,0,0|0,1,0]=3 7030 B14R1.904 CSCc1ccccc1SCCCO 62a_100000148299_100011215043 [1,1,0,0,0,0|0,2,0]=4 7031 B14R1.904 CSCc1ccccc1SCCCO 62a_100011215043_100000148299 [1,1,0,0,0,0|0,2,0]=4 7032 B14R1.904 FCCCOc1ccccc1CCBr 34a_100000722297_100011934791 [1,1,0,0,0,0|2,0,0]=4 7033 B14R1.904 FCCCOc1ccccc1CCBr 7a_100000722297_100011934791 [1,1,0,0,0,0|2,0,0]=4 7034 B14R1.904 N#CCc1ccccc1OCCCO 34a_100000043107_100000230001 [1,1,0,0,0,0|1,0,1]=4 7035 B14R1.904 N#CCc1ccccc1OCCCO 7a_100000043107_100011215043 [1,1,0,0,0,0|1,0,1]=4 7036 B14R1.904 NCCc1ccccc1OCCCF 34a_100011207237_100011934791 [1,1,0,0,0,0|2,0,0]=4 7037 B14R1.904 NCCc1ccccc1OCCCO 34a_100011207237_100000230001 [1,1,0,0,0,0|1,0,0]=3 7038 B14R1.904 NCCc1ccccc1SCCCO 62a_100000747383_100011215043 [1,1,0,0,0,0|1,1,0]=4 7039 B14R1.904 NCCc1ccccc1SCCCO 62a_100011215043_100000747383 [1,1,0,0,0,0|1,1,0]=4 7040 B14R1.904 OCCCCc1ccccc1SCF 62a_100012092669_100015361967 [1,1,0,0,0,0|1,1,0]=4 7041 B14R1.904 OCCCCc1ccccc1SCF 62a_100015361967_100012092669 [1,1,0,0,0,0|1,1,0]=4 7042 B14R1.904 OCCCNc1ccccc1CCO 2230a_100011215289_100000230001 [1,1,0,0,0,0|2,0,0]=4 7043 B14R1.904 OCCCNc1ccccc1CCO 34a_100011215289_100000230001 [1,1,0,0,0,0|2,0,0]=4 7044 B14R1.904 OCCCOc1ccccc1CCBr 34a_100000722297_100000230001 [1,1,0,0,0,0|1,0,0]=3 7045 B14R1.904 OCCCOc1ccccc1CCBr 7a_100000722297_100011215043 [1,1,0,0,0,0|1,0,0]=3 7046 B14R1.904 OCCCOc1ccccc1CCO 34a_100000719421_100000230001 [1,1,0,0,0,0|1,0,0]=3 7047 B14R1.904 OCCCOc1ccccc1CCO 7a_100000719421_100011215043 [1,1,0,0,0,0|1,0,0]=3 7048 B14R1.904 OCCCSc1ccccc1CCO 62a_100000731337_100011215043 [1,1,0,0,0,0|1,1,0]=4 7049 B14R1.904 OCCCSc1ccccc1CCO 62a_100011215043_100000731337 [1,1,0,0,0,0|1,1,0]=4 7050 B14R1.904 OCCc1ccccc1OCCCF 34a_100000719421_100011934791 [1,1,0,0,0,0|2,0,0]=4 7051 B14R1.904 OCCc1ccccc1OCCCF 7a_100000719421_100011934791 [1,1,0,0,0,0|2,0,0]=4 7052 B14R1.939 CCCCC(=O)c1ccccc1OC 1458a_100000185835_100000210211 [1,1,0,0,0,0|2,0,0]=4 7053 B14R1.939 CCCCN(C)c1ccccc1OC 2230a_100000219746_100000210211 [1,1,0,0,0,0|2,0,0]=4 7054 B14R1.939 CCCCN(C)c1ccccc1OC 269982a_100000219746_100000210211 [1,1,0,0,0,0|2,0,0]=4 7055 B14R1.939 CCCCN(C)c1ccccc1OC 34a_100000219746_100000210210 [1,1,0,0,0,0|2,0,0]=4 7056 B14R1.939 CCc1ccccc1C(=O)CCCO 1458a_100000689120_100011215043 [1,1,0,0,0,0|2,0,0]=4 7057 B14R1.939 COc1ccccc1C(=O)CCCF 1458a_100000185835_100011934791 [1,1,0,0,0,0|2,0,0]=4 7058 B14R1.939 COc1ccccc1C(=O)CCCO 1458a_100000185835_100011215043 [1,1,0,0,0,0|1,0,0]=3 7059 B14R1.939 COc1ccccc1C(=O)NCCO 240690a_100000210304_100000185835 [1,1,0,0,0,0|2,0,0]=4 7060 B14R1.939 COc1ccccc1C(=O)NCCO 527a_100000210304_100000185835 [1,1,0,0,0,0|2,0,0]=4 7061 B14R1.939 COc1ccccc1C(=O)OCCO 7a_100000229999_200000210301 [1,1,0,0,0,0|2,0,0]=4 7062 B14R1.939 COc1ccccc1C(C)NCCO 2230a_100000185323_100000211926 [1,1,0,0,0,0|2,0,0]=4 7063 B14R1.939 COc1ccccc1C(C)NCCO 269862a_100000210304_100000173324 [1,1,0,0,0,0|2,0,0]=4 7064 B14R1.939 COc1ccccc1C(C)OCCO 7a_100000742714_100000211926 [1,1,0,0,0,0|2,0,0]=4 7065 B14R1.939 COc1ccccc1N(C)CCCF 2230a_100000219746_100011934791 [1,1,0,0,0,0|2,0,0]=4 7066 B14R1.939 COc1ccccc1N(C)CCCF 269982a_100000219746_100011934791 [1,1,0,0,0,0|2,0,0]=4 7067 B14R1.939 COc1ccccc1N(C)CCCF 34a_100000219746_100011934791 [1,1,0,0,0,0|2,0,0]=4 7068 B14R1.939 COc1ccccc1N(C)CCCO 2230a_100000219746_100000230001 [1,1,0,0,0,0|1,0,0]=3 7069 B14R1.939 COc1ccccc1N(C)CCCO 269982a_100000219746_100011215043 [1,1,0,0,0,0|1,0,0]=3 7070 B14R1.939 COc1ccccc1N(C)CCCO 34a_100000219746_100000230001 [1,1,0,0,0,0|1,0,0]=3 7071 B14R1.939 CSc1ccccc1C(=O)CCCO 1458a_100000183967_100011215043 [1,1,0,0,0,0|1,1,0]=4 7072 B14R1.939 [13CH3]Oc1ccccc1C(=O)OCCO 7a_100000229999_200025704644 [1,1,0,0,0,0|2,0,0]=4 7073 B14R1.965 C#Cc1ccccc1OC(C)CCO 34a_200011470546_100009893172 [1,1,0,0,0,0|1,0,1]=4 7074 B14R1.965 C#Cc1ccccc1OC(C)CCO 7a_200011470546_100009893172 [1,1,0,0,0,0|1,0,1]=4 7075 B14R1.965 CC(CCO)Oc1ccccc1C#N 34a_100000211048_100009893172 [1,1,0,0,0,0|2,0,0]=4 7076 B14R1.965 CC(CCO)Oc1ccccc1C#N 7a_100000211048_100009893172 [1,1,0,0,0,0|2,0,0]=4 7077 B14R1.965 CC(CCO)Oc1ccccc1CN 34a_100000185550_100009893172 [1,1,0,0,0,0|2,0,0]=4 7078 B14R1.965 CC(CCO)Oc1ccccc1CO 34a_100011216872_100009893172 [1,1,0,0,0,0|2,0,0]=4 7079 B14R1.965 CCCC(C)Nc1ccccc1OC 34a_100000210025_100000766640 [1,1,0,0,0,0|2,0,0]=4 7080 B14R1.965 CCCC(C)Oc1ccccc1CC 34a_100000210936_100000766640 [1,1,0,0,0,0|2,0,0]=4 7081 B14R1.965 CCCC(C)Oc1ccccc1CC 7a_100000210936_100000766640 [1,1,0,0,0,0|2,0,0]=4 7082 B14R1.965 CCCC(C)Oc1ccccc1NC 34a_100000033821_100000766640 [1,1,0,0,0,0|2,0,0]=4 7083 B14R1.965 CCCC(C)Oc1ccccc1OC 34a_100000210385_100000766640 [1,1,0,0,0,0|1,0,0]=3 7084 B14R1.965 CCCC(C)Oc1ccccc1SC 34a_100011216402_100000766640 [1,1,0,0,0,0|1,1,0]=4 7085 B14R1.965 CCCC(C)Oc1cccnc1OC 34a_100000698397_100000766640 [1,1,0,0,0,0|2,0,0]=4 7086 B14R1.965 CCCC(C)Oc1cccnc1OC 7a_100000698397_100000766640 [1,1,0,0,0,0|2,0,0]=4 7087 B14R1.965 CCCC(C)Oc1cnccc1OC 34a_100000101186_100000766640 [1,1,0,0,0,0|2,0,0]=4 7088 B14R1.965 CCCC(C)Oc1ncccc1OC 34a_100025773188_100000766640 [1,1,0,0,0,0|2,0,0]=4 7089 B14R1.965 CCCC(C)Sc1ccccc1OC 62a_100000210334_100000766640 [1,1,0,0,0,0|1,1,0]=4 7090 B14R1.965 CCCC(C)Sc1ccccc1OC 62a_100000766640_100000210334 [1,1,0,0,0,0|1,1,0]=4 7091 B14R1.965 CCOC(C)Oc1ccccc1OC 34a_100000040939_200000210301 [1,1,0,0,0,0|2,0,0]=4 7092 B14R1.965 CCOC(C)Oc1ccccc1OC 7a_100000040939_200000210301 [1,1,0,0,0,0|2,0,0]=4 7093 B14R1.965 CCOC(C)Oc1ccccc1O[13CH3] 34a_100000040939_200025704644 [1,1,0,0,0,0|2,0,0]=4 7094 B14R1.965 CCOC(C)Oc1ccccc1O[13CH3] 7a_100000040939_200025704644 [1,1,0,0,0,0|2,0,0]=4 7095 B14R1.965 CCc1ccccc1NC(C)CCO 2230a_100000212081_100009893172 [1,1,0,0,0,0|2,0,0]=4 7096 B14R1.965 CCc1ccccc1NC(C)CCO 34a_100000212081_100009893172 [1,1,0,0,0,0|2,0,0]=4 7097 B14R1.965 CCc1ccccc1NC(C)CCO 7a_100000212081_100009893172 [1,1,0,0,0,0|2,0,0]=4 7098 B14R1.965 CCc1ccccc1OC(C)CCO 34a_100000210936_100009893172 [1,1,0,0,0,0|1,0,0]=3 7099 B14R1.965 CCc1ccccc1OC(C)CCO 7a_100000210936_100009893172 [1,1,0,0,0,0|1,0,0]=3 7100 B14R1.965 CCc1ccccc1SC(C)CCO 62a_100009893172_100011215823 [1,1,0,0,0,0|1,1,0]=4 7101 B14R1.965 CCc1ccccc1SC(C)CCO 62a_100011215823_100009893172 [1,1,0,0,0,0|1,1,0]=4 7102 B14R1.965 CNc1ccccc1OC(C)CCO 34a_100000033821_100009893172 [1,1,0,0,0,0|1,0,0]=3 7103 B14R1.965 CNc1ccccc1SC(C)CCO 62a_100009893172_100020606079 [1,1,0,0,0,0|1,1,0]=4 7104 B14R1.965 CNc1ccccc1SC(C)CCO 62a_100020606079_100009893172 [1,1,0,0,0,0|1,1,0]=4 7105 B14R1.965 COCC(C)Oc1ccccc1OC 34a_100000210385_100000765312 [1,1,0,0,0,0|2,0,0]=4 7106 B14R1.965 COc1ccccc1CC(=O)CCO 1458a_100000211604_100000211926 [1,1,0,0,0,0|1,0,1]=4 7107 B14R1.965 COc1ccccc1CC(=O)CCO 1458a_100011216618_100000210004 [1,1,0,0,0,0|1,0,1]=4 7108 B14R1.965 COc1ccccc1CN(C)CCO 2230a_100000184376_100000211926 [1,1,0,0,0,0|2,0,0]=4 7109 B14R1.965 COc1ccccc1CN(C)CCO 2230a_100000200488_200000210301 [1,1,0,0,0,0|2,0,0]=4 7110 B14R1.965 COc1ccccc1CN(C)CCO 2230a_100000210263_100000210004 [1,1,0,0,0,0|2,0,0]=4 7111 B14R1.965 COc1ccccc1CN(C)CCO 269982a_100000184376_100000211926 [1,1,0,0,0,0|2,0,0]=4 7112 B14R1.965 COc1ccccc1CN(C)CCO 269982a_100000200488_200000210301 [1,1,0,0,0,0|2,0,0]=4 7113 B14R1.965 COc1ccccc1CN(C)CCO 269982a_100000210263_100000210004 [1,1,0,0,0,0|2,0,0]=4 7114 B14R1.965 COc1ccccc1CN(C)CCO 270004a_100000210263_100000169842 [1,1,0,0,0,0|2,0,0]=4 7115 B14R1.965 COc1ccccc1CN([13CH3])CCO 2230a_100000200488_200025704644 [1,1,0,0,0,0|2,0,0]=4 7116 B14R1.965 COc1ccccc1CN([13CH3])CCO 269982a_100000200488_200025704644 [1,1,0,0,0,0|2,0,0]=4 7117 B14R1.965 COc1ccccc1NC(=O)CCO 22a_100000210025_100011216618 [1,1,0,0,0,0|1,0,1]=4 7118 B14R1.965 COc1ccccc1NC(C)CCO 34a_100000210025_100009893172 [1,1,0,0,0,0|1,0,0]=3 7119 B14R1.965 COc1ccccc1OC(C)CCO 34a_100000210385_100009893172 [1,1,0,0,0,0|0,0,0]=2 7120 B14R1.965 COc1ccccc1SC(C)CCO 62a_100000210334_100009893172 [1,1,0,0,0,0|0,1,0]=3 7121 B14R1.965 COc1ccccc1SC(C)CCO 62a_100009893172_100000210334 [1,1,0,0,0,0|0,1,0]=3 7122 B14R1.965 COc1cccnc1OC(C)CCO 34a_100025773188_100009893172 [1,1,0,0,0,0|1,0,0]=3 7123 B14R1.965 COc1cccnc1SC(C)CCO 62a_100000767102_100009893172 [1,1,0,0,0,0|1,1,0]=4 7124 B14R1.965 COc1cccnc1SC(C)CCO 62a_100009893172_100000690851 [1,1,0,0,0,0|1,1,0]=4 7125 B14R1.965 COc1ccncc1OC(C)CCO 34a_100000101186_100009893172 [1,1,0,0,0,0|1,0,0]=3 7126 B14R1.965 COc1ccncc1SC(C)CCO 62a_100009893172_100011997281 [1,1,0,0,0,0|1,1,0]=4 7127 B14R1.965 COc1ccncc1SC(C)CCO 62a_100011997281_100009893172 [1,1,0,0,0,0|1,1,0]=4 7128 B14R1.965 COc1cnccc1SC(C)CCO 62a_100009893172_100016988167 [1,1,0,0,0,0|1,1,0]=4 7129 B14R1.965 COc1cnccc1SC(C)CCO 62a_100016988167_100009893172 [1,1,0,0,0,0|1,1,0]=4 7130 B14R1.965 COc1ncccc1OC(C)CCO 34a_100000698397_100009893172 [1,1,0,0,0,0|1,0,0]=3 7131 B14R1.965 COc1ncccc1OC(C)CCO 7a_100000698397_100009893172 [1,1,0,0,0,0|1,0,0]=3 7132 B14R1.965 COc1ncccc1SC(C)CCO 62a_100000047025_100009893172 [1,1,0,0,0,0|1,1,0]=4 7133 B14R1.965 COc1ncccc1SC(C)CCO 62a_100009893172_100000047025 [1,1,0,0,0,0|1,1,0]=4 7134 B14R1.965 CSc1ccccc1NC(C)CCO 34a_100000211160_100009893172 [1,1,0,0,0,0|1,1,0]=4 7135 B14R1.965 CSc1ccccc1OC(C)CCO 34a_100011216402_100009893172 [1,1,0,0,0,0|0,1,0]=3 7136 B14R1.965 CSc1ccccc1SC(C)CCO 62a_100009893172_100011217816 [1,1,0,0,0,0|0,2,0]=4 7137 B14R1.965 CSc1ccccc1SC(C)CCO 62a_100011217816_100009893172 [1,1,0,0,0,0|0,2,0]=4 7138 B14R1.3381 C#CCCOc1c(cccc1OC)Br 34a_100000686866_100000688953 [1,1,0,0,0,0|1,0,1]=4 7139 B14R1.3381 C#CCCOc1c(cccc1OC)C 34a_100011219253_100000688953 [1,1,0,0,0,0|1,0,1]=4 7140 B14R1.3381 C#CCCOc1c(cccc1OC)C 7a_100011219253_100000688953 [1,1,0,0,0,0|1,0,1]=4 7141 B14R1.3381 C#CCCOc1c(cccc1OC)Cl 34a_100009851661_100000688953 [1,1,0,0,0,0|1,0,1]=4 7142 B14R1.3381 C#CCCOc1c(cccc1OC)Cl 7a_100009851661_100000688953 [1,1,0,0,0,0|1,0,1]=4 7143 B14R1.3381 C#CCCOc1c(cccc1OC)F 34a_100000036725_100000688953 [1,1,0,0,0,0|1,0,1]=4 7144 B14R1.3381 C#CCCOc1c(cccc1OC)F 7a_100000036725_100000688953 [1,1,0,0,0,0|1,0,1]=4 7145 B14R1.3381 C#CCCOc1c(cccc1OC)N 34a_100000123586_100000688953 [1,1,0,0,0,0|1,0,1]=4 7146 B14R1.3381 C=CCCOc1c(cccc1OC)Br 34a_100000686866_100000754431 [1,1,0,0,0,0|1,0,1]=4 7147 B14R1.3381 C=CCCOc1c(cccc1OC)C 34a_100011219253_100000754431 [1,1,0,0,0,0|1,0,1]=4 7148 B14R1.3381 C=CCCOc1c(cccc1OC)C 7a_100011219253_100000754431 [1,1,0,0,0,0|1,0,1]=4 7149 B14R1.3381 C=CCCOc1c(cccc1OC)Cl 34a_100009851661_100000754431 [1,1,0,0,0,0|1,0,1]=4 7150 B14R1.3381 C=CCCOc1c(cccc1OC)Cl 7a_100009851661_100000754431 [1,1,0,0,0,0|1,0,1]=4 7151 B14R1.3381 C=CCCOc1c(cccc1OC)F 34a_100000036725_100000754431 [1,1,0,0,0,0|1,0,1]=4 7152 B14R1.3381 C=CCCOc1c(cccc1OC)F 7a_100000036725_100000754431 [1,1,0,0,0,0|1,0,1]=4 7153 B14R1.3381 C=CCCOc1c(cccc1OC)N 34a_100000123586_100000754431 [1,1,0,0,0,0|1,0,1]=4 7154 B14R1.3381 CCCCNc1c(cccc1OC)Br 34a_100000708083_100000210210 [1,1,0,0,0,0|2,0,0]=4 7155 B14R1.3381 CCCCNc1c(cccc1OC)C 2230a_100000758225_100000210211 [1,1,0,0,0,0|2,0,0]=4 7156 B14R1.3381 CCCCNc1c(cccc1OC)C 34a_100000758225_100000210210 [1,1,0,0,0,0|2,0,0]=4 7157 B14R1.3381 CCCCNc1c(cccc1OC)Cl 34a_100011309317_100000210210 [1,1,0,0,0,0|2,0,0]=4 7158 B14R1.3381 CCCCNc1c(cccc1OC)F 34a_100000686744_100000210210 [1,1,0,0,0,0|2,0,0]=4 7159 B14R1.3381 CCCCNc1c(cccc1OC)O 34a_100012022766_100000210210 [1,1,0,0,0,0|2,0,0]=4 7160 B14R1.3381 CCCCOc1c(cccc1CC)Br 34a_200010001580_100000210210 [1,1,0,0,0,0|2,0,0]=4 7161 B14R1.3381 CCCCOc1c(cccc1CC)Br 7a_200010001580_100000210211 [1,1,0,0,0,0|2,0,0]=4 7162 B14R1.3381 CCCCOc1c(cccc1CC)C 34a_100000034007_100000210210 [1,1,0,0,0,0|2,0,0]=4 7163 B14R1.3381 CCCCOc1c(cccc1CC)C 7a_100000034007_100000210211 [1,1,0,0,0,0|2,0,0]=4 7164 B14R1.3381 CCCCOc1c(cccc1OC)Br 34a_100000686866_100000210210 [1,1,0,0,0,0|1,0,0]=3 7165 B14R1.3381 CCCCOc1c(cccc1OC)C 34a_100011219253_100000210210 [1,1,0,0,0,0|1,0,0]=3 7166 B14R1.3381 CCCCOc1c(cccc1OC)C 7a_100011219253_100000210211 [1,1,0,0,0,0|1,0,0]=3 7167 B14R1.3381 CCCCOc1c(cccc1OC)Cl 34a_100009851661_100000210210 [1,1,0,0,0,0|1,0,0]=3 7168 B14R1.3381 CCCCOc1c(cccc1OC)Cl 7a_100009851661_100000210211 [1,1,0,0,0,0|1,0,0]=3 7169 B14R1.3381 CCCCOc1c(cccc1OC)F 34a_100000036725_100000210210 [1,1,0,0,0,0|1,0,0]=3 7170 B14R1.3381 CCCCOc1c(cccc1OC)F 7a_100000036725_100000210211 [1,1,0,0,0,0|1,0,0]=3 7171 B14R1.3381 CCCCOc1c(cccc1OC)N 34a_100000123586_100000210210 [1,1,0,0,0,0|1,0,0]=3 7172 B14R1.3381 CCCCSc1c(cccc1OC)Br 62a_100000210211_100010131421 [1,1,0,0,0,0|1,1,0]=4 7173 B14R1.3381 CCCCSc1c(cccc1OC)Br 62a_100010131421_100000210210 [1,1,0,0,0,0|1,1,0]=4 7174 B14R1.3381 CCCCSc1c(cccc1OC)C 62a_100000210211_100010191535 [1,1,0,0,0,0|1,1,0]=4 7175 B14R1.3381 CCCCSc1c(cccc1OC)C 62a_100010191535_100000210210 [1,1,0,0,0,0|1,1,0]=4 7176 B14R1.3381 CCCCSc1c(cccc1OC)F 62a_100000210211_100000703912 [1,1,0,0,0,0|1,1,0]=4 7177 B14R1.3381 CCCCSc1c(cccc1OC)F 62a_100000703912_100000210210 [1,1,0,0,0,0|1,1,0]=4 7178 B14R1.3381 CCCCSc1c(cccc1OC)N 62a_100000210211_100000703447 [1,1,0,0,0,0|1,1,0]=4 7179 B14R1.3381 CCCCSc1c(cccc1OC)N 62a_100000703447_100000210210 [1,1,0,0,0,0|1,1,0]=4 7180 B14R1.3381 CCCCSc1c(cccc1OC)O 62a_100000210211_100010202623 [1,1,0,0,0,0|1,1,0]=4 7181 B14R1.3381 CCc1cccc(c1NCCCO)C 2230a_100000210048_100000230001 [1,1,0,0,0,0|2,0,0]=4 7182 B14R1.3381 CCc1cccc(c1NCCCO)C 34a_100000210048_100000230001 [1,1,0,0,0,0|2,0,0]=4 7183 B14R1.3381 CCc1cccc(c1NCCCO)C 7a_100000210048_100011215043 [1,1,0,0,0,0|2,0,0]=4 7184 B14R1.3381 CCc1cccc(c1OCCCF)Br 34a_200010001580_100011934791 [1,1,0,0,0,0|2,0,0]=4 7185 B14R1.3381 CCc1cccc(c1OCCCF)Br 7a_200010001580_100011934791 [1,1,0,0,0,0|2,0,0]=4 7186 B14R1.3381 CCc1cccc(c1OCCCF)C 34a_100000034007_100011934791 [1,1,0,0,0,0|2,0,0]=4 7187 B14R1.3381 CCc1cccc(c1OCCCF)C 7a_100000034007_100011934791 [1,1,0,0,0,0|2,0,0]=4 7188 B14R1.3381 CCc1cccc(c1OCCCO)Br 34a_200010001580_100000230001 [1,1,0,0,0,0|1,0,0]=3 7189 B14R1.3381 CCc1cccc(c1OCCCO)Br 7a_200010001580_100011215043 [1,1,0,0,0,0|1,0,0]=3 7190 B14R1.3381 CCc1cccc(c1OCCCO)C 34a_100000034007_100000230001 [1,1,0,0,0,0|1,0,0]=3 7191 B14R1.3381 CCc1cccc(c1OCCCO)C 7a_100000034007_100011215043 [1,1,0,0,0,0|1,0,0]=3 7192 B14R1.3381 CCc1cccc(c1SCCCO)C 62a_100000036235_100011215043 [1,1,0,0,0,0|1,1,0]=4 7193 B14R1.3381 CCc1cccc(c1SCCCO)C 62a_100011215043_100000036235 [1,1,0,0,0,0|1,1,0]=4 7194 B14R1.3381 CCc1occc(=O)c1OCCCO 34a_100000033269_100000230001 [1,1,0,0,0,0|2,0,0]=4 7195 B14R1.3381 COCCOc1c(cccc1OC)Br 34a_100000686866_100011201679 [1,1,0,0,0,0|2,0,0]=4 7196 B14R1.3381 COCCOc1c(cccc1OC)C 34a_100011219253_100011201679 [1,1,0,0,0,0|2,0,0]=4 7197 B14R1.3381 COCCOc1c(cccc1OC)C 7a_100011219253_100000233755 [1,1,0,0,0,0|2,0,0]=4 7198 B14R1.3381 COCCOc1c(cccc1OC)Cl 34a_100009851661_100011201679 [1,1,0,0,0,0|2,0,0]=4 7199 B14R1.3381 COCCOc1c(cccc1OC)Cl 7a_100009851661_100000233755 [1,1,0,0,0,0|2,0,0]=4 7200 B14R1.3381 COCCOc1c(cccc1OC)F 34a_100000036725_100011201679 [1,1,0,0,0,0|2,0,0]=4 7201 B14R1.3381 COCCOc1c(cccc1OC)F 7a_100000036725_100000233755 [1,1,0,0,0,0|2,0,0]=4 7202 B14R1.3381 COCCOc1c(cccc1OC)N 34a_100000123586_100011201679 [1,1,0,0,0,0|2,0,0]=4 7203 B14R1.3381 COc1cccc(c1CNCCO)Br 207a_100000210304_100009814803 [1,1,0,0,0,0|2,0,0]=4 7204 B14R1.3381 COc1cccc(c1CNCCO)Br 270004a_100000210304_100009814803 [1,1,0,0,0,0|2,0,0]=4 7205 B14R1.3381 COc1cccc(c1CNCCO)C 207a_100000210304_100000050978 [1,1,0,0,0,0|2,0,0]=4 7206 B14R1.3381 COc1cccc(c1CNCCO)C 270004a_100000210304_100000050978 [1,1,0,0,0,0|2,0,0]=4 7207 B14R1.3381 COc1cccc(c1CNCCO)Cl 207a_100000210304_100000757644 [1,1,0,0,0,0|2,0,0]=4 7208 B14R1.3381 COc1cccc(c1CNCCO)Cl 2230a_100016997473_100012349678 [1,1,0,0,0,0|2,0,0]=4 7209 B14R1.3381 COc1cccc(c1CNCCO)Cl 270004a_100000210304_100000757644 [1,1,0,0,0,0|2,0,0]=4 7210 B14R1.3381 COc1cccc(c1CNCCO)Cl 34a_100016990907_100012349678 [1,1,0,0,0,0|2,0,0]=4 7211 B14R1.3381 COc1cccc(c1CNCCO)F 207a_100000210304_100011216730 [1,1,0,0,0,0|2,0,0]=4 7212 B14R1.3381 COc1cccc(c1CNCCO)F 2230a_100016997473_100011216731 [1,1,0,0,0,0|2,0,0]=4 7213 B14R1.3381 COc1cccc(c1CNCCO)F 270004a_100000210304_100011216730 [1,1,0,0,0,0|2,0,0]=4 7214 B14R1.3381 COc1cccc(c1CNCCO)F 34a_100016990907_100011216731 [1,1,0,0,0,0|2,0,0]=4 7215 B14R1.3381 COc1cccc(c1CNCCO)F 34a_100016992011_100000211926 [1,1,0,0,0,0|2,0,0]=4 7216 B14R1.3381 COc1cccc(c1COCCO)F 34a_100011216733_100000211926 [1,1,0,0,0,0|2,0,0]=4 7217 B14R1.3381 COc1cccc(c1COCCO)F 7a_100011216733_100000211926 [1,1,0,0,0,0|2,0,0]=4 7218 B14R1.3381 COc1cccc(c1CSCCO)Cl 62a_100000211926_100012349678 [1,1,0,0,0,0|2,0,0]=4 7219 B14R1.3381 COc1cccc(c1CSCCO)Cl 62a_100012349678_100000211926 [1,1,0,0,0,0|2,0,0]=4 7220 B14R1.3381 COc1cccc(c1CSCCO)F 62a_100000211926_100011216731 [1,1,0,0,0,0|2,0,0]=4 7221 B14R1.3381 COc1cccc(c1CSCCO)F 62a_100011216731_100000211926 [1,1,0,0,0,0|2,0,0]=4 7222 B14R1.3381 COc1cccc(c1NCCCF)Br 34a_100000708083_100011934791 [1,1,0,0,0,0|2,0,0]=4 7223 B14R1.3381 COc1cccc(c1NCCCF)C 2230a_100000758225_100011934791 [1,1,0,0,0,0|2,0,0]=4 7224 B14R1.3381 COc1cccc(c1NCCCF)C 34a_100000758225_100011934791 [1,1,0,0,0,0|2,0,0]=4 7225 B14R1.3381 COc1cccc(c1NCCCF)Cl 34a_100011309317_100011934791 [1,1,0,0,0,0|2,0,0]=4 7226 B14R1.3381 COc1cccc(c1NCCCF)F 34a_100000686744_100011934791 [1,1,0,0,0,0|2,0,0]=4 7227 B14R1.3381 COc1cccc(c1NCCCF)O 34a_100012022766_100011934791 [1,1,0,0,0,0|2,0,0]=4 7228 B14R1.3381 COc1cccc(c1NCCCO)Br 34a_100000708083_100000230001 [1,1,0,0,0,0|1,0,0]=3 7229 B14R1.3381 COc1cccc(c1NCCCO)C 2230a_100000758225_100000230001 [1,1,0,0,0,0|1,0,0]=3 7230 B14R1.3381 COc1cccc(c1NCCCO)C 34a_100000758225_100000230001 [1,1,0,0,0,0|1,0,0]=3 7231 B14R1.3381 COc1cccc(c1NCCCO)Cl 34a_100011309317_100000230001 [1,1,0,0,0,0|1,0,0]=3 7232 B14R1.3381 COc1cccc(c1NCCCO)F 34a_100000686744_100000230001 [1,1,0,0,0,0|1,0,0]=3 7233 B14R1.3381 COc1cccc(c1NCCCO)O 34a_100012022766_100000230001 [1,1,0,0,0,0|1,0,0]=3 7234 B14R1.3381 COc1cccc(c1OCCC#N)C 7a_100011219253_100000184422 [1,1,0,0,0,0|1,0,1]=4 7235 B14R1.3381 COc1cccc(c1OCCC#N)Cl 7a_100009851661_100000184422 [1,1,0,0,0,0|1,0,1]=4 7236 B14R1.3381 COc1cccc(c1OCCC#N)F 7a_100000036725_100000184422 [1,1,0,0,0,0|1,0,1]=4 7237 B14R1.3381 COc1cccc(c1OCCCF)Br 34a_100000686866_100011934791 [1,1,0,0,0,0|1,0,0]=3 7238 B14R1.3381 COc1cccc(c1OCCCF)C 34a_100011219253_100011934791 [1,1,0,0,0,0|1,0,0]=3 7239 B14R1.3381 COc1cccc(c1OCCCF)C 7a_100011219253_100011934791 [1,1,0,0,0,0|1,0,0]=3 7240 B14R1.3381 COc1cccc(c1OCCCF)Cl 34a_100009851661_100011934791 [1,1,0,0,0,0|1,0,0]=3 7241 B14R1.3381 COc1cccc(c1OCCCF)Cl 7a_100009851661_100011934791 [1,1,0,0,0,0|1,0,0]=3 7242 B14R1.3381 COc1cccc(c1OCCCF)F 34a_100000036725_100011934791 [1,1,0,0,0,0|1,0,0]=3 7243 B14R1.3381 COc1cccc(c1OCCCF)F 7a_100000036725_100011934791 [1,1,0,0,0,0|1,0,0]=3 7244 B14R1.3381 COc1cccc(c1OCCCF)N 34a_100000123586_100011934791 [1,1,0,0,0,0|1,0,0]=3 7245 B14R1.3381 COc1cccc(c1OCCCO)Br 34a_100000686866_100000230001 [1,1,0,0,0,0|0,0,0]=2 7246 B14R1.3381 COc1cccc(c1OCCCO)C 34a_100011219253_100000230001 [1,1,0,0,0,0|0,0,0]=2 7247 B14R1.3381 COc1cccc(c1OCCCO)C 7a_100011219253_100011215043 [1,1,0,0,0,0|0,0,0]=2 7248 B14R1.3381 COc1cccc(c1OCCCO)Cl 34a_100009851661_100000230001 [1,1,0,0,0,0|0,0,0]=2 7249 B14R1.3381 COc1cccc(c1OCCCO)Cl 7a_100009851661_100011215043 [1,1,0,0,0,0|0,0,0]=2 7250 B14R1.3381 COc1cccc(c1OCCCO)F 34a_100000036725_100000230001 [1,1,0,0,0,0|0,0,0]=2 7251 B14R1.3381 COc1cccc(c1OCCCO)F 7a_100000036725_100011215043 [1,1,0,0,0,0|0,0,0]=2 7252 B14R1.3381 COc1cccc(c1OCCCO)N 34a_100000123586_100000230001 [1,1,0,0,0,0|0,0,0]=2 7253 B14R1.3381 COc1cccc(c1OCCSC)Br 34a_100000686866_100000212216 [1,1,0,0,0,0|2,0,0]=4 7254 B14R1.3381 COc1cccc(c1OCCSC)C 34a_100011219253_100000212216 [1,1,0,0,0,0|2,0,0]=4 7255 B14R1.3381 COc1cccc(c1OCCSC)C 7a_100011219253_100000212216 [1,1,0,0,0,0|2,0,0]=4 7256 B14R1.3381 COc1cccc(c1OCCSC)Cl 34a_100009851661_100000212216 [1,1,0,0,0,0|2,0,0]=4 7257 B14R1.3381 COc1cccc(c1OCCSC)Cl 7a_100009851661_100000212216 [1,1,0,0,0,0|2,0,0]=4 7258 B14R1.3381 COc1cccc(c1OCCSC)F 34a_100000036725_100000212216 [1,1,0,0,0,0|2,0,0]=4 7259 B14R1.3381 COc1cccc(c1OCCSC)F 7a_100000036725_100000212216 [1,1,0,0,0,0|2,0,0]=4 7260 B14R1.3381 COc1cccc(c1OCCSC)N 34a_100000123586_100000212216 [1,1,0,0,0,0|2,0,0]=4 7261 B14R1.3381 COc1cccc(c1SCCCF)Br 62a_100010131421_100011934791 [1,1,0,0,0,0|1,1,0]=4 7262 B14R1.3381 COc1cccc(c1SCCCF)Br 62a_100011934791_100010131421 [1,1,0,0,0,0|1,1,0]=4 7263 B14R1.3381 COc1cccc(c1SCCCF)C 62a_100010191535_100011934791 [1,1,0,0,0,0|1,1,0]=4 7264 B14R1.3381 COc1cccc(c1SCCCF)C 62a_100011934791_100010191535 [1,1,0,0,0,0|1,1,0]=4 7265 B14R1.3381 COc1cccc(c1SCCCF)F 62a_100000703912_100011934791 [1,1,0,0,0,0|1,1,0]=4 7266 B14R1.3381 COc1cccc(c1SCCCF)F 62a_100011934791_100000703912 [1,1,0,0,0,0|1,1,0]=4 7267 B14R1.3381 COc1cccc(c1SCCCF)N 62a_100000703447_100011934791 [1,1,0,0,0,0|1,1,0]=4 7268 B14R1.3381 COc1cccc(c1SCCCF)N 62a_100011934791_100000703447 [1,1,0,0,0,0|1,1,0]=4 7269 B14R1.3381 COc1cccc(c1SCCCF)O 62a_100011934791_100010202623 [1,1,0,0,0,0|1,1,0]=4 7270 B14R1.3381 COc1cccc(c1SCCCO)Br 62a_100010131421_100011215043 [1,1,0,0,0,0|0,1,0]=3 7271 B14R1.3381 COc1cccc(c1SCCCO)Br 62a_100011215043_100010131421 [1,1,0,0,0,0|0,1,0]=3 7272 B14R1.3381 COc1cccc(c1SCCCO)C 62a_100010191535_100011215043 [1,1,0,0,0,0|0,1,0]=3 7273 B14R1.3381 COc1cccc(c1SCCCO)C 62a_100011215043_100010191535 [1,1,0,0,0,0|0,1,0]=3 7274 B14R1.3381 COc1cccc(c1SCCCO)F 62a_100000703912_100011215043 [1,1,0,0,0,0|0,1,0]=3 7275 B14R1.3381 COc1cccc(c1SCCCO)F 62a_100011215043_100000703912 [1,1,0,0,0,0|0,1,0]=3 7276 B14R1.3381 COc1cccc(c1SCCCO)N 62a_100000703447_100011215043 [1,1,0,0,0,0|0,1,0]=3 7277 B14R1.3381 COc1cccc(c1SCCCO)N 62a_100011215043_100000703447 [1,1,0,0,0,0|0,1,0]=3 7278 B14R1.3381 COc1cccc(c1SCCCO)O 62a_100011215043_100010202623 [1,1,0,0,0,0|0,1,0]=3 7279 B14R1.3381 COc1ccnc(c1SCCCO)Cl 62a_100010154655_100011215043 [1,1,0,0,0,0|1,1,0]=4 7280 B14R1.3381 COc1ccnc(c1SCCCO)Cl 62a_100011215043_100010154655 [1,1,0,0,0,0|1,1,0]=4 7281 B14R1.3381 COc1nccc(c1SCCCO)C 62a_100011215043_100012353928 [1,1,0,0,0,0|1,1,0]=4 7282 B14R1.3381 COc1nccc(c1SCCCO)C 62a_100012353928_100011215043 [1,1,0,0,0,0|1,1,0]=4 7283 B14R1.3381 COc1nccc(c1SCCCO)N 62a_100010243811_100011215043 [1,1,0,0,0,0|1,1,0]=4 7284 B14R1.3381 COc1nccc(c1SCCCO)N 62a_100011215043_100010243811 [1,1,0,0,0,0|1,1,0]=4 7285 B14R1.3381 Cc1cccc(c1OCCCO)C#N 34a_100011659161_100000230001 [1,1,0,0,0,0|2,0,0]=4 7286 B14R1.3381 Cc1cccc(c1OCCCO)C#N 7a_100011659161_100011215043 [1,1,0,0,0,0|2,0,0]=4 7287 B14R1.3381 Cc1cccc(c1OCCCO)CN 34a_100020639391_100000230001 [1,1,0,0,0,0|2,0,0]=4 7288 B14R1.3381 N#Cc1cccc(c1OCCCO)Br 34a_100009817103_100000230001 [1,1,0,0,0,0|2,0,0]=4 7289 B14R1.3381 N#Cc1cccc(c1OCCCO)Cl 34a_100009866432_100000230001 [1,1,0,0,0,0|2,0,0]=4 7290 B14R1.3381 N#Cc1cccc(c1OCCCO)Cl 7a_100009866432_100011215043 [1,1,0,0,0,0|2,0,0]=4 7291 B14R1.3381 N#Cc1cccc(c1OCCCO)F 34a_100000117915_100000230001 [1,1,0,0,0,0|2,0,0]=4 7292 B14R1.3381 N#Cc1cccc(c1OCCCO)F 7a_100000117915_100011215043 [1,1,0,0,0,0|2,0,0]=4 7293 B14R1.3381 OCCCOc1c(cccc1CO)F 34a_100011997349_100000230001 [1,1,0,0,0,0|2,0,0]=4 7294 B14R1.3381 OCCCOc1c(cccc1CO)F 7a_100011997349_100011215043 [1,1,0,0,0,0|2,0,0]=4 7295 B14R1.3619 C#CCCOc1cccc(c1OC)Br 34a_100010234590_100000688953 [1,1,0,0,0,0|1,0,1]=4 7296 B14R1.3619 C#CCCOc1cccc(c1OC)Cl 34a_200009886253_100000688953 [1,1,0,0,0,0|1,0,1]=4 7297 B14R1.3619 C#CCCOc1cccc(c1OC)Cl 7a_200009886253_100000688953 [1,1,0,0,0,0|1,0,1]=4 7298 B14R1.3619 C=CCCOc1cccc(c1OC)Br 34a_100010234590_100000754431 [1,1,0,0,0,0|1,0,1]=4 7299 B14R1.3619 C=CCCOc1cccc(c1OC)Cl 34a_200009886253_100000754431 [1,1,0,0,0,0|1,0,1]=4 7300 B14R1.3619 C=CCCOc1cccc(c1OC)Cl 7a_200009886253_100000754431 [1,1,0,0,0,0|1,0,1]=4 7301 B14R1.3619 CCCCNc1cccc(c1OC)Br 34a_100011935253_100000210210 [1,1,0,0,0,0|2,0,0]=4 7302 B14R1.3619 CCCCNc1cccc(c1OC)C 34a_100012017360_100000210210 [1,1,0,0,0,0|2,0,0]=4 7303 B14R1.3619 CCCCNc1cccc(c1OC)Cl 2230a_100000743799_100000210211 [1,1,0,0,0,0|2,0,0]=4 7304 B14R1.3619 CCCCNc1cccc(c1OC)Cl 34a_100000743799_100000210210 [1,1,0,0,0,0|2,0,0]=4 7305 B14R1.3619 CCCCNc1cccc(c1OC)F 34a_100011215007_100000210210 [1,1,0,0,0,0|2,0,0]=4 7306 B14R1.3619 CCCCOc1cccc(c1OC)Br 34a_100010234590_100000210210 [1,1,0,0,0,0|1,0,0]=3 7307 B14R1.3619 CCCCOc1cccc(c1OC)Cl 34a_200009886253_100000210210 [1,1,0,0,0,0|1,0,0]=3 7308 B14R1.3619 CCCCOc1cccc(c1OC)Cl 7a_200009886253_100000210211 [1,1,0,0,0,0|1,0,0]=3 7309 B14R1.3619 CCCCOc1cccc(c1SC)C 34a_200000099257_100000210210 [1,1,0,0,0,0|1,1,0]=4 7310 B14R1.3619 CCCCOc1cccc(c1SC)C 7a_200000099257_100000210211 [1,1,0,0,0,0|1,1,0]=4 7311 B14R1.3619 CCCCOc1ccnc(c1OC)Cl 34a_100000104430_100000210210 [1,1,0,0,0,0|2,0,0]=4 7312 B14R1.3619 CCCCSc1cccc(c1OC)Br 62a_100000210211_100010146560 [1,1,0,0,0,0|1,1,0]=4 7313 B14R1.3619 CCCCSc1cccc(c1OC)Br 62a_100010146560_100000210210 [1,1,0,0,0,0|1,1,0]=4 7314 B14R1.3619 CCCCSc1cccc(c1OC)C 62a_100000210211_100010141385 [1,1,0,0,0,0|1,1,0]=4 7315 B14R1.3619 CCCCSc1cccc(c1OC)C 62a_100010141385_100000210210 [1,1,0,0,0,0|1,1,0]=4 7316 B14R1.3619 CCCCSc1cccc(c1OC)Cl 62a_100000210211_100010147678 [1,1,0,0,0,0|1,1,0]=4 7317 B14R1.3619 CCCCSc1cccc(c1OC)Cl 62a_100010147678_100000210210 [1,1,0,0,0,0|1,1,0]=4 7318 B14R1.3619 CCCCSc1cccc(c1OC)F 62a_100000210211_100009816759 [1,1,0,0,0,0|1,1,0]=4 7319 B14R1.3619 CCCCSc1cccc(c1OC)F 62a_100009816759_100000210210 [1,1,0,0,0,0|1,1,0]=4 7320 B14R1.3619 CCCCSc1cccc(c1OC)N 62a_100011935253_100000210210 [1,1,0,0,0,0|1,1,0]=4 7321 B14R1.3619 CCCCSc1cccc(c1OC)O 62a_100000210211_100010234590 [1,1,0,0,0,0|1,1,0]=4 7322 B14R1.3619 CNc1c(cccc1SCCCO)N 62a_100010510394_100011215043 [1,1,0,0,0,0|1,1,0]=4 7323 B14R1.3619 COCCOc1cccc(c1OC)Br 34a_100010234590_100011201679 [1,1,0,0,0,0|2,0,0]=4 7324 B14R1.3619 COCCOc1cccc(c1OC)Cl 34a_200009886253_100011201679 [1,1,0,0,0,0|2,0,0]=4 7325 B14R1.3619 COCCOc1cccc(c1OC)Cl 7a_200009886253_100000233755 [1,1,0,0,0,0|2,0,0]=4 7326 B14R1.3619 COc1c(cccc1CNCCO)Br 207a_100000210304_100000692592 [1,1,0,0,0,0|2,0,0]=4 7327 B14R1.3619 COc1c(cccc1CNCCO)Br 2230a_100016997473_100011470457 [1,1,0,0,0,0|2,0,0]=4 7328 B14R1.3619 COc1c(cccc1CNCCO)Br 270004a_100000210304_100000692592 [1,1,0,0,0,0|2,0,0]=4 7329 B14R1.3619 COc1c(cccc1CNCCO)Br 34a_100016990907_100011470457 [1,1,0,0,0,0|2,0,0]=4 7330 B14R1.3619 COc1c(cccc1CNCCO)C 207a_100000210304_100011361485 [1,1,0,0,0,0|2,0,0]=4 7331 B14R1.3619 COc1c(cccc1CNCCO)C 2230a_100016997473_100012349798 [1,1,0,0,0,0|2,0,0]=4 7332 B14R1.3619 COc1c(cccc1CNCCO)C 270004a_100000210304_100011361485 [1,1,0,0,0,0|2,0,0]=4 7333 B14R1.3619 COc1c(cccc1CNCCO)C 34a_100016990907_100012349798 [1,1,0,0,0,0|2,0,0]=4 7334 B14R1.3619 COc1c(cccc1CNCCO)Cl 207a_100000210304_100011466644 [1,1,0,0,0,0|2,0,0]=4 7335 B14R1.3619 COc1c(cccc1CNCCO)Cl 270004a_100000210304_100011466644 [1,1,0,0,0,0|2,0,0]=4 7336 B14R1.3619 COc1c(cccc1CNCCO)F 207a_100000210304_100011830294 [1,1,0,0,0,0|2,0,0]=4 7337 B14R1.3619 COc1c(cccc1CNCCO)F 270004a_100000210304_100011830294 [1,1,0,0,0,0|2,0,0]=4 7338 B14R1.3619 COc1c(cccc1CNCCO)F 34a_100137345168_100000211926 [1,1,0,0,0,0|2,0,0]=4 7339 B14R1.3619 COc1c(cccc1COCCO)Br 34a_100000704359_100000211926 [1,1,0,0,0,0|2,0,0]=4 7340 B14R1.3619 COc1c(cccc1COCCO)Br 7a_100000704359_100000211926 [1,1,0,0,0,0|2,0,0]=4 7341 B14R1.3619 COc1c(cccc1COCCO)C 34a_100012184769_100000211926 [1,1,0,0,0,0|2,0,0]=4 7342 B14R1.3619 COc1c(cccc1COCCO)C 7a_100012184769_100000211926 [1,1,0,0,0,0|2,0,0]=4 7343 B14R1.3619 COc1c(cccc1COCCO)F 34a_100011830279_100000211926 [1,1,0,0,0,0|2,0,0]=4 7344 B14R1.3619 COc1c(cccc1COCCO)F 7a_100011830279_100000211926 [1,1,0,0,0,0|2,0,0]=4 7345 B14R1.3619 COc1c(cccc1CSCCO)Br 62a_100000211926_100011470457 [1,1,0,0,0,0|2,0,0]=4 7346 B14R1.3619 COc1c(cccc1CSCCO)Br 62a_100011470457_100000211926 [1,1,0,0,0,0|2,0,0]=4 7347 B14R1.3619 COc1c(cccc1CSCCO)C 62a_100000211926_100012349798 [1,1,0,0,0,0|2,0,0]=4 7348 B14R1.3619 COc1c(cccc1CSCCO)C 62a_100012349798_100000211926 [1,1,0,0,0,0|2,0,0]=4 7349 B14R1.3619 COc1c(cccc1NCCCF)Br 34a_100011935253_100011934791 [1,1,0,0,0,0|2,0,0]=4 7350 B14R1.3619 COc1c(cccc1NCCCF)C 34a_100012017360_100011934791 [1,1,0,0,0,0|2,0,0]=4 7351 B14R1.3619 COc1c(cccc1NCCCF)Cl 2230a_100000743799_100011934791 [1,1,0,0,0,0|2,0,0]=4 7352 B14R1.3619 COc1c(cccc1NCCCF)Cl 34a_100000743799_100011934791 [1,1,0,0,0,0|2,0,0]=4 7353 B14R1.3619 COc1c(cccc1NCCCF)F 34a_100011215007_100011934791 [1,1,0,0,0,0|2,0,0]=4 7354 B14R1.3619 COc1c(cccc1NCCCO)Br 34a_100011935253_100000230001 [1,1,0,0,0,0|1,0,0]=3 7355 B14R1.3619 COc1c(cccc1NCCCO)C 34a_100012017360_100000230001 [1,1,0,0,0,0|1,0,0]=3 7356 B14R1.3619 COc1c(cccc1NCCCO)Cl 2230a_100000743799_100000230001 [1,1,0,0,0,0|1,0,0]=3 7357 B14R1.3619 COc1c(cccc1NCCCO)Cl 34a_100000743799_100000230001 [1,1,0,0,0,0|1,0,0]=3 7358 B14R1.3619 COc1c(cccc1NCCCO)F 34a_100011215007_100000230001 [1,1,0,0,0,0|1,0,0]=3 7359 B14R1.3619 COc1c(cccc1OCCC#N)Cl 7a_200009886253_100000184422 [1,1,0,0,0,0|1,0,1]=4 7360 B14R1.3619 COc1c(cccc1OCCCF)Br 34a_100010234590_100011934791 [1,1,0,0,0,0|1,0,0]=3 7361 B14R1.3619 COc1c(cccc1OCCCF)Cl 34a_200009886253_100011934791 [1,1,0,0,0,0|1,0,0]=3 7362 B14R1.3619 COc1c(cccc1OCCCF)Cl 7a_200009886253_100011934791 [1,1,0,0,0,0|1,0,0]=3 7363 B14R1.3619 COc1c(cccc1OCCCO)Br 34a_100010234590_100000230001 [1,1,0,0,0,0|0,0,0]=2 7364 B14R1.3619 COc1c(cccc1OCCCO)Cl 34a_200009886253_100000230001 [1,1,0,0,0,0|0,0,0]=2 7365 B14R1.3619 COc1c(cccc1OCCCO)Cl 7a_200009886253_100011215043 [1,1,0,0,0,0|0,0,0]=2 7366 B14R1.3619 COc1c(cccc1OCCSC)Br 34a_100010234590_100000212216 [1,1,0,0,0,0|2,0,0]=4 7367 B14R1.3619 COc1c(cccc1OCCSC)Cl 34a_200009886253_100000212216 [1,1,0,0,0,0|2,0,0]=4 7368 B14R1.3619 COc1c(cccc1OCCSC)Cl 7a_200009886253_100000212216 [1,1,0,0,0,0|2,0,0]=4 7369 B14R1.3619 COc1c(cccc1SCCCF)Br 62a_100010146560_100011934791 [1,1,0,0,0,0|1,1,0]=4 7370 B14R1.3619 COc1c(cccc1SCCCF)Br 62a_100011934791_100010146560 [1,1,0,0,0,0|1,1,0]=4 7371 B14R1.3619 COc1c(cccc1SCCCF)C 62a_100010141385_100011934791 [1,1,0,0,0,0|1,1,0]=4 7372 B14R1.3619 COc1c(cccc1SCCCF)C 62a_100011934791_100010141385 [1,1,0,0,0,0|1,1,0]=4 7373 B14R1.3619 COc1c(cccc1SCCCF)Cl 62a_100010147678_100011934791 [1,1,0,0,0,0|1,1,0]=4 7374 B14R1.3619 COc1c(cccc1SCCCF)Cl 62a_100011934791_100010147678 [1,1,0,0,0,0|1,1,0]=4 7375 B14R1.3619 COc1c(cccc1SCCCF)F 62a_100009816759_100011934791 [1,1,0,0,0,0|1,1,0]=4 7376 B14R1.3619 COc1c(cccc1SCCCF)F 62a_100011934791_100009816759 [1,1,0,0,0,0|1,1,0]=4 7377 B14R1.3619 COc1c(cccc1SCCCF)N 62a_100011935253_100011934791 [1,1,0,0,0,0|1,1,0]=4 7378 B14R1.3619 COc1c(cccc1SCCCF)O 62a_100011934791_100010234590 [1,1,0,0,0,0|1,1,0]=4 7379 B14R1.3619 COc1c(cccc1SCCCO)Br 62a_100010146560_100011215043 [1,1,0,0,0,0|0,1,0]=3 7380 B14R1.3619 COc1c(cccc1SCCCO)Br 62a_100011215043_100010146560 [1,1,0,0,0,0|0,1,0]=3 7381 B14R1.3619 COc1c(cccc1SCCCO)C 62a_100010141385_100011215043 [1,1,0,0,0,0|0,1,0]=3 7382 B14R1.3619 COc1c(cccc1SCCCO)C 62a_100011215043_100010141385 [1,1,0,0,0,0|0,1,0]=3 7383 B14R1.3619 COc1c(cccc1SCCCO)Cl 62a_100010147678_100011215043 [1,1,0,0,0,0|0,1,0]=3 7384 B14R1.3619 COc1c(cccc1SCCCO)Cl 62a_100011215043_100010147678 [1,1,0,0,0,0|0,1,0]=3 7385 B14R1.3619 COc1c(cccc1SCCCO)F 62a_100009816759_100011215043 [1,1,0,0,0,0|0,1,0]=3 7386 B14R1.3619 COc1c(cccc1SCCCO)F 62a_100011215043_100009816759 [1,1,0,0,0,0|0,1,0]=3 7387 B14R1.3619 COc1c(cccc1SCCCO)N 62a_100011935253_100011215043 [1,1,0,0,0,0|0,1,0]=3 7388 B14R1.3619 COc1c(cccc1SCCCO)O 62a_100011215043_100010234590 [1,1,0,0,0,0|0,1,0]=3 7389 B14R1.3619 COc1c(ccnc1C)SCCCO 62a_100000685116_100011215043 [1,1,0,0,0,0|1,1,0]=4 7390 B14R1.3619 COc1c(ccnc1C)SCCCO 62a_100011215043_100000685116 [1,1,0,0,0,0|1,1,0]=4 7391 B14R1.3619 COc1c(ccnc1Cl)OCCCF 34a_100000104430_100011934791 [1,1,0,0,0,0|2,0,0]=4 7392 B14R1.3619 COc1c(ccnc1Cl)OCCCO 34a_100000104430_100000230001 [1,1,0,0,0,0|1,0,0]=3 7393 B14R1.3619 COc1c(ccnc1Cl)SCCCO 62a_100010068014_100011215043 [1,1,0,0,0,0|1,1,0]=4 7394 B14R1.3619 COc1c(ccnc1Cl)SCCCO 62a_100011215043_100010068014 [1,1,0,0,0,0|1,1,0]=4 7395 B14R1.3619 COc1c(ccnc1N)SCCCO 62a_100009880012_100011215043 [1,1,0,0,0,0|1,1,0]=4 7396 B14R1.3619 COc1c(ccnc1N)SCCCO 62a_100011215043_100009880012 [1,1,0,0,0,0|1,1,0]=4 7397 B14R1.3619 COc1c(ccnc1SCCCO)N 62a_100000104429_100011215043 [1,1,0,0,0,0|1,1,0]=4 7398 B14R1.3619 COc1c(ccnc1SCCCO)N 62a_100011215043_100000104429 [1,1,0,0,0,0|1,1,0]=4 7399 B14R1.3619 COc1c(ccnc1SCCCO)O 62a_100011215043_100000104430 [1,1,0,0,0,0|1,1,0]=4 7400 B14R1.3619 COc1c(cncc1SCCCO)N 62a_100011215043_100012359933 [1,1,0,0,0,0|1,1,0]=4 7401 B14R1.3619 COc1c(cncc1SCCCO)N 62a_100012359933_100011215043 [1,1,0,0,0,0|1,1,0]=4 7402 B14R1.3619 CSc1c(cccc1OCCCF)C 34a_200000099257_100011934791 [1,1,0,0,0,0|1,1,0]=4 7403 B14R1.3619 CSc1c(cccc1OCCCF)C 7a_200000099257_100011934791 [1,1,0,0,0,0|1,1,0]=4 7404 B14R1.3619 CSc1c(cccc1OCCCO)C 34a_200000099257_100000230001 [1,1,0,0,0,0|0,1,0]=3 7405 B14R1.3619 CSc1c(cccc1OCCCO)C 7a_200000099257_100011215043 [1,1,0,0,0,0|0,1,0]=3 7406 B14R1.3619 CSc1c(cccc1SCCCO)F 62a_100011215043_200010709249 [1,1,0,0,0,0|0,2,0]=4 7407 B14R1.3619 CSc1c(cccc1SCCCO)F 62a_200010709249_100011215043 [1,1,0,0,0,0|0,2,0]=4 7408 B14R1.3619 Cc1cccc(c1C#N)OCCCO 34a_100000079363_100000230001 [1,1,0,0,0,0|2,0,0]=4 7409 B14R1.3619 Cc1cccc(c1C#N)OCCCO 7a_100000079363_100011215043 [1,1,0,0,0,0|2,0,0]=4 7410 B14R1.3619 Cc1cccc(c1CO)OCCCO 34a_200009874777_100000230001 [1,1,0,0,0,0|2,0,0]=4 7411 B14R1.3619 Cc1cccc(c1CO)OCCCO 7a_200009874777_100011215043 [1,1,0,0,0,0|2,0,0]=4 7412 B14R1.3619 N#Cc1c(cccc1OCCCO)Br 34a_100012180507_100000230001 [1,1,0,0,0,0|2,0,0]=4 7413 B14R1.3619 N#Cc1c(cccc1OCCCO)Br 7a_100012180507_100011215043 [1,1,0,0,0,0|2,0,0]=4 7414 B14R1.3619 N#Cc1c(cccc1OCCCO)Cl 34a_100000764475_100000230001 [1,1,0,0,0,0|2,0,0]=4 7415 B14R1.3619 N#Cc1c(cccc1OCCCO)Cl 7a_100000764475_100011215043 [1,1,0,0,0,0|2,0,0]=4 7416 B14R1.3619 N#Cc1c(cccc1OCCCO)F 34a_100000741147_100000230001 [1,1,0,0,0,0|2,0,0]=4 7417 B14R1.3619 N#Cc1c(cccc1OCCCO)F 7a_100000741147_100011215043 [1,1,0,0,0,0|2,0,0]=4 7418 B14R1.93 C#Cc1ccccc1OCC(C)(C)O 34a_200011470546_100000764493 [1,1,0,0,0,0|1,0,1]=4 7419 B14R1.93 C#Cc1ccccc1OCC(C)(C)O 7a_200011470546_100000764493 [1,1,0,0,0,0|1,0,1]=4 7420 B14R1.93 CC(C)(O)CCc1ccccc1O[13CH3] 34a_100000043598_200025704644 [1,1,0,0,0,0|1,0,0]=3 7421 B14R1.93 CC(C)(O)CCc1ccccc1O[13CH3] 7a_100000043598_200025704644 [1,1,0,0,0,0|1,0,0]=3 7422 B14R1.93 CC(C)(O)COc1ccccc1C#N 34a_100000211048_100000764493 [1,1,0,0,0,0|2,0,0]=4 7423 B14R1.93 CC(C)(O)COc1ccccc1C#N 7a_100000211048_100000764493 [1,1,0,0,0,0|2,0,0]=4 7424 B14R1.93 CC(C)(O)COc1ccccc1CN 34a_100000185550_100000764493 [1,1,0,0,0,0|2,0,0]=4 7425 B14R1.93 CC(C)(O)COc1ccccc1CO 34a_100011216872_100000764493 [1,1,0,0,0,0|2,0,0]=4 7426 B14R1.93 CCc1ccccc1NCC(C)(C)O 34a_100000212081_100000764493 [1,1,0,0,0,0|2,0,0]=4 7427 B14R1.93 CCc1ccccc1NCC(C)(C)O 7a_100000212081_100000764493 [1,1,0,0,0,0|2,0,0]=4 7428 B14R1.93 CCc1ccccc1OCC(C)(C)C 34a_100000210936_100011219605 [1,1,0,0,0,0|2,0,0]=4 7429 B14R1.93 CCc1ccccc1OCC(C)(C)F 34a_100000210936_100011997219 [1,1,0,0,0,0|2,0,0]=4 7430 B14R1.93 CCc1ccccc1OCC(C)(C)O 34a_100000210936_100000764493 [1,1,0,0,0,0|1,0,0]=3 7431 B14R1.93 CCc1ccccc1OCC(C)(C)O 7a_100000210936_100000764493 [1,1,0,0,0,0|1,0,0]=3 7432 B14R1.93 CCc1ccccc1SCC(C)(C)O 62a_100000764493_100011215823 [1,1,0,0,0,0|1,1,0]=4 7433 B14R1.93 CCc1ccccc1SCC(C)(C)O 62a_100011215823_100000764493 [1,1,0,0,0,0|1,1,0]=4 7434 B14R1.93 CNc1ccccc1OCC(C)(C)C 34a_100000033821_100011219605 [1,1,0,0,0,0|2,0,0]=4 7435 B14R1.93 CNc1ccccc1OCC(C)(C)F 34a_100000033821_100011997219 [1,1,0,0,0,0|2,0,0]=4 7436 B14R1.93 CNc1ccccc1OCC(C)(C)O 34a_100000033821_100000764493 [1,1,0,0,0,0|1,0,0]=3 7437 B14R1.93 CNc1ccccc1SCC(C)(C)O 62a_100000764493_100020606079 [1,1,0,0,0,0|1,1,0]=4 7438 B14R1.93 CNc1ccccc1SCC(C)(C)O 62a_100020606079_100000764493 [1,1,0,0,0,0|1,1,0]=4 7439 B14R1.93 COc1ccccc1C=CC(C)(C)O 271570a_200016258132_100000174000 [1,1,0,0,0,0|1,0,1]=4 7440 B14R1.93 COc1ccccc1CCC(C)(C)O 34a_100000043598_200000210301 [1,1,0,0,0,0|1,0,0]=3 7441 B14R1.93 COc1ccccc1CCC(C)(C)O 7a_100000043598_200000210301 [1,1,0,0,0,0|1,0,0]=3 7442 B14R1.93 COc1ccccc1NCC(C)(C)C 34a_100000210025_100011219605 [1,1,0,0,0,0|2,0,0]=4 7443 B14R1.93 COc1ccccc1NCC(C)(C)F 34a_100000210025_100011997219 [1,1,0,0,0,0|2,0,0]=4 7444 B14R1.93 COc1ccccc1NCC(C)(C)O 34a_100000210025_100000764493 [1,1,0,0,0,0|1,0,0]=3 7445 B14R1.93 COc1ccccc1OCC(C)(C)C 34a_100000210385_100011219605 [1,1,0,0,0,0|1,0,0]=3 7446 B14R1.93 COc1ccccc1OCC(C)(C)F 34a_100000210385_100011997219 [1,1,0,0,0,0|1,0,0]=3 7447 B14R1.93 COc1ccccc1OCC(C)(C)O 34a_100000210385_100000764493 [1,1,0,0,0,0|0,0,0]=2 7448 B14R1.93 COc1ccccc1OCC(F)(F)F 34a_100000750312_200000210301 [1,1,0,0,0,0|2,0,0]=4 7449 B14R1.93 COc1ccccc1OCC(F)(F)F 7a_100000750312_200000210301 [1,1,0,0,0,0|2,0,0]=4 7450 B14R1.93 COc1ccccc1SCC(C)(C)C 62a_100000210334_100011219605 [1,1,0,0,0,0|1,1,0]=4 7451 B14R1.93 COc1ccccc1SCC(C)(C)C 62a_100011219605_100000210334 [1,1,0,0,0,0|1,1,0]=4 7452 B14R1.93 COc1ccccc1SCC(C)(C)F 62a_100000210334_100011997219 [1,1,0,0,0,0|1,1,0]=4 7453 B14R1.93 COc1ccccc1SCC(C)(C)F 62a_100011997219_100000210334 [1,1,0,0,0,0|1,1,0]=4 7454 B14R1.93 COc1ccccc1SCC(C)(C)O 62a_100000210334_100000764493 [1,1,0,0,0,0|0,1,0]=3 7455 B14R1.93 COc1ccccc1SCC(C)(C)O 62a_100000764493_100000210334 [1,1,0,0,0,0|0,1,0]=3 7456 B14R1.93 COc1cccnc1OCC(C)(C)C 34a_100025773188_100011219605 [1,1,0,0,0,0|2,0,0]=4 7457 B14R1.93 COc1cccnc1OCC(C)(C)F 34a_100025773188_100011997219 [1,1,0,0,0,0|2,0,0]=4 7458 B14R1.93 COc1cccnc1OCC(C)(C)O 34a_100025773188_100000764493 [1,1,0,0,0,0|1,0,0]=3 7459 B14R1.93 COc1cccnc1SCC(C)(C)O 62a_100000764493_100000690851 [1,1,0,0,0,0|1,1,0]=4 7460 B14R1.93 COc1cccnc1SCC(C)(C)O 62a_100000767102_100000764493 [1,1,0,0,0,0|1,1,0]=4 7461 B14R1.93 COc1ccncc1OCC(C)(C)C 34a_100000101186_100011219605 [1,1,0,0,0,0|2,0,0]=4 7462 B14R1.93 COc1ccncc1OCC(C)(C)F 34a_100000101186_100011997219 [1,1,0,0,0,0|2,0,0]=4 7463 B14R1.93 COc1ccncc1OCC(C)(C)O 34a_100000101186_100000764493 [1,1,0,0,0,0|1,0,0]=3 7464 B14R1.93 COc1ccncc1SCC(C)(C)O 62a_100000764493_100011997281 [1,1,0,0,0,0|1,1,0]=4 7465 B14R1.93 COc1ccncc1SCC(C)(C)O 62a_100011997281_100000764493 [1,1,0,0,0,0|1,1,0]=4 7466 B14R1.93 COc1cnccc1SCC(C)(C)O 62a_100000764493_100016988167 [1,1,0,0,0,0|1,1,0]=4 7467 B14R1.93 COc1cnccc1SCC(C)(C)O 62a_100016988167_100000764493 [1,1,0,0,0,0|1,1,0]=4 7468 B14R1.93 COc1ncccc1OCC(C)(C)C 34a_100000698397_100011219605 [1,1,0,0,0,0|2,0,0]=4 7469 B14R1.93 COc1ncccc1OCC(C)(C)F 34a_100000698397_100011997219 [1,1,0,0,0,0|2,0,0]=4 7470 B14R1.93 COc1ncccc1OCC(C)(C)O 34a_100000698397_100000764493 [1,1,0,0,0,0|1,0,0]=3 7471 B14R1.93 COc1ncccc1OCC(C)(C)O 7a_100000698397_100000764493 [1,1,0,0,0,0|1,0,0]=3 7472 B14R1.93 COc1ncccc1SCC(C)(C)O 62a_100000047025_100000764493 [1,1,0,0,0,0|1,1,0]=4 7473 B14R1.93 COc1ncccc1SCC(C)(C)O 62a_100000764493_100000047025 [1,1,0,0,0,0|1,1,0]=4 7474 B14R1.93 CSc1ccccc1NCC(C)(C)O 34a_100000211160_100000764493 [1,1,0,0,0,0|1,1,0]=4 7475 B14R1.93 CSc1ccccc1OCC(C)(C)C 34a_100011216402_100011219605 [1,1,0,0,0,0|1,1,0]=4 7476 B14R1.93 CSc1ccccc1OCC(C)(C)F 34a_100011216402_100011997219 [1,1,0,0,0,0|1,1,0]=4 7477 B14R1.93 CSc1ccccc1OCC(C)(C)O 34a_100011216402_100000764493 [1,1,0,0,0,0|0,1,0]=3 7478 B14R1.93 CSc1ccccc1SCC(C)(C)O 62a_100000764493_100011217816 [1,1,0,0,0,0|0,2,0]=4 7479 B14R1.93 CSc1ccccc1SCC(C)(C)O 62a_100011217816_100000764493 [1,1,0,0,0,0|0,2,0]=4 7480 B14R1.93 [13CH3]Oc1ccccc1OCC(F)(F)F 34a_100000750312_200025704644 [1,1,0,0,0,0|2,0,0]=4 7481 B14R1.93 [13CH3]Oc1ccccc1OCC(F)(F)F 7a_100000750312_200025704644 [1,1,0,0,0,0|2,0,0]=4 7482 B14R1.118 C=C(C)COc1cccc(c1OC)Br 34a_100010234590_100000748629 [1,1,0,0,0,0|1,0,1]=4 7483 B14R1.118 C=C(C)COc1cccc(c1OC)Cl 34a_200009886253_100000748629 [1,1,0,0,0,0|1,0,1]=4 7484 B14R1.118 C=C(C)COc1cccc(c1OC)Cl 7a_200009886253_100000748629 [1,1,0,0,0,0|1,0,1]=4 7485 B14R1.118 CC(O)COc1cccc(c1C#N)Br 34a_100012180507_100011218427 [1,1,0,0,0,0|2,0,0]=4 7486 B14R1.118 CC(O)COc1cccc(c1C#N)Br 7a_100012180507_100011218427 [1,1,0,0,0,0|2,0,0]=4 7487 B14R1.118 CC(O)COc1cccc(c1C#N)Cl 34a_100000764475_100011218427 [1,1,0,0,0,0|2,0,0]=4 7488 B14R1.118 CC(O)COc1cccc(c1C#N)Cl 7a_100000764475_100011218427 [1,1,0,0,0,0|2,0,0]=4 7489 B14R1.118 CC(O)COc1cccc(c1C#N)F 34a_100000741147_100011218427 [1,1,0,0,0,0|2,0,0]=4 7490 B14R1.118 CC(O)COc1cccc(c1C#N)F 7a_100000741147_100011218427 [1,1,0,0,0,0|2,0,0]=4 7491 B14R1.118 CNc1c(cccc1SCC(C)O)N 62a_100010510394_100011218427 [1,1,0,0,0,0|1,1,0]=4 7492 B14R1.118 CNc1c(cccc1SC[C@@H](C)O)N 62a_100010510394_100009817552 [1,1,0,0,0,0|1,1,0]=4 7493 B14R1.118 COc1c(cccc1C=CC(C)O)Br 271570a_200011019289_100010146560 [1,1,0,0,0,0|1,0,1]=4 7494 B14R1.118 COc1c(cccc1C=CC(C)O)C 271570a_200011019289_100010141385 [1,1,0,0,0,0|1,0,1]=4 7495 B14R1.118 COc1c(cccc1C=CC(C)O)Cl 271570a_200011019289_100010147678 [1,1,0,0,0,0|1,0,1]=4 7496 B14R1.118 COc1c(cccc1C=CC(C)O)F 271570a_200011019289_100009816759 [1,1,0,0,0,0|1,0,1]=4 7497 B14R1.118 COc1c(cccc1C=CC(C)O)N 271570a_200011019289_100011935253 [1,1,0,0,0,0|1,0,1]=4 7498 B14R1.118 COc1c(cccc1C=CC(C)O)O 271570a_200011019289_100010234590 [1,1,0,0,0,0|1,0,1]=4 7499 B14R1.118 COc1c(cccc1NCC(C)C)Br 34a_100011935253_100000210624 [1,1,0,0,0,0|2,0,0]=4 7500 B14R1.118 COc1c(cccc1NCC(C)C)C 34a_100012017360_100000210624 [1,1,0,0,0,0|2,0,0]=4 7501 B14R1.118 COc1c(cccc1NCC(C)C)Cl 2230a_100000743799_100000210760 [1,1,0,0,0,0|2,0,0]=4 7502 B14R1.118 COc1c(cccc1NCC(C)C)Cl 34a_100000743799_100000210624 [1,1,0,0,0,0|2,0,0]=4 7503 B14R1.118 COc1c(cccc1NCC(C)C)F 34a_100011215007_100000210624 [1,1,0,0,0,0|2,0,0]=4 7504 B14R1.118 COc1c(cccc1NCC(C)O)Br 34a_100011935253_100011218427 [1,1,0,0,0,0|1,0,0]=3 7505 B14R1.118 COc1c(cccc1NCC(C)O)C 34a_100012017360_100011218427 [1,1,0,0,0,0|1,0,0]=3 7506 B14R1.118 COc1c(cccc1NCC(C)O)Cl 2230a_100000743799_100011218427 [1,1,0,0,0,0|1,0,0]=3 7507 B14R1.118 COc1c(cccc1NCC(C)O)Cl 34a_100000743799_100011218427 [1,1,0,0,0,0|1,0,0]=3 7508 B14R1.118 COc1c(cccc1NCC(C)O)F 34a_100011215007_100011218427 [1,1,0,0,0,0|1,0,0]=3 7509 B14R1.118 COc1c(cccc1NC[C@@H](C)O)Br 34a_100011935253_100009817552 [1,1,0,0,0,0|1,0,0]=3 7510 B14R1.118 COc1c(cccc1NC[C@@H](C)O)C 34a_100012017360_100009817552 [1,1,0,0,0,0|1,0,0]=3 7511 B14R1.118 COc1c(cccc1NC[C@@H](C)O)Cl 2230a_100000743799_100009817552 [1,1,0,0,0,0|1,0,0]=3 7512 B14R1.118 COc1c(cccc1NC[C@@H](C)O)Cl 34a_100000743799_100009817552 [1,1,0,0,0,0|1,0,0]=3 7513 B14R1.118 COc1c(cccc1NC[C@@H](C)O)F 34a_100011215007_100009817552 [1,1,0,0,0,0|1,0,0]=3 7514 B14R1.118 COc1c(cccc1OCC(C)C)Br 34a_100010234590_100000210624 [1,1,0,0,0,0|1,0,0]=3 7515 B14R1.118 COc1c(cccc1OCC(C)C)Cl 34a_200009886253_100000210624 [1,1,0,0,0,0|1,0,0]=3 7516 B14R1.118 COc1c(cccc1OCC(C)C)Cl 7a_200009886253_100000210760 [1,1,0,0,0,0|1,0,0]=3 7517 B14R1.118 COc1c(cccc1OCC(C)O)Br 34a_100010234590_100011218427 [1,1,0,0,0,0|0,0,0]=2 7518 B14R1.118 COc1c(cccc1OCC(C)O)Cl 34a_200009886253_100011218427 [1,1,0,0,0,0|0,0,0]=2 7519 B14R1.118 COc1c(cccc1OCC(C)O)Cl 7a_200009886253_100011218427 [1,1,0,0,0,0|0,0,0]=2 7520 B14R1.118 COc1c(cccc1OCC(F)F)Br 34a_100010234590_100011934356 [1,1,0,0,0,0|2,0,0]=4 7521 B14R1.118 COc1c(cccc1OCC(F)F)Cl 34a_200009886253_100011934356 [1,1,0,0,0,0|2,0,0]=4 7522 B14R1.118 COc1c(cccc1OCC(F)F)Cl 7a_200009886253_100011934356 [1,1,0,0,0,0|2,0,0]=4 7523 B14R1.118 COc1c(cccc1OC[C@@H](C)O)Br 34a_100010234590_100009817552 [1,1,0,0,0,0|0,0,0]=2 7524 B14R1.118 COc1c(cccc1OC[C@@H](C)O)Cl 34a_200009886253_100009817552 [1,1,0,0,0,0|0,0,0]=2 7525 B14R1.118 COc1c(cccc1OC[C@@H](C)O)Cl 7a_200009886253_100009817552 [1,1,0,0,0,0|0,0,0]=2 7526 B14R1.118 COc1c(cccc1SCC(C)C)Br 62a_100000210624_100010146560 [1,1,0,0,0,0|1,1,0]=4 7527 B14R1.118 COc1c(cccc1SCC(C)C)Br 62a_100010146560_100000210760 [1,1,0,0,0,0|1,1,0]=4 7528 B14R1.118 COc1c(cccc1SCC(C)C)C 62a_100000210624_100010141385 [1,1,0,0,0,0|1,1,0]=4 7529 B14R1.118 COc1c(cccc1SCC(C)C)C 62a_100010141385_100000210760 [1,1,0,0,0,0|1,1,0]=4 7530 B14R1.118 COc1c(cccc1SCC(C)C)Cl 62a_100000210624_100010147678 [1,1,0,0,0,0|1,1,0]=4 7531 B14R1.118 COc1c(cccc1SCC(C)C)Cl 62a_100010147678_100000210760 [1,1,0,0,0,0|1,1,0]=4 7532 B14R1.118 COc1c(cccc1SCC(C)C)F 62a_100000210624_100009816759 [1,1,0,0,0,0|1,1,0]=4 7533 B14R1.118 COc1c(cccc1SCC(C)C)F 62a_100009816759_100000210760 [1,1,0,0,0,0|1,1,0]=4 7534 B14R1.118 COc1c(cccc1SCC(C)C)N 62a_100011935253_100000210760 [1,1,0,0,0,0|1,1,0]=4 7535 B14R1.118 COc1c(cccc1SCC(C)C)O 62a_100000210624_100010234590 [1,1,0,0,0,0|1,1,0]=4 7536 B14R1.118 COc1c(cccc1SCC(C)O)Br 62a_100010146560_100011218427 [1,1,0,0,0,0|0,1,0]=3 7537 B14R1.118 COc1c(cccc1SCC(C)O)Br 62a_100011218427_100010146560 [1,1,0,0,0,0|0,1,0]=3 7538 B14R1.118 COc1c(cccc1SCC(C)O)C 62a_100010141385_100011218427 [1,1,0,0,0,0|0,1,0]=3 7539 B14R1.118 COc1c(cccc1SCC(C)O)C 62a_100011218427_100010141385 [1,1,0,0,0,0|0,1,0]=3 7540 B14R1.118 COc1c(cccc1SCC(C)O)Cl 62a_100010147678_100011218427 [1,1,0,0,0,0|0,1,0]=3 7541 B14R1.118 COc1c(cccc1SCC(C)O)Cl 62a_100011218427_100010147678 [1,1,0,0,0,0|0,1,0]=3 7542 B14R1.118 COc1c(cccc1SCC(C)O)F 62a_100009816759_100011218427 [1,1,0,0,0,0|0,1,0]=3 7543 B14R1.118 COc1c(cccc1SCC(C)O)F 62a_100011218427_100009816759 [1,1,0,0,0,0|0,1,0]=3 7544 B14R1.118 COc1c(cccc1SCC(C)O)N 62a_100011935253_100011218427 [1,1,0,0,0,0|0,1,0]=3 7545 B14R1.118 COc1c(cccc1SCC(C)O)O 62a_100011218427_100010234590 [1,1,0,0,0,0|0,1,0]=3 7546 B14R1.118 COc1c(cccc1SC[C@@H](C)O)Br 62a_100009817552_100010146560 [1,1,0,0,0,0|0,1,0]=3 7547 B14R1.118 COc1c(cccc1SC[C@@H](C)O)Br 62a_100010146560_100009817552 [1,1,0,0,0,0|0,1,0]=3 7548 B14R1.118 COc1c(cccc1SC[C@@H](C)O)C 62a_100009817552_100010141385 [1,1,0,0,0,0|0,1,0]=3 7549 B14R1.118 COc1c(cccc1SC[C@@H](C)O)C 62a_100010141385_100009817552 [1,1,0,0,0,0|0,1,0]=3 7550 B14R1.118 COc1c(cccc1SC[C@@H](C)O)Cl 62a_100009817552_100010147678 [1,1,0,0,0,0|0,1,0]=3 7551 B14R1.118 COc1c(cccc1SC[C@@H](C)O)Cl 62a_100010147678_100009817552 [1,1,0,0,0,0|0,1,0]=3 7552 B14R1.118 COc1c(cccc1SC[C@@H](C)O)F 62a_100009816759_100009817552 [1,1,0,0,0,0|0,1,0]=3 7553 B14R1.118 COc1c(cccc1SC[C@@H](C)O)F 62a_100009817552_100009816759 [1,1,0,0,0,0|0,1,0]=3 7554 B14R1.118 COc1c(cccc1SC[C@@H](C)O)N 62a_100011935253_100009817552 [1,1,0,0,0,0|0,1,0]=3 7555 B14R1.118 COc1c(cccc1SC[C@@H](C)O)O 62a_100009817552_100010234590 [1,1,0,0,0,0|0,1,0]=3 7556 B14R1.118 COc1c(ccnc1C)SCC(C)O 62a_100000685116_100011218427 [1,1,0,0,0,0|1,1,0]=4 7557 B14R1.118 COc1c(ccnc1C)SCC(C)O 62a_100011218427_100000685116 [1,1,0,0,0,0|1,1,0]=4 7558 B14R1.118 COc1c(ccnc1C)SC[C@@H](C)O 62a_100000685116_100009817552 [1,1,0,0,0,0|1,1,0]=4 7559 B14R1.118 COc1c(ccnc1C)SC[C@@H](C)O 62a_100009817552_100000685116 [1,1,0,0,0,0|1,1,0]=4 7560 B14R1.118 COc1c(ccnc1Cl)OCC(C)C 34a_100000104430_100000210624 [1,1,0,0,0,0|2,0,0]=4 7561 B14R1.118 COc1c(ccnc1Cl)OCC(C)O 34a_100000104430_100011218427 [1,1,0,0,0,0|1,0,0]=3 7562 B14R1.118 COc1c(ccnc1Cl)OC[C@@H](C)O 34a_100000104430_100009817552 [1,1,0,0,0,0|1,0,0]=3 7563 B14R1.118 COc1c(ccnc1Cl)SCC(C)O 62a_100010068014_100011218427 [1,1,0,0,0,0|1,1,0]=4 7564 B14R1.118 COc1c(ccnc1Cl)SCC(C)O 62a_100011218427_100010068014 [1,1,0,0,0,0|1,1,0]=4 7565 B14R1.118 COc1c(ccnc1Cl)SC[C@@H](C)O 62a_100009817552_100010068014 [1,1,0,0,0,0|1,1,0]=4 7566 B14R1.118 COc1c(ccnc1Cl)SC[C@@H](C)O 62a_100010068014_100009817552 [1,1,0,0,0,0|1,1,0]=4 7567 B14R1.118 COc1c(ccnc1N)SCC(C)O 62a_100009880012_100011218427 [1,1,0,0,0,0|1,1,0]=4 7568 B14R1.118 COc1c(ccnc1N)SCC(C)O 62a_100011218427_100009880012 [1,1,0,0,0,0|1,1,0]=4 7569 B14R1.118 COc1c(ccnc1N)SC[C@@H](C)O 62a_100009817552_100009880012 [1,1,0,0,0,0|1,1,0]=4 7570 B14R1.118 COc1c(ccnc1N)SC[C@@H](C)O 62a_100009880012_100009817552 [1,1,0,0,0,0|1,1,0]=4 7571 B14R1.118 COc1c(ccnc1SCC(C)O)N 62a_100000104429_100011218427 [1,1,0,0,0,0|1,1,0]=4 7572 B14R1.118 COc1c(ccnc1SCC(C)O)N 62a_100011218427_100000104429 [1,1,0,0,0,0|1,1,0]=4 7573 B14R1.118 COc1c(ccnc1SCC(C)O)O 62a_100011218427_100000104430 [1,1,0,0,0,0|1,1,0]=4 7574 B14R1.118 COc1c(ccnc1SC[C@@H](C)O)N 62a_100000104429_100009817552 [1,1,0,0,0,0|1,1,0]=4 7575 B14R1.118 COc1c(ccnc1SC[C@@H](C)O)N 62a_100009817552_100000104429 [1,1,0,0,0,0|1,1,0]=4 7576 B14R1.118 COc1c(ccnc1SC[C@@H](C)O)O 62a_100009817552_100000104430 [1,1,0,0,0,0|1,1,0]=4 7577 B14R1.118 COc1c(cncc1SCC(C)O)N 62a_100011218427_100012359933 [1,1,0,0,0,0|1,1,0]=4 7578 B14R1.118 COc1c(cncc1SCC(C)O)N 62a_100012359933_100011218427 [1,1,0,0,0,0|1,1,0]=4 7579 B14R1.118 COc1c(cncc1SC[C@@H](C)O)N 62a_100009817552_100012359933 [1,1,0,0,0,0|1,1,0]=4 7580 B14R1.118 COc1c(cncc1SC[C@@H](C)O)N 62a_100012359933_100009817552 [1,1,0,0,0,0|1,1,0]=4 7581 B14R1.118 CSc1c(cccc1OCC(C)C)C 34a_200000099257_100000210624 [1,1,0,0,0,0|1,1,0]=4 7582 B14R1.118 CSc1c(cccc1OCC(C)C)C 7a_200000099257_100000210760 [1,1,0,0,0,0|1,1,0]=4 7583 B14R1.118 CSc1c(cccc1OCC(C)O)C 34a_200000099257_100011218427 [1,1,0,0,0,0|0,1,0]=3 7584 B14R1.118 CSc1c(cccc1OCC(C)O)C 7a_200000099257_100011218427 [1,1,0,0,0,0|0,1,0]=3 7585 B14R1.118 CSc1c(cccc1OC[C@@H](C)O)C 34a_200000099257_100009817552 [1,1,0,0,0,0|0,1,0]=3 7586 B14R1.118 CSc1c(cccc1OC[C@@H](C)O)C 7a_200000099257_100009817552 [1,1,0,0,0,0|0,1,0]=3 7587 B14R1.118 CSc1c(cccc1SCC(C)O)F 62a_100011218427_200010709249 [1,1,0,0,0,0|0,2,0]=4 7588 B14R1.118 CSc1c(cccc1SCC(C)O)F 62a_200010709249_100011218427 [1,1,0,0,0,0|0,2,0]=4 7589 B14R1.118 CSc1c(cccc1SC[C@@H](C)O)F 62a_100009817552_200010709249 [1,1,0,0,0,0|0,2,0]=4 7590 B14R1.118 CSc1c(cccc1SC[C@@H](C)O)F 62a_200010709249_100009817552 [1,1,0,0,0,0|0,2,0]=4 7591 B14R1.118 C[C@@H](O)COc1cccc(c1C#N)Br 34a_100012180507_100009817552 [1,1,0,0,0,0|2,0,0]=4 7592 B14R1.118 C[C@@H](O)COc1cccc(c1C#N)Br 7a_100012180507_100009817552 [1,1,0,0,0,0|2,0,0]=4 7593 B14R1.118 C[C@@H](O)COc1cccc(c1C#N)Cl 34a_100000764475_100009817552 [1,1,0,0,0,0|2,0,0]=4 7594 B14R1.118 C[C@@H](O)COc1cccc(c1C#N)Cl 7a_100000764475_100009817552 [1,1,0,0,0,0|2,0,0]=4 7595 B14R1.118 C[C@@H](O)COc1cccc(c1C#N)F 34a_100000741147_100009817552 [1,1,0,0,0,0|2,0,0]=4 7596 B14R1.118 C[C@@H](O)COc1cccc(c1C#N)F 7a_100000741147_100009817552 [1,1,0,0,0,0|2,0,0]=4 7597 B14R1.118 Cc1cccc(c1C#N)OCC(C)O 34a_100000079363_100011218427 [1,1,0,0,0,0|2,0,0]=4 7598 B14R1.118 Cc1cccc(c1C#N)OCC(C)O 7a_100000079363_100011218427 [1,1,0,0,0,0|2,0,0]=4 7599 B14R1.118 Cc1cccc(c1C#N)OC[C@@H](C)O 34a_100000079363_100009817552 [1,1,0,0,0,0|2,0,0]=4 7600 B14R1.118 Cc1cccc(c1C#N)OC[C@@H](C)O 7a_100000079363_100009817552 [1,1,0,0,0,0|2,0,0]=4 7601 B14R1.118 Cc1cccc(c1CO)OCC(C)O 34a_200009874777_100011218427 [1,1,0,0,0,0|2,0,0]=4 7602 B14R1.118 Cc1cccc(c1CO)OCC(C)O 7a_200009874777_100011218427 [1,1,0,0,0,0|2,0,0]=4 7603 B14R1.118 Cc1cccc(c1CO)OC[C@@H](C)O 34a_200009874777_100009817552 [1,1,0,0,0,0|2,0,0]=4 7604 B14R1.118 Cc1cccc(c1CO)OC[C@@H](C)O 7a_200009874777_100009817552 [1,1,0,0,0,0|2,0,0]=4 7605 B14R1.482 C/C=C/c1ccccc1OCC(C)C 34a_200000189419_100000210624 [1,1,0,0,0,0|2,0,0]=4 7606 B14R1.482 C/C=C/c1ccccc1OCC(C)C 7a_200000189419_100000210760 [1,1,0,0,0,0|2,0,0]=4 7607 B14R1.482 C/C=C/c1ccccc1OCC(C)O 34a_200000189419_100011218427 [1,1,0,0,0,0|1,0,0]=3 7608 B14R1.482 C/C=C/c1ccccc1OCC(C)O 7a_200000189419_100011218427 [1,1,0,0,0,0|1,0,0]=3 7609 B14R1.482 C/C=C/c1ccccc1OC[C@@H](C)O 34a_200000189419_100009817552 [1,1,0,0,0,0|1,0,0]=3 7610 B14R1.482 C/C=C/c1ccccc1OC[C@@H](C)O 7a_200000189419_100009817552 [1,1,0,0,0,0|1,0,0]=3 7611 B14R1.482 C=C(C)COc1ccccc1COC 34a_100011488565_100000748629 [1,1,0,0,0,0|1,0,1]=4 7612 B14R1.482 C=C(C)COc1ccccc1COC 7a_100011232748_200000210301 [1,1,0,0,0,0|1,0,1]=4 7613 B14R1.482 C=C(C)COc1ccccc1COC 7a_100011488565_100000748629 [1,1,0,0,0,0|1,0,1]=4 7614 B14R1.482 C=C(C)COc1ccccc1CO[13CH3] 7a_100011232748_200025704644 [1,1,0,0,0,0|1,0,1]=4 7615 B14R1.482 C=C(C)COc1ccccc1OCC 34a_100000211404_100000748629 [1,1,0,0,0,0|1,0,1]=4 7616 B14R1.482 C=C(C)COc1ccccc1OCC 7a_100000211404_100000748629 [1,1,0,0,0,0|1,0,1]=4 7617 B14R1.482 C=CCc1ccccc1OCC(C)O 34a_100000211836_100011218427 [1,1,0,0,0,0|1,0,1]=4 7618 B14R1.482 C=CCc1ccccc1OCC(C)O 7a_100000211836_100011218427 [1,1,0,0,0,0|1,0,1]=4 7619 B14R1.482 C=CCc1ccccc1OC[C@@H](C)O 34a_100000211836_100009817552 [1,1,0,0,0,0|1,0,1]=4 7620 B14R1.482 C=CCc1ccccc1OC[C@@H](C)O 7a_100000211836_100009817552 [1,1,0,0,0,0|1,0,1]=4 7621 B14R1.482 CC(C)COc1ccccc1CCBr 34a_100000722297_100000210624 [1,1,0,0,0,0|2,0,0]=4 7622 B14R1.482 CC(C)COc1ccccc1CCBr 7a_100000722297_100000210760 [1,1,0,0,0,0|2,0,0]=4 7623 B14R1.482 CC(C)COc1ccccc1CCN 34a_100011207237_100000210624 [1,1,0,0,0,0|2,0,0]=4 7624 B14R1.482 CC(C)COc1ccccc1CCO 34a_100000719421_100000210624 [1,1,0,0,0,0|2,0,0]=4 7625 B14R1.482 CC(C)COc1ccccc1CCO 7a_100000719421_100000210760 [1,1,0,0,0,0|2,0,0]=4 7626 B14R1.482 CC(C)COc1ccccc1CN[13CH3] 34a_100000185557_200025704644 [1,1,0,0,0,0|2,0,0]=4 7627 B14R1.482 CC(C)COc1ccccc1NCF 34a_100000742603_100015361967 [1,1,0,0,0,0|2,0,0]=4 7628 B14R1.482 CC(O)CNc1ccccc1CCO 2230a_100011215289_100011218427 [1,1,0,0,0,0|2,0,0]=4 7629 B14R1.482 CC(O)CNc1ccccc1CCO 34a_100011215289_100011218427 [1,1,0,0,0,0|2,0,0]=4 7630 B14R1.482 CC(O)COc1ccccc1CC#N 34a_100000043107_100011218427 [1,1,0,0,0,0|1,0,1]=4 7631 B14R1.482 CC(O)COc1ccccc1CC#N 7a_100000043107_100011218427 [1,1,0,0,0,0|1,0,1]=4 7632 B14R1.482 CC(O)COc1ccccc1CCBr 34a_100000722297_100011218427 [1,1,0,0,0,0|1,0,0]=3 7633 B14R1.482 CC(O)COc1ccccc1CCBr 7a_100000722297_100011218427 [1,1,0,0,0,0|1,0,0]=3 7634 B14R1.482 CC(O)COc1ccccc1CCN 34a_100011207237_100011218427 [1,1,0,0,0,0|1,0,0]=3 7635 B14R1.482 CC(O)COc1ccccc1CCO 34a_100000719421_100011218427 [1,1,0,0,0,0|1,0,0]=3 7636 B14R1.482 CC(O)COc1ccccc1CCO 7a_100000719421_100011218427 [1,1,0,0,0,0|1,0,0]=3 7637 B14R1.482 CC(O)CSc1ccccc1CCN 62a_100000747383_100011218427 [1,1,0,0,0,0|1,1,0]=4 7638 B14R1.482 CC(O)CSc1ccccc1CCN 62a_100011218427_100000747383 [1,1,0,0,0,0|1,1,0]=4 7639 B14R1.482 CC(O)CSc1ccccc1CCO 62a_100000731337_100011218427 [1,1,0,0,0,0|1,1,0]=4 7640 B14R1.482 CC(O)CSc1ccccc1CCO 62a_100011218427_100000731337 [1,1,0,0,0,0|1,1,0]=4 7641 B14R1.482 CCCc1ccccc1NCC(C)O 2230a_100000737634_100011218427 [1,1,0,0,0,0|2,0,0]=4 7642 B14R1.482 CCCc1ccccc1NCC(C)O 34a_100000737634_100011218427 [1,1,0,0,0,0|2,0,0]=4 7643 B14R1.482 CCCc1ccccc1NCC(C)O 7a_100000737634_100011218427 [1,1,0,0,0,0|2,0,0]=4 7644 B14R1.482 CCCc1ccccc1NC[C@@H](C)O 2230a_100000737634_100009817552 [1,1,0,0,0,0|2,0,0]=4 7645 B14R1.482 CCCc1ccccc1NC[C@@H](C)O 34a_100000737634_100009817552 [1,1,0,0,0,0|2,0,0]=4 7646 B14R1.482 CCCc1ccccc1NC[C@@H](C)O 7a_100000737634_100009817552 [1,1,0,0,0,0|2,0,0]=4 7647 B14R1.482 CCCc1ccccc1OCC(C)C 34a_100011217252_100000210624 [1,1,0,0,0,0|2,0,0]=4 7648 B14R1.482 CCCc1ccccc1OCC(C)C 7a_100011217252_100000210760 [1,1,0,0,0,0|2,0,0]=4 7649 B14R1.482 CCCc1ccccc1OCC(C)O 34a_100011217252_100011218427 [1,1,0,0,0,0|1,0,0]=3 7650 B14R1.482 CCCc1ccccc1OCC(C)O 7a_100011217252_100011218427 [1,1,0,0,0,0|1,0,0]=3 7651 B14R1.482 CCCc1ccccc1OC[C@@H](C)O 34a_100011217252_100009817552 [1,1,0,0,0,0|1,0,0]=3 7652 B14R1.482 CCCc1ccccc1OC[C@@H](C)O 7a_100011217252_100009817552 [1,1,0,0,0,0|1,0,0]=3 7653 B14R1.482 CCNc1ccccc1OCC(C)C 34a_100000742603_100000210202 [1,1,0,0,0,0|2,0,0]=4 7654 B14R1.482 CCNc1ccccc1OCC(C)C 34a_103624766699_100000210624 [1,1,0,0,0,0|2,0,0]=4 7655 B14R1.482 CCNc1ccccc1OCC(C)C 7a_103624766699_100000210760 [1,1,0,0,0,0|2,0,0]=4 7656 B14R1.482 CCNc1ccccc1OCC(C)O 34a_103624766699_100011218427 [1,1,0,0,0,0|1,0,0]=3 7657 B14R1.482 CCNc1ccccc1OCC(C)O 7a_103624766699_100011218427 [1,1,0,0,0,0|1,0,0]=3 7658 B14R1.482 CCNc1ccccc1OC[C@@H](C)O 34a_103624766699_100009817552 [1,1,0,0,0,0|1,0,0]=3 7659 B14R1.482 CCNc1ccccc1OC[C@@H](C)O 7a_103624766699_100009817552 [1,1,0,0,0,0|1,0,0]=3 7660 B14R1.482 CCNc1ccccc1SCC(C)O 62a_100011218427_114873767003 [1,1,0,0,0,0|1,1,0]=4 7661 B14R1.482 CCNc1ccccc1SCC(C)O 62a_114873767003_100011218427 [1,1,0,0,0,0|1,1,0]=4 7662 B14R1.482 CCNc1ccccc1SC[C@@H](C)O 62a_100009817552_114873767003 [1,1,0,0,0,0|1,1,0]=4 7663 B14R1.482 CCNc1ccccc1SC[C@@H](C)O 62a_114873767003_100009817552 [1,1,0,0,0,0|1,1,0]=4 7664 B14R1.482 CCOc1ccccc1C=CC(C)O 271570a_200011019289_100000230754 [1,1,0,0,0,0|1,0,1]=4 7665 B14R1.482 CCOc1ccccc1NCC(C)C 34a_100000211218_100000210624 [1,1,0,0,0,0|2,0,0]=4 7666 B14R1.482 CCOc1ccccc1NCC(C)O 34a_100000211218_100011218427 [1,1,0,0,0,0|1,0,0]=3 7667 B14R1.482 CCOc1ccccc1NC[C@@H](C)O 34a_100000211218_100009817552 [1,1,0,0,0,0|1,0,0]=3 7668 B14R1.482 CCOc1ccccc1OCC(=O)C 1458a_100000182497_200000210301 [1,1,0,0,0,0|0,0,2]=4 7669 B14R1.482 CCOc1ccccc1OCC(=O)[13CH3] 1458a_100000182497_200025704644 [1,1,0,0,0,0|0,0,2]=4 7670 B14R1.482 CCOc1ccccc1OCC(C)C 34a_100000211404_100000210624 [1,1,0,0,0,0|1,0,0]=3 7671 B14R1.482 CCOc1ccccc1OCC(C)C 7a_100000211404_100000210760 [1,1,0,0,0,0|1,0,0]=3 7672 B14R1.482 CCOc1ccccc1OCC(C)O 34a_100000211404_100011218427 [1,1,0,0,0,0|0,0,0]=2 7673 B14R1.482 CCOc1ccccc1OCC(C)O 7a_100000211404_100011218427 [1,1,0,0,0,0|0,0,0]=2 7674 B14R1.482 CCOc1ccccc1OCC(F)F 34a_100000211404_100011934356 [1,1,0,0,0,0|2,0,0]=4 7675 B14R1.482 CCOc1ccccc1OCC(F)F 7a_100000211404_100011934356 [1,1,0,0,0,0|2,0,0]=4 7676 B14R1.482 CCOc1ccccc1OC[C@@H](C)O 34a_100000211404_100009817552 [1,1,0,0,0,0|0,0,0]=2 7677 B14R1.482 CCOc1ccccc1OC[C@@H](C)O 7a_100000211404_100009817552 [1,1,0,0,0,0|0,0,0]=2 7678 B14R1.482 CCOc1ccccc1SCC(C)C 62a_100000210624_100000230754 [1,1,0,0,0,0|1,1,0]=4 7679 B14R1.482 CCOc1ccccc1SCC(C)C 62a_100000230754_100000210760 [1,1,0,0,0,0|1,1,0]=4 7680 B14R1.482 CCOc1ccccc1SCC(C)O 62a_100000230754_100011218427 [1,1,0,0,0,0|0,1,0]=3 7681 B14R1.482 CCOc1ccccc1SCC(C)O 62a_100011218427_100000230754 [1,1,0,0,0,0|0,1,0]=3 7682 B14R1.482 CCOc1ccccc1SC[C@@H](C)O 62a_100000230754_100009817552 [1,1,0,0,0,0|0,1,0]=3 7683 B14R1.482 CCOc1ccccc1SC[C@@H](C)O 62a_100009817552_100000230754 [1,1,0,0,0,0|0,1,0]=3 7684 B14R1.482 CCOc1cccnc1SCC(C)O 62a_100011218427_100011597540 [1,1,0,0,0,0|1,1,0]=4 7685 B14R1.482 CCOc1cccnc1SCC(C)O 62a_100011597540_100011218427 [1,1,0,0,0,0|1,1,0]=4 7686 B14R1.482 CCOc1cccnc1SC[C@@H](C)O 62a_100009817552_100011597540 [1,1,0,0,0,0|1,1,0]=4 7687 B14R1.482 CCOc1cccnc1SC[C@@H](C)O 62a_100011597540_100009817552 [1,1,0,0,0,0|1,1,0]=4 7688 B14R1.482 CCOc1ncccc1OCC(C)C 34a_100011998697_100000210624 [1,1,0,0,0,0|2,0,0]=4 7689 B14R1.482 CCOc1ncccc1OCC(C)O 34a_100011998697_100011218427 [1,1,0,0,0,0|1,0,0]=3 7690 B14R1.482 CCOc1ncccc1OC[C@@H](C)O 34a_100011998697_100009817552 [1,1,0,0,0,0|1,0,0]=3 7691 B14R1.482 CCOc1ncccc1SCC(C)O 62a_100011218427_100011465154 [1,1,0,0,0,0|1,1,0]=4 7692 B14R1.482 CCOc1ncccc1SCC(C)O 62a_100011465154_100011218427 [1,1,0,0,0,0|1,1,0]=4 7693 B14R1.482 CCOc1ncccc1SC[C@@H](C)O 62a_100009817552_100011465154 [1,1,0,0,0,0|1,1,0]=4 7694 B14R1.482 CCOc1ncccc1SC[C@@H](C)O 62a_100011465154_100009817552 [1,1,0,0,0,0|1,1,0]=4 7695 B14R1.482 CCSc1ccccc1NCC(C)O 34a_100011223125_100011218427 [1,1,0,0,0,0|1,1,0]=4 7696 B14R1.482 CCSc1ccccc1NC[C@@H](C)O 34a_100011223125_100009817552 [1,1,0,0,0,0|1,1,0]=4 7697 B14R1.482 CCSc1ccccc1SCC(C)O 62a_100000230856_100011218427 [1,1,0,0,0,0|0,2,0]=4 7698 B14R1.482 CCSc1ccccc1SCC(C)O 62a_100011218427_100000230856 [1,1,0,0,0,0|0,2,0]=4 7699 B14R1.482 CCSc1ccccc1SC[C@@H](C)O 62a_100000230856_100009817552 [1,1,0,0,0,0|0,2,0]=4 7700 B14R1.482 CCSc1ccccc1SC[C@@H](C)O 62a_100009817552_100000230856 [1,1,0,0,0,0|0,2,0]=4 7701 B14R1.482 CNCc1ccccc1OCC(C)C 207a_100102657272_100000169846 [1,1,0,0,0,0|2,0,0]=4 7702 B14R1.482 CNCc1ccccc1OCC(C)C 270004a_106832991635_100000169846 [1,1,0,0,0,0|2,0,0]=4 7703 B14R1.482 CNCc1ccccc1OCC(C)C 34a_100000185557_200000210301 [1,1,0,0,0,0|2,0,0]=4 7704 B14R1.482 CNCc1ccccc1OCC(C)C 34a_100015189988_100000210624 [1,1,0,0,0,0|2,0,0]=4 7705 B14R1.482 CNCc1ccccc1OCC(C)O 34a_100015189988_100011218427 [1,1,0,0,0,0|1,0,0]=3 7706 B14R1.482 CNCc1ccccc1OC[C@@H](C)O 34a_100015189988_100009817552 [1,1,0,0,0,0|1,0,0]=3 7707 B14R1.482 CNCc1ccccc1SCC(C)O 62a_100000184654_100011218427 [1,1,0,0,0,0|1,1,0]=4 7708 B14R1.482 CNCc1ccccc1SCC(C)O 62a_100011218427_100000184654 [1,1,0,0,0,0|1,1,0]=4 7709 B14R1.482 CNCc1ccccc1SC[C@@H](C)O 62a_100000184654_100009817552 [1,1,0,0,0,0|1,1,0]=4 7710 B14R1.482 CNCc1ccccc1SC[C@@H](C)O 62a_100009817552_100000184654 [1,1,0,0,0,0|1,1,0]=4 7711 B14R1.482 COCc1ccccc1C=CC(C)O 271570a_200011019289_100011493684 [1,1,0,0,0,0|1,0,1]=4 7712 B14R1.482 COCc1ccccc1OCC(C)C 34a_100011488565_100000210624 [1,1,0,0,0,0|1,0,0]=3 7713 B14R1.482 COCc1ccccc1OCC(C)C 7a_100011488565_100000210760 [1,1,0,0,0,0|1,0,0]=3 7714 B14R1.482 COCc1ccccc1OCC(C)O 34a_100011488565_100011218427 [1,1,0,0,0,0|0,0,0]=2 7715 B14R1.482 COCc1ccccc1OCC(C)O 7a_100011488565_100011218427 [1,1,0,0,0,0|0,0,0]=2 7716 B14R1.482 COCc1ccccc1OCC(F)F 34a_100011488565_100011934356 [1,1,0,0,0,0|2,0,0]=4 7717 B14R1.482 COCc1ccccc1OCC(F)F 7a_100011488565_100011934356 [1,1,0,0,0,0|2,0,0]=4 7718 B14R1.482 COCc1ccccc1OC[C@@H](C)O 34a_100011488565_100009817552 [1,1,0,0,0,0|0,0,0]=2 7719 B14R1.482 COCc1ccccc1OC[C@@H](C)O 7a_100011488565_100009817552 [1,1,0,0,0,0|0,0,0]=2 7720 B14R1.482 COCc1ccccc1SCC(C)C 62a_100000210624_100011493684 [1,1,0,0,0,0|1,1,0]=4 7721 B14R1.482 COCc1ccccc1SCC(C)C 62a_100011493684_100000210760 [1,1,0,0,0,0|1,1,0]=4 7722 B14R1.482 COCc1ccccc1SCC(C)O 62a_100011218427_100011493684 [1,1,0,0,0,0|0,1,0]=3 7723 B14R1.482 COCc1ccccc1SCC(C)O 62a_100011493684_100011218427 [1,1,0,0,0,0|0,1,0]=3 7724 B14R1.482 COCc1ccccc1SC[C@@H](C)O 62a_100009817552_100011493684 [1,1,0,0,0,0|0,1,0]=3 7725 B14R1.482 COCc1ccccc1SC[C@@H](C)O 62a_100011493684_100009817552 [1,1,0,0,0,0|0,1,0]=3 7726 B14R1.482 CSCc1ccccc1SCC(C)O 62a_100000148299_100011218427 [1,1,0,0,0,0|0,2,0]=4 7727 B14R1.482 CSCc1ccccc1SCC(C)O 62a_100011218427_100000148299 [1,1,0,0,0,0|0,2,0]=4 7728 B14R1.482 CSCc1ccccc1SC[C@@H](C)O 62a_100000148299_100009817552 [1,1,0,0,0,0|0,2,0]=4 7729 B14R1.482 CSCc1ccccc1SC[C@@H](C)O 62a_100009817552_100000148299 [1,1,0,0,0,0|0,2,0]=4 7730 B14R1.482 C[C@@H](O)CNc1ccccc1CCO 2230a_100011215289_100009817552 [1,1,0,0,0,0|2,0,0]=4 7731 B14R1.482 C[C@@H](O)CNc1ccccc1CCO 34a_100011215289_100009817552 [1,1,0,0,0,0|2,0,0]=4 7732 B14R1.482 C[C@@H](O)COc1ccccc1CC#N 34a_100000043107_100009817552 [1,1,0,0,0,0|1,0,1]=4 7733 B14R1.482 C[C@@H](O)COc1ccccc1CC#N 7a_100000043107_100009817552 [1,1,0,0,0,0|1,0,1]=4 7734 B14R1.482 C[C@@H](O)COc1ccccc1CCBr 34a_100000722297_100009817552 [1,1,0,0,0,0|1,0,0]=3 7735 B14R1.482 C[C@@H](O)COc1ccccc1CCBr 7a_100000722297_100009817552 [1,1,0,0,0,0|1,0,0]=3 7736 B14R1.482 C[C@@H](O)COc1ccccc1CCN 34a_100011207237_100009817552 [1,1,0,0,0,0|1,0,0]=3 7737 B14R1.482 C[C@@H](O)COc1ccccc1CCO 34a_100000719421_100009817552 [1,1,0,0,0,0|1,0,0]=3 7738 B14R1.482 C[C@@H](O)COc1ccccc1CCO 7a_100000719421_100009817552 [1,1,0,0,0,0|1,0,0]=3 7739 B14R1.482 C[C@@H](O)CSc1ccccc1CCN 62a_100000747383_100009817552 [1,1,0,0,0,0|1,1,0]=4 7740 B14R1.482 C[C@@H](O)CSc1ccccc1CCN 62a_100009817552_100000747383 [1,1,0,0,0,0|1,1,0]=4 7741 B14R1.482 C[C@@H](O)CSc1ccccc1CCO 62a_100000731337_100009817552 [1,1,0,0,0,0|1,1,0]=4 7742 B14R1.482 C[C@@H](O)CSc1ccccc1CCO 62a_100009817552_100000731337 [1,1,0,0,0,0|1,1,0]=4 7743 B14R1.840 CCc1ccccc1C(=O)CC(C)O 1458a_100000689120_100011218427 [1,1,0,0,0,0|2,0,0]=4 7744 B14R1.840 COc1ccccc1C(=O)CC(C)C 1458a_100000185835_100000210624 [1,1,0,0,0,0|2,0,0]=4 7745 B14R1.840 COc1ccccc1C(=O)CC(C)O 1458a_100000185835_100011218427 [1,1,0,0,0,0|1,0,0]=3 7746 B14R1.840 COc1ccccc1N(C)CC(C)C 2230a_100000219746_100000210760 [1,1,0,0,0,0|2,0,0]=4 7747 B14R1.840 COc1ccccc1N(C)CC(C)C 269982a_100000219746_100000210624 [1,1,0,0,0,0|2,0,0]=4 7748 B14R1.840 COc1ccccc1N(C)CC(C)C 34a_100000219746_100000210624 [1,1,0,0,0,0|2,0,0]=4 7749 B14R1.840 COc1ccccc1N(C)CC(C)O 2230a_100000219746_100011218427 [1,1,0,0,0,0|1,0,0]=3 7750 B14R1.840 COc1ccccc1N(C)CC(C)O 269982a_100000219746_100011218427 [1,1,0,0,0,0|1,0,0]=3 7751 B14R1.840 COc1ccccc1N(C)CC(C)O 34a_100000219746_100011218427 [1,1,0,0,0,0|1,0,0]=3 7752 B14R1.840 COc1ccccc1N(C)C[C@@H](C)O 2230a_100000219746_100009817552 [1,1,0,0,0,0|1,0,0]=3 7753 B14R1.840 COc1ccccc1N(C)C[C@@H](C)O 269982a_100000219746_100009817552 [1,1,0,0,0,0|1,0,0]=3 7754 B14R1.840 COc1ccccc1N(C)C[C@@H](C)O 34a_100000219746_100009817552 [1,1,0,0,0,0|1,0,0]=3 7755 B14R1.840 COc1ccccc1[C@@H](N)CC(C)C 271570a_100015190218_100000174000 [1,1,0,0,0,0|2,0,0]=4 7756 B14R1.840 CSc1ccccc1C(=O)CC(C)O 1458a_100000183967_100011218427 [1,1,0,0,0,0|1,1,0]=4 7757 B14R1.1600 C=C(C)COc1ccc(cc1OC)Br 34a_100000694246_100000748629 [1,1,0,0,0,0|1,0,1]=4 7758 B14R1.1600 C=C(C)COc1ccc(cc1OC)Br 7a_100000694246_100000748629 [1,1,0,0,0,0|1,0,1]=4 7759 B14R1.1600 C=C(C)COc1ccc(cc1OC)C 34a_100000186466_100000748629 [1,1,0,0,0,0|1,0,1]=4 7760 B14R1.1600 C=C(C)COc1ccc(cc1OC)Cl 34a_100000033002_100000748629 [1,1,0,0,0,0|1,0,1]=4 7761 B14R1.1600 C=C(C)COc1ccc(cc1OC)F 34a_100000036057_100000748629 [1,1,0,0,0,0|1,0,1]=4 7762 B14R1.1600 C=C(C)COc1ccc(cc1OC)F 7a_100000036057_100000748629 [1,1,0,0,0,0|1,0,1]=4 7763 B14R1.1600 C=C(C)COc1ccc(cc1OC)I 34a_100000049635_100000748629 [1,1,0,0,0,0|1,0,1]=4 7764 B14R1.1600 C=C(C)COc1ccc(cc1OC)N 34a_100000726020_100000748629 [1,1,0,0,0,0|1,0,1]=4 7765 B14R1.1600 CC(O)COc1ccc(cc1C#N)Br 34a_100000687585_100011218427 [1,1,0,0,0,0|2,0,0]=4 7766 B14R1.1600 CC(O)COc1ccc(cc1C#N)Br 7a_100000687585_100011218427 [1,1,0,0,0,0|2,0,0]=4 7767 B14R1.1600 CC(O)COc1ccc(cc1C#N)Cl 34a_100011219380_100011218427 [1,1,0,0,0,0|2,0,0]=4 7768 B14R1.1600 CC(O)COc1ccc(cc1C#N)Cl 7a_100011219380_100011218427 [1,1,0,0,0,0|2,0,0]=4 7769 B14R1.1600 CC(O)COc1ccc(cc1C#N)F 34a_100011900173_100011218427 [1,1,0,0,0,0|2,0,0]=4 7770 B14R1.1600 CC(O)COc1ccc(cc1C#N)F 7a_100011900173_100011218427 [1,1,0,0,0,0|2,0,0]=4 7771 B14R1.1600 CC(O)COc1ccc(cc1C#N)I 34a_200000049958_100011218427 [1,1,0,0,0,0|2,0,0]=4 7772 B14R1.1600 CC(O)COc1ccc(cc1C#N)I 7a_200000049958_100011218427 [1,1,0,0,0,0|2,0,0]=4 7773 B14R1.1600 CC(O)COc1ccc(cc1C#N)N 34a_100011249283_100011218427 [1,1,0,0,0,0|2,0,0]=4 7774 B14R1.1600 CC(O)COc1ccc(cc1C#N)N 7a_100011249283_100011218427 [1,1,0,0,0,0|2,0,0]=4 7775 B14R1.1600 CC(O)COc1ccc(cc1CBr)F 34a_100010161318_100011218427 [1,1,0,0,0,0|2,0,0]=4 7776 B14R1.1600 CC(O)COc1ccc(cc1CBr)F 7a_100010161318_100011218427 [1,1,0,0,0,0|2,0,0]=4 7777 B14R1.1600 CC(O)COc1ccc(cc1CN)Br 34a_100000730032_100011218427 [1,1,0,0,0,0|2,0,0]=4 7778 B14R1.1600 CC(O)COc1ccc(cc1CN)Cl 34a_100000238540_100011218427 [1,1,0,0,0,0|2,0,0]=4 7779 B14R1.1600 CC(O)COc1ccc(cc1CO)Br 34a_100000184703_100011218427 [1,1,0,0,0,0|2,0,0]=4 7780 B14R1.1600 CC(O)COc1ccc(cc1CO)Br 7a_100000184703_100011218427 [1,1,0,0,0,0|2,0,0]=4 7781 B14R1.1600 CC(O)COc1ccc(cc1CO)Cl 34a_100011218961_100011218427 [1,1,0,0,0,0|2,0,0]=4 7782 B14R1.1600 CC(O)COc1ccc(cc1CO)Cl 7a_100011218961_100011218427 [1,1,0,0,0,0|2,0,0]=4 7783 B14R1.1600 CC(O)COc1ccc(cc1CO)F 34a_100011291448_100011218427 [1,1,0,0,0,0|2,0,0]=4 7784 B14R1.1600 CC(O)COc1ccc(cc1CO)F 7a_100011291448_100011218427 [1,1,0,0,0,0|2,0,0]=4 7785 B14R1.1600 CC(O)COc1ccc(cc1CO)I 34a_100000049520_100011218427 [1,1,0,0,0,0|2,0,0]=4 7786 B14R1.1600 CC(O)COc1ccc(cc1CO)I 7a_100000049520_100011218427 [1,1,0,0,0,0|2,0,0]=4 7787 B14R1.1600 CCc1cc(ccc1NCC(C)O)Br 2230a_100000686106_100011218427 [1,1,0,0,0,0|2,0,0]=4 7788 B14R1.1600 CCc1cc(ccc1NCC(C)O)Br 34a_100000686106_100011218427 [1,1,0,0,0,0|2,0,0]=4 7789 B14R1.1600 CCc1cc(ccc1NCC(C)O)Br 7a_100000686106_100011218427 [1,1,0,0,0,0|2,0,0]=4 7790 B14R1.1600 CCc1cc(ccc1NCC(C)O)Cl 2230a_100012017146_100011218427 [1,1,0,0,0,0|2,0,0]=4 7791 B14R1.1600 CCc1cc(ccc1NCC(C)O)Cl 34a_100012017146_100011218427 [1,1,0,0,0,0|2,0,0]=4 7792 B14R1.1600 CCc1cc(ccc1NCC(C)O)Cl 7a_100012017146_100011218427 [1,1,0,0,0,0|2,0,0]=4 7793 B14R1.1600 CCc1cc(ccc1NCC(C)O)I 2230a_100000014069_100011218427 [1,1,0,0,0,0|2,0,0]=4 7794 B14R1.1600 CCc1cc(ccc1NCC(C)O)I 34a_100000014069_100011218427 [1,1,0,0,0,0|2,0,0]=4 7795 B14R1.1600 CCc1cc(ccc1NCC(C)O)I 7a_100000014069_100011218427 [1,1,0,0,0,0|2,0,0]=4 7796 B14R1.1600 CCc1cc(ccc1NC[C@@H](C)O)Br 2230a_100000686106_100009817552 [1,1,0,0,0,0|2,0,0]=4 7797 B14R1.1600 CCc1cc(ccc1NC[C@@H](C)O)Br 34a_100000686106_100009817552 [1,1,0,0,0,0|2,0,0]=4 7798 B14R1.1600 CCc1cc(ccc1NC[C@@H](C)O)Br 7a_100000686106_100009817552 [1,1,0,0,0,0|2,0,0]=4 7799 B14R1.1600 CCc1cc(ccc1NC[C@@H](C)O)Cl 2230a_100012017146_100009817552 [1,1,0,0,0,0|2,0,0]=4 7800 B14R1.1600 CCc1cc(ccc1NC[C@@H](C)O)Cl 34a_100012017146_100009817552 [1,1,0,0,0,0|2,0,0]=4 7801 B14R1.1600 CCc1cc(ccc1NC[C@@H](C)O)Cl 7a_100012017146_100009817552 [1,1,0,0,0,0|2,0,0]=4 7802 B14R1.1600 CCc1cc(ccc1NC[C@@H](C)O)I 2230a_100000014069_100009817552 [1,1,0,0,0,0|2,0,0]=4 7803 B14R1.1600 CCc1cc(ccc1NC[C@@H](C)O)I 34a_100000014069_100009817552 [1,1,0,0,0,0|2,0,0]=4 7804 B14R1.1600 CCc1cc(ccc1NC[C@@H](C)O)I 7a_100000014069_100009817552 [1,1,0,0,0,0|2,0,0]=4 7805 B14R1.1600 CCc1cc(ccc1OCC(C)C)Br 34a_100012338938_100000210624 [1,1,0,0,0,0|2,0,0]=4 7806 B14R1.1600 CCc1cc(ccc1OCC(C)C)Br 7a_100012338938_100000210760 [1,1,0,0,0,0|2,0,0]=4 7807 B14R1.1600 CCc1cc(ccc1OCC(C)C)C 34a_100009844793_100000210624 [1,1,0,0,0,0|2,0,0]=4 7808 B14R1.1600 CCc1cc(ccc1OCC(C)C)C 7a_100009844793_100000210760 [1,1,0,0,0,0|2,0,0]=4 7809 B14R1.1600 CCc1cc(ccc1OCC(C)C)F 34a_200000035566_100000210624 [1,1,0,0,0,0|2,0,0]=4 7810 B14R1.1600 CCc1cc(ccc1OCC(C)C)F 7a_200000035566_100000210760 [1,1,0,0,0,0|2,0,0]=4 7811 B14R1.1600 CCc1cc(ccc1OCC(C)O)Br 34a_100012338938_100011218427 [1,1,0,0,0,0|1,0,0]=3 7812 B14R1.1600 CCc1cc(ccc1OCC(C)O)Br 7a_100012338938_100011218427 [1,1,0,0,0,0|1,0,0]=3 7813 B14R1.1600 CCc1cc(ccc1OCC(C)O)C 34a_100009844793_100011218427 [1,1,0,0,0,0|1,0,0]=3 7814 B14R1.1600 CCc1cc(ccc1OCC(C)O)C 7a_100009844793_100011218427 [1,1,0,0,0,0|1,0,0]=3 7815 B14R1.1600 CCc1cc(ccc1OCC(C)O)F 34a_200000035566_100011218427 [1,1,0,0,0,0|1,0,0]=3 7816 B14R1.1600 CCc1cc(ccc1OCC(C)O)F 7a_200000035566_100011218427 [1,1,0,0,0,0|1,0,0]=3 7817 B14R1.1600 CCc1cc(ccc1OC[C@@H](C)O)Br 34a_100012338938_100009817552 [1,1,0,0,0,0|1,0,0]=3 7818 B14R1.1600 CCc1cc(ccc1OC[C@@H](C)O)Br 7a_100012338938_100009817552 [1,1,0,0,0,0|1,0,0]=3 7819 B14R1.1600 CCc1cc(ccc1OC[C@@H](C)O)C 34a_100009844793_100009817552 [1,1,0,0,0,0|1,0,0]=3 7820 B14R1.1600 CCc1cc(ccc1OC[C@@H](C)O)C 7a_100009844793_100009817552 [1,1,0,0,0,0|1,0,0]=3 7821 B14R1.1600 CCc1cc(ccc1OC[C@@H](C)O)F 34a_200000035566_100009817552 [1,1,0,0,0,0|1,0,0]=3 7822 B14R1.1600 CCc1cc(ccc1OC[C@@H](C)O)F 7a_200000035566_100009817552 [1,1,0,0,0,0|1,0,0]=3 7823 B14R1.1600 CCc1cc(ccc1SCC(C)O)Br 62a_100011216195_100011218427 [1,1,0,0,0,0|1,1,0]=4 7824 B14R1.1600 CCc1cc(ccc1SCC(C)O)Br 62a_100011218427_100011216195 [1,1,0,0,0,0|1,1,0]=4 7825 B14R1.1600 CCc1cc(ccc1SCC(C)O)N 62a_100010109747_100011218427 [1,1,0,0,0,0|1,1,0]=4 7826 B14R1.1600 CCc1cc(ccc1SCC(C)O)N 62a_100011218427_100010109747 [1,1,0,0,0,0|1,1,0]=4 7827 B14R1.1600 CCc1cc(ccc1SC[C@@H](C)O)Br 62a_100009817552_100011216195 [1,1,0,0,0,0|1,1,0]=4 7828 B14R1.1600 CCc1cc(ccc1SC[C@@H](C)O)Br 62a_100011216195_100009817552 [1,1,0,0,0,0|1,1,0]=4 7829 B14R1.1600 CCc1cc(ccc1SC[C@@H](C)O)N 62a_100009817552_100010109747 [1,1,0,0,0,0|1,1,0]=4 7830 B14R1.1600 CCc1cc(ccc1SC[C@@H](C)O)N 62a_100010109747_100009817552 [1,1,0,0,0,0|1,1,0]=4 7831 B14R1.1600 CCc1nc(ccc1OCC(C)O)C 34a_100000718140_100011218427 [1,1,0,0,0,0|2,0,0]=4 7832 B14R1.1600 CCc1nc(ccc1OCC(C)O)C 7a_100000718140_100011218427 [1,1,0,0,0,0|2,0,0]=4 7833 B14R1.1600 CCc1nc(ccc1OC[C@@H](C)O)C 34a_100000718140_100009817552 [1,1,0,0,0,0|2,0,0]=4 7834 B14R1.1600 CCc1nc(ccc1OC[C@@H](C)O)C 7a_100000718140_100009817552 [1,1,0,0,0,0|2,0,0]=4 7835 B14R1.1600 CNc1cc(ccc1SCC(C)O)F 62a_100011218427_100020633008 [1,1,0,0,0,0|1,1,0]=4 7836 B14R1.1600 CNc1cc(ccc1SCC(C)O)F 62a_100020633008_100011218427 [1,1,0,0,0,0|1,1,0]=4 7837 B14R1.1600 CNc1cc(ccc1SC[C@@H](C)O)F 62a_100009817552_100020633008 [1,1,0,0,0,0|1,1,0]=4 7838 B14R1.1600 CNc1cc(ccc1SC[C@@H](C)O)F 62a_100020633008_100009817552 [1,1,0,0,0,0|1,1,0]=4 7839 B14R1.1600 COc1cc(ccc1C=CC(C)O)Br 271570a_200011019289_100010245111 [1,1,0,0,0,0|1,0,1]=4 7840 B14R1.1600 COc1cc(ccc1C=CC(C)O)C 271570a_200011019289_100010200004 [1,1,0,0,0,0|1,0,1]=4 7841 B14R1.1600 COc1cc(ccc1C=CC(C)O)Cl 271570a_200011019289_100000050115 [1,1,0,0,0,0|1,0,1]=4 7842 B14R1.1600 COc1cc(ccc1C=CC(C)O)F 271570a_200011019289_100000757151 [1,1,0,0,0,0|1,0,1]=4 7843 B14R1.1600 COc1cc(ccc1C=CC(C)O)N 271570a_200011019289_100000765947 [1,1,0,0,0,0|1,0,1]=4 7844 B14R1.1600 COc1cc(ccc1C=CC(C)O)O 271570a_200011019289_100011827694 [1,1,0,0,0,0|1,0,1]=4 7845 B14R1.1600 COc1cc(ccc1NCC(C)C)Br 34a_100011279103_100000210624 [1,1,0,0,0,0|2,0,0]=4 7846 B14R1.1600 COc1cc(ccc1NCC(C)C)C 2230a_100000746441_100000210760 [1,1,0,0,0,0|2,0,0]=4 7847 B14R1.1600 COc1cc(ccc1NCC(C)C)C 34a_100000746441_100000210624 [1,1,0,0,0,0|2,0,0]=4 7848 B14R1.1600 COc1cc(ccc1NCC(C)C)Cl 34a_100000707585_100000210624 [1,1,0,0,0,0|2,0,0]=4 7849 B14R1.1600 COc1cc(ccc1NCC(C)C)F 34a_100000737216_100000210624 [1,1,0,0,0,0|2,0,0]=4 7850 B14R1.1600 COc1cc(ccc1NCC(C)C)I 34a_100015196925_100000210624 [1,1,0,0,0,0|2,0,0]=4 7851 B14R1.1600 COc1cc(ccc1NCC(C)C)O 34a_100015326901_100000210624 [1,1,0,0,0,0|2,0,0]=4 7852 B14R1.1600 COc1cc(ccc1NCC(C)O)Br 34a_100011279103_100011218427 [1,1,0,0,0,0|1,0,0]=3 7853 B14R1.1600 COc1cc(ccc1NCC(C)O)C 2230a_100000746441_100011218427 [1,1,0,0,0,0|1,0,0]=3 7854 B14R1.1600 COc1cc(ccc1NCC(C)O)C 34a_100000746441_100011218427 [1,1,0,0,0,0|1,0,0]=3 7855 B14R1.1600 COc1cc(ccc1NCC(C)O)Cl 34a_100000707585_100011218427 [1,1,0,0,0,0|1,0,0]=3 7856 B14R1.1600 COc1cc(ccc1NCC(C)O)F 34a_100000737216_100011218427 [1,1,0,0,0,0|1,0,0]=3 7857 B14R1.1600 COc1cc(ccc1NCC(C)O)I 34a_100015196925_100011218427 [1,1,0,0,0,0|1,0,0]=3 7858 B14R1.1600 COc1cc(ccc1NCC(C)O)O 34a_100015326901_100011218427 [1,1,0,0,0,0|1,0,0]=3 7859 B14R1.1600 COc1cc(ccc1NC[C@@H](C)O)Br 34a_100011279103_100009817552 [1,1,0,0,0,0|1,0,0]=3 7860 B14R1.1600 COc1cc(ccc1NC[C@@H](C)O)C 2230a_100000746441_100009817552 [1,1,0,0,0,0|1,0,0]=3 7861 B14R1.1600 COc1cc(ccc1NC[C@@H](C)O)C 34a_100000746441_100009817552 [1,1,0,0,0,0|1,0,0]=3 7862 B14R1.1600 COc1cc(ccc1NC[C@@H](C)O)Cl 34a_100000707585_100009817552 [1,1,0,0,0,0|1,0,0]=3 7863 B14R1.1600 COc1cc(ccc1NC[C@@H](C)O)F 34a_100000737216_100009817552 [1,1,0,0,0,0|1,0,0]=3 7864 B14R1.1600 COc1cc(ccc1NC[C@@H](C)O)I 34a_100015196925_100009817552 [1,1,0,0,0,0|1,0,0]=3 7865 B14R1.1600 COc1cc(ccc1NC[C@@H](C)O)O 34a_100015326901_100009817552 [1,1,0,0,0,0|1,0,0]=3 7866 B14R1.1600 COc1cc(ccc1OCC(=O)C)C 1458a_100000183895_200000210301 [1,1,0,0,0,0|0,0,2]=4 7867 B14R1.1600 COc1cc(ccc1OCC(=O)[13CH3])C 1458a_100000183895_200025704644 [1,1,0,0,0,0|0,0,2]=4 7868 B14R1.1600 COc1cc(ccc1OCC(C)C)Br 34a_100000694246_100000210624 [1,1,0,0,0,0|1,0,0]=3 7869 B14R1.1600 COc1cc(ccc1OCC(C)C)Br 7a_100000694246_100000210760 [1,1,0,0,0,0|1,0,0]=3 7870 B14R1.1600 COc1cc(ccc1OCC(C)C)C 34a_100000186466_100000210624 [1,1,0,0,0,0|1,0,0]=3 7871 B14R1.1600 COc1cc(ccc1OCC(C)C)Cl 34a_100000033002_100000210624 [1,1,0,0,0,0|1,0,0]=3 7872 B14R1.1600 COc1cc(ccc1OCC(C)C)F 34a_100000036057_100000210624 [1,1,0,0,0,0|1,0,0]=3 7873 B14R1.1600 COc1cc(ccc1OCC(C)C)F 7a_100000036057_100000210760 [1,1,0,0,0,0|1,0,0]=3 7874 B14R1.1600 COc1cc(ccc1OCC(C)C)I 34a_100000049635_100000210624 [1,1,0,0,0,0|1,0,0]=3 7875 B14R1.1600 COc1cc(ccc1OCC(C)C)N 34a_100000726020_100000210624 [1,1,0,0,0,0|1,0,0]=3 7876 B14R1.1600 COc1cc(ccc1OCC(C)O)Br 34a_100000694246_100011218427 [1,1,0,0,0,0|0,0,0]=2 7877 B14R1.1600 COc1cc(ccc1OCC(C)O)Br 7a_100000694246_100011218427 [1,1,0,0,0,0|0,0,0]=2 7878 B14R1.1600 COc1cc(ccc1OCC(C)O)C 34a_100000186466_100011218427 [1,1,0,0,0,0|0,0,0]=2 7879 B14R1.1600 COc1cc(ccc1OCC(C)O)Cl 34a_100000033002_100011218427 [1,1,0,0,0,0|0,0,0]=2 7880 B14R1.1600 COc1cc(ccc1OCC(C)O)F 34a_100000036057_100011218427 [1,1,0,0,0,0|0,0,0]=2 7881 B14R1.1600 COc1cc(ccc1OCC(C)O)F 7a_100000036057_100011218427 [1,1,0,0,0,0|0,0,0]=2 7882 B14R1.1600 COc1cc(ccc1OCC(C)O)I 34a_100000049635_100011218427 [1,1,0,0,0,0|0,0,0]=2 7883 B14R1.1600 COc1cc(ccc1OCC(C)O)N 34a_100000726020_100011218427 [1,1,0,0,0,0|0,0,0]=2 7884 B14R1.1600 COc1cc(ccc1OCC(F)F)Br 34a_100000694246_100011934356 [1,1,0,0,0,0|2,0,0]=4 7885 B14R1.1600 COc1cc(ccc1OCC(F)F)Br 7a_100000694246_100011934356 [1,1,0,0,0,0|2,0,0]=4 7886 B14R1.1600 COc1cc(ccc1OCC(F)F)C 34a_100000186466_100011934356 [1,1,0,0,0,0|2,0,0]=4 7887 B14R1.1600 COc1cc(ccc1OCC(F)F)Cl 34a_100000033002_100011934356 [1,1,0,0,0,0|2,0,0]=4 7888 B14R1.1600 COc1cc(ccc1OCC(F)F)F 34a_100000036057_100011934356 [1,1,0,0,0,0|2,0,0]=4 7889 B14R1.1600 COc1cc(ccc1OCC(F)F)F 7a_100000036057_100011934356 [1,1,0,0,0,0|2,0,0]=4 7890 B14R1.1600 COc1cc(ccc1OCC(F)F)I 34a_100000049635_100011934356 [1,1,0,0,0,0|2,0,0]=4 7891 B14R1.1600 COc1cc(ccc1OCC(F)F)N 34a_100000726020_100011934356 [1,1,0,0,0,0|2,0,0]=4 7892 B14R1.1600 COc1cc(ccc1OC[C@@H](C)O)Br 34a_100000694246_100009817552 [1,1,0,0,0,0|0,0,0]=2 7893 B14R1.1600 COc1cc(ccc1OC[C@@H](C)O)Br 7a_100000694246_100009817552 [1,1,0,0,0,0|0,0,0]=2 7894 B14R1.1600 COc1cc(ccc1OC[C@@H](C)O)C 34a_100000186466_100009817552 [1,1,0,0,0,0|0,0,0]=2 7895 B14R1.1600 COc1cc(ccc1OC[C@@H](C)O)Cl 34a_100000033002_100009817552 [1,1,0,0,0,0|0,0,0]=2 7896 B14R1.1600 COc1cc(ccc1OC[C@@H](C)O)F 34a_100000036057_100009817552 [1,1,0,0,0,0|0,0,0]=2 7897 B14R1.1600 COc1cc(ccc1OC[C@@H](C)O)F 7a_100000036057_100009817552 [1,1,0,0,0,0|0,0,0]=2 7898 B14R1.1600 COc1cc(ccc1OC[C@@H](C)O)I 34a_100000049635_100009817552 [1,1,0,0,0,0|0,0,0]=2 7899 B14R1.1600 COc1cc(ccc1OC[C@@H](C)O)N 34a_100000726020_100009817552 [1,1,0,0,0,0|0,0,0]=2 7900 B14R1.1600 COc1cc(ccc1SCC(C)C)Br 62a_100000210624_100010245111 [1,1,0,0,0,0|1,1,0]=4 7901 B14R1.1600 COc1cc(ccc1SCC(C)C)Br 62a_100010245111_100000210760 [1,1,0,0,0,0|1,1,0]=4 7902 B14R1.1600 COc1cc(ccc1SCC(C)C)C 62a_100000210624_100010200004 [1,1,0,0,0,0|1,1,0]=4 7903 B14R1.1600 COc1cc(ccc1SCC(C)C)C 62a_100010200004_100000210760 [1,1,0,0,0,0|1,1,0]=4 7904 B14R1.1600 COc1cc(ccc1SCC(C)C)Cl 62a_100000050115_100000210760 [1,1,0,0,0,0|1,1,0]=4 7905 B14R1.1600 COc1cc(ccc1SCC(C)C)Cl 62a_100000210624_100000050115 [1,1,0,0,0,0|1,1,0]=4 7906 B14R1.1600 COc1cc(ccc1SCC(C)C)F 62a_100000210624_100000757151 [1,1,0,0,0,0|1,1,0]=4 7907 B14R1.1600 COc1cc(ccc1SCC(C)C)F 62a_100000757151_100000210760 [1,1,0,0,0,0|1,1,0]=4 7908 B14R1.1600 COc1cc(ccc1SCC(C)C)N 62a_100000210624_100000765947 [1,1,0,0,0,0|1,1,0]=4 7909 B14R1.1600 COc1cc(ccc1SCC(C)C)N 62a_100000765947_100000210760 [1,1,0,0,0,0|1,1,0]=4 7910 B14R1.1600 COc1cc(ccc1SCC(C)C)O 62a_100000210624_100011827694 [1,1,0,0,0,0|1,1,0]=4 7911 B14R1.1600 COc1cc(ccc1SCC(C)O)Br 62a_100010245111_100011218427 [1,1,0,0,0,0|0,1,0]=3 7912 B14R1.1600 COc1cc(ccc1SCC(C)O)Br 62a_100011218427_100010245111 [1,1,0,0,0,0|0,1,0]=3 7913 B14R1.1600 COc1cc(ccc1SCC(C)O)C 62a_100010200004_100011218427 [1,1,0,0,0,0|0,1,0]=3 7914 B14R1.1600 COc1cc(ccc1SCC(C)O)C 62a_100011218427_100010200004 [1,1,0,0,0,0|0,1,0]=3 7915 B14R1.1600 COc1cc(ccc1SCC(C)O)Cl 62a_100000050115_100011218427 [1,1,0,0,0,0|0,1,0]=3 7916 B14R1.1600 COc1cc(ccc1SCC(C)O)Cl 62a_100011218427_100000050115 [1,1,0,0,0,0|0,1,0]=3 7917 B14R1.1600 COc1cc(ccc1SCC(C)O)F 62a_100000757151_100011218427 [1,1,0,0,0,0|0,1,0]=3 7918 B14R1.1600 COc1cc(ccc1SCC(C)O)F 62a_100011218427_100000757151 [1,1,0,0,0,0|0,1,0]=3 7919 B14R1.1600 COc1cc(ccc1SCC(C)O)N 62a_100000765947_100011218427 [1,1,0,0,0,0|0,1,0]=3 7920 B14R1.1600 COc1cc(ccc1SCC(C)O)N 62a_100011218427_100000765947 [1,1,0,0,0,0|0,1,0]=3 7921 B14R1.1600 COc1cc(ccc1SCC(C)O)O 62a_100011218427_100011827694 [1,1,0,0,0,0|0,1,0]=3 7922 B14R1.1600 COc1cc(ccc1SC[C@@H](C)O)Br 62a_100009817552_100010245111 [1,1,0,0,0,0|0,1,0]=3 7923 B14R1.1600 COc1cc(ccc1SC[C@@H](C)O)Br 62a_100010245111_100009817552 [1,1,0,0,0,0|0,1,0]=3 7924 B14R1.1600 COc1cc(ccc1SC[C@@H](C)O)C 62a_100009817552_100010200004 [1,1,0,0,0,0|0,1,0]=3 7925 B14R1.1600 COc1cc(ccc1SC[C@@H](C)O)C 62a_100010200004_100009817552 [1,1,0,0,0,0|0,1,0]=3 7926 B14R1.1600 COc1cc(ccc1SC[C@@H](C)O)Cl 62a_100000050115_100009817552 [1,1,0,0,0,0|0,1,0]=3 7927 B14R1.1600 COc1cc(ccc1SC[C@@H](C)O)Cl 62a_100009817552_100000050115 [1,1,0,0,0,0|0,1,0]=3 7928 B14R1.1600 COc1cc(ccc1SC[C@@H](C)O)F 62a_100000757151_100009817552 [1,1,0,0,0,0|0,1,0]=3 7929 B14R1.1600 COc1cc(ccc1SC[C@@H](C)O)F 62a_100009817552_100000757151 [1,1,0,0,0,0|0,1,0]=3 7930 B14R1.1600 COc1cc(ccc1SC[C@@H](C)O)N 62a_100000765947_100009817552 [1,1,0,0,0,0|0,1,0]=3 7931 B14R1.1600 COc1cc(ccc1SC[C@@H](C)O)N 62a_100009817552_100000765947 [1,1,0,0,0,0|0,1,0]=3 7932 B14R1.1600 COc1cc(ccc1SC[C@@H](C)O)O 62a_100009817552_100011827694 [1,1,0,0,0,0|0,1,0]=3 7933 B14R1.1600 COc1cc(cnc1OCC(C)C)Cl 34a_200009845368_100000210624 [1,1,0,0,0,0|2,0,0]=4 7934 B14R1.1600 COc1cc(cnc1OCC(C)O)Cl 34a_200009845368_100011218427 [1,1,0,0,0,0|1,0,0]=3 7935 B14R1.1600 COc1cc(cnc1OC[C@@H](C)O)Cl 34a_200009845368_100009817552 [1,1,0,0,0,0|1,0,0]=3 7936 B14R1.1600 COc1cc(cnc1SCC(C)O)C 62a_100011218427_200000118316 [1,1,0,0,0,0|1,1,0]=4 7937 B14R1.1600 COc1cc(cnc1SCC(C)O)F 62a_100010136273_100011218427 [1,1,0,0,0,0|1,1,0]=4 7938 B14R1.1600 COc1cc(cnc1SCC(C)O)F 62a_100011218427_100009867738 [1,1,0,0,0,0|1,1,0]=4 7939 B14R1.1600 COc1cc(cnc1SCC(C)O)N 62a_100011218427_100000097218 [1,1,0,0,0,0|1,1,0]=4 7940 B14R1.1600 COc1cc(cnc1SCC(C)O)N 62a_200010291755_100011218427 [1,1,0,0,0,0|1,1,0]=4 7941 B14R1.1600 COc1cc(cnc1SC[C@@H](C)O)C 62a_100009817552_200000118316 [1,1,0,0,0,0|1,1,0]=4 7942 B14R1.1600 COc1cc(cnc1SC[C@@H](C)O)F 62a_100009817552_100009867738 [1,1,0,0,0,0|1,1,0]=4 7943 B14R1.1600 COc1cc(cnc1SC[C@@H](C)O)F 62a_100010136273_100009817552 [1,1,0,0,0,0|1,1,0]=4 7944 B14R1.1600 COc1cc(cnc1SC[C@@H](C)O)N 62a_100009817552_100000097218 [1,1,0,0,0,0|1,1,0]=4 7945 B14R1.1600 COc1cc(cnc1SC[C@@H](C)O)N 62a_200010291755_100009817552 [1,1,0,0,0,0|1,1,0]=4 7946 B14R1.1600 COc1cc(ncc1SCC(C)O)C 62a_100000717771_100011218427 [1,1,0,0,0,0|1,1,0]=4 7947 B14R1.1600 COc1cc(ncc1SCC(C)O)C 62a_100011218427_100000717771 [1,1,0,0,0,0|1,1,0]=4 7948 B14R1.1600 COc1cc(ncc1SCC(C)O)Cl 62a_100010154656_100011218427 [1,1,0,0,0,0|1,1,0]=4 7949 B14R1.1600 COc1cc(ncc1SCC(C)O)Cl 62a_100011218427_100010154656 [1,1,0,0,0,0|1,1,0]=4 7950 B14R1.1600 COc1cc(ncc1SCC(C)O)F 62a_100010135560_100011218427 [1,1,0,0,0,0|1,1,0]=4 7951 B14R1.1600 COc1cc(ncc1SCC(C)O)F 62a_100011218427_100010135560 [1,1,0,0,0,0|1,1,0]=4 7952 B14R1.1600 COc1cc(ncc1SCC(C)O)N 62a_100011218427_100015506990 [1,1,0,0,0,0|1,1,0]=4 7953 B14R1.1600 COc1cc(ncc1SCC(C)O)N 62a_100015506990_100011218427 [1,1,0,0,0,0|1,1,0]=4 7954 B14R1.1600 COc1cc(ncc1SC[C@@H](C)O)C 62a_100000717771_100009817552 [1,1,0,0,0,0|1,1,0]=4 7955 B14R1.1600 COc1cc(ncc1SC[C@@H](C)O)C 62a_100009817552_100000717771 [1,1,0,0,0,0|1,1,0]=4 7956 B14R1.1600 COc1cc(ncc1SC[C@@H](C)O)Cl 62a_100009817552_100010154656 [1,1,0,0,0,0|1,1,0]=4 7957 B14R1.1600 COc1cc(ncc1SC[C@@H](C)O)Cl 62a_100010154656_100009817552 [1,1,0,0,0,0|1,1,0]=4 7958 B14R1.1600 COc1cc(ncc1SC[C@@H](C)O)F 62a_100009817552_100010135560 [1,1,0,0,0,0|1,1,0]=4 7959 B14R1.1600 COc1cc(ncc1SC[C@@H](C)O)F 62a_100010135560_100009817552 [1,1,0,0,0,0|1,1,0]=4 7960 B14R1.1600 COc1cc(ncc1SC[C@@H](C)O)N 62a_100009817552_100015506990 [1,1,0,0,0,0|1,1,0]=4 7961 B14R1.1600 COc1cc(ncc1SC[C@@H](C)O)N 62a_100015506990_100009817552 [1,1,0,0,0,0|1,1,0]=4 7962 B14R1.1600 COc1nc(ccc1OCC(C)C)Br 34a_100010893133_100000210624 [1,1,0,0,0,0|2,0,0]=4 7963 B14R1.1600 COc1nc(ccc1OCC(C)O)Br 34a_100010893133_100011218427 [1,1,0,0,0,0|1,0,0]=3 7964 B14R1.1600 COc1nc(ccc1OC[C@@H](C)O)Br 34a_100010893133_100009817552 [1,1,0,0,0,0|1,0,0]=3 7965 B14R1.1600 COc1nc(ccc1SCC(C)O)C 62a_100010138632_100011218427 [1,1,0,0,0,0|1,1,0]=4 7966 B14R1.1600 COc1nc(ccc1SCC(C)O)C 62a_100011218427_100010138632 [1,1,0,0,0,0|1,1,0]=4 7967 B14R1.1600 COc1nc(ccc1SCC(C)O)N 62a_100010187630_100011218427 [1,1,0,0,0,0|1,1,0]=4 7968 B14R1.1600 COc1nc(ccc1SCC(C)O)N 62a_100011218427_100010187630 [1,1,0,0,0,0|1,1,0]=4 7969 B14R1.1600 COc1nc(ccc1SC[C@@H](C)O)C 62a_100009817552_100010138632 [1,1,0,0,0,0|1,1,0]=4 7970 B14R1.1600 COc1nc(ccc1SC[C@@H](C)O)C 62a_100010138632_100009817552 [1,1,0,0,0,0|1,1,0]=4 7971 B14R1.1600 COc1nc(ccc1SC[C@@H](C)O)N 62a_100009817552_100010187630 [1,1,0,0,0,0|1,1,0]=4 7972 B14R1.1600 COc1nc(ccc1SC[C@@H](C)O)N 62a_100010187630_100009817552 [1,1,0,0,0,0|1,1,0]=4 7973 B14R1.1600 CSc1cc(ccc1SCC(C)O)C 62a_100011218427_200010709736 [1,1,0,0,0,0|0,2,0]=4 7974 B14R1.1600 CSc1cc(ccc1SCC(C)O)C 62a_200010709736_100011218427 [1,1,0,0,0,0|0,2,0]=4 7975 B14R1.1600 CSc1cc(ccc1SC[C@@H](C)O)C 62a_100009817552_200010709736 [1,1,0,0,0,0|0,2,0]=4 7976 B14R1.1600 CSc1cc(ccc1SC[C@@H](C)O)C 62a_200010709736_100009817552 [1,1,0,0,0,0|0,2,0]=4 7977 B14R1.1600 C[C@@H](O)COc1ccc(cc1C#N)Br 34a_100000687585_100009817552 [1,1,0,0,0,0|2,0,0]=4 7978 B14R1.1600 C[C@@H](O)COc1ccc(cc1C#N)Br 7a_100000687585_100009817552 [1,1,0,0,0,0|2,0,0]=4 7979 B14R1.1600 C[C@@H](O)COc1ccc(cc1C#N)Cl 34a_100011219380_100009817552 [1,1,0,0,0,0|2,0,0]=4 7980 B14R1.1600 C[C@@H](O)COc1ccc(cc1C#N)Cl 7a_100011219380_100009817552 [1,1,0,0,0,0|2,0,0]=4 7981 B14R1.1600 C[C@@H](O)COc1ccc(cc1C#N)F 34a_100011900173_100009817552 [1,1,0,0,0,0|2,0,0]=4 7982 B14R1.1600 C[C@@H](O)COc1ccc(cc1C#N)F 7a_100011900173_100009817552 [1,1,0,0,0,0|2,0,0]=4 7983 B14R1.1600 C[C@@H](O)COc1ccc(cc1C#N)I 34a_200000049958_100009817552 [1,1,0,0,0,0|2,0,0]=4 7984 B14R1.1600 C[C@@H](O)COc1ccc(cc1C#N)I 7a_200000049958_100009817552 [1,1,0,0,0,0|2,0,0]=4 7985 B14R1.1600 C[C@@H](O)COc1ccc(cc1C#N)N 34a_100011249283_100009817552 [1,1,0,0,0,0|2,0,0]=4 7986 B14R1.1600 C[C@@H](O)COc1ccc(cc1C#N)N 7a_100011249283_100009817552 [1,1,0,0,0,0|2,0,0]=4 7987 B14R1.1600 C[C@@H](O)COc1ccc(cc1CBr)F 34a_100010161318_100009817552 [1,1,0,0,0,0|2,0,0]=4 7988 B14R1.1600 C[C@@H](O)COc1ccc(cc1CBr)F 7a_100010161318_100009817552 [1,1,0,0,0,0|2,0,0]=4 7989 B14R1.1600 C[C@@H](O)COc1ccc(cc1CN)Br 34a_100000730032_100009817552 [1,1,0,0,0,0|2,0,0]=4 7990 B14R1.1600 C[C@@H](O)COc1ccc(cc1CN)Cl 34a_100000238540_100009817552 [1,1,0,0,0,0|2,0,0]=4 7991 B14R1.1600 C[C@@H](O)COc1ccc(cc1CO)Br 34a_100000184703_100009817552 [1,1,0,0,0,0|2,0,0]=4 7992 B14R1.1600 C[C@@H](O)COc1ccc(cc1CO)Br 7a_100000184703_100009817552 [1,1,0,0,0,0|2,0,0]=4 7993 B14R1.1600 C[C@@H](O)COc1ccc(cc1CO)Cl 34a_100011218961_100009817552 [1,1,0,0,0,0|2,0,0]=4 7994 B14R1.1600 C[C@@H](O)COc1ccc(cc1CO)Cl 7a_100011218961_100009817552 [1,1,0,0,0,0|2,0,0]=4 7995 B14R1.1600 C[C@@H](O)COc1ccc(cc1CO)F 34a_100011291448_100009817552 [1,1,0,0,0,0|2,0,0]=4 7996 B14R1.1600 C[C@@H](O)COc1ccc(cc1CO)F 7a_100011291448_100009817552 [1,1,0,0,0,0|2,0,0]=4 7997 B14R1.1600 C[C@@H](O)COc1ccc(cc1CO)I 34a_100000049520_100009817552 [1,1,0,0,0,0|2,0,0]=4 7998 B14R1.1600 C[C@@H](O)COc1ccc(cc1CO)I 7a_100000049520_100009817552 [1,1,0,0,0,0|2,0,0]=4 7999 B14R1.1600 Cc1ccc(c(c1)C#N)OCC(C)O 34a_200012180384_100011218427 [1,1,0,0,0,0|2,0,0]=4 8000 B14R1.1600 Cc1ccc(c(c1)C#N)OCC(C)O 7a_200012180384_100011218427 [1,1,0,0,0,0|2,0,0]=4 8001 B14R1.1600 Cc1ccc(c(c1)C#N)OC[C@@H](C)O 34a_200012180384_100009817552 [1,1,0,0,0,0|2,0,0]=4 8002 B14R1.1600 Cc1ccc(c(c1)C#N)OC[C@@H](C)O 7a_200012180384_100009817552 [1,1,0,0,0,0|2,0,0]=4 8003 B14R1.1600 Cc1ccc(c(c1)CO)OCC(C)O 34a_200011846009_100011218427 [1,1,0,0,0,0|2,0,0]=4 8004 B14R1.1600 Cc1ccc(c(c1)CO)OCC(C)O 7a_200011846009_100011218427 [1,1,0,0,0,0|2,0,0]=4 8005 B14R1.1600 Cc1ccc(c(c1)CO)OC[C@@H](C)O 34a_200011846009_100009817552 [1,1,0,0,0,0|2,0,0]=4 8006 B14R1.1600 Cc1ccc(c(c1)CO)OC[C@@H](C)O 7a_200011846009_100009817552 [1,1,0,0,0,0|2,0,0]=4 8007 B14R1.1865 C=C(C)COc1cc(ccc1OC)Br 34a_100009816560_100000748629 [1,1,0,0,0,0|1,0,1]=4 8008 B14R1.1865 C=C(C)COc1cc(ccc1OC)Br 7a_100009816560_100000748629 [1,1,0,0,0,0|1,0,1]=4 8009 B14R1.1865 C=C(C)COc1cc(ccc1OC)C 34a_100011216497_100000748629 [1,1,0,0,0,0|1,0,1]=4 8010 B14R1.1865 C=C(C)COc1cc(ccc1OC)C 7a_100011216497_100000748629 [1,1,0,0,0,0|1,0,1]=4 8011 B14R1.1865 C=C(C)COc1cc(ccc1OC)Cl 34a_100000101779_100000748629 [1,1,0,0,0,0|1,0,1]=4 8012 B14R1.1865 C=C(C)COc1cc(ccc1OC)Cl 7a_100000101779_100000748629 [1,1,0,0,0,0|1,0,1]=4 8013 B14R1.1865 C=C(C)COc1cc(ccc1OC)F 34a_100000034962_100000748629 [1,1,0,0,0,0|1,0,1]=4 8014 B14R1.1865 C=C(C)COc1cc(ccc1OC)F 7a_100000034962_100000748629 [1,1,0,0,0,0|1,0,1]=4 8015 B14R1.1865 C=C(C)COc1cc(ccc1OC)N 34a_100000211920_100000748629 [1,1,0,0,0,0|1,0,1]=4 8016 B14R1.1865 CC(O)COc1cc(ccc1C#N)Br 34a_100011934713_100011218427 [1,1,0,0,0,0|2,0,0]=4 8017 B14R1.1865 CC(O)COc1cc(ccc1C#N)Br 7a_100011934713_100011218427 [1,1,0,0,0,0|2,0,0]=4 8018 B14R1.1865 CC(O)COc1cc(ccc1C#N)Cl 34a_100000688488_100011218427 [1,1,0,0,0,0|2,0,0]=4 8019 B14R1.1865 CC(O)COc1cc(ccc1C#N)Cl 7a_100000688488_100011218427 [1,1,0,0,0,0|2,0,0]=4 8020 B14R1.1865 CC(O)COc1cc(ccc1C#N)F 34a_100012185923_100011218427 [1,1,0,0,0,0|2,0,0]=4 8021 B14R1.1865 CC(O)COc1cc(ccc1C#N)F 7a_100012185923_100011218427 [1,1,0,0,0,0|2,0,0]=4 8022 B14R1.1865 CC(O)COc1cc(ccc1C#N)N 34a_100000094571_100011218427 [1,1,0,0,0,0|2,0,0]=4 8023 B14R1.1865 CC(O)COc1cc(ccc1C#N)N 7a_100000094571_100011218427 [1,1,0,0,0,0|2,0,0]=4 8024 B14R1.1865 CC(O)COc1cc(ccc1CO)Br 34a_100000071718_100011218427 [1,1,0,0,0,0|2,0,0]=4 8025 B14R1.1865 CC(O)COc1cc(ccc1CO)Br 7a_100000071718_100011218427 [1,1,0,0,0,0|2,0,0]=4 8026 B14R1.1865 CCc1ccc(cc1NCC(C)O)Br 2230a_100012354963_100011218427 [1,1,0,0,0,0|2,0,0]=4 8027 B14R1.1865 CCc1ccc(cc1NCC(C)O)Br 34a_100012354963_100011218427 [1,1,0,0,0,0|2,0,0]=4 8028 B14R1.1865 CCc1ccc(cc1NCC(C)O)Br 7a_100012354963_100011218427 [1,1,0,0,0,0|2,0,0]=4 8029 B14R1.1865 CCc1ccc(cc1NCC(C)O)Cl 2230a_200012281948_100011218427 [1,1,0,0,0,0|2,0,0]=4 8030 B14R1.1865 CCc1ccc(cc1NCC(C)O)Cl 34a_200012281948_100011218427 [1,1,0,0,0,0|2,0,0]=4 8031 B14R1.1865 CCc1ccc(cc1NCC(C)O)Cl 7a_200012281948_100011218427 [1,1,0,0,0,0|2,0,0]=4 8032 B14R1.1865 CCc1ccc(cc1NC[C@@H](C)O)Br 2230a_100012354963_100009817552 [1,1,0,0,0,0|2,0,0]=4 8033 B14R1.1865 CCc1ccc(cc1NC[C@@H](C)O)Br 34a_100012354963_100009817552 [1,1,0,0,0,0|2,0,0]=4 8034 B14R1.1865 CCc1ccc(cc1NC[C@@H](C)O)Br 7a_100012354963_100009817552 [1,1,0,0,0,0|2,0,0]=4 8035 B14R1.1865 CCc1ccc(cc1NC[C@@H](C)O)Cl 2230a_200012281948_100009817552 [1,1,0,0,0,0|2,0,0]=4 8036 B14R1.1865 CCc1ccc(cc1NC[C@@H](C)O)Cl 34a_200012281948_100009817552 [1,1,0,0,0,0|2,0,0]=4 8037 B14R1.1865 CCc1ccc(cc1NC[C@@H](C)O)Cl 7a_200012281948_100009817552 [1,1,0,0,0,0|2,0,0]=4 8038 B14R1.1865 CNc1ccc(cc1SCC(C)O)C 62a_100000221369_100011218427 [1,1,0,0,0,0|1,1,0]=4 8039 B14R1.1865 CNc1ccc(cc1SCC(C)O)C 62a_100011218427_100000221369 [1,1,0,0,0,0|1,1,0]=4 8040 B14R1.1865 CNc1ccc(cc1SCC(C)O)F 62a_100011218427_100011246292 [1,1,0,0,0,0|1,1,0]=4 8041 B14R1.1865 CNc1ccc(cc1SCC(C)O)F 62a_100011246292_100011218427 [1,1,0,0,0,0|1,1,0]=4 8042 B14R1.1865 CNc1ccc(cc1SC[C@@H](C)O)C 62a_100000221369_100009817552 [1,1,0,0,0,0|1,1,0]=4 8043 B14R1.1865 CNc1ccc(cc1SC[C@@H](C)O)C 62a_100009817552_100000221369 [1,1,0,0,0,0|1,1,0]=4 8044 B14R1.1865 CNc1ccc(cc1SC[C@@H](C)O)F 62a_100009817552_100011246292 [1,1,0,0,0,0|1,1,0]=4 8045 B14R1.1865 CNc1ccc(cc1SC[C@@H](C)O)F 62a_100011246292_100009817552 [1,1,0,0,0,0|1,1,0]=4 8046 B14R1.1865 COc1c[nH]c(=O)cc1SCC(C)O 62a_100011218427_100121573661 [1,1,0,0,0,0|1,1,0]=4 8047 B14R1.1865 COc1c[nH]c(=O)cc1SCC(C)O 62a_100121573661_100011218427 [1,1,0,0,0,0|1,1,0]=4 8048 B14R1.1865 COc1c[nH]c(=O)cc1SC[C@@H](C)O 62a_100009817552_100121573661 [1,1,0,0,0,0|1,1,0]=4 8049 B14R1.1865 COc1c[nH]c(=O)cc1SC[C@@H](C)O 62a_100121573661_100009817552 [1,1,0,0,0,0|1,1,0]=4 8050 B14R1.1865 COc1ccc(cc1C=CC(C)O)Br 271570a_200011019289_100012351588 [1,1,0,0,0,0|1,0,1]=4 8051 B14R1.1865 COc1ccc(cc1C=CC(C)O)C 271570a_200011019289_100000186399 [1,1,0,0,0,0|1,0,1]=4 8052 B14R1.1865 COc1ccc(cc1C=CC(C)O)Cl 271570a_200011019289_100011215930 [1,1,0,0,0,0|1,0,1]=4 8053 B14R1.1865 COc1ccc(cc1C=CC(C)O)F 271570a_200011019289_100000171694 [1,1,0,0,0,0|1,0,1]=4 8054 B14R1.1865 COc1ccc(cc1C=CC(C)O)N 271570a_200011019289_100000187427 [1,1,0,0,0,0|1,0,1]=4 8055 B14R1.1865 COc1ccc(cc1C=CC(C)O)O 271570a_200011019289_100010084122 [1,1,0,0,0,0|1,0,1]=4 8056 B14R1.1865 COc1ccc(cc1NCC(C)C)Br 34a_100000743470_100000210624 [1,1,0,0,0,0|2,0,0]=4 8057 B14R1.1865 COc1ccc(cc1NCC(C)C)C 2230a_100000210980_100000210760 [1,1,0,0,0,0|2,0,0]=4 8058 B14R1.1865 COc1ccc(cc1NCC(C)C)C 34a_100000210980_100000210624 [1,1,0,0,0,0|2,0,0]=4 8059 B14R1.1865 COc1ccc(cc1NCC(C)C)Cl 34a_100000182114_100000210624 [1,1,0,0,0,0|2,0,0]=4 8060 B14R1.1865 COc1ccc(cc1NCC(C)C)F 34a_100000757179_100000210624 [1,1,0,0,0,0|2,0,0]=4 8061 B14R1.1865 COc1ccc(cc1NCC(C)O)Br 34a_100000743470_100011218427 [1,1,0,0,0,0|1,0,0]=3 8062 B14R1.1865 COc1ccc(cc1NCC(C)O)C 2230a_100000210980_100011218427 [1,1,0,0,0,0|1,0,0]=3 8063 B14R1.1865 COc1ccc(cc1NCC(C)O)C 34a_100000210980_100011218427 [1,1,0,0,0,0|1,0,0]=3 8064 B14R1.1865 COc1ccc(cc1NCC(C)O)Cl 34a_100000182114_100011218427 [1,1,0,0,0,0|1,0,0]=3 8065 B14R1.1865 COc1ccc(cc1NCC(C)O)F 34a_100000757179_100011218427 [1,1,0,0,0,0|1,0,0]=3 8066 B14R1.1865 COc1ccc(cc1NC[C@@H](C)O)Br 34a_100000743470_100009817552 [1,1,0,0,0,0|1,0,0]=3 8067 B14R1.1865 COc1ccc(cc1NC[C@@H](C)O)C 2230a_100000210980_100009817552 [1,1,0,0,0,0|1,0,0]=3 8068 B14R1.1865 COc1ccc(cc1NC[C@@H](C)O)C 34a_100000210980_100009817552 [1,1,0,0,0,0|1,0,0]=3 8069 B14R1.1865 COc1ccc(cc1NC[C@@H](C)O)Cl 34a_100000182114_100009817552 [1,1,0,0,0,0|1,0,0]=3 8070 B14R1.1865 COc1ccc(cc1NC[C@@H](C)O)F 34a_100000757179_100009817552 [1,1,0,0,0,0|1,0,0]=3 8071 B14R1.1865 COc1ccc(cc1OCC(C)C)Br 34a_100009816560_100000210624 [1,1,0,0,0,0|1,0,0]=3 8072 B14R1.1865 COc1ccc(cc1OCC(C)C)Br 7a_100009816560_100000210760 [1,1,0,0,0,0|1,0,0]=3 8073 B14R1.1865 COc1ccc(cc1OCC(C)C)C 34a_100011216497_100000210624 [1,1,0,0,0,0|1,0,0]=3 8074 B14R1.1865 COc1ccc(cc1OCC(C)C)C 7a_100011216497_100000210760 [1,1,0,0,0,0|1,0,0]=3 8075 B14R1.1865 COc1ccc(cc1OCC(C)C)Cl 34a_100000101779_100000210624 [1,1,0,0,0,0|1,0,0]=3 8076 B14R1.1865 COc1ccc(cc1OCC(C)C)Cl 7a_100000101779_100000210760 [1,1,0,0,0,0|1,0,0]=3 8077 B14R1.1865 COc1ccc(cc1OCC(C)C)F 34a_100000034962_100000210624 [1,1,0,0,0,0|1,0,0]=3 8078 B14R1.1865 COc1ccc(cc1OCC(C)C)F 7a_100000034962_100000210760 [1,1,0,0,0,0|1,0,0]=3 8079 B14R1.1865 COc1ccc(cc1OCC(C)C)N 34a_100000211920_100000210624 [1,1,0,0,0,0|1,0,0]=3 8080 B14R1.1865 COc1ccc(cc1OCC(C)O)Br 34a_100009816560_100011218427 [1,1,0,0,0,0|0,0,0]=2 8081 B14R1.1865 COc1ccc(cc1OCC(C)O)Br 7a_100009816560_100011218427 [1,1,0,0,0,0|0,0,0]=2 8082 B14R1.1865 COc1ccc(cc1OCC(C)O)C 34a_100011216497_100011218427 [1,1,0,0,0,0|0,0,0]=2 8083 B14R1.1865 COc1ccc(cc1OCC(C)O)C 7a_100011216497_100011218427 [1,1,0,0,0,0|0,0,0]=2 8084 B14R1.1865 COc1ccc(cc1OCC(C)O)Cl 34a_100000101779_100011218427 [1,1,0,0,0,0|0,0,0]=2 8085 B14R1.1865 COc1ccc(cc1OCC(C)O)Cl 7a_100000101779_100011218427 [1,1,0,0,0,0|0,0,0]=2 8086 B14R1.1865 COc1ccc(cc1OCC(C)O)F 34a_100000034962_100011218427 [1,1,0,0,0,0|0,0,0]=2 8087 B14R1.1865 COc1ccc(cc1OCC(C)O)F 7a_100000034962_100011218427 [1,1,0,0,0,0|0,0,0]=2 8088 B14R1.1865 COc1ccc(cc1OCC(C)O)N 34a_100000211920_100011218427 [1,1,0,0,0,0|0,0,0]=2 8089 B14R1.1865 COc1ccc(cc1OCC(F)F)Br 34a_100009816560_100011934356 [1,1,0,0,0,0|2,0,0]=4 8090 B14R1.1865 COc1ccc(cc1OCC(F)F)Br 7a_100009816560_100011934356 [1,1,0,0,0,0|2,0,0]=4 8091 B14R1.1865 COc1ccc(cc1OCC(F)F)C 34a_100011216497_100011934356 [1,1,0,0,0,0|2,0,0]=4 8092 B14R1.1865 COc1ccc(cc1OCC(F)F)C 7a_100011216497_100011934356 [1,1,0,0,0,0|2,0,0]=4 8093 B14R1.1865 COc1ccc(cc1OCC(F)F)Cl 34a_100000101779_100011934356 [1,1,0,0,0,0|2,0,0]=4 8094 B14R1.1865 COc1ccc(cc1OCC(F)F)Cl 7a_100000101779_100011934356 [1,1,0,0,0,0|2,0,0]=4 8095 B14R1.1865 COc1ccc(cc1OCC(F)F)F 34a_100000034962_100011934356 [1,1,0,0,0,0|2,0,0]=4 8096 B14R1.1865 COc1ccc(cc1OCC(F)F)F 7a_100000034962_100011934356 [1,1,0,0,0,0|2,0,0]=4 8097 B14R1.1865 COc1ccc(cc1OCC(F)F)N 34a_100000211920_100011934356 [1,1,0,0,0,0|2,0,0]=4 8098 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)Br 34a_100009816560_100009817552 [1,1,0,0,0,0|0,0,0]=2 8099 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)Br 7a_100009816560_100009817552 [1,1,0,0,0,0|0,0,0]=2 8100 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)C 34a_100011216497_100009817552 [1,1,0,0,0,0|0,0,0]=2 8101 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)C 7a_100011216497_100009817552 [1,1,0,0,0,0|0,0,0]=2 8102 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)Cl 34a_100000101779_100009817552 [1,1,0,0,0,0|0,0,0]=2 8103 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)Cl 7a_100000101779_100009817552 [1,1,0,0,0,0|0,0,0]=2 8104 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)F 34a_100000034962_100009817552 [1,1,0,0,0,0|0,0,0]=2 8105 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)F 7a_100000034962_100009817552 [1,1,0,0,0,0|0,0,0]=2 8106 B14R1.1865 COc1ccc(cc1OC[C@@H](C)O)N 34a_100000211920_100009817552 [1,1,0,0,0,0|0,0,0]=2 8107 B14R1.1865 COc1ccc(cc1SCC(C)C)Br 62a_100000210624_100012351588 [1,1,0,0,0,0|1,1,0]=4 8108 B14R1.1865 COc1ccc(cc1SCC(C)C)Br 62a_100012351588_100000210760 [1,1,0,0,0,0|1,1,0]=4 8109 B14R1.1865 COc1ccc(cc1SCC(C)C)C 62a_100000186399_100000210760 [1,1,0,0,0,0|1,1,0]=4 8110 B14R1.1865 COc1ccc(cc1SCC(C)C)C 62a_100000210624_100000186399 [1,1,0,0,0,0|1,1,0]=4 8111 B14R1.1865 COc1ccc(cc1SCC(C)C)Cl 62a_100000210624_100011215930 [1,1,0,0,0,0|1,1,0]=4 8112 B14R1.1865 COc1ccc(cc1SCC(C)C)Cl 62a_100011215930_100000210760 [1,1,0,0,0,0|1,1,0]=4 8113 B14R1.1865 COc1ccc(cc1SCC(C)C)F 62a_100000171694_100000210760 [1,1,0,0,0,0|1,1,0]=4 8114 B14R1.1865 COc1ccc(cc1SCC(C)C)F 62a_100000210624_100000171694 [1,1,0,0,0,0|1,1,0]=4 8115 B14R1.1865 COc1ccc(cc1SCC(C)C)N 62a_100000210624_100011356947 [1,1,0,0,0,0|1,1,0]=4 8116 B14R1.1865 COc1ccc(cc1SCC(C)C)N 62a_100011356947_100000210760 [1,1,0,0,0,0|1,1,0]=4 8117 B14R1.1865 COc1ccc(cc1SCC(C)C)O 62a_100000210624_100010234764 [1,1,0,0,0,0|1,1,0]=4 8118 B14R1.1865 COc1ccc(cc1SCC(C)C)O 62a_100010234764_100000210760 [1,1,0,0,0,0|1,1,0]=4 8119 B14R1.1865 COc1ccc(cc1SCC(C)O)Br 62a_100011218427_100012351588 [1,1,0,0,0,0|0,1,0]=3 8120 B14R1.1865 COc1ccc(cc1SCC(C)O)Br 62a_100012351588_100011218427 [1,1,0,0,0,0|0,1,0]=3 8121 B14R1.1865 COc1ccc(cc1SCC(C)O)C 62a_100000186399_100011218427 [1,1,0,0,0,0|0,1,0]=3 8122 B14R1.1865 COc1ccc(cc1SCC(C)O)C 62a_100011218427_100000186399 [1,1,0,0,0,0|0,1,0]=3 8123 B14R1.1865 COc1ccc(cc1SCC(C)O)Cl 62a_100011215930_100011218427 [1,1,0,0,0,0|0,1,0]=3 8124 B14R1.1865 COc1ccc(cc1SCC(C)O)Cl 62a_100011218427_100011215930 [1,1,0,0,0,0|0,1,0]=3 8125 B14R1.1865 COc1ccc(cc1SCC(C)O)F 62a_100000171694_100011218427 [1,1,0,0,0,0|0,1,0]=3 8126 B14R1.1865 COc1ccc(cc1SCC(C)O)F 62a_100011218427_100000171694 [1,1,0,0,0,0|0,1,0]=3 8127 B14R1.1865 COc1ccc(cc1SCC(C)O)N 62a_100011218427_100011356947 [1,1,0,0,0,0|0,1,0]=3 8128 B14R1.1865 COc1ccc(cc1SCC(C)O)N 62a_100011356947_100011218427 [1,1,0,0,0,0|0,1,0]=3 8129 B14R1.1865 COc1ccc(cc1SCC(C)O)O 62a_100010234764_100011218427 [1,1,0,0,0,0|0,1,0]=3 8130 B14R1.1865 COc1ccc(cc1SCC(C)O)O 62a_100011218427_100010234764 [1,1,0,0,0,0|0,1,0]=3 8131 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)Br 62a_100009817552_100012351588 [1,1,0,0,0,0|0,1,0]=3 8132 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)Br 62a_100012351588_100009817552 [1,1,0,0,0,0|0,1,0]=3 8133 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)C 62a_100000186399_100009817552 [1,1,0,0,0,0|0,1,0]=3 8134 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)C 62a_100009817552_100000186399 [1,1,0,0,0,0|0,1,0]=3 8135 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)Cl 62a_100009817552_100011215930 [1,1,0,0,0,0|0,1,0]=3 8136 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)Cl 62a_100011215930_100009817552 [1,1,0,0,0,0|0,1,0]=3 8137 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)F 62a_100000171694_100009817552 [1,1,0,0,0,0|0,1,0]=3 8138 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)F 62a_100009817552_100000171694 [1,1,0,0,0,0|0,1,0]=3 8139 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)N 62a_100009817552_100011356947 [1,1,0,0,0,0|0,1,0]=3 8140 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)N 62a_100011356947_100009817552 [1,1,0,0,0,0|0,1,0]=3 8141 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)O 62a_100009817552_100010234764 [1,1,0,0,0,0|0,1,0]=3 8142 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)O 62a_100010234764_100009817552 [1,1,0,0,0,0|0,1,0]=3 8143 B14R1.1865 COc1ccc(nc1SCC(C)O)C 62a_100009820875_100011218427 [1,1,0,0,0,0|1,1,0]=4 8144 B14R1.1865 COc1ccc(nc1SCC(C)O)C 62a_100011218427_100009820875 [1,1,0,0,0,0|1,1,0]=4 8145 B14R1.1865 COc1ccc(nc1SCC(C)O)N 62a_100010172607_100011218427 [1,1,0,0,0,0|1,1,0]=4 8146 B14R1.1865 COc1ccc(nc1SCC(C)O)N 62a_100011218427_100010172607 [1,1,0,0,0,0|1,1,0]=4 8147 B14R1.1865 COc1ccc(nc1SC[C@@H](C)O)C 62a_100009817552_100009820875 [1,1,0,0,0,0|1,1,0]=4 8148 B14R1.1865 COc1ccc(nc1SC[C@@H](C)O)C 62a_100009820875_100009817552 [1,1,0,0,0,0|1,1,0]=4 8149 B14R1.1865 COc1ccc(nc1SC[C@@H](C)O)N 62a_100009817552_100010172607 [1,1,0,0,0,0|1,1,0]=4 8150 B14R1.1865 COc1ccc(nc1SC[C@@H](C)O)N 62a_100010172607_100009817552 [1,1,0,0,0,0|1,1,0]=4 8151 B14R1.1865 COc1cnc(cc1OCC(C)C)Br 34a_100010264082_100000210624 [1,1,0,0,0,0|2,0,0]=4 8152 B14R1.1865 COc1cnc(cc1OCC(C)C)Cl 34a_100009849459_100000210624 [1,1,0,0,0,0|2,0,0]=4 8153 B14R1.1865 COc1cnc(cc1OCC(C)O)Br 34a_100010264082_100011218427 [1,1,0,0,0,0|1,0,0]=3 8154 B14R1.1865 COc1cnc(cc1OCC(C)O)Cl 34a_100009849459_100011218427 [1,1,0,0,0,0|1,0,0]=3 8155 B14R1.1865 COc1cnc(cc1OC[C@@H](C)O)Br 34a_100010264082_100009817552 [1,1,0,0,0,0|1,0,0]=3 8156 B14R1.1865 COc1cnc(cc1OC[C@@H](C)O)Cl 34a_100009849459_100009817552 [1,1,0,0,0,0|1,0,0]=3 8157 B14R1.1865 COc1cnc(cc1SCC(C)O)C 62a_100010109759_100011218427 [1,1,0,0,0,0|1,1,0]=4 8158 B14R1.1865 COc1cnc(cc1SCC(C)O)C 62a_100011218427_100010109759 [1,1,0,0,0,0|1,1,0]=4 8159 B14R1.1865 COc1cnc(cc1SC[C@@H](C)O)C 62a_100009817552_100010109759 [1,1,0,0,0,0|1,1,0]=4 8160 B14R1.1865 COc1cnc(cc1SC[C@@H](C)O)C 62a_100010109759_100009817552 [1,1,0,0,0,0|1,1,0]=4 8161 B14R1.1865 COc1ncc(cc1OCC(C)C)Br 34a_100010135713_100000210624 [1,1,0,0,0,0|2,0,0]=4 8162 B14R1.1865 COc1ncc(cc1OCC(C)O)Br 34a_100010135713_100011218427 [1,1,0,0,0,0|1,0,0]=3 8163 B14R1.1865 COc1ncc(cc1OC[C@@H](C)O)Br 34a_100010135713_100009817552 [1,1,0,0,0,0|1,0,0]=3 8164 B14R1.1865 COc1ncc(cc1SCC(C)O)Br 62a_100009814608_100011218427 [1,1,0,0,0,0|1,1,0]=4 8165 B14R1.1865 COc1ncc(cc1SCC(C)O)Br 62a_100011218427_100009814608 [1,1,0,0,0,0|1,1,0]=4 8166 B14R1.1865 COc1ncc(cc1SCC(C)O)C 62a_100011218427_100012353929 [1,1,0,0,0,0|1,1,0]=4 8167 B14R1.1865 COc1ncc(cc1SCC(C)O)C 62a_100012353929_100011218427 [1,1,0,0,0,0|1,1,0]=4 8168 B14R1.1865 COc1ncc(cc1SCC(C)O)F 62a_100009828472_100011218427 [1,1,0,0,0,0|1,1,0]=4 8169 B14R1.1865 COc1ncc(cc1SCC(C)O)F 62a_100011218427_100009828472 [1,1,0,0,0,0|1,1,0]=4 8170 B14R1.1865 COc1ncc(cc1SCC(C)O)N 62a_100011218427_100012351452 [1,1,0,0,0,0|1,1,0]=4 8171 B14R1.1865 COc1ncc(cc1SCC(C)O)N 62a_100012351452_100011218427 [1,1,0,0,0,0|1,1,0]=4 8172 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)Br 62a_100009814608_100009817552 [1,1,0,0,0,0|1,1,0]=4 8173 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)Br 62a_100009817552_100009814608 [1,1,0,0,0,0|1,1,0]=4 8174 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)C 62a_100009817552_100012353929 [1,1,0,0,0,0|1,1,0]=4 8175 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)C 62a_100012353929_100009817552 [1,1,0,0,0,0|1,1,0]=4 8176 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)F 62a_100009817552_100009828472 [1,1,0,0,0,0|1,1,0]=4 8177 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)F 62a_100009828472_100009817552 [1,1,0,0,0,0|1,1,0]=4 8178 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)N 62a_100009817552_100012351452 [1,1,0,0,0,0|1,1,0]=4 8179 B14R1.1865 COc1ncc(cc1SC[C@@H](C)O)N 62a_100012351452_100009817552 [1,1,0,0,0,0|1,1,0]=4 8180 B14R1.1865 CSc1ccc(cc1NCC(C)O)Cl 34a_100000745667_100011218427 [1,1,0,0,0,0|1,1,0]=4 8181 B14R1.1865 CSc1ccc(cc1NC[C@@H](C)O)Cl 34a_100000745667_100009817552 [1,1,0,0,0,0|1,1,0]=4 8182 B14R1.1865 CSc1ccc(cc1SCC(C)O)C 62a_100011218427_200010201864 [1,1,0,0,0,0|0,2,0]=4 8183 B14R1.1865 CSc1ccc(cc1SCC(C)O)C 62a_200010201864_100011218427 [1,1,0,0,0,0|0,2,0]=4 8184 B14R1.1865 CSc1ccc(cc1SCC(C)O)F 62a_100009817003_100011218427 [1,1,0,0,0,0|0,2,0]=4 8185 B14R1.1865 CSc1ccc(cc1SCC(C)O)F 62a_100011218427_100009817003 [1,1,0,0,0,0|0,2,0]=4 8186 B14R1.1865 CSc1ccc(cc1SC[C@@H](C)O)C 62a_100009817552_200010201864 [1,1,0,0,0,0|0,2,0]=4 8187 B14R1.1865 CSc1ccc(cc1SC[C@@H](C)O)C 62a_200010201864_100009817552 [1,1,0,0,0,0|0,2,0]=4 8188 B14R1.1865 CSc1ccc(cc1SC[C@@H](C)O)F 62a_100009817003_100009817552 [1,1,0,0,0,0|0,2,0]=4 8189 B14R1.1865 CSc1ccc(cc1SC[C@@H](C)O)F 62a_100009817552_100009817003 [1,1,0,0,0,0|0,2,0]=4 8190 B14R1.1865 C[C@@H](O)COc1cc(ccc1C#N)Br 34a_100011934713_100009817552 [1,1,0,0,0,0|2,0,0]=4 8191 B14R1.1865 C[C@@H](O)COc1cc(ccc1C#N)Br 7a_100011934713_100009817552 [1,1,0,0,0,0|2,0,0]=4 8192 B14R1.1865 C[C@@H](O)COc1cc(ccc1C#N)Cl 34a_100000688488_100009817552 [1,1,0,0,0,0|2,0,0]=4 8193 B14R1.1865 C[C@@H](O)COc1cc(ccc1C#N)Cl 7a_100000688488_100009817552 [1,1,0,0,0,0|2,0,0]=4 8194 B14R1.1865 C[C@@H](O)COc1cc(ccc1C#N)F 34a_100012185923_100009817552 [1,1,0,0,0,0|2,0,0]=4 8195 B14R1.1865 C[C@@H](O)COc1cc(ccc1C#N)F 7a_100012185923_100009817552 [1,1,0,0,0,0|2,0,0]=4 8196 B14R1.1865 C[C@@H](O)COc1cc(ccc1C#N)N 34a_100000094571_100009817552 [1,1,0,0,0,0|2,0,0]=4 8197 B14R1.1865 C[C@@H](O)COc1cc(ccc1C#N)N 7a_100000094571_100009817552 [1,1,0,0,0,0|2,0,0]=4 8198 B14R1.1865 C[C@@H](O)COc1cc(ccc1CO)Br 34a_100000071718_100009817552 [1,1,0,0,0,0|2,0,0]=4 8199 B14R1.1865 C[C@@H](O)COc1cc(ccc1CO)Br 7a_100000071718_100009817552 [1,1,0,0,0,0|2,0,0]=4 8200 B14R1.1865 Cc1ccc(c(c1)OCC(C)O)C#N 34a_100011640519_100011218427 [1,1,0,0,0,0|2,0,0]=4 8201 B14R1.1865 Cc1ccc(c(c1)OCC(C)O)C#N 7a_100011640519_100011218427 [1,1,0,0,0,0|2,0,0]=4 8202 B14R1.1865 Cc1ccc(c(c1)OC[C@@H](C)O)C#N 34a_100011640519_100009817552 [1,1,0,0,0,0|2,0,0]=4 8203 B14R1.1865 Cc1ccc(c(c1)OC[C@@H](C)O)C#N 7a_100011640519_100009817552 [1,1,0,0,0,0|2,0,0]=4 8204 B14R1.2172 C=C(C)COc1c(cccc1OC)Br 34a_100000686866_100000748629 [1,1,0,0,0,0|1,0,1]=4 8205 B14R1.2172 C=C(C)COc1c(cccc1OC)C 34a_100011219253_100000748629 [1,1,0,0,0,0|1,0,1]=4 8206 B14R1.2172 C=C(C)COc1c(cccc1OC)C 7a_100011219253_100000748629 [1,1,0,0,0,0|1,0,1]=4 8207 B14R1.2172 C=C(C)COc1c(cccc1OC)Cl 34a_100009851661_100000748629 [1,1,0,0,0,0|1,0,1]=4 8208 B14R1.2172 C=C(C)COc1c(cccc1OC)Cl 7a_100009851661_100000748629 [1,1,0,0,0,0|1,0,1]=4 8209 B14R1.2172 C=C(C)COc1c(cccc1OC)F 34a_100000036725_100000748629 [1,1,0,0,0,0|1,0,1]=4 8210 B14R1.2172 C=C(C)COc1c(cccc1OC)F 7a_100000036725_100000748629 [1,1,0,0,0,0|1,0,1]=4 8211 B14R1.2172 C=C(C)COc1c(cccc1OC)N 34a_100000123586_100000748629 [1,1,0,0,0,0|1,0,1]=4 8212 B14R1.2172 CC(O)COc1c(cccc1C#N)Br 34a_100009817103_100011218427 [1,1,0,0,0,0|2,0,0]=4 8213 B14R1.2172 CC(O)COc1c(cccc1C#N)Cl 34a_100009866432_100011218427 [1,1,0,0,0,0|2,0,0]=4 8214 B14R1.2172 CC(O)COc1c(cccc1C#N)Cl 7a_100009866432_100011218427 [1,1,0,0,0,0|2,0,0]=4 8215 B14R1.2172 CC(O)COc1c(cccc1C#N)F 34a_100000117915_100011218427 [1,1,0,0,0,0|2,0,0]=4 8216 B14R1.2172 CC(O)COc1c(cccc1C#N)F 7a_100000117915_100011218427 [1,1,0,0,0,0|2,0,0]=4 8217 B14R1.2172 CC(O)COc1c(cccc1CO)F 34a_100011997349_100011218427 [1,1,0,0,0,0|2,0,0]=4 8218 B14R1.2172 CC(O)COc1c(cccc1CO)F 7a_100011997349_100011218427 [1,1,0,0,0,0|2,0,0]=4 8219 B14R1.2172 CCc1cccc(c1NCC(C)O)C 2230a_100000210048_100011218427 [1,1,0,0,0,0|2,0,0]=4 8220 B14R1.2172 CCc1cccc(c1NCC(C)O)C 34a_100000210048_100011218427 [1,1,0,0,0,0|2,0,0]=4 8221 B14R1.2172 CCc1cccc(c1NCC(C)O)C 7a_100000210048_100011218427 [1,1,0,0,0,0|2,0,0]=4 8222 B14R1.2172 CCc1cccc(c1NC[C@@H](C)O)C 2230a_100000210048_100009817552 [1,1,0,0,0,0|2,0,0]=4 8223 B14R1.2172 CCc1cccc(c1NC[C@@H](C)O)C 34a_100000210048_100009817552 [1,1,0,0,0,0|2,0,0]=4 8224 B14R1.2172 CCc1cccc(c1NC[C@@H](C)O)C 7a_100000210048_100009817552 [1,1,0,0,0,0|2,0,0]=4 8225 B14R1.2172 CCc1cccc(c1OCC(C)C)Br 34a_200010001580_100000210624 [1,1,0,0,0,0|2,0,0]=4 8226 B14R1.2172 CCc1cccc(c1OCC(C)C)Br 7a_200010001580_100000210760 [1,1,0,0,0,0|2,0,0]=4 8227 B14R1.2172 CCc1cccc(c1OCC(C)C)C 34a_100000034007_100000210624 [1,1,0,0,0,0|2,0,0]=4 8228 B14R1.2172 CCc1cccc(c1OCC(C)C)C 7a_100000034007_100000210760 [1,1,0,0,0,0|2,0,0]=4 8229 B14R1.2172 CCc1cccc(c1OCC(C)O)Br 34a_200010001580_100011218427 [1,1,0,0,0,0|1,0,0]=3 8230 B14R1.2172 CCc1cccc(c1OCC(C)O)Br 7a_200010001580_100011218427 [1,1,0,0,0,0|1,0,0]=3 8231 B14R1.2172 CCc1cccc(c1OCC(C)O)C 34a_100000034007_100011218427 [1,1,0,0,0,0|1,0,0]=3 8232 B14R1.2172 CCc1cccc(c1OCC(C)O)C 7a_100000034007_100011218427 [1,1,0,0,0,0|1,0,0]=3 8233 B14R1.2172 CCc1cccc(c1OC[C@@H](C)O)Br 34a_200010001580_100009817552 [1,1,0,0,0,0|1,0,0]=3 8234 B14R1.2172 CCc1cccc(c1OC[C@@H](C)O)Br 7a_200010001580_100009817552 [1,1,0,0,0,0|1,0,0]=3 8235 B14R1.2172 CCc1cccc(c1OC[C@@H](C)O)C 34a_100000034007_100009817552 [1,1,0,0,0,0|1,0,0]=3 8236 B14R1.2172 CCc1cccc(c1OC[C@@H](C)O)C 7a_100000034007_100009817552 [1,1,0,0,0,0|1,0,0]=3 8237 B14R1.2172 CCc1cccc(c1SCC(C)O)C 62a_100000036235_100011218427 [1,1,0,0,0,0|1,1,0]=4 8238 B14R1.2172 CCc1cccc(c1SCC(C)O)C 62a_100011218427_100000036235 [1,1,0,0,0,0|1,1,0]=4 8239 B14R1.2172 CCc1cccc(c1SC[C@@H](C)O)C 62a_100000036235_100009817552 [1,1,0,0,0,0|1,1,0]=4 8240 B14R1.2172 CCc1cccc(c1SC[C@@H](C)O)C 62a_100009817552_100000036235 [1,1,0,0,0,0|1,1,0]=4 8241 B14R1.2172 CCc1occc(=O)c1OCC(C)O 34a_100000033269_100011218427 [1,1,0,0,0,0|2,0,0]=4 8242 B14R1.2172 CCc1occc(=O)c1OC[C@@H](C)O 34a_100000033269_100009817552 [1,1,0,0,0,0|2,0,0]=4 8243 B14R1.2172 COc1cccc(c1C=CC(C)O)Br 271570a_200011019289_100010131421 [1,1,0,0,0,0|1,0,1]=4 8244 B14R1.2172 COc1cccc(c1C=CC(C)O)F 271570a_200011019289_100000041735 [1,1,0,0,0,0|1,0,1]=4 8245 B14R1.2172 COc1cccc(c1C=CC(C)O)N 271570a_200011019289_100000703447 [1,1,0,0,0,0|1,0,1]=4 8246 B14R1.2172 COc1cccc(c1C=CC(C)O)O 271570a_200011019289_100010202623 [1,1,0,0,0,0|1,0,1]=4 8247 B14R1.2172 COc1cccc(c1NCC(C)C)Br 34a_100000708083_100000210624 [1,1,0,0,0,0|2,0,0]=4 8248 B14R1.2172 COc1cccc(c1NCC(C)C)C 2230a_100000758225_100000210760 [1,1,0,0,0,0|2,0,0]=4 8249 B14R1.2172 COc1cccc(c1NCC(C)C)C 34a_100000758225_100000210624 [1,1,0,0,0,0|2,0,0]=4 8250 B14R1.2172 COc1cccc(c1NCC(C)C)Cl 34a_100011309317_100000210624 [1,1,0,0,0,0|2,0,0]=4 8251 B14R1.2172 COc1cccc(c1NCC(C)C)F 34a_100000686744_100000210624 [1,1,0,0,0,0|2,0,0]=4 8252 B14R1.2172 COc1cccc(c1NCC(C)C)O 34a_100012022766_100000210624 [1,1,0,0,0,0|2,0,0]=4 8253 B14R1.2172 COc1cccc(c1NCC(C)O)Br 34a_100000708083_100011218427 [1,1,0,0,0,0|1,0,0]=3 8254 B14R1.2172 COc1cccc(c1NCC(C)O)C 2230a_100000758225_100011218427 [1,1,0,0,0,0|1,0,0]=3 8255 B14R1.2172 COc1cccc(c1NCC(C)O)C 34a_100000758225_100011218427 [1,1,0,0,0,0|1,0,0]=3 8256 B14R1.2172 COc1cccc(c1NCC(C)O)Cl 34a_100011309317_100011218427 [1,1,0,0,0,0|1,0,0]=3 8257 B14R1.2172 COc1cccc(c1NCC(C)O)F 34a_100000686744_100011218427 [1,1,0,0,0,0|1,0,0]=3 8258 B14R1.2172 COc1cccc(c1NCC(C)O)O 34a_100012022766_100011218427 [1,1,0,0,0,0|1,0,0]=3 8259 B14R1.2172 COc1cccc(c1NC[C@@H](C)O)Br 34a_100000708083_100009817552 [1,1,0,0,0,0|1,0,0]=3 8260 B14R1.2172 COc1cccc(c1NC[C@@H](C)O)C 2230a_100000758225_100009817552 [1,1,0,0,0,0|1,0,0]=3 8261 B14R1.2172 COc1cccc(c1NC[C@@H](C)O)C 34a_100000758225_100009817552 [1,1,0,0,0,0|1,0,0]=3 8262 B14R1.2172 COc1cccc(c1NC[C@@H](C)O)Cl 34a_100011309317_100009817552 [1,1,0,0,0,0|1,0,0]=3 8263 B14R1.2172 COc1cccc(c1NC[C@@H](C)O)F 34a_100000686744_100009817552 [1,1,0,0,0,0|1,0,0]=3 8264 B14R1.2172 COc1cccc(c1NC[C@@H](C)O)O 34a_100012022766_100009817552 [1,1,0,0,0,0|1,0,0]=3 8265 B14R1.2172 COc1cccc(c1OCC(C)C)Br 34a_100000686866_100000210624 [1,1,0,0,0,0|1,0,0]=3 8266 B14R1.2172 COc1cccc(c1OCC(C)C)C 34a_100011219253_100000210624 [1,1,0,0,0,0|1,0,0]=3 8267 B14R1.2172 COc1cccc(c1OCC(C)C)C 7a_100011219253_100000210760 [1,1,0,0,0,0|1,0,0]=3 8268 B14R1.2172 COc1cccc(c1OCC(C)C)Cl 34a_100009851661_100000210624 [1,1,0,0,0,0|1,0,0]=3 8269 B14R1.2172 COc1cccc(c1OCC(C)C)Cl 7a_100009851661_100000210760 [1,1,0,0,0,0|1,0,0]=3 8270 B14R1.2172 COc1cccc(c1OCC(C)C)F 34a_100000036725_100000210624 [1,1,0,0,0,0|1,0,0]=3 8271 B14R1.2172 COc1cccc(c1OCC(C)C)F 7a_100000036725_100000210760 [1,1,0,0,0,0|1,0,0]=3 8272 B14R1.2172 COc1cccc(c1OCC(C)C)N 34a_100000123586_100000210624 [1,1,0,0,0,0|1,0,0]=3 8273 B14R1.2172 COc1cccc(c1OCC(C)O)Br 34a_100000686866_100011218427 [1,1,0,0,0,0|0,0,0]=2 8274 B14R1.2172 COc1cccc(c1OCC(C)O)C 34a_100011219253_100011218427 [1,1,0,0,0,0|0,0,0]=2 8275 B14R1.2172 COc1cccc(c1OCC(C)O)C 7a_100011219253_100011218427 [1,1,0,0,0,0|0,0,0]=2 8276 B14R1.2172 COc1cccc(c1OCC(C)O)Cl 34a_100009851661_100011218427 [1,1,0,0,0,0|0,0,0]=2 8277 B14R1.2172 COc1cccc(c1OCC(C)O)Cl 7a_100009851661_100011218427 [1,1,0,0,0,0|0,0,0]=2 8278 B14R1.2172 COc1cccc(c1OCC(C)O)F 34a_100000036725_100011218427 [1,1,0,0,0,0|0,0,0]=2 8279 B14R1.2172 COc1cccc(c1OCC(C)O)F 7a_100000036725_100011218427 [1,1,0,0,0,0|0,0,0]=2 8280 B14R1.2172 COc1cccc(c1OCC(C)O)N 34a_100000123586_100011218427 [1,1,0,0,0,0|0,0,0]=2 8281 B14R1.2172 COc1cccc(c1OCC(F)F)Br 34a_100000686866_100011934356 [1,1,0,0,0,0|2,0,0]=4 8282 B14R1.2172 COc1cccc(c1OCC(F)F)C 34a_100011219253_100011934356 [1,1,0,0,0,0|2,0,0]=4 8283 B14R1.2172 COc1cccc(c1OCC(F)F)C 7a_100011219253_100011934356 [1,1,0,0,0,0|2,0,0]=4 8284 B14R1.2172 COc1cccc(c1OCC(F)F)Cl 34a_100009851661_100011934356 [1,1,0,0,0,0|2,0,0]=4 8285 B14R1.2172 COc1cccc(c1OCC(F)F)Cl 7a_100009851661_100011934356 [1,1,0,0,0,0|2,0,0]=4 8286 B14R1.2172 COc1cccc(c1OCC(F)F)F 34a_100000036725_100011934356 [1,1,0,0,0,0|2,0,0]=4 8287 B14R1.2172 COc1cccc(c1OCC(F)F)F 7a_100000036725_100011934356 [1,1,0,0,0,0|2,0,0]=4 8288 B14R1.2172 COc1cccc(c1OCC(F)F)N 34a_100000123586_100011934356 [1,1,0,0,0,0|2,0,0]=4 8289 B14R1.2172 COc1cccc(c1OC[C@@H](C)O)Br 34a_100000686866_100009817552 [1,1,0,0,0,0|0,0,0]=2 8290 B14R1.2172 COc1cccc(c1OC[C@@H](C)O)C 34a_100011219253_100009817552 [1,1,0,0,0,0|0,0,0]=2 8291 B14R1.2172 COc1cccc(c1OC[C@@H](C)O)C 7a_100011219253_100009817552 [1,1,0,0,0,0|0,0,0]=2 8292 B14R1.2172 COc1cccc(c1OC[C@@H](C)O)Cl 34a_100009851661_100009817552 [1,1,0,0,0,0|0,0,0]=2 8293 B14R1.2172 COc1cccc(c1OC[C@@H](C)O)Cl 7a_100009851661_100009817552 [1,1,0,0,0,0|0,0,0]=2 8294 B14R1.2172 COc1cccc(c1OC[C@@H](C)O)F 34a_100000036725_100009817552 [1,1,0,0,0,0|0,0,0]=2 8295 B14R1.2172 COc1cccc(c1OC[C@@H](C)O)F 7a_100000036725_100009817552 [1,1,0,0,0,0|0,0,0]=2 8296 B14R1.2172 COc1cccc(c1OC[C@@H](C)O)N 34a_100000123586_100009817552 [1,1,0,0,0,0|0,0,0]=2 8297 B14R1.2172 COc1cccc(c1SCC(C)C)Br 62a_100000210624_100010131421 [1,1,0,0,0,0|1,1,0]=4 8298 B14R1.2172 COc1cccc(c1SCC(C)C)Br 62a_100010131421_100000210760 [1,1,0,0,0,0|1,1,0]=4 8299 B14R1.2172 COc1cccc(c1SCC(C)C)C 62a_100000210624_100010191535 [1,1,0,0,0,0|1,1,0]=4 8300 B14R1.2172 COc1cccc(c1SCC(C)C)C 62a_100010191535_100000210760 [1,1,0,0,0,0|1,1,0]=4 8301 B14R1.2172 COc1cccc(c1SCC(C)C)F 62a_100000210624_100000703912 [1,1,0,0,0,0|1,1,0]=4 8302 B14R1.2172 COc1cccc(c1SCC(C)C)F 62a_100000703912_100000210760 [1,1,0,0,0,0|1,1,0]=4 8303 B14R1.2172 COc1cccc(c1SCC(C)C)N 62a_100000210624_100000703447 [1,1,0,0,0,0|1,1,0]=4 8304 B14R1.2172 COc1cccc(c1SCC(C)C)N 62a_100000703447_100000210760 [1,1,0,0,0,0|1,1,0]=4 8305 B14R1.2172 COc1cccc(c1SCC(C)C)O 62a_100000210624_100010202623 [1,1,0,0,0,0|1,1,0]=4 8306 B14R1.2172 COc1cccc(c1SCC(C)O)Br 62a_100010131421_100011218427 [1,1,0,0,0,0|0,1,0]=3 8307 B14R1.2172 COc1cccc(c1SCC(C)O)Br 62a_100011218427_100010131421 [1,1,0,0,0,0|0,1,0]=3 8308 B14R1.2172 COc1cccc(c1SCC(C)O)C 62a_100010191535_100011218427 [1,1,0,0,0,0|0,1,0]=3 8309 B14R1.2172 COc1cccc(c1SCC(C)O)C 62a_100011218427_100010191535 [1,1,0,0,0,0|0,1,0]=3 8310 B14R1.2172 COc1cccc(c1SCC(C)O)F 62a_100000703912_100011218427 [1,1,0,0,0,0|0,1,0]=3 8311 B14R1.2172 COc1cccc(c1SCC(C)O)F 62a_100011218427_100000703912 [1,1,0,0,0,0|0,1,0]=3 8312 B14R1.2172 COc1cccc(c1SCC(C)O)N 62a_100000703447_100011218427 [1,1,0,0,0,0|0,1,0]=3 8313 B14R1.2172 COc1cccc(c1SCC(C)O)N 62a_100011218427_100000703447 [1,1,0,0,0,0|0,1,0]=3 8314 B14R1.2172 COc1cccc(c1SCC(C)O)O 62a_100011218427_100010202623 [1,1,0,0,0,0|0,1,0]=3 8315 B14R1.2172 COc1cccc(c1SC[C@@H](C)O)Br 62a_100009817552_100010131421 [1,1,0,0,0,0|0,1,0]=3 8316 B14R1.2172 COc1cccc(c1SC[C@@H](C)O)Br 62a_100010131421_100009817552 [1,1,0,0,0,0|0,1,0]=3 8317 B14R1.2172 COc1cccc(c1SC[C@@H](C)O)C 62a_100009817552_100010191535 [1,1,0,0,0,0|0,1,0]=3 8318 B14R1.2172 COc1cccc(c1SC[C@@H](C)O)C 62a_100010191535_100009817552 [1,1,0,0,0,0|0,1,0]=3 8319 B14R1.2172 COc1cccc(c1SC[C@@H](C)O)F 62a_100000703912_100009817552 [1,1,0,0,0,0|0,1,0]=3 8320 B14R1.2172 COc1cccc(c1SC[C@@H](C)O)F 62a_100009817552_100000703912 [1,1,0,0,0,0|0,1,0]=3 8321 B14R1.2172 COc1cccc(c1SC[C@@H](C)O)N 62a_100000703447_100009817552 [1,1,0,0,0,0|0,1,0]=3 8322 B14R1.2172 COc1cccc(c1SC[C@@H](C)O)N 62a_100009817552_100000703447 [1,1,0,0,0,0|0,1,0]=3 8323 B14R1.2172 COc1cccc(c1SC[C@@H](C)O)O 62a_100009817552_100010202623 [1,1,0,0,0,0|0,1,0]=3 8324 B14R1.2172 COc1ccnc(c1SCC(C)O)Cl 62a_100010154655_100011218427 [1,1,0,0,0,0|1,1,0]=4 8325 B14R1.2172 COc1ccnc(c1SCC(C)O)Cl 62a_100011218427_100010154655 [1,1,0,0,0,0|1,1,0]=4 8326 B14R1.2172 COc1ccnc(c1SC[C@@H](C)O)Cl 62a_100009817552_100010154655 [1,1,0,0,0,0|1,1,0]=4 8327 B14R1.2172 COc1ccnc(c1SC[C@@H](C)O)Cl 62a_100010154655_100009817552 [1,1,0,0,0,0|1,1,0]=4 8328 B14R1.2172 COc1nccc(c1SCC(C)O)C 62a_100011218427_100012353928 [1,1,0,0,0,0|1,1,0]=4 8329 B14R1.2172 COc1nccc(c1SCC(C)O)C 62a_100012353928_100011218427 [1,1,0,0,0,0|1,1,0]=4 8330 B14R1.2172 COc1nccc(c1SCC(C)O)N 62a_100010243811_100011218427 [1,1,0,0,0,0|1,1,0]=4 8331 B14R1.2172 COc1nccc(c1SCC(C)O)N 62a_100011218427_100010243811 [1,1,0,0,0,0|1,1,0]=4 8332 B14R1.2172 COc1nccc(c1SC[C@@H](C)O)C 62a_100009817552_100012353928 [1,1,0,0,0,0|1,1,0]=4 8333 B14R1.2172 COc1nccc(c1SC[C@@H](C)O)C 62a_100012353928_100009817552 [1,1,0,0,0,0|1,1,0]=4 8334 B14R1.2172 COc1nccc(c1SC[C@@H](C)O)N 62a_100009817552_100010243811 [1,1,0,0,0,0|1,1,0]=4 8335 B14R1.2172 COc1nccc(c1SC[C@@H](C)O)N 62a_100010243811_100009817552 [1,1,0,0,0,0|1,1,0]=4 8336 B14R1.2172 C[C@@H](O)COc1c(cccc1C#N)Br 34a_100009817103_100009817552 [1,1,0,0,0,0|2,0,0]=4 8337 B14R1.2172 C[C@@H](O)COc1c(cccc1C#N)Cl 34a_100009866432_100009817552 [1,1,0,0,0,0|2,0,0]=4 8338 B14R1.2172 C[C@@H](O)COc1c(cccc1C#N)Cl 7a_100009866432_100009817552 [1,1,0,0,0,0|2,0,0]=4 8339 B14R1.2172 C[C@@H](O)COc1c(cccc1C#N)F 34a_100000117915_100009817552 [1,1,0,0,0,0|2,0,0]=4 8340 B14R1.2172 C[C@@H](O)COc1c(cccc1C#N)F 7a_100000117915_100009817552 [1,1,0,0,0,0|2,0,0]=4 8341 B14R1.2172 C[C@@H](O)COc1c(cccc1CO)F 34a_100011997349_100009817552 [1,1,0,0,0,0|2,0,0]=4 8342 B14R1.2172 C[C@@H](O)COc1c(cccc1CO)F 7a_100011997349_100009817552 [1,1,0,0,0,0|2,0,0]=4 8343 B14R1.2172 Cc1cccc(c1OCC(C)O)C#N 34a_100011659161_100011218427 [1,1,0,0,0,0|2,0,0]=4 8344 B14R1.2172 Cc1cccc(c1OCC(C)O)C#N 7a_100011659161_100011218427 [1,1,0,0,0,0|2,0,0]=4 8345 B14R1.2172 Cc1cccc(c1OCC(C)O)CN 34a_100020639391_100011218427 [1,1,0,0,0,0|2,0,0]=4 8346 B14R1.2172 Cc1cccc(c1OC[C@@H](C)O)C#N 34a_100011659161_100009817552 [1,1,0,0,0,0|2,0,0]=4 8347 B14R1.2172 Cc1cccc(c1OC[C@@H](C)O)C#N 7a_100011659161_100009817552 [1,1,0,0,0,0|2,0,0]=4 8348 B14R1.2172 Cc1cccc(c1OC[C@@H](C)O)CN 34a_100020639391_100009817552 [1,1,0,0,0,0|2,0,0]=4 8349 B14R1.3135 COc1ccccc1CC(=O)C(O)O 1458a_100000233687_100000210004 [1,1,0,0,0,0|1,0,1]=4 8350 B14R1.3135 COc1ccccc1CC(=O)[C@@H](C)O 1458a_100000717761_100000210004 [1,1,0,0,0,0|1,0,1]=4 8351 B14R1.3135 COc1ccccc1CC(=O)[C@H](C)O 1458a_217856618621_100000210004 [1,1,0,0,0,0|1,0,1]=4 8352 B14R1.3135 COc1ccccc1NC(=O)C(O)O 22a_100000210025_100000233687 [1,1,0,0,0,0|1,0,1]=4 8353 B14R1.3135 COc1ccccc1NC(=O)[C@@H](C)O 22a_100000210025_100000717761 [1,1,0,0,0,0|1,0,1]=4 8354 B14R1.3135 COc1ccccc1NC(=O)[C@H](C)O 1626a_100000210025_217856618621 [1,1,0,0,0,0|1,0,1]=4 8355 B14R1.3135 COc1ccccc1NC(=O)[C@H](C)O 22a_100000210025_217856618621 [1,1,0,0,0,0|1,0,1]=4 8356 B14R1.3135 COc1ccccc1OC(C)C(=O)C 1458a_100000188836_200000210301 [1,1,0,0,0,0|0,0,2]=4 8357 B14R1.3135 COc1ccccc1OC(C)C(=O)[13CH3] 1458a_100000188836_200025704644 [1,1,0,0,0,0|0,0,2]=4 8358 B14R1.4522 C=C(C)c1ccccc1NCC(C)O 34a_100000037685_100011218427 [1,1,0,0,0,0|2,0,0]=4 8359 B14R1.4522 C=C(C)c1ccccc1NC[C@@H](C)O 34a_100000037685_100009817552 [1,1,0,0,0,0|2,0,0]=4 8360 B14R1.4522 CC(=O)c1ccccc1SCC(C)O 62a_100000751169_100011218427 [1,1,0,0,0,0|1,1,0]=4 8361 B14R1.4522 CC(=O)c1ccccc1SC[C@@H](C)O 62a_100000751169_100009817552 [1,1,0,0,0,0|1,1,0]=4 8362 B14R1.4522 CC(=O)c1ccncc1OCC(C)O 7a_100009872882_100011218427 [1,1,0,0,0,0|2,0,0]=4 8363 B14R1.4522 CC(=O)c1ccncc1OC[C@@H](C)O 7a_100009872882_100009817552 [1,1,0,0,0,0|2,0,0]=4 8364 B14R1.4522 CC(=O)c1ncccc1OCC(C)O 34a_100000087166_100011218427 [1,1,0,0,0,0|2,0,0]=4 8365 B14R1.4522 CC(=O)c1ncccc1OCC(C)O 7a_100000087166_100011218427 [1,1,0,0,0,0|2,0,0]=4 8366 B14R1.4522 CC(=O)c1ncccc1OC[C@@H](C)O 34a_100000087166_100009817552 [1,1,0,0,0,0|2,0,0]=4 8367 B14R1.4522 CC(=O)c1ncccc1OC[C@@H](C)O 7a_100000087166_100009817552 [1,1,0,0,0,0|2,0,0]=4 8368 B14R1.4522 CC(C)COc1ccccc1C(C)C 34a_100000211617_100000210624 [1,1,0,0,0,0|2,0,0]=4 8369 B14R1.4522 CC(C)COc1ccccc1C(C)C 7a_100000211617_100000210760 [1,1,0,0,0,0|2,0,0]=4 8370 B14R1.4522 CC(C)COc1ccccc1C(C)O 34a_200011232679_100000210624 [1,1,0,0,0,0|2,0,0]=4 8371 B14R1.4522 CC(C)COc1ccccc1C(C)O 7a_200011232679_100000210760 [1,1,0,0,0,0|2,0,0]=4 8372 B14R1.4522 CC(C)COc1ccccc1[C@@H](C)N 34a_100025703389_100000210624 [1,1,0,0,0,0|2,0,0]=4 8373 B14R1.4522 CC(C)c1ccccc1NC[C@@H](C)O 2230a_100000210643_100009817552 [1,1,0,0,0,0|2,0,0]=4 8374 B14R1.4522 CC(C)c1ccccc1NC[C@@H](C)O 34a_100000210643_100009817552 [1,1,0,0,0,0|2,0,0]=4 8375 B14R1.4522 CC(C)c1ccccc1NC[C@@H](C)O 7a_100000210643_100009817552 [1,1,0,0,0,0|2,0,0]=4 8376 B14R1.4522 CC(C)c1ccccc1OC[C@@H](C)O 34a_100000211617_100009817552 [1,1,0,0,0,0|1,0,0]=3 8377 B14R1.4522 CC(C)c1ccccc1OC[C@@H](C)O 7a_100000211617_100009817552 [1,1,0,0,0,0|1,0,0]=3 8378 B14R1.4522 CC(C)c1ccccc1SC[C@@H](C)O 62a_100000708600_100009817552 [1,1,0,0,0,0|1,1,0]=4 8379 B14R1.4522 CC(C)c1ccccc1SC[C@@H](C)O 62a_100009817552_100000708600 [1,1,0,0,0,0|1,1,0]=4 8380 B14R1.4522 CC(C)c1ncccc1OC[C@@H](C)O 34a_100012183336_100009817552 [1,1,0,0,0,0|2,0,0]=4 8381 B14R1.4522 CC(C)c1ncccc1OC[C@@H](C)O 7a_100012183336_100009817552 [1,1,0,0,0,0|2,0,0]=4 8382 B14R1.4522 CC(N)c1ccccc1SC[C@@H](C)O 62a_100000181357_100009817552 [1,1,0,0,0,0|1,1,0]=4 8383 B14R1.4522 CC(N)c1ccccc1SC[C@@H](C)O 62a_100009817552_100000181357 [1,1,0,0,0,0|1,1,0]=4 8384 B14R1.4522 CC(O)CNc1ccccc1C(C)C 2230a_100000210643_100011218427 [1,1,0,0,0,0|2,0,0]=4 8385 B14R1.4522 CC(O)CNc1ccccc1C(C)C 34a_100000210643_100011218427 [1,1,0,0,0,0|2,0,0]=4 8386 B14R1.4522 CC(O)CNc1ccccc1C(C)C 7a_100000210643_100011218427 [1,1,0,0,0,0|2,0,0]=4 8387 B14R1.4522 CC(O)CNc1ccccc1C(C)O 2230a_100011405641_100011218427 [1,1,0,0,0,0|2,0,0]=4 8388 B14R1.4522 CC(O)COc1ccccc1C(=O)N 34a_100000192804_100011218427 [1,1,0,0,0,0|2,0,0]=4 8389 B14R1.4522 CC(O)COc1ccccc1C(=O)N 7a_100000192804_100011218427 [1,1,0,0,0,0|2,0,0]=4 8390 B14R1.4522 CC(O)COc1ccccc1C(=O)[O-] 7a_100015234032_100011218427 [1,1,0,0,0,0|2,0,0]=4 8391 B14R1.4522 CC(O)COc1ccccc1C(=S)N 7a_100000745089_100011218427 [1,1,0,0,0,0|2,0,0]=4 8392 B14R1.4522 CC(O)COc1ccccc1C(C)C 34a_100000211617_100011218427 [1,1,0,0,0,0|1,0,0]=3 8393 B14R1.4522 CC(O)COc1ccccc1C(C)C 7a_100000211617_100011218427 [1,1,0,0,0,0|1,0,0]=3 8394 B14R1.4522 CC(O)COc1ccccc1C(C)O 34a_200011232679_100011218427 [1,1,0,0,0,0|1,0,0]=3 8395 B14R1.4522 CC(O)COc1ccccc1C(C)O 7a_200011232679_100011218427 [1,1,0,0,0,0|1,0,0]=3 8396 B14R1.4522 CC(O)COc1ccccc1[C@@H](C)N 34a_100025703389_100011218427 [1,1,0,0,0,0|1,0,0]=3 8397 B14R1.4522 CC(O)COc1ccccc1[N+](=O)[O-] 34a_100000186319_100011218427 [1,1,0,0,0,0|2,0,0]=4 8398 B14R1.4522 CC(O)COc1ccccc1[N+](=O)[O-] 7a_100000186319_100011218427 [1,1,0,0,0,0|2,0,0]=4 8399 B14R1.4522 CC(O)COc1cccnc1C(C)C 34a_100012183336_100011218427 [1,1,0,0,0,0|2,0,0]=4 8400 B14R1.4522 CC(O)COc1cccnc1C(C)C 7a_100012183336_100011218427 [1,1,0,0,0,0|2,0,0]=4 8401 B14R1.4522 CC(O)CSc1ccccc1C(C)C 62a_100000708600_100011218427 [1,1,0,0,0,0|1,1,0]=4 8402 B14R1.4522 CC(O)CSc1ccccc1C(C)C 62a_100011218427_100000708600 [1,1,0,0,0,0|1,1,0]=4 8403 B14R1.4522 CC(O)CSc1ccccc1C(C)N 62a_100000181357_100011218427 [1,1,0,0,0,0|1,1,0]=4 8404 B14R1.4522 CC(O)CSc1ccccc1C(C)N 62a_100011218427_100000181357 [1,1,0,0,0,0|1,1,0]=4 8405 B14R1.4522 CC(O)CSc1ccccc1C(C)O 62a_100000702211_100011218427 [1,1,0,0,0,0|1,1,0]=4 8406 B14R1.4522 CC(O)CSc1ccccc1C(C)O 62a_100011218427_100000702211 [1,1,0,0,0,0|1,1,0]=4 8407 B14R1.4522 CC(O)CSc1ccccc1N(C)C 62a_100011218427_100011290883 [1,1,0,0,0,0|1,1,0]=4 8408 B14R1.4522 CC(O)CSc1ccccc1N(C)C 62a_100011290883_100011218427 [1,1,0,0,0,0|1,1,0]=4 8409 B14R1.4522 CC(O)CSc1ccccc1S(=O)C 62a_100000734199_100011218427 [1,1,0,0,0,0|0,2,0]=4 8410 B14R1.4522 CC(O)c1ccccc1NC[C@@H](C)O 2230a_100011405641_100009817552 [1,1,0,0,0,0|2,0,0]=4 8411 B14R1.4522 CC(O)c1ccccc1OC[C@@H](C)O 34a_200011232679_100009817552 [1,1,0,0,0,0|1,0,0]=3 8412 B14R1.4522 CC(O)c1ccccc1OC[C@@H](C)O 7a_200011232679_100009817552 [1,1,0,0,0,0|1,0,0]=3 8413 B14R1.4522 CC(O)c1ccccc1SC[C@@H](C)O 62a_100000702211_100009817552 [1,1,0,0,0,0|1,1,0]=4 8414 B14R1.4522 CC(O)c1ccccc1SC[C@@H](C)O 62a_100009817552_100000702211 [1,1,0,0,0,0|1,1,0]=4 8415 B14R1.4522 C[C@@H](O)COc1ccccc1C(=O)N 34a_100000192804_100009817552 [1,1,0,0,0,0|2,0,0]=4 8416 B14R1.4522 C[C@@H](O)COc1ccccc1C(=O)N 7a_100000192804_100009817552 [1,1,0,0,0,0|2,0,0]=4 8417 B14R1.4522 C[C@@H](O)COc1ccccc1C(=O)[O-] 7a_100015234032_100009817552 [1,1,0,0,0,0|2,0,0]=4 8418 B14R1.4522 C[C@@H](O)COc1ccccc1C(=S)N 7a_100000745089_100009817552 [1,1,0,0,0,0|2,0,0]=4 8419 B14R1.4522 C[C@@H](O)COc1ccccc1[C@@H](C)N 34a_100025703389_100009817552 [1,1,0,0,0,0|1,0,0]=3 8420 B14R1.4522 C[C@@H](O)COc1ccccc1[N+](=O)[O-] 34a_100000186319_100009817552 [1,1,0,0,0,0|2,0,0]=4 8421 B14R1.4522 C[C@@H](O)COc1ccccc1[N+](=O)[O-] 7a_100000186319_100009817552 [1,1,0,0,0,0|2,0,0]=4 8422 B14R1.4522 C[C@@H](O)CSc1ccccc1N(C)C 62a_100009817552_100011290883 [1,1,0,0,0,0|1,1,0]=4 8423 B14R1.4522 C[C@@H](O)CSc1ccccc1N(C)C 62a_100011290883_100009817552 [1,1,0,0,0,0|1,1,0]=4 8424 B14R1.4522 C[C@@H](O)CSc1ccccc1S(=O)C 62a_100000734199_100009817552 [1,1,0,0,0,0|0,2,0]=4 8425 B14R1.15 C=CC(O)COc1cccc(c1C)Br 34a_100012002258_100000730141 [1,1,0,0,0,0|1,0,1]=4 8426 B14R1.15 C=CC(O)COc1cccc(c1C)Br 7a_100012002258_100000730141 [1,1,0,0,0,0|1,0,1]=4 8427 B14R1.15 C=CC(O)COc1cccc(c1C)C 34a_100000185855_100000730141 [1,1,0,0,0,0|1,0,1]=4 8428 B14R1.15 C=CC(O)COc1cccc(c1C)C 7a_100000185855_100000730141 [1,1,0,0,0,0|1,0,1]=4 8429 B14R1.15 C=CC(O)COc1cccc(c1C)Cl 34a_100011265684_100000730141 [1,1,0,0,0,0|1,0,1]=4 8430 B14R1.15 C=CC(O)COc1cccc(c1C)Cl 7a_100011265684_100000730141 [1,1,0,0,0,0|1,0,1]=4 8431 B14R1.15 C=CC(O)COc1cccc(c1C)F 34a_100011217231_100000730141 [1,1,0,0,0,0|1,0,1]=4 8432 B14R1.15 C=CC(O)COc1cccc(c1C)F 7a_100011217231_100000730141 [1,1,0,0,0,0|1,0,1]=4 8433 B14R1.15 C=CC(O)COc1cccc(c1C)N 34a_100011216573_100000730141 [1,1,0,0,0,0|1,0,1]=4 8434 B14R1.15 C=CC(O)COc1cccc(c1C)N 7a_100011216573_100000730141 [1,1,0,0,0,0|1,0,1]=4 8435 B14R1.15 CCC(C)COc1cccc(c1C)Br 34a_100012002258_100000748023 [1,1,0,0,0,0|2,0,0]=4 8436 B14R1.15 CCC(C)COc1cccc(c1C)Br 7a_100012002258_100000748023 [1,1,0,0,0,0|2,0,0]=4 8437 B14R1.15 CCC(C)COc1cccc(c1C)C 34a_100000185855_100000748023 [1,1,0,0,0,0|2,0,0]=4 8438 B14R1.15 CCC(C)COc1cccc(c1C)C 7a_100000185855_100000748023 [1,1,0,0,0,0|2,0,0]=4 8439 B14R1.15 CCC(C)COc1cccc(c1C)Cl 34a_100011265684_100000748023 [1,1,0,0,0,0|2,0,0]=4 8440 B14R1.15 CCC(C)COc1cccc(c1C)Cl 7a_100011265684_100000748023 [1,1,0,0,0,0|2,0,0]=4 8441 B14R1.15 CCC(C)COc1cccc(c1C)F 34a_100011217231_100000748023 [1,1,0,0,0,0|2,0,0]=4 8442 B14R1.15 CCC(C)COc1cccc(c1C)F 7a_100011217231_100000748023 [1,1,0,0,0,0|2,0,0]=4 8443 B14R1.15 CCC(C)COc1cccc(c1C)N 34a_100011216573_100000748023 [1,1,0,0,0,0|2,0,0]=4 8444 B14R1.15 CCC(C)COc1cccc(c1C)N 7a_100011216573_100000748023 [1,1,0,0,0,0|2,0,0]=4 8445 B14R1.15 CCC(O)CNc1cccc(c1C)Br 34a_100000750434_100011218378 [1,1,0,0,0,0|2,0,0]=4 8446 B14R1.15 CCC(O)CNc1cccc(c1C)C 2230a_100000210026_100011218378 [1,1,0,0,0,0|2,0,0]=4 8447 B14R1.15 CCC(O)CNc1cccc(c1C)C 34a_100000210026_100011218378 [1,1,0,0,0,0|2,0,0]=4 8448 B14R1.15 CCC(O)CNc1cccc(c1C)C 7a_100000210026_100011218378 [1,1,0,0,0,0|2,0,0]=4 8449 B14R1.15 CCC(O)CNc1cccc(c1C)Cl 2230a_100000210441_100011218378 [1,1,0,0,0,0|2,0,0]=4 8450 B14R1.15 CCC(O)CNc1cccc(c1C)Cl 34a_100000210441_100011218378 [1,1,0,0,0,0|2,0,0]=4 8451 B14R1.15 CCC(O)CNc1cccc(c1C)Cl 7a_100000210441_100011218378 [1,1,0,0,0,0|2,0,0]=4 8452 B14R1.15 CCC(O)CNc1cccc(c1C)F 34a_100000745574_100011218378 [1,1,0,0,0,0|2,0,0]=4 8453 B14R1.15 CCC(O)CNc1cccc(c1C)F 7a_100000745574_100011218378 [1,1,0,0,0,0|2,0,0]=4 8454 B14R1.15 CCC(O)CNc1cccc(c1C)I 34a_100000761887_100011218378 [1,1,0,0,0,0|2,0,0]=4 8455 B14R1.15 CCC(O)CNc1cccc(c1C)O 34a_100011216573_100011218378 [1,1,0,0,0,0|2,0,0]=4 8456 B14R1.15 CCC(O)CNc1cccc(c1C)O 7a_100011216573_100011218378 [1,1,0,0,0,0|2,0,0]=4 8457 B14R1.15 CCC(O)CNc1cccc(c1O)Br 34a_100011934915_100011218378 [1,1,0,0,0,0|2,0,0]=4 8458 B14R1.15 CCC(O)CNc1cccc(c1O)C 34a_100000756359_100011218378 [1,1,0,0,0,0|2,0,0]=4 8459 B14R1.15 CCC(O)CNc1cccc(c1O)Cl 34a_100000754742_100011218378 [1,1,0,0,0,0|2,0,0]=4 8460 B14R1.15 CCC(O)CNc1cccc(c1O)F 34a_100011934987_100011218378 [1,1,0,0,0,0|2,0,0]=4 8461 B14R1.15 CCC(O)COc1cccc(c1Br)Br 34a_100010187966_100011218378 [1,1,0,0,0,0|2,0,0]=4 8462 B14R1.15 CCC(O)COc1cccc(c1Br)Br 7a_100010187966_100011218378 [1,1,0,0,0,0|2,0,0]=4 8463 B14R1.15 CCC(O)COc1cccc(c1Br)C 34a_100000686692_100011218378 [1,1,0,0,0,0|2,0,0]=4 8464 B14R1.15 CCC(O)COc1cccc(c1Br)C 7a_100000686692_100011218378 [1,1,0,0,0,0|2,0,0]=4 8465 B14R1.15 CCC(O)COc1cccc(c1Br)Cl 34a_100012348804_100011218378 [1,1,0,0,0,0|2,0,0]=4 8466 B14R1.15 CCC(O)COc1cccc(c1Br)Cl 7a_100012348804_100011218378 [1,1,0,0,0,0|2,0,0]=4 8467 B14R1.15 CCC(O)COc1cccc(c1Br)F 34a_100009820682_100011218378 [1,1,0,0,0,0|2,0,0]=4 8468 B14R1.15 CCC(O)COc1cccc(c1Br)F 7a_100009820682_100011218378 [1,1,0,0,0,0|2,0,0]=4 8469 B14R1.15 CCC(O)COc1cccc(c1Br)I 34a_100010187914_100011218378 [1,1,0,0,0,0|2,0,0]=4 8470 B14R1.15 CCC(O)COc1cccc(c1Br)I 7a_100010187914_100011218378 [1,1,0,0,0,0|2,0,0]=4 8471 B14R1.15 CCC(O)COc1cccc(c1Br)N 34a_100012183704_100011218378 [1,1,0,0,0,0|2,0,0]=4 8472 B14R1.15 CCC(O)COc1cccc(c1Br)N 7a_100012183704_100011218378 [1,1,0,0,0,0|2,0,0]=4 8473 B14R1.15 CCC(O)COc1cccc(c1C)Br 34a_100012002258_100011218378 [1,1,0,0,0,0|1,0,0]=3 8474 B14R1.15 CCC(O)COc1cccc(c1C)Br 7a_100012002258_100011218378 [1,1,0,0,0,0|1,0,0]=3 8475 B14R1.15 CCC(O)COc1cccc(c1C)C 34a_100000185855_100011218378 [1,1,0,0,0,0|1,0,0]=3 8476 B14R1.15 CCC(O)COc1cccc(c1C)C 7a_100000185855_100011218378 [1,1,0,0,0,0|1,0,0]=3 8477 B14R1.15 CCC(O)COc1cccc(c1C)Cl 34a_100011265684_100011218378 [1,1,0,0,0,0|1,0,0]=3 8478 B14R1.15 CCC(O)COc1cccc(c1C)Cl 7a_100011265684_100011218378 [1,1,0,0,0,0|1,0,0]=3 8479 B14R1.15 CCC(O)COc1cccc(c1C)F 34a_100011217231_100011218378 [1,1,0,0,0,0|1,0,0]=3 8480 B14R1.15 CCC(O)COc1cccc(c1C)F 7a_100011217231_100011218378 [1,1,0,0,0,0|1,0,0]=3 8481 B14R1.15 CCC(O)COc1cccc(c1C)N 34a_100011216573_100011218378 [1,1,0,0,0,0|1,0,0]=3 8482 B14R1.15 CCC(O)COc1cccc(c1C)N 7a_100011216573_100011218378 [1,1,0,0,0,0|1,0,0]=3 8483 B14R1.15 CCC(O)COc1cccc(c1Cl)Br 34a_100010187913_100011218378 [1,1,0,0,0,0|2,0,0]=4 8484 B14R1.15 CCC(O)COc1cccc(c1Cl)Br 7a_100010187913_100011218378 [1,1,0,0,0,0|2,0,0]=4 8485 B14R1.15 CCC(O)COc1cccc(c1Cl)C 34a_100000695629_100011218378 [1,1,0,0,0,0|2,0,0]=4 8486 B14R1.15 CCC(O)COc1cccc(c1Cl)C 7a_100000695629_100011218378 [1,1,0,0,0,0|2,0,0]=4 8487 B14R1.15 CCC(O)COc1cccc(c1Cl)Cl 34a_100000211076_100011218378 [1,1,0,0,0,0|2,0,0]=4 8488 B14R1.15 CCC(O)COc1cccc(c1Cl)Cl 7a_100000211076_100011218378 [1,1,0,0,0,0|2,0,0]=4 8489 B14R1.15 CCC(O)COc1cccc(c1Cl)F 34a_100000087408_100011218378 [1,1,0,0,0,0|2,0,0]=4 8490 B14R1.15 CCC(O)COc1cccc(c1Cl)F 7a_100000087408_100011218378 [1,1,0,0,0,0|2,0,0]=4 8491 B14R1.15 CCC(O)COc1cccc(c1Cl)I 34a_100000049636_100011218378 [1,1,0,0,0,0|2,0,0]=4 8492 B14R1.15 CCC(O)COc1cccc(c1Cl)I 7a_100000049636_100011218378 [1,1,0,0,0,0|2,0,0]=4 8493 B14R1.15 CCC(O)COc1cccc(c1Cl)N 34a_100012002038_100011218378 [1,1,0,0,0,0|2,0,0]=4 8494 B14R1.15 CCC(O)COc1cccc(c1Cl)N 7a_100012002038_100011218378 [1,1,0,0,0,0|2,0,0]=4 8495 B14R1.15 CCC(O)COc1cccc(c1F)Br 34a_100009817021_100011218378 [1,1,0,0,0,0|2,0,0]=4 8496 B14R1.15 CCC(O)COc1cccc(c1F)Br 7a_100009817021_100011218378 [1,1,0,0,0,0|2,0,0]=4 8497 B14R1.15 CCC(O)COc1cccc(c1F)C 34a_100000751311_100011218378 [1,1,0,0,0,0|2,0,0]=4 8498 B14R1.15 CCC(O)COc1cccc(c1F)C 7a_100000751311_100011218378 [1,1,0,0,0,0|2,0,0]=4 8499 B14R1.15 CCC(O)COc1cccc(c1F)Cl 34a_100000687438_100011218378 [1,1,0,0,0,0|2,0,0]=4 8500 B14R1.15 CCC(O)COc1cccc(c1F)Cl 7a_100000687438_100011218378 [1,1,0,0,0,0|2,0,0]=4 8501 B14R1.15 CCC(O)COc1cccc(c1F)F 34a_100000751161_100011218378 [1,1,0,0,0,0|2,0,0]=4 8502 B14R1.15 CCC(O)COc1cccc(c1F)F 7a_100000751161_100011218378 [1,1,0,0,0,0|2,0,0]=4 8503 B14R1.15 CCC(O)COc1cccc(c1I)Br 34a_100010187912_100011218378 [1,1,0,0,0,0|2,0,0]=4 8504 B14R1.15 CCC(O)COc1cccc(c1I)Br 7a_100010187912_100011218378 [1,1,0,0,0,0|2,0,0]=4 8505 B14R1.15 CCC(O)COc1cccc(c1I)C 34a_100010083724_100011218378 [1,1,0,0,0,0|2,0,0]=4 8506 B14R1.15 CCC(O)COc1cccc(c1I)C 7a_100010083724_100011218378 [1,1,0,0,0,0|2,0,0]=4 8507 B14R1.15 CCC(O)COc1cccc(c1I)Cl 34a_100000050174_100011218378 [1,1,0,0,0,0|2,0,0]=4 8508 B14R1.15 CCC(O)COc1cccc(c1I)Cl 7a_100000050174_100011218378 [1,1,0,0,0,0|2,0,0]=4 8509 B14R1.15 CCC(O)COc1cccc(c1I)F 34a_100000690913_100011218378 [1,1,0,0,0,0|2,0,0]=4 8510 B14R1.15 CCC(O)COc1cccc(c1I)F 7a_100000690913_100011218378 [1,1,0,0,0,0|2,0,0]=4 8511 B14R1.15 CCC(O)COc1cccc(c1N)Br 34a_100011934926_100011218378 [1,1,0,0,0,0|2,0,0]=4 8512 B14R1.15 CCC(O)COc1cccc(c1N)Br 7a_100011934926_100011218378 [1,1,0,0,0,0|2,0,0]=4 8513 B14R1.15 CCC(O)COc1cccc(c1N)C 34a_100000743429_100011218378 [1,1,0,0,0,0|2,0,0]=4 8514 B14R1.15 CCC(O)COc1cccc(c1N)C 7a_100000743429_100011218378 [1,1,0,0,0,0|2,0,0]=4 8515 B14R1.15 CCC(O)COc1cccc(c1N)Cl 34a_100012022510_100011218378 [1,1,0,0,0,0|2,0,0]=4 8516 B14R1.15 CCC(O)COc1cccc(c1N)Cl 7a_100012022510_100011218378 [1,1,0,0,0,0|2,0,0]=4 8517 B14R1.15 CCC(O)COc1cccc(c1N)F 34a_100020591140_100011218378 [1,1,0,0,0,0|2,0,0]=4 8518 B14R1.15 CCC(O)COc1cccc(c1N)F 7a_100020591140_100011218378 [1,1,0,0,0,0|2,0,0]=4 8519 B14R1.15 CCC(O)COc1cccc(c1N)I 34a_200000049512_100011218378 [1,1,0,0,0,0|2,0,0]=4 8520 B14R1.15 CCC(O)COc1cccc(c1N)I 7a_200000049512_100011218378 [1,1,0,0,0,0|2,0,0]=4 8521 B14R1.15 CCC(O)COc1cccc(c1N)N 34a_100000033209_100011218378 [1,1,0,0,0,0|2,0,0]=4 8522 B14R1.15 CCC(O)COc1nccc(c1C)Br 34a_100009858498_100011218378 [1,1,0,0,0,0|2,0,0]=4 8523 B14R1.15 CCC(O)CSc1cccc(c1C)Br 62a_100011218378_100012353703 [1,1,0,0,0,0|1,1,0]=4 8524 B14R1.15 CCC(O)CSc1cccc(c1C)Br 62a_100012353703_100011218378 [1,1,0,0,0,0|1,1,0]=4 8525 B14R1.15 CCC(O)CSc1cccc(c1C)C 62a_100011214922_100011218378 [1,1,0,0,0,0|1,1,0]=4 8526 B14R1.15 CCC(O)CSc1cccc(c1C)C 62a_100011218378_100011214922 [1,1,0,0,0,0|1,1,0]=4 8527 B14R1.15 CCC(O)CSc1cccc(c1C)Cl 62a_100000726075_100011218378 [1,1,0,0,0,0|1,1,0]=4 8528 B14R1.15 CCC(O)CSc1cccc(c1C)Cl 62a_100011218378_100000726075 [1,1,0,0,0,0|1,1,0]=4 8529 B14R1.15 CCC(O)CSc1cccc(c1C)F 62a_100011216893_100011218378 [1,1,0,0,0,0|1,1,0]=4 8530 B14R1.15 CCC(O)CSc1cccc(c1C)F 62a_100011218378_100011216893 [1,1,0,0,0,0|1,1,0]=4 8531 B14R1.15 CCC(O)CSc1cccc(c1C)N 62a_100000761887_100011218378 [1,1,0,0,0,0|1,1,0]=4 8532 B14R1.15 CCC(O)CSc1cccc(c1C)N 62a_100011218378_100000761887 [1,1,0,0,0,0|1,1,0]=4 8533 B14R1.15 CCC(O)CSc1cccc(c1C)O 62a_100011218378_100012002258 [1,1,0,0,0,0|1,1,0]=4 8534 B14R1.15 CCC(O)CSc1cccc(c1C)O 62a_100012002258_100011218378 [1,1,0,0,0,0|1,1,0]=4 8535 B14R1.15 CCC(O)CSc1cccc(c1O)Br 62a_100010084509_100011218378 [1,1,0,0,0,0|1,1,0]=4 8536 B14R1.15 CCC(O)CSc1cccc(c1O)Br 62a_100011218378_100010084509 [1,1,0,0,0,0|1,1,0]=4 8537 B14R1.15 CCC(O)CSc1cccc(c1O)C 62a_100009817157_100011218378 [1,1,0,0,0,0|1,1,0]=4 8538 B14R1.15 CCC(O)CSc1cccc(c1O)C 62a_100011218378_100009817157 [1,1,0,0,0,0|1,1,0]=4 8539 B14R1.15 CCC(O)CSc1cccc(c1O)Cl 62a_100010202889_100011218378 [1,1,0,0,0,0|1,1,0]=4 8540 B14R1.15 CCC(O)CSc1cccc(c1O)Cl 62a_100011218378_100010202889 [1,1,0,0,0,0|1,1,0]=4 8541 B14R1.15 CCC(O)CSc1cccc(c1O)F 62a_100009813666_100011218378 [1,1,0,0,0,0|1,1,0]=4 8542 B14R1.15 CCC(O)CSc1cccc(c1O)F 62a_100011218378_100009813666 [1,1,0,0,0,0|1,1,0]=4 8543 B14R1.15 CCC(O)CSc1cccc(c1O)N 62a_100011218378_100010084371 [1,1,0,0,0,0|1,1,0]=4 8544 B14R1.15 CCC(O)CSc1cccc(c1O)N 62a_100011934915_100011218378 [1,1,0,0,0,0|1,1,0]=4 8545 B14R1.15 CCC(O)CSc1cccc(c1O)O 62a_100011218378_100009815950 [1,1,0,0,0,0|1,1,0]=4 8546 B14R1.15 CC[C@H](C)COc1cccc(c1C)Br 34a_100012002258_100009816398 [1,1,0,0,0,0|2,0,0]=4 8547 B14R1.15 CC[C@H](C)COc1cccc(c1C)Br 7a_100012002258_100009816398 [1,1,0,0,0,0|2,0,0]=4 8548 B14R1.15 CC[C@H](C)COc1cccc(c1C)C 34a_100000185855_100009816398 [1,1,0,0,0,0|2,0,0]=4 8549 B14R1.15 CC[C@H](C)COc1cccc(c1C)C 7a_100000185855_100009816398 [1,1,0,0,0,0|2,0,0]=4 8550 B14R1.15 CC[C@H](C)COc1cccc(c1C)Cl 34a_100011265684_100009816398 [1,1,0,0,0,0|2,0,0]=4 8551 B14R1.15 CC[C@H](C)COc1cccc(c1C)Cl 7a_100011265684_100009816398 [1,1,0,0,0,0|2,0,0]=4 8552 B14R1.15 CC[C@H](C)COc1cccc(c1C)F 34a_100011217231_100009816398 [1,1,0,0,0,0|2,0,0]=4 8553 B14R1.15 CC[C@H](C)COc1cccc(c1C)F 7a_100011217231_100009816398 [1,1,0,0,0,0|2,0,0]=4 8554 B14R1.15 CC[C@H](C)COc1cccc(c1C)N 34a_100011216573_100009816398 [1,1,0,0,0,0|2,0,0]=4 8555 B14R1.15 CC[C@H](C)COc1cccc(c1C)N 7a_100011216573_100009816398 [1,1,0,0,0,0|2,0,0]=4 8556 B14R1.15 C[C@@H](CO)CNc1cccc(c1O)Br 34a_100011934915_100000059175 [1,1,0,0,0,0|2,0,0]=4 8557 B14R1.15 C[C@@H](CO)CNc1cccc(c1O)Cl 34a_100000754742_100000059175 [1,1,0,0,0,0|2,0,0]=4 8558 B14R1.15 C[C@@H](CO)CNc1cccc(c1O)F 34a_100011934987_100000059175 [1,1,0,0,0,0|2,0,0]=4 8559 B14R1.15 C[C@@H](CO)COc1cccc(c1Br)Br 34a_100010187966_100000059175 [1,1,0,0,0,0|2,0,0]=4 8560 B14R1.15 C[C@@H](CO)COc1cccc(c1Br)Br 7a_100010187966_100000059175 [1,1,0,0,0,0|2,0,0]=4 8561 B14R1.15 C[C@@H](CO)COc1cccc(c1Br)Cl 34a_100012348804_100000059175 [1,1,0,0,0,0|2,0,0]=4 8562 B14R1.15 C[C@@H](CO)COc1cccc(c1Br)Cl 7a_100012348804_100000059175 [1,1,0,0,0,0|2,0,0]=4 8563 B14R1.15 C[C@@H](CO)COc1cccc(c1Br)F 34a_100009820682_100000059175 [1,1,0,0,0,0|2,0,0]=4 8564 B14R1.15 C[C@@H](CO)COc1cccc(c1Br)F 7a_100009820682_100000059175 [1,1,0,0,0,0|2,0,0]=4 8565 B14R1.15 C[C@@H](CO)COc1cccc(c1Br)I 34a_100010187914_100000059175 [1,1,0,0,0,0|2,0,0]=4 8566 B14R1.15 C[C@@H](CO)COc1cccc(c1Br)I 7a_100010187914_100000059175 [1,1,0,0,0,0|2,0,0]=4 8567 B14R1.15 C[C@@H](CO)COc1cccc(c1Br)N 34a_100012183704_100000059175 [1,1,0,0,0,0|2,0,0]=4 8568 B14R1.15 C[C@@H](CO)COc1cccc(c1Br)N 7a_100012183704_100000059175 [1,1,0,0,0,0|2,0,0]=4 8569 B14R1.15 C[C@@H](CO)COc1cccc(c1Cl)Br 34a_100010187913_100000059175 [1,1,0,0,0,0|2,0,0]=4 8570 B14R1.15 C[C@@H](CO)COc1cccc(c1Cl)Br 7a_100010187913_100000059175 [1,1,0,0,0,0|2,0,0]=4 8571 B14R1.15 C[C@@H](CO)COc1cccc(c1Cl)Cl 34a_100000211076_100000059175 [1,1,0,0,0,0|2,0,0]=4 8572 B14R1.15 C[C@@H](CO)COc1cccc(c1Cl)Cl 7a_100000211076_100000059175 [1,1,0,0,0,0|2,0,0]=4 8573 B14R1.15 C[C@@H](CO)COc1cccc(c1Cl)F 34a_100000087408_100000059175 [1,1,0,0,0,0|2,0,0]=4 8574 B14R1.15 C[C@@H](CO)COc1cccc(c1Cl)F 7a_100000087408_100000059175 [1,1,0,0,0,0|2,0,0]=4 8575 B14R1.15 C[C@@H](CO)COc1cccc(c1Cl)I 34a_100000049636_100000059175 [1,1,0,0,0,0|2,0,0]=4 8576 B14R1.15 C[C@@H](CO)COc1cccc(c1Cl)I 7a_100000049636_100000059175 [1,1,0,0,0,0|2,0,0]=4 8577 B14R1.15 C[C@@H](CO)COc1cccc(c1Cl)N 34a_100012002038_100000059175 [1,1,0,0,0,0|2,0,0]=4 8578 B14R1.15 C[C@@H](CO)COc1cccc(c1Cl)N 7a_100012002038_100000059175 [1,1,0,0,0,0|2,0,0]=4 8579 B14R1.15 C[C@@H](CO)COc1cccc(c1F)Br 34a_100009817021_100000059175 [1,1,0,0,0,0|2,0,0]=4 8580 B14R1.15 C[C@@H](CO)COc1cccc(c1F)Br 7a_100009817021_100000059175 [1,1,0,0,0,0|2,0,0]=4 8581 B14R1.15 C[C@@H](CO)COc1cccc(c1F)Cl 34a_100000687438_100000059175 [1,1,0,0,0,0|2,0,0]=4 8582 B14R1.15 C[C@@H](CO)COc1cccc(c1F)Cl 7a_100000687438_100000059175 [1,1,0,0,0,0|2,0,0]=4 8583 B14R1.15 C[C@@H](CO)COc1cccc(c1F)F 34a_100000751161_100000059175 [1,1,0,0,0,0|2,0,0]=4 8584 B14R1.15 C[C@@H](CO)COc1cccc(c1F)F 7a_100000751161_100000059175 [1,1,0,0,0,0|2,0,0]=4 8585 B14R1.15 C[C@@H](CO)COc1cccc(c1I)Br 34a_100010187912_100000059175 [1,1,0,0,0,0|2,0,0]=4 8586 B14R1.15 C[C@@H](CO)COc1cccc(c1I)Br 7a_100010187912_100000059175 [1,1,0,0,0,0|2,0,0]=4 8587 B14R1.15 C[C@@H](CO)COc1cccc(c1I)Cl 34a_100000050174_100000059175 [1,1,0,0,0,0|2,0,0]=4 8588 B14R1.15 C[C@@H](CO)COc1cccc(c1I)Cl 7a_100000050174_100000059175 [1,1,0,0,0,0|2,0,0]=4 8589 B14R1.15 C[C@@H](CO)COc1cccc(c1I)F 34a_100000690913_100000059175 [1,1,0,0,0,0|2,0,0]=4 8590 B14R1.15 C[C@@H](CO)COc1cccc(c1I)F 7a_100000690913_100000059175 [1,1,0,0,0,0|2,0,0]=4 8591 B14R1.15 C[C@@H](CO)COc1cccc(c1N)Br 34a_100011934926_100000059175 [1,1,0,0,0,0|2,0,0]=4 8592 B14R1.15 C[C@@H](CO)COc1cccc(c1N)Br 7a_100011934926_100000059175 [1,1,0,0,0,0|2,0,0]=4 8593 B14R1.15 C[C@@H](CO)COc1cccc(c1N)Cl 34a_100012022510_100000059175 [1,1,0,0,0,0|2,0,0]=4 8594 B14R1.15 C[C@@H](CO)COc1cccc(c1N)Cl 7a_100012022510_100000059175 [1,1,0,0,0,0|2,0,0]=4 8595 B14R1.15 C[C@@H](CO)COc1cccc(c1N)F 34a_100020591140_100000059175 [1,1,0,0,0,0|2,0,0]=4 8596 B14R1.15 C[C@@H](CO)COc1cccc(c1N)F 7a_100020591140_100000059175 [1,1,0,0,0,0|2,0,0]=4 8597 B14R1.15 C[C@@H](CO)COc1cccc(c1N)I 34a_200000049512_100000059175 [1,1,0,0,0,0|2,0,0]=4 8598 B14R1.15 C[C@@H](CO)COc1cccc(c1N)I 7a_200000049512_100000059175 [1,1,0,0,0,0|2,0,0]=4 8599 B14R1.15 C[C@@H](CO)COc1cccc(c1N)N 34a_100000033209_100000059175 [1,1,0,0,0,0|2,0,0]=4 8600 B14R1.15 C[C@@H](CO)CSc1cccc(c1O)Br 62a_100000059175_100010084509 [1,1,0,0,0,0|1,1,0]=4 8601 B14R1.15 C[C@@H](CO)CSc1cccc(c1O)Br 62a_100010084509_100000059175 [1,1,0,0,0,0|1,1,0]=4 8602 B14R1.15 C[C@@H](CO)CSc1cccc(c1O)Cl 62a_100000059175_100010202889 [1,1,0,0,0,0|1,1,0]=4 8603 B14R1.15 C[C@@H](CO)CSc1cccc(c1O)Cl 62a_100010202889_100000059175 [1,1,0,0,0,0|1,1,0]=4 8604 B14R1.15 C[C@@H](CO)CSc1cccc(c1O)F 62a_100000059175_100009813666 [1,1,0,0,0,0|1,1,0]=4 8605 B14R1.15 C[C@@H](CO)CSc1cccc(c1O)F 62a_100009813666_100000059175 [1,1,0,0,0,0|1,1,0]=4 8606 B14R1.15 C[C@@H](CO)CSc1cccc(c1O)N 62a_100000059175_100010084371 [1,1,0,0,0,0|1,1,0]=4 8607 B14R1.15 C[C@@H](CO)CSc1cccc(c1O)N 62a_100011934915_100000059175 [1,1,0,0,0,0|1,1,0]=4 8608 B14R1.15 C[C@@H](CO)CSc1cccc(c1O)O 62a_100000059175_100009815950 [1,1,0,0,0,0|1,1,0]=4 8609 B14R1.15 Cc1c(cccc1NCC(O)CO)Br 34a_100000750434_100011219619 [1,1,0,0,0,0|1,0,0]=3 8610 B14R1.15 Cc1c(cccc1NCC(O)CO)Cl 2230a_100000210441_100011219619 [1,1,0,0,0,0|1,0,0]=3 8611 B14R1.15 Cc1c(cccc1NCC(O)CO)Cl 34a_100000210441_100011219619 [1,1,0,0,0,0|1,0,0]=3 8612 B14R1.15 Cc1c(cccc1NCC(O)CO)Cl 7a_100000210441_100011219619 [1,1,0,0,0,0|1,0,0]=3 8613 B14R1.15 Cc1c(cccc1NCC(O)CO)F 34a_100000745574_100011219619 [1,1,0,0,0,0|1,0,0]=3 8614 B14R1.15 Cc1c(cccc1NCC(O)CO)F 7a_100000745574_100011219619 [1,1,0,0,0,0|1,0,0]=3 8615 B14R1.15 Cc1c(cccc1NCC(O)CO)I 34a_100000761887_100011219619 [1,1,0,0,0,0|1,0,0]=3 8616 B14R1.15 Cc1c(cccc1NCC(O)CO)O 34a_100011216573_100011219619 [1,1,0,0,0,0|1,0,0]=3 8617 B14R1.15 Cc1c(cccc1NCC(O)CO)O 7a_100011216573_100011219619 [1,1,0,0,0,0|1,0,0]=3 8618 B14R1.15 Cc1c(cccc1NC[C@@H](C)CO)Br 34a_100000750434_100000059175 [1,1,0,0,0,0|2,0,0]=4 8619 B14R1.15 Cc1c(cccc1NC[C@@H](C)CO)Cl 2230a_100000210441_100000059175 [1,1,0,0,0,0|2,0,0]=4 8620 B14R1.15 Cc1c(cccc1NC[C@@H](C)CO)Cl 34a_100000210441_100000059175 [1,1,0,0,0,0|2,0,0]=4 8621 B14R1.15 Cc1c(cccc1NC[C@@H](C)CO)Cl 7a_100000210441_100000059175 [1,1,0,0,0,0|2,0,0]=4 8622 B14R1.15 Cc1c(cccc1NC[C@@H](C)CO)F 34a_100000745574_100000059175 [1,1,0,0,0,0|2,0,0]=4 8623 B14R1.15 Cc1c(cccc1NC[C@@H](C)CO)F 7a_100000745574_100000059175 [1,1,0,0,0,0|2,0,0]=4 8624 B14R1.15 Cc1c(cccc1NC[C@@H](C)CO)I 34a_100000761887_100000059175 [1,1,0,0,0,0|2,0,0]=4 8625 B14R1.15 Cc1c(cccc1NC[C@@H](C)CO)O 34a_100011216573_100000059175 [1,1,0,0,0,0|2,0,0]=4 8626 B14R1.15 Cc1c(cccc1NC[C@@H](C)CO)O 7a_100011216573_100000059175 [1,1,0,0,0,0|2,0,0]=4 8627 B14R1.15 Cc1c(cccc1NC[C@@H](O)CF)Br 34a_100000750434_100015614560 [1,1,0,0,0,0|2,0,0]=4 8628 B14R1.15 Cc1c(cccc1NC[C@@H](O)CF)Cl 2230a_100000210441_100015614560 [1,1,0,0,0,0|2,0,0]=4 8629 B14R1.15 Cc1c(cccc1NC[C@@H](O)CF)Cl 34a_100000210441_100015614560 [1,1,0,0,0,0|2,0,0]=4 8630 B14R1.15 Cc1c(cccc1NC[C@@H](O)CF)Cl 7a_100000210441_100015614560 [1,1,0,0,0,0|2,0,0]=4 8631 B14R1.15 Cc1c(cccc1NC[C@@H](O)CF)F 34a_100000745574_100015614560 [1,1,0,0,0,0|2,0,0]=4 8632 B14R1.15 Cc1c(cccc1NC[C@@H](O)CF)F 7a_100000745574_100015614560 [1,1,0,0,0,0|2,0,0]=4 8633 B14R1.15 Cc1c(cccc1NC[C@@H](O)CF)I 34a_100000761887_100015614560 [1,1,0,0,0,0|2,0,0]=4 8634 B14R1.15 Cc1c(cccc1NC[C@@H](O)CF)O 34a_100011216573_100015614560 [1,1,0,0,0,0|2,0,0]=4 8635 B14R1.15 Cc1c(cccc1NC[C@@H](O)CF)O 7a_100011216573_100015614560 [1,1,0,0,0,0|2,0,0]=4 8636 B14R1.15 Cc1c(cccc1NC[C@@H](O)CO)Br 34a_100000750434_100009815848 [1,1,0,0,0,0|1,0,0]=3 8637 B14R1.15 Cc1c(cccc1NC[C@@H](O)CO)Cl 2230a_100000210441_100009815848 [1,1,0,0,0,0|1,0,0]=3 8638 B14R1.15 Cc1c(cccc1NC[C@@H](O)CO)Cl 34a_100000210441_100009815848 [1,1,0,0,0,0|1,0,0]=3 8639 B14R1.15 Cc1c(cccc1NC[C@@H](O)CO)Cl 7a_100000210441_100009815848 [1,1,0,0,0,0|1,0,0]=3 8640 B14R1.15 Cc1c(cccc1NC[C@@H](O)CO)F 34a_100000745574_100009815848 [1,1,0,0,0,0|1,0,0]=3 8641 B14R1.15 Cc1c(cccc1NC[C@@H](O)CO)F 7a_100000745574_100009815848 [1,1,0,0,0,0|1,0,0]=3 8642 B14R1.15 Cc1c(cccc1NC[C@@H](O)CO)I 34a_100000761887_100009815848 [1,1,0,0,0,0|1,0,0]=3 8643 B14R1.15 Cc1c(cccc1NC[C@@H](O)CO)O 34a_100011216573_100009815848 [1,1,0,0,0,0|1,0,0]=3 8644 B14R1.15 Cc1c(cccc1NC[C@@H](O)CO)O 7a_100011216573_100009815848 [1,1,0,0,0,0|1,0,0]=3 8645 B14R1.15 Cc1c(cccc1OCC(O)CO)Br 34a_100012002258_100011219619 [1,1,0,0,0,0|0,0,0]=2 8646 B14R1.15 Cc1c(cccc1OCC(O)CO)Br 7a_100012002258_100011219619 [1,1,0,0,0,0|0,0,0]=2 8647 B14R1.15 Cc1c(cccc1OCC(O)CO)Cl 34a_100011265684_100011219619 [1,1,0,0,0,0|0,0,0]=2 8648 B14R1.15 Cc1c(cccc1OCC(O)CO)Cl 7a_100011265684_100011219619 [1,1,0,0,0,0|0,0,0]=2 8649 B14R1.15 Cc1c(cccc1OCC(O)CO)F 34a_100011217231_100011219619 [1,1,0,0,0,0|0,0,0]=2 8650 B14R1.15 Cc1c(cccc1OCC(O)CO)F 7a_100011217231_100011219619 [1,1,0,0,0,0|0,0,0]=2 8651 B14R1.15 Cc1c(cccc1OCC(O)CO)N 34a_100011216573_100011219619 [1,1,0,0,0,0|0,0,0]=2 8652 B14R1.15 Cc1c(cccc1OCC(O)CO)N 7a_100011216573_100011219619 [1,1,0,0,0,0|0,0,0]=2 8653 B14R1.15 Cc1c(cccc1OC[C@@H](C)CO)Br 34a_100012002258_100000059175 [1,1,0,0,0,0|1,0,0]=3 8654 B14R1.15 Cc1c(cccc1OC[C@@H](C)CO)Br 7a_100012002258_100000059175 [1,1,0,0,0,0|1,0,0]=3 8655 B14R1.15 Cc1c(cccc1OC[C@@H](C)CO)Cl 34a_100011265684_100000059175 [1,1,0,0,0,0|1,0,0]=3 8656 B14R1.15 Cc1c(cccc1OC[C@@H](C)CO)Cl 7a_100011265684_100000059175 [1,1,0,0,0,0|1,0,0]=3 8657 B14R1.15 Cc1c(cccc1OC[C@@H](C)CO)F 34a_100011217231_100000059175 [1,1,0,0,0,0|1,0,0]=3 8658 B14R1.15 Cc1c(cccc1OC[C@@H](C)CO)F 7a_100011217231_100000059175 [1,1,0,0,0,0|1,0,0]=3 8659 B14R1.15 Cc1c(cccc1OC[C@@H](C)CO)N 34a_100011216573_100000059175 [1,1,0,0,0,0|1,0,0]=3 8660 B14R1.15 Cc1c(cccc1OC[C@@H](C)CO)N 7a_100011216573_100000059175 [1,1,0,0,0,0|1,0,0]=3 8661 B14R1.15 Cc1c(cccc1OC[C@@H](O)CF)Br 34a_100012002258_100015614560 [1,1,0,0,0,0|1,0,0]=3 8662 B14R1.15 Cc1c(cccc1OC[C@@H](O)CF)Br 7a_100012002258_100015614560 [1,1,0,0,0,0|1,0,0]=3 8663 B14R1.15 Cc1c(cccc1OC[C@@H](O)CF)Cl 34a_100011265684_100015614560 [1,1,0,0,0,0|1,0,0]=3 8664 B14R1.15 Cc1c(cccc1OC[C@@H](O)CF)Cl 7a_100011265684_100015614560 [1,1,0,0,0,0|1,0,0]=3 8665 B14R1.15 Cc1c(cccc1OC[C@@H](O)CF)F 34a_100011217231_100015614560 [1,1,0,0,0,0|1,0,0]=3 8666 B14R1.15 Cc1c(cccc1OC[C@@H](O)CF)F 7a_100011217231_100015614560 [1,1,0,0,0,0|1,0,0]=3 8667 B14R1.15 Cc1c(cccc1OC[C@@H](O)CF)N 34a_100011216573_100015614560 [1,1,0,0,0,0|1,0,0]=3 8668 B14R1.15 Cc1c(cccc1OC[C@@H](O)CF)N 7a_100011216573_100015614560 [1,1,0,0,0,0|1,0,0]=3 8669 B14R1.15 Cc1c(cccc1OC[C@@H](O)CO)Br 34a_100012002258_100009815848 [1,1,0,0,0,0|0,0,0]=2 8670 B14R1.15 Cc1c(cccc1OC[C@@H](O)CO)Br 7a_100012002258_100009815848 [1,1,0,0,0,0|0,0,0]=2 8671 B14R1.15 Cc1c(cccc1OC[C@@H](O)CO)Cl 34a_100011265684_100009815848 [1,1,0,0,0,0|0,0,0]=2 8672 B14R1.15 Cc1c(cccc1OC[C@@H](O)CO)Cl 7a_100011265684_100009815848 [1,1,0,0,0,0|0,0,0]=2 8673 B14R1.15 Cc1c(cccc1OC[C@@H](O)CO)F 34a_100011217231_100009815848 [1,1,0,0,0,0|0,0,0]=2 8674 B14R1.15 Cc1c(cccc1OC[C@@H](O)CO)F 7a_100011217231_100009815848 [1,1,0,0,0,0|0,0,0]=2 8675 B14R1.15 Cc1c(cccc1OC[C@@H](O)CO)N 34a_100011216573_100009815848 [1,1,0,0,0,0|0,0,0]=2 8676 B14R1.15 Cc1c(cccc1OC[C@@H](O)CO)N 7a_100011216573_100009815848 [1,1,0,0,0,0|0,0,0]=2 8677 B14R1.15 Cc1c(cccc1SCC(O)CO)Br 62a_100011219619_100012353703 [1,1,0,0,0,0|0,1,0]=3 8678 B14R1.15 Cc1c(cccc1SCC(O)CO)Br 62a_100012353703_100011219619 [1,1,0,0,0,0|0,1,0]=3 8679 B14R1.15 Cc1c(cccc1SCC(O)CO)Cl 62a_100000726075_100011219619 [1,1,0,0,0,0|0,1,0]=3 8680 B14R1.15 Cc1c(cccc1SCC(O)CO)Cl 62a_100011219619_100000726075 [1,1,0,0,0,0|0,1,0]=3 8681 B14R1.15 Cc1c(cccc1SCC(O)CO)F 62a_100011216893_100011219619 [1,1,0,0,0,0|0,1,0]=3 8682 B14R1.15 Cc1c(cccc1SCC(O)CO)F 62a_100011219619_100011216893 [1,1,0,0,0,0|0,1,0]=3 8683 B14R1.15 Cc1c(cccc1SCC(O)CO)N 62a_100000761887_100011219619 [1,1,0,0,0,0|0,1,0]=3 8684 B14R1.15 Cc1c(cccc1SCC(O)CO)N 62a_100011219619_100000761887 [1,1,0,0,0,0|0,1,0]=3 8685 B14R1.15 Cc1c(cccc1SCC(O)CO)O 62a_100011219619_100012002258 [1,1,0,0,0,0|0,1,0]=3 8686 B14R1.15 Cc1c(cccc1SCC(O)CO)O 62a_100012002258_100011219619 [1,1,0,0,0,0|0,1,0]=3 8687 B14R1.15 Cc1c(cccc1SC[C@@H](C)CO)Br 62a_100000059175_100012353703 [1,1,0,0,0,0|1,1,0]=4 8688 B14R1.15 Cc1c(cccc1SC[C@@H](C)CO)Br 62a_100012353703_100000059175 [1,1,0,0,0,0|1,1,0]=4 8689 B14R1.15 Cc1c(cccc1SC[C@@H](C)CO)Cl 62a_100000059175_100000726075 [1,1,0,0,0,0|1,1,0]=4 8690 B14R1.15 Cc1c(cccc1SC[C@@H](C)CO)Cl 62a_100000726075_100000059175 [1,1,0,0,0,0|1,1,0]=4 8691 B14R1.15 Cc1c(cccc1SC[C@@H](C)CO)F 62a_100000059175_100011216893 [1,1,0,0,0,0|1,1,0]=4 8692 B14R1.15 Cc1c(cccc1SC[C@@H](C)CO)F 62a_100011216893_100000059175 [1,1,0,0,0,0|1,1,0]=4 8693 B14R1.15 Cc1c(cccc1SC[C@@H](C)CO)N 62a_100000059175_100000761887 [1,1,0,0,0,0|1,1,0]=4 8694 B14R1.15 Cc1c(cccc1SC[C@@H](C)CO)N 62a_100000761887_100000059175 [1,1,0,0,0,0|1,1,0]=4 8695 B14R1.15 Cc1c(cccc1SC[C@@H](C)CO)O 62a_100000059175_100012002258 [1,1,0,0,0,0|1,1,0]=4 8696 B14R1.15 Cc1c(cccc1SC[C@@H](C)CO)O 62a_100012002258_100000059175 [1,1,0,0,0,0|1,1,0]=4 8697 B14R1.15 Cc1c(cccc1SC[C@@H](O)CF)Br 62a_100012353703_100015614560 [1,1,0,0,0,0|1,1,0]=4 8698 B14R1.15 Cc1c(cccc1SC[C@@H](O)CF)Br 62a_100015614560_100012353703 [1,1,0,0,0,0|1,1,0]=4 8699 B14R1.15 Cc1c(cccc1SC[C@@H](O)CF)Cl 62a_100000726075_100015614560 [1,1,0,0,0,0|1,1,0]=4 8700 B14R1.15 Cc1c(cccc1SC[C@@H](O)CF)Cl 62a_100015614560_100000726075 [1,1,0,0,0,0|1,1,0]=4 8701 B14R1.15 Cc1c(cccc1SC[C@@H](O)CF)F 62a_100011216893_100015614560 [1,1,0,0,0,0|1,1,0]=4 8702 B14R1.15 Cc1c(cccc1SC[C@@H](O)CF)F 62a_100015614560_100011216893 [1,1,0,0,0,0|1,1,0]=4 8703 B14R1.15 Cc1c(cccc1SC[C@@H](O)CF)N 62a_100000761887_100015614560 [1,1,0,0,0,0|1,1,0]=4 8704 B14R1.15 Cc1c(cccc1SC[C@@H](O)CF)N 62a_100015614560_100000761887 [1,1,0,0,0,0|1,1,0]=4 8705 B14R1.15 Cc1c(cccc1SC[C@@H](O)CF)O 62a_100012002258_100015614560 [1,1,0,0,0,0|1,1,0]=4 8706 B14R1.15 Cc1c(cccc1SC[C@@H](O)CF)O 62a_100015614560_100012002258 [1,1,0,0,0,0|1,1,0]=4 8707 B14R1.15 Cc1c(cccc1SC[C@@H](O)CO)Br 62a_100009815848_100012353703 [1,1,0,0,0,0|0,1,0]=3 8708 B14R1.15 Cc1c(cccc1SC[C@@H](O)CO)Br 62a_100012353703_100009815848 [1,1,0,0,0,0|0,1,0]=3 8709 B14R1.15 Cc1c(cccc1SC[C@@H](O)CO)Cl 62a_100000726075_100009815848 [1,1,0,0,0,0|0,1,0]=3 8710 B14R1.15 Cc1c(cccc1SC[C@@H](O)CO)Cl 62a_100009815848_100000726075 [1,1,0,0,0,0|0,1,0]=3 8711 B14R1.15 Cc1c(cccc1SC[C@@H](O)CO)F 62a_100009815848_100011216893 [1,1,0,0,0,0|0,1,0]=3 8712 B14R1.15 Cc1c(cccc1SC[C@@H](O)CO)F 62a_100011216893_100009815848 [1,1,0,0,0,0|0,1,0]=3 8713 B14R1.15 Cc1c(cccc1SC[C@@H](O)CO)N 62a_100000761887_100009815848 [1,1,0,0,0,0|0,1,0]=3 8714 B14R1.15 Cc1c(cccc1SC[C@@H](O)CO)N 62a_100009815848_100000761887 [1,1,0,0,0,0|0,1,0]=3 8715 B14R1.15 Cc1c(cccc1SC[C@@H](O)CO)O 62a_100009815848_100012002258 [1,1,0,0,0,0|0,1,0]=3 8716 B14R1.15 Cc1c(cccc1SC[C@@H](O)CO)O 62a_100012002258_100009815848 [1,1,0,0,0,0|0,1,0]=3 8717 B14R1.15 Cc1c(ccnc1Cl)SCC(O)CO 62a_100000047055_100011219619 [1,1,0,0,0,0|1,1,0]=4 8718 B14R1.15 Cc1c(ccnc1Cl)SCC(O)CO 62a_100011219619_100000047055 [1,1,0,0,0,0|1,1,0]=4 8719 B14R1.15 Cc1c(ccnc1Cl)SC[C@@H](O)CO 62a_100000047055_100009815848 [1,1,0,0,0,0|1,1,0]=4 8720 B14R1.15 Cc1c(ccnc1Cl)SC[C@@H](O)CO 62a_100009815848_100000047055 [1,1,0,0,0,0|1,1,0]=4 8721 B14R1.15 Cc1c(ccnc1F)NC[C@H](O)CO 27a_100020644852_100010006593 [1,1,0,0,0,0|2,0,0]=4 8722 B14R1.15 Cc1c(ccnc1F)SCC(O)CO 62a_100010006593_100011219619 [1,1,0,0,0,0|1,1,0]=4 8723 B14R1.15 Cc1c(ccnc1F)SCC(O)CO 62a_100011219619_100010006593 [1,1,0,0,0,0|1,1,0]=4 8724 B14R1.15 Cc1c(ccnc1F)SC[C@@H](O)CO 62a_100009815848_100010006593 [1,1,0,0,0,0|1,1,0]=4 8725 B14R1.15 Cc1c(ccnc1F)SC[C@@H](O)CO 62a_100010006593_100009815848 [1,1,0,0,0,0|1,1,0]=4 8726 B14R1.15 Cc1c(ccnc1N)SCC(O)CO 62a_100009865460_100011219619 [1,1,0,0,0,0|1,1,0]=4 8727 B14R1.15 Cc1c(ccnc1N)SCC(O)CO 62a_100011219619_100009865460 [1,1,0,0,0,0|1,1,0]=4 8728 B14R1.15 Cc1c(ccnc1N)SC[C@@H](O)CO 62a_100009815848_100009865460 [1,1,0,0,0,0|1,1,0]=4 8729 B14R1.15 Cc1c(ccnc1N)SC[C@@H](O)CO 62a_100009865460_100009815848 [1,1,0,0,0,0|1,1,0]=4 8730 B14R1.15 Cc1c(ccnc1NC[C@H](O)CO)F 27a_100020644852_100009846374 [1,1,0,0,0,0|2,0,0]=4 8731 B14R1.15 Cc1c(ccnc1O)SCC(O)CO 62a_100009858498_100011219619 [1,1,0,0,0,0|1,1,0]=4 8732 B14R1.15 Cc1c(ccnc1O)SCC(O)CO 62a_100011219619_100009858498 [1,1,0,0,0,0|1,1,0]=4 8733 B14R1.15 Cc1c(ccnc1O)SC[C@@H](O)CO 62a_100009815848_100009858498 [1,1,0,0,0,0|1,1,0]=4 8734 B14R1.15 Cc1c(ccnc1O)SC[C@@H](O)CO 62a_100009858498_100009815848 [1,1,0,0,0,0|1,1,0]=4 8735 B14R1.15 Cc1c(ccnc1OCC(O)CO)Br 34a_100009858498_100011219619 [1,1,0,0,0,0|1,0,0]=3 8736 B14R1.15 Cc1c(ccnc1OC[C@@H](C)CO)Br 34a_100009858498_100000059175 [1,1,0,0,0,0|2,0,0]=4 8737 B14R1.15 Cc1c(ccnc1OC[C@@H](O)CF)Br 34a_100009858498_100015614560 [1,1,0,0,0,0|2,0,0]=4 8738 B14R1.15 Cc1c(ccnc1OC[C@@H](O)CO)Br 34a_100009858498_100009815848 [1,1,0,0,0,0|1,0,0]=3 8739 B14R1.15 Cc1c(ccnc1SCC(O)CO)F 62a_100009846374_100011219619 [1,1,0,0,0,0|1,1,0]=4 8740 B14R1.15 Cc1c(ccnc1SCC(O)CO)F 62a_100011219619_100009846374 [1,1,0,0,0,0|1,1,0]=4 8741 B14R1.15 Cc1c(ccnc1SCC(O)CO)N 62a_100000690622_100011219619 [1,1,0,0,0,0|1,1,0]=4 8742 B14R1.15 Cc1c(ccnc1SCC(O)CO)N 62a_100011219619_100000690622 [1,1,0,0,0,0|1,1,0]=4 8743 B14R1.15 Cc1c(ccnc1SC[C@@H](O)CO)F 62a_100009815848_100009846374 [1,1,0,0,0,0|1,1,0]=4 8744 B14R1.15 Cc1c(ccnc1SC[C@@H](O)CO)F 62a_100009846374_100009815848 [1,1,0,0,0,0|1,1,0]=4 8745 B14R1.15 Cc1c(ccnc1SC[C@@H](O)CO)N 62a_100000690622_100009815848 [1,1,0,0,0,0|1,1,0]=4 8746 B14R1.15 Cc1c(ccnc1SC[C@@H](O)CO)N 62a_100009815848_100000690622 [1,1,0,0,0,0|1,1,0]=4 8747 B14R1.15 Cc1c(cncc1SCC(O)CO)Br 62a_100010109657_100011219619 [1,1,0,0,0,0|1,1,0]=4 8748 B14R1.15 Cc1c(cncc1SCC(O)CO)Br 62a_100011219619_100010109657 [1,1,0,0,0,0|1,1,0]=4 8749 B14R1.15 Cc1c(cncc1SCC(O)CO)F 62a_100009881546_100011219619 [1,1,0,0,0,0|1,1,0]=4 8750 B14R1.15 Cc1c(cncc1SCC(O)CO)F 62a_100011219619_100009881546 [1,1,0,0,0,0|1,1,0]=4 8751 B14R1.15 Cc1c(cncc1SCC(O)CO)N 62a_100011219619_100011998293 [1,1,0,0,0,0|1,1,0]=4 8752 B14R1.15 Cc1c(cncc1SCC(O)CO)N 62a_100011998293_100011219619 [1,1,0,0,0,0|1,1,0]=4 8753 B14R1.15 Cc1c(cncc1SC[C@@H](O)CO)Br 62a_100009815848_100010109657 [1,1,0,0,0,0|1,1,0]=4 8754 B14R1.15 Cc1c(cncc1SC[C@@H](O)CO)Br 62a_100010109657_100009815848 [1,1,0,0,0,0|1,1,0]=4 8755 B14R1.15 Cc1c(cncc1SC[C@@H](O)CO)F 62a_100009815848_100009881546 [1,1,0,0,0,0|1,1,0]=4 8756 B14R1.15 Cc1c(cncc1SC[C@@H](O)CO)F 62a_100009881546_100009815848 [1,1,0,0,0,0|1,1,0]=4 8757 B14R1.15 Cc1c(cncc1SC[C@@H](O)CO)N 62a_100009815848_100011998293 [1,1,0,0,0,0|1,1,0]=4 8758 B14R1.15 Cc1c(cncc1SC[C@@H](O)CO)N 62a_100011998293_100009815848 [1,1,0,0,0,0|1,1,0]=4 8759 B14R1.15 Cc1c(ncnc1OCC(O)CO)Cl 34a_100011912821_100011219619 [1,1,0,0,0,0|2,0,0]=4 8760 B14R1.15 Cc1c(ncnc1OC[C@@H](O)CO)Cl 34a_100011912821_100009815848 [1,1,0,0,0,0|2,0,0]=4 8761 B14R1.15 Cc1cccc(c1Br)NCC(O)CO 34a_100000684715_100011219619 [1,1,0,0,0,0|2,0,0]=4 8762 B14R1.15 Cc1cccc(c1Br)NC[C@@H](O)CO 34a_100000684715_100009815848 [1,1,0,0,0,0|2,0,0]=4 8763 B14R1.15 Cc1cccc(c1Br)OCC(O)CO 34a_100000686692_100011219619 [1,1,0,0,0,0|1,0,0]=3 8764 B14R1.15 Cc1cccc(c1Br)OCC(O)CO 7a_100000686692_100011219619 [1,1,0,0,0,0|1,0,0]=3 8765 B14R1.15 Cc1cccc(c1Br)OC[C@@H](C)CO 34a_100000686692_100000059175 [1,1,0,0,0,0|2,0,0]=4 8766 B14R1.15 Cc1cccc(c1Br)OC[C@@H](C)CO 7a_100000686692_100000059175 [1,1,0,0,0,0|2,0,0]=4 8767 B14R1.15 Cc1cccc(c1Br)OC[C@@H](O)CF 34a_100000686692_100015614560 [1,1,0,0,0,0|2,0,0]=4 8768 B14R1.15 Cc1cccc(c1Br)OC[C@@H](O)CF 7a_100000686692_100015614560 [1,1,0,0,0,0|2,0,0]=4 8769 B14R1.15 Cc1cccc(c1Br)OC[C@@H](O)CO 34a_100000686692_100009815848 [1,1,0,0,0,0|1,0,0]=3 8770 B14R1.15 Cc1cccc(c1Br)OC[C@@H](O)CO 7a_100000686692_100009815848 [1,1,0,0,0,0|1,0,0]=3 8771 B14R1.15 Cc1cccc(c1Br)SCC(O)CO 62a_100011219619_100012362457 [1,1,0,0,0,0|1,1,0]=4 8772 B14R1.15 Cc1cccc(c1Br)SCC(O)CO 62a_100012362457_100011219619 [1,1,0,0,0,0|1,1,0]=4 8773 B14R1.15 Cc1cccc(c1Br)SC[C@@H](O)CO 62a_100009815848_100012362457 [1,1,0,0,0,0|1,1,0]=4 8774 B14R1.15 Cc1cccc(c1Br)SC[C@@H](O)CO 62a_100012362457_100009815848 [1,1,0,0,0,0|1,1,0]=4 8775 B14R1.15 Cc1cccc(c1C)NCC(O)CO 2230a_100000210026_100011219619 [1,1,0,0,0,0|1,0,0]=3 8776 B14R1.15 Cc1cccc(c1C)NCC(O)CO 34a_100000210026_100011219619 [1,1,0,0,0,0|1,0,0]=3 8777 B14R1.15 Cc1cccc(c1C)NCC(O)CO 7a_100000210026_100011219619 [1,1,0,0,0,0|1,0,0]=3 8778 B14R1.15 Cc1cccc(c1C)NC[C@@H](C)CO 2230a_100000210026_100000059175 [1,1,0,0,0,0|2,0,0]=4 8779 B14R1.15 Cc1cccc(c1C)NC[C@@H](C)CO 34a_100000210026_100000059175 [1,1,0,0,0,0|2,0,0]=4 8780 B14R1.15 Cc1cccc(c1C)NC[C@@H](C)CO 7a_100000210026_100000059175 [1,1,0,0,0,0|2,0,0]=4 8781 B14R1.15 Cc1cccc(c1C)NC[C@@H](O)CF 2230a_100000210026_100015614560 [1,1,0,0,0,0|2,0,0]=4 8782 B14R1.15 Cc1cccc(c1C)NC[C@@H](O)CF 34a_100000210026_100015614560 [1,1,0,0,0,0|2,0,0]=4 8783 B14R1.15 Cc1cccc(c1C)NC[C@@H](O)CF 7a_100000210026_100015614560 [1,1,0,0,0,0|2,0,0]=4 8784 B14R1.15 Cc1cccc(c1C)NC[C@@H](O)CO 2230a_100000210026_100009815848 [1,1,0,0,0,0|1,0,0]=3 8785 B14R1.15 Cc1cccc(c1C)NC[C@@H](O)CO 34a_100000210026_100009815848 [1,1,0,0,0,0|1,0,0]=3 8786 B14R1.15 Cc1cccc(c1C)NC[C@@H](O)CO 7a_100000210026_100009815848 [1,1,0,0,0,0|1,0,0]=3 8787 B14R1.15 Cc1cccc(c1C)OCC(O)CO 34a_100000185855_100011219619 [1,1,0,0,0,0|0,0,0]=2 8788 B14R1.15 Cc1cccc(c1C)OCC(O)CO 7a_100000185855_100011219619 [1,1,0,0,0,0|0,0,0]=2 8789 B14R1.15 Cc1cccc(c1C)OC[C@@H](C)CO 34a_100000185855_100000059175 [1,1,0,0,0,0|1,0,0]=3 8790 B14R1.15 Cc1cccc(c1C)OC[C@@H](C)CO 7a_100000185855_100000059175 [1,1,0,0,0,0|1,0,0]=3 8791 B14R1.15 Cc1cccc(c1C)OC[C@@H](O)CF 34a_100000185855_100015614560 [1,1,0,0,0,0|1,0,0]=3 8792 B14R1.15 Cc1cccc(c1C)OC[C@@H](O)CF 7a_100000185855_100015614560 [1,1,0,0,0,0|1,0,0]=3 8793 B14R1.15 Cc1cccc(c1C)OC[C@@H](O)CO 34a_100000185855_100009815848 [1,1,0,0,0,0|0,0,0]=2 8794 B14R1.15 Cc1cccc(c1C)OC[C@@H](O)CO 7a_100000185855_100009815848 [1,1,0,0,0,0|0,0,0]=2 8795 B14R1.15 Cc1cccc(c1C)SCC(O)CO 62a_100011214922_100011219619 [1,1,0,0,0,0|0,1,0]=3 8796 B14R1.15 Cc1cccc(c1C)SCC(O)CO 62a_100011219619_100011214922 [1,1,0,0,0,0|0,1,0]=3 8797 B14R1.15 Cc1cccc(c1C)SC[C@@H](C)CO 62a_100000059175_100011214922 [1,1,0,0,0,0|1,1,0]=4 8798 B14R1.15 Cc1cccc(c1C)SC[C@@H](C)CO 62a_100011214922_100000059175 [1,1,0,0,0,0|1,1,0]=4 8799 B14R1.15 Cc1cccc(c1C)SC[C@@H](O)CF 62a_100011214922_100015614560 [1,1,0,0,0,0|1,1,0]=4 8800 B14R1.15 Cc1cccc(c1C)SC[C@@H](O)CF 62a_100015614560_100011214922 [1,1,0,0,0,0|1,1,0]=4 8801 B14R1.15 Cc1cccc(c1C)SC[C@@H](O)CO 62a_100009815848_100011214922 [1,1,0,0,0,0|0,1,0]=3 8802 B14R1.15 Cc1cccc(c1C)SC[C@@H](O)CO 62a_100011214922_100009815848 [1,1,0,0,0,0|0,1,0]=3 8803 B14R1.15 Cc1cccc(c1Cl)NCC(O)CO 34a_100000765562_100011219619 [1,1,0,0,0,0|2,0,0]=4 8804 B14R1.15 Cc1cccc(c1Cl)NCC(O)CO 7a_100000765562_100011219619 [1,1,0,0,0,0|2,0,0]=4 8805 B14R1.15 Cc1cccc(c1Cl)NC[C@@H](O)CO 34a_100000765562_100009815848 [1,1,0,0,0,0|2,0,0]=4 8806 B14R1.15 Cc1cccc(c1Cl)NC[C@@H](O)CO 7a_100000765562_100009815848 [1,1,0,0,0,0|2,0,0]=4 8807 B14R1.15 Cc1cccc(c1Cl)OCC(O)CO 34a_100000695629_100011219619 [1,1,0,0,0,0|1,0,0]=3 8808 B14R1.15 Cc1cccc(c1Cl)OCC(O)CO 7a_100000695629_100011219619 [1,1,0,0,0,0|1,0,0]=3 8809 B14R1.15 Cc1cccc(c1Cl)OC[C@@H](C)CO 34a_100000695629_100000059175 [1,1,0,0,0,0|2,0,0]=4 8810 B14R1.15 Cc1cccc(c1Cl)OC[C@@H](C)CO 7a_100000695629_100000059175 [1,1,0,0,0,0|2,0,0]=4 8811 B14R1.15 Cc1cccc(c1Cl)OC[C@@H](O)CF 34a_100000695629_100015614560 [1,1,0,0,0,0|2,0,0]=4 8812 B14R1.15 Cc1cccc(c1Cl)OC[C@@H](O)CF 7a_100000695629_100015614560 [1,1,0,0,0,0|2,0,0]=4 8813 B14R1.15 Cc1cccc(c1Cl)OC[C@@H](O)CO 34a_100000695629_100009815848 [1,1,0,0,0,0|1,0,0]=3 8814 B14R1.15 Cc1cccc(c1Cl)OC[C@@H](O)CO 7a_100000695629_100009815848 [1,1,0,0,0,0|1,0,0]=3 8815 B14R1.15 Cc1cccc(c1Cl)SCC(O)CO 62a_100011219619_200012352035 [1,1,0,0,0,0|1,1,0]=4 8816 B14R1.15 Cc1cccc(c1Cl)SCC(O)CO 62a_200012352035_100011219619 [1,1,0,0,0,0|1,1,0]=4 8817 B14R1.15 Cc1cccc(c1Cl)SC[C@@H](O)CO 62a_100009815848_200012352035 [1,1,0,0,0,0|1,1,0]=4 8818 B14R1.15 Cc1cccc(c1Cl)SC[C@@H](O)CO 62a_200012352035_100009815848 [1,1,0,0,0,0|1,1,0]=4 8819 B14R1.15 Cc1cccc(c1F)NCC(O)CO 2230a_100000697159_100011219619 [1,1,0,0,0,0|2,0,0]=4 8820 B14R1.15 Cc1cccc(c1F)NCC(O)CO 34a_100000697159_100011219619 [1,1,0,0,0,0|2,0,0]=4 8821 B14R1.15 Cc1cccc(c1F)NCC(O)CO 7a_100000697159_100011219619 [1,1,0,0,0,0|2,0,0]=4 8822 B14R1.15 Cc1cccc(c1F)NC[C@@H](O)CO 2230a_100000697159_100009815848 [1,1,0,0,0,0|2,0,0]=4 8823 B14R1.15 Cc1cccc(c1F)NC[C@@H](O)CO 34a_100000697159_100009815848 [1,1,0,0,0,0|2,0,0]=4 8824 B14R1.15 Cc1cccc(c1F)NC[C@@H](O)CO 7a_100000697159_100009815848 [1,1,0,0,0,0|2,0,0]=4 8825 B14R1.15 Cc1cccc(c1F)OCC(O)CO 34a_100000751311_100011219619 [1,1,0,0,0,0|1,0,0]=3 8826 B14R1.15 Cc1cccc(c1F)OCC(O)CO 7a_100000751311_100011219619 [1,1,0,0,0,0|1,0,0]=3 8827 B14R1.15 Cc1cccc(c1F)OC[C@@H](C)CO 34a_100000751311_100000059175 [1,1,0,0,0,0|2,0,0]=4 8828 B14R1.15 Cc1cccc(c1F)OC[C@@H](C)CO 7a_100000751311_100000059175 [1,1,0,0,0,0|2,0,0]=4 8829 B14R1.15 Cc1cccc(c1F)OC[C@@H](O)CF 34a_100000751311_100015614560 [1,1,0,0,0,0|2,0,0]=4 8830 B14R1.15 Cc1cccc(c1F)OC[C@@H](O)CF 7a_100000751311_100015614560 [1,1,0,0,0,0|2,0,0]=4 8831 B14R1.15 Cc1cccc(c1F)OC[C@@H](O)CO 34a_100000751311_100009815848 [1,1,0,0,0,0|1,0,0]=3 8832 B14R1.15 Cc1cccc(c1F)OC[C@@H](O)CO 7a_100000751311_100009815848 [1,1,0,0,0,0|1,0,0]=3 8833 B14R1.15 Cc1cccc(c1F)SCC(O)CO 62a_100000717567_100011219619 [1,1,0,0,0,0|1,1,0]=4 8834 B14R1.15 Cc1cccc(c1F)SCC(O)CO 62a_100011219619_100000717567 [1,1,0,0,0,0|1,1,0]=4 8835 B14R1.15 Cc1cccc(c1F)SC[C@@H](O)CO 62a_100000717567_100009815848 [1,1,0,0,0,0|1,1,0]=4 8836 B14R1.15 Cc1cccc(c1F)SC[C@@H](O)CO 62a_100009815848_100000717567 [1,1,0,0,0,0|1,1,0]=4 8837 B14R1.15 Cc1cccc(c1I)NCC(O)CO 34a_100000761888_100011219619 [1,1,0,0,0,0|2,0,0]=4 8838 B14R1.15 Cc1cccc(c1I)NC[C@@H](O)CO 34a_100000761888_100009815848 [1,1,0,0,0,0|2,0,0]=4 8839 B14R1.15 Cc1cccc(c1I)OCC(O)CO 34a_100010083724_100011219619 [1,1,0,0,0,0|1,0,0]=3 8840 B14R1.15 Cc1cccc(c1I)OCC(O)CO 7a_100010083724_100011219619 [1,1,0,0,0,0|1,0,0]=3 8841 B14R1.15 Cc1cccc(c1I)OC[C@@H](C)CO 34a_100010083724_100000059175 [1,1,0,0,0,0|2,0,0]=4 8842 B14R1.15 Cc1cccc(c1I)OC[C@@H](C)CO 7a_100010083724_100000059175 [1,1,0,0,0,0|2,0,0]=4 8843 B14R1.15 Cc1cccc(c1I)OC[C@@H](O)CF 34a_100010083724_100015614560 [1,1,0,0,0,0|2,0,0]=4 8844 B14R1.15 Cc1cccc(c1I)OC[C@@H](O)CF 7a_100010083724_100015614560 [1,1,0,0,0,0|2,0,0]=4 8845 B14R1.15 Cc1cccc(c1I)OC[C@@H](O)CO 34a_100010083724_100009815848 [1,1,0,0,0,0|1,0,0]=3 8846 B14R1.15 Cc1cccc(c1I)OC[C@@H](O)CO 7a_100010083724_100009815848 [1,1,0,0,0,0|1,0,0]=3 8847 B14R1.15 Cc1cccc(c1N)OCC(O)CO 34a_100000743429_100011219619 [1,1,0,0,0,0|1,0,0]=3 8848 B14R1.15 Cc1cccc(c1N)OCC(O)CO 7a_100000743429_100011219619 [1,1,0,0,0,0|1,0,0]=3 8849 B14R1.15 Cc1cccc(c1N)OC[C@@H](C)CO 34a_100000743429_100000059175 [1,1,0,0,0,0|2,0,0]=4 8850 B14R1.15 Cc1cccc(c1N)OC[C@@H](C)CO 7a_100000743429_100000059175 [1,1,0,0,0,0|2,0,0]=4 8851 B14R1.15 Cc1cccc(c1N)OC[C@@H](O)CF 34a_100000743429_100015614560 [1,1,0,0,0,0|2,0,0]=4 8852 B14R1.15 Cc1cccc(c1N)OC[C@@H](O)CF 7a_100000743429_100015614560 [1,1,0,0,0,0|2,0,0]=4 8853 B14R1.15 Cc1cccc(c1N)OC[C@@H](O)CO 34a_100000743429_100009815848 [1,1,0,0,0,0|1,0,0]=3 8854 B14R1.15 Cc1cccc(c1N)OC[C@@H](O)CO 7a_100000743429_100009815848 [1,1,0,0,0,0|1,0,0]=3 8855 B14R1.15 Cc1cccc(c1N)SCC(O)CO 62a_100011219619_100011834072 [1,1,0,0,0,0|1,1,0]=4 8856 B14R1.15 Cc1cccc(c1N)SCC(O)CO 62a_100011834072_100011219619 [1,1,0,0,0,0|1,1,0]=4 8857 B14R1.15 Cc1cccc(c1N)SC[C@@H](O)CO 62a_100009815848_100011834072 [1,1,0,0,0,0|1,1,0]=4 8858 B14R1.15 Cc1cccc(c1N)SC[C@@H](O)CO 62a_100011834072_100009815848 [1,1,0,0,0,0|1,1,0]=4 8859 B14R1.15 Cc1cccc(c1O)NCC(O)CO 34a_100000756359_100011219619 [1,1,0,0,0,0|1,0,0]=3 8860 B14R1.15 Cc1cccc(c1O)NC[C@@H](C)CO 34a_100000756359_100000059175 [1,1,0,0,0,0|2,0,0]=4 8861 B14R1.15 Cc1cccc(c1O)NC[C@@H](O)CF 34a_100000756359_100015614560 [1,1,0,0,0,0|2,0,0]=4 8862 B14R1.15 Cc1cccc(c1O)NC[C@@H](O)CO 34a_100000756359_100009815848 [1,1,0,0,0,0|1,0,0]=3 8863 B14R1.15 Cc1cccc(c1O)SCC(O)CO 62a_100009817157_100011219619 [1,1,0,0,0,0|0,1,0]=3 8864 B14R1.15 Cc1cccc(c1O)SCC(O)CO 62a_100011219619_100009817157 [1,1,0,0,0,0|0,1,0]=3 8865 B14R1.15 Cc1cccc(c1O)SC[C@@H](C)CO 62a_100000059175_100009817157 [1,1,0,0,0,0|1,1,0]=4 8866 B14R1.15 Cc1cccc(c1O)SC[C@@H](C)CO 62a_100009817157_100000059175 [1,1,0,0,0,0|1,1,0]=4 8867 B14R1.15 Cc1cccc(c1O)SC[C@@H](O)CF 62a_100009817157_100015614560 [1,1,0,0,0,0|1,1,0]=4 8868 B14R1.15 Cc1cccc(c1O)SC[C@@H](O)CF 62a_100015614560_100009817157 [1,1,0,0,0,0|1,1,0]=4 8869 B14R1.15 Cc1cccc(c1O)SC[C@@H](O)CO 62a_100009815848_100009817157 [1,1,0,0,0,0|0,1,0]=3 8870 B14R1.15 Cc1cccc(c1O)SC[C@@H](O)CO 62a_100009817157_100009815848 [1,1,0,0,0,0|0,1,0]=3 8871 B14R1.15 Cc1ccnc(c1Br)OCC(O)CO 34a_100012000493_100011219619 [1,1,0,0,0,0|2,0,0]=4 8872 B14R1.15 Cc1ccnc(c1Br)OC[C@@H](O)CO 34a_100012000493_100009815848 [1,1,0,0,0,0|2,0,0]=4 8873 B14R1.15 Cc1ccnc(c1C)SCC(O)CO 62a_100009847204_100011219619 [1,1,0,0,0,0|1,1,0]=4 8874 B14R1.15 Cc1ccnc(c1C)SCC(O)CO 62a_100011219619_100009847204 [1,1,0,0,0,0|1,1,0]=4 8875 B14R1.15 Cc1ccnc(c1C)SC[C@@H](O)CO 62a_100009815848_100009847204 [1,1,0,0,0,0|1,1,0]=4 8876 B14R1.15 Cc1ccnc(c1C)SC[C@@H](O)CO 62a_100009847204_100009815848 [1,1,0,0,0,0|1,1,0]=4 8877 B14R1.15 Cc1ccnc(c1O)SCC(O)CO 62a_100011219619_100000696282 [1,1,0,0,0,0|1,1,0]=4 8878 B14R1.15 Cc1ccnc(c1O)SC[C@@H](O)CO 62a_100009815848_100000696282 [1,1,0,0,0,0|1,1,0]=4 8879 B14R1.15 Cc1cncc(c1C)SCC(O)CO 62a_100009864703_100011219619 [1,1,0,0,0,0|1,1,0]=4 8880 B14R1.15 Cc1cncc(c1C)SCC(O)CO 62a_100011219619_100009864703 [1,1,0,0,0,0|1,1,0]=4 8881 B14R1.15 Cc1cncc(c1C)SC[C@@H](O)CO 62a_100009815848_100009864703 [1,1,0,0,0,0|1,1,0]=4 8882 B14R1.15 Cc1cncc(c1C)SC[C@@H](O)CO 62a_100009864703_100009815848 [1,1,0,0,0,0|1,1,0]=4 8883 B14R1.15 Cc1nccc(c1C)SCC(O)CO 62a_100009846815_100011219619 [1,1,0,0,0,0|1,1,0]=4 8884 B14R1.15 Cc1nccc(c1C)SCC(O)CO 62a_100011219619_100009846815 [1,1,0,0,0,0|1,1,0]=4 8885 B14R1.15 Cc1nccc(c1C)SC[C@@H](O)CO 62a_100009815848_100009846815 [1,1,0,0,0,0|1,1,0]=4 8886 B14R1.15 Cc1nccc(c1C)SC[C@@H](O)CO 62a_100009846815_100009815848 [1,1,0,0,0,0|1,1,0]=4 8887 B14R1.15 Cc1ncnc(c1C)OCC(O)CO 34a_100000697798_100011219619 [1,1,0,0,0,0|2,0,0]=4 8888 B14R1.15 Cc1ncnc(c1C)OC[C@@H](O)CO 34a_100000697798_100009815848 [1,1,0,0,0,0|2,0,0]=4 8889 B14R1.15 Cn1c(cccc1=O)SCC(O)CO 62a_100000726605_100011219619 [1,1,0,0,0,0|1,1,0]=4 8890 B14R1.15 Cn1c(cccc1=O)SCC(O)CO 62a_100011219619_100000726605 [1,1,0,0,0,0|1,1,0]=4 8891 B14R1.15 Cn1c(cccc1=O)SC[C@@H](O)CO 62a_100000726605_100009815848 [1,1,0,0,0,0|1,1,0]=4 8892 B14R1.15 Cn1c(cccc1=O)SC[C@@H](O)CO 62a_100009815848_100000726605 [1,1,0,0,0,0|1,1,0]=4 8893 B14R1.15 Cn1cccc(c1=O)OCC(O)CO 34a_100000117616_100011219619 [1,1,0,0,0,0|1,0,1]=4 8894 B14R1.15 Cn1cccc(c1=O)OCC(O)CO 7a_100000117616_100011219619 [1,1,0,0,0,0|1,0,1]=4 8895 B14R1.15 Cn1cccc(c1=O)OC[C@@H](O)CO 34a_100000117616_100009815848 [1,1,0,0,0,0|1,0,1]=4 8896 B14R1.15 Cn1cccc(c1=O)OC[C@@H](O)CO 7a_100000117616_100009815848 [1,1,0,0,0,0|1,0,1]=4 8897 B14R1.15 Nc1c(cccc1OCC(O)CO)Br 34a_100011934926_100011219619 [1,1,0,0,0,0|1,0,0]=3 8898 B14R1.15 Nc1c(cccc1OCC(O)CO)Br 7a_100011934926_100011219619 [1,1,0,0,0,0|1,0,0]=3 8899 B14R1.15 Nc1c(cccc1OCC(O)CO)Cl 34a_100012022510_100011219619 [1,1,0,0,0,0|1,0,0]=3 8900 B14R1.15 Nc1c(cccc1OCC(O)CO)Cl 7a_100012022510_100011219619 [1,1,0,0,0,0|1,0,0]=3 8901 B14R1.15 Nc1c(cccc1OCC(O)CO)F 34a_100020591140_100011219619 [1,1,0,0,0,0|1,0,0]=3 8902 B14R1.15 Nc1c(cccc1OCC(O)CO)F 7a_100020591140_100011219619 [1,1,0,0,0,0|1,0,0]=3 8903 B14R1.15 Nc1c(cccc1OCC(O)CO)I 34a_200000049512_100011219619 [1,1,0,0,0,0|1,0,0]=3 8904 B14R1.15 Nc1c(cccc1OCC(O)CO)I 7a_200000049512_100011219619 [1,1,0,0,0,0|1,0,0]=3 8905 B14R1.15 Nc1c(cccc1OC[C@@H](O)CF)Br 34a_100011934926_100015614560 [1,1,0,0,0,0|2,0,0]=4 8906 B14R1.15 Nc1c(cccc1OC[C@@H](O)CF)Br 7a_100011934926_100015614560 [1,1,0,0,0,0|2,0,0]=4 8907 B14R1.15 Nc1c(cccc1OC[C@@H](O)CF)Cl 34a_100012022510_100015614560 [1,1,0,0,0,0|2,0,0]=4 8908 B14R1.15 Nc1c(cccc1OC[C@@H](O)CF)Cl 7a_100012022510_100015614560 [1,1,0,0,0,0|2,0,0]=4 8909 B14R1.15 Nc1c(cccc1OC[C@@H](O)CF)F 34a_100020591140_100015614560 [1,1,0,0,0,0|2,0,0]=4 8910 B14R1.15 Nc1c(cccc1OC[C@@H](O)CF)F 7a_100020591140_100015614560 [1,1,0,0,0,0|2,0,0]=4 8911 B14R1.15 Nc1c(cccc1OC[C@@H](O)CF)I 34a_200000049512_100015614560 [1,1,0,0,0,0|2,0,0]=4 8912 B14R1.15 Nc1c(cccc1OC[C@@H](O)CF)I 7a_200000049512_100015614560 [1,1,0,0,0,0|2,0,0]=4 8913 B14R1.15 Nc1c(cccc1OC[C@@H](O)CO)Br 34a_100011934926_100009815848 [1,1,0,0,0,0|1,0,0]=3 8914 B14R1.15 Nc1c(cccc1OC[C@@H](O)CO)Br 7a_100011934926_100009815848 [1,1,0,0,0,0|1,0,0]=3 8915 B14R1.15 Nc1c(cccc1OC[C@@H](O)CO)Cl 34a_100012022510_100009815848 [1,1,0,0,0,0|1,0,0]=3 8916 B14R1.15 Nc1c(cccc1OC[C@@H](O)CO)Cl 7a_100012022510_100009815848 [1,1,0,0,0,0|1,0,0]=3 8917 B14R1.15 Nc1c(cccc1OC[C@@H](O)CO)F 34a_100020591140_100009815848 [1,1,0,0,0,0|1,0,0]=3 8918 B14R1.15 Nc1c(cccc1OC[C@@H](O)CO)F 7a_100020591140_100009815848 [1,1,0,0,0,0|1,0,0]=3 8919 B14R1.15 Nc1c(cccc1OC[C@@H](O)CO)I 34a_200000049512_100009815848 [1,1,0,0,0,0|1,0,0]=3 8920 B14R1.15 Nc1c(cccc1OC[C@@H](O)CO)I 7a_200000049512_100009815848 [1,1,0,0,0,0|1,0,0]=3 8921 B14R1.15 Nc1c(cccc1SCC(O)CO)Br 62a_100010146558_100011219619 [1,1,0,0,0,0|1,1,0]=4 8922 B14R1.15 Nc1c(cccc1SCC(O)CO)Br 62a_100011219619_100010146558 [1,1,0,0,0,0|1,1,0]=4 8923 B14R1.15 Nc1c(cccc1SCC(O)CO)Cl 62a_100010190421_100011219619 [1,1,0,0,0,0|1,1,0]=4 8924 B14R1.15 Nc1c(cccc1SCC(O)CO)Cl 62a_100011219619_100010190421 [1,1,0,0,0,0|1,1,0]=4 8925 B14R1.15 Nc1c(cccc1SCC(O)CO)F 62a_100000042321_100011219619 [1,1,0,0,0,0|1,1,0]=4 8926 B14R1.15 Nc1c(cccc1SCC(O)CO)F 62a_100011219619_100000042321 [1,1,0,0,0,0|1,1,0]=4 8927 B14R1.15 Nc1c(cccc1SCC(O)CO)O 62a_100011219619_100011934926 [1,1,0,0,0,0|1,1,0]=4 8928 B14R1.15 Nc1c(cccc1SC[C@@H](O)CO)Br 62a_100009815848_100010146558 [1,1,0,0,0,0|1,1,0]=4 8929 B14R1.15 Nc1c(cccc1SC[C@@H](O)CO)Br 62a_100010146558_100009815848 [1,1,0,0,0,0|1,1,0]=4 8930 B14R1.15 Nc1c(cccc1SC[C@@H](O)CO)Cl 62a_100009815848_100010190421 [1,1,0,0,0,0|1,1,0]=4 8931 B14R1.15 Nc1c(cccc1SC[C@@H](O)CO)Cl 62a_100010190421_100009815848 [1,1,0,0,0,0|1,1,0]=4 8932 B14R1.15 Nc1c(cccc1SC[C@@H](O)CO)F 62a_100000042321_100009815848 [1,1,0,0,0,0|1,1,0]=4 8933 B14R1.15 Nc1c(cccc1SC[C@@H](O)CO)F 62a_100009815848_100000042321 [1,1,0,0,0,0|1,1,0]=4 8934 B14R1.15 Nc1c(cccc1SC[C@@H](O)CO)O 62a_100009815848_100011934926 [1,1,0,0,0,0|1,1,0]=4 8935 B14R1.15 Nc1c(ccnc1Cl)OCC(O)CO 34a_100000128729_100011219619 [1,1,0,0,0,0|2,0,0]=4 8936 B14R1.15 Nc1c(ccnc1Cl)OC[C@@H](O)CO 34a_100000128729_100009815848 [1,1,0,0,0,0|2,0,0]=4 8937 B14R1.15 Nc1cccc(c1Br)OCC(O)CO 34a_100012183704_100011219619 [1,1,0,0,0,0|1,0,0]=3 8938 B14R1.15 Nc1cccc(c1Br)OCC(O)CO 7a_100012183704_100011219619 [1,1,0,0,0,0|1,0,0]=3 8939 B14R1.15 Nc1cccc(c1Br)OC[C@@H](O)CF 34a_100012183704_100015614560 [1,1,0,0,0,0|2,0,0]=4 8940 B14R1.15 Nc1cccc(c1Br)OC[C@@H](O)CF 7a_100012183704_100015614560 [1,1,0,0,0,0|2,0,0]=4 8941 B14R1.15 Nc1cccc(c1Br)OC[C@@H](O)CO 34a_100012183704_100009815848 [1,1,0,0,0,0|1,0,0]=3 8942 B14R1.15 Nc1cccc(c1Br)OC[C@@H](O)CO 7a_100012183704_100009815848 [1,1,0,0,0,0|1,0,0]=3 8943 B14R1.15 Nc1cccc(c1Cl)OCC(O)CO 34a_100012002038_100011219619 [1,1,0,0,0,0|1,0,0]=3 8944 B14R1.15 Nc1cccc(c1Cl)OCC(O)CO 7a_100012002038_100011219619 [1,1,0,0,0,0|1,0,0]=3 8945 B14R1.15 Nc1cccc(c1Cl)OC[C@@H](O)CF 34a_100012002038_100015614560 [1,1,0,0,0,0|2,0,0]=4 8946 B14R1.15 Nc1cccc(c1Cl)OC[C@@H](O)CF 7a_100012002038_100015614560 [1,1,0,0,0,0|2,0,0]=4 8947 B14R1.15 Nc1cccc(c1Cl)OC[C@@H](O)CO 34a_100012002038_100009815848 [1,1,0,0,0,0|1,0,0]=3 8948 B14R1.15 Nc1cccc(c1Cl)OC[C@@H](O)CO 7a_100012002038_100009815848 [1,1,0,0,0,0|1,0,0]=3 8949 B14R1.15 Nc1cccc(c1F)SCC(O)CO 62a_100011219619_100011935091 [1,1,0,0,0,0|1,1,0]=4 8950 B14R1.15 Nc1cccc(c1F)SCC(O)CO 62a_100011935091_100011219619 [1,1,0,0,0,0|1,1,0]=4 8951 B14R1.15 Nc1cccc(c1F)SC[C@@H](O)CO 62a_100009815848_100011935091 [1,1,0,0,0,0|1,1,0]=4 8952 B14R1.15 Nc1cccc(c1F)SC[C@@H](O)CO 62a_100011935091_100009815848 [1,1,0,0,0,0|1,1,0]=4 8953 B14R1.15 Nc1cccc(c1N)OCC(O)CO 34a_100000033209_100011219619 [1,1,0,0,0,0|1,0,0]=3 8954 B14R1.15 Nc1cccc(c1N)OC[C@@H](O)CF 34a_100000033209_100015614560 [1,1,0,0,0,0|2,0,0]=4 8955 B14R1.15 Nc1cccc(c1N)OC[C@@H](O)CO 34a_100000033209_100009815848 [1,1,0,0,0,0|1,0,0]=3 8956 B14R1.15 Nc1cccc(c1N)SCC(O)CO 62a_100015191791_100011219619 [1,1,0,0,0,0|1,1,0]=4 8957 B14R1.15 Nc1cccc(c1N)SC[C@@H](O)CO 62a_100015191791_100009815848 [1,1,0,0,0,0|1,1,0]=4 8958 B14R1.15 Nc1cccc(c1O)SCC(O)CO 62a_100011219619_100010084371 [1,1,0,0,0,0|0,1,0]=3 8959 B14R1.15 Nc1cccc(c1O)SCC(O)CO 62a_100011934915_100011219619 [1,1,0,0,0,0|0,1,0]=3 8960 B14R1.15 Nc1cccc(c1O)SC[C@@H](O)CF 62a_100011934915_100015614560 [1,1,0,0,0,0|1,1,0]=4 8961 B14R1.15 Nc1cccc(c1O)SC[C@@H](O)CF 62a_100015614560_100010084371 [1,1,0,0,0,0|1,1,0]=4 8962 B14R1.15 Nc1cccc(c1O)SC[C@@H](O)CO 62a_100009815848_100010084371 [1,1,0,0,0,0|0,1,0]=3 8963 B14R1.15 Nc1cccc(c1O)SC[C@@H](O)CO 62a_100011934915_100009815848 [1,1,0,0,0,0|0,1,0]=3 8964 B14R1.15 Nc1ccnc(c1Cl)OCC(O)CO 34a_200000093555_100011219619 [1,1,0,0,0,0|2,0,0]=4 8965 B14R1.15 Nc1ccnc(c1Cl)OC[C@@H](O)CO 34a_200000093555_100009815848 [1,1,0,0,0,0|2,0,0]=4 8966 B14R1.15 Nc1ccnc(c1O)SCC(O)CO 62a_100011219619_100009844647 [1,1,0,0,0,0|1,1,0]=4 8967 B14R1.15 Nc1ccnc(c1O)SC[C@@H](O)CO 62a_100009815848_100009844647 [1,1,0,0,0,0|1,1,0]=4 8968 B14R1.15 Nc1cncc(c1O)SCC(O)CO 62a_100000694263_100011219619 [1,1,0,0,0,0|1,1,0]=4 8969 B14R1.15 Nc1cncc(c1O)SCC(O)CO 62a_100011219619_100000694263 [1,1,0,0,0,0|1,1,0]=4 8970 B14R1.15 Nc1cncc(c1O)SC[C@@H](O)CO 62a_100000694263_100009815848 [1,1,0,0,0,0|1,1,0]=4 8971 B14R1.15 Nc1cncc(c1O)SC[C@@H](O)CO 62a_100009815848_100000694263 [1,1,0,0,0,0|1,1,0]=4 8972 B14R1.15 OCC(O)CNc1cccc(c1Br)Cl 34a_100000687072_100011219619 [1,1,0,0,0,0|2,0,0]=4 8973 B14R1.15 OCC(O)CNc1cccc(c1Br)F 34a_100011934729_100011219619 [1,1,0,0,0,0|2,0,0]=4 8974 B14R1.15 OCC(O)CNc1cccc(c1Br)O 34a_100012183704_100011219619 [1,1,0,0,0,0|2,0,0]=4 8975 B14R1.15 OCC(O)CNc1cccc(c1Br)O 7a_100012183704_100011219619 [1,1,0,0,0,0|2,0,0]=4 8976 B14R1.15 OCC(O)CNc1cccc(c1Cl)Br 34a_100000687075_100011219619 [1,1,0,0,0,0|2,0,0]=4 8977 B14R1.15 OCC(O)CNc1cccc(c1Cl)Cl 34a_100000185733_100011219619 [1,1,0,0,0,0|2,0,0]=4 8978 B14R1.15 OCC(O)CNc1cccc(c1Cl)F 34a_100000692321_100011219619 [1,1,0,0,0,0|2,0,0]=4 8979 B14R1.15 OCC(O)CNc1cccc(c1Cl)O 34a_100012002038_100011219619 [1,1,0,0,0,0|2,0,0]=4 8980 B14R1.15 OCC(O)CNc1cccc(c1Cl)O 7a_100012002038_100011219619 [1,1,0,0,0,0|2,0,0]=4 8981 B14R1.15 OCC(O)CNc1cccc(c1F)Br 2230a_100011935091_100011219619 [1,1,0,0,0,0|2,0,0]=4 8982 B14R1.15 OCC(O)CNc1cccc(c1F)Br 34a_100011935091_100011219619 [1,1,0,0,0,0|2,0,0]=4 8983 B14R1.15 OCC(O)CNc1cccc(c1F)Cl 2230a_100000199060_100011219619 [1,1,0,0,0,0|2,0,0]=4 8984 B14R1.15 OCC(O)CNc1cccc(c1F)Cl 34a_100000199060_100011219619 [1,1,0,0,0,0|2,0,0]=4 8985 B14R1.15 OCC(O)CNc1cccc(c1F)F 34a_100000743855_100011219619 [1,1,0,0,0,0|2,0,0]=4 8986 B14R1.15 OCC(O)CNc1cccc(c1I)Br 34a_100020590159_100011219619 [1,1,0,0,0,0|2,0,0]=4 8987 B14R1.15 OCC(O)CNc1cccc(c1I)Cl 34a_100000049713_100011219619 [1,1,0,0,0,0|2,0,0]=4 8988 B14R1.15 OCC(O)CNc1cccc(c1I)F 34a_100000690935_100011219619 [1,1,0,0,0,0|2,0,0]=4 8989 B14R1.15 OCC(O)CNc1cccc(c1O)Br 34a_100011934915_100011219619 [1,1,0,0,0,0|1,0,0]=3 8990 B14R1.15 OCC(O)CNc1cccc(c1O)Cl 34a_100000754742_100011219619 [1,1,0,0,0,0|1,0,0]=3 8991 B14R1.15 OCC(O)CNc1cccc(c1O)F 34a_100011934987_100011219619 [1,1,0,0,0,0|1,0,0]=3 8992 B14R1.15 OCC(O)COc1cccc(c1Br)Br 34a_100010187966_100011219619 [1,1,0,0,0,0|1,0,0]=3 8993 B14R1.15 OCC(O)COc1cccc(c1Br)Br 7a_100010187966_100011219619 [1,1,0,0,0,0|1,0,0]=3 8994 B14R1.15 OCC(O)COc1cccc(c1Br)Cl 34a_100012348804_100011219619 [1,1,0,0,0,0|1,0,0]=3 8995 B14R1.15 OCC(O)COc1cccc(c1Br)Cl 7a_100012348804_100011219619 [1,1,0,0,0,0|1,0,0]=3 8996 B14R1.15 OCC(O)COc1cccc(c1Br)F 34a_100009820682_100011219619 [1,1,0,0,0,0|1,0,0]=3 8997 B14R1.15 OCC(O)COc1cccc(c1Br)F 7a_100009820682_100011219619 [1,1,0,0,0,0|1,0,0]=3 8998 B14R1.15 OCC(O)COc1cccc(c1Br)I 34a_100010187914_100011219619 [1,1,0,0,0,0|1,0,0]=3 8999 B14R1.15 OCC(O)COc1cccc(c1Br)I 7a_100010187914_100011219619 [1,1,0,0,0,0|1,0,0]=3 9000 B14R1.15 OCC(O)COc1cccc(c1Cl)Br 34a_100010187913_100011219619 [1,1,0,0,0,0|1,0,0]=3 9001 B14R1.15 OCC(O)COc1cccc(c1Cl)Br 7a_100010187913_100011219619 [1,1,0,0,0,0|1,0,0]=3 9002 B14R1.15 OCC(O)COc1cccc(c1Cl)Cl 34a_100000211076_100011219619 [1,1,0,0,0,0|1,0,0]=3 9003 B14R1.15 OCC(O)COc1cccc(c1Cl)Cl 7a_100000211076_100011219619 [1,1,0,0,0,0|1,0,0]=3 9004 B14R1.15 OCC(O)COc1cccc(c1Cl)F 34a_100000087408_100011219619 [1,1,0,0,0,0|1,0,0]=3 9005 B14R1.15 OCC(O)COc1cccc(c1Cl)F 7a_100000087408_100011219619 [1,1,0,0,0,0|1,0,0]=3 9006 B14R1.15 OCC(O)COc1cccc(c1Cl)I 34a_100000049636_100011219619 [1,1,0,0,0,0|1,0,0]=3 9007 B14R1.15 OCC(O)COc1cccc(c1Cl)I 7a_100000049636_100011219619 [1,1,0,0,0,0|1,0,0]=3 9008 B14R1.15 OCC(O)COc1cccc(c1F)Br 34a_100009817021_100011219619 [1,1,0,0,0,0|1,0,0]=3 9009 B14R1.15 OCC(O)COc1cccc(c1F)Br 7a_100009817021_100011219619 [1,1,0,0,0,0|1,0,0]=3 9010 B14R1.15 OCC(O)COc1cccc(c1F)Cl 34a_100000687438_100011219619 [1,1,0,0,0,0|1,0,0]=3 9011 B14R1.15 OCC(O)COc1cccc(c1F)Cl 7a_100000687438_100011219619 [1,1,0,0,0,0|1,0,0]=3 9012 B14R1.15 OCC(O)COc1cccc(c1F)F 34a_100000751161_100011219619 [1,1,0,0,0,0|1,0,0]=3 9013 B14R1.15 OCC(O)COc1cccc(c1F)F 7a_100000751161_100011219619 [1,1,0,0,0,0|1,0,0]=3 9014 B14R1.15 OCC(O)COc1cccc(c1I)Br 34a_100010187912_100011219619 [1,1,0,0,0,0|1,0,0]=3 9015 B14R1.15 OCC(O)COc1cccc(c1I)Br 7a_100010187912_100011219619 [1,1,0,0,0,0|1,0,0]=3 9016 B14R1.15 OCC(O)COc1cccc(c1I)Cl 34a_100000050174_100011219619 [1,1,0,0,0,0|1,0,0]=3 9017 B14R1.15 OCC(O)COc1cccc(c1I)Cl 7a_100000050174_100011219619 [1,1,0,0,0,0|1,0,0]=3 9018 B14R1.15 OCC(O)COc1cccc(c1I)F 34a_100000690913_100011219619 [1,1,0,0,0,0|1,0,0]=3 9019 B14R1.15 OCC(O)COc1cccc(c1I)F 7a_100000690913_100011219619 [1,1,0,0,0,0|1,0,0]=3 9020 B14R1.15 OCC(O)COc1ccnc(c1Br)Cl 34a_100010136240_100011219619 [1,1,0,0,0,0|2,0,0]=4 9021 B14R1.15 OCC(O)COc1ccnc(c1Cl)Cl 34a_100009860235_100011219619 [1,1,0,0,0,0|2,0,0]=4 9022 B14R1.15 OCC(O)COc1ccnc(c1F)Br 34a_100009876375_100011219619 [1,1,0,0,0,0|2,0,0]=4 9023 B14R1.15 OCC(O)COc1ccnc(c1F)Cl 34a_100009856406_100011219619 [1,1,0,0,0,0|2,0,0]=4 9024 B14R1.15 OCC(O)CSc1cccc(c1Br)Br 62a_100010175083_100011219619 [1,1,0,0,0,0|1,1,0]=4 9025 B14R1.15 OCC(O)CSc1cccc(c1Br)Br 62a_100011219619_100010175083 [1,1,0,0,0,0|1,1,0]=4 9026 B14R1.15 OCC(O)CSc1cccc(c1Br)Cl 62a_100011219619_100014021842 [1,1,0,0,0,0|1,1,0]=4 9027 B14R1.15 OCC(O)CSc1cccc(c1Br)Cl 62a_100014021842_100011219619 [1,1,0,0,0,0|1,1,0]=4 9028 B14R1.15 OCC(O)CSc1cccc(c1Br)F 62a_100010202630_100011219619 [1,1,0,0,0,0|1,1,0]=4 9029 B14R1.15 OCC(O)CSc1cccc(c1Br)F 62a_100011219619_100010202630 [1,1,0,0,0,0|1,1,0]=4 9030 B14R1.15 OCC(O)CSc1cccc(c1Br)O 62a_100010187914_100011219619 [1,1,0,0,0,0|1,1,0]=4 9031 B14R1.15 OCC(O)CSc1cccc(c1Br)O 62a_100011219619_100010187914 [1,1,0,0,0,0|1,1,0]=4 9032 B14R1.15 OCC(O)CSc1cccc(c1Cl)Br 62a_100010142854_100011219619 [1,1,0,0,0,0|1,1,0]=4 9033 B14R1.15 OCC(O)CSc1cccc(c1Cl)Br 62a_100011219619_100010142854 [1,1,0,0,0,0|1,1,0]=4 9034 B14R1.15 OCC(O)CSc1cccc(c1Cl)Cl 62a_100011215384_100011219619 [1,1,0,0,0,0|1,1,0]=4 9035 B14R1.15 OCC(O)CSc1cccc(c1Cl)Cl 62a_100011219619_100011215384 [1,1,0,0,0,0|1,1,0]=4 9036 B14R1.15 OCC(O)CSc1cccc(c1Cl)F 62a_100011219619_200010234923 [1,1,0,0,0,0|1,1,0]=4 9037 B14R1.15 OCC(O)CSc1cccc(c1Cl)F 62a_200010234923_100011219619 [1,1,0,0,0,0|1,1,0]=4 9038 B14R1.15 OCC(O)CSc1cccc(c1Cl)O 62a_100011219619_100000049636 [1,1,0,0,0,0|1,1,0]=4 9039 B14R1.15 OCC(O)CSc1cccc(c1F)Br 62a_100000702267_100011219619 [1,1,0,0,0,0|1,1,0]=4 9040 B14R1.15 OCC(O)CSc1cccc(c1F)Br 62a_100011219619_100000702267 [1,1,0,0,0,0|1,1,0]=4 9041 B14R1.15 OCC(O)CSc1cccc(c1F)Cl 62a_100011217346_100011219619 [1,1,0,0,0,0|1,1,0]=4 9042 B14R1.15 OCC(O)CSc1cccc(c1F)Cl 62a_100011219619_100011217346 [1,1,0,0,0,0|1,1,0]=4 9043 B14R1.15 OCC(O)CSc1cccc(c1F)F 62a_100000694657_100011219619 [1,1,0,0,0,0|1,1,0]=4 9044 B14R1.15 OCC(O)CSc1cccc(c1F)F 62a_100011219619_100000694657 [1,1,0,0,0,0|1,1,0]=4 9045 B14R1.15 OCC(O)CSc1cccc(c1F)O 62a_100009817021_100011219619 [1,1,0,0,0,0|1,1,0]=4 9046 B14R1.15 OCC(O)CSc1cccc(c1F)O 62a_100011219619_100009817021 [1,1,0,0,0,0|1,1,0]=4 9047 B14R1.15 OCC(O)CSc1cccc(c1O)Br 62a_100010084509_100011219619 [1,1,0,0,0,0|0,1,0]=3 9048 B14R1.15 OCC(O)CSc1cccc(c1O)Br 62a_100011219619_100010084509 [1,1,0,0,0,0|0,1,0]=3 9049 B14R1.15 OCC(O)CSc1cccc(c1O)Cl 62a_100010202889_100011219619 [1,1,0,0,0,0|0,1,0]=3 9050 B14R1.15 OCC(O)CSc1cccc(c1O)Cl 62a_100011219619_100010202889 [1,1,0,0,0,0|0,1,0]=3 9051 B14R1.15 OCC(O)CSc1cccc(c1O)F 62a_100009813666_100011219619 [1,1,0,0,0,0|0,1,0]=3 9052 B14R1.15 OCC(O)CSc1cccc(c1O)F 62a_100011219619_100009813666 [1,1,0,0,0,0|0,1,0]=3 9053 B14R1.15 OCC(O)CSc1cccc(c1O)O 62a_100011219619_100009815950 [1,1,0,0,0,0|0,1,0]=3 9054 B14R1.15 OCC(O)CSc1ccnc(c1O)Cl 62a_100011219619_100010067911 [1,1,0,0,0,0|1,1,0]=4 9055 B14R1.15 OCC(O)CSc1nccc(c1O)F 62a_100011219619_100009867227 [1,1,0,0,0,0|1,1,0]=4 9056 B14R1.15 OC[C@H](O)CNc1cccc(c1Br)Cl 34a_100000687072_100009815848 [1,1,0,0,0,0|2,0,0]=4 9057 B14R1.15 OC[C@H](O)CNc1cccc(c1Br)F 34a_100011934729_100009815848 [1,1,0,0,0,0|2,0,0]=4 9058 B14R1.15 OC[C@H](O)CNc1cccc(c1Br)O 34a_100012183704_100009815848 [1,1,0,0,0,0|2,0,0]=4 9059 B14R1.15 OC[C@H](O)CNc1cccc(c1Br)O 7a_100012183704_100009815848 [1,1,0,0,0,0|2,0,0]=4 9060 B14R1.15 OC[C@H](O)CNc1cccc(c1Cl)Br 34a_100000687075_100009815848 [1,1,0,0,0,0|2,0,0]=4 9061 B14R1.15 OC[C@H](O)CNc1cccc(c1Cl)Cl 34a_100000185733_100009815848 [1,1,0,0,0,0|2,0,0]=4 9062 B14R1.15 OC[C@H](O)CNc1cccc(c1Cl)F 34a_100000692321_100009815848 [1,1,0,0,0,0|2,0,0]=4 9063 B14R1.15 OC[C@H](O)CNc1cccc(c1Cl)O 34a_100012002038_100009815848 [1,1,0,0,0,0|2,0,0]=4 9064 B14R1.15 OC[C@H](O)CNc1cccc(c1Cl)O 7a_100012002038_100009815848 [1,1,0,0,0,0|2,0,0]=4 9065 B14R1.15 OC[C@H](O)CNc1cccc(c1F)Br 2230a_100011935091_100009815848 [1,1,0,0,0,0|2,0,0]=4 9066 B14R1.15 OC[C@H](O)CNc1cccc(c1F)Br 34a_100011935091_100009815848 [1,1,0,0,0,0|2,0,0]=4 9067 B14R1.15 OC[C@H](O)CNc1cccc(c1F)Cl 2230a_100000199060_100009815848 [1,1,0,0,0,0|2,0,0]=4 9068 B14R1.15 OC[C@H](O)CNc1cccc(c1F)Cl 34a_100000199060_100009815848 [1,1,0,0,0,0|2,0,0]=4 9069 B14R1.15 OC[C@H](O)CNc1cccc(c1F)F 34a_100000743855_100009815848 [1,1,0,0,0,0|2,0,0]=4 9070 B14R1.15 OC[C@H](O)CNc1cccc(c1I)Br 34a_100020590159_100009815848 [1,1,0,0,0,0|2,0,0]=4 9071 B14R1.15 OC[C@H](O)CNc1cccc(c1I)Cl 34a_100000049713_100009815848 [1,1,0,0,0,0|2,0,0]=4 9072 B14R1.15 OC[C@H](O)CNc1cccc(c1I)F 34a_100000690935_100009815848 [1,1,0,0,0,0|2,0,0]=4 9073 B14R1.15 OC[C@H](O)CNc1cccc(c1O)Br 34a_100011934915_100009815848 [1,1,0,0,0,0|1,0,0]=3 9074 B14R1.15 OC[C@H](O)CNc1cccc(c1O)Cl 34a_100000754742_100009815848 [1,1,0,0,0,0|1,0,0]=3 9075 B14R1.15 OC[C@H](O)CNc1cccc(c1O)F 34a_100011934987_100009815848 [1,1,0,0,0,0|1,0,0]=3 9076 B14R1.15 OC[C@H](O)COc1cccc(c1Br)Br 34a_100010187966_100009815848 [1,1,0,0,0,0|1,0,0]=3 9077 B14R1.15 OC[C@H](O)COc1cccc(c1Br)Br 7a_100010187966_100009815848 [1,1,0,0,0,0|1,0,0]=3 9078 B14R1.15 OC[C@H](O)COc1cccc(c1Br)Cl 34a_100012348804_100009815848 [1,1,0,0,0,0|1,0,0]=3 9079 B14R1.15 OC[C@H](O)COc1cccc(c1Br)Cl 7a_100012348804_100009815848 [1,1,0,0,0,0|1,0,0]=3 9080 B14R1.15 OC[C@H](O)COc1cccc(c1Br)F 34a_100009820682_100009815848 [1,1,0,0,0,0|1,0,0]=3 9081 B14R1.15 OC[C@H](O)COc1cccc(c1Br)F 7a_100009820682_100009815848 [1,1,0,0,0,0|1,0,0]=3 9082 B14R1.15 OC[C@H](O)COc1cccc(c1Br)I 34a_100010187914_100009815848 [1,1,0,0,0,0|1,0,0]=3 9083 B14R1.15 OC[C@H](O)COc1cccc(c1Br)I 7a_100010187914_100009815848 [1,1,0,0,0,0|1,0,0]=3 9084 B14R1.15 OC[C@H](O)COc1cccc(c1Cl)Br 34a_100010187913_100009815848 [1,1,0,0,0,0|1,0,0]=3 9085 B14R1.15 OC[C@H](O)COc1cccc(c1Cl)Br 7a_100010187913_100009815848 [1,1,0,0,0,0|1,0,0]=3 9086 B14R1.15 OC[C@H](O)COc1cccc(c1Cl)Cl 34a_100000211076_100009815848 [1,1,0,0,0,0|1,0,0]=3 9087 B14R1.15 OC[C@H](O)COc1cccc(c1Cl)Cl 7a_100000211076_100009815848 [1,1,0,0,0,0|1,0,0]=3 9088 B14R1.15 OC[C@H](O)COc1cccc(c1Cl)F 34a_100000087408_100009815848 [1,1,0,0,0,0|1,0,0]=3 9089 B14R1.15 OC[C@H](O)COc1cccc(c1Cl)F 7a_100000087408_100009815848 [1,1,0,0,0,0|1,0,0]=3 9090 B14R1.15 OC[C@H](O)COc1cccc(c1Cl)I 34a_100000049636_100009815848 [1,1,0,0,0,0|1,0,0]=3 9091 B14R1.15 OC[C@H](O)COc1cccc(c1Cl)I 7a_100000049636_100009815848 [1,1,0,0,0,0|1,0,0]=3 9092 B14R1.15 OC[C@H](O)COc1cccc(c1F)Br 34a_100009817021_100009815848 [1,1,0,0,0,0|1,0,0]=3 9093 B14R1.15 OC[C@H](O)COc1cccc(c1F)Br 7a_100009817021_100009815848 [1,1,0,0,0,0|1,0,0]=3 9094 B14R1.15 OC[C@H](O)COc1cccc(c1F)Cl 34a_100000687438_100009815848 [1,1,0,0,0,0|1,0,0]=3 9095 B14R1.15 OC[C@H](O)COc1cccc(c1F)Cl 7a_100000687438_100009815848 [1,1,0,0,0,0|1,0,0]=3 9096 B14R1.15 OC[C@H](O)COc1cccc(c1F)F 34a_100000751161_100009815848 [1,1,0,0,0,0|1,0,0]=3 9097 B14R1.15 OC[C@H](O)COc1cccc(c1F)F 7a_100000751161_100009815848 [1,1,0,0,0,0|1,0,0]=3 9098 B14R1.15 OC[C@H](O)COc1cccc(c1I)Br 34a_100010187912_100009815848 [1,1,0,0,0,0|1,0,0]=3 9099 B14R1.15 OC[C@H](O)COc1cccc(c1I)Br 7a_100010187912_100009815848 [1,1,0,0,0,0|1,0,0]=3 9100 B14R1.15 OC[C@H](O)COc1cccc(c1I)Cl 34a_100000050174_100009815848 [1,1,0,0,0,0|1,0,0]=3 9101 B14R1.15 OC[C@H](O)COc1cccc(c1I)Cl 7a_100000050174_100009815848 [1,1,0,0,0,0|1,0,0]=3 9102 B14R1.15 OC[C@H](O)COc1cccc(c1I)F 34a_100000690913_100009815848 [1,1,0,0,0,0|1,0,0]=3 9103 B14R1.15 OC[C@H](O)COc1cccc(c1I)F 7a_100000690913_100009815848 [1,1,0,0,0,0|1,0,0]=3 9104 B14R1.15 OC[C@H](O)COc1ccnc(c1Br)Cl 34a_100010136240_100009815848 [1,1,0,0,0,0|2,0,0]=4 9105 B14R1.15 OC[C@H](O)COc1ccnc(c1Cl)Cl 34a_100009860235_100009815848 [1,1,0,0,0,0|2,0,0]=4 9106 B14R1.15 OC[C@H](O)COc1ccnc(c1F)Br 34a_100009876375_100009815848 [1,1,0,0,0,0|2,0,0]=4 9107 B14R1.15 OC[C@H](O)COc1ccnc(c1F)Cl 34a_100009856406_100009815848 [1,1,0,0,0,0|2,0,0]=4 9108 B14R1.15 OC[C@H](O)CSc1cccc(c1Br)Br 62a_100009815848_100010175083 [1,1,0,0,0,0|1,1,0]=4 9109 B14R1.15 OC[C@H](O)CSc1cccc(c1Br)Br 62a_100010175083_100009815848 [1,1,0,0,0,0|1,1,0]=4 9110 B14R1.15 OC[C@H](O)CSc1cccc(c1Br)Cl 62a_100009815848_100014021842 [1,1,0,0,0,0|1,1,0]=4 9111 B14R1.15 OC[C@H](O)CSc1cccc(c1Br)Cl 62a_100014021842_100009815848 [1,1,0,0,0,0|1,1,0]=4 9112 B14R1.15 OC[C@H](O)CSc1cccc(c1Br)F 62a_100009815848_100010202630 [1,1,0,0,0,0|1,1,0]=4 9113 B14R1.15 OC[C@H](O)CSc1cccc(c1Br)F 62a_100010202630_100009815848 [1,1,0,0,0,0|1,1,0]=4 9114 B14R1.15 OC[C@H](O)CSc1cccc(c1Br)O 62a_100009815848_100010187914 [1,1,0,0,0,0|1,1,0]=4 9115 B14R1.15 OC[C@H](O)CSc1cccc(c1Br)O 62a_100010187914_100009815848 [1,1,0,0,0,0|1,1,0]=4 9116 B14R1.15 OC[C@H](O)CSc1cccc(c1Cl)Br 62a_100009815848_100010142854 [1,1,0,0,0,0|1,1,0]=4 9117 B14R1.15 OC[C@H](O)CSc1cccc(c1Cl)Br 62a_100010142854_100009815848 [1,1,0,0,0,0|1,1,0]=4 9118 B14R1.15 OC[C@H](O)CSc1cccc(c1Cl)Cl 62a_100009815848_100011215384 [1,1,0,0,0,0|1,1,0]=4 9119 B14R1.15 OC[C@H](O)CSc1cccc(c1Cl)Cl 62a_100011215384_100009815848 [1,1,0,0,0,0|1,1,0]=4 9120 B14R1.15 OC[C@H](O)CSc1cccc(c1Cl)F 62a_100009815848_200010234923 [1,1,0,0,0,0|1,1,0]=4 9121 B14R1.15 OC[C@H](O)CSc1cccc(c1Cl)F 62a_200010234923_100009815848 [1,1,0,0,0,0|1,1,0]=4 9122 B14R1.15 OC[C@H](O)CSc1cccc(c1Cl)O 62a_100009815848_100000049636 [1,1,0,0,0,0|1,1,0]=4 9123 B14R1.15 OC[C@H](O)CSc1cccc(c1F)Br 62a_100000702267_100009815848 [1,1,0,0,0,0|1,1,0]=4 9124 B14R1.15 OC[C@H](O)CSc1cccc(c1F)Br 62a_100009815848_100000702267 [1,1,0,0,0,0|1,1,0]=4 9125 B14R1.15 OC[C@H](O)CSc1cccc(c1F)Cl 62a_100009815848_100011217346 [1,1,0,0,0,0|1,1,0]=4 9126 B14R1.15 OC[C@H](O)CSc1cccc(c1F)Cl 62a_100011217346_100009815848 [1,1,0,0,0,0|1,1,0]=4 9127 B14R1.15 OC[C@H](O)CSc1cccc(c1F)F 62a_100000694657_100009815848 [1,1,0,0,0,0|1,1,0]=4 9128 B14R1.15 OC[C@H](O)CSc1cccc(c1F)F 62a_100009815848_100000694657 [1,1,0,0,0,0|1,1,0]=4 9129 B14R1.15 OC[C@H](O)CSc1cccc(c1F)O 62a_100009815848_100009817021 [1,1,0,0,0,0|1,1,0]=4 9130 B14R1.15 OC[C@H](O)CSc1cccc(c1F)O 62a_100009817021_100009815848 [1,1,0,0,0,0|1,1,0]=4 9131 B14R1.15 OC[C@H](O)CSc1cccc(c1O)Br 62a_100009815848_100010084509 [1,1,0,0,0,0|0,1,0]=3 9132 B14R1.15 OC[C@H](O)CSc1cccc(c1O)Br 62a_100010084509_100009815848 [1,1,0,0,0,0|0,1,0]=3 9133 B14R1.15 OC[C@H](O)CSc1cccc(c1O)Cl 62a_100009815848_100010202889 [1,1,0,0,0,0|0,1,0]=3 9134 B14R1.15 OC[C@H](O)CSc1cccc(c1O)Cl 62a_100010202889_100009815848 [1,1,0,0,0,0|0,1,0]=3 9135 B14R1.15 OC[C@H](O)CSc1cccc(c1O)F 62a_100009813666_100009815848 [1,1,0,0,0,0|0,1,0]=3 9136 B14R1.15 OC[C@H](O)CSc1cccc(c1O)F 62a_100009815848_100009813666 [1,1,0,0,0,0|0,1,0]=3 9137 B14R1.15 OC[C@H](O)CSc1cccc(c1O)O 62a_100009815848_100009815950 [1,1,0,0,0,0|0,1,0]=3 9138 B14R1.15 OC[C@H](O)CSc1ccnc(c1O)Cl 62a_100009815848_100010067911 [1,1,0,0,0,0|1,1,0]=4 9139 B14R1.15 OC[C@H](O)CSc1nccc(c1O)F 62a_100009815848_100009867227 [1,1,0,0,0,0|1,1,0]=4 9140 B14R1.15 O[C@@H](CF)COc1cccc(c1Br)Br 34a_100010187966_100015614560 [1,1,0,0,0,0|2,0,0]=4 9141 B14R1.15 O[C@@H](CF)COc1cccc(c1Br)Br 7a_100010187966_100015614560 [1,1,0,0,0,0|2,0,0]=4 9142 B14R1.15 O[C@@H](CF)COc1cccc(c1Br)Cl 34a_100012348804_100015614560 [1,1,0,0,0,0|2,0,0]=4 9143 B14R1.15 O[C@@H](CF)COc1cccc(c1Br)Cl 7a_100012348804_100015614560 [1,1,0,0,0,0|2,0,0]=4 9144 B14R1.15 O[C@@H](CF)COc1cccc(c1Br)F 34a_100009820682_100015614560 [1,1,0,0,0,0|2,0,0]=4 9145 B14R1.15 O[C@@H](CF)COc1cccc(c1Br)F 7a_100009820682_100015614560 [1,1,0,0,0,0|2,0,0]=4 9146 B14R1.15 O[C@@H](CF)COc1cccc(c1Br)I 34a_100010187914_100015614560 [1,1,0,0,0,0|2,0,0]=4 9147 B14R1.15 O[C@@H](CF)COc1cccc(c1Br)I 7a_100010187914_100015614560 [1,1,0,0,0,0|2,0,0]=4 9148 B14R1.15 O[C@@H](CF)COc1cccc(c1Cl)Br 34a_100010187913_100015614560 [1,1,0,0,0,0|2,0,0]=4 9149 B14R1.15 O[C@@H](CF)COc1cccc(c1Cl)Br 7a_100010187913_100015614560 [1,1,0,0,0,0|2,0,0]=4 9150 B14R1.15 O[C@@H](CF)COc1cccc(c1Cl)Cl 34a_100000211076_100015614560 [1,1,0,0,0,0|2,0,0]=4 9151 B14R1.15 O[C@@H](CF)COc1cccc(c1Cl)Cl 7a_100000211076_100015614560 [1,1,0,0,0,0|2,0,0]=4 9152 B14R1.15 O[C@@H](CF)COc1cccc(c1Cl)F 34a_100000087408_100015614560 [1,1,0,0,0,0|2,0,0]=4 9153 B14R1.15 O[C@@H](CF)COc1cccc(c1Cl)F 7a_100000087408_100015614560 [1,1,0,0,0,0|2,0,0]=4 9154 B14R1.15 O[C@@H](CF)COc1cccc(c1Cl)I 34a_100000049636_100015614560 [1,1,0,0,0,0|2,0,0]=4 9155 B14R1.15 O[C@@H](CF)COc1cccc(c1Cl)I 7a_100000049636_100015614560 [1,1,0,0,0,0|2,0,0]=4 9156 B14R1.15 O[C@@H](CF)COc1cccc(c1F)Br 34a_100009817021_100015614560 [1,1,0,0,0,0|2,0,0]=4 9157 B14R1.15 O[C@@H](CF)COc1cccc(c1F)Br 7a_100009817021_100015614560 [1,1,0,0,0,0|2,0,0]=4 9158 B14R1.15 O[C@@H](CF)COc1cccc(c1F)Cl 34a_100000687438_100015614560 [1,1,0,0,0,0|2,0,0]=4 9159 B14R1.15 O[C@@H](CF)COc1cccc(c1F)Cl 7a_100000687438_100015614560 [1,1,0,0,0,0|2,0,0]=4 9160 B14R1.15 O[C@@H](CF)COc1cccc(c1F)F 34a_100000751161_100015614560 [1,1,0,0,0,0|2,0,0]=4 9161 B14R1.15 O[C@@H](CF)COc1cccc(c1F)F 7a_100000751161_100015614560 [1,1,0,0,0,0|2,0,0]=4 9162 B14R1.15 O[C@@H](CF)COc1cccc(c1I)Br 34a_100010187912_100015614560 [1,1,0,0,0,0|2,0,0]=4 9163 B14R1.15 O[C@@H](CF)COc1cccc(c1I)Br 7a_100010187912_100015614560 [1,1,0,0,0,0|2,0,0]=4 9164 B14R1.15 O[C@@H](CF)COc1cccc(c1I)Cl 34a_100000050174_100015614560 [1,1,0,0,0,0|2,0,0]=4 9165 B14R1.15 O[C@@H](CF)COc1cccc(c1I)Cl 7a_100000050174_100015614560 [1,1,0,0,0,0|2,0,0]=4 9166 B14R1.15 O[C@@H](CF)COc1cccc(c1I)F 34a_100000690913_100015614560 [1,1,0,0,0,0|2,0,0]=4 9167 B14R1.15 O[C@@H](CF)COc1cccc(c1I)F 7a_100000690913_100015614560 [1,1,0,0,0,0|2,0,0]=4 9168 B14R1.15 Oc1c(cccc1NC[C@@H](O)CF)Br 34a_100011934915_100015614560 [1,1,0,0,0,0|2,0,0]=4 9169 B14R1.15 Oc1c(cccc1NC[C@@H](O)CF)Cl 34a_100000754742_100015614560 [1,1,0,0,0,0|2,0,0]=4 9170 B14R1.15 Oc1c(cccc1NC[C@@H](O)CF)F 34a_100011934987_100015614560 [1,1,0,0,0,0|2,0,0]=4 9171 B14R1.15 Oc1c(cccc1SC[C@@H](O)CF)Br 62a_100010084509_100015614560 [1,1,0,0,0,0|1,1,0]=4 9172 B14R1.15 Oc1c(cccc1SC[C@@H](O)CF)Br 62a_100015614560_100010084509 [1,1,0,0,0,0|1,1,0]=4 9173 B14R1.15 Oc1c(cccc1SC[C@@H](O)CF)Cl 62a_100010202889_100015614560 [1,1,0,0,0,0|1,1,0]=4 9174 B14R1.15 Oc1c(cccc1SC[C@@H](O)CF)Cl 62a_100015614560_100010202889 [1,1,0,0,0,0|1,1,0]=4 9175 B14R1.15 Oc1c(cccc1SC[C@@H](O)CF)F 62a_100009813666_100015614560 [1,1,0,0,0,0|1,1,0]=4 9176 B14R1.15 Oc1c(cccc1SC[C@@H](O)CF)F 62a_100015614560_100009813666 [1,1,0,0,0,0|1,1,0]=4 9177 B14R1.15 Oc1cccc(c1O)SC[C@@H](O)CF 62a_100015614560_100009815950 [1,1,0,0,0,0|1,1,0]=4 9178 B14R1.161 CC(=O)C(O)COc1ccccc1C 1458a_100011934399_200000210301 [1,1,0,0,0,0|0,0,2]=4 9179 B14R1.161 Cc1ccccc1OCC(O)C(=O)[13CH3] 1458a_100011934399_200025704644 [1,1,0,0,0,0|0,0,2]=4 9180 B14R1.298 CC(C)(CO)CNc1ccccc1O 34a_100000185747_100009813988 [1,1,0,0,0,0|2,0,0]=4 9181 B14R1.298 CC(C)(CO)COc1ccccc1Br 34a_100000181306_100009813988 [1,1,0,0,0,0|2,0,0]=4 9182 B14R1.298 CC(C)(CO)COc1ccccc1Br 7a_100000181306_100009813988 [1,1,0,0,0,0|2,0,0]=4 9183 B14R1.298 CC(C)(CO)COc1ccccc1Cl 34a_100000210172_100009813988 [1,1,0,0,0,0|2,0,0]=4 9184 B14R1.298 CC(C)(CO)COc1ccccc1Cl 7a_100000210172_100009813988 [1,1,0,0,0,0|2,0,0]=4 9185 B14R1.298 CC(C)(CO)COc1ccccc1F 34a_100000210171_100009813988 [1,1,0,0,0,0|2,0,0]=4 9186 B14R1.298 CC(C)(CO)COc1ccccc1F 7a_100000210171_100009813988 [1,1,0,0,0,0|2,0,0]=4 9187 B14R1.298 CC(C)(CO)COc1ccccc1I 34a_100000739446_100009813988 [1,1,0,0,0,0|2,0,0]=4 9188 B14R1.298 CC(C)(CO)COc1ccccc1I 7a_100000739446_100009813988 [1,1,0,0,0,0|2,0,0]=4 9189 B14R1.298 CC(C)(CO)COc1ccccc1N 34a_100000185747_100009813988 [1,1,0,0,0,0|2,0,0]=4 9190 B14R1.298 CC(C)(CO)COc1ccccc1N 7a_100000185747_100009813988 [1,1,0,0,0,0|2,0,0]=4 9191 B14R1.298 CC(C)(CO)CSc1ccccc1O 62a_100000739446_100009813988 [1,1,0,0,0,0|1,1,0]=4 9192 B14R1.298 CC(C)(CO)CSc1ccccc1O 62a_100009813988_100000739446 [1,1,0,0,0,0|1,1,0]=4 9193 B14R1.298 Cc1ccccc1NCC(C)(C)CO 34a_100015192222_100009813988 [1,1,0,0,0,0|2,0,0]=4 9194 B14R1.298 Cc1ccccc1OCC(C)(C)CO 34a_100000210338_100009813988 [1,1,0,0,0,0|1,0,0]=3 9195 B14R1.298 Cc1ccccc1OCC(C)(C)CO 7a_100000210338_100009813988 [1,1,0,0,0,0|1,0,0]=3 9196 B14R1.298 Cc1ccccc1SCC(C)(C)CO 62a_100000210755_100009813988 [1,1,0,0,0,0|1,1,0]=4 9197 B14R1.298 Cc1ccccc1SCC(C)(C)CO 62a_100009813988_100000210755 [1,1,0,0,0,0|1,1,0]=4 9198 B14R1.298 Cc1ccncc1OCC(C)(C)CO 34a_100011997053_100009813988 [1,1,0,0,0,0|2,0,0]=4 9199 B14R1.298 Cc1ccncc1OCC(C)(C)CO 7a_100011997053_100009813988 [1,1,0,0,0,0|2,0,0]=4 9200 B14R1.298 Cc1cnccc1OCC(C)(C)CO 34a_100000694293_100009813988 [1,1,0,0,0,0|2,0,0]=4 9201 B14R1.298 Cc1ncccc1OCC(C)(C)CO 34a_100000745507_100009813988 [1,1,0,0,0,0|2,0,0]=4 9202 B14R1.298 Cc1ncccc1OCC(C)(C)CO 7a_100000745507_100009813988 [1,1,0,0,0,0|2,0,0]=4 9203 B14R1.387 CCC(CC)COc1ccccc1C 34a_100000210338_100011215472 [1,1,0,0,0,0|2,0,0]=4 9204 B14R1.387 CCC(CC)COc1ccccc1C 7a_100000210338_100011215472 [1,1,0,0,0,0|2,0,0]=4 9205 B14R1.387 COC(COc1ccccc1C)OC 34a_100000210338_100000211822 [1,1,0,0,0,0|2,0,0]=4 9206 B14R1.387 COC(COc1ccccc1C)OC 7a_100000210338_100000751394 [1,1,0,0,0,0|2,0,0]=4 9207 B14R1.387 Cc1ccccc1CNC(CO)CO 207a_100000759517_100000211143 [1,1,0,0,0,0|2,0,0]=4 9208 B14R1.387 Cc1ccccc1CNC(CO)CO 2230a_100000759517_100000211839 [1,1,0,0,0,0|2,0,0]=4 9209 B14R1.587 CCC(O)CC(=O)c1ccccc1C 1458a_100000212026_100011218378 [1,1,0,0,0,0|2,0,0]=4 9210 B14R1.587 CCC(O)CC(=O)c1ccccc1O 1458a_100015234032_100011218378 [1,1,0,0,0,0|2,0,0]=4 9211 B14R1.587 CCC(O)CN(C)c1ccccc1C 2230a_100000219699_100011218378 [1,1,0,0,0,0|2,0,0]=4 9212 B14R1.587 CCC(O)CN(C)c1ccccc1C 269982a_100000219699_100011218378 [1,1,0,0,0,0|2,0,0]=4 9213 B14R1.587 CCC(O)CN(C)c1ccccc1C 34a_100000219699_100011218378 [1,1,0,0,0,0|2,0,0]=4 9214 B14R1.587 CCC(O)CN(C)c1ccccc1O 269982a_100000033821_100011218378 [1,1,0,0,0,0|2,0,0]=4 9215 B14R1.587 CN(CC(O)CO)c1ccccc1Br 2230a_100020606079_100011219619 [1,1,0,0,0,0|2,0,0]=4 9216 B14R1.587 CN(CC(O)CO)c1ccccc1Br 34a_100020606079_100011219619 [1,1,0,0,0,0|2,0,0]=4 9217 B14R1.587 CN(CC(O)CO)c1ccccc1Cl 2230a_100000219374_100011219619 [1,1,0,0,0,0|2,0,0]=4 9218 B14R1.587 CN(CC(O)CO)c1ccccc1Cl 34a_100000219374_100011219619 [1,1,0,0,0,0|2,0,0]=4 9219 B14R1.587 CN(CC(O)CO)c1ccccc1F 2230a_100000220357_100011219619 [1,1,0,0,0,0|2,0,0]=4 9220 B14R1.587 CN(CC(O)CO)c1ccccc1F 34a_100000220357_100011219619 [1,1,0,0,0,0|2,0,0]=4 9221 B14R1.587 CN(C[C@@H](O)CO)c1ccccc1Br 2230a_100020606079_100009815848 [1,1,0,0,0,0|2,0,0]=4 9222 B14R1.587 CN(C[C@@H](O)CO)c1ccccc1Br 34a_100020606079_100009815848 [1,1,0,0,0,0|2,0,0]=4 9223 B14R1.587 CN(C[C@@H](O)CO)c1ccccc1Cl 2230a_100000219374_100009815848 [1,1,0,0,0,0|2,0,0]=4 9224 B14R1.587 CN(C[C@@H](O)CO)c1ccccc1Cl 34a_100000219374_100009815848 [1,1,0,0,0,0|2,0,0]=4 9225 B14R1.587 CN(C[C@@H](O)CO)c1ccccc1F 2230a_100000220357_100009815848 [1,1,0,0,0,0|2,0,0]=4 9226 B14R1.587 CN(C[C@@H](O)CO)c1ccccc1F 34a_100000220357_100009815848 [1,1,0,0,0,0|2,0,0]=4 9227 B14R1.587 C[C@@H](CO)CC(=O)c1ccccc1O 1458a_100015234032_100000059175 [1,1,0,0,0,0|2,0,0]=4 9228 B14R1.587 C[C@@H](CO)CN(C)c1ccccc1O 269982a_100000033821_100000059175 [1,1,0,0,0,0|2,0,0]=4 9229 B14R1.587 Cc1ccccc1C(=O)C[C@@H](C)CO 1458a_100000212026_100000059175 [1,1,0,0,0,0|2,0,0]=4 9230 B14R1.587 Cc1ccccc1N(C)CC(O)CO 2230a_100000219699_100011219619 [1,1,0,0,0,0|1,0,0]=3 9231 B14R1.587 Cc1ccccc1N(C)CC(O)CO 34a_100000219699_100011219619 [1,1,0,0,0,0|1,0,0]=3 9232 B14R1.587 Cc1ccccc1N(C)C[C@@H](C)CO 2230a_100000219699_100000059175 [1,1,0,0,0,0|2,0,0]=4 9233 B14R1.587 Cc1ccccc1N(C)C[C@@H](C)CO 269982a_100000219699_100000059175 [1,1,0,0,0,0|2,0,0]=4 9234 B14R1.587 Cc1ccccc1N(C)C[C@@H](C)CO 34a_100000219699_100000059175 [1,1,0,0,0,0|2,0,0]=4 9235 B14R1.587 Cc1ccccc1N(C)C[C@@H](O)CF 2230a_100000219699_100015614560 [1,1,0,0,0,0|2,0,0]=4 9236 B14R1.587 Cc1ccccc1N(C)C[C@@H](O)CF 34a_100000219699_100015614560 [1,1,0,0,0,0|2,0,0]=4 9237 B14R1.587 Cc1ccccc1N(C)C[C@@H](O)CO 2230a_100000219699_100009815848 [1,1,0,0,0,0|1,0,0]=3 9238 B14R1.587 Cc1ccccc1N(C)C[C@@H](O)CO 34a_100000219699_100009815848 [1,1,0,0,0,0|1,0,0]=3 9239 B14R1.587 Cc1cnccc1N(C)CC(O)CO 27a_100011216503_100000765111 [1,1,0,0,0,0|2,0,0]=4 9240 B14R1.598 CCCC(C)COc1ccccc1C 34a_100000210338_100011216630 [1,1,0,0,0,0|2,0,0]=4 9241 B14R1.598 CCCC(C)COc1ccccc1C 7a_100000210338_100011216630 [1,1,0,0,0,0|2,0,0]=4 9242 B14R1.598 CCNC(C)COc1ccccc1C 2230a_100000744241_100000210202 [1,1,0,0,0,0|2,0,0]=4 9243 B14R1.598 CCNC(C)COc1ccccc1C 34a_100000744241_100000210202 [1,1,0,0,0,0|2,0,0]=4 9244 B14R1.598 CCOC(C)COc1ccccc1C 34a_200011217337_100000210202 [1,1,0,0,0,0|2,0,0]=4 9245 B14R1.598 CCOC(C)COc1ccccc1C 7a_200011217337_100000210202 [1,1,0,0,0,0|2,0,0]=4 9246 B14R1.598 COCC(O)CNc1ccccc1Br 34a_100000210017_100011215053 [1,1,0,0,0,0|2,0,0]=4 9247 B14R1.598 COCC(O)CNc1ccccc1C 34a_100015192222_100011215053 [1,1,0,0,0,0|1,0,0]=3 9248 B14R1.598 COCC(O)CNc1ccccc1Cl 34a_100000185783_100011215053 [1,1,0,0,0,0|2,0,0]=4 9249 B14R1.598 COCC(O)CNc1ccccc1F 34a_100000210422_100011215053 [1,1,0,0,0,0|2,0,0]=4 9250 B14R1.598 COCC(O)CNc1ccccc1I 34a_100000210053_100011215053 [1,1,0,0,0,0|2,0,0]=4 9251 B14R1.598 COCC(O)CNc1ccccc1O 34a_100000185747_100011215053 [1,1,0,0,0,0|1,0,0]=3 9252 B14R1.598 COCC(O)CNc1ccncc1C 27a_100000756049_100000765111 [1,1,0,0,0,0|2,0,0]=4 9253 B14R1.598 COCC(O)COc1cccc[n+]1[O-] 7a_100000211761_100011215053 [1,1,0,0,0,0|1,0,1]=4 9254 B14R1.598 COCC(O)COc1ccccc1Br 34a_100000181306_100011215053 [1,1,0,0,0,0|1,0,0]=3 9255 B14R1.598 COCC(O)COc1ccccc1Br 7a_100000181306_100011215053 [1,1,0,0,0,0|1,0,0]=3 9256 B14R1.598 COCC(O)COc1ccccc1C 34a_100000210338_100011215053 [1,1,0,0,0,0|0,0,0]=2 9257 B14R1.598 COCC(O)COc1ccccc1C 7a_100000210338_100011215053 [1,1,0,0,0,0|0,0,0]=2 9258 B14R1.598 COCC(O)COc1ccccc1Cl 34a_100000210172_100011215053 [1,1,0,0,0,0|1,0,0]=3 9259 B14R1.598 COCC(O)COc1ccccc1Cl 7a_100000210172_100011215053 [1,1,0,0,0,0|1,0,0]=3 9260 B14R1.598 COCC(O)COc1ccccc1F 34a_100000210171_100011215053 [1,1,0,0,0,0|1,0,0]=3 9261 B14R1.598 COCC(O)COc1ccccc1F 7a_100000210171_100011215053 [1,1,0,0,0,0|1,0,0]=3 9262 B14R1.598 COCC(O)COc1ccccc1I 34a_100000739446_100011215053 [1,1,0,0,0,0|1,0,0]=3 9263 B14R1.598 COCC(O)COc1ccccc1I 7a_100000739446_100011215053 [1,1,0,0,0,0|1,0,0]=3 9264 B14R1.598 COCC(O)COc1ccccc1N 34a_100000185747_100011215053 [1,1,0,0,0,0|1,0,0]=3 9265 B14R1.598 COCC(O)COc1ccccc1N 7a_100000185747_100011215053 [1,1,0,0,0,0|1,0,0]=3 9266 B14R1.598 COCC(O)COc1cccnc1Br 34a_100000744436_100011215053 [1,1,0,0,0,0|2,0,0]=4 9267 B14R1.598 COCC(O)COc1cccnc1Br 7a_100000744436_100011215053 [1,1,0,0,0,0|2,0,0]=4 9268 B14R1.598 COCC(O)COc1cccnc1C 34a_100000745507_100011215053 [1,1,0,0,0,0|1,0,0]=3 9269 B14R1.598 COCC(O)COc1cccnc1C 7a_100000745507_100011215053 [1,1,0,0,0,0|1,0,0]=3 9270 B14R1.598 COCC(O)COc1cccnc1Cl 34a_100000757616_100011215053 [1,1,0,0,0,0|2,0,0]=4 9271 B14R1.598 COCC(O)COc1cccnc1Cl 7a_100000757616_100011215053 [1,1,0,0,0,0|2,0,0]=4 9272 B14R1.598 COCC(O)COc1cccnc1F 34a_100000061740_100011215053 [1,1,0,0,0,0|2,0,0]=4 9273 B14R1.598 COCC(O)COc1cccnc1F 7a_100000061740_100011215053 [1,1,0,0,0,0|2,0,0]=4 9274 B14R1.598 COCC(O)COc1cccnc1I 34a_100000034122_100011215053 [1,1,0,0,0,0|2,0,0]=4 9275 B14R1.598 COCC(O)COc1cccnc1I 7a_100000034122_100011215053 [1,1,0,0,0,0|2,0,0]=4 9276 B14R1.598 COCC(O)COc1cccnc1N 34a_100000211975_100011215053 [1,1,0,0,0,0|2,0,0]=4 9277 B14R1.598 COCC(O)COc1cccnc1N 7a_100000211975_100011215053 [1,1,0,0,0,0|2,0,0]=4 9278 B14R1.598 COCC(O)COc1cccoc1=O 34a_100000077404_100011215053 [1,1,0,0,0,0|1,0,1]=4 9279 B14R1.598 COCC(O)COc1cccoc1=O 7a_100000077404_100011215053 [1,1,0,0,0,0|1,0,1]=4 9280 B14R1.598 COCC(O)COc1ccncc1Br 34a_100011996408_100011215053 [1,1,0,0,0,0|2,0,0]=4 9281 B14R1.598 COCC(O)COc1ccncc1C 34a_100000694293_100011215053 [1,1,0,0,0,0|1,0,0]=3 9282 B14R1.598 COCC(O)COc1ccncc1Cl 34a_100011997054_100011215053 [1,1,0,0,0,0|2,0,0]=4 9283 B14R1.598 COCC(O)COc1ccncc1F 34a_200000081243_100011215053 [1,1,0,0,0,0|2,0,0]=4 9284 B14R1.598 COCC(O)COc1cnccc1C 34a_100011997053_100011215053 [1,1,0,0,0,0|1,0,0]=3 9285 B14R1.598 COCC(O)COc1cnccc1C 7a_100011997053_100011215053 [1,1,0,0,0,0|1,0,0]=3 9286 B14R1.598 COCC(O)COc1cnccc1Cl 34a_100011996695_100011215053 [1,1,0,0,0,0|2,0,0]=4 9287 B14R1.598 COCC(O)COc1cnccc1I 34a_100000050107_100011215053 [1,1,0,0,0,0|2,0,0]=4 9288 B14R1.598 COCC(O)COc1cnccc1N 34a_100000753702_100011215053 [1,1,0,0,0,0|2,0,0]=4 9289 B14R1.598 COCC(O)COc1coccc1=O 34a_100000060831_100011215053 [1,1,0,0,0,0|1,0,1]=4 9290 B14R1.598 COCC(O)COc1ncccc1Cl 34a_100011290957_100011215053 [1,1,0,0,0,0|2,0,0]=4 9291 B14R1.598 COCC(O)COc1ncccc1F 34a_100011219419_100011215053 [1,1,0,0,0,0|2,0,0]=4 9292 B14R1.598 COCC(O)COc1ncccc1N 34a_100000746358_100011215053 [1,1,0,0,0,0|2,0,0]=4 9293 B14R1.598 COCC(O)COc1nccnc1C 34a_100000766352_100011215053 [1,1,0,0,0,0|2,0,0]=4 9294 B14R1.598 COCC(O)CSc1cccc[n+]1C 62a_100011215053_100000212160 [1,1,0,0,0,0|1,1,0]=4 9295 B14R1.598 COCC(O)CSc1ccccc1Br 62a_100000695589_100011215053 [1,1,0,0,0,0|1,1,0]=4 9296 B14R1.598 COCC(O)CSc1ccccc1Br 62a_100011215053_100000695589 [1,1,0,0,0,0|1,1,0]=4 9297 B14R1.598 COCC(O)CSc1ccccc1C 62a_100000210755_100011215053 [1,1,0,0,0,0|0,1,0]=3 9298 B14R1.598 COCC(O)CSc1ccccc1C 62a_100011215053_100000210755 [1,1,0,0,0,0|0,1,0]=3 9299 B14R1.598 COCC(O)CSc1ccccc1Cl 62a_100000764095_100011215053 [1,1,0,0,0,0|1,1,0]=4 9300 B14R1.598 COCC(O)CSc1ccccc1Cl 62a_100011215053_100000764095 [1,1,0,0,0,0|1,1,0]=4 9301 B14R1.598 COCC(O)CSc1ccccc1F 62a_100011215053_100011215700 [1,1,0,0,0,0|1,1,0]=4 9302 B14R1.598 COCC(O)CSc1ccccc1F 62a_100011215700_100011215053 [1,1,0,0,0,0|1,1,0]=4 9303 B14R1.598 COCC(O)CSc1ccccc1N 62a_100000210017_100011215053 [1,1,0,0,0,0|1,1,0]=4 9304 B14R1.598 COCC(O)CSc1ccccc1N 62a_100011215053_100000210017 [1,1,0,0,0,0|1,1,0]=4 9305 B14R1.598 COCC(O)CSc1ccccc1O 62a_100000739446_100011215053 [1,1,0,0,0,0|0,1,0]=3 9306 B14R1.598 COCC(O)CSc1ccccc1O 62a_100011215053_100000739446 [1,1,0,0,0,0|0,1,0]=3 9307 B14R1.598 COCC(O)CSc1cccnc1C 62a_100000751574_100011215053 [1,1,0,0,0,0|1,1,0]=4 9308 B14R1.598 COCC(O)CSc1cccnc1C 62a_100011215053_100000751574 [1,1,0,0,0,0|1,1,0]=4 9309 B14R1.598 COCC(O)CSc1cccnc1O 62a_100000760158_100011215053 [1,1,0,0,0,0|1,1,0]=4 9310 B14R1.598 COCC(O)CSc1cccnc1O 62a_100011215053_100000760158 [1,1,0,0,0,0|1,1,0]=4 9311 B14R1.598 COCC(O)CSc1ccncc1C 62a_100000765111_100011215053 [1,1,0,0,0,0|1,1,0]=4 9312 B14R1.598 COCC(O)CSc1ccncc1C 62a_100011215053_100000765111 [1,1,0,0,0,0|1,1,0]=4 9313 B14R1.598 COCC(O)CSc1ccncc1O 62a_100009817591_100011215053 [1,1,0,0,0,0|1,1,0]=4 9314 B14R1.598 COCC(O)CSc1ccncc1O 62a_100011215053_100009817591 [1,1,0,0,0,0|1,1,0]=4 9315 B14R1.598 COCC(O)CSc1cnccc1C 62a_100000761580_100011215053 [1,1,0,0,0,0|1,1,0]=4 9316 B14R1.598 COCC(O)CSc1cnccc1C 62a_100011215053_100000761580 [1,1,0,0,0,0|1,1,0]=4 9317 B14R1.598 COCC(O)CSc1ncccc1C 62a_100000751373_100011215053 [1,1,0,0,0,0|1,1,0]=4 9318 B14R1.598 COCC(O)CSc1ncccc1C 62a_100011215053_100000751373 [1,1,0,0,0,0|1,1,0]=4 9319 B14R1.598 COCC(O)CSc1ncccc1O 62a_100000034122_100011215053 [1,1,0,0,0,0|1,1,0]=4 9320 B14R1.598 COCC(O)CSc1ncccc1O 62a_100011215053_100000034122 [1,1,0,0,0,0|1,1,0]=4 9321 B14R1.598 Cc1ccccc1OCC(=O)CCO 1458a_100000182418_100000211926 [1,1,0,0,0,0|0,0,2]=4 9322 B14R1.598 Cc1ccccc1OCC(=O)NCO 34a_100000210338_100000185155 [1,1,0,0,0,0|0,0,2]=4 9323 B14R1.598 Cc1ccccc1OCC(=O)NCO 7a_100000210338_100000185155 [1,1,0,0,0,0|0,0,2]=4 9324 B14R1.598 Cc1ccccc1OCC(C)NCF 34a_100000744241_100015361967 [1,1,0,0,0,0|2,0,0]=4 9325 B14R1.598 Cc1ccccc1OCC(C)OCF 34a_200011217337_100015361967 [1,1,0,0,0,0|2,0,0]=4 9326 B14R1.598 Cc1ccccc1OCC(C)OCF 7a_200011217337_100015361967 [1,1,0,0,0,0|2,0,0]=4 9327 B14R1.598 Cc1ccccc1OC[C@@H](O)CC#N 7a_100000210338_100000001066 [1,1,0,0,0,0|1,0,0]=3 9328 B14R1.598 Cc1ccccc1SC[C@@H](O)CC#N 62a_100000001066_100000210755 [1,1,0,0,0,0|1,1,0]=4 9329 B14R1.598 Cc1ccccc1SC[C@@H](O)CC#N 62a_100000210755_100000001066 [1,1,0,0,0,0|1,1,0]=4 9330 B14R1.598 Cc1ccncc1OC[C@@H](O)CC#N 7a_100011997053_100000001066 [1,1,0,0,0,0|2,0,0]=4 9331 B14R1.598 Cc1ncccc1OC[C@@H](O)CC#N 7a_100000745507_100000001066 [1,1,0,0,0,0|2,0,0]=4 9332 B14R1.598 N#CC[C@H](O)COc1ccccc1Br 7a_100000181306_100000001066 [1,1,0,0,0,0|2,0,0]=4 9333 B14R1.598 N#CC[C@H](O)COc1ccccc1Cl 7a_100000210172_100000001066 [1,1,0,0,0,0|2,0,0]=4 9334 B14R1.598 N#CC[C@H](O)COc1ccccc1F 7a_100000210171_100000001066 [1,1,0,0,0,0|2,0,0]=4 9335 B14R1.598 N#CC[C@H](O)COc1ccccc1I 7a_100000739446_100000001066 [1,1,0,0,0,0|2,0,0]=4 9336 B14R1.598 N#CC[C@H](O)COc1ccccc1N 7a_100000185747_100000001066 [1,1,0,0,0,0|2,0,0]=4 9337 B14R1.598 N#CC[C@H](O)CSc1ccccc1O 62a_100000001066_100000739446 [1,1,0,0,0,0|1,1,0]=4 9338 B14R1.598 N#CC[C@H](O)CSc1ccccc1O 62a_100000739446_100000001066 [1,1,0,0,0,0|1,1,0]=4 9339 B14R1.598 O=C(CCO)COc1ccccc1O 1458a_100000183020_100000211926 [1,1,0,0,0,0|0,0,2]=4 9340 B14R1.727 C=CC(O)COc1ccc(cc1C)Br 34a_100000186361_100000730141 [1,1,0,0,0,0|1,0,1]=4 9341 B14R1.727 C=CC(O)COc1ccc(cc1C)Br 7a_100000186361_100000730141 [1,1,0,0,0,0|1,0,1]=4 9342 B14R1.727 C=CC(O)COc1ccc(cc1C)C 34a_100000211776_100000730141 [1,1,0,0,0,0|1,0,1]=4 9343 B14R1.727 C=CC(O)COc1ccc(cc1C)C 7a_100000211776_100000730141 [1,1,0,0,0,0|1,0,1]=4 9344 B14R1.727 C=CC(O)COc1ccc(cc1C)Cl 34a_100000211091_100000730141 [1,1,0,0,0,0|1,0,1]=4 9345 B14R1.727 C=CC(O)COc1ccc(cc1C)Cl 7a_100000211091_100000730141 [1,1,0,0,0,0|1,0,1]=4 9346 B14R1.727 C=CC(O)COc1ccc(cc1C)F 34a_100000764316_100000730141 [1,1,0,0,0,0|1,0,1]=4 9347 B14R1.727 C=CC(O)COc1ccc(cc1C)F 7a_100000764316_100000730141 [1,1,0,0,0,0|1,0,1]=4 9348 B14R1.727 C=CC(O)COc1ccc(cc1C)I 34a_100011218673_100000730141 [1,1,0,0,0,0|1,0,1]=4 9349 B14R1.727 C=CC(O)COc1ccc(cc1C)I 7a_100011218673_100000730141 [1,1,0,0,0,0|1,0,1]=4 9350 B14R1.727 C=CC(O)COc1ccc(cc1C)N 34a_100011218179_100000730141 [1,1,0,0,0,0|1,0,1]=4 9351 B14R1.727 C=CC(O)COc1ccc(cc1C)N 7a_100011218179_100000730141 [1,1,0,0,0,0|1,0,1]=4 9352 B14R1.727 CCC(C)COc1ccc(cc1C)Br 34a_100000186361_100000748023 [1,1,0,0,0,0|2,0,0]=4 9353 B14R1.727 CCC(C)COc1ccc(cc1C)Br 7a_100000186361_100000748023 [1,1,0,0,0,0|2,0,0]=4 9354 B14R1.727 CCC(C)COc1ccc(cc1C)C 34a_100000211776_100000748023 [1,1,0,0,0,0|2,0,0]=4 9355 B14R1.727 CCC(C)COc1ccc(cc1C)C 7a_100000211776_100000748023 [1,1,0,0,0,0|2,0,0]=4 9356 B14R1.727 CCC(C)COc1ccc(cc1C)Cl 34a_100000211091_100000748023 [1,1,0,0,0,0|2,0,0]=4 9357 B14R1.727 CCC(C)COc1ccc(cc1C)Cl 7a_100000211091_100000748023 [1,1,0,0,0,0|2,0,0]=4 9358 B14R1.727 CCC(C)COc1ccc(cc1C)F 34a_100000764316_100000748023 [1,1,0,0,0,0|2,0,0]=4 9359 B14R1.727 CCC(C)COc1ccc(cc1C)F 7a_100000764316_100000748023 [1,1,0,0,0,0|2,0,0]=4 9360 B14R1.727 CCC(C)COc1ccc(cc1C)I 34a_100011218673_100000748023 [1,1,0,0,0,0|2,0,0]=4 9361 B14R1.727 CCC(C)COc1ccc(cc1C)I 7a_100011218673_100000748023 [1,1,0,0,0,0|2,0,0]=4 9362 B14R1.727 CCC(C)COc1ccc(cc1C)N 34a_100011218179_100000748023 [1,1,0,0,0,0|2,0,0]=4 9363 B14R1.727 CCC(C)COc1ccc(cc1C)N 7a_100011218179_100000748023 [1,1,0,0,0,0|2,0,0]=4 9364 B14R1.727 CCC(O)CNc1ccc(cc1C)Br 34a_100000211769_100011218378 [1,1,0,0,0,0|2,0,0]=4 9365 B14R1.727 CCC(O)CNc1ccc(cc1C)Br 7a_100000211769_100011218378 [1,1,0,0,0,0|2,0,0]=4 9366 B14R1.727 CCC(O)CNc1ccc(cc1C)C 34a_100000736561_100011218378 [1,1,0,0,0,0|2,0,0]=4 9367 B14R1.727 CCC(O)CNc1ccc(cc1C)C 7a_100000736561_100011218378 [1,1,0,0,0,0|2,0,0]=4 9368 B14R1.727 CCC(O)CNc1ccc(cc1C)Cl 34a_100000210418_100011218378 [1,1,0,0,0,0|2,0,0]=4 9369 B14R1.727 CCC(O)CNc1ccc(cc1C)Cl 7a_100000210418_100011218378 [1,1,0,0,0,0|2,0,0]=4 9370 B14R1.727 CCC(O)CNc1ccc(cc1C)F 34a_100000211637_100011218378 [1,1,0,0,0,0|2,0,0]=4 9371 B14R1.727 CCC(O)CNc1ccc(cc1C)F 7a_100000211637_100011218378 [1,1,0,0,0,0|2,0,0]=4 9372 B14R1.727 CCC(O)CNc1ccc(cc1C)I 34a_100000184554_100011218378 [1,1,0,0,0,0|2,0,0]=4 9373 B14R1.727 CCC(O)CNc1ccc(cc1C)I 7a_100000184554_100011218378 [1,1,0,0,0,0|2,0,0]=4 9374 B14R1.727 CCC(O)CNc1ccc(cc1C)O 34a_100000756630_100011218378 [1,1,0,0,0,0|2,0,0]=4 9375 B14R1.727 CCC(O)CNc1ccc(cc1O)Br 34a_100000739049_100011218378 [1,1,0,0,0,0|2,0,0]=4 9376 B14R1.727 CCC(O)CNc1ccc(cc1O)C 34a_100000211527_100011218378 [1,1,0,0,0,0|2,0,0]=4 9377 B14R1.727 CCC(O)CNc1ccc(cc1O)Cl 34a_100000185728_100011218378 [1,1,0,0,0,0|2,0,0]=4 9378 B14R1.727 CCC(O)CNc1ccc(cc1O)F 34a_100000753323_100011218378 [1,1,0,0,0,0|2,0,0]=4 9379 B14R1.727 CCC(O)CNc1ccc(cc1O)O 34a_100000106777_100011218378 [1,1,0,0,0,0|2,0,0]=4 9380 B14R1.727 CCC(O)COc1ccc(cc1Br)Br 34a_100000188717_100011218378 [1,1,0,0,0,0|2,0,0]=4 9381 B14R1.727 CCC(O)COc1ccc(cc1Br)Br 7a_100000188717_100011218378 [1,1,0,0,0,0|2,0,0]=4 9382 B14R1.727 CCC(O)COc1ccc(cc1Br)C 34a_100000210800_100011218378 [1,1,0,0,0,0|2,0,0]=4 9383 B14R1.727 CCC(O)COc1ccc(cc1Br)C 7a_100000210800_100011218378 [1,1,0,0,0,0|2,0,0]=4 9384 B14R1.727 CCC(O)COc1ccc(cc1Br)Cl 34a_100000211998_100011218378 [1,1,0,0,0,0|2,0,0]=4 9385 B14R1.727 CCC(O)COc1ccc(cc1Br)Cl 7a_100000211998_100011218378 [1,1,0,0,0,0|2,0,0]=4 9386 B14R1.727 CCC(O)COc1ccc(cc1Br)F 34a_100000211999_100011218378 [1,1,0,0,0,0|2,0,0]=4 9387 B14R1.727 CCC(O)COc1ccc(cc1Br)F 7a_100000211999_100011218378 [1,1,0,0,0,0|2,0,0]=4 9388 B14R1.727 CCC(O)COc1ccc(cc1Br)I 34a_100012361655_100011218378 [1,1,0,0,0,0|2,0,0]=4 9389 B14R1.727 CCC(O)COc1ccc(cc1Br)I 7a_100012361655_100011218378 [1,1,0,0,0,0|2,0,0]=4 9390 B14R1.727 CCC(O)COc1ccc(cc1Br)N 34a_100011534360_100011218378 [1,1,0,0,0,0|2,0,0]=4 9391 B14R1.727 CCC(O)COc1ccc(cc1Br)N 7a_100011534360_100011218378 [1,1,0,0,0,0|2,0,0]=4 9392 B14R1.727 CCC(O)COc1ccc(cc1C)Br 34a_100000186361_100011218378 [1,1,0,0,0,0|1,0,0]=3 9393 B14R1.727 CCC(O)COc1ccc(cc1C)Br 7a_100000186361_100011218378 [1,1,0,0,0,0|1,0,0]=3 9394 B14R1.727 CCC(O)COc1ccc(cc1C)C 34a_100000211776_100011218378 [1,1,0,0,0,0|1,0,0]=3 9395 B14R1.727 CCC(O)COc1ccc(cc1C)C 7a_100000211776_100011218378 [1,1,0,0,0,0|1,0,0]=3 9396 B14R1.727 CCC(O)COc1ccc(cc1C)Cl 34a_100000211091_100011218378 [1,1,0,0,0,0|1,0,0]=3 9397 B14R1.727 CCC(O)COc1ccc(cc1C)Cl 7a_100000211091_100011218378 [1,1,0,0,0,0|1,0,0]=3 9398 B14R1.727 CCC(O)COc1ccc(cc1C)F 34a_100000764316_100011218378 [1,1,0,0,0,0|1,0,0]=3 9399 B14R1.727 CCC(O)COc1ccc(cc1C)F 7a_100000764316_100011218378 [1,1,0,0,0,0|1,0,0]=3 9400 B14R1.727 CCC(O)COc1ccc(cc1C)I 34a_100011218673_100011218378 [1,1,0,0,0,0|1,0,0]=3 9401 B14R1.727 CCC(O)COc1ccc(cc1C)I 7a_100011218673_100011218378 [1,1,0,0,0,0|1,0,0]=3 9402 B14R1.727 CCC(O)COc1ccc(cc1C)N 34a_100011218179_100011218378 [1,1,0,0,0,0|1,0,0]=3 9403 B14R1.727 CCC(O)COc1ccc(cc1C)N 7a_100011218179_100011218378 [1,1,0,0,0,0|1,0,0]=3 9404 B14R1.727 CCC(O)COc1ccc(cc1Cl)Br 34a_100000186472_100011218378 [1,1,0,0,0,0|2,0,0]=4 9405 B14R1.727 CCC(O)COc1ccc(cc1Cl)Br 7a_100000186472_100011218378 [1,1,0,0,0,0|2,0,0]=4 9406 B14R1.727 CCC(O)COc1ccc(cc1Cl)C 34a_100000749699_100011218378 [1,1,0,0,0,0|2,0,0]=4 9407 B14R1.727 CCC(O)COc1ccc(cc1Cl)C 7a_100000749699_100011218378 [1,1,0,0,0,0|2,0,0]=4 9408 B14R1.727 CCC(O)COc1ccc(cc1Cl)Cl 34a_100015191787_100011218378 [1,1,0,0,0,0|2,0,0]=4 9409 B14R1.727 CCC(O)COc1ccc(cc1Cl)Cl 7a_100015191787_100011218378 [1,1,0,0,0,0|2,0,0]=4 9410 B14R1.727 CCC(O)COc1ccc(cc1Cl)F 34a_100000212004_100011218378 [1,1,0,0,0,0|2,0,0]=4 9411 B14R1.727 CCC(O)COc1ccc(cc1Cl)F 7a_100000212004_100011218378 [1,1,0,0,0,0|2,0,0]=4 9412 B14R1.727 CCC(O)COc1ccc(cc1Cl)I 34a_100012360047_100011218378 [1,1,0,0,0,0|2,0,0]=4 9413 B14R1.727 CCC(O)COc1ccc(cc1Cl)I 7a_100012360047_100011218378 [1,1,0,0,0,0|2,0,0]=4 9414 B14R1.727 CCC(O)COc1ccc(cc1Cl)N 34a_100000744943_100011218378 [1,1,0,0,0,0|2,0,0]=4 9415 B14R1.727 CCC(O)COc1ccc(cc1Cl)N 7a_100000744943_100011218378 [1,1,0,0,0,0|2,0,0]=4 9416 B14R1.727 CCC(O)COc1ccc(cc1F)Br 34a_100000185481_100011218378 [1,1,0,0,0,0|2,0,0]=4 9417 B14R1.727 CCC(O)COc1ccc(cc1F)Br 7a_100000185481_100011218378 [1,1,0,0,0,0|2,0,0]=4 9418 B14R1.727 CCC(O)COc1ccc(cc1F)C 34a_100011216688_100011218378 [1,1,0,0,0,0|2,0,0]=4 9419 B14R1.727 CCC(O)COc1ccc(cc1F)C 7a_100011216688_100011218378 [1,1,0,0,0,0|2,0,0]=4 9420 B14R1.727 CCC(O)COc1ccc(cc1F)Cl 34a_100000230166_100011218378 [1,1,0,0,0,0|2,0,0]=4 9421 B14R1.727 CCC(O)COc1ccc(cc1F)Cl 7a_100000230166_100011218378 [1,1,0,0,0,0|2,0,0]=4 9422 B14R1.727 CCC(O)COc1ccc(cc1F)F 34a_100000230127_100011218378 [1,1,0,0,0,0|2,0,0]=4 9423 B14R1.727 CCC(O)COc1ccc(cc1F)F 7a_100000230127_100011218378 [1,1,0,0,0,0|2,0,0]=4 9424 B14R1.727 CCC(O)COc1ccc(cc1F)I 34a_100011356965_100011218378 [1,1,0,0,0,0|2,0,0]=4 9425 B14R1.727 CCC(O)COc1ccc(cc1F)I 7a_100011356965_100011218378 [1,1,0,0,0,0|2,0,0]=4 9426 B14R1.727 CCC(O)COc1ccc(cc1F)N 34a_100011220035_100011218378 [1,1,0,0,0,0|2,0,0]=4 9427 B14R1.727 CCC(O)COc1ccc(cc1F)N 7a_100011220035_100011218378 [1,1,0,0,0,0|2,0,0]=4 9428 B14R1.727 CCC(O)COc1ccc(cc1I)Br 34a_100012355227_100011218378 [1,1,0,0,0,0|2,0,0]=4 9429 B14R1.727 CCC(O)COc1ccc(cc1I)Br 7a_100012355227_100011218378 [1,1,0,0,0,0|2,0,0]=4 9430 B14R1.727 CCC(O)COc1ccc(cc1I)C 34a_100000765521_100011218378 [1,1,0,0,0,0|2,0,0]=4 9431 B14R1.727 CCC(O)COc1ccc(cc1I)C 7a_100000765521_100011218378 [1,1,0,0,0,0|2,0,0]=4 9432 B14R1.727 CCC(O)COc1ccc(cc1I)Cl 34a_100011356953_100011218378 [1,1,0,0,0,0|2,0,0]=4 9433 B14R1.727 CCC(O)COc1ccc(cc1I)Cl 7a_100011356953_100011218378 [1,1,0,0,0,0|2,0,0]=4 9434 B14R1.727 CCC(O)COc1ccc(cc1I)F 34a_100012355409_100011218378 [1,1,0,0,0,0|2,0,0]=4 9435 B14R1.727 CCC(O)COc1ccc(cc1I)F 7a_100012355409_100011218378 [1,1,0,0,0,0|2,0,0]=4 9436 B14R1.727 CCC(O)COc1ccc(cc1I)I 7a_100010001573_100011218378 [1,1,0,0,0,0|2,0,0]=4 9437 B14R1.727 CCC(O)COc1ccc(cc1N)Br 34a_100000752626_100011218378 [1,1,0,0,0,0|2,0,0]=4 9438 B14R1.727 CCC(O)COc1ccc(cc1N)Br 7a_100000752626_100011218378 [1,1,0,0,0,0|2,0,0]=4 9439 B14R1.727 CCC(O)COc1ccc(cc1N)C 34a_100011215204_100011218378 [1,1,0,0,0,0|2,0,0]=4 9440 B14R1.727 CCC(O)COc1ccc(cc1N)C 7a_100011215204_100011218378 [1,1,0,0,0,0|2,0,0]=4 9441 B14R1.727 CCC(O)COc1ccc(cc1N)Cl 34a_100000210500_100011218378 [1,1,0,0,0,0|2,0,0]=4 9442 B14R1.727 CCC(O)COc1ccc(cc1N)Cl 7a_100000210500_100011218378 [1,1,0,0,0,0|2,0,0]=4 9443 B14R1.727 CCC(O)COc1ccc(cc1N)F 34a_100000759472_100011218378 [1,1,0,0,0,0|2,0,0]=4 9444 B14R1.727 CCC(O)COc1ccc(cc1N)F 7a_100000759472_100011218378 [1,1,0,0,0,0|2,0,0]=4 9445 B14R1.727 CCC(O)COc1ccc(cc1N)I 34a_100000753495_100011218378 [1,1,0,0,0,0|2,0,0]=4 9446 B14R1.727 CCC(O)COc1ccc(cc1N)I 7a_100000753495_100011218378 [1,1,0,0,0,0|2,0,0]=4 9447 B14R1.727 CCC(O)COc1ccc(cc1N)N 34a_100000725306_100011218378 [1,1,0,0,0,0|2,0,0]=4 9448 B14R1.727 CCC(O)COc1ccc(nc1C)Br 34a_100012002022_100011218378 [1,1,0,0,0,0|2,0,0]=4 9449 B14R1.727 CCC(O)COc1ccc(nc1C)Br 7a_100012002022_100011218378 [1,1,0,0,0,0|2,0,0]=4 9450 B14R1.727 CCC(O)COc1ccc(nc1C)C 34a_100011218912_100011218378 [1,1,0,0,0,0|2,0,0]=4 9451 B14R1.727 CCC(O)COc1ccc(nc1C)C 7a_100011218912_100011218378 [1,1,0,0,0,0|2,0,0]=4 9452 B14R1.727 CCC(O)COc1ccc(nc1C)Cl 34a_100012184626_100011218378 [1,1,0,0,0,0|2,0,0]=4 9453 B14R1.727 CCC(O)COc1ccc(nc1C)Cl 7a_100012184626_100011218378 [1,1,0,0,0,0|2,0,0]=4 9454 B14R1.727 CCC(O)COc1ccc(nc1C)F 34a_100009881036_100011218378 [1,1,0,0,0,0|2,0,0]=4 9455 B14R1.727 CCC(O)COc1ccc(nc1C)F 7a_100009881036_100011218378 [1,1,0,0,0,0|2,0,0]=4 9456 B14R1.727 CCC(O)COc1ccc(nc1C)I 34a_100010233687_100011218378 [1,1,0,0,0,0|2,0,0]=4 9457 B14R1.727 CCC(O)COc1ccc(nc1C)I 7a_100010233687_100011218378 [1,1,0,0,0,0|2,0,0]=4 9458 B14R1.727 CCC(O)COc1cnc(cc1C)C 34a_200000068632_100011218378 [1,1,0,0,0,0|2,0,0]=4 9459 B14R1.727 CCC(O)COc1cnc(cc1C)C 7a_200000068632_100011218378 [1,1,0,0,0,0|2,0,0]=4 9460 B14R1.727 CCC(O)COc1cnc(cc1C)Cl 34a_100000692680_100011218378 [1,1,0,0,0,0|2,0,0]=4 9461 B14R1.727 CCC(O)COc1cnc(cc1C)Cl 7a_100000692680_100011218378 [1,1,0,0,0,0|2,0,0]=4 9462 B14R1.727 CCC(O)COc1cnc(cc1C)F 34a_100009856773_100011218378 [1,1,0,0,0,0|2,0,0]=4 9463 B14R1.727 CCC(O)COc1cnc(cc1C)F 7a_100009856773_100011218378 [1,1,0,0,0,0|2,0,0]=4 9464 B14R1.727 CCC(O)COc1ncc(cc1C)Br 34a_100000685391_100011218378 [1,1,0,0,0,0|2,0,0]=4 9465 B14R1.727 CCC(O)CSc1ccc(cc1C)Br 62a_100000701812_100011218378 [1,1,0,0,0,0|1,1,0]=4 9466 B14R1.727 CCC(O)CSc1ccc(cc1C)Br 62a_100011218378_100000701812 [1,1,0,0,0,0|1,1,0]=4 9467 B14R1.727 CCC(O)CSc1ccc(cc1C)C 62a_100011217332_100011218378 [1,1,0,0,0,0|1,1,0]=4 9468 B14R1.727 CCC(O)CSc1ccc(cc1C)C 62a_100011218378_100011217332 [1,1,0,0,0,0|1,1,0]=4 9469 B14R1.727 CCC(O)CSc1ccc(cc1C)Cl 62a_100011218378_100011219607 [1,1,0,0,0,0|1,1,0]=4 9470 B14R1.727 CCC(O)CSc1ccc(cc1C)Cl 62a_100011219607_100011218378 [1,1,0,0,0,0|1,1,0]=4 9471 B14R1.727 CCC(O)CSc1ccc(cc1C)F 62a_100011205405_100011218378 [1,1,0,0,0,0|1,1,0]=4 9472 B14R1.727 CCC(O)CSc1ccc(cc1C)F 62a_100011218378_100011205405 [1,1,0,0,0,0|1,1,0]=4 9473 B14R1.727 CCC(O)CSc1ccc(cc1C)N 62a_100000210723_100011218378 [1,1,0,0,0,0|1,1,0]=4 9474 B14R1.727 CCC(O)CSc1ccc(cc1C)N 62a_100011218378_100000210723 [1,1,0,0,0,0|1,1,0]=4 9475 B14R1.727 CCC(O)CSc1ccc(cc1C)O 62a_100011218378_100000690111 [1,1,0,0,0,0|1,1,0]=4 9476 B14R1.727 CCC(O)CSc1ccc(cc1O)Br 62a_100011218378_100012344904 [1,1,0,0,0,0|1,1,0]=4 9477 B14R1.727 CCC(O)CSc1ccc(cc1O)Br 62a_100012344904_100011218378 [1,1,0,0,0,0|1,1,0]=4 9478 B14R1.727 CCC(O)CSc1ccc(cc1O)C 62a_100011218378_100012002257 [1,1,0,0,0,0|1,1,0]=4 9479 B14R1.727 CCC(O)CSc1ccc(cc1O)C 62a_100012002257_100011218378 [1,1,0,0,0,0|1,1,0]=4 9480 B14R1.727 CCC(O)CSc1ccc(cc1O)Cl 62a_100000050036_100011218378 [1,1,0,0,0,0|1,1,0]=4 9481 B14R1.727 CCC(O)CSc1ccc(cc1O)Cl 62a_100011218378_100000050036 [1,1,0,0,0,0|1,1,0]=4 9482 B14R1.727 CCC(O)CSc1ccc(cc1O)F 62a_100000690578_100011218378 [1,1,0,0,0,0|1,1,0]=4 9483 B14R1.727 CCC(O)CSc1ccc(cc1O)F 62a_100011218378_100000690578 [1,1,0,0,0,0|1,1,0]=4 9484 B14R1.727 CCC(O)CSc1ccc(cc1O)O 62a_100011218378_100009813921 [1,1,0,0,0,0|1,1,0]=4 9485 B14R1.727 CC[C@H](C)COc1ccc(cc1C)Br 34a_100000186361_100009816398 [1,1,0,0,0,0|2,0,0]=4 9486 B14R1.727 CC[C@H](C)COc1ccc(cc1C)Br 7a_100000186361_100009816398 [1,1,0,0,0,0|2,0,0]=4 9487 B14R1.727 CC[C@H](C)COc1ccc(cc1C)C 34a_100000211776_100009816398 [1,1,0,0,0,0|2,0,0]=4 9488 B14R1.727 CC[C@H](C)COc1ccc(cc1C)C 7a_100000211776_100009816398 [1,1,0,0,0,0|2,0,0]=4 9489 B14R1.727 CC[C@H](C)COc1ccc(cc1C)Cl 34a_100000211091_100009816398 [1,1,0,0,0,0|2,0,0]=4 9490 B14R1.727 CC[C@H](C)COc1ccc(cc1C)Cl 7a_100000211091_100009816398 [1,1,0,0,0,0|2,0,0]=4 9491 B14R1.727 CC[C@H](C)COc1ccc(cc1C)F 34a_100000764316_100009816398 [1,1,0,0,0,0|2,0,0]=4 9492 B14R1.727 CC[C@H](C)COc1ccc(cc1C)F 7a_100000764316_100009816398 [1,1,0,0,0,0|2,0,0]=4 9493 B14R1.727 CC[C@H](C)COc1ccc(cc1C)I 34a_100011218673_100009816398 [1,1,0,0,0,0|2,0,0]=4 9494 B14R1.727 CC[C@H](C)COc1ccc(cc1C)I 7a_100011218673_100009816398 [1,1,0,0,0,0|2,0,0]=4 9495 B14R1.727 CC[C@H](C)COc1ccc(cc1C)N 34a_100011218179_100009816398 [1,1,0,0,0,0|2,0,0]=4 9496 B14R1.727 CC[C@H](C)COc1ccc(cc1C)N 7a_100011218179_100009816398 [1,1,0,0,0,0|2,0,0]=4 9497 B14R1.727 C[C@@H](CO)CNc1ccc(cc1O)Br 34a_100000739049_100000059175 [1,1,0,0,0,0|2,0,0]=4 9498 B14R1.727 C[C@@H](CO)CNc1ccc(cc1O)Cl 34a_100000185728_100000059175 [1,1,0,0,0,0|2,0,0]=4 9499 B14R1.727 C[C@@H](CO)CNc1ccc(cc1O)F 34a_100000753323_100000059175 [1,1,0,0,0,0|2,0,0]=4 9500 B14R1.727 C[C@@H](CO)CNc1ccc(cc1O)O 34a_100000106777_100000059175 [1,1,0,0,0,0|2,0,0]=4 9501 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)Br 34a_100000188717_100000059175 [1,1,0,0,0,0|2,0,0]=4 9502 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)Br 7a_100000188717_100000059175 [1,1,0,0,0,0|2,0,0]=4 9503 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)Cl 34a_100000211998_100000059175 [1,1,0,0,0,0|2,0,0]=4 9504 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)Cl 7a_100000211998_100000059175 [1,1,0,0,0,0|2,0,0]=4 9505 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)F 34a_100000211999_100000059175 [1,1,0,0,0,0|2,0,0]=4 9506 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)F 7a_100000211999_100000059175 [1,1,0,0,0,0|2,0,0]=4 9507 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)I 34a_100012361655_100000059175 [1,1,0,0,0,0|2,0,0]=4 9508 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)I 7a_100012361655_100000059175 [1,1,0,0,0,0|2,0,0]=4 9509 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)N 34a_100011534360_100000059175 [1,1,0,0,0,0|2,0,0]=4 9510 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)N 7a_100011534360_100000059175 [1,1,0,0,0,0|2,0,0]=4 9511 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)Br 34a_100000186472_100000059175 [1,1,0,0,0,0|2,0,0]=4 9512 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)Br 7a_100000186472_100000059175 [1,1,0,0,0,0|2,0,0]=4 9513 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)Cl 34a_100015191787_100000059175 [1,1,0,0,0,0|2,0,0]=4 9514 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)Cl 7a_100015191787_100000059175 [1,1,0,0,0,0|2,0,0]=4 9515 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)F 34a_100000212004_100000059175 [1,1,0,0,0,0|2,0,0]=4 9516 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)F 7a_100000212004_100000059175 [1,1,0,0,0,0|2,0,0]=4 9517 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)I 34a_100012360047_100000059175 [1,1,0,0,0,0|2,0,0]=4 9518 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)I 7a_100012360047_100000059175 [1,1,0,0,0,0|2,0,0]=4 9519 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)N 34a_100000744943_100000059175 [1,1,0,0,0,0|2,0,0]=4 9520 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)N 7a_100000744943_100000059175 [1,1,0,0,0,0|2,0,0]=4 9521 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)Br 34a_100000185481_100000059175 [1,1,0,0,0,0|2,0,0]=4 9522 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)Br 7a_100000185481_100000059175 [1,1,0,0,0,0|2,0,0]=4 9523 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)Cl 34a_100000230166_100000059175 [1,1,0,0,0,0|2,0,0]=4 9524 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)Cl 7a_100000230166_100000059175 [1,1,0,0,0,0|2,0,0]=4 9525 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)F 34a_100000230127_100000059175 [1,1,0,0,0,0|2,0,0]=4 9526 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)F 7a_100000230127_100000059175 [1,1,0,0,0,0|2,0,0]=4 9527 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)I 34a_100011356965_100000059175 [1,1,0,0,0,0|2,0,0]=4 9528 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)I 7a_100011356965_100000059175 [1,1,0,0,0,0|2,0,0]=4 9529 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)N 34a_100011220035_100000059175 [1,1,0,0,0,0|2,0,0]=4 9530 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)N 7a_100011220035_100000059175 [1,1,0,0,0,0|2,0,0]=4 9531 B14R1.727 C[C@@H](CO)COc1ccc(cc1I)Br 34a_100012355227_100000059175 [1,1,0,0,0,0|2,0,0]=4 9532 B14R1.727 C[C@@H](CO)COc1ccc(cc1I)Br 7a_100012355227_100000059175 [1,1,0,0,0,0|2,0,0]=4 9533 B14R1.727 C[C@@H](CO)COc1ccc(cc1I)Cl 34a_100011356953_100000059175 [1,1,0,0,0,0|2,0,0]=4 9534 B14R1.727 C[C@@H](CO)COc1ccc(cc1I)Cl 7a_100011356953_100000059175 [1,1,0,0,0,0|2,0,0]=4 9535 B14R1.727 C[C@@H](CO)COc1ccc(cc1I)F 34a_100012355409_100000059175 [1,1,0,0,0,0|2,0,0]=4 9536 B14R1.727 C[C@@H](CO)COc1ccc(cc1I)F 7a_100012355409_100000059175 [1,1,0,0,0,0|2,0,0]=4 9537 B14R1.727 C[C@@H](CO)COc1ccc(cc1I)I 7a_100010001573_100000059175 [1,1,0,0,0,0|2,0,0]=4 9538 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)Br 34a_100000752626_100000059175 [1,1,0,0,0,0|2,0,0]=4 9539 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)Br 7a_100000752626_100000059175 [1,1,0,0,0,0|2,0,0]=4 9540 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)Cl 34a_100000210500_100000059175 [1,1,0,0,0,0|2,0,0]=4 9541 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)Cl 7a_100000210500_100000059175 [1,1,0,0,0,0|2,0,0]=4 9542 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)F 34a_100000759472_100000059175 [1,1,0,0,0,0|2,0,0]=4 9543 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)F 7a_100000759472_100000059175 [1,1,0,0,0,0|2,0,0]=4 9544 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)I 34a_100000753495_100000059175 [1,1,0,0,0,0|2,0,0]=4 9545 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)I 7a_100000753495_100000059175 [1,1,0,0,0,0|2,0,0]=4 9546 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)N 34a_100000725306_100000059175 [1,1,0,0,0,0|2,0,0]=4 9547 B14R1.727 C[C@@H](CO)CSc1ccc(cc1O)Br 62a_100000059175_100012344904 [1,1,0,0,0,0|1,1,0]=4 9548 B14R1.727 C[C@@H](CO)CSc1ccc(cc1O)Br 62a_100012344904_100000059175 [1,1,0,0,0,0|1,1,0]=4 9549 B14R1.727 C[C@@H](CO)CSc1ccc(cc1O)Cl 62a_100000050036_100000059175 [1,1,0,0,0,0|1,1,0]=4 9550 B14R1.727 C[C@@H](CO)CSc1ccc(cc1O)Cl 62a_100000059175_100000050036 [1,1,0,0,0,0|1,1,0]=4 9551 B14R1.727 C[C@@H](CO)CSc1ccc(cc1O)F 62a_100000059175_100000690578 [1,1,0,0,0,0|1,1,0]=4 9552 B14R1.727 C[C@@H](CO)CSc1ccc(cc1O)F 62a_100000690578_100000059175 [1,1,0,0,0,0|1,1,0]=4 9553 B14R1.727 C[C@@H](CO)CSc1ccc(cc1O)O 62a_100000059175_100009813921 [1,1,0,0,0,0|1,1,0]=4 9554 B14R1.727 Cc1c[n+](ccc1SCC(O)CO)[O-] 62a_100011219619_100000074940 [1,1,0,0,0,0|1,1,0]=4 9555 B14R1.727 Cc1c[n+](ccc1SC[C@@H](O)CO)[O-] 62a_100009815848_100000074940 [1,1,0,0,0,0|1,1,0]=4 9556 B14R1.727 Cc1cc(=O)c(co1)OCC(O)CO 34a_100000081520_100011219619 [1,1,0,0,0,0|1,0,1]=4 9557 B14R1.727 Cc1cc(=O)c(co1)OC[C@@H](O)CO 34a_100000081520_100009815848 [1,1,0,0,0,0|1,0,1]=4 9558 B14R1.727 Cc1cc(c(cn1)OCC(O)CO)Br 34a_100009843476_100011219619 [1,1,0,0,0,0|2,0,0]=4 9559 B14R1.727 Cc1cc(c(cn1)OCC(O)CO)Br 7a_100009843476_100011219619 [1,1,0,0,0,0|2,0,0]=4 9560 B14R1.727 Cc1cc(c(cn1)OCC(O)CO)C 34a_200000068632_100011219619 [1,1,0,0,0,0|1,0,0]=3 9561 B14R1.727 Cc1cc(c(cn1)OCC(O)CO)C 7a_200000068632_100011219619 [1,1,0,0,0,0|1,0,0]=3 9562 B14R1.727 Cc1cc(c(cn1)OC[C@@H](C)CO)C 34a_200000068632_100000059175 [1,1,0,0,0,0|2,0,0]=4 9563 B14R1.727 Cc1cc(c(cn1)OC[C@@H](C)CO)C 7a_200000068632_100000059175 [1,1,0,0,0,0|2,0,0]=4 9564 B14R1.727 Cc1cc(c(cn1)OC[C@@H](O)CF)C 34a_200000068632_100015614560 [1,1,0,0,0,0|2,0,0]=4 9565 B14R1.727 Cc1cc(c(cn1)OC[C@@H](O)CF)C 7a_200000068632_100015614560 [1,1,0,0,0,0|2,0,0]=4 9566 B14R1.727 Cc1cc(c(cn1)OC[C@@H](O)CO)Br 34a_100009843476_100009815848 [1,1,0,0,0,0|2,0,0]=4 9567 B14R1.727 Cc1cc(c(cn1)OC[C@@H](O)CO)Br 7a_100009843476_100009815848 [1,1,0,0,0,0|2,0,0]=4 9568 B14R1.727 Cc1cc(c(cn1)OC[C@@H](O)CO)C 34a_200000068632_100009815848 [1,1,0,0,0,0|1,0,0]=3 9569 B14R1.727 Cc1cc(c(cn1)OC[C@@H](O)CO)C 7a_200000068632_100009815848 [1,1,0,0,0,0|1,0,0]=3 9570 B14R1.727 Cc1cc(c(cn1)SCC(O)CO)C 62a_100009819613_100011219619 [1,1,0,0,0,0|1,1,0]=4 9571 B14R1.727 Cc1cc(c(cn1)SCC(O)CO)C 62a_100011219619_100009819613 [1,1,0,0,0,0|1,1,0]=4 9572 B14R1.727 Cc1cc(c(cn1)SCC(O)CO)O 62a_100011016184_100011219619 [1,1,0,0,0,0|1,1,0]=4 9573 B14R1.727 Cc1cc(c(cn1)SCC(O)CO)O 62a_100011219619_100011016184 [1,1,0,0,0,0|1,1,0]=4 9574 B14R1.727 Cc1cc(c(cn1)SC[C@@H](O)CO)C 62a_100009815848_100009819613 [1,1,0,0,0,0|1,1,0]=4 9575 B14R1.727 Cc1cc(c(cn1)SC[C@@H](O)CO)C 62a_100009819613_100009815848 [1,1,0,0,0,0|1,1,0]=4 9576 B14R1.727 Cc1cc(c(cn1)SC[C@@H](O)CO)O 62a_100009815848_100011016184 [1,1,0,0,0,0|1,1,0]=4 9577 B14R1.727 Cc1cc(c(cn1)SC[C@@H](O)CO)O 62a_100011016184_100009815848 [1,1,0,0,0,0|1,1,0]=4 9578 B14R1.727 Cc1cc(ccc1NCC(O)CO)Br 34a_100000211769_100011219619 [1,1,0,0,0,0|1,0,0]=3 9579 B14R1.727 Cc1cc(ccc1NCC(O)CO)Br 7a_100000211769_100011219619 [1,1,0,0,0,0|1,0,0]=3 9580 B14R1.727 Cc1cc(ccc1NCC(O)CO)Cl 34a_100000210418_100011219619 [1,1,0,0,0,0|1,0,0]=3 9581 B14R1.727 Cc1cc(ccc1NCC(O)CO)Cl 7a_100000210418_100011219619 [1,1,0,0,0,0|1,0,0]=3 9582 B14R1.727 Cc1cc(ccc1NCC(O)CO)F 34a_100000211637_100011219619 [1,1,0,0,0,0|1,0,0]=3 9583 B14R1.727 Cc1cc(ccc1NCC(O)CO)F 7a_100000211637_100011219619 [1,1,0,0,0,0|1,0,0]=3 9584 B14R1.727 Cc1cc(ccc1NCC(O)CO)I 34a_100000184554_100011219619 [1,1,0,0,0,0|1,0,0]=3 9585 B14R1.727 Cc1cc(ccc1NCC(O)CO)I 7a_100000184554_100011219619 [1,1,0,0,0,0|1,0,0]=3 9586 B14R1.727 Cc1cc(ccc1NCC(O)CO)O 34a_100000756630_100011219619 [1,1,0,0,0,0|1,0,0]=3 9587 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)Br 34a_100000211769_100000059175 [1,1,0,0,0,0|2,0,0]=4 9588 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)Br 7a_100000211769_100000059175 [1,1,0,0,0,0|2,0,0]=4 9589 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)Cl 34a_100000210418_100000059175 [1,1,0,0,0,0|2,0,0]=4 9590 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)Cl 7a_100000210418_100000059175 [1,1,0,0,0,0|2,0,0]=4 9591 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)F 34a_100000211637_100000059175 [1,1,0,0,0,0|2,0,0]=4 9592 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)F 7a_100000211637_100000059175 [1,1,0,0,0,0|2,0,0]=4 9593 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)I 34a_100000184554_100000059175 [1,1,0,0,0,0|2,0,0]=4 9594 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)I 7a_100000184554_100000059175 [1,1,0,0,0,0|2,0,0]=4 9595 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)O 34a_100000756630_100000059175 [1,1,0,0,0,0|2,0,0]=4 9596 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)Br 34a_100000211769_100015614560 [1,1,0,0,0,0|2,0,0]=4 9597 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)Br 7a_100000211769_100015614560 [1,1,0,0,0,0|2,0,0]=4 9598 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)Cl 34a_100000210418_100015614560 [1,1,0,0,0,0|2,0,0]=4 9599 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)Cl 7a_100000210418_100015614560 [1,1,0,0,0,0|2,0,0]=4 9600 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)F 34a_100000211637_100015614560 [1,1,0,0,0,0|2,0,0]=4 9601 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)F 7a_100000211637_100015614560 [1,1,0,0,0,0|2,0,0]=4 9602 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)I 34a_100000184554_100015614560 [1,1,0,0,0,0|2,0,0]=4 9603 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)I 7a_100000184554_100015614560 [1,1,0,0,0,0|2,0,0]=4 9604 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)O 34a_100000756630_100015614560 [1,1,0,0,0,0|2,0,0]=4 9605 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)Br 34a_100000211769_100009815848 [1,1,0,0,0,0|1,0,0]=3 9606 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)Br 7a_100000211769_100009815848 [1,1,0,0,0,0|1,0,0]=3 9607 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)Cl 34a_100000210418_100009815848 [1,1,0,0,0,0|1,0,0]=3 9608 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)Cl 7a_100000210418_100009815848 [1,1,0,0,0,0|1,0,0]=3 9609 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)F 34a_100000211637_100009815848 [1,1,0,0,0,0|1,0,0]=3 9610 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)F 7a_100000211637_100009815848 [1,1,0,0,0,0|1,0,0]=3 9611 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)I 34a_100000184554_100009815848 [1,1,0,0,0,0|1,0,0]=3 9612 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)I 7a_100000184554_100009815848 [1,1,0,0,0,0|1,0,0]=3 9613 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)O 34a_100000756630_100009815848 [1,1,0,0,0,0|1,0,0]=3 9614 B14R1.727 Cc1cc(ccc1OCC(O)CO)Br 34a_100000186361_100011219619 [1,1,0,0,0,0|0,0,0]=2 9615 B14R1.727 Cc1cc(ccc1OCC(O)CO)Br 7a_100000186361_100011219619 [1,1,0,0,0,0|0,0,0]=2 9616 B14R1.727 Cc1cc(ccc1OCC(O)CO)Cl 34a_100000211091_100011219619 [1,1,0,0,0,0|0,0,0]=2 9617 B14R1.727 Cc1cc(ccc1OCC(O)CO)Cl 7a_100000211091_100011219619 [1,1,0,0,0,0|0,0,0]=2 9618 B14R1.727 Cc1cc(ccc1OCC(O)CO)F 34a_100000764316_100011219619 [1,1,0,0,0,0|0,0,0]=2 9619 B14R1.727 Cc1cc(ccc1OCC(O)CO)F 7a_100000764316_100011219619 [1,1,0,0,0,0|0,0,0]=2 9620 B14R1.727 Cc1cc(ccc1OCC(O)CO)I 34a_100011218673_100011219619 [1,1,0,0,0,0|0,0,0]=2 9621 B14R1.727 Cc1cc(ccc1OCC(O)CO)I 7a_100011218673_100011219619 [1,1,0,0,0,0|0,0,0]=2 9622 B14R1.727 Cc1cc(ccc1OCC(O)CO)N 34a_100011218179_100011219619 [1,1,0,0,0,0|0,0,0]=2 9623 B14R1.727 Cc1cc(ccc1OCC(O)CO)N 7a_100011218179_100011219619 [1,1,0,0,0,0|0,0,0]=2 9624 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)Br 34a_100000186361_100000059175 [1,1,0,0,0,0|1,0,0]=3 9625 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)Br 7a_100000186361_100000059175 [1,1,0,0,0,0|1,0,0]=3 9626 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)Cl 34a_100000211091_100000059175 [1,1,0,0,0,0|1,0,0]=3 9627 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)Cl 7a_100000211091_100000059175 [1,1,0,0,0,0|1,0,0]=3 9628 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)F 34a_100000764316_100000059175 [1,1,0,0,0,0|1,0,0]=3 9629 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)F 7a_100000764316_100000059175 [1,1,0,0,0,0|1,0,0]=3 9630 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)I 34a_100011218673_100000059175 [1,1,0,0,0,0|1,0,0]=3 9631 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)I 7a_100011218673_100000059175 [1,1,0,0,0,0|1,0,0]=3 9632 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)N 34a_100011218179_100000059175 [1,1,0,0,0,0|1,0,0]=3 9633 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)N 7a_100011218179_100000059175 [1,1,0,0,0,0|1,0,0]=3 9634 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)Br 34a_100000186361_100015614560 [1,1,0,0,0,0|1,0,0]=3 9635 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)Br 7a_100000186361_100015614560 [1,1,0,0,0,0|1,0,0]=3 9636 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)Cl 34a_100000211091_100015614560 [1,1,0,0,0,0|1,0,0]=3 9637 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)Cl 7a_100000211091_100015614560 [1,1,0,0,0,0|1,0,0]=3 9638 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)F 34a_100000764316_100015614560 [1,1,0,0,0,0|1,0,0]=3 9639 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)F 7a_100000764316_100015614560 [1,1,0,0,0,0|1,0,0]=3 9640 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)I 34a_100011218673_100015614560 [1,1,0,0,0,0|1,0,0]=3 9641 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)I 7a_100011218673_100015614560 [1,1,0,0,0,0|1,0,0]=3 9642 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)N 34a_100011218179_100015614560 [1,1,0,0,0,0|1,0,0]=3 9643 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)N 7a_100011218179_100015614560 [1,1,0,0,0,0|1,0,0]=3 9644 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)Br 34a_100000186361_100009815848 [1,1,0,0,0,0|0,0,0]=2 9645 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)Br 7a_100000186361_100009815848 [1,1,0,0,0,0|0,0,0]=2 9646 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)Cl 34a_100000211091_100009815848 [1,1,0,0,0,0|0,0,0]=2 9647 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)Cl 7a_100000211091_100009815848 [1,1,0,0,0,0|0,0,0]=2 9648 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)F 34a_100000764316_100009815848 [1,1,0,0,0,0|0,0,0]=2 9649 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)F 7a_100000764316_100009815848 [1,1,0,0,0,0|0,0,0]=2 9650 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)I 34a_100011218673_100009815848 [1,1,0,0,0,0|0,0,0]=2 9651 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)I 7a_100011218673_100009815848 [1,1,0,0,0,0|0,0,0]=2 9652 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)N 34a_100011218179_100009815848 [1,1,0,0,0,0|0,0,0]=2 9653 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)N 7a_100011218179_100009815848 [1,1,0,0,0,0|0,0,0]=2 9654 B14R1.727 Cc1cc(ccc1SCC(O)CO)Br 62a_100000701812_100011219619 [1,1,0,0,0,0|0,1,0]=3 9655 B14R1.727 Cc1cc(ccc1SCC(O)CO)Br 62a_100011219619_100000701812 [1,1,0,0,0,0|0,1,0]=3 9656 B14R1.727 Cc1cc(ccc1SCC(O)CO)Cl 62a_100011219607_100011219619 [1,1,0,0,0,0|0,1,0]=3 9657 B14R1.727 Cc1cc(ccc1SCC(O)CO)Cl 62a_100011219619_100011219607 [1,1,0,0,0,0|0,1,0]=3 9658 B14R1.727 Cc1cc(ccc1SCC(O)CO)F 62a_100011205405_100011219619 [1,1,0,0,0,0|0,1,0]=3 9659 B14R1.727 Cc1cc(ccc1SCC(O)CO)F 62a_100011219619_100011205405 [1,1,0,0,0,0|0,1,0]=3 9660 B14R1.727 Cc1cc(ccc1SCC(O)CO)N 62a_100000210723_100011219619 [1,1,0,0,0,0|0,1,0]=3 9661 B14R1.727 Cc1cc(ccc1SCC(O)CO)N 62a_100011219619_100000210723 [1,1,0,0,0,0|0,1,0]=3 9662 B14R1.727 Cc1cc(ccc1SCC(O)CO)O 62a_100011219619_100000690111 [1,1,0,0,0,0|0,1,0]=3 9663 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)Br 62a_100000059175_100000701812 [1,1,0,0,0,0|1,1,0]=4 9664 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)Br 62a_100000701812_100000059175 [1,1,0,0,0,0|1,1,0]=4 9665 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)Cl 62a_100000059175_100011219607 [1,1,0,0,0,0|1,1,0]=4 9666 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)Cl 62a_100011219607_100000059175 [1,1,0,0,0,0|1,1,0]=4 9667 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)F 62a_100000059175_100011205405 [1,1,0,0,0,0|1,1,0]=4 9668 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)F 62a_100011205405_100000059175 [1,1,0,0,0,0|1,1,0]=4 9669 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)N 62a_100000059175_100000210723 [1,1,0,0,0,0|1,1,0]=4 9670 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)N 62a_100000210723_100000059175 [1,1,0,0,0,0|1,1,0]=4 9671 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)O 62a_100000059175_100000690111 [1,1,0,0,0,0|1,1,0]=4 9672 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)Br 62a_100000701812_100015614560 [1,1,0,0,0,0|1,1,0]=4 9673 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)Br 62a_100015614560_100000701812 [1,1,0,0,0,0|1,1,0]=4 9674 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)Cl 62a_100011219607_100015614560 [1,1,0,0,0,0|1,1,0]=4 9675 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)Cl 62a_100015614560_100011219607 [1,1,0,0,0,0|1,1,0]=4 9676 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)F 62a_100011205405_100015614560 [1,1,0,0,0,0|1,1,0]=4 9677 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)F 62a_100015614560_100011205405 [1,1,0,0,0,0|1,1,0]=4 9678 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)N 62a_100000210723_100015614560 [1,1,0,0,0,0|1,1,0]=4 9679 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)N 62a_100015614560_100000210723 [1,1,0,0,0,0|1,1,0]=4 9680 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)O 62a_100015614560_100000690111 [1,1,0,0,0,0|1,1,0]=4 9681 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)Br 62a_100000701812_100009815848 [1,1,0,0,0,0|0,1,0]=3 9682 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)Br 62a_100009815848_100000701812 [1,1,0,0,0,0|0,1,0]=3 9683 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100009815848_100011219607 [1,1,0,0,0,0|0,1,0]=3 9684 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100011219607_100009815848 [1,1,0,0,0,0|0,1,0]=3 9685 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100011205405 [1,1,0,0,0,0|0,1,0]=3 9686 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)F 62a_100011205405_100009815848 [1,1,0,0,0,0|0,1,0]=3 9687 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)N 62a_100000210723_100009815848 [1,1,0,0,0,0|0,1,0]=3 9688 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)N 62a_100009815848_100000210723 [1,1,0,0,0,0|0,1,0]=3 9689 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)O 62a_100009815848_100000690111 [1,1,0,0,0,0|0,1,0]=3 9690 B14R1.727 Cc1cc(cnc1OCC(O)CO)Br 34a_100000685391_100011219619 [1,1,0,0,0,0|1,0,0]=3 9691 B14R1.727 Cc1cc(cnc1OC[C@@H](C)CO)Br 34a_100000685391_100000059175 [1,1,0,0,0,0|2,0,0]=4 9692 B14R1.727 Cc1cc(cnc1OC[C@@H](O)CF)Br 34a_100000685391_100015614560 [1,1,0,0,0,0|2,0,0]=4 9693 B14R1.727 Cc1cc(cnc1OC[C@@H](O)CO)Br 34a_100000685391_100009815848 [1,1,0,0,0,0|1,0,0]=3 9694 B14R1.727 Cc1cc(cnc1SCC(O)CO)Br 62a_100011219619_100012353652 [1,1,0,0,0,0|1,1,0]=4 9695 B14R1.727 Cc1cc(cnc1SCC(O)CO)Br 62a_100012353652_100011219619 [1,1,0,0,0,0|1,1,0]=4 9696 B14R1.727 Cc1cc(cnc1SCC(O)CO)F 62a_100009817009_100011219619 [1,1,0,0,0,0|1,1,0]=4 9697 B14R1.727 Cc1cc(cnc1SCC(O)CO)F 62a_100011219619_100009817009 [1,1,0,0,0,0|1,1,0]=4 9698 B14R1.727 Cc1cc(cnc1SCC(O)CO)N 62a_100000761747_100011219619 [1,1,0,0,0,0|1,1,0]=4 9699 B14R1.727 Cc1cc(cnc1SCC(O)CO)N 62a_100011219619_100000761747 [1,1,0,0,0,0|1,1,0]=4 9700 B14R1.727 Cc1cc(cnc1SCC(O)CO)O 62a_100011219619_100012000486 [1,1,0,0,0,0|1,1,0]=4 9701 B14R1.727 Cc1cc(cnc1SCC(O)CO)O 62a_100012000486_100011219619 [1,1,0,0,0,0|1,1,0]=4 9702 B14R1.727 Cc1cc(cnc1SC[C@@H](O)CO)Br 62a_100009815848_100012353652 [1,1,0,0,0,0|1,1,0]=4 9703 B14R1.727 Cc1cc(cnc1SC[C@@H](O)CO)Br 62a_100012353652_100009815848 [1,1,0,0,0,0|1,1,0]=4 9704 B14R1.727 Cc1cc(cnc1SC[C@@H](O)CO)F 62a_100009815848_100009817009 [1,1,0,0,0,0|1,1,0]=4 9705 B14R1.727 Cc1cc(cnc1SC[C@@H](O)CO)F 62a_100009817009_100009815848 [1,1,0,0,0,0|1,1,0]=4 9706 B14R1.727 Cc1cc(cnc1SC[C@@H](O)CO)N 62a_100000761747_100009815848 [1,1,0,0,0,0|1,1,0]=4 9707 B14R1.727 Cc1cc(cnc1SC[C@@H](O)CO)N 62a_100009815848_100000761747 [1,1,0,0,0,0|1,1,0]=4 9708 B14R1.727 Cc1cc(cnc1SC[C@@H](O)CO)O 62a_100009815848_100012000486 [1,1,0,0,0,0|1,1,0]=4 9709 B14R1.727 Cc1cc(cnc1SC[C@@H](O)CO)O 62a_100012000486_100009815848 [1,1,0,0,0,0|1,1,0]=4 9710 B14R1.727 Cc1cc(ncc1OCC(O)CO)Cl 34a_100000692680_100011219619 [1,1,0,0,0,0|1,0,0]=3 9711 B14R1.727 Cc1cc(ncc1OCC(O)CO)Cl 7a_100000692680_100011219619 [1,1,0,0,0,0|1,0,0]=3 9712 B14R1.727 Cc1cc(ncc1OCC(O)CO)F 34a_100009856773_100011219619 [1,1,0,0,0,0|1,0,0]=3 9713 B14R1.727 Cc1cc(ncc1OCC(O)CO)F 7a_100009856773_100011219619 [1,1,0,0,0,0|1,0,0]=3 9714 B14R1.727 Cc1cc(ncc1OC[C@@H](C)CO)Cl 34a_100000692680_100000059175 [1,1,0,0,0,0|2,0,0]=4 9715 B14R1.727 Cc1cc(ncc1OC[C@@H](C)CO)Cl 7a_100000692680_100000059175 [1,1,0,0,0,0|2,0,0]=4 9716 B14R1.727 Cc1cc(ncc1OC[C@@H](C)CO)F 34a_100009856773_100000059175 [1,1,0,0,0,0|2,0,0]=4 9717 B14R1.727 Cc1cc(ncc1OC[C@@H](C)CO)F 7a_100009856773_100000059175 [1,1,0,0,0,0|2,0,0]=4 9718 B14R1.727 Cc1cc(ncc1OC[C@@H](O)CF)Cl 34a_100000692680_100015614560 [1,1,0,0,0,0|2,0,0]=4 9719 B14R1.727 Cc1cc(ncc1OC[C@@H](O)CF)Cl 7a_100000692680_100015614560 [1,1,0,0,0,0|2,0,0]=4 9720 B14R1.727 Cc1cc(ncc1OC[C@@H](O)CF)F 34a_100009856773_100015614560 [1,1,0,0,0,0|2,0,0]=4 9721 B14R1.727 Cc1cc(ncc1OC[C@@H](O)CF)F 7a_100009856773_100015614560 [1,1,0,0,0,0|2,0,0]=4 9722 B14R1.727 Cc1cc(ncc1OC[C@@H](O)CO)Cl 34a_100000692680_100009815848 [1,1,0,0,0,0|1,0,0]=3 9723 B14R1.727 Cc1cc(ncc1OC[C@@H](O)CO)Cl 7a_100000692680_100009815848 [1,1,0,0,0,0|1,0,0]=3 9724 B14R1.727 Cc1cc(ncc1OC[C@@H](O)CO)F 34a_100009856773_100009815848 [1,1,0,0,0,0|1,0,0]=3 9725 B14R1.727 Cc1cc(ncc1OC[C@@H](O)CO)F 7a_100009856773_100009815848 [1,1,0,0,0,0|1,0,0]=3 9726 B14R1.727 Cc1cc(ncc1SCC(O)CO)Br 62a_100009816104_100011219619 [1,1,0,0,0,0|1,1,0]=4 9727 B14R1.727 Cc1cc(ncc1SCC(O)CO)Br 62a_100011219619_100009816104 [1,1,0,0,0,0|1,1,0]=4 9728 B14R1.727 Cc1cc(ncc1SCC(O)CO)Cl 62a_100010172789_100011219619 [1,1,0,0,0,0|1,1,0]=4 9729 B14R1.727 Cc1cc(ncc1SCC(O)CO)Cl 62a_100011219619_100010172789 [1,1,0,0,0,0|1,1,0]=4 9730 B14R1.727 Cc1cc(ncc1SCC(O)CO)F 62a_100009820716_100011219619 [1,1,0,0,0,0|1,1,0]=4 9731 B14R1.727 Cc1cc(ncc1SCC(O)CO)F 62a_100011219619_100009820716 [1,1,0,0,0,0|1,1,0]=4 9732 B14R1.727 Cc1cc(ncc1SCC(O)CO)N 62a_100000050067_100011219619 [1,1,0,0,0,0|1,1,0]=4 9733 B14R1.727 Cc1cc(ncc1SCC(O)CO)N 62a_100011219619_100000050067 [1,1,0,0,0,0|1,1,0]=4 9734 B14R1.727 Cc1cc(ncc1SCC(O)CO)O 62a_100000766222_100011219619 [1,1,0,0,0,0|1,1,0]=4 9735 B14R1.727 Cc1cc(ncc1SCC(O)CO)O 62a_100011219619_100000766222 [1,1,0,0,0,0|1,1,0]=4 9736 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)Br 62a_100009815848_100009816104 [1,1,0,0,0,0|1,1,0]=4 9737 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)Br 62a_100009816104_100009815848 [1,1,0,0,0,0|1,1,0]=4 9738 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)Cl 62a_100009815848_100010172789 [1,1,0,0,0,0|1,1,0]=4 9739 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)Cl 62a_100010172789_100009815848 [1,1,0,0,0,0|1,1,0]=4 9740 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)F 62a_100009815848_100009820716 [1,1,0,0,0,0|1,1,0]=4 9741 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)F 62a_100009820716_100009815848 [1,1,0,0,0,0|1,1,0]=4 9742 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)N 62a_100000050067_100009815848 [1,1,0,0,0,0|1,1,0]=4 9743 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)N 62a_100009815848_100000050067 [1,1,0,0,0,0|1,1,0]=4 9744 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)O 62a_100000766222_100009815848 [1,1,0,0,0,0|1,1,0]=4 9745 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)O 62a_100009815848_100000766222 [1,1,0,0,0,0|1,1,0]=4 9746 B14R1.727 Cc1ccc(c(c1)Br)NCC(O)CO 34a_100000210942_100011219619 [1,1,0,0,0,0|2,0,0]=4 9747 B14R1.727 Cc1ccc(c(c1)Br)NC[C@@H](O)CO 34a_100000210942_100009815848 [1,1,0,0,0,0|2,0,0]=4 9748 B14R1.727 Cc1ccc(c(c1)Br)OCC(O)CO 34a_100000210800_100011219619 [1,1,0,0,0,0|1,0,0]=3 9749 B14R1.727 Cc1ccc(c(c1)Br)OCC(O)CO 7a_100000210800_100011219619 [1,1,0,0,0,0|1,0,0]=3 9750 B14R1.727 Cc1ccc(c(c1)Br)OC[C@@H](C)CO 34a_100000210800_100000059175 [1,1,0,0,0,0|2,0,0]=4 9751 B14R1.727 Cc1ccc(c(c1)Br)OC[C@@H](C)CO 7a_100000210800_100000059175 [1,1,0,0,0,0|2,0,0]=4 9752 B14R1.727 Cc1ccc(c(c1)Br)OC[C@@H](O)CF 34a_100000210800_100015614560 [1,1,0,0,0,0|2,0,0]=4 9753 B14R1.727 Cc1ccc(c(c1)Br)OC[C@@H](O)CF 7a_100000210800_100015614560 [1,1,0,0,0,0|2,0,0]=4 9754 B14R1.727 Cc1ccc(c(c1)Br)OC[C@@H](O)CO 34a_100000210800_100009815848 [1,1,0,0,0,0|1,0,0]=3 9755 B14R1.727 Cc1ccc(c(c1)Br)OC[C@@H](O)CO 7a_100000210800_100009815848 [1,1,0,0,0,0|1,0,0]=3 9756 B14R1.727 Cc1ccc(c(c1)Br)SCC(O)CO 62a_100009813563_100011219619 [1,1,0,0,0,0|1,1,0]=4 9757 B14R1.727 Cc1ccc(c(c1)Br)SCC(O)CO 62a_100011219619_100009813563 [1,1,0,0,0,0|1,1,0]=4 9758 B14R1.727 Cc1ccc(c(c1)Br)SC[C@@H](O)CO 62a_100009813563_100009815848 [1,1,0,0,0,0|1,1,0]=4 9759 B14R1.727 Cc1ccc(c(c1)Br)SC[C@@H](O)CO 62a_100009815848_100009813563 [1,1,0,0,0,0|1,1,0]=4 9760 B14R1.727 Cc1ccc(c(c1)C)NCC(O)CO 34a_100000736561_100011219619 [1,1,0,0,0,0|1,0,0]=3 9761 B14R1.727 Cc1ccc(c(c1)C)NCC(O)CO 7a_100000736561_100011219619 [1,1,0,0,0,0|1,0,0]=3 9762 B14R1.727 Cc1ccc(c(c1)C)NC[C@@H](C)CO 34a_100000736561_100000059175 [1,1,0,0,0,0|2,0,0]=4 9763 B14R1.727 Cc1ccc(c(c1)C)NC[C@@H](C)CO 7a_100000736561_100000059175 [1,1,0,0,0,0|2,0,0]=4 9764 B14R1.727 Cc1ccc(c(c1)C)NC[C@@H](O)CF 34a_100000736561_100015614560 [1,1,0,0,0,0|2,0,0]=4 9765 B14R1.727 Cc1ccc(c(c1)C)NC[C@@H](O)CF 7a_100000736561_100015614560 [1,1,0,0,0,0|2,0,0]=4 9766 B14R1.727 Cc1ccc(c(c1)C)NC[C@@H](O)CO 34a_100000736561_100009815848 [1,1,0,0,0,0|1,0,0]=3 9767 B14R1.727 Cc1ccc(c(c1)C)NC[C@@H](O)CO 7a_100000736561_100009815848 [1,1,0,0,0,0|1,0,0]=3 9768 B14R1.727 Cc1ccc(c(c1)C)OCC(O)CO 34a_100000211776_100011219619 [1,1,0,0,0,0|0,0,0]=2 9769 B14R1.727 Cc1ccc(c(c1)C)OCC(O)CO 7a_100000211776_100011219619 [1,1,0,0,0,0|0,0,0]=2 9770 B14R1.727 Cc1ccc(c(c1)C)OC[C@@H](C)CO 34a_100000211776_100000059175 [1,1,0,0,0,0|1,0,0]=3 9771 B14R1.727 Cc1ccc(c(c1)C)OC[C@@H](C)CO 7a_100000211776_100000059175 [1,1,0,0,0,0|1,0,0]=3 9772 B14R1.727 Cc1ccc(c(c1)C)OC[C@@H](O)CF 34a_100000211776_100015614560 [1,1,0,0,0,0|1,0,0]=3 9773 B14R1.727 Cc1ccc(c(c1)C)OC[C@@H](O)CF 7a_100000211776_100015614560 [1,1,0,0,0,0|1,0,0]=3 9774 B14R1.727 Cc1ccc(c(c1)C)OC[C@@H](O)CO 34a_100000211776_100009815848 [1,1,0,0,0,0|0,0,0]=2 9775 B14R1.727 Cc1ccc(c(c1)C)OC[C@@H](O)CO 7a_100000211776_100009815848 [1,1,0,0,0,0|0,0,0]=2 9776 B14R1.727 Cc1ccc(c(c1)C)SCC(O)CO 62a_100011217332_100011219619 [1,1,0,0,0,0|0,1,0]=3 9777 B14R1.727 Cc1ccc(c(c1)C)SCC(O)CO 62a_100011219619_100011217332 [1,1,0,0,0,0|0,1,0]=3 9778 B14R1.727 Cc1ccc(c(c1)C)SC[C@@H](C)CO 62a_100000059175_100011217332 [1,1,0,0,0,0|1,1,0]=4 9779 B14R1.727 Cc1ccc(c(c1)C)SC[C@@H](C)CO 62a_100011217332_100000059175 [1,1,0,0,0,0|1,1,0]=4 9780 B14R1.727 Cc1ccc(c(c1)C)SC[C@@H](O)CF 62a_100011217332_100015614560 [1,1,0,0,0,0|1,1,0]=4 9781 B14R1.727 Cc1ccc(c(c1)C)SC[C@@H](O)CF 62a_100015614560_100011217332 [1,1,0,0,0,0|1,1,0]=4 9782 B14R1.727 Cc1ccc(c(c1)C)SC[C@@H](O)CO 62a_100009815848_100011217332 [1,1,0,0,0,0|0,1,0]=3 9783 B14R1.727 Cc1ccc(c(c1)C)SC[C@@H](O)CO 62a_100011217332_100009815848 [1,1,0,0,0,0|0,1,0]=3 9784 B14R1.727 Cc1ccc(c(c1)Cl)NCC(O)CO 34a_100000210522_100011219619 [1,1,0,0,0,0|2,0,0]=4 9785 B14R1.727 Cc1ccc(c(c1)Cl)NC[C@@H](O)CO 34a_100000210522_100009815848 [1,1,0,0,0,0|2,0,0]=4 9786 B14R1.727 Cc1ccc(c(c1)Cl)OCC(O)CO 34a_100000749699_100011219619 [1,1,0,0,0,0|1,0,0]=3 9787 B14R1.727 Cc1ccc(c(c1)Cl)OCC(O)CO 7a_100000749699_100011219619 [1,1,0,0,0,0|1,0,0]=3 9788 B14R1.727 Cc1ccc(c(c1)Cl)OC[C@@H](C)CO 34a_100000749699_100000059175 [1,1,0,0,0,0|2,0,0]=4 9789 B14R1.727 Cc1ccc(c(c1)Cl)OC[C@@H](C)CO 7a_100000749699_100000059175 [1,1,0,0,0,0|2,0,0]=4 9790 B14R1.727 Cc1ccc(c(c1)Cl)OC[C@@H](O)CF 34a_100000749699_100015614560 [1,1,0,0,0,0|2,0,0]=4 9791 B14R1.727 Cc1ccc(c(c1)Cl)OC[C@@H](O)CF 7a_100000749699_100015614560 [1,1,0,0,0,0|2,0,0]=4 9792 B14R1.727 Cc1ccc(c(c1)Cl)OC[C@@H](O)CO 34a_100000749699_100009815848 [1,1,0,0,0,0|1,0,0]=3 9793 B14R1.727 Cc1ccc(c(c1)Cl)OC[C@@H](O)CO 7a_100000749699_100009815848 [1,1,0,0,0,0|1,0,0]=3 9794 B14R1.727 Cc1ccc(c(c1)Cl)SCC(O)CO 62a_100011219619_100011263221 [1,1,0,0,0,0|1,1,0]=4 9795 B14R1.727 Cc1ccc(c(c1)Cl)SCC(O)CO 62a_100011263221_100011219619 [1,1,0,0,0,0|1,1,0]=4 9796 B14R1.727 Cc1ccc(c(c1)Cl)SC[C@@H](O)CO 62a_100009815848_100011263221 [1,1,0,0,0,0|1,1,0]=4 9797 B14R1.727 Cc1ccc(c(c1)Cl)SC[C@@H](O)CO 62a_100011263221_100009815848 [1,1,0,0,0,0|1,1,0]=4 9798 B14R1.727 Cc1ccc(c(c1)F)NCC(O)CO 34a_100000211023_100011219619 [1,1,0,0,0,0|2,0,0]=4 9799 B14R1.727 Cc1ccc(c(c1)F)NC[C@@H](O)CO 34a_100000211023_100009815848 [1,1,0,0,0,0|2,0,0]=4 9800 B14R1.727 Cc1ccc(c(c1)F)OCC(O)CO 34a_100011216688_100011219619 [1,1,0,0,0,0|1,0,0]=3 9801 B14R1.727 Cc1ccc(c(c1)F)OCC(O)CO 7a_100011216688_100011219619 [1,1,0,0,0,0|1,0,0]=3 9802 B14R1.727 Cc1ccc(c(c1)F)OC[C@@H](C)CO 34a_100011216688_100000059175 [1,1,0,0,0,0|2,0,0]=4 9803 B14R1.727 Cc1ccc(c(c1)F)OC[C@@H](C)CO 7a_100011216688_100000059175 [1,1,0,0,0,0|2,0,0]=4 9804 B14R1.727 Cc1ccc(c(c1)F)OC[C@@H](O)CF 34a_100011216688_100015614560 [1,1,0,0,0,0|2,0,0]=4 9805 B14R1.727 Cc1ccc(c(c1)F)OC[C@@H](O)CF 7a_100011216688_100015614560 [1,1,0,0,0,0|2,0,0]=4 9806 B14R1.727 Cc1ccc(c(c1)F)OC[C@@H](O)CO 34a_100011216688_100009815848 [1,1,0,0,0,0|1,0,0]=3 9807 B14R1.727 Cc1ccc(c(c1)F)OC[C@@H](O)CO 7a_100011216688_100009815848 [1,1,0,0,0,0|1,0,0]=3 9808 B14R1.727 Cc1ccc(c(c1)F)SCC(O)CO 62a_100011216119_100011219619 [1,1,0,0,0,0|1,1,0]=4 9809 B14R1.727 Cc1ccc(c(c1)F)SCC(O)CO 62a_100011219619_100011216119 [1,1,0,0,0,0|1,1,0]=4 9810 B14R1.727 Cc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100009815848_100011216119 [1,1,0,0,0,0|1,1,0]=4 9811 B14R1.727 Cc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100011216119_100009815848 [1,1,0,0,0,0|1,1,0]=4 9812 B14R1.727 Cc1ccc(c(c1)I)NCC(O)CO 34a_100011356834_100011219619 [1,1,0,0,0,0|2,0,0]=4 9813 B14R1.727 Cc1ccc(c(c1)I)NC[C@@H](O)CO 34a_100011356834_100009815848 [1,1,0,0,0,0|2,0,0]=4 9814 B14R1.727 Cc1ccc(c(c1)I)OCC(O)CO 34a_100000765521_100011219619 [1,1,0,0,0,0|1,0,0]=3 9815 B14R1.727 Cc1ccc(c(c1)I)OCC(O)CO 7a_100000765521_100011219619 [1,1,0,0,0,0|1,0,0]=3 9816 B14R1.727 Cc1ccc(c(c1)I)OC[C@@H](C)CO 34a_100000765521_100000059175 [1,1,0,0,0,0|2,0,0]=4 9817 B14R1.727 Cc1ccc(c(c1)I)OC[C@@H](C)CO 7a_100000765521_100000059175 [1,1,0,0,0,0|2,0,0]=4 9818 B14R1.727 Cc1ccc(c(c1)I)OC[C@@H](O)CF 34a_100000765521_100015614560 [1,1,0,0,0,0|2,0,0]=4 9819 B14R1.727 Cc1ccc(c(c1)I)OC[C@@H](O)CF 7a_100000765521_100015614560 [1,1,0,0,0,0|2,0,0]=4 9820 B14R1.727 Cc1ccc(c(c1)I)OC[C@@H](O)CO 34a_100000765521_100009815848 [1,1,0,0,0,0|1,0,0]=3 9821 B14R1.727 Cc1ccc(c(c1)I)OC[C@@H](O)CO 7a_100000765521_100009815848 [1,1,0,0,0,0|1,0,0]=3 9822 B14R1.727 Cc1ccc(c(c1)N)OCC(O)CO 34a_100011215204_100011219619 [1,1,0,0,0,0|1,0,0]=3 9823 B14R1.727 Cc1ccc(c(c1)N)OCC(O)CO 7a_100011215204_100011219619 [1,1,0,0,0,0|1,0,0]=3 9824 B14R1.727 Cc1ccc(c(c1)N)OC[C@@H](C)CO 34a_100011215204_100000059175 [1,1,0,0,0,0|2,0,0]=4 9825 B14R1.727 Cc1ccc(c(c1)N)OC[C@@H](C)CO 7a_100011215204_100000059175 [1,1,0,0,0,0|2,0,0]=4 9826 B14R1.727 Cc1ccc(c(c1)N)OC[C@@H](O)CF 34a_100011215204_100015614560 [1,1,0,0,0,0|2,0,0]=4 9827 B14R1.727 Cc1ccc(c(c1)N)OC[C@@H](O)CF 7a_100011215204_100015614560 [1,1,0,0,0,0|2,0,0]=4 9828 B14R1.727 Cc1ccc(c(c1)N)OC[C@@H](O)CO 34a_100011215204_100009815848 [1,1,0,0,0,0|1,0,0]=3 9829 B14R1.727 Cc1ccc(c(c1)N)OC[C@@H](O)CO 7a_100011215204_100009815848 [1,1,0,0,0,0|1,0,0]=3 9830 B14R1.727 Cc1ccc(c(c1)N)SCC(O)CO 62a_100011216686_100011219619 [1,1,0,0,0,0|1,1,0]=4 9831 B14R1.727 Cc1ccc(c(c1)N)SCC(O)CO 62a_100011219619_100011216686 [1,1,0,0,0,0|1,1,0]=4 9832 B14R1.727 Cc1ccc(c(c1)N)SC[C@@H](O)CO 62a_100009815848_100011216686 [1,1,0,0,0,0|1,1,0]=4 9833 B14R1.727 Cc1ccc(c(c1)N)SC[C@@H](O)CO 62a_100011216686_100009815848 [1,1,0,0,0,0|1,1,0]=4 9834 B14R1.727 Cc1ccc(c(c1)O)NCC(O)CO 34a_100000211527_100011219619 [1,1,0,0,0,0|1,0,0]=3 9835 B14R1.727 Cc1ccc(c(c1)O)NC[C@@H](C)CO 34a_100000211527_100000059175 [1,1,0,0,0,0|2,0,0]=4 9836 B14R1.727 Cc1ccc(c(c1)O)NC[C@@H](O)CF 34a_100000211527_100015614560 [1,1,0,0,0,0|2,0,0]=4 9837 B14R1.727 Cc1ccc(c(c1)O)NC[C@@H](O)CO 34a_100000211527_100009815848 [1,1,0,0,0,0|1,0,0]=3 9838 B14R1.727 Cc1ccc(c(c1)O)SCC(O)CO 62a_100011219619_100012002257 [1,1,0,0,0,0|0,1,0]=3 9839 B14R1.727 Cc1ccc(c(c1)O)SCC(O)CO 62a_100012002257_100011219619 [1,1,0,0,0,0|0,1,0]=3 9840 B14R1.727 Cc1ccc(c(c1)O)SC[C@@H](C)CO 62a_100000059175_100012002257 [1,1,0,0,0,0|1,1,0]=4 9841 B14R1.727 Cc1ccc(c(c1)O)SC[C@@H](C)CO 62a_100012002257_100000059175 [1,1,0,0,0,0|1,1,0]=4 9842 B14R1.727 Cc1ccc(c(c1)O)SC[C@@H](O)CF 62a_100012002257_100015614560 [1,1,0,0,0,0|1,1,0]=4 9843 B14R1.727 Cc1ccc(c(c1)O)SC[C@@H](O)CF 62a_100015614560_100012002257 [1,1,0,0,0,0|1,1,0]=4 9844 B14R1.727 Cc1ccc(c(c1)O)SC[C@@H](O)CO 62a_100009815848_100012002257 [1,1,0,0,0,0|0,1,0]=3 9845 B14R1.727 Cc1ccc(c(c1)O)SC[C@@H](O)CO 62a_100012002257_100009815848 [1,1,0,0,0,0|0,1,0]=3 9846 B14R1.727 Cc1ccc(c(n1)Br)OCC(O)CO 34a_100000702858_100011219619 [1,1,0,0,0,0|2,0,0]=4 9847 B14R1.727 Cc1ccc(c(n1)Br)OCC(O)CO 7a_100000702858_100011219619 [1,1,0,0,0,0|2,0,0]=4 9848 B14R1.727 Cc1ccc(c(n1)Br)OC[C@@H](O)CO 34a_100000702858_100009815848 [1,1,0,0,0,0|2,0,0]=4 9849 B14R1.727 Cc1ccc(c(n1)Br)OC[C@@H](O)CO 7a_100000702858_100009815848 [1,1,0,0,0,0|2,0,0]=4 9850 B14R1.727 Cc1ccc(c(n1)C)OCC(O)CO 34a_100011218912_100011219619 [1,1,0,0,0,0|1,0,0]=3 9851 B14R1.727 Cc1ccc(c(n1)C)OCC(O)CO 7a_100011218912_100011219619 [1,1,0,0,0,0|1,0,0]=3 9852 B14R1.727 Cc1ccc(c(n1)C)OC[C@@H](C)CO 34a_100011218912_100000059175 [1,1,0,0,0,0|2,0,0]=4 9853 B14R1.727 Cc1ccc(c(n1)C)OC[C@@H](C)CO 7a_100011218912_100000059175 [1,1,0,0,0,0|2,0,0]=4 9854 B14R1.727 Cc1ccc(c(n1)C)OC[C@@H](O)CF 34a_100011218912_100015614560 [1,1,0,0,0,0|2,0,0]=4 9855 B14R1.727 Cc1ccc(c(n1)C)OC[C@@H](O)CF 7a_100011218912_100015614560 [1,1,0,0,0,0|2,0,0]=4 9856 B14R1.727 Cc1ccc(c(n1)C)OC[C@@H](O)CO 34a_100011218912_100009815848 [1,1,0,0,0,0|1,0,0]=3 9857 B14R1.727 Cc1ccc(c(n1)C)OC[C@@H](O)CO 7a_100011218912_100009815848 [1,1,0,0,0,0|1,0,0]=3 9858 B14R1.727 Cc1ccc(c(n1)C)SCC(O)CO 62a_100009813853_100011219619 [1,1,0,0,0,0|1,1,0]=4 9859 B14R1.727 Cc1ccc(c(n1)C)SCC(O)CO 62a_100011219619_100009813853 [1,1,0,0,0,0|1,1,0]=4 9860 B14R1.727 Cc1ccc(c(n1)C)SC[C@@H](O)CO 62a_100009813853_100009815848 [1,1,0,0,0,0|1,1,0]=4 9861 B14R1.727 Cc1ccc(c(n1)C)SC[C@@H](O)CO 62a_100009815848_100009813853 [1,1,0,0,0,0|1,1,0]=4 9862 B14R1.727 Cc1ccc(c(n1)Cl)OCC(O)CO 34a_100000086286_100011219619 [1,1,0,0,0,0|2,0,0]=4 9863 B14R1.727 Cc1ccc(c(n1)Cl)OCC(O)CO 7a_100000086286_100011219619 [1,1,0,0,0,0|2,0,0]=4 9864 B14R1.727 Cc1ccc(c(n1)Cl)OC[C@@H](O)CO 34a_100000086286_100009815848 [1,1,0,0,0,0|2,0,0]=4 9865 B14R1.727 Cc1ccc(c(n1)Cl)OC[C@@H](O)CO 7a_100000086286_100009815848 [1,1,0,0,0,0|2,0,0]=4 9866 B14R1.727 Cc1ccc(c(n1)F)OCC(O)CO 34a_100000079963_100011219619 [1,1,0,0,0,0|2,0,0]=4 9867 B14R1.727 Cc1ccc(c(n1)F)OCC(O)CO 7a_100000079963_100011219619 [1,1,0,0,0,0|2,0,0]=4 9868 B14R1.727 Cc1ccc(c(n1)F)OC[C@@H](O)CO 34a_100000079963_100009815848 [1,1,0,0,0,0|2,0,0]=4 9869 B14R1.727 Cc1ccc(c(n1)F)OC[C@@H](O)CO 7a_100000079963_100009815848 [1,1,0,0,0,0|2,0,0]=4 9870 B14R1.727 Cc1ccc(c(n1)I)OCC(O)CO 34a_100000023897_100011219619 [1,1,0,0,0,0|2,0,0]=4 9871 B14R1.727 Cc1ccc(c(n1)I)OCC(O)CO 7a_100000023897_100011219619 [1,1,0,0,0,0|2,0,0]=4 9872 B14R1.727 Cc1ccc(c(n1)I)OC[C@@H](O)CO 34a_100000023897_100009815848 [1,1,0,0,0,0|2,0,0]=4 9873 B14R1.727 Cc1ccc(c(n1)I)OC[C@@H](O)CO 7a_100000023897_100009815848 [1,1,0,0,0,0|2,0,0]=4 9874 B14R1.727 Cc1ccc(c(n1)N)OCC(O)CO 34a_100000694039_100011219619 [1,1,0,0,0,0|2,0,0]=4 9875 B14R1.727 Cc1ccc(c(n1)N)OCC(O)CO 7a_100000694039_100011219619 [1,1,0,0,0,0|2,0,0]=4 9876 B14R1.727 Cc1ccc(c(n1)N)OC[C@@H](O)CO 34a_100000694039_100009815848 [1,1,0,0,0,0|2,0,0]=4 9877 B14R1.727 Cc1ccc(c(n1)N)OC[C@@H](O)CO 7a_100000694039_100009815848 [1,1,0,0,0,0|2,0,0]=4 9878 B14R1.727 Cc1ccc(c(n1)O)SCC(O)CO 62a_100009817604_100011219619 [1,1,0,0,0,0|1,1,0]=4 9879 B14R1.727 Cc1ccc(c(n1)O)SCC(O)CO 62a_100011219619_100009817604 [1,1,0,0,0,0|1,1,0]=4 9880 B14R1.727 Cc1ccc(c(n1)O)SC[C@@H](O)CO 62a_100009815848_100009817604 [1,1,0,0,0,0|1,1,0]=4 9881 B14R1.727 Cc1ccc(c(n1)O)SC[C@@H](O)CO 62a_100009817604_100009815848 [1,1,0,0,0,0|1,1,0]=4 9882 B14R1.727 Cc1cnc(c(c1)Br)OCC(O)CO 34a_100000719714_100011219619 [1,1,0,0,0,0|2,0,0]=4 9883 B14R1.727 Cc1cnc(c(c1)Br)OC[C@@H](O)CO 34a_100000719714_100009815848 [1,1,0,0,0,0|2,0,0]=4 9884 B14R1.727 Cc1cnc(c(c1)C)SCC(O)CO 62a_100009864548_100011219619 [1,1,0,0,0,0|1,1,0]=4 9885 B14R1.727 Cc1cnc(c(c1)C)SCC(O)CO 62a_100011219619_100009864548 [1,1,0,0,0,0|1,1,0]=4 9886 B14R1.727 Cc1cnc(c(c1)C)SC[C@@H](O)CO 62a_100009815848_100009864548 [1,1,0,0,0,0|1,1,0]=4 9887 B14R1.727 Cc1cnc(c(c1)C)SC[C@@H](O)CO 62a_100009864548_100009815848 [1,1,0,0,0,0|1,1,0]=4 9888 B14R1.727 Cc1cnc(c(c1)N)OCC(O)CO 34a_100012000488_100011219619 [1,1,0,0,0,0|2,0,0]=4 9889 B14R1.727 Cc1cnc(c(c1)N)OC[C@@H](O)CO 34a_100012000488_100009815848 [1,1,0,0,0,0|2,0,0]=4 9890 B14R1.727 Cc1cnc(c(c1)O)SCC(O)CO 62a_100011219619_100012000487 [1,1,0,0,0,0|1,1,0]=4 9891 B14R1.727 Cc1cnc(c(c1)O)SC[C@@H](O)CO 62a_100009815848_100012000487 [1,1,0,0,0,0|1,1,0]=4 9892 B14R1.727 Cc1nc(ccc1OCC(O)CO)Br 34a_100012002022_100011219619 [1,1,0,0,0,0|1,0,0]=3 9893 B14R1.727 Cc1nc(ccc1OCC(O)CO)Br 7a_100012002022_100011219619 [1,1,0,0,0,0|1,0,0]=3 9894 B14R1.727 Cc1nc(ccc1OCC(O)CO)Cl 34a_100012184626_100011219619 [1,1,0,0,0,0|1,0,0]=3 9895 B14R1.727 Cc1nc(ccc1OCC(O)CO)Cl 7a_100012184626_100011219619 [1,1,0,0,0,0|1,0,0]=3 9896 B14R1.727 Cc1nc(ccc1OCC(O)CO)F 34a_100009881036_100011219619 [1,1,0,0,0,0|1,0,0]=3 9897 B14R1.727 Cc1nc(ccc1OCC(O)CO)F 7a_100009881036_100011219619 [1,1,0,0,0,0|1,0,0]=3 9898 B14R1.727 Cc1nc(ccc1OCC(O)CO)I 34a_100010233687_100011219619 [1,1,0,0,0,0|1,0,0]=3 9899 B14R1.727 Cc1nc(ccc1OCC(O)CO)I 7a_100010233687_100011219619 [1,1,0,0,0,0|1,0,0]=3 9900 B14R1.727 Cc1nc(ccc1OC[C@@H](C)CO)Br 34a_100012002022_100000059175 [1,1,0,0,0,0|2,0,0]=4 9901 B14R1.727 Cc1nc(ccc1OC[C@@H](C)CO)Br 7a_100012002022_100000059175 [1,1,0,0,0,0|2,0,0]=4 9902 B14R1.727 Cc1nc(ccc1OC[C@@H](C)CO)Cl 34a_100012184626_100000059175 [1,1,0,0,0,0|2,0,0]=4 9903 B14R1.727 Cc1nc(ccc1OC[C@@H](C)CO)Cl 7a_100012184626_100000059175 [1,1,0,0,0,0|2,0,0]=4 9904 B14R1.727 Cc1nc(ccc1OC[C@@H](C)CO)F 34a_100009881036_100000059175 [1,1,0,0,0,0|2,0,0]=4 9905 B14R1.727 Cc1nc(ccc1OC[C@@H](C)CO)F 7a_100009881036_100000059175 [1,1,0,0,0,0|2,0,0]=4 9906 B14R1.727 Cc1nc(ccc1OC[C@@H](C)CO)I 34a_100010233687_100000059175 [1,1,0,0,0,0|2,0,0]=4 9907 B14R1.727 Cc1nc(ccc1OC[C@@H](C)CO)I 7a_100010233687_100000059175 [1,1,0,0,0,0|2,0,0]=4 9908 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CF)Br 34a_100012002022_100015614560 [1,1,0,0,0,0|2,0,0]=4 9909 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CF)Br 7a_100012002022_100015614560 [1,1,0,0,0,0|2,0,0]=4 9910 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CF)Cl 34a_100012184626_100015614560 [1,1,0,0,0,0|2,0,0]=4 9911 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CF)Cl 7a_100012184626_100015614560 [1,1,0,0,0,0|2,0,0]=4 9912 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CF)F 34a_100009881036_100015614560 [1,1,0,0,0,0|2,0,0]=4 9913 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CF)F 7a_100009881036_100015614560 [1,1,0,0,0,0|2,0,0]=4 9914 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CF)I 34a_100010233687_100015614560 [1,1,0,0,0,0|2,0,0]=4 9915 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CF)I 7a_100010233687_100015614560 [1,1,0,0,0,0|2,0,0]=4 9916 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CO)Br 34a_100012002022_100009815848 [1,1,0,0,0,0|1,0,0]=3 9917 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CO)Br 7a_100012002022_100009815848 [1,1,0,0,0,0|1,0,0]=3 9918 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CO)Cl 34a_100012184626_100009815848 [1,1,0,0,0,0|1,0,0]=3 9919 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CO)Cl 7a_100012184626_100009815848 [1,1,0,0,0,0|1,0,0]=3 9920 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CO)F 34a_100009881036_100009815848 [1,1,0,0,0,0|1,0,0]=3 9921 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CO)F 7a_100009881036_100009815848 [1,1,0,0,0,0|1,0,0]=3 9922 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CO)I 34a_100010233687_100009815848 [1,1,0,0,0,0|1,0,0]=3 9923 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CO)I 7a_100010233687_100009815848 [1,1,0,0,0,0|1,0,0]=3 9924 B14R1.727 Cc1nc(ccc1SCC(O)CO)Cl 62a_100000062408_100011219619 [1,1,0,0,0,0|1,1,0]=4 9925 B14R1.727 Cc1nc(ccc1SCC(O)CO)Cl 62a_100011219619_100000062408 [1,1,0,0,0,0|1,1,0]=4 9926 B14R1.727 Cc1nc(ccc1SCC(O)CO)F 62a_100000688911_100011219619 [1,1,0,0,0,0|1,1,0]=4 9927 B14R1.727 Cc1nc(ccc1SCC(O)CO)F 62a_100011219619_100000688911 [1,1,0,0,0,0|1,1,0]=4 9928 B14R1.727 Cc1nc(ccc1SCC(O)CO)N 62a_100000187202_100011219619 [1,1,0,0,0,0|1,1,0]=4 9929 B14R1.727 Cc1nc(ccc1SCC(O)CO)N 62a_100011219619_100000187202 [1,1,0,0,0,0|1,1,0]=4 9930 B14R1.727 Cc1nc(ccc1SCC(O)CO)O 62a_100000691680_100011219619 [1,1,0,0,0,0|1,1,0]=4 9931 B14R1.727 Cc1nc(ccc1SCC(O)CO)O 62a_100011219619_100000691680 [1,1,0,0,0,0|1,1,0]=4 9932 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CO)Cl 62a_100000062408_100009815848 [1,1,0,0,0,0|1,1,0]=4 9933 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CO)Cl 62a_100009815848_100000062408 [1,1,0,0,0,0|1,1,0]=4 9934 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CO)F 62a_100000688911_100009815848 [1,1,0,0,0,0|1,1,0]=4 9935 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100000688911 [1,1,0,0,0,0|1,1,0]=4 9936 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CO)N 62a_100000187202_100009815848 [1,1,0,0,0,0|1,1,0]=4 9937 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CO)N 62a_100009815848_100000187202 [1,1,0,0,0,0|1,1,0]=4 9938 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CO)O 62a_100000691680_100009815848 [1,1,0,0,0,0|1,1,0]=4 9939 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CO)O 62a_100009815848_100000691680 [1,1,0,0,0,0|1,1,0]=4 9940 B14R1.727 Cc1ncc(c(n1)C)OCC(O)CO 34a_100009864123_100011219619 [1,1,0,0,0,0|2,0,0]=4 9941 B14R1.727 Cc1ncc(c(n1)C)OCC(O)CO 7a_100009864123_100011219619 [1,1,0,0,0,0|2,0,0]=4 9942 B14R1.727 Cc1ncc(c(n1)C)OC[C@@H](O)CO 34a_100009864123_100009815848 [1,1,0,0,0,0|2,0,0]=4 9943 B14R1.727 Cc1ncc(c(n1)C)OC[C@@H](O)CO 7a_100009864123_100009815848 [1,1,0,0,0,0|2,0,0]=4 9944 B14R1.727 Nc1cc(ccc1OCC(O)CO)Br 34a_100000752626_100011219619 [1,1,0,0,0,0|1,0,0]=3 9945 B14R1.727 Nc1cc(ccc1OCC(O)CO)Br 7a_100000752626_100011219619 [1,1,0,0,0,0|1,0,0]=3 9946 B14R1.727 Nc1cc(ccc1OCC(O)CO)Cl 34a_100000210500_100011219619 [1,1,0,0,0,0|1,0,0]=3 9947 B14R1.727 Nc1cc(ccc1OCC(O)CO)Cl 7a_100000210500_100011219619 [1,1,0,0,0,0|1,0,0]=3 9948 B14R1.727 Nc1cc(ccc1OCC(O)CO)F 34a_100000759472_100011219619 [1,1,0,0,0,0|1,0,0]=3 9949 B14R1.727 Nc1cc(ccc1OCC(O)CO)F 7a_100000759472_100011219619 [1,1,0,0,0,0|1,0,0]=3 9950 B14R1.727 Nc1cc(ccc1OCC(O)CO)I 34a_100000753495_100011219619 [1,1,0,0,0,0|1,0,0]=3 9951 B14R1.727 Nc1cc(ccc1OCC(O)CO)I 7a_100000753495_100011219619 [1,1,0,0,0,0|1,0,0]=3 9952 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CF)Br 34a_100000752626_100015614560 [1,1,0,0,0,0|2,0,0]=4 9953 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CF)Br 7a_100000752626_100015614560 [1,1,0,0,0,0|2,0,0]=4 9954 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CF)Cl 34a_100000210500_100015614560 [1,1,0,0,0,0|2,0,0]=4 9955 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CF)Cl 7a_100000210500_100015614560 [1,1,0,0,0,0|2,0,0]=4 9956 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CF)F 34a_100000759472_100015614560 [1,1,0,0,0,0|2,0,0]=4 9957 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CF)F 7a_100000759472_100015614560 [1,1,0,0,0,0|2,0,0]=4 9958 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CF)I 34a_100000753495_100015614560 [1,1,0,0,0,0|2,0,0]=4 9959 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CF)I 7a_100000753495_100015614560 [1,1,0,0,0,0|2,0,0]=4 9960 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CO)Br 34a_100000752626_100009815848 [1,1,0,0,0,0|1,0,0]=3 9961 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CO)Br 7a_100000752626_100009815848 [1,1,0,0,0,0|1,0,0]=3 9962 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CO)Cl 34a_100000210500_100009815848 [1,1,0,0,0,0|1,0,0]=3 9963 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CO)Cl 7a_100000210500_100009815848 [1,1,0,0,0,0|1,0,0]=3 9964 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CO)F 34a_100000759472_100009815848 [1,1,0,0,0,0|1,0,0]=3 9965 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CO)F 7a_100000759472_100009815848 [1,1,0,0,0,0|1,0,0]=3 9966 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CO)I 34a_100000753495_100009815848 [1,1,0,0,0,0|1,0,0]=3 9967 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CO)I 7a_100000753495_100009815848 [1,1,0,0,0,0|1,0,0]=3 9968 B14R1.727 Nc1cc(ccc1SCC(O)CO)Br 62a_100000743836_100011219619 [1,1,0,0,0,0|1,1,0]=4 9969 B14R1.727 Nc1cc(ccc1SCC(O)CO)Br 62a_100011219619_100000743836 [1,1,0,0,0,0|1,1,0]=4 9970 B14R1.727 Nc1cc(ccc1SCC(O)CO)Cl 62a_100000761886_100011219619 [1,1,0,0,0,0|1,1,0]=4 9971 B14R1.727 Nc1cc(ccc1SCC(O)CO)Cl 62a_100011219619_100000761886 [1,1,0,0,0,0|1,1,0]=4 9972 B14R1.727 Nc1cc(ccc1SCC(O)CO)F 62a_100000687223_100011219619 [1,1,0,0,0,0|1,1,0]=4 9973 B14R1.727 Nc1cc(ccc1SCC(O)CO)F 62a_100011219619_100000687223 [1,1,0,0,0,0|1,1,0]=4 9974 B14R1.727 Nc1cc(ccc1SCC(O)CO)O 62a_100011219619_100011999798 [1,1,0,0,0,0|1,1,0]=4 9975 B14R1.727 Nc1cc(ccc1SCC(O)CO)O 62a_100011999798_100011219619 [1,1,0,0,0,0|1,1,0]=4 9976 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CO)Br 62a_100000743836_100009815848 [1,1,0,0,0,0|1,1,0]=4 9977 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CO)Br 62a_100009815848_100000743836 [1,1,0,0,0,0|1,1,0]=4 9978 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100000761886_100009815848 [1,1,0,0,0,0|1,1,0]=4 9979 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100009815848_100000761886 [1,1,0,0,0,0|1,1,0]=4 9980 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CO)F 62a_100000687223_100009815848 [1,1,0,0,0,0|1,1,0]=4 9981 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100000687223 [1,1,0,0,0,0|1,1,0]=4 9982 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CO)O 62a_100009815848_100011999798 [1,1,0,0,0,0|1,1,0]=4 9983 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CO)O 62a_100011999798_100009815848 [1,1,0,0,0,0|1,1,0]=4 9984 B14R1.727 Nc1cc(cnc1OCC(O)CO)Br 34a_100000743729_100011219619 [1,1,0,0,0,0|2,0,0]=4 9985 B14R1.727 Nc1cc(cnc1OCC(O)CO)Cl 34a_100011998249_100011219619 [1,1,0,0,0,0|2,0,0]=4 9986 B14R1.727 Nc1cc(cnc1OC[C@@H](O)CO)Br 34a_100000743729_100009815848 [1,1,0,0,0,0|2,0,0]=4 9987 B14R1.727 Nc1cc(cnc1OC[C@@H](O)CO)Cl 34a_100011998249_100009815848 [1,1,0,0,0,0|2,0,0]=4 9988 B14R1.727 Nc1cc(ncc1OCC(O)CO)Br 34a_100009819941_100011219619 [1,1,0,0,0,0|2,0,0]=4 9989 B14R1.727 Nc1cc(ncc1OCC(O)CO)Br 7a_100009819941_100011219619 [1,1,0,0,0,0|2,0,0]=4 9990 B14R1.727 Nc1cc(ncc1OC[C@@H](O)CO)Br 34a_100009819941_100009815848 [1,1,0,0,0,0|2,0,0]=4 9991 B14R1.727 Nc1cc(ncc1OC[C@@H](O)CO)Br 7a_100009819941_100009815848 [1,1,0,0,0,0|2,0,0]=4 9992 B14R1.727 Nc1ccc(c(c1)Br)OCC(O)CO 34a_100011534360_100011219619 [1,1,0,0,0,0|1,0,0]=3 9993 B14R1.727 Nc1ccc(c(c1)Br)OCC(O)CO 7a_100011534360_100011219619 [1,1,0,0,0,0|1,0,0]=3 9994 B14R1.727 Nc1ccc(c(c1)Br)OC[C@@H](O)CF 34a_100011534360_100015614560 [1,1,0,0,0,0|2,0,0]=4 9995 B14R1.727 Nc1ccc(c(c1)Br)OC[C@@H](O)CF 7a_100011534360_100015614560 [1,1,0,0,0,0|2,0,0]=4 9996 B14R1.727 Nc1ccc(c(c1)Br)OC[C@@H](O)CO 34a_100011534360_100009815848 [1,1,0,0,0,0|1,0,0]=3 9997 B14R1.727 Nc1ccc(c(c1)Br)OC[C@@H](O)CO 7a_100011534360_100009815848 [1,1,0,0,0,0|1,0,0]=3 9998 B14R1.727 Nc1ccc(c(c1)Br)SCC(O)CO 62a_100000750458_100011219619 [1,1,0,0,0,0|1,1,0]=4 9999 B14R1.727 Nc1ccc(c(c1)Br)SCC(O)CO 62a_100011219619_100000750458 [1,1,0,0,0,0|1,1,0]=4 10000 B14R1.727 Nc1ccc(c(c1)Br)SC[C@@H](O)CO 62a_100000750458_100009815848 [1,1,0,0,0,0|1,1,0]=4 10001 B14R1.727 Nc1ccc(c(c1)Br)SC[C@@H](O)CO 62a_100009815848_100000750458 [1,1,0,0,0,0|1,1,0]=4 10002 B14R1.727 Nc1ccc(c(c1)Cl)OCC(O)CO 34a_100000744943_100011219619 [1,1,0,0,0,0|1,0,0]=3 10003 B14R1.727 Nc1ccc(c(c1)Cl)OCC(O)CO 7a_100000744943_100011219619 [1,1,0,0,0,0|1,0,0]=3 10004 B14R1.727 Nc1ccc(c(c1)Cl)OC[C@@H](O)CF 34a_100000744943_100015614560 [1,1,0,0,0,0|2,0,0]=4 10005 B14R1.727 Nc1ccc(c(c1)Cl)OC[C@@H](O)CF 7a_100000744943_100015614560 [1,1,0,0,0,0|2,0,0]=4 10006 B14R1.727 Nc1ccc(c(c1)Cl)OC[C@@H](O)CO 34a_100000744943_100009815848 [1,1,0,0,0,0|1,0,0]=3 10007 B14R1.727 Nc1ccc(c(c1)Cl)OC[C@@H](O)CO 7a_100000744943_100009815848 [1,1,0,0,0,0|1,0,0]=3 10008 B14R1.727 Nc1ccc(c(c1)Cl)SCC(O)CO 62a_100000761885_100011219619 [1,1,0,0,0,0|1,1,0]=4 10009 B14R1.727 Nc1ccc(c(c1)Cl)SCC(O)CO 62a_100011219619_100000761885 [1,1,0,0,0,0|1,1,0]=4 10010 B14R1.727 Nc1ccc(c(c1)Cl)SC[C@@H](O)CO 62a_100000761885_100009815848 [1,1,0,0,0,0|1,1,0]=4 10011 B14R1.727 Nc1ccc(c(c1)Cl)SC[C@@H](O)CO 62a_100009815848_100000761885 [1,1,0,0,0,0|1,1,0]=4 10012 B14R1.727 Nc1ccc(c(c1)F)OCC(O)CO 34a_100011220035_100011219619 [1,1,0,0,0,0|1,0,0]=3 10013 B14R1.727 Nc1ccc(c(c1)F)OCC(O)CO 7a_100011220035_100011219619 [1,1,0,0,0,0|1,0,0]=3 10014 B14R1.727 Nc1ccc(c(c1)F)OC[C@@H](O)CF 34a_100011220035_100015614560 [1,1,0,0,0,0|2,0,0]=4 10015 B14R1.727 Nc1ccc(c(c1)F)OC[C@@H](O)CF 7a_100011220035_100015614560 [1,1,0,0,0,0|2,0,0]=4 10016 B14R1.727 Nc1ccc(c(c1)F)OC[C@@H](O)CO 34a_100011220035_100009815848 [1,1,0,0,0,0|1,0,0]=3 10017 B14R1.727 Nc1ccc(c(c1)F)OC[C@@H](O)CO 7a_100011220035_100009815848 [1,1,0,0,0,0|1,0,0]=3 10018 B14R1.727 Nc1ccc(c(c1)F)SCC(O)CO 62a_100011219619_100011356925 [1,1,0,0,0,0|1,1,0]=4 10019 B14R1.727 Nc1ccc(c(c1)F)SCC(O)CO 62a_100011356925_100011219619 [1,1,0,0,0,0|1,1,0]=4 10020 B14R1.727 Nc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100009815848_100011356925 [1,1,0,0,0,0|1,1,0]=4 10021 B14R1.727 Nc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100011356925_100009815848 [1,1,0,0,0,0|1,1,0]=4 10022 B14R1.727 Nc1ccc(c(c1)N)OCC(O)CO 34a_100000725306_100011219619 [1,1,0,0,0,0|1,0,0]=3 10023 B14R1.727 Nc1ccc(c(c1)N)OC[C@@H](O)CF 34a_100000725306_100015614560 [1,1,0,0,0,0|2,0,0]=4 10024 B14R1.727 Nc1ccc(c(c1)N)OC[C@@H](O)CO 34a_100000725306_100009815848 [1,1,0,0,0,0|1,0,0]=3 10025 B14R1.727 Nc1ccc(c(c1)N)SCC(O)CO 62a_100011219619_200012175722 [1,1,0,0,0,0|1,1,0]=4 10026 B14R1.727 Nc1ccc(c(c1)N)SCC(O)CO 62a_200012175722_100011219619 [1,1,0,0,0,0|1,1,0]=4 10027 B14R1.727 Nc1ccc(c(c1)N)SC[C@@H](O)CO 62a_100009815848_200012175722 [1,1,0,0,0,0|1,1,0]=4 10028 B14R1.727 Nc1ccc(c(c1)N)SC[C@@H](O)CO 62a_200012175722_100009815848 [1,1,0,0,0,0|1,1,0]=4 10029 B14R1.727 Nc1nc(ccc1OCC(O)CO)Br 34a_100000685527_100011219619 [1,1,0,0,0,0|2,0,0]=4 10030 B14R1.727 Nc1nc(ccc1OCC(O)CO)Br 7a_100000685527_100011219619 [1,1,0,0,0,0|2,0,0]=4 10031 B14R1.727 Nc1nc(ccc1OCC(O)CO)Cl 34a_100000717809_100011219619 [1,1,0,0,0,0|2,0,0]=4 10032 B14R1.727 Nc1nc(ccc1OCC(O)CO)Cl 7a_100000717809_100011219619 [1,1,0,0,0,0|2,0,0]=4 10033 B14R1.727 Nc1nc(ccc1OC[C@@H](O)CO)Br 34a_100000685527_100009815848 [1,1,0,0,0,0|2,0,0]=4 10034 B14R1.727 Nc1nc(ccc1OC[C@@H](O)CO)Br 7a_100000685527_100009815848 [1,1,0,0,0,0|2,0,0]=4 10035 B14R1.727 Nc1nc(ccc1OC[C@@H](O)CO)Cl 34a_100000717809_100009815848 [1,1,0,0,0,0|2,0,0]=4 10036 B14R1.727 Nc1nc(ccc1OC[C@@H](O)CO)Cl 7a_100000717809_100009815848 [1,1,0,0,0,0|2,0,0]=4 10037 B14R1.727 OCC(O)CNc1ccc(cc1Br)Br 34a_100000211012_100011219619 [1,1,0,0,0,0|2,0,0]=4 10038 B14R1.727 OCC(O)CNc1ccc(cc1Br)Cl 34a_100000752454_100011219619 [1,1,0,0,0,0|2,0,0]=4 10039 B14R1.727 OCC(O)CNc1ccc(cc1Br)F 34a_100000738039_100011219619 [1,1,0,0,0,0|2,0,0]=4 10040 B14R1.727 OCC(O)CNc1ccc(cc1Br)O 34a_100012001276_100011219619 [1,1,0,0,0,0|2,0,0]=4 10041 B14R1.727 OCC(O)CNc1ccc(cc1Cl)Br 34a_100000211467_100011219619 [1,1,0,0,0,0|2,0,0]=4 10042 B14R1.727 OCC(O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100011219619 [1,1,0,0,0,0|2,0,0]=4 10043 B14R1.727 OCC(O)CNc1ccc(cc1Cl)F 34a_100000212003_100011219619 [1,1,0,0,0,0|2,0,0]=4 10044 B14R1.727 OCC(O)CNc1ccc(cc1Cl)I 34a_100011218065_100011219619 [1,1,0,0,0,0|2,0,0]=4 10045 B14R1.727 OCC(O)CNc1ccc(cc1Cl)O 34a_100011215599_100011219619 [1,1,0,0,0,0|2,0,0]=4 10046 B14R1.727 OCC(O)CNc1ccc(cc1F)Br 34a_100000210722_100011219619 [1,1,0,0,0,0|2,0,0]=4 10047 B14R1.727 OCC(O)CNc1ccc(cc1F)Cl 34a_100000211020_100011219619 [1,1,0,0,0,0|2,0,0]=4 10048 B14R1.727 OCC(O)CNc1ccc(cc1F)F 34a_100000210720_100011219619 [1,1,0,0,0,0|2,0,0]=4 10049 B14R1.727 OCC(O)CNc1ccc(cc1F)I 34a_100011215594_100011219619 [1,1,0,0,0,0|2,0,0]=4 10050 B14R1.727 OCC(O)CNc1ccc(cc1F)O 34a_100000759473_100011219619 [1,1,0,0,0,0|2,0,0]=4 10051 B14R1.727 OCC(O)CNc1ccc(cc1I)Br 34a_100000187925_100011219619 [1,1,0,0,0,0|2,0,0]=4 10052 B14R1.727 OCC(O)CNc1ccc(cc1I)Cl 34a_100000761889_100011219619 [1,1,0,0,0,0|2,0,0]=4 10053 B14R1.727 OCC(O)CNc1ccc(cc1I)F 34a_100000760547_100011219619 [1,1,0,0,0,0|2,0,0]=4 10054 B14R1.727 OCC(O)CNc1ccc(cc1I)O 34a_100010084370_100011219619 [1,1,0,0,0,0|2,0,0]=4 10055 B14R1.727 OCC(O)CNc1ccc(cc1O)Br 34a_100000739049_100011219619 [1,1,0,0,0,0|1,0,0]=3 10056 B14R1.727 OCC(O)CNc1ccc(cc1O)Cl 34a_100000185728_100011219619 [1,1,0,0,0,0|1,0,0]=3 10057 B14R1.727 OCC(O)CNc1ccc(cc1O)F 34a_100000753323_100011219619 [1,1,0,0,0,0|1,0,0]=3 10058 B14R1.727 OCC(O)CNc1ccc(cc1O)O 34a_100000106777_100011219619 [1,1,0,0,0,0|1,0,0]=3 10059 B14R1.727 OCC(O)COc1ccc(cc1Br)Br 34a_100000188717_100011219619 [1,1,0,0,0,0|1,0,0]=3 10060 B14R1.727 OCC(O)COc1ccc(cc1Br)Br 7a_100000188717_100011219619 [1,1,0,0,0,0|1,0,0]=3 10061 B14R1.727 OCC(O)COc1ccc(cc1Br)Cl 34a_100000211998_100011219619 [1,1,0,0,0,0|1,0,0]=3 10062 B14R1.727 OCC(O)COc1ccc(cc1Br)Cl 7a_100000211998_100011219619 [1,1,0,0,0,0|1,0,0]=3 10063 B14R1.727 OCC(O)COc1ccc(cc1Br)F 34a_100000211999_100011219619 [1,1,0,0,0,0|1,0,0]=3 10064 B14R1.727 OCC(O)COc1ccc(cc1Br)F 7a_100000211999_100011219619 [1,1,0,0,0,0|1,0,0]=3 10065 B14R1.727 OCC(O)COc1ccc(cc1Br)I 34a_100012361655_100011219619 [1,1,0,0,0,0|1,0,0]=3 10066 B14R1.727 OCC(O)COc1ccc(cc1Br)I 7a_100012361655_100011219619 [1,1,0,0,0,0|1,0,0]=3 10067 B14R1.727 OCC(O)COc1ccc(cc1Cl)Br 34a_100000186472_100011219619 [1,1,0,0,0,0|1,0,0]=3 10068 B14R1.727 OCC(O)COc1ccc(cc1Cl)Br 7a_100000186472_100011219619 [1,1,0,0,0,0|1,0,0]=3 10069 B14R1.727 OCC(O)COc1ccc(cc1Cl)Cl 34a_100015191787_100011219619 [1,1,0,0,0,0|1,0,0]=3 10070 B14R1.727 OCC(O)COc1ccc(cc1Cl)Cl 7a_100015191787_100011219619 [1,1,0,0,0,0|1,0,0]=3 10071 B14R1.727 OCC(O)COc1ccc(cc1Cl)F 34a_100000212004_100011219619 [1,1,0,0,0,0|1,0,0]=3 10072 B14R1.727 OCC(O)COc1ccc(cc1Cl)F 7a_100000212004_100011219619 [1,1,0,0,0,0|1,0,0]=3 10073 B14R1.727 OCC(O)COc1ccc(cc1Cl)I 34a_100012360047_100011219619 [1,1,0,0,0,0|1,0,0]=3 10074 B14R1.727 OCC(O)COc1ccc(cc1Cl)I 7a_100012360047_100011219619 [1,1,0,0,0,0|1,0,0]=3 10075 B14R1.727 OCC(O)COc1ccc(cc1F)Br 34a_100000185481_100011219619 [1,1,0,0,0,0|1,0,0]=3 10076 B14R1.727 OCC(O)COc1ccc(cc1F)Br 7a_100000185481_100011219619 [1,1,0,0,0,0|1,0,0]=3 10077 B14R1.727 OCC(O)COc1ccc(cc1F)Cl 34a_100000230166_100011219619 [1,1,0,0,0,0|1,0,0]=3 10078 B14R1.727 OCC(O)COc1ccc(cc1F)Cl 7a_100000230166_100011219619 [1,1,0,0,0,0|1,0,0]=3 10079 B14R1.727 OCC(O)COc1ccc(cc1F)F 34a_100000230127_100011219619 [1,1,0,0,0,0|1,0,0]=3 10080 B14R1.727 OCC(O)COc1ccc(cc1F)F 7a_100000230127_100011219619 [1,1,0,0,0,0|1,0,0]=3 10081 B14R1.727 OCC(O)COc1ccc(cc1F)I 34a_100011356965_100011219619 [1,1,0,0,0,0|1,0,0]=3 10082 B14R1.727 OCC(O)COc1ccc(cc1F)I 7a_100011356965_100011219619 [1,1,0,0,0,0|1,0,0]=3 10083 B14R1.727 OCC(O)COc1ccc(cc1I)Br 34a_100012355227_100011219619 [1,1,0,0,0,0|1,0,0]=3 10084 B14R1.727 OCC(O)COc1ccc(cc1I)Br 7a_100012355227_100011219619 [1,1,0,0,0,0|1,0,0]=3 10085 B14R1.727 OCC(O)COc1ccc(cc1I)Cl 34a_100011356953_100011219619 [1,1,0,0,0,0|1,0,0]=3 10086 B14R1.727 OCC(O)COc1ccc(cc1I)Cl 7a_100011356953_100011219619 [1,1,0,0,0,0|1,0,0]=3 10087 B14R1.727 OCC(O)COc1ccc(cc1I)F 34a_100012355409_100011219619 [1,1,0,0,0,0|1,0,0]=3 10088 B14R1.727 OCC(O)COc1ccc(cc1I)F 7a_100012355409_100011219619 [1,1,0,0,0,0|1,0,0]=3 10089 B14R1.727 OCC(O)COc1ccc(cc1I)I 7a_100010001573_100011219619 [1,1,0,0,0,0|1,0,0]=3 10090 B14R1.727 OCC(O)COc1ccc(nc1Br)Br 34a_100009999766_100011219619 [1,1,0,0,0,0|2,0,0]=4 10091 B14R1.727 OCC(O)COc1ccc(nc1Br)Br 7a_100009999766_100011219619 [1,1,0,0,0,0|2,0,0]=4 10092 B14R1.727 OCC(O)COc1ccc(nc1Br)Cl 34a_100010219353_100011219619 [1,1,0,0,0,0|2,0,0]=4 10093 B14R1.727 OCC(O)COc1ccc(nc1Br)Cl 7a_100010219353_100011219619 [1,1,0,0,0,0|2,0,0]=4 10094 B14R1.727 OCC(O)COc1ccc(nc1Br)F 34a_100009887730_100011219619 [1,1,0,0,0,0|2,0,0]=4 10095 B14R1.727 OCC(O)COc1ccc(nc1Br)F 7a_100009887730_100011219619 [1,1,0,0,0,0|2,0,0]=4 10096 B14R1.727 OCC(O)COc1ccc(nc1Br)I 34a_100000725334_100011219619 [1,1,0,0,0,0|2,0,0]=4 10097 B14R1.727 OCC(O)COc1ccc(nc1Br)I 7a_100000725334_100011219619 [1,1,0,0,0,0|2,0,0]=4 10098 B14R1.727 OCC(O)COc1ccc(nc1Cl)Br 34a_100010246206_100011219619 [1,1,0,0,0,0|2,0,0]=4 10099 B14R1.727 OCC(O)COc1ccc(nc1Cl)Br 7a_100010246206_100011219619 [1,1,0,0,0,0|2,0,0]=4 10100 B14R1.727 OCC(O)COc1ccc(nc1Cl)Cl 34a_100000101165_100011219619 [1,1,0,0,0,0|2,0,0]=4 10101 B14R1.727 OCC(O)COc1ccc(nc1Cl)Cl 7a_100000101165_100011219619 [1,1,0,0,0,0|2,0,0]=4 10102 B14R1.727 OCC(O)COc1ccc(nc1Cl)I 34a_100000721234_100011219619 [1,1,0,0,0,0|2,0,0]=4 10103 B14R1.727 OCC(O)COc1ccc(nc1Cl)I 7a_100000721234_100011219619 [1,1,0,0,0,0|2,0,0]=4 10104 B14R1.727 OCC(O)COc1ccc(nc1F)Br 34a_100009819667_100011219619 [1,1,0,0,0,0|2,0,0]=4 10105 B14R1.727 OCC(O)COc1ccc(nc1F)Br 7a_100009819667_100011219619 [1,1,0,0,0,0|2,0,0]=4 10106 B14R1.727 OCC(O)COc1ccc(nc1F)Cl 34a_100009880201_100011219619 [1,1,0,0,0,0|2,0,0]=4 10107 B14R1.727 OCC(O)COc1ccc(nc1F)Cl 7a_100009880201_100011219619 [1,1,0,0,0,0|2,0,0]=4 10108 B14R1.727 OCC(O)COc1ccc(nc1F)F 34a_100000101184_100011219619 [1,1,0,0,0,0|2,0,0]=4 10109 B14R1.727 OCC(O)COc1ccc(nc1F)F 7a_100000101184_100011219619 [1,1,0,0,0,0|2,0,0]=4 10110 B14R1.727 OCC(O)COc1ccc(nc1I)Br 34a_100010253912_100011219619 [1,1,0,0,0,0|2,0,0]=4 10111 B14R1.727 OCC(O)COc1ccc(nc1I)Br 7a_100010253912_100011219619 [1,1,0,0,0,0|2,0,0]=4 10112 B14R1.727 OCC(O)COc1ccc(nc1I)Cl 34a_100000696390_100011219619 [1,1,0,0,0,0|2,0,0]=4 10113 B14R1.727 OCC(O)COc1ccc(nc1I)Cl 7a_100000696390_100011219619 [1,1,0,0,0,0|2,0,0]=4 10114 B14R1.727 OCC(O)COc1ccc(nc1I)F 34a_100010382442_100011219619 [1,1,0,0,0,0|2,0,0]=4 10115 B14R1.727 OCC(O)COc1ccc(nc1I)F 7a_100010382442_100011219619 [1,1,0,0,0,0|2,0,0]=4 10116 B14R1.727 OCC(O)COc1cnc(cc1Cl)Cl 34a_100009868576_100011219619 [1,1,0,0,0,0|2,0,0]=4 10117 B14R1.727 OCC(O)COc1cnc(cc1Cl)Cl 7a_100009868576_100011219619 [1,1,0,0,0,0|2,0,0]=4 10118 B14R1.727 OCC(O)COc1cnc(cc1F)F 34a_100009885687_100011219619 [1,1,0,0,0,0|2,0,0]=4 10119 B14R1.727 OCC(O)COc1cnc(cc1F)F 7a_100009885687_100011219619 [1,1,0,0,0,0|2,0,0]=4 10120 B14R1.727 OCC(O)COc1cnc(cc1I)Cl 34a_100000698892_100011219619 [1,1,0,0,0,0|2,0,0]=4 10121 B14R1.727 OCC(O)COc1cnc(cc1I)Cl 7a_100000698892_100011219619 [1,1,0,0,0,0|2,0,0]=4 10122 B14R1.727 OCC(O)COc1ncc(cc1Br)Br 34a_100000701035_100011219619 [1,1,0,0,0,0|2,0,0]=4 10123 B14R1.727 OCC(O)COc1ncc(cc1Cl)Br 34a_100012339560_100011219619 [1,1,0,0,0,0|2,0,0]=4 10124 B14R1.727 OCC(O)COc1ncc(cc1Cl)F 34a_100009847679_100011219619 [1,1,0,0,0,0|2,0,0]=4 10125 B14R1.727 OCC(O)COc1ncc(cc1F)Cl 34a_100011998252_100011219619 [1,1,0,0,0,0|2,0,0]=4 10126 B14R1.727 OCC(O)COc1ncc(cc1F)F 34a_100012025737_100011219619 [1,1,0,0,0,0|2,0,0]=4 10127 B14R1.727 OCC(O)CSc1ccc(cc1Br)Br 62a_100011219619_100011484698 [1,1,0,0,0,0|1,1,0]=4 10128 B14R1.727 OCC(O)CSc1ccc(cc1Br)Br 62a_100011484698_100011219619 [1,1,0,0,0,0|1,1,0]=4 10129 B14R1.727 OCC(O)CSc1ccc(cc1Br)Cl 62a_100011219619_100011219703 [1,1,0,0,0,0|1,1,0]=4 10130 B14R1.727 OCC(O)CSc1ccc(cc1Br)Cl 62a_100011219703_100011219619 [1,1,0,0,0,0|1,1,0]=4 10131 B14R1.727 OCC(O)CSc1ccc(cc1Br)F 62a_100011217111_100011219619 [1,1,0,0,0,0|1,1,0]=4 10132 B14R1.727 OCC(O)CSc1ccc(cc1Br)F 62a_100011219619_100011217111 [1,1,0,0,0,0|1,1,0]=4 10133 B14R1.727 OCC(O)CSc1ccc(cc1Br)O 62a_100000701344_100011219619 [1,1,0,0,0,0|1,1,0]=4 10134 B14R1.727 OCC(O)CSc1ccc(cc1Br)O 62a_100011219619_100000701344 [1,1,0,0,0,0|1,1,0]=4 10135 B14R1.727 OCC(O)CSc1ccc(cc1Cl)Br 62a_100011216062_100011219619 [1,1,0,0,0,0|1,1,0]=4 10136 B14R1.727 OCC(O)CSc1ccc(cc1Cl)Br 62a_100011219619_100011216062 [1,1,0,0,0,0|1,1,0]=4 10137 B14R1.727 OCC(O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100011219619 [1,1,0,0,0,0|1,1,0]=4 10138 B14R1.727 OCC(O)CSc1ccc(cc1Cl)Cl 62a_100011219619_100000699841 [1,1,0,0,0,0|1,1,0]=4 10139 B14R1.727 OCC(O)CSc1ccc(cc1Cl)F 62a_100000733362_100011219619 [1,1,0,0,0,0|1,1,0]=4 10140 B14R1.727 OCC(O)CSc1ccc(cc1Cl)F 62a_100011219619_100000733362 [1,1,0,0,0,0|1,1,0]=4 10141 B14R1.727 OCC(O)CSc1ccc(cc1Cl)O 62a_100000047559_100011219619 [1,1,0,0,0,0|1,1,0]=4 10142 B14R1.727 OCC(O)CSc1ccc(cc1Cl)O 62a_100011219619_100000047559 [1,1,0,0,0,0|1,1,0]=4 10143 B14R1.727 OCC(O)CSc1ccc(cc1F)Br 62a_100009814013_100011219619 [1,1,0,0,0,0|1,1,0]=4 10144 B14R1.727 OCC(O)CSc1ccc(cc1F)Br 62a_100011219619_100009814013 [1,1,0,0,0,0|1,1,0]=4 10145 B14R1.727 OCC(O)CSc1ccc(cc1F)Cl 62a_100011216042_100011219619 [1,1,0,0,0,0|1,1,0]=4 10146 B14R1.727 OCC(O)CSc1ccc(cc1F)Cl 62a_100011219619_100011216042 [1,1,0,0,0,0|1,1,0]=4 10147 B14R1.727 OCC(O)CSc1ccc(cc1F)F 62a_100000750030_100011219619 [1,1,0,0,0,0|1,1,0]=4 10148 B14R1.727 OCC(O)CSc1ccc(cc1F)F 62a_100011219619_100000750030 [1,1,0,0,0,0|1,1,0]=4 10149 B14R1.727 OCC(O)CSc1ccc(cc1F)O 62a_100000755031_100011219619 [1,1,0,0,0,0|1,1,0]=4 10150 B14R1.727 OCC(O)CSc1ccc(cc1F)O 62a_100011219619_100000755031 [1,1,0,0,0,0|1,1,0]=4 10151 B14R1.727 OCC(O)CSc1ccc(cc1O)Br 62a_100011219619_100012344904 [1,1,0,0,0,0|0,1,0]=3 10152 B14R1.727 OCC(O)CSc1ccc(cc1O)Br 62a_100012344904_100011219619 [1,1,0,0,0,0|0,1,0]=3 10153 B14R1.727 OCC(O)CSc1ccc(cc1O)Cl 62a_100000050036_100011219619 [1,1,0,0,0,0|0,1,0]=3 10154 B14R1.727 OCC(O)CSc1ccc(cc1O)Cl 62a_100011219619_100000050036 [1,1,0,0,0,0|0,1,0]=3 10155 B14R1.727 OCC(O)CSc1ccc(cc1O)F 62a_100000690578_100011219619 [1,1,0,0,0,0|0,1,0]=3 10156 B14R1.727 OCC(O)CSc1ccc(cc1O)F 62a_100011219619_100000690578 [1,1,0,0,0,0|0,1,0]=3 10157 B14R1.727 OCC(O)CSc1ccc(cc1O)O 62a_100011219619_100009813921 [1,1,0,0,0,0|0,1,0]=3 10158 B14R1.727 OCC(O)CSc1ncc(cc1O)Br 62a_100010210634_100011219619 [1,1,0,0,0,0|1,1,0]=4 10159 B14R1.727 OCC(O)CSc1ncc(cc1O)Br 62a_100011219619_100010210634 [1,1,0,0,0,0|1,1,0]=4 10160 B14R1.727 OCC(O)CSc1ncc(cc1O)Cl 62a_100010233512_100011219619 [1,1,0,0,0,0|1,1,0]=4 10161 B14R1.727 OCC(O)CSc1ncc(cc1O)Cl 62a_100011219619_100010233512 [1,1,0,0,0,0|1,1,0]=4 10162 B14R1.727 OCC(O)CSc1ncc(cc1O)F 62a_100009820119_100011219619 [1,1,0,0,0,0|1,1,0]=4 10163 B14R1.727 OCC(O)CSc1ncc(cc1O)F 62a_100011219619_100000079967 [1,1,0,0,0,0|1,1,0]=4 10164 B14R1.727 OC[C@H](O)CNc1ccc(cc1Br)Br 34a_100000211012_100009815848 [1,1,0,0,0,0|2,0,0]=4 10165 B14R1.727 OC[C@H](O)CNc1ccc(cc1Br)Cl 34a_100000752454_100009815848 [1,1,0,0,0,0|2,0,0]=4 10166 B14R1.727 OC[C@H](O)CNc1ccc(cc1Br)F 34a_100000738039_100009815848 [1,1,0,0,0,0|2,0,0]=4 10167 B14R1.727 OC[C@H](O)CNc1ccc(cc1Br)O 34a_100012001276_100009815848 [1,1,0,0,0,0|2,0,0]=4 10168 B14R1.727 OC[C@H](O)CNc1ccc(cc1Cl)Br 34a_100000211467_100009815848 [1,1,0,0,0,0|2,0,0]=4 10169 B14R1.727 OC[C@H](O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100009815848 [1,1,0,0,0,0|2,0,0]=4 10170 B14R1.727 OC[C@H](O)CNc1ccc(cc1Cl)F 34a_100000212003_100009815848 [1,1,0,0,0,0|2,0,0]=4 10171 B14R1.727 OC[C@H](O)CNc1ccc(cc1Cl)I 34a_100011218065_100009815848 [1,1,0,0,0,0|2,0,0]=4 10172 B14R1.727 OC[C@H](O)CNc1ccc(cc1Cl)O 34a_100011215599_100009815848 [1,1,0,0,0,0|2,0,0]=4 10173 B14R1.727 OC[C@H](O)CNc1ccc(cc1F)Br 34a_100000210722_100009815848 [1,1,0,0,0,0|2,0,0]=4 10174 B14R1.727 OC[C@H](O)CNc1ccc(cc1F)Cl 34a_100000211020_100009815848 [1,1,0,0,0,0|2,0,0]=4 10175 B14R1.727 OC[C@H](O)CNc1ccc(cc1F)F 34a_100000210720_100009815848 [1,1,0,0,0,0|2,0,0]=4 10176 B14R1.727 OC[C@H](O)CNc1ccc(cc1F)I 34a_100011215594_100009815848 [1,1,0,0,0,0|2,0,0]=4 10177 B14R1.727 OC[C@H](O)CNc1ccc(cc1F)O 34a_100000759473_100009815848 [1,1,0,0,0,0|2,0,0]=4 10178 B14R1.727 OC[C@H](O)CNc1ccc(cc1I)Br 34a_100000187925_100009815848 [1,1,0,0,0,0|2,0,0]=4 10179 B14R1.727 OC[C@H](O)CNc1ccc(cc1I)Cl 34a_100000761889_100009815848 [1,1,0,0,0,0|2,0,0]=4 10180 B14R1.727 OC[C@H](O)CNc1ccc(cc1I)F 34a_100000760547_100009815848 [1,1,0,0,0,0|2,0,0]=4 10181 B14R1.727 OC[C@H](O)CNc1ccc(cc1I)O 34a_100010084370_100009815848 [1,1,0,0,0,0|2,0,0]=4 10182 B14R1.727 OC[C@H](O)CNc1ccc(cc1O)Br 34a_100000739049_100009815848 [1,1,0,0,0,0|1,0,0]=3 10183 B14R1.727 OC[C@H](O)CNc1ccc(cc1O)Cl 34a_100000185728_100009815848 [1,1,0,0,0,0|1,0,0]=3 10184 B14R1.727 OC[C@H](O)CNc1ccc(cc1O)F 34a_100000753323_100009815848 [1,1,0,0,0,0|1,0,0]=3 10185 B14R1.727 OC[C@H](O)CNc1ccc(cc1O)O 34a_100000106777_100009815848 [1,1,0,0,0,0|1,0,0]=3 10186 B14R1.727 OC[C@H](O)COc1ccc(cc1Br)Br 34a_100000188717_100009815848 [1,1,0,0,0,0|1,0,0]=3 10187 B14R1.727 OC[C@H](O)COc1ccc(cc1Br)Br 7a_100000188717_100009815848 [1,1,0,0,0,0|1,0,0]=3 10188 B14R1.727 OC[C@H](O)COc1ccc(cc1Br)Cl 34a_100000211998_100009815848 [1,1,0,0,0,0|1,0,0]=3 10189 B14R1.727 OC[C@H](O)COc1ccc(cc1Br)Cl 7a_100000211998_100009815848 [1,1,0,0,0,0|1,0,0]=3 10190 B14R1.727 OC[C@H](O)COc1ccc(cc1Br)F 34a_100000211999_100009815848 [1,1,0,0,0,0|1,0,0]=3 10191 B14R1.727 OC[C@H](O)COc1ccc(cc1Br)F 7a_100000211999_100009815848 [1,1,0,0,0,0|1,0,0]=3 10192 B14R1.727 OC[C@H](O)COc1ccc(cc1Br)I 34a_100012361655_100009815848 [1,1,0,0,0,0|1,0,0]=3 10193 B14R1.727 OC[C@H](O)COc1ccc(cc1Br)I 7a_100012361655_100009815848 [1,1,0,0,0,0|1,0,0]=3 10194 B14R1.727 OC[C@H](O)COc1ccc(cc1Cl)Br 34a_100000186472_100009815848 [1,1,0,0,0,0|1,0,0]=3 10195 B14R1.727 OC[C@H](O)COc1ccc(cc1Cl)Br 7a_100000186472_100009815848 [1,1,0,0,0,0|1,0,0]=3 10196 B14R1.727 OC[C@H](O)COc1ccc(cc1Cl)Cl 34a_100015191787_100009815848 [1,1,0,0,0,0|1,0,0]=3 10197 B14R1.727 OC[C@H](O)COc1ccc(cc1Cl)Cl 7a_100015191787_100009815848 [1,1,0,0,0,0|1,0,0]=3 10198 B14R1.727 OC[C@H](O)COc1ccc(cc1Cl)F 34a_100000212004_100009815848 [1,1,0,0,0,0|1,0,0]=3 10199 B14R1.727 OC[C@H](O)COc1ccc(cc1Cl)F 7a_100000212004_100009815848 [1,1,0,0,0,0|1,0,0]=3 10200 B14R1.727 OC[C@H](O)COc1ccc(cc1Cl)I 34a_100012360047_100009815848 [1,1,0,0,0,0|1,0,0]=3 10201 B14R1.727 OC[C@H](O)COc1ccc(cc1Cl)I 7a_100012360047_100009815848 [1,1,0,0,0,0|1,0,0]=3 10202 B14R1.727 OC[C@H](O)COc1ccc(cc1F)Br 34a_100000185481_100009815848 [1,1,0,0,0,0|1,0,0]=3 10203 B14R1.727 OC[C@H](O)COc1ccc(cc1F)Br 7a_100000185481_100009815848 [1,1,0,0,0,0|1,0,0]=3 10204 B14R1.727 OC[C@H](O)COc1ccc(cc1F)Cl 34a_100000230166_100009815848 [1,1,0,0,0,0|1,0,0]=3 10205 B14R1.727 OC[C@H](O)COc1ccc(cc1F)Cl 7a_100000230166_100009815848 [1,1,0,0,0,0|1,0,0]=3 10206 B14R1.727 OC[C@H](O)COc1ccc(cc1F)F 34a_100000230127_100009815848 [1,1,0,0,0,0|1,0,0]=3 10207 B14R1.727 OC[C@H](O)COc1ccc(cc1F)F 7a_100000230127_100009815848 [1,1,0,0,0,0|1,0,0]=3 10208 B14R1.727 OC[C@H](O)COc1ccc(cc1F)I 34a_100011356965_100009815848 [1,1,0,0,0,0|1,0,0]=3 10209 B14R1.727 OC[C@H](O)COc1ccc(cc1F)I 7a_100011356965_100009815848 [1,1,0,0,0,0|1,0,0]=3 10210 B14R1.727 OC[C@H](O)COc1ccc(cc1I)Br 34a_100012355227_100009815848 [1,1,0,0,0,0|1,0,0]=3 10211 B14R1.727 OC[C@H](O)COc1ccc(cc1I)Br 7a_100012355227_100009815848 [1,1,0,0,0,0|1,0,0]=3 10212 B14R1.727 OC[C@H](O)COc1ccc(cc1I)Cl 34a_100011356953_100009815848 [1,1,0,0,0,0|1,0,0]=3 10213 B14R1.727 OC[C@H](O)COc1ccc(cc1I)Cl 7a_100011356953_100009815848 [1,1,0,0,0,0|1,0,0]=3 10214 B14R1.727 OC[C@H](O)COc1ccc(cc1I)F 34a_100012355409_100009815848 [1,1,0,0,0,0|1,0,0]=3 10215 B14R1.727 OC[C@H](O)COc1ccc(cc1I)F 7a_100012355409_100009815848 [1,1,0,0,0,0|1,0,0]=3 10216 B14R1.727 OC[C@H](O)COc1ccc(cc1I)I 7a_100010001573_100009815848 [1,1,0,0,0,0|1,0,0]=3 10217 B14R1.727 OC[C@H](O)COc1ccc(nc1Br)Br 34a_100009999766_100009815848 [1,1,0,0,0,0|2,0,0]=4 10218 B14R1.727 OC[C@H](O)COc1ccc(nc1Br)Br 7a_100009999766_100009815848 [1,1,0,0,0,0|2,0,0]=4 10219 B14R1.727 OC[C@H](O)COc1ccc(nc1Br)Cl 34a_100010219353_100009815848 [1,1,0,0,0,0|2,0,0]=4 10220 B14R1.727 OC[C@H](O)COc1ccc(nc1Br)Cl 7a_100010219353_100009815848 [1,1,0,0,0,0|2,0,0]=4 10221 B14R1.727 OC[C@H](O)COc1ccc(nc1Br)F 34a_100009887730_100009815848 [1,1,0,0,0,0|2,0,0]=4 10222 B14R1.727 OC[C@H](O)COc1ccc(nc1Br)F 7a_100009887730_100009815848 [1,1,0,0,0,0|2,0,0]=4 10223 B14R1.727 OC[C@H](O)COc1ccc(nc1Br)I 34a_100000725334_100009815848 [1,1,0,0,0,0|2,0,0]=4 10224 B14R1.727 OC[C@H](O)COc1ccc(nc1Br)I 7a_100000725334_100009815848 [1,1,0,0,0,0|2,0,0]=4 10225 B14R1.727 OC[C@H](O)COc1ccc(nc1Cl)Br 34a_100010246206_100009815848 [1,1,0,0,0,0|2,0,0]=4 10226 B14R1.727 OC[C@H](O)COc1ccc(nc1Cl)Br 7a_100010246206_100009815848 [1,1,0,0,0,0|2,0,0]=4 10227 B14R1.727 OC[C@H](O)COc1ccc(nc1Cl)Cl 34a_100000101165_100009815848 [1,1,0,0,0,0|2,0,0]=4 10228 B14R1.727 OC[C@H](O)COc1ccc(nc1Cl)Cl 7a_100000101165_100009815848 [1,1,0,0,0,0|2,0,0]=4 10229 B14R1.727 OC[C@H](O)COc1ccc(nc1Cl)I 34a_100000721234_100009815848 [1,1,0,0,0,0|2,0,0]=4 10230 B14R1.727 OC[C@H](O)COc1ccc(nc1Cl)I 7a_100000721234_100009815848 [1,1,0,0,0,0|2,0,0]=4 10231 B14R1.727 OC[C@H](O)COc1ccc(nc1F)Br 34a_100009819667_100009815848 [1,1,0,0,0,0|2,0,0]=4 10232 B14R1.727 OC[C@H](O)COc1ccc(nc1F)Br 7a_100009819667_100009815848 [1,1,0,0,0,0|2,0,0]=4 10233 B14R1.727 OC[C@H](O)COc1ccc(nc1F)Cl 34a_100009880201_100009815848 [1,1,0,0,0,0|2,0,0]=4 10234 B14R1.727 OC[C@H](O)COc1ccc(nc1F)Cl 7a_100009880201_100009815848 [1,1,0,0,0,0|2,0,0]=4 10235 B14R1.727 OC[C@H](O)COc1ccc(nc1F)F 34a_100000101184_100009815848 [1,1,0,0,0,0|2,0,0]=4 10236 B14R1.727 OC[C@H](O)COc1ccc(nc1F)F 7a_100000101184_100009815848 [1,1,0,0,0,0|2,0,0]=4 10237 B14R1.727 OC[C@H](O)COc1ccc(nc1I)Br 34a_100010253912_100009815848 [1,1,0,0,0,0|2,0,0]=4 10238 B14R1.727 OC[C@H](O)COc1ccc(nc1I)Br 7a_100010253912_100009815848 [1,1,0,0,0,0|2,0,0]=4 10239 B14R1.727 OC[C@H](O)COc1ccc(nc1I)Cl 34a_100000696390_100009815848 [1,1,0,0,0,0|2,0,0]=4 10240 B14R1.727 OC[C@H](O)COc1ccc(nc1I)Cl 7a_100000696390_100009815848 [1,1,0,0,0,0|2,0,0]=4 10241 B14R1.727 OC[C@H](O)COc1ccc(nc1I)F 34a_100010382442_100009815848 [1,1,0,0,0,0|2,0,0]=4 10242 B14R1.727 OC[C@H](O)COc1ccc(nc1I)F 7a_100010382442_100009815848 [1,1,0,0,0,0|2,0,0]=4 10243 B14R1.727 OC[C@H](O)COc1cnc(cc1Cl)Cl 34a_100009868576_100009815848 [1,1,0,0,0,0|2,0,0]=4 10244 B14R1.727 OC[C@H](O)COc1cnc(cc1Cl)Cl 7a_100009868576_100009815848 [1,1,0,0,0,0|2,0,0]=4 10245 B14R1.727 OC[C@H](O)COc1cnc(cc1F)F 34a_100009885687_100009815848 [1,1,0,0,0,0|2,0,0]=4 10246 B14R1.727 OC[C@H](O)COc1cnc(cc1F)F 7a_100009885687_100009815848 [1,1,0,0,0,0|2,0,0]=4 10247 B14R1.727 OC[C@H](O)COc1cnc(cc1I)Cl 34a_100000698892_100009815848 [1,1,0,0,0,0|2,0,0]=4 10248 B14R1.727 OC[C@H](O)COc1cnc(cc1I)Cl 7a_100000698892_100009815848 [1,1,0,0,0,0|2,0,0]=4 10249 B14R1.727 OC[C@H](O)COc1ncc(cc1Br)Br 34a_100000701035_100009815848 [1,1,0,0,0,0|2,0,0]=4 10250 B14R1.727 OC[C@H](O)COc1ncc(cc1Cl)Br 34a_100012339560_100009815848 [1,1,0,0,0,0|2,0,0]=4 10251 B14R1.727 OC[C@H](O)COc1ncc(cc1Cl)F 34a_100009847679_100009815848 [1,1,0,0,0,0|2,0,0]=4 10252 B14R1.727 OC[C@H](O)COc1ncc(cc1F)Cl 34a_100011998252_100009815848 [1,1,0,0,0,0|2,0,0]=4 10253 B14R1.727 OC[C@H](O)COc1ncc(cc1F)F 34a_100012025737_100009815848 [1,1,0,0,0,0|2,0,0]=4 10254 B14R1.727 OC[C@H](O)CSc1ccc(cc1Br)Br 62a_100009815848_100011484698 [1,1,0,0,0,0|1,1,0]=4 10255 B14R1.727 OC[C@H](O)CSc1ccc(cc1Br)Br 62a_100011484698_100009815848 [1,1,0,0,0,0|1,1,0]=4 10256 B14R1.727 OC[C@H](O)CSc1ccc(cc1Br)Cl 62a_100009815848_100011219703 [1,1,0,0,0,0|1,1,0]=4 10257 B14R1.727 OC[C@H](O)CSc1ccc(cc1Br)Cl 62a_100011219703_100009815848 [1,1,0,0,0,0|1,1,0]=4 10258 B14R1.727 OC[C@H](O)CSc1ccc(cc1Br)F 62a_100009815848_100011217111 [1,1,0,0,0,0|1,1,0]=4 10259 B14R1.727 OC[C@H](O)CSc1ccc(cc1Br)F 62a_100011217111_100009815848 [1,1,0,0,0,0|1,1,0]=4 10260 B14R1.727 OC[C@H](O)CSc1ccc(cc1Br)O 62a_100000701344_100009815848 [1,1,0,0,0,0|1,1,0]=4 10261 B14R1.727 OC[C@H](O)CSc1ccc(cc1Br)O 62a_100009815848_100000701344 [1,1,0,0,0,0|1,1,0]=4 10262 B14R1.727 OC[C@H](O)CSc1ccc(cc1Cl)Br 62a_100009815848_100011216062 [1,1,0,0,0,0|1,1,0]=4 10263 B14R1.727 OC[C@H](O)CSc1ccc(cc1Cl)Br 62a_100011216062_100009815848 [1,1,0,0,0,0|1,1,0]=4 10264 B14R1.727 OC[C@H](O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100009815848 [1,1,0,0,0,0|1,1,0]=4 10265 B14R1.727 OC[C@H](O)CSc1ccc(cc1Cl)Cl 62a_100009815848_100000699841 [1,1,0,0,0,0|1,1,0]=4 10266 B14R1.727 OC[C@H](O)CSc1ccc(cc1Cl)F 62a_100000733362_100009815848 [1,1,0,0,0,0|1,1,0]=4 10267 B14R1.727 OC[C@H](O)CSc1ccc(cc1Cl)F 62a_100009815848_100000733362 [1,1,0,0,0,0|1,1,0]=4 10268 B14R1.727 OC[C@H](O)CSc1ccc(cc1Cl)O 62a_100000047559_100009815848 [1,1,0,0,0,0|1,1,0]=4 10269 B14R1.727 OC[C@H](O)CSc1ccc(cc1Cl)O 62a_100009815848_100000047559 [1,1,0,0,0,0|1,1,0]=4 10270 B14R1.727 OC[C@H](O)CSc1ccc(cc1F)Br 62a_100009814013_100009815848 [1,1,0,0,0,0|1,1,0]=4 10271 B14R1.727 OC[C@H](O)CSc1ccc(cc1F)Br 62a_100009815848_100009814013 [1,1,0,0,0,0|1,1,0]=4 10272 B14R1.727 OC[C@H](O)CSc1ccc(cc1F)Cl 62a_100009815848_100011216042 [1,1,0,0,0,0|1,1,0]=4 10273 B14R1.727 OC[C@H](O)CSc1ccc(cc1F)Cl 62a_100011216042_100009815848 [1,1,0,0,0,0|1,1,0]=4 10274 B14R1.727 OC[C@H](O)CSc1ccc(cc1F)F 62a_100000750030_100009815848 [1,1,0,0,0,0|1,1,0]=4 10275 B14R1.727 OC[C@H](O)CSc1ccc(cc1F)F 62a_100009815848_100000750030 [1,1,0,0,0,0|1,1,0]=4 10276 B14R1.727 OC[C@H](O)CSc1ccc(cc1F)O 62a_100000755031_100009815848 [1,1,0,0,0,0|1,1,0]=4 10277 B14R1.727 OC[C@H](O)CSc1ccc(cc1F)O 62a_100009815848_100000755031 [1,1,0,0,0,0|1,1,0]=4 10278 B14R1.727 OC[C@H](O)CSc1ccc(cc1O)Br 62a_100009815848_100012344904 [1,1,0,0,0,0|0,1,0]=3 10279 B14R1.727 OC[C@H](O)CSc1ccc(cc1O)Br 62a_100012344904_100009815848 [1,1,0,0,0,0|0,1,0]=3 10280 B14R1.727 OC[C@H](O)CSc1ccc(cc1O)Cl 62a_100000050036_100009815848 [1,1,0,0,0,0|0,1,0]=3 10281 B14R1.727 OC[C@H](O)CSc1ccc(cc1O)Cl 62a_100009815848_100000050036 [1,1,0,0,0,0|0,1,0]=3 10282 B14R1.727 OC[C@H](O)CSc1ccc(cc1O)F 62a_100000690578_100009815848 [1,1,0,0,0,0|0,1,0]=3 10283 B14R1.727 OC[C@H](O)CSc1ccc(cc1O)F 62a_100009815848_100000690578 [1,1,0,0,0,0|0,1,0]=3 10284 B14R1.727 OC[C@H](O)CSc1ccc(cc1O)O 62a_100009815848_100009813921 [1,1,0,0,0,0|0,1,0]=3 10285 B14R1.727 OC[C@H](O)CSc1ncc(cc1O)Br 62a_100009815848_100010210634 [1,1,0,0,0,0|1,1,0]=4 10286 B14R1.727 OC[C@H](O)CSc1ncc(cc1O)Br 62a_100010210634_100009815848 [1,1,0,0,0,0|1,1,0]=4 10287 B14R1.727 OC[C@H](O)CSc1ncc(cc1O)Cl 62a_100009815848_100010233512 [1,1,0,0,0,0|1,1,0]=4 10288 B14R1.727 OC[C@H](O)CSc1ncc(cc1O)Cl 62a_100010233512_100009815848 [1,1,0,0,0,0|1,1,0]=4 10289 B14R1.727 OC[C@H](O)CSc1ncc(cc1O)F 62a_100009815848_100000079967 [1,1,0,0,0,0|1,1,0]=4 10290 B14R1.727 OC[C@H](O)CSc1ncc(cc1O)F 62a_100009820119_100009815848 [1,1,0,0,0,0|1,1,0]=4 10291 B14R1.727 O[C@@H](CF)COc1ccc(cc1Br)Br 34a_100000188717_100015614560 [1,1,0,0,0,0|2,0,0]=4 10292 B14R1.727 O[C@@H](CF)COc1ccc(cc1Br)Br 7a_100000188717_100015614560 [1,1,0,0,0,0|2,0,0]=4 10293 B14R1.727 O[C@@H](CF)COc1ccc(cc1Br)Cl 34a_100000211998_100015614560 [1,1,0,0,0,0|2,0,0]=4 10294 B14R1.727 O[C@@H](CF)COc1ccc(cc1Br)Cl 7a_100000211998_100015614560 [1,1,0,0,0,0|2,0,0]=4 10295 B14R1.727 O[C@@H](CF)COc1ccc(cc1Br)F 34a_100000211999_100015614560 [1,1,0,0,0,0|2,0,0]=4 10296 B14R1.727 O[C@@H](CF)COc1ccc(cc1Br)F 7a_100000211999_100015614560 [1,1,0,0,0,0|2,0,0]=4 10297 B14R1.727 O[C@@H](CF)COc1ccc(cc1Br)I 34a_100012361655_100015614560 [1,1,0,0,0,0|2,0,0]=4 10298 B14R1.727 O[C@@H](CF)COc1ccc(cc1Br)I 7a_100012361655_100015614560 [1,1,0,0,0,0|2,0,0]=4 10299 B14R1.727 O[C@@H](CF)COc1ccc(cc1Cl)Br 34a_100000186472_100015614560 [1,1,0,0,0,0|2,0,0]=4 10300 B14R1.727 O[C@@H](CF)COc1ccc(cc1Cl)Br 7a_100000186472_100015614560 [1,1,0,0,0,0|2,0,0]=4 10301 B14R1.727 O[C@@H](CF)COc1ccc(cc1Cl)Cl 34a_100015191787_100015614560 [1,1,0,0,0,0|2,0,0]=4 10302 B14R1.727 O[C@@H](CF)COc1ccc(cc1Cl)Cl 7a_100015191787_100015614560 [1,1,0,0,0,0|2,0,0]=4 10303 B14R1.727 O[C@@H](CF)COc1ccc(cc1Cl)F 34a_100000212004_100015614560 [1,1,0,0,0,0|2,0,0]=4 10304 B14R1.727 O[C@@H](CF)COc1ccc(cc1Cl)F 7a_100000212004_100015614560 [1,1,0,0,0,0|2,0,0]=4 10305 B14R1.727 O[C@@H](CF)COc1ccc(cc1Cl)I 34a_100012360047_100015614560 [1,1,0,0,0,0|2,0,0]=4 10306 B14R1.727 O[C@@H](CF)COc1ccc(cc1Cl)I 7a_100012360047_100015614560 [1,1,0,0,0,0|2,0,0]=4 10307 B14R1.727 O[C@@H](CF)COc1ccc(cc1F)Br 34a_100000185481_100015614560 [1,1,0,0,0,0|2,0,0]=4 10308 B14R1.727 O[C@@H](CF)COc1ccc(cc1F)Br 7a_100000185481_100015614560 [1,1,0,0,0,0|2,0,0]=4 10309 B14R1.727 O[C@@H](CF)COc1ccc(cc1F)Cl 34a_100000230166_100015614560 [1,1,0,0,0,0|2,0,0]=4 10310 B14R1.727 O[C@@H](CF)COc1ccc(cc1F)Cl 7a_100000230166_100015614560 [1,1,0,0,0,0|2,0,0]=4 10311 B14R1.727 O[C@@H](CF)COc1ccc(cc1F)F 34a_100000230127_100015614560 [1,1,0,0,0,0|2,0,0]=4 10312 B14R1.727 O[C@@H](CF)COc1ccc(cc1F)F 7a_100000230127_100015614560 [1,1,0,0,0,0|2,0,0]=4 10313 B14R1.727 O[C@@H](CF)COc1ccc(cc1F)I 34a_100011356965_100015614560 [1,1,0,0,0,0|2,0,0]=4 10314 B14R1.727 O[C@@H](CF)COc1ccc(cc1F)I 7a_100011356965_100015614560 [1,1,0,0,0,0|2,0,0]=4 10315 B14R1.727 O[C@@H](CF)COc1ccc(cc1I)Br 34a_100012355227_100015614560 [1,1,0,0,0,0|2,0,0]=4 10316 B14R1.727 O[C@@H](CF)COc1ccc(cc1I)Br 7a_100012355227_100015614560 [1,1,0,0,0,0|2,0,0]=4 10317 B14R1.727 O[C@@H](CF)COc1ccc(cc1I)Cl 34a_100011356953_100015614560 [1,1,0,0,0,0|2,0,0]=4 10318 B14R1.727 O[C@@H](CF)COc1ccc(cc1I)Cl 7a_100011356953_100015614560 [1,1,0,0,0,0|2,0,0]=4 10319 B14R1.727 O[C@@H](CF)COc1ccc(cc1I)F 34a_100012355409_100015614560 [1,1,0,0,0,0|2,0,0]=4 10320 B14R1.727 O[C@@H](CF)COc1ccc(cc1I)F 7a_100012355409_100015614560 [1,1,0,0,0,0|2,0,0]=4 10321 B14R1.727 O[C@@H](CF)COc1ccc(cc1I)I 7a_100010001573_100015614560 [1,1,0,0,0,0|2,0,0]=4 10322 B14R1.727 Oc1cc(ccc1NC[C@@H](O)CF)Br 34a_100000739049_100015614560 [1,1,0,0,0,0|2,0,0]=4 10323 B14R1.727 Oc1cc(ccc1NC[C@@H](O)CF)Cl 34a_100000185728_100015614560 [1,1,0,0,0,0|2,0,0]=4 10324 B14R1.727 Oc1cc(ccc1NC[C@@H](O)CF)F 34a_100000753323_100015614560 [1,1,0,0,0,0|2,0,0]=4 10325 B14R1.727 Oc1cc(ccc1SC[C@@H](O)CF)Br 62a_100012344904_100015614560 [1,1,0,0,0,0|1,1,0]=4 10326 B14R1.727 Oc1cc(ccc1SC[C@@H](O)CF)Br 62a_100015614560_100012344904 [1,1,0,0,0,0|1,1,0]=4 10327 B14R1.727 Oc1cc(ccc1SC[C@@H](O)CF)Cl 62a_100000050036_100015614560 [1,1,0,0,0,0|1,1,0]=4 10328 B14R1.727 Oc1cc(ccc1SC[C@@H](O)CF)Cl 62a_100015614560_100000050036 [1,1,0,0,0,0|1,1,0]=4 10329 B14R1.727 Oc1cc(ccc1SC[C@@H](O)CF)F 62a_100000690578_100015614560 [1,1,0,0,0,0|1,1,0]=4 10330 B14R1.727 Oc1cc(ccc1SC[C@@H](O)CF)F 62a_100015614560_100000690578 [1,1,0,0,0,0|1,1,0]=4 10331 B14R1.727 Oc1ccc(c(c1)O)NC[C@@H](O)CF 34a_100000106777_100015614560 [1,1,0,0,0,0|2,0,0]=4 10332 B14R1.727 Oc1ccc(c(c1)O)SC[C@@H](O)CF 62a_100015614560_100009813921 [1,1,0,0,0,0|1,1,0]=4 10333 B14R1.820 C=CC(O)COc1cc(ccc1C)Br 34a_100000685420_100000730141 [1,1,0,0,0,0|1,0,1]=4 10334 B14R1.820 C=CC(O)COc1cc(ccc1C)Br 7a_100000685420_100000730141 [1,1,0,0,0,0|1,0,1]=4 10335 B14R1.820 C=CC(O)COc1cc(ccc1C)C 34a_100000210931_100000730141 [1,1,0,0,0,0|1,0,1]=4 10336 B14R1.820 C=CC(O)COc1cc(ccc1C)C 7a_100000210931_100000730141 [1,1,0,0,0,0|1,0,1]=4 10337 B14R1.820 C=CC(O)COc1cc(ccc1C)Cl 34a_100000756515_100000730141 [1,1,0,0,0,0|1,0,1]=4 10338 B14R1.820 C=CC(O)COc1cc(ccc1C)Cl 7a_100000756515_100000730141 [1,1,0,0,0,0|1,0,1]=4 10339 B14R1.820 C=CC(O)COc1cc(ccc1C)F 34a_100000690566_100000730141 [1,1,0,0,0,0|1,0,1]=4 10340 B14R1.820 C=CC(O)COc1cc(ccc1C)F 7a_100000690566_100000730141 [1,1,0,0,0,0|1,0,1]=4 10341 B14R1.820 C=CC(O)COc1cc(ccc1C)I 7a_100000766334_100000730141 [1,1,0,0,0,0|1,0,1]=4 10342 B14R1.820 C=CC(O)COc1cc(ccc1C)N 34a_100000759471_100000730141 [1,1,0,0,0,0|1,0,1]=4 10343 B14R1.820 C=CC(O)COc1cc(ccc1C)N 7a_100000759471_100000730141 [1,1,0,0,0,0|1,0,1]=4 10344 B14R1.820 CCC(C)COc1cc(ccc1C)Br 34a_100000685420_100000748023 [1,1,0,0,0,0|2,0,0]=4 10345 B14R1.820 CCC(C)COc1cc(ccc1C)Br 7a_100000685420_100000748023 [1,1,0,0,0,0|2,0,0]=4 10346 B14R1.820 CCC(C)COc1cc(ccc1C)C 34a_100000210931_100000748023 [1,1,0,0,0,0|2,0,0]=4 10347 B14R1.820 CCC(C)COc1cc(ccc1C)C 7a_100000210931_100000748023 [1,1,0,0,0,0|2,0,0]=4 10348 B14R1.820 CCC(C)COc1cc(ccc1C)Cl 34a_100000756515_100000748023 [1,1,0,0,0,0|2,0,0]=4 10349 B14R1.820 CCC(C)COc1cc(ccc1C)Cl 7a_100000756515_100000748023 [1,1,0,0,0,0|2,0,0]=4 10350 B14R1.820 CCC(C)COc1cc(ccc1C)F 34a_100000690566_100000748023 [1,1,0,0,0,0|2,0,0]=4 10351 B14R1.820 CCC(C)COc1cc(ccc1C)F 7a_100000690566_100000748023 [1,1,0,0,0,0|2,0,0]=4 10352 B14R1.820 CCC(C)COc1cc(ccc1C)I 7a_100000766334_100000748023 [1,1,0,0,0,0|2,0,0]=4 10353 B14R1.820 CCC(C)COc1cc(ccc1C)N 34a_100000759471_100000748023 [1,1,0,0,0,0|2,0,0]=4 10354 B14R1.820 CCC(C)COc1cc(ccc1C)N 7a_100000759471_100000748023 [1,1,0,0,0,0|2,0,0]=4 10355 B14R1.820 CCC(O)CNc1cc(ccc1C)Br 34a_100000741167_100011218378 [1,1,0,0,0,0|2,0,0]=4 10356 B14R1.820 CCC(O)CNc1cc(ccc1C)Br 7a_100000741167_100011218378 [1,1,0,0,0,0|2,0,0]=4 10357 B14R1.820 CCC(O)CNc1cc(ccc1C)C 2230a_100000185781_100011218378 [1,1,0,0,0,0|2,0,0]=4 10358 B14R1.820 CCC(O)CNc1cc(ccc1C)C 34a_100000185781_100011218378 [1,1,0,0,0,0|2,0,0]=4 10359 B14R1.820 CCC(O)CNc1cc(ccc1C)C 7a_100000185781_100011218378 [1,1,0,0,0,0|2,0,0]=4 10360 B14R1.820 CCC(O)CNc1cc(ccc1C)Cl 34a_100000211374_100011218378 [1,1,0,0,0,0|2,0,0]=4 10361 B14R1.820 CCC(O)CNc1cc(ccc1C)Cl 7a_100000211374_100011218378 [1,1,0,0,0,0|2,0,0]=4 10362 B14R1.820 CCC(O)CNc1cc(ccc1C)F 34a_100000211107_100011218378 [1,1,0,0,0,0|2,0,0]=4 10363 B14R1.820 CCC(O)CNc1cc(ccc1C)F 7a_100000211107_100011218378 [1,1,0,0,0,0|2,0,0]=4 10364 B14R1.820 CCC(O)CNc1cc(ccc1C)I 7a_100000761890_100011218378 [1,1,0,0,0,0|2,0,0]=4 10365 B14R1.820 CCC(O)CNc1cc(ccc1C)O 34a_100011216113_100011218378 [1,1,0,0,0,0|2,0,0]=4 10366 B14R1.820 CCC(O)CNc1cc(ccc1O)Br 34a_100000752626_100011218378 [1,1,0,0,0,0|2,0,0]=4 10367 B14R1.820 CCC(O)CNc1cc(ccc1O)C 34a_100011215204_100011218378 [1,1,0,0,0,0|2,0,0]=4 10368 B14R1.820 CCC(O)CNc1cc(ccc1O)Cl 34a_100000210500_100011218378 [1,1,0,0,0,0|2,0,0]=4 10369 B14R1.820 CCC(O)CNc1cc(ccc1O)F 34a_100000759472_100011218378 [1,1,0,0,0,0|2,0,0]=4 10370 B14R1.820 CCC(O)COc1cc(ccc1Br)Br 34a_100011220040_100011218378 [1,1,0,0,0,0|2,0,0]=4 10371 B14R1.820 CCC(O)COc1cc(ccc1Br)Br 7a_100011220040_100011218378 [1,1,0,0,0,0|2,0,0]=4 10372 B14R1.820 CCC(O)COc1cc(ccc1Br)C 34a_100012002257_100011218378 [1,1,0,0,0,0|2,0,0]=4 10373 B14R1.820 CCC(O)COc1cc(ccc1Br)C 7a_100012002257_100011218378 [1,1,0,0,0,0|2,0,0]=4 10374 B14R1.820 CCC(O)COc1cc(ccc1Br)Cl 34a_100012339455_100011218378 [1,1,0,0,0,0|2,0,0]=4 10375 B14R1.820 CCC(O)COc1cc(ccc1Br)Cl 7a_100012339455_100011218378 [1,1,0,0,0,0|2,0,0]=4 10376 B14R1.820 CCC(O)COc1cc(ccc1Br)F 34a_100000690578_100011218378 [1,1,0,0,0,0|2,0,0]=4 10377 B14R1.820 CCC(O)COc1cc(ccc1Br)F 7a_100000690578_100011218378 [1,1,0,0,0,0|2,0,0]=4 10378 B14R1.820 CCC(O)COc1cc(ccc1Br)I 34a_100012356990_100011218378 [1,1,0,0,0,0|2,0,0]=4 10379 B14R1.820 CCC(O)COc1cc(ccc1Br)I 7a_100012356990_100011218378 [1,1,0,0,0,0|2,0,0]=4 10380 B14R1.820 CCC(O)COc1cc(ccc1C)Br 34a_100000685420_100011218378 [1,1,0,0,0,0|1,0,0]=3 10381 B14R1.820 CCC(O)COc1cc(ccc1C)Br 7a_100000685420_100011218378 [1,1,0,0,0,0|1,0,0]=3 10382 B14R1.820 CCC(O)COc1cc(ccc1C)C 34a_100000210931_100011218378 [1,1,0,0,0,0|1,0,0]=3 10383 B14R1.820 CCC(O)COc1cc(ccc1C)C 7a_100000210931_100011218378 [1,1,0,0,0,0|1,0,0]=3 10384 B14R1.820 CCC(O)COc1cc(ccc1C)Cl 34a_100000756515_100011218378 [1,1,0,0,0,0|1,0,0]=3 10385 B14R1.820 CCC(O)COc1cc(ccc1C)Cl 7a_100000756515_100011218378 [1,1,0,0,0,0|1,0,0]=3 10386 B14R1.820 CCC(O)COc1cc(ccc1C)F 34a_100000690566_100011218378 [1,1,0,0,0,0|1,0,0]=3 10387 B14R1.820 CCC(O)COc1cc(ccc1C)F 7a_100000690566_100011218378 [1,1,0,0,0,0|1,0,0]=3 10388 B14R1.820 CCC(O)COc1cc(ccc1C)I 7a_100000766334_100011218378 [1,1,0,0,0,0|1,0,0]=3 10389 B14R1.820 CCC(O)COc1cc(ccc1C)N 34a_100000759471_100011218378 [1,1,0,0,0,0|1,0,0]=3 10390 B14R1.820 CCC(O)COc1cc(ccc1C)N 7a_100000759471_100011218378 [1,1,0,0,0,0|1,0,0]=3 10391 B14R1.820 CCC(O)COc1cc(ccc1Cl)Br 34a_100000738945_100011218378 [1,1,0,0,0,0|2,0,0]=4 10392 B14R1.820 CCC(O)COc1cc(ccc1Cl)Br 7a_100000738945_100011218378 [1,1,0,0,0,0|2,0,0]=4 10393 B14R1.820 CCC(O)COc1cc(ccc1Cl)C 34a_100000211493_100011218378 [1,1,0,0,0,0|2,0,0]=4 10394 B14R1.820 CCC(O)COc1cc(ccc1Cl)C 7a_100000211493_100011218378 [1,1,0,0,0,0|2,0,0]=4 10395 B14R1.820 CCC(O)COc1cc(ccc1Cl)Cl 34a_100000211422_100011218378 [1,1,0,0,0,0|2,0,0]=4 10396 B14R1.820 CCC(O)COc1cc(ccc1Cl)Cl 7a_100000211422_100011218378 [1,1,0,0,0,0|2,0,0]=4 10397 B14R1.820 CCC(O)COc1cc(ccc1Cl)F 34a_100000692107_100011218378 [1,1,0,0,0,0|2,0,0]=4 10398 B14R1.820 CCC(O)COc1cc(ccc1Cl)F 7a_100000692107_100011218378 [1,1,0,0,0,0|2,0,0]=4 10399 B14R1.820 CCC(O)COc1cc(ccc1Cl)I 34a_100011356854_100011218378 [1,1,0,0,0,0|2,0,0]=4 10400 B14R1.820 CCC(O)COc1cc(ccc1Cl)I 7a_100011356854_100011218378 [1,1,0,0,0,0|2,0,0]=4 10401 B14R1.820 CCC(O)COc1cc(ccc1Cl)N 34a_100011934209_100011218378 [1,1,0,0,0,0|2,0,0]=4 10402 B14R1.820 CCC(O)COc1cc(ccc1F)Br 34a_100000686035_100011218378 [1,1,0,0,0,0|2,0,0]=4 10403 B14R1.820 CCC(O)COc1cc(ccc1F)Br 7a_100000686035_100011218378 [1,1,0,0,0,0|2,0,0]=4 10404 B14R1.820 CCC(O)COc1cc(ccc1F)C 34a_100000759540_100011218378 [1,1,0,0,0,0|2,0,0]=4 10405 B14R1.820 CCC(O)COc1cc(ccc1F)C 7a_100000759540_100011218378 [1,1,0,0,0,0|2,0,0]=4 10406 B14R1.820 CCC(O)COc1cc(ccc1F)Cl 34a_100000757397_100011218378 [1,1,0,0,0,0|2,0,0]=4 10407 B14R1.820 CCC(O)COc1cc(ccc1F)Cl 7a_100000757397_100011218378 [1,1,0,0,0,0|2,0,0]=4 10408 B14R1.820 CCC(O)COc1cc(ccc1F)F 34a_100000752141_100011218378 [1,1,0,0,0,0|2,0,0]=4 10409 B14R1.820 CCC(O)COc1cc(ccc1F)F 7a_100000752141_100011218378 [1,1,0,0,0,0|2,0,0]=4 10410 B14R1.820 CCC(O)COc1cc(ccc1F)I 34a_100009958187_100011218378 [1,1,0,0,0,0|2,0,0]=4 10411 B14R1.820 CCC(O)COc1cc(ccc1F)I 7a_100009958187_100011218378 [1,1,0,0,0,0|2,0,0]=4 10412 B14R1.820 CCC(O)COc1cc(ccc1F)N 34a_100012017398_100011218378 [1,1,0,0,0,0|2,0,0]=4 10413 B14R1.820 CCC(O)COc1cc(ccc1F)N 7a_100012017398_100011218378 [1,1,0,0,0,0|2,0,0]=4 10414 B14R1.820 CCC(O)COc1cc(ccc1I)Br 34a_100012344904_100011218378 [1,1,0,0,0,0|2,0,0]=4 10415 B14R1.820 CCC(O)COc1cc(ccc1I)Br 7a_100012344904_100011218378 [1,1,0,0,0,0|2,0,0]=4 10416 B14R1.820 CCC(O)COc1cc(ccc1I)Cl 34a_100000050036_100011218378 [1,1,0,0,0,0|2,0,0]=4 10417 B14R1.820 CCC(O)COc1cc(ccc1I)Cl 7a_100000050036_100011218378 [1,1,0,0,0,0|2,0,0]=4 10418 B14R1.820 CCC(O)COc1cc(ccc1I)F 34a_100010084537_100011218378 [1,1,0,0,0,0|2,0,0]=4 10419 B14R1.820 CCC(O)COc1cc(ccc1I)F 7a_100010084537_100011218378 [1,1,0,0,0,0|2,0,0]=4 10420 B14R1.820 CCC(O)COc1cc(ccc1N)Br 34a_100000739049_100011218378 [1,1,0,0,0,0|2,0,0]=4 10421 B14R1.820 CCC(O)COc1cc(ccc1N)Br 7a_100000739049_100011218378 [1,1,0,0,0,0|2,0,0]=4 10422 B14R1.820 CCC(O)COc1cc(ccc1N)C 34a_100000211527_100011218378 [1,1,0,0,0,0|2,0,0]=4 10423 B14R1.820 CCC(O)COc1cc(ccc1N)C 7a_100000211527_100011218378 [1,1,0,0,0,0|2,0,0]=4 10424 B14R1.820 CCC(O)COc1cc(ccc1N)Cl 34a_100000185728_100011218378 [1,1,0,0,0,0|2,0,0]=4 10425 B14R1.820 CCC(O)COc1cc(ccc1N)Cl 7a_100000185728_100011218378 [1,1,0,0,0,0|2,0,0]=4 10426 B14R1.820 CCC(O)COc1cc(ccc1N)F 34a_100000753323_100011218378 [1,1,0,0,0,0|2,0,0]=4 10427 B14R1.820 CCC(O)COc1cc(ccc1N)F 7a_100000753323_100011218378 [1,1,0,0,0,0|2,0,0]=4 10428 B14R1.820 CCC(O)COc1cc(ccc1N)I 34a_100000057187_100011218378 [1,1,0,0,0,0|2,0,0]=4 10429 B14R1.820 CCC(O)COc1cc(ccc1N)I 7a_100000057187_100011218378 [1,1,0,0,0,0|2,0,0]=4 10430 B14R1.820 CCC(O)COc1cc(ccc1N)N 34a_100025717382_100011218378 [1,1,0,0,0,0|2,0,0]=4 10431 B14R1.820 CCC(O)COc1cc(cnc1C)Br 34a_100009864810_100011218378 [1,1,0,0,0,0|2,0,0]=4 10432 B14R1.820 CCC(O)COc1cc(cnc1C)Br 7a_100009864810_100011218378 [1,1,0,0,0,0|2,0,0]=4 10433 B14R1.820 CCC(O)COc1cc(ncc1C)Br 34a_100000704368_100011218378 [1,1,0,0,0,0|2,0,0]=4 10434 B14R1.820 CCC(O)COc1cc(ncc1C)Br 7a_100000704368_100011218378 [1,1,0,0,0,0|2,0,0]=4 10435 B14R1.820 CCC(O)CSc1cc(ccc1C)Br 62a_100011218378_100011344865 [1,1,0,0,0,0|1,1,0]=4 10436 B14R1.820 CCC(O)CSc1cc(ccc1C)Br 62a_100011344865_100011218378 [1,1,0,0,0,0|1,1,0]=4 10437 B14R1.820 CCC(O)CSc1cc(ccc1C)C 62a_100000210833_100011218378 [1,1,0,0,0,0|1,1,0]=4 10438 B14R1.820 CCC(O)CSc1cc(ccc1C)C 62a_100011218378_100000210833 [1,1,0,0,0,0|1,1,0]=4 10439 B14R1.820 CCC(O)CSc1cc(ccc1C)Cl 62a_100011218378_100011263213 [1,1,0,0,0,0|1,1,0]=4 10440 B14R1.820 CCC(O)CSc1cc(ccc1C)Cl 62a_100011263213_100011218378 [1,1,0,0,0,0|1,1,0]=4 10441 B14R1.820 CCC(O)CSc1cc(ccc1C)F 62a_100011218078_100011218378 [1,1,0,0,0,0|1,1,0]=4 10442 B14R1.820 CCC(O)CSc1cc(ccc1C)F 62a_100011218378_100011218078 [1,1,0,0,0,0|1,1,0]=4 10443 B14R1.820 CCC(O)CSc1cc(ccc1C)N 62a_100000736455_100011218378 [1,1,0,0,0,0|1,1,0]=4 10444 B14R1.820 CCC(O)CSc1cc(ccc1C)N 62a_100011218378_100000736455 [1,1,0,0,0,0|1,1,0]=4 10445 B14R1.820 CCC(O)CSc1cc(ccc1C)O 62a_100011218378_100011380479 [1,1,0,0,0,0|1,1,0]=4 10446 B14R1.820 CCC(O)CSc1cc(ccc1C)O 62a_100011380479_100011218378 [1,1,0,0,0,0|1,1,0]=4 10447 B14R1.820 CCC(O)CSc1cc(ccc1O)Br 62a_100011218378_100012355227 [1,1,0,0,0,0|1,1,0]=4 10448 B14R1.820 CCC(O)CSc1cc(ccc1O)Br 62a_100012355227_100011218378 [1,1,0,0,0,0|1,1,0]=4 10449 B14R1.820 CCC(O)CSc1cc(ccc1O)C 62a_100000765521_100011218378 [1,1,0,0,0,0|1,1,0]=4 10450 B14R1.820 CCC(O)CSc1cc(ccc1O)C 62a_100011218378_100000765521 [1,1,0,0,0,0|1,1,0]=4 10451 B14R1.820 CCC(O)CSc1cc(ccc1O)Cl 62a_100011218378_100011356953 [1,1,0,0,0,0|1,1,0]=4 10452 B14R1.820 CCC(O)CSc1cc(ccc1O)Cl 62a_100011356953_100011218378 [1,1,0,0,0,0|1,1,0]=4 10453 B14R1.820 CCC(O)CSc1cc(ccc1O)F 62a_100000211999_100011218378 [1,1,0,0,0,0|1,1,0]=4 10454 B14R1.820 CCC(O)CSc1cc(ccc1O)F 62a_100011218378_100000211999 [1,1,0,0,0,0|1,1,0]=4 10455 B14R1.820 CCC(O)CSc1cc(ccc1O)N 62a_100011218378_100011534360 [1,1,0,0,0,0|1,1,0]=4 10456 B14R1.820 CCC(O)CSc1cc(ccc1O)N 62a_100011534360_100011218378 [1,1,0,0,0,0|1,1,0]=4 10457 B14R1.820 CCC(O)CSc1cc(ccc1O)O 62a_100011218378_100009813629 [1,1,0,0,0,0|1,1,0]=4 10458 B14R1.820 CC[C@H](C)COc1cc(ccc1C)Br 34a_100000685420_100009816398 [1,1,0,0,0,0|2,0,0]=4 10459 B14R1.820 CC[C@H](C)COc1cc(ccc1C)Br 7a_100000685420_100009816398 [1,1,0,0,0,0|2,0,0]=4 10460 B14R1.820 CC[C@H](C)COc1cc(ccc1C)C 34a_100000210931_100009816398 [1,1,0,0,0,0|2,0,0]=4 10461 B14R1.820 CC[C@H](C)COc1cc(ccc1C)C 7a_100000210931_100009816398 [1,1,0,0,0,0|2,0,0]=4 10462 B14R1.820 CC[C@H](C)COc1cc(ccc1C)Cl 34a_100000756515_100009816398 [1,1,0,0,0,0|2,0,0]=4 10463 B14R1.820 CC[C@H](C)COc1cc(ccc1C)Cl 7a_100000756515_100009816398 [1,1,0,0,0,0|2,0,0]=4 10464 B14R1.820 CC[C@H](C)COc1cc(ccc1C)F 34a_100000690566_100009816398 [1,1,0,0,0,0|2,0,0]=4 10465 B14R1.820 CC[C@H](C)COc1cc(ccc1C)F 7a_100000690566_100009816398 [1,1,0,0,0,0|2,0,0]=4 10466 B14R1.820 CC[C@H](C)COc1cc(ccc1C)I 7a_100000766334_100009816398 [1,1,0,0,0,0|2,0,0]=4 10467 B14R1.820 CC[C@H](C)COc1cc(ccc1C)N 34a_100000759471_100009816398 [1,1,0,0,0,0|2,0,0]=4 10468 B14R1.820 CC[C@H](C)COc1cc(ccc1C)N 7a_100000759471_100009816398 [1,1,0,0,0,0|2,0,0]=4 10469 B14R1.820 C[C@@H](CO)CNc1cc(ccc1O)Br 34a_100000752626_100000059175 [1,1,0,0,0,0|2,0,0]=4 10470 B14R1.820 C[C@@H](CO)CNc1cc(ccc1O)Cl 34a_100000210500_100000059175 [1,1,0,0,0,0|2,0,0]=4 10471 B14R1.820 C[C@@H](CO)CNc1cc(ccc1O)F 34a_100000759472_100000059175 [1,1,0,0,0,0|2,0,0]=4 10472 B14R1.820 C[C@@H](CO)COc1cc(ccc1Br)Br 34a_100011220040_100000059175 [1,1,0,0,0,0|2,0,0]=4 10473 B14R1.820 C[C@@H](CO)COc1cc(ccc1Br)Br 7a_100011220040_100000059175 [1,1,0,0,0,0|2,0,0]=4 10474 B14R1.820 C[C@@H](CO)COc1cc(ccc1Br)Cl 34a_100012339455_100000059175 [1,1,0,0,0,0|2,0,0]=4 10475 B14R1.820 C[C@@H](CO)COc1cc(ccc1Br)Cl 7a_100012339455_100000059175 [1,1,0,0,0,0|2,0,0]=4 10476 B14R1.820 C[C@@H](CO)COc1cc(ccc1Br)F 34a_100000690578_100000059175 [1,1,0,0,0,0|2,0,0]=4 10477 B14R1.820 C[C@@H](CO)COc1cc(ccc1Br)F 7a_100000690578_100000059175 [1,1,0,0,0,0|2,0,0]=4 10478 B14R1.820 C[C@@H](CO)COc1cc(ccc1Br)I 34a_100012356990_100000059175 [1,1,0,0,0,0|2,0,0]=4 10479 B14R1.820 C[C@@H](CO)COc1cc(ccc1Br)I 7a_100012356990_100000059175 [1,1,0,0,0,0|2,0,0]=4 10480 B14R1.820 C[C@@H](CO)COc1cc(ccc1Cl)Br 34a_100000738945_100000059175 [1,1,0,0,0,0|2,0,0]=4 10481 B14R1.820 C[C@@H](CO)COc1cc(ccc1Cl)Br 7a_100000738945_100000059175 [1,1,0,0,0,0|2,0,0]=4 10482 B14R1.820 C[C@@H](CO)COc1cc(ccc1Cl)Cl 34a_100000211422_100000059175 [1,1,0,0,0,0|2,0,0]=4 10483 B14R1.820 C[C@@H](CO)COc1cc(ccc1Cl)Cl 7a_100000211422_100000059175 [1,1,0,0,0,0|2,0,0]=4 10484 B14R1.820 C[C@@H](CO)COc1cc(ccc1Cl)F 34a_100000692107_100000059175 [1,1,0,0,0,0|2,0,0]=4 10485 B14R1.820 C[C@@H](CO)COc1cc(ccc1Cl)F 7a_100000692107_100000059175 [1,1,0,0,0,0|2,0,0]=4 10486 B14R1.820 C[C@@H](CO)COc1cc(ccc1Cl)I 34a_100011356854_100000059175 [1,1,0,0,0,0|2,0,0]=4 10487 B14R1.820 C[C@@H](CO)COc1cc(ccc1Cl)I 7a_100011356854_100000059175 [1,1,0,0,0,0|2,0,0]=4 10488 B14R1.820 C[C@@H](CO)COc1cc(ccc1Cl)N 34a_100011934209_100000059175 [1,1,0,0,0,0|2,0,0]=4 10489 B14R1.820 C[C@@H](CO)COc1cc(ccc1F)Br 34a_100000686035_100000059175 [1,1,0,0,0,0|2,0,0]=4 10490 B14R1.820 C[C@@H](CO)COc1cc(ccc1F)Br 7a_100000686035_100000059175 [1,1,0,0,0,0|2,0,0]=4 10491 B14R1.820 C[C@@H](CO)COc1cc(ccc1F)Cl 34a_100000757397_100000059175 [1,1,0,0,0,0|2,0,0]=4 10492 B14R1.820 C[C@@H](CO)COc1cc(ccc1F)Cl 7a_100000757397_100000059175 [1,1,0,0,0,0|2,0,0]=4 10493 B14R1.820 C[C@@H](CO)COc1cc(ccc1F)F 34a_100000752141_100000059175 [1,1,0,0,0,0|2,0,0]=4 10494 B14R1.820 C[C@@H](CO)COc1cc(ccc1F)F 7a_100000752141_100000059175 [1,1,0,0,0,0|2,0,0]=4 10495 B14R1.820 C[C@@H](CO)COc1cc(ccc1F)I 34a_100009958187_100000059175 [1,1,0,0,0,0|2,0,0]=4 10496 B14R1.820 C[C@@H](CO)COc1cc(ccc1F)I 7a_100009958187_100000059175 [1,1,0,0,0,0|2,0,0]=4 10497 B14R1.820 C[C@@H](CO)COc1cc(ccc1F)N 34a_100012017398_100000059175 [1,1,0,0,0,0|2,0,0]=4 10498 B14R1.820 C[C@@H](CO)COc1cc(ccc1F)N 7a_100012017398_100000059175 [1,1,0,0,0,0|2,0,0]=4 10499 B14R1.820 C[C@@H](CO)COc1cc(ccc1I)Br 34a_100012344904_100000059175 [1,1,0,0,0,0|2,0,0]=4 10500 B14R1.820 C[C@@H](CO)COc1cc(ccc1I)Br 7a_100012344904_100000059175 [1,1,0,0,0,0|2,0,0]=4 10501 B14R1.820 C[C@@H](CO)COc1cc(ccc1I)Cl 34a_100000050036_100000059175 [1,1,0,0,0,0|2,0,0]=4 10502 B14R1.820 C[C@@H](CO)COc1cc(ccc1I)Cl 7a_100000050036_100000059175 [1,1,0,0,0,0|2,0,0]=4 10503 B14R1.820 C[C@@H](CO)COc1cc(ccc1I)F 34a_100010084537_100000059175 [1,1,0,0,0,0|2,0,0]=4 10504 B14R1.820 C[C@@H](CO)COc1cc(ccc1I)F 7a_100010084537_100000059175 [1,1,0,0,0,0|2,0,0]=4 10505 B14R1.820 C[C@@H](CO)COc1cc(ccc1N)Br 34a_100000739049_100000059175 [1,1,0,0,0,0|2,0,0]=4 10506 B14R1.820 C[C@@H](CO)COc1cc(ccc1N)Br 7a_100000739049_100000059175 [1,1,0,0,0,0|2,0,0]=4 10507 B14R1.820 C[C@@H](CO)COc1cc(ccc1N)Cl 34a_100000185728_100000059175 [1,1,0,0,0,0|2,0,0]=4 10508 B14R1.820 C[C@@H](CO)COc1cc(ccc1N)Cl 7a_100000185728_100000059175 [1,1,0,0,0,0|2,0,0]=4 10509 B14R1.820 C[C@@H](CO)COc1cc(ccc1N)F 34a_100000753323_100000059175 [1,1,0,0,0,0|2,0,0]=4 10510 B14R1.820 C[C@@H](CO)COc1cc(ccc1N)F 7a_100000753323_100000059175 [1,1,0,0,0,0|2,0,0]=4 10511 B14R1.820 C[C@@H](CO)COc1cc(ccc1N)I 34a_100000057187_100000059175 [1,1,0,0,0,0|2,0,0]=4 10512 B14R1.820 C[C@@H](CO)COc1cc(ccc1N)I 7a_100000057187_100000059175 [1,1,0,0,0,0|2,0,0]=4 10513 B14R1.820 C[C@@H](CO)COc1cc(ccc1N)N 34a_100025717382_100000059175 [1,1,0,0,0,0|2,0,0]=4 10514 B14R1.820 C[C@@H](CO)CSc1cc(ccc1O)Br 62a_100000059175_100012355227 [1,1,0,0,0,0|1,1,0]=4 10515 B14R1.820 C[C@@H](CO)CSc1cc(ccc1O)Br 62a_100012355227_100000059175 [1,1,0,0,0,0|1,1,0]=4 10516 B14R1.820 C[C@@H](CO)CSc1cc(ccc1O)Cl 62a_100000059175_100011356953 [1,1,0,0,0,0|1,1,0]=4 10517 B14R1.820 C[C@@H](CO)CSc1cc(ccc1O)Cl 62a_100011356953_100000059175 [1,1,0,0,0,0|1,1,0]=4 10518 B14R1.820 C[C@@H](CO)CSc1cc(ccc1O)F 62a_100000059175_100000211999 [1,1,0,0,0,0|1,1,0]=4 10519 B14R1.820 C[C@@H](CO)CSc1cc(ccc1O)F 62a_100000211999_100000059175 [1,1,0,0,0,0|1,1,0]=4 10520 B14R1.820 C[C@@H](CO)CSc1cc(ccc1O)N 62a_100000059175_100011534360 [1,1,0,0,0,0|1,1,0]=4 10521 B14R1.820 C[C@@H](CO)CSc1cc(ccc1O)N 62a_100011534360_100000059175 [1,1,0,0,0,0|1,1,0]=4 10522 B14R1.820 C[C@@H](CO)CSc1cc(ccc1O)O 62a_100000059175_100009813629 [1,1,0,0,0,0|1,1,0]=4 10523 B14R1.820 Cc1cc(c(cn1)Br)OCC(O)CO 34a_100011016184_100011219619 [1,1,0,0,0,0|2,0,0]=4 10524 B14R1.820 Cc1cc(c(cn1)Br)OC[C@@H](O)CO 34a_100011016184_100009815848 [1,1,0,0,0,0|2,0,0]=4 10525 B14R1.820 Cc1cc(c(cn1)C)SCC(O)CO 62a_100009862788_100011219619 [1,1,0,0,0,0|1,1,0]=4 10526 B14R1.820 Cc1cc(c(cn1)C)SCC(O)CO 62a_100011219619_100009862788 [1,1,0,0,0,0|1,1,0]=4 10527 B14R1.820 Cc1cc(c(cn1)C)SC[C@@H](O)CO 62a_100009815848_100009862788 [1,1,0,0,0,0|1,1,0]=4 10528 B14R1.820 Cc1cc(c(cn1)C)SC[C@@H](O)CO 62a_100009862788_100009815848 [1,1,0,0,0,0|1,1,0]=4 10529 B14R1.820 Cc1cc(c(cn1)O)SCC(O)CO 62a_100009843476_100011219619 [1,1,0,0,0,0|1,1,0]=4 10530 B14R1.820 Cc1cc(c(cn1)O)SCC(O)CO 62a_100011219619_100009843476 [1,1,0,0,0,0|1,1,0]=4 10531 B14R1.820 Cc1cc(c(cn1)O)SC[C@@H](O)CO 62a_100009815848_100009843476 [1,1,0,0,0,0|1,1,0]=4 10532 B14R1.820 Cc1cc(c(cn1)O)SC[C@@H](O)CO 62a_100009843476_100009815848 [1,1,0,0,0,0|1,1,0]=4 10533 B14R1.820 Cc1ccc(c(c1)NCC(O)CO)Br 34a_100000745044_100011219619 [1,1,0,0,0,0|2,0,0]=4 10534 B14R1.820 Cc1ccc(c(c1)NCC(O)CO)C 2230a_100000185781_100011219619 [1,1,0,0,0,0|1,0,0]=3 10535 B14R1.820 Cc1ccc(c(c1)NCC(O)CO)C 34a_100000185781_100011219619 [1,1,0,0,0,0|1,0,0]=3 10536 B14R1.820 Cc1ccc(c(c1)NCC(O)CO)C 7a_100000185781_100011219619 [1,1,0,0,0,0|1,0,0]=3 10537 B14R1.820 Cc1ccc(c(c1)NCC(O)CO)Cl 34a_100011215360_100011219619 [1,1,0,0,0,0|2,0,0]=4 10538 B14R1.820 Cc1ccc(c(c1)NCC(O)CO)F 34a_100000211285_100011219619 [1,1,0,0,0,0|2,0,0]=4 10539 B14R1.820 Cc1ccc(c(c1)NCC(O)CO)I 34a_100011216686_100011219619 [1,1,0,0,0,0|2,0,0]=4 10540 B14R1.820 Cc1ccc(c(c1)NCC(O)CO)O 34a_100011215204_100011219619 [1,1,0,0,0,0|1,0,0]=3 10541 B14R1.820 Cc1ccc(c(c1)NC[C@@H](C)CO)C 2230a_100000185781_100000059175 [1,1,0,0,0,0|2,0,0]=4 10542 B14R1.820 Cc1ccc(c(c1)NC[C@@H](C)CO)C 34a_100000185781_100000059175 [1,1,0,0,0,0|2,0,0]=4 10543 B14R1.820 Cc1ccc(c(c1)NC[C@@H](C)CO)C 7a_100000185781_100000059175 [1,1,0,0,0,0|2,0,0]=4 10544 B14R1.820 Cc1ccc(c(c1)NC[C@@H](C)CO)O 34a_100011215204_100000059175 [1,1,0,0,0,0|2,0,0]=4 10545 B14R1.820 Cc1ccc(c(c1)NC[C@@H](O)CF)C 2230a_100000185781_100015614560 [1,1,0,0,0,0|2,0,0]=4 10546 B14R1.820 Cc1ccc(c(c1)NC[C@@H](O)CF)C 34a_100000185781_100015614560 [1,1,0,0,0,0|2,0,0]=4 10547 B14R1.820 Cc1ccc(c(c1)NC[C@@H](O)CF)C 7a_100000185781_100015614560 [1,1,0,0,0,0|2,0,0]=4 10548 B14R1.820 Cc1ccc(c(c1)NC[C@@H](O)CF)O 34a_100011215204_100015614560 [1,1,0,0,0,0|2,0,0]=4 10549 B14R1.820 Cc1ccc(c(c1)NC[C@@H](O)CO)Br 34a_100000745044_100009815848 [1,1,0,0,0,0|2,0,0]=4 10550 B14R1.820 Cc1ccc(c(c1)NC[C@@H](O)CO)C 2230a_100000185781_100009815848 [1,1,0,0,0,0|1,0,0]=3 10551 B14R1.820 Cc1ccc(c(c1)NC[C@@H](O)CO)C 34a_100000185781_100009815848 [1,1,0,0,0,0|1,0,0]=3 10552 B14R1.820 Cc1ccc(c(c1)NC[C@@H](O)CO)C 7a_100000185781_100009815848 [1,1,0,0,0,0|1,0,0]=3 10553 B14R1.820 Cc1ccc(c(c1)NC[C@@H](O)CO)Cl 34a_100011215360_100009815848 [1,1,0,0,0,0|2,0,0]=4 10554 B14R1.820 Cc1ccc(c(c1)NC[C@@H](O)CO)F 34a_100000211285_100009815848 [1,1,0,0,0,0|2,0,0]=4 10555 B14R1.820 Cc1ccc(c(c1)NC[C@@H](O)CO)I 34a_100011216686_100009815848 [1,1,0,0,0,0|2,0,0]=4 10556 B14R1.820 Cc1ccc(c(c1)NC[C@@H](O)CO)O 34a_100011215204_100009815848 [1,1,0,0,0,0|1,0,0]=3 10557 B14R1.820 Cc1ccc(c(c1)OCC(O)CO)Br 34a_100012002257_100011219619 [1,1,0,0,0,0|1,0,0]=3 10558 B14R1.820 Cc1ccc(c(c1)OCC(O)CO)Br 7a_100012002257_100011219619 [1,1,0,0,0,0|1,0,0]=3 10559 B14R1.820 Cc1ccc(c(c1)OCC(O)CO)C 34a_100000210931_100011219619 [1,1,0,0,0,0|0,0,0]=2 10560 B14R1.820 Cc1ccc(c(c1)OCC(O)CO)C 7a_100000210931_100011219619 [1,1,0,0,0,0|0,0,0]=2 10561 B14R1.820 Cc1ccc(c(c1)OCC(O)CO)Cl 34a_100000211493_100011219619 [1,1,0,0,0,0|1,0,0]=3 10562 B14R1.820 Cc1ccc(c(c1)OCC(O)CO)Cl 7a_100000211493_100011219619 [1,1,0,0,0,0|1,0,0]=3 10563 B14R1.820 Cc1ccc(c(c1)OCC(O)CO)F 34a_100000759540_100011219619 [1,1,0,0,0,0|1,0,0]=3 10564 B14R1.820 Cc1ccc(c(c1)OCC(O)CO)F 7a_100000759540_100011219619 [1,1,0,0,0,0|1,0,0]=3 10565 B14R1.820 Cc1ccc(c(c1)OCC(O)CO)N 34a_100000211527_100011219619 [1,1,0,0,0,0|1,0,0]=3 10566 B14R1.820 Cc1ccc(c(c1)OCC(O)CO)N 7a_100000211527_100011219619 [1,1,0,0,0,0|1,0,0]=3 10567 B14R1.820 Cc1ccc(c(c1)OC[C@@H](C)CO)Br 34a_100012002257_100000059175 [1,1,0,0,0,0|2,0,0]=4 10568 B14R1.820 Cc1ccc(c(c1)OC[C@@H](C)CO)Br 7a_100012002257_100000059175 [1,1,0,0,0,0|2,0,0]=4 10569 B14R1.820 Cc1ccc(c(c1)OC[C@@H](C)CO)C 34a_100000210931_100000059175 [1,1,0,0,0,0|1,0,0]=3 10570 B14R1.820 Cc1ccc(c(c1)OC[C@@H](C)CO)C 7a_100000210931_100000059175 [1,1,0,0,0,0|1,0,0]=3 10571 B14R1.820 Cc1ccc(c(c1)OC[C@@H](C)CO)Cl 34a_100000211493_100000059175 [1,1,0,0,0,0|2,0,0]=4 10572 B14R1.820 Cc1ccc(c(c1)OC[C@@H](C)CO)Cl 7a_100000211493_100000059175 [1,1,0,0,0,0|2,0,0]=4 10573 B14R1.820 Cc1ccc(c(c1)OC[C@@H](C)CO)F 34a_100000759540_100000059175 [1,1,0,0,0,0|2,0,0]=4 10574 B14R1.820 Cc1ccc(c(c1)OC[C@@H](C)CO)F 7a_100000759540_100000059175 [1,1,0,0,0,0|2,0,0]=4 10575 B14R1.820 Cc1ccc(c(c1)OC[C@@H](C)CO)N 34a_100000211527_100000059175 [1,1,0,0,0,0|2,0,0]=4 10576 B14R1.820 Cc1ccc(c(c1)OC[C@@H](C)CO)N 7a_100000211527_100000059175 [1,1,0,0,0,0|2,0,0]=4 10577 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CF)Br 34a_100012002257_100015614560 [1,1,0,0,0,0|2,0,0]=4 10578 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CF)Br 7a_100012002257_100015614560 [1,1,0,0,0,0|2,0,0]=4 10579 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CF)C 34a_100000210931_100015614560 [1,1,0,0,0,0|1,0,0]=3 10580 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CF)C 7a_100000210931_100015614560 [1,1,0,0,0,0|1,0,0]=3 10581 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CF)Cl 34a_100000211493_100015614560 [1,1,0,0,0,0|2,0,0]=4 10582 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CF)Cl 7a_100000211493_100015614560 [1,1,0,0,0,0|2,0,0]=4 10583 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CF)F 34a_100000759540_100015614560 [1,1,0,0,0,0|2,0,0]=4 10584 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CF)F 7a_100000759540_100015614560 [1,1,0,0,0,0|2,0,0]=4 10585 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CF)N 34a_100000211527_100015614560 [1,1,0,0,0,0|2,0,0]=4 10586 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CF)N 7a_100000211527_100015614560 [1,1,0,0,0,0|2,0,0]=4 10587 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CO)Br 34a_100012002257_100009815848 [1,1,0,0,0,0|1,0,0]=3 10588 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CO)Br 7a_100012002257_100009815848 [1,1,0,0,0,0|1,0,0]=3 10589 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CO)C 34a_100000210931_100009815848 [1,1,0,0,0,0|0,0,0]=2 10590 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CO)C 7a_100000210931_100009815848 [1,1,0,0,0,0|0,0,0]=2 10591 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CO)Cl 34a_100000211493_100009815848 [1,1,0,0,0,0|1,0,0]=3 10592 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CO)Cl 7a_100000211493_100009815848 [1,1,0,0,0,0|1,0,0]=3 10593 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CO)F 34a_100000759540_100009815848 [1,1,0,0,0,0|1,0,0]=3 10594 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CO)F 7a_100000759540_100009815848 [1,1,0,0,0,0|1,0,0]=3 10595 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CO)N 34a_100000211527_100009815848 [1,1,0,0,0,0|1,0,0]=3 10596 B14R1.820 Cc1ccc(c(c1)OC[C@@H](O)CO)N 7a_100000211527_100009815848 [1,1,0,0,0,0|1,0,0]=3 10597 B14R1.820 Cc1ccc(c(c1)SCC(O)CO)Br 62a_100011219619_100012353751 [1,1,0,0,0,0|1,1,0]=4 10598 B14R1.820 Cc1ccc(c(c1)SCC(O)CO)Br 62a_100012353751_100011219619 [1,1,0,0,0,0|1,1,0]=4 10599 B14R1.820 Cc1ccc(c(c1)SCC(O)CO)C 62a_100000210833_100011219619 [1,1,0,0,0,0|0,1,0]=3 10600 B14R1.820 Cc1ccc(c(c1)SCC(O)CO)C 62a_100011219619_100000210833 [1,1,0,0,0,0|0,1,0]=3 10601 B14R1.820 Cc1ccc(c(c1)SCC(O)CO)Cl 62a_100011219619_100012356289 [1,1,0,0,0,0|1,1,0]=4 10602 B14R1.820 Cc1ccc(c(c1)SCC(O)CO)Cl 62a_100012356289_100011219619 [1,1,0,0,0,0|1,1,0]=4 10603 B14R1.820 Cc1ccc(c(c1)SCC(O)CO)F 62a_100000736223_100011219619 [1,1,0,0,0,0|1,1,0]=4 10604 B14R1.820 Cc1ccc(c(c1)SCC(O)CO)F 62a_100011219619_100000736223 [1,1,0,0,0,0|1,1,0]=4 10605 B14R1.820 Cc1ccc(c(c1)SCC(O)CO)N 62a_100011219619_100011356834 [1,1,0,0,0,0|1,1,0]=4 10606 B14R1.820 Cc1ccc(c(c1)SCC(O)CO)N 62a_100011356834_100011219619 [1,1,0,0,0,0|1,1,0]=4 10607 B14R1.820 Cc1ccc(c(c1)SCC(O)CO)O 62a_100000765521_100011219619 [1,1,0,0,0,0|0,1,0]=3 10608 B14R1.820 Cc1ccc(c(c1)SCC(O)CO)O 62a_100011219619_100000765521 [1,1,0,0,0,0|0,1,0]=3 10609 B14R1.820 Cc1ccc(c(c1)SC[C@@H](C)CO)C 62a_100000059175_100000210833 [1,1,0,0,0,0|1,1,0]=4 10610 B14R1.820 Cc1ccc(c(c1)SC[C@@H](C)CO)C 62a_100000210833_100000059175 [1,1,0,0,0,0|1,1,0]=4 10611 B14R1.820 Cc1ccc(c(c1)SC[C@@H](C)CO)O 62a_100000059175_100000765521 [1,1,0,0,0,0|1,1,0]=4 10612 B14R1.820 Cc1ccc(c(c1)SC[C@@H](C)CO)O 62a_100000765521_100000059175 [1,1,0,0,0,0|1,1,0]=4 10613 B14R1.820 Cc1ccc(c(c1)SC[C@@H](O)CF)C 62a_100000210833_100015614560 [1,1,0,0,0,0|1,1,0]=4 10614 B14R1.820 Cc1ccc(c(c1)SC[C@@H](O)CF)C 62a_100015614560_100000210833 [1,1,0,0,0,0|1,1,0]=4 10615 B14R1.820 Cc1ccc(c(c1)SC[C@@H](O)CF)O 62a_100000765521_100015614560 [1,1,0,0,0,0|1,1,0]=4 10616 B14R1.820 Cc1ccc(c(c1)SC[C@@H](O)CF)O 62a_100015614560_100000765521 [1,1,0,0,0,0|1,1,0]=4 10617 B14R1.820 Cc1ccc(c(c1)SC[C@@H](O)CO)Br 62a_100009815848_100012353751 [1,1,0,0,0,0|1,1,0]=4 10618 B14R1.820 Cc1ccc(c(c1)SC[C@@H](O)CO)Br 62a_100012353751_100009815848 [1,1,0,0,0,0|1,1,0]=4 10619 B14R1.820 Cc1ccc(c(c1)SC[C@@H](O)CO)C 62a_100000210833_100009815848 [1,1,0,0,0,0|0,1,0]=3 10620 B14R1.820 Cc1ccc(c(c1)SC[C@@H](O)CO)C 62a_100009815848_100000210833 [1,1,0,0,0,0|0,1,0]=3 10621 B14R1.820 Cc1ccc(c(c1)SC[C@@H](O)CO)Cl 62a_100009815848_100012356289 [1,1,0,0,0,0|1,1,0]=4 10622 B14R1.820 Cc1ccc(c(c1)SC[C@@H](O)CO)Cl 62a_100012356289_100009815848 [1,1,0,0,0,0|1,1,0]=4 10623 B14R1.820 Cc1ccc(c(c1)SC[C@@H](O)CO)F 62a_100000736223_100009815848 [1,1,0,0,0,0|1,1,0]=4 10624 B14R1.820 Cc1ccc(c(c1)SC[C@@H](O)CO)F 62a_100009815848_100000736223 [1,1,0,0,0,0|1,1,0]=4 10625 B14R1.820 Cc1ccc(c(c1)SC[C@@H](O)CO)N 62a_100009815848_100011356834 [1,1,0,0,0,0|1,1,0]=4 10626 B14R1.820 Cc1ccc(c(c1)SC[C@@H](O)CO)N 62a_100011356834_100009815848 [1,1,0,0,0,0|1,1,0]=4 10627 B14R1.820 Cc1ccc(c(c1)SC[C@@H](O)CO)O 62a_100000765521_100009815848 [1,1,0,0,0,0|0,1,0]=3 10628 B14R1.820 Cc1ccc(c(c1)SC[C@@H](O)CO)O 62a_100009815848_100000765521 [1,1,0,0,0,0|0,1,0]=3 10629 B14R1.820 Cc1ccc(c(n1)OCC(O)CO)Br 34a_100009817604_100011219619 [1,1,0,0,0,0|2,0,0]=4 10630 B14R1.820 Cc1ccc(c(n1)OCC(O)CO)N 34a_100000687486_100011219619 [1,1,0,0,0,0|2,0,0]=4 10631 B14R1.820 Cc1ccc(c(n1)OC[C@@H](O)CO)Br 34a_100009817604_100009815848 [1,1,0,0,0,0|2,0,0]=4 10632 B14R1.820 Cc1ccc(c(n1)OC[C@@H](O)CO)N 34a_100000687486_100009815848 [1,1,0,0,0,0|2,0,0]=4 10633 B14R1.820 Cc1ccc(c(n1)SCC(O)CO)C 62a_100009854376_100011219619 [1,1,0,0,0,0|1,1,0]=4 10634 B14R1.820 Cc1ccc(c(n1)SCC(O)CO)C 62a_100011219619_100009854376 [1,1,0,0,0,0|1,1,0]=4 10635 B14R1.820 Cc1ccc(c(n1)SCC(O)CO)O 62a_100000702858_100011219619 [1,1,0,0,0,0|1,1,0]=4 10636 B14R1.820 Cc1ccc(c(n1)SCC(O)CO)O 62a_100011219619_100000702858 [1,1,0,0,0,0|1,1,0]=4 10637 B14R1.820 Cc1ccc(c(n1)SC[C@@H](O)CO)C 62a_100009815848_100009854376 [1,1,0,0,0,0|1,1,0]=4 10638 B14R1.820 Cc1ccc(c(n1)SC[C@@H](O)CO)C 62a_100009854376_100009815848 [1,1,0,0,0,0|1,1,0]=4 10639 B14R1.820 Cc1ccc(c(n1)SC[C@@H](O)CO)O 62a_100000702858_100009815848 [1,1,0,0,0,0|1,1,0]=4 10640 B14R1.820 Cc1ccc(c(n1)SC[C@@H](O)CO)O 62a_100009815848_100000702858 [1,1,0,0,0,0|1,1,0]=4 10641 B14R1.820 Cc1ccc(cc1NCC(O)CO)Br 34a_100000741167_100011219619 [1,1,0,0,0,0|1,0,0]=3 10642 B14R1.820 Cc1ccc(cc1NCC(O)CO)Br 7a_100000741167_100011219619 [1,1,0,0,0,0|1,0,0]=3 10643 B14R1.820 Cc1ccc(cc1NCC(O)CO)Cl 34a_100000211374_100011219619 [1,1,0,0,0,0|1,0,0]=3 10644 B14R1.820 Cc1ccc(cc1NCC(O)CO)Cl 7a_100000211374_100011219619 [1,1,0,0,0,0|1,0,0]=3 10645 B14R1.820 Cc1ccc(cc1NCC(O)CO)F 34a_100000211107_100011219619 [1,1,0,0,0,0|1,0,0]=3 10646 B14R1.820 Cc1ccc(cc1NCC(O)CO)F 7a_100000211107_100011219619 [1,1,0,0,0,0|1,0,0]=3 10647 B14R1.820 Cc1ccc(cc1NCC(O)CO)I 7a_100000761890_100011219619 [1,1,0,0,0,0|1,0,0]=3 10648 B14R1.820 Cc1ccc(cc1NCC(O)CO)O 34a_100011216113_100011219619 [1,1,0,0,0,0|1,0,0]=3 10649 B14R1.820 Cc1ccc(cc1NC[C@@H](C)CO)Br 34a_100000741167_100000059175 [1,1,0,0,0,0|2,0,0]=4 10650 B14R1.820 Cc1ccc(cc1NC[C@@H](C)CO)Br 7a_100000741167_100000059175 [1,1,0,0,0,0|2,0,0]=4 10651 B14R1.820 Cc1ccc(cc1NC[C@@H](C)CO)Cl 34a_100000211374_100000059175 [1,1,0,0,0,0|2,0,0]=4 10652 B14R1.820 Cc1ccc(cc1NC[C@@H](C)CO)Cl 7a_100000211374_100000059175 [1,1,0,0,0,0|2,0,0]=4 10653 B14R1.820 Cc1ccc(cc1NC[C@@H](C)CO)F 34a_100000211107_100000059175 [1,1,0,0,0,0|2,0,0]=4 10654 B14R1.820 Cc1ccc(cc1NC[C@@H](C)CO)F 7a_100000211107_100000059175 [1,1,0,0,0,0|2,0,0]=4 10655 B14R1.820 Cc1ccc(cc1NC[C@@H](C)CO)I 7a_100000761890_100000059175 [1,1,0,0,0,0|2,0,0]=4 10656 B14R1.820 Cc1ccc(cc1NC[C@@H](C)CO)O 34a_100011216113_100000059175 [1,1,0,0,0,0|2,0,0]=4 10657 B14R1.820 Cc1ccc(cc1NC[C@@H](O)CF)Br 34a_100000741167_100015614560 [1,1,0,0,0,0|2,0,0]=4 10658 B14R1.820 Cc1ccc(cc1NC[C@@H](O)CF)Br 7a_100000741167_100015614560 [1,1,0,0,0,0|2,0,0]=4 10659 B14R1.820 Cc1ccc(cc1NC[C@@H](O)CF)Cl 34a_100000211374_100015614560 [1,1,0,0,0,0|2,0,0]=4 10660 B14R1.820 Cc1ccc(cc1NC[C@@H](O)CF)Cl 7a_100000211374_100015614560 [1,1,0,0,0,0|2,0,0]=4 10661 B14R1.820 Cc1ccc(cc1NC[C@@H](O)CF)F 34a_100000211107_100015614560 [1,1,0,0,0,0|2,0,0]=4 10662 B14R1.820 Cc1ccc(cc1NC[C@@H](O)CF)F 7a_100000211107_100015614560 [1,1,0,0,0,0|2,0,0]=4 10663 B14R1.820 Cc1ccc(cc1NC[C@@H](O)CF)I 7a_100000761890_100015614560 [1,1,0,0,0,0|2,0,0]=4 10664 B14R1.820 Cc1ccc(cc1NC[C@@H](O)CF)O 34a_100011216113_100015614560 [1,1,0,0,0,0|2,0,0]=4 10665 B14R1.820 Cc1ccc(cc1NC[C@@H](O)CO)Br 34a_100000741167_100009815848 [1,1,0,0,0,0|1,0,0]=3 10666 B14R1.820 Cc1ccc(cc1NC[C@@H](O)CO)Br 7a_100000741167_100009815848 [1,1,0,0,0,0|1,0,0]=3 10667 B14R1.820 Cc1ccc(cc1NC[C@@H](O)CO)Cl 34a_100000211374_100009815848 [1,1,0,0,0,0|1,0,0]=3 10668 B14R1.820 Cc1ccc(cc1NC[C@@H](O)CO)Cl 7a_100000211374_100009815848 [1,1,0,0,0,0|1,0,0]=3 10669 B14R1.820 Cc1ccc(cc1NC[C@@H](O)CO)F 34a_100000211107_100009815848 [1,1,0,0,0,0|1,0,0]=3 10670 B14R1.820 Cc1ccc(cc1NC[C@@H](O)CO)F 7a_100000211107_100009815848 [1,1,0,0,0,0|1,0,0]=3 10671 B14R1.820 Cc1ccc(cc1NC[C@@H](O)CO)I 7a_100000761890_100009815848 [1,1,0,0,0,0|1,0,0]=3 10672 B14R1.820 Cc1ccc(cc1NC[C@@H](O)CO)O 34a_100011216113_100009815848 [1,1,0,0,0,0|1,0,0]=3 10673 B14R1.820 Cc1ccc(cc1OCC(O)CO)Br 34a_100000685420_100011219619 [1,1,0,0,0,0|0,0,0]=2 10674 B14R1.820 Cc1ccc(cc1OCC(O)CO)Br 7a_100000685420_100011219619 [1,1,0,0,0,0|0,0,0]=2 10675 B14R1.820 Cc1ccc(cc1OCC(O)CO)Cl 34a_100000756515_100011219619 [1,1,0,0,0,0|0,0,0]=2 10676 B14R1.820 Cc1ccc(cc1OCC(O)CO)Cl 7a_100000756515_100011219619 [1,1,0,0,0,0|0,0,0]=2 10677 B14R1.820 Cc1ccc(cc1OCC(O)CO)F 34a_100000690566_100011219619 [1,1,0,0,0,0|0,0,0]=2 10678 B14R1.820 Cc1ccc(cc1OCC(O)CO)F 7a_100000690566_100011219619 [1,1,0,0,0,0|0,0,0]=2 10679 B14R1.820 Cc1ccc(cc1OCC(O)CO)I 7a_100000766334_100011219619 [1,1,0,0,0,0|0,0,0]=2 10680 B14R1.820 Cc1ccc(cc1OCC(O)CO)N 34a_100000759471_100011219619 [1,1,0,0,0,0|0,0,0]=2 10681 B14R1.820 Cc1ccc(cc1OCC(O)CO)N 7a_100000759471_100011219619 [1,1,0,0,0,0|0,0,0]=2 10682 B14R1.820 Cc1ccc(cc1OC[C@@H](C)CO)Br 34a_100000685420_100000059175 [1,1,0,0,0,0|1,0,0]=3 10683 B14R1.820 Cc1ccc(cc1OC[C@@H](C)CO)Br 7a_100000685420_100000059175 [1,1,0,0,0,0|1,0,0]=3 10684 B14R1.820 Cc1ccc(cc1OC[C@@H](C)CO)Cl 34a_100000756515_100000059175 [1,1,0,0,0,0|1,0,0]=3 10685 B14R1.820 Cc1ccc(cc1OC[C@@H](C)CO)Cl 7a_100000756515_100000059175 [1,1,0,0,0,0|1,0,0]=3 10686 B14R1.820 Cc1ccc(cc1OC[C@@H](C)CO)F 34a_100000690566_100000059175 [1,1,0,0,0,0|1,0,0]=3 10687 B14R1.820 Cc1ccc(cc1OC[C@@H](C)CO)F 7a_100000690566_100000059175 [1,1,0,0,0,0|1,0,0]=3 10688 B14R1.820 Cc1ccc(cc1OC[C@@H](C)CO)I 7a_100000766334_100000059175 [1,1,0,0,0,0|1,0,0]=3 10689 B14R1.820 Cc1ccc(cc1OC[C@@H](C)CO)N 34a_100000759471_100000059175 [1,1,0,0,0,0|1,0,0]=3 10690 B14R1.820 Cc1ccc(cc1OC[C@@H](C)CO)N 7a_100000759471_100000059175 [1,1,0,0,0,0|1,0,0]=3 10691 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CF)Br 34a_100000685420_100015614560 [1,1,0,0,0,0|1,0,0]=3 10692 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CF)Br 7a_100000685420_100015614560 [1,1,0,0,0,0|1,0,0]=3 10693 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CF)Cl 34a_100000756515_100015614560 [1,1,0,0,0,0|1,0,0]=3 10694 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CF)Cl 7a_100000756515_100015614560 [1,1,0,0,0,0|1,0,0]=3 10695 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CF)F 34a_100000690566_100015614560 [1,1,0,0,0,0|1,0,0]=3 10696 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CF)F 7a_100000690566_100015614560 [1,1,0,0,0,0|1,0,0]=3 10697 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CF)I 7a_100000766334_100015614560 [1,1,0,0,0,0|1,0,0]=3 10698 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CF)N 34a_100000759471_100015614560 [1,1,0,0,0,0|1,0,0]=3 10699 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CF)N 7a_100000759471_100015614560 [1,1,0,0,0,0|1,0,0]=3 10700 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CO)Br 34a_100000685420_100009815848 [1,1,0,0,0,0|0,0,0]=2 10701 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CO)Br 7a_100000685420_100009815848 [1,1,0,0,0,0|0,0,0]=2 10702 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CO)Cl 34a_100000756515_100009815848 [1,1,0,0,0,0|0,0,0]=2 10703 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CO)Cl 7a_100000756515_100009815848 [1,1,0,0,0,0|0,0,0]=2 10704 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CO)F 34a_100000690566_100009815848 [1,1,0,0,0,0|0,0,0]=2 10705 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CO)F 7a_100000690566_100009815848 [1,1,0,0,0,0|0,0,0]=2 10706 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CO)I 7a_100000766334_100009815848 [1,1,0,0,0,0|0,0,0]=2 10707 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CO)N 34a_100000759471_100009815848 [1,1,0,0,0,0|0,0,0]=2 10708 B14R1.820 Cc1ccc(cc1OC[C@@H](O)CO)N 7a_100000759471_100009815848 [1,1,0,0,0,0|0,0,0]=2 10709 B14R1.820 Cc1ccc(cc1SCC(O)CO)Br 62a_100011219619_100011344865 [1,1,0,0,0,0|0,1,0]=3 10710 B14R1.820 Cc1ccc(cc1SCC(O)CO)Br 62a_100011344865_100011219619 [1,1,0,0,0,0|0,1,0]=3 10711 B14R1.820 Cc1ccc(cc1SCC(O)CO)Cl 62a_100011219619_100011263213 [1,1,0,0,0,0|0,1,0]=3 10712 B14R1.820 Cc1ccc(cc1SCC(O)CO)Cl 62a_100011263213_100011219619 [1,1,0,0,0,0|0,1,0]=3 10713 B14R1.820 Cc1ccc(cc1SCC(O)CO)F 62a_100011218078_100011219619 [1,1,0,0,0,0|0,1,0]=3 10714 B14R1.820 Cc1ccc(cc1SCC(O)CO)F 62a_100011219619_100011218078 [1,1,0,0,0,0|0,1,0]=3 10715 B14R1.820 Cc1ccc(cc1SCC(O)CO)N 62a_100000736455_100011219619 [1,1,0,0,0,0|0,1,0]=3 10716 B14R1.820 Cc1ccc(cc1SCC(O)CO)N 62a_100011219619_100000736455 [1,1,0,0,0,0|0,1,0]=3 10717 B14R1.820 Cc1ccc(cc1SCC(O)CO)O 62a_100011219619_100011380479 [1,1,0,0,0,0|0,1,0]=3 10718 B14R1.820 Cc1ccc(cc1SCC(O)CO)O 62a_100011380479_100011219619 [1,1,0,0,0,0|0,1,0]=3 10719 B14R1.820 Cc1ccc(cc1SC[C@@H](C)CO)Br 62a_100000059175_100011344865 [1,1,0,0,0,0|1,1,0]=4 10720 B14R1.820 Cc1ccc(cc1SC[C@@H](C)CO)Br 62a_100011344865_100000059175 [1,1,0,0,0,0|1,1,0]=4 10721 B14R1.820 Cc1ccc(cc1SC[C@@H](C)CO)Cl 62a_100000059175_100011263213 [1,1,0,0,0,0|1,1,0]=4 10722 B14R1.820 Cc1ccc(cc1SC[C@@H](C)CO)Cl 62a_100011263213_100000059175 [1,1,0,0,0,0|1,1,0]=4 10723 B14R1.820 Cc1ccc(cc1SC[C@@H](C)CO)F 62a_100000059175_100011218078 [1,1,0,0,0,0|1,1,0]=4 10724 B14R1.820 Cc1ccc(cc1SC[C@@H](C)CO)F 62a_100011218078_100000059175 [1,1,0,0,0,0|1,1,0]=4 10725 B14R1.820 Cc1ccc(cc1SC[C@@H](C)CO)N 62a_100000059175_100000736455 [1,1,0,0,0,0|1,1,0]=4 10726 B14R1.820 Cc1ccc(cc1SC[C@@H](C)CO)N 62a_100000736455_100000059175 [1,1,0,0,0,0|1,1,0]=4 10727 B14R1.820 Cc1ccc(cc1SC[C@@H](C)CO)O 62a_100000059175_100011380479 [1,1,0,0,0,0|1,1,0]=4 10728 B14R1.820 Cc1ccc(cc1SC[C@@H](C)CO)O 62a_100011380479_100000059175 [1,1,0,0,0,0|1,1,0]=4 10729 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CF)Br 62a_100011344865_100015614560 [1,1,0,0,0,0|1,1,0]=4 10730 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CF)Br 62a_100015614560_100011344865 [1,1,0,0,0,0|1,1,0]=4 10731 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CF)Cl 62a_100011263213_100015614560 [1,1,0,0,0,0|1,1,0]=4 10732 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CF)Cl 62a_100015614560_100011263213 [1,1,0,0,0,0|1,1,0]=4 10733 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CF)F 62a_100011218078_100015614560 [1,1,0,0,0,0|1,1,0]=4 10734 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CF)F 62a_100015614560_100011218078 [1,1,0,0,0,0|1,1,0]=4 10735 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CF)N 62a_100000736455_100015614560 [1,1,0,0,0,0|1,1,0]=4 10736 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CF)N 62a_100015614560_100000736455 [1,1,0,0,0,0|1,1,0]=4 10737 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CF)O 62a_100011380479_100015614560 [1,1,0,0,0,0|1,1,0]=4 10738 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CF)O 62a_100015614560_100011380479 [1,1,0,0,0,0|1,1,0]=4 10739 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CO)Br 62a_100009815848_100011344865 [1,1,0,0,0,0|0,1,0]=3 10740 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CO)Br 62a_100011344865_100009815848 [1,1,0,0,0,0|0,1,0]=3 10741 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CO)Cl 62a_100009815848_100011263213 [1,1,0,0,0,0|0,1,0]=3 10742 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CO)Cl 62a_100011263213_100009815848 [1,1,0,0,0,0|0,1,0]=3 10743 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CO)F 62a_100009815848_100011218078 [1,1,0,0,0,0|0,1,0]=3 10744 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CO)F 62a_100011218078_100009815848 [1,1,0,0,0,0|0,1,0]=3 10745 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CO)N 62a_100000736455_100009815848 [1,1,0,0,0,0|0,1,0]=3 10746 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CO)N 62a_100009815848_100000736455 [1,1,0,0,0,0|0,1,0]=3 10747 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CO)O 62a_100009815848_100011380479 [1,1,0,0,0,0|0,1,0]=3 10748 B14R1.820 Cc1ccc(cc1SC[C@@H](O)CO)O 62a_100011380479_100009815848 [1,1,0,0,0,0|0,1,0]=3 10749 B14R1.820 Cc1ccc(nc1SCC(O)CO)N 62a_100000126722_100011219619 [1,1,0,0,0,0|1,1,0]=4 10750 B14R1.820 Cc1ccc(nc1SCC(O)CO)N 62a_100011219619_100000126722 [1,1,0,0,0,0|1,1,0]=4 10751 B14R1.820 Cc1ccc(nc1SC[C@@H](O)CO)N 62a_100000126722_100009815848 [1,1,0,0,0,0|1,1,0]=4 10752 B14R1.820 Cc1ccc(nc1SC[C@@H](O)CO)N 62a_100009815848_100000126722 [1,1,0,0,0,0|1,1,0]=4 10753 B14R1.820 Cc1cnc(c(c1)OCC(O)CO)Cl 34a_100012000487_100011219619 [1,1,0,0,0,0|2,0,0]=4 10754 B14R1.820 Cc1cnc(c(c1)OCC(O)CO)Cl 7a_100012000487_100011219619 [1,1,0,0,0,0|2,0,0]=4 10755 B14R1.820 Cc1cnc(c(c1)OCC(O)CO)F 34a_100009849810_100011219619 [1,1,0,0,0,0|2,0,0]=4 10756 B14R1.820 Cc1cnc(c(c1)OCC(O)CO)F 7a_100009849810_100011219619 [1,1,0,0,0,0|2,0,0]=4 10757 B14R1.820 Cc1cnc(c(c1)OC[C@@H](O)CO)Cl 34a_100012000487_100009815848 [1,1,0,0,0,0|2,0,0]=4 10758 B14R1.820 Cc1cnc(c(c1)OC[C@@H](O)CO)Cl 7a_100012000487_100009815848 [1,1,0,0,0,0|2,0,0]=4 10759 B14R1.820 Cc1cnc(c(c1)OC[C@@H](O)CO)F 34a_100009849810_100009815848 [1,1,0,0,0,0|2,0,0]=4 10760 B14R1.820 Cc1cnc(c(c1)OC[C@@H](O)CO)F 7a_100009849810_100009815848 [1,1,0,0,0,0|2,0,0]=4 10761 B14R1.820 Cc1cnc(c(c1)SCC(O)CO)C 62a_100009817436_100011219619 [1,1,0,0,0,0|1,1,0]=4 10762 B14R1.820 Cc1cnc(c(c1)SCC(O)CO)C 62a_100011219619_100009817436 [1,1,0,0,0,0|1,1,0]=4 10763 B14R1.820 Cc1cnc(c(c1)SCC(O)CO)O 62a_100000719714_100011219619 [1,1,0,0,0,0|1,1,0]=4 10764 B14R1.820 Cc1cnc(c(c1)SCC(O)CO)O 62a_100011219619_100000719714 [1,1,0,0,0,0|1,1,0]=4 10765 B14R1.820 Cc1cnc(c(c1)SC[C@@H](O)CO)C 62a_100009815848_100009817436 [1,1,0,0,0,0|1,1,0]=4 10766 B14R1.820 Cc1cnc(c(c1)SC[C@@H](O)CO)C 62a_100009817436_100009815848 [1,1,0,0,0,0|1,1,0]=4 10767 B14R1.820 Cc1cnc(c(c1)SC[C@@H](O)CO)O 62a_100000719714_100009815848 [1,1,0,0,0,0|1,1,0]=4 10768 B14R1.820 Cc1cnc(c(c1)SC[C@@H](O)CO)O 62a_100009815848_100000719714 [1,1,0,0,0,0|1,1,0]=4 10769 B14R1.820 Cc1cnc(cc1NC[C@H](O)CO)F 27a_100020644852_100000049870 [1,1,0,0,0,0|2,0,0]=4 10770 B14R1.820 Cc1cnc(cc1OCC(O)CO)Br 34a_100000704368_100011219619 [1,1,0,0,0,0|1,0,0]=3 10771 B14R1.820 Cc1cnc(cc1OCC(O)CO)Br 7a_100000704368_100011219619 [1,1,0,0,0,0|1,0,0]=3 10772 B14R1.820 Cc1cnc(cc1OC[C@@H](C)CO)Br 34a_100000704368_100000059175 [1,1,0,0,0,0|2,0,0]=4 10773 B14R1.820 Cc1cnc(cc1OC[C@@H](C)CO)Br 7a_100000704368_100000059175 [1,1,0,0,0,0|2,0,0]=4 10774 B14R1.820 Cc1cnc(cc1OC[C@@H](O)CF)Br 34a_100000704368_100015614560 [1,1,0,0,0,0|2,0,0]=4 10775 B14R1.820 Cc1cnc(cc1OC[C@@H](O)CF)Br 7a_100000704368_100015614560 [1,1,0,0,0,0|2,0,0]=4 10776 B14R1.820 Cc1cnc(cc1OC[C@@H](O)CO)Br 34a_100000704368_100009815848 [1,1,0,0,0,0|1,0,0]=3 10777 B14R1.820 Cc1cnc(cc1OC[C@@H](O)CO)Br 7a_100000704368_100009815848 [1,1,0,0,0,0|1,0,0]=3 10778 B14R1.820 Cc1cnc(cc1SCC(O)CO)Br 62a_100010067628_100011219619 [1,1,0,0,0,0|1,1,0]=4 10779 B14R1.820 Cc1cnc(cc1SCC(O)CO)Br 62a_100011219619_100010067628 [1,1,0,0,0,0|1,1,0]=4 10780 B14R1.820 Cc1cnc(cc1SCC(O)CO)Cl 62a_100010068021_100011219619 [1,1,0,0,0,0|1,1,0]=4 10781 B14R1.820 Cc1cnc(cc1SCC(O)CO)Cl 62a_100011219619_100010068021 [1,1,0,0,0,0|1,1,0]=4 10782 B14R1.820 Cc1cnc(cc1SCC(O)CO)F 62a_100000049870_100011219619 [1,1,0,0,0,0|1,1,0]=4 10783 B14R1.820 Cc1cnc(cc1SCC(O)CO)F 62a_100011219619_100000049870 [1,1,0,0,0,0|1,1,0]=4 10784 B14R1.820 Cc1cnc(cc1SCC(O)CO)N 62a_100009819938_100011219619 [1,1,0,0,0,0|1,1,0]=4 10785 B14R1.820 Cc1cnc(cc1SCC(O)CO)N 62a_100011219619_100009819938 [1,1,0,0,0,0|1,1,0]=4 10786 B14R1.820 Cc1cnc(cc1SCC(O)CO)O 62a_100009831917_100011219619 [1,1,0,0,0,0|1,1,0]=4 10787 B14R1.820 Cc1cnc(cc1SCC(O)CO)O 62a_100011219619_100009831917 [1,1,0,0,0,0|1,1,0]=4 10788 B14R1.820 Cc1cnc(cc1SC[C@@H](O)CO)Br 62a_100009815848_100010067628 [1,1,0,0,0,0|1,1,0]=4 10789 B14R1.820 Cc1cnc(cc1SC[C@@H](O)CO)Br 62a_100010067628_100009815848 [1,1,0,0,0,0|1,1,0]=4 10790 B14R1.820 Cc1cnc(cc1SC[C@@H](O)CO)Cl 62a_100009815848_100010068021 [1,1,0,0,0,0|1,1,0]=4 10791 B14R1.820 Cc1cnc(cc1SC[C@@H](O)CO)Cl 62a_100010068021_100009815848 [1,1,0,0,0,0|1,1,0]=4 10792 B14R1.820 Cc1cnc(cc1SC[C@@H](O)CO)F 62a_100000049870_100009815848 [1,1,0,0,0,0|1,1,0]=4 10793 B14R1.820 Cc1cnc(cc1SC[C@@H](O)CO)F 62a_100009815848_100000049870 [1,1,0,0,0,0|1,1,0]=4 10794 B14R1.820 Cc1cnc(cc1SC[C@@H](O)CO)N 62a_100009815848_100009819938 [1,1,0,0,0,0|1,1,0]=4 10795 B14R1.820 Cc1cnc(cc1SC[C@@H](O)CO)N 62a_100009819938_100009815848 [1,1,0,0,0,0|1,1,0]=4 10796 B14R1.820 Cc1cnc(cc1SC[C@@H](O)CO)O 62a_100009815848_100009831917 [1,1,0,0,0,0|1,1,0]=4 10797 B14R1.820 Cc1cnc(cc1SC[C@@H](O)CO)O 62a_100009831917_100009815848 [1,1,0,0,0,0|1,1,0]=4 10798 B14R1.820 Cc1ncc(cc1OCC(O)CO)Br 34a_100009864810_100011219619 [1,1,0,0,0,0|1,0,0]=3 10799 B14R1.820 Cc1ncc(cc1OCC(O)CO)Br 7a_100009864810_100011219619 [1,1,0,0,0,0|1,0,0]=3 10800 B14R1.820 Cc1ncc(cc1OC[C@@H](C)CO)Br 34a_100009864810_100000059175 [1,1,0,0,0,0|2,0,0]=4 10801 B14R1.820 Cc1ncc(cc1OC[C@@H](C)CO)Br 7a_100009864810_100000059175 [1,1,0,0,0,0|2,0,0]=4 10802 B14R1.820 Cc1ncc(cc1OC[C@@H](O)CF)Br 34a_100009864810_100015614560 [1,1,0,0,0,0|2,0,0]=4 10803 B14R1.820 Cc1ncc(cc1OC[C@@H](O)CF)Br 7a_100009864810_100015614560 [1,1,0,0,0,0|2,0,0]=4 10804 B14R1.820 Cc1ncc(cc1OC[C@@H](O)CO)Br 34a_100009864810_100009815848 [1,1,0,0,0,0|1,0,0]=3 10805 B14R1.820 Cc1ncc(cc1OC[C@@H](O)CO)Br 7a_100009864810_100009815848 [1,1,0,0,0,0|1,0,0]=3 10806 B14R1.820 Cc1ncc(cc1SCC(O)CO)Br 62a_100011219619_200010090566 [1,1,0,0,0,0|1,1,0]=4 10807 B14R1.820 Cc1ncc(cc1SCC(O)CO)Br 62a_200010090566_100011219619 [1,1,0,0,0,0|1,1,0]=4 10808 B14R1.820 Cc1ncc(cc1SCC(O)CO)F 62a_100009860710_100011219619 [1,1,0,0,0,0|1,1,0]=4 10809 B14R1.820 Cc1ncc(cc1SCC(O)CO)F 62a_100011219619_100009860710 [1,1,0,0,0,0|1,1,0]=4 10810 B14R1.820 Cc1ncc(cc1SCC(O)CO)N 62a_100011219619_100011998591 [1,1,0,0,0,0|1,1,0]=4 10811 B14R1.820 Cc1ncc(cc1SCC(O)CO)N 62a_100011998591_100011219619 [1,1,0,0,0,0|1,1,0]=4 10812 B14R1.820 Cc1ncc(cc1SCC(O)CO)O 62a_100009819603_100011219619 [1,1,0,0,0,0|1,1,0]=4 10813 B14R1.820 Cc1ncc(cc1SCC(O)CO)O 62a_100011219619_100009819603 [1,1,0,0,0,0|1,1,0]=4 10814 B14R1.820 Cc1ncc(cc1SC[C@@H](O)CO)Br 62a_100009815848_200010090566 [1,1,0,0,0,0|1,1,0]=4 10815 B14R1.820 Cc1ncc(cc1SC[C@@H](O)CO)Br 62a_200010090566_100009815848 [1,1,0,0,0,0|1,1,0]=4 10816 B14R1.820 Cc1ncc(cc1SC[C@@H](O)CO)F 62a_100009815848_100009860710 [1,1,0,0,0,0|1,1,0]=4 10817 B14R1.820 Cc1ncc(cc1SC[C@@H](O)CO)F 62a_100009860710_100009815848 [1,1,0,0,0,0|1,1,0]=4 10818 B14R1.820 Cc1ncc(cc1SC[C@@H](O)CO)N 62a_100009815848_100011998591 [1,1,0,0,0,0|1,1,0]=4 10819 B14R1.820 Cc1ncc(cc1SC[C@@H](O)CO)N 62a_100011998591_100009815848 [1,1,0,0,0,0|1,1,0]=4 10820 B14R1.820 Cc1ncc(cc1SC[C@@H](O)CO)O 62a_100009815848_100009819603 [1,1,0,0,0,0|1,1,0]=4 10821 B14R1.820 Cc1ncc(cc1SC[C@@H](O)CO)O 62a_100009819603_100009815848 [1,1,0,0,0,0|1,1,0]=4 10822 B14R1.820 Nc1ccc(c(c1)OCC(O)CO)Cl 34a_100011934209_100011219619 [1,1,0,0,0,0|1,0,0]=3 10823 B14R1.820 Nc1ccc(c(c1)OCC(O)CO)F 34a_100012017398_100011219619 [1,1,0,0,0,0|1,0,0]=3 10824 B14R1.820 Nc1ccc(c(c1)OCC(O)CO)F 7a_100012017398_100011219619 [1,1,0,0,0,0|1,0,0]=3 10825 B14R1.820 Nc1ccc(c(c1)OCC(O)CO)N 34a_100025717382_100011219619 [1,1,0,0,0,0|1,0,0]=3 10826 B14R1.820 Nc1ccc(c(c1)OC[C@@H](O)CF)Cl 34a_100011934209_100015614560 [1,1,0,0,0,0|2,0,0]=4 10827 B14R1.820 Nc1ccc(c(c1)OC[C@@H](O)CF)F 34a_100012017398_100015614560 [1,1,0,0,0,0|2,0,0]=4 10828 B14R1.820 Nc1ccc(c(c1)OC[C@@H](O)CF)F 7a_100012017398_100015614560 [1,1,0,0,0,0|2,0,0]=4 10829 B14R1.820 Nc1ccc(c(c1)OC[C@@H](O)CF)N 34a_100025717382_100015614560 [1,1,0,0,0,0|2,0,0]=4 10830 B14R1.820 Nc1ccc(c(c1)OC[C@@H](O)CO)Cl 34a_100011934209_100009815848 [1,1,0,0,0,0|1,0,0]=3 10831 B14R1.820 Nc1ccc(c(c1)OC[C@@H](O)CO)F 34a_100012017398_100009815848 [1,1,0,0,0,0|1,0,0]=3 10832 B14R1.820 Nc1ccc(c(c1)OC[C@@H](O)CO)F 7a_100012017398_100009815848 [1,1,0,0,0,0|1,0,0]=3 10833 B14R1.820 Nc1ccc(c(c1)OC[C@@H](O)CO)N 34a_100025717382_100009815848 [1,1,0,0,0,0|1,0,0]=3 10834 B14R1.820 Nc1ccc(c(c1)SCC(O)CO)Br 62a_100000750459_100011219619 [1,1,0,0,0,0|1,1,0]=4 10835 B14R1.820 Nc1ccc(c(c1)SCC(O)CO)Br 62a_100011219619_100000750459 [1,1,0,0,0,0|1,1,0]=4 10836 B14R1.820 Nc1ccc(c(c1)SCC(O)CO)Cl 62a_100011219619_100012360549 [1,1,0,0,0,0|1,1,0]=4 10837 B14R1.820 Nc1ccc(c(c1)SCC(O)CO)Cl 62a_100012360549_100011219619 [1,1,0,0,0,0|1,1,0]=4 10838 B14R1.820 Nc1ccc(c(c1)SCC(O)CO)F 62a_100000760356_100011219619 [1,1,0,0,0,0|1,1,0]=4 10839 B14R1.820 Nc1ccc(c(c1)SCC(O)CO)F 62a_100011219619_100000760356 [1,1,0,0,0,0|1,1,0]=4 10840 B14R1.820 Nc1ccc(c(c1)SCC(O)CO)N 62a_100011219619_100011534242 [1,1,0,0,0,0|1,1,0]=4 10841 B14R1.820 Nc1ccc(c(c1)SCC(O)CO)N 62a_100011534242_100011219619 [1,1,0,0,0,0|1,1,0]=4 10842 B14R1.820 Nc1ccc(c(c1)SCC(O)CO)O 62a_100011219619_100011534360 [1,1,0,0,0,0|0,1,0]=3 10843 B14R1.820 Nc1ccc(c(c1)SCC(O)CO)O 62a_100011534360_100011219619 [1,1,0,0,0,0|0,1,0]=3 10844 B14R1.820 Nc1ccc(c(c1)SC[C@@H](O)CF)O 62a_100011534360_100015614560 [1,1,0,0,0,0|1,1,0]=4 10845 B14R1.820 Nc1ccc(c(c1)SC[C@@H](O)CF)O 62a_100015614560_100011534360 [1,1,0,0,0,0|1,1,0]=4 10846 B14R1.820 Nc1ccc(c(c1)SC[C@@H](O)CO)Br 62a_100000750459_100009815848 [1,1,0,0,0,0|1,1,0]=4 10847 B14R1.820 Nc1ccc(c(c1)SC[C@@H](O)CO)Br 62a_100009815848_100000750459 [1,1,0,0,0,0|1,1,0]=4 10848 B14R1.820 Nc1ccc(c(c1)SC[C@@H](O)CO)Cl 62a_100009815848_100012360549 [1,1,0,0,0,0|1,1,0]=4 10849 B14R1.820 Nc1ccc(c(c1)SC[C@@H](O)CO)Cl 62a_100012360549_100009815848 [1,1,0,0,0,0|1,1,0]=4 10850 B14R1.820 Nc1ccc(c(c1)SC[C@@H](O)CO)F 62a_100000760356_100009815848 [1,1,0,0,0,0|1,1,0]=4 10851 B14R1.820 Nc1ccc(c(c1)SC[C@@H](O)CO)F 62a_100009815848_100000760356 [1,1,0,0,0,0|1,1,0]=4 10852 B14R1.820 Nc1ccc(c(c1)SC[C@@H](O)CO)N 62a_100009815848_100011534242 [1,1,0,0,0,0|1,1,0]=4 10853 B14R1.820 Nc1ccc(c(c1)SC[C@@H](O)CO)N 62a_100011534242_100009815848 [1,1,0,0,0,0|1,1,0]=4 10854 B14R1.820 Nc1ccc(c(c1)SC[C@@H](O)CO)O 62a_100009815848_100011534360 [1,1,0,0,0,0|0,1,0]=3 10855 B14R1.820 Nc1ccc(c(c1)SC[C@@H](O)CO)O 62a_100011534360_100009815848 [1,1,0,0,0,0|0,1,0]=3 10856 B14R1.820 Nc1ccc(cc1OCC(O)CO)Br 34a_100000739049_100011219619 [1,1,0,0,0,0|1,0,0]=3 10857 B14R1.820 Nc1ccc(cc1OCC(O)CO)Br 7a_100000739049_100011219619 [1,1,0,0,0,0|1,0,0]=3 10858 B14R1.820 Nc1ccc(cc1OCC(O)CO)Cl 34a_100000185728_100011219619 [1,1,0,0,0,0|1,0,0]=3 10859 B14R1.820 Nc1ccc(cc1OCC(O)CO)Cl 7a_100000185728_100011219619 [1,1,0,0,0,0|1,0,0]=3 10860 B14R1.820 Nc1ccc(cc1OCC(O)CO)F 34a_100000753323_100011219619 [1,1,0,0,0,0|1,0,0]=3 10861 B14R1.820 Nc1ccc(cc1OCC(O)CO)F 7a_100000753323_100011219619 [1,1,0,0,0,0|1,0,0]=3 10862 B14R1.820 Nc1ccc(cc1OCC(O)CO)I 34a_100000057187_100011219619 [1,1,0,0,0,0|1,0,0]=3 10863 B14R1.820 Nc1ccc(cc1OCC(O)CO)I 7a_100000057187_100011219619 [1,1,0,0,0,0|1,0,0]=3 10864 B14R1.820 Nc1ccc(cc1OC[C@@H](O)CF)Br 34a_100000739049_100015614560 [1,1,0,0,0,0|2,0,0]=4 10865 B14R1.820 Nc1ccc(cc1OC[C@@H](O)CF)Br 7a_100000739049_100015614560 [1,1,0,0,0,0|2,0,0]=4 10866 B14R1.820 Nc1ccc(cc1OC[C@@H](O)CF)Cl 34a_100000185728_100015614560 [1,1,0,0,0,0|2,0,0]=4 10867 B14R1.820 Nc1ccc(cc1OC[C@@H](O)CF)Cl 7a_100000185728_100015614560 [1,1,0,0,0,0|2,0,0]=4 10868 B14R1.820 Nc1ccc(cc1OC[C@@H](O)CF)F 34a_100000753323_100015614560 [1,1,0,0,0,0|2,0,0]=4 10869 B14R1.820 Nc1ccc(cc1OC[C@@H](O)CF)F 7a_100000753323_100015614560 [1,1,0,0,0,0|2,0,0]=4 10870 B14R1.820 Nc1ccc(cc1OC[C@@H](O)CF)I 34a_100000057187_100015614560 [1,1,0,0,0,0|2,0,0]=4 10871 B14R1.820 Nc1ccc(cc1OC[C@@H](O)CF)I 7a_100000057187_100015614560 [1,1,0,0,0,0|2,0,0]=4 10872 B14R1.820 Nc1ccc(cc1OC[C@@H](O)CO)Br 34a_100000739049_100009815848 [1,1,0,0,0,0|1,0,0]=3 10873 B14R1.820 Nc1ccc(cc1OC[C@@H](O)CO)Br 7a_100000739049_100009815848 [1,1,0,0,0,0|1,0,0]=3 10874 B14R1.820 Nc1ccc(cc1OC[C@@H](O)CO)Cl 34a_100000185728_100009815848 [1,1,0,0,0,0|1,0,0]=3 10875 B14R1.820 Nc1ccc(cc1OC[C@@H](O)CO)Cl 7a_100000185728_100009815848 [1,1,0,0,0,0|1,0,0]=3 10876 B14R1.820 Nc1ccc(cc1OC[C@@H](O)CO)F 34a_100000753323_100009815848 [1,1,0,0,0,0|1,0,0]=3 10877 B14R1.820 Nc1ccc(cc1OC[C@@H](O)CO)F 7a_100000753323_100009815848 [1,1,0,0,0,0|1,0,0]=3 10878 B14R1.820 Nc1ccc(cc1OC[C@@H](O)CO)I 34a_100000057187_100009815848 [1,1,0,0,0,0|1,0,0]=3 10879 B14R1.820 Nc1ccc(cc1OC[C@@H](O)CO)I 7a_100000057187_100009815848 [1,1,0,0,0,0|1,0,0]=3 10880 B14R1.820 Nc1ccc(cc1SCC(O)CO)Br 62a_100000187925_100011219619 [1,1,0,0,0,0|1,1,0]=4 10881 B14R1.820 Nc1ccc(cc1SCC(O)CO)Br 62a_100011219619_100000187925 [1,1,0,0,0,0|1,1,0]=4 10882 B14R1.820 Nc1ccc(cc1SCC(O)CO)Cl 62a_100000761889_100011219619 [1,1,0,0,0,0|1,1,0]=4 10883 B14R1.820 Nc1ccc(cc1SCC(O)CO)Cl 62a_100011219619_100000761889 [1,1,0,0,0,0|1,1,0]=4 10884 B14R1.820 Nc1ccc(cc1SCC(O)CO)F 62a_100000760547_100011219619 [1,1,0,0,0,0|1,1,0]=4 10885 B14R1.820 Nc1ccc(cc1SCC(O)CO)F 62a_100011219619_100000760547 [1,1,0,0,0,0|1,1,0]=4 10886 B14R1.820 Nc1ccc(cc1SCC(O)CO)O 62a_100011219619_100012001276 [1,1,0,0,0,0|1,1,0]=4 10887 B14R1.820 Nc1ccc(cc1SCC(O)CO)O 62a_100012001276_100011219619 [1,1,0,0,0,0|1,1,0]=4 10888 B14R1.820 Nc1ccc(cc1SC[C@@H](O)CO)Br 62a_100000187925_100009815848 [1,1,0,0,0,0|1,1,0]=4 10889 B14R1.820 Nc1ccc(cc1SC[C@@H](O)CO)Br 62a_100009815848_100000187925 [1,1,0,0,0,0|1,1,0]=4 10890 B14R1.820 Nc1ccc(cc1SC[C@@H](O)CO)Cl 62a_100000761889_100009815848 [1,1,0,0,0,0|1,1,0]=4 10891 B14R1.820 Nc1ccc(cc1SC[C@@H](O)CO)Cl 62a_100009815848_100000761889 [1,1,0,0,0,0|1,1,0]=4 10892 B14R1.820 Nc1ccc(cc1SC[C@@H](O)CO)F 62a_100000760547_100009815848 [1,1,0,0,0,0|1,1,0]=4 10893 B14R1.820 Nc1ccc(cc1SC[C@@H](O)CO)F 62a_100009815848_100000760547 [1,1,0,0,0,0|1,1,0]=4 10894 B14R1.820 Nc1ccc(cc1SC[C@@H](O)CO)O 62a_100009815848_100012001276 [1,1,0,0,0,0|1,1,0]=4 10895 B14R1.820 Nc1ccc(cc1SC[C@@H](O)CO)O 62a_100012001276_100009815848 [1,1,0,0,0,0|1,1,0]=4 10896 B14R1.820 Nc1ncc(cc1OCC(O)CO)Br 34a_100009819042_100011219619 [1,1,0,0,0,0|2,0,0]=4 10897 B14R1.820 Nc1ncc(cc1OCC(O)CO)Br 7a_100009819042_100011219619 [1,1,0,0,0,0|2,0,0]=4 10898 B14R1.820 Nc1ncc(cc1OCC(O)CO)Cl 34a_100000123674_100011219619 [1,1,0,0,0,0|2,0,0]=4 10899 B14R1.820 Nc1ncc(cc1OCC(O)CO)Cl 7a_100000123674_100011219619 [1,1,0,0,0,0|2,0,0]=4 10900 B14R1.820 Nc1ncc(cc1OCC(O)CO)F 34a_100000094369_100011219619 [1,1,0,0,0,0|2,0,0]=4 10901 B14R1.820 Nc1ncc(cc1OCC(O)CO)F 7a_100000094369_100011219619 [1,1,0,0,0,0|2,0,0]=4 10902 B14R1.820 Nc1ncc(cc1OC[C@@H](O)CO)Br 34a_100009819042_100009815848 [1,1,0,0,0,0|2,0,0]=4 10903 B14R1.820 Nc1ncc(cc1OC[C@@H](O)CO)Br 7a_100009819042_100009815848 [1,1,0,0,0,0|2,0,0]=4 10904 B14R1.820 Nc1ncc(cc1OC[C@@H](O)CO)Cl 34a_100000123674_100009815848 [1,1,0,0,0,0|2,0,0]=4 10905 B14R1.820 Nc1ncc(cc1OC[C@@H](O)CO)Cl 7a_100000123674_100009815848 [1,1,0,0,0,0|2,0,0]=4 10906 B14R1.820 Nc1ncc(cc1OC[C@@H](O)CO)F 34a_100000094369_100009815848 [1,1,0,0,0,0|2,0,0]=4 10907 B14R1.820 Nc1ncc(cc1OC[C@@H](O)CO)F 7a_100000094369_100009815848 [1,1,0,0,0,0|2,0,0]=4 10908 B14R1.820 O=c1cc(c(c[nH]1)Cl)OCC(O)CO 34a_100000069390_100011219619 [1,1,0,0,0,0|2,0,0]=4 10909 B14R1.820 O=c1cc(c(c[nH]1)Cl)OC[C@@H](O)CO 34a_100000069390_100009815848 [1,1,0,0,0,0|2,0,0]=4 10910 B14R1.820 OCC(O)CNc1cc(ccc1Br)Br 34a_100000737762_100011219619 [1,1,0,0,0,0|2,0,0]=4 10911 B14R1.820 OCC(O)CNc1cc(ccc1Br)Cl 34a_100000687073_100011219619 [1,1,0,0,0,0|2,0,0]=4 10912 B14R1.820 OCC(O)CNc1cc(ccc1Br)F 34a_100000687223_100011219619 [1,1,0,0,0,0|2,0,0]=4 10913 B14R1.820 OCC(O)CNc1cc(ccc1Br)O 34a_100011999798_100011219619 [1,1,0,0,0,0|2,0,0]=4 10914 B14R1.820 OCC(O)CNc1cc(ccc1Cl)Br 34a_100000750497_100011219619 [1,1,0,0,0,0|2,0,0]=4 10915 B14R1.820 OCC(O)CNc1cc(ccc1Cl)Cl 34a_100000184485_100011219619 [1,1,0,0,0,0|2,0,0]=4 10916 B14R1.820 OCC(O)CNc1cc(ccc1Cl)F 34a_100000751338_100011219619 [1,1,0,0,0,0|2,0,0]=4 10917 B14R1.820 OCC(O)CNc1cc(ccc1Cl)I 34a_200000761891_100011219619 [1,1,0,0,0,0|2,0,0]=4 10918 B14R1.820 OCC(O)CNc1cc(ccc1Cl)O 34a_100011934297_100011219619 [1,1,0,0,0,0|2,0,0]=4 10919 B14R1.820 OCC(O)CNc1cc(ccc1F)Br 34a_100000740924_100011219619 [1,1,0,0,0,0|2,0,0]=4 10920 B14R1.820 OCC(O)CNc1cc(ccc1F)Cl 34a_100000212115_100011219619 [1,1,0,0,0,0|2,0,0]=4 10921 B14R1.820 OCC(O)CNc1cc(ccc1F)F 34a_100000210742_100011219619 [1,1,0,0,0,0|2,0,0]=4 10922 B14R1.820 OCC(O)CNc1cc(ccc1F)I 34a_100011464823_100011219619 [1,1,0,0,0,0|2,0,0]=4 10923 B14R1.820 OCC(O)CNc1cc(ccc1F)O 34a_100012017239_100011219619 [1,1,0,0,0,0|2,0,0]=4 10924 B14R1.820 OCC(O)CNc1cc(ccc1I)Br 34a_100000743836_100011219619 [1,1,0,0,0,0|2,0,0]=4 10925 B14R1.820 OCC(O)CNc1cc(ccc1I)Cl 34a_100000761886_100011219619 [1,1,0,0,0,0|2,0,0]=4 10926 B14R1.820 OCC(O)CNc1cc(ccc1I)F 34a_100011218093_100011219619 [1,1,0,0,0,0|2,0,0]=4 10927 B14R1.820 OCC(O)CNc1cc(ccc1O)Br 34a_100000752626_100011219619 [1,1,0,0,0,0|1,0,0]=3 10928 B14R1.820 OCC(O)CNc1cc(ccc1O)Cl 34a_100000210500_100011219619 [1,1,0,0,0,0|1,0,0]=3 10929 B14R1.820 OCC(O)CNc1cc(ccc1O)F 34a_100000759472_100011219619 [1,1,0,0,0,0|1,0,0]=3 10930 B14R1.820 OCC(O)COc1cc(ccc1Br)Br 34a_100011220040_100011219619 [1,1,0,0,0,0|1,0,0]=3 10931 B14R1.820 OCC(O)COc1cc(ccc1Br)Br 7a_100011220040_100011219619 [1,1,0,0,0,0|1,0,0]=3 10932 B14R1.820 OCC(O)COc1cc(ccc1Br)Cl 34a_100012339455_100011219619 [1,1,0,0,0,0|1,0,0]=3 10933 B14R1.820 OCC(O)COc1cc(ccc1Br)Cl 7a_100012339455_100011219619 [1,1,0,0,0,0|1,0,0]=3 10934 B14R1.820 OCC(O)COc1cc(ccc1Br)F 34a_100000690578_100011219619 [1,1,0,0,0,0|1,0,0]=3 10935 B14R1.820 OCC(O)COc1cc(ccc1Br)F 7a_100000690578_100011219619 [1,1,0,0,0,0|1,0,0]=3 10936 B14R1.820 OCC(O)COc1cc(ccc1Br)I 34a_100012356990_100011219619 [1,1,0,0,0,0|1,0,0]=3 10937 B14R1.820 OCC(O)COc1cc(ccc1Br)I 7a_100012356990_100011219619 [1,1,0,0,0,0|1,0,0]=3 10938 B14R1.820 OCC(O)COc1cc(ccc1Cl)Br 34a_100000738945_100011219619 [1,1,0,0,0,0|1,0,0]=3 10939 B14R1.820 OCC(O)COc1cc(ccc1Cl)Br 7a_100000738945_100011219619 [1,1,0,0,0,0|1,0,0]=3 10940 B14R1.820 OCC(O)COc1cc(ccc1Cl)Cl 34a_100000211422_100011219619 [1,1,0,0,0,0|1,0,0]=3 10941 B14R1.820 OCC(O)COc1cc(ccc1Cl)Cl 7a_100000211422_100011219619 [1,1,0,0,0,0|1,0,0]=3 10942 B14R1.820 OCC(O)COc1cc(ccc1Cl)F 34a_100000692107_100011219619 [1,1,0,0,0,0|1,0,0]=3 10943 B14R1.820 OCC(O)COc1cc(ccc1Cl)F 7a_100000692107_100011219619 [1,1,0,0,0,0|1,0,0]=3 10944 B14R1.820 OCC(O)COc1cc(ccc1Cl)I 34a_100011356854_100011219619 [1,1,0,0,0,0|1,0,0]=3 10945 B14R1.820 OCC(O)COc1cc(ccc1Cl)I 7a_100011356854_100011219619 [1,1,0,0,0,0|1,0,0]=3 10946 B14R1.820 OCC(O)COc1cc(ccc1F)Br 34a_100000686035_100011219619 [1,1,0,0,0,0|1,0,0]=3 10947 B14R1.820 OCC(O)COc1cc(ccc1F)Br 7a_100000686035_100011219619 [1,1,0,0,0,0|1,0,0]=3 10948 B14R1.820 OCC(O)COc1cc(ccc1F)Cl 34a_100000757397_100011219619 [1,1,0,0,0,0|1,0,0]=3 10949 B14R1.820 OCC(O)COc1cc(ccc1F)Cl 7a_100000757397_100011219619 [1,1,0,0,0,0|1,0,0]=3 10950 B14R1.820 OCC(O)COc1cc(ccc1F)F 34a_100000752141_100011219619 [1,1,0,0,0,0|1,0,0]=3 10951 B14R1.820 OCC(O)COc1cc(ccc1F)F 7a_100000752141_100011219619 [1,1,0,0,0,0|1,0,0]=3 10952 B14R1.820 OCC(O)COc1cc(ccc1F)I 34a_100009958187_100011219619 [1,1,0,0,0,0|1,0,0]=3 10953 B14R1.820 OCC(O)COc1cc(ccc1F)I 7a_100009958187_100011219619 [1,1,0,0,0,0|1,0,0]=3 10954 B14R1.820 OCC(O)COc1cc(ccc1I)Br 34a_100012344904_100011219619 [1,1,0,0,0,0|1,0,0]=3 10955 B14R1.820 OCC(O)COc1cc(ccc1I)Br 7a_100012344904_100011219619 [1,1,0,0,0,0|1,0,0]=3 10956 B14R1.820 OCC(O)COc1cc(ccc1I)Cl 34a_100000050036_100011219619 [1,1,0,0,0,0|1,0,0]=3 10957 B14R1.820 OCC(O)COc1cc(ccc1I)Cl 7a_100000050036_100011219619 [1,1,0,0,0,0|1,0,0]=3 10958 B14R1.820 OCC(O)COc1cc(ccc1I)F 34a_100010084537_100011219619 [1,1,0,0,0,0|1,0,0]=3 10959 B14R1.820 OCC(O)COc1cc(ccc1I)F 7a_100010084537_100011219619 [1,1,0,0,0,0|1,0,0]=3 10960 B14R1.820 OCC(O)COc1cc(cnc1Br)Cl 34a_100000697010_100011219619 [1,1,0,0,0,0|2,0,0]=4 10961 B14R1.820 OCC(O)COc1cc(cnc1Br)Cl 7a_100000697010_100011219619 [1,1,0,0,0,0|2,0,0]=4 10962 B14R1.820 OCC(O)COc1cc(cnc1Br)F 34a_100009820119_100011219619 [1,1,0,0,0,0|2,0,0]=4 10963 B14R1.820 OCC(O)COc1cc(cnc1Br)F 7a_100009820119_100011219619 [1,1,0,0,0,0|2,0,0]=4 10964 B14R1.820 OCC(O)COc1cc(cnc1Cl)Br 34a_100012354860_100011219619 [1,1,0,0,0,0|2,0,0]=4 10965 B14R1.820 OCC(O)COc1cc(cnc1Cl)Br 7a_100012354860_100011219619 [1,1,0,0,0,0|2,0,0]=4 10966 B14R1.820 OCC(O)COc1cc(cnc1Cl)F 34a_100000079967_100011219619 [1,1,0,0,0,0|2,0,0]=4 10967 B14R1.820 OCC(O)COc1cc(cnc1Cl)F 7a_100000079967_100011219619 [1,1,0,0,0,0|2,0,0]=4 10968 B14R1.820 OCC(O)COc1cc(cnc1F)Br 34a_100009819871_100011219619 [1,1,0,0,0,0|2,0,0]=4 10969 B14R1.820 OCC(O)COc1cc(cnc1F)Br 7a_100009819871_100011219619 [1,1,0,0,0,0|2,0,0]=4 10970 B14R1.820 OCC(O)COc1cc(cnc1F)Cl 34a_100000094372_100011219619 [1,1,0,0,0,0|2,0,0]=4 10971 B14R1.820 OCC(O)COc1cc(cnc1F)Cl 7a_100000094372_100011219619 [1,1,0,0,0,0|2,0,0]=4 10972 B14R1.820 OCC(O)COc1cc(cnc1I)Br 34a_100010210634_100011219619 [1,1,0,0,0,0|2,0,0]=4 10973 B14R1.820 OCC(O)COc1cc(cnc1I)Br 7a_100010210634_100011219619 [1,1,0,0,0,0|2,0,0]=4 10974 B14R1.820 OCC(O)COc1cc(cnc1I)Cl 34a_100010233512_100011219619 [1,1,0,0,0,0|2,0,0]=4 10975 B14R1.820 OCC(O)COc1cc(cnc1I)Cl 7a_100010233512_100011219619 [1,1,0,0,0,0|2,0,0]=4 10976 B14R1.820 OCC(O)COc1cc(cnc1I)F 34a_100015624800_100011219619 [1,1,0,0,0,0|2,0,0]=4 10977 B14R1.820 OCC(O)COc1cc(cnc1I)F 7a_100015624800_100011219619 [1,1,0,0,0,0|2,0,0]=4 10978 B14R1.820 OCC(O)COc1cc(ncc1Br)Br 34a_100010235016_100011219619 [1,1,0,0,0,0|2,0,0]=4 10979 B14R1.820 OCC(O)COc1cc(ncc1Br)Cl 34a_100010173860_100011219619 [1,1,0,0,0,0|2,0,0]=4 10980 B14R1.820 OCC(O)COc1cc(ncc1Cl)Br 34a_100010173861_100011219619 [1,1,0,0,0,0|2,0,0]=4 10981 B14R1.820 OCC(O)COc1cc(ncc1F)Br 34a_100009854642_100011219619 [1,1,0,0,0,0|2,0,0]=4 10982 B14R1.820 OCC(O)COc1cc(ncc1F)Cl 34a_100009851168_100011219619 [1,1,0,0,0,0|2,0,0]=4 10983 B14R1.820 OCC(O)COc1nc(ccc1F)Cl 34a_100010729010_100011219619 [1,1,0,0,0,0|2,0,0]=4 10984 B14R1.820 OCC(O)CSc1cc(ccc1Br)Br 62a_100011219619_100011483371 [1,1,0,0,0,0|1,1,0]=4 10985 B14R1.820 OCC(O)CSc1cc(ccc1Br)Br 62a_100011483371_100011219619 [1,1,0,0,0,0|1,1,0]=4 10986 B14R1.820 OCC(O)CSc1cc(ccc1Br)Cl 62a_100011219619_100012339723 [1,1,0,0,0,0|1,1,0]=4 10987 B14R1.820 OCC(O)CSc1cc(ccc1Br)Cl 62a_100012339723_100011219619 [1,1,0,0,0,0|1,1,0]=4 10988 B14R1.820 OCC(O)CSc1cc(ccc1Br)F 62a_100011217576_100011219619 [1,1,0,0,0,0|1,1,0]=4 10989 B14R1.820 OCC(O)CSc1cc(ccc1Br)F 62a_100011219619_100011217576 [1,1,0,0,0,0|1,1,0]=4 10990 B14R1.820 OCC(O)CSc1cc(ccc1Br)O 62a_100011219619_100012339312 [1,1,0,0,0,0|1,1,0]=4 10991 B14R1.820 OCC(O)CSc1cc(ccc1Br)O 62a_100012339312_100011219619 [1,1,0,0,0,0|1,1,0]=4 10992 B14R1.820 OCC(O)CSc1cc(ccc1Cl)Br 62a_100011219619_100011772130 [1,1,0,0,0,0|1,1,0]=4 10993 B14R1.820 OCC(O)CSc1cc(ccc1Cl)Br 62a_100011772130_100011219619 [1,1,0,0,0,0|1,1,0]=4 10994 B14R1.820 OCC(O)CSc1cc(ccc1Cl)Cl 62a_100000707729_100011219619 [1,1,0,0,0,0|1,1,0]=4 10995 B14R1.820 OCC(O)CSc1cc(ccc1Cl)Cl 62a_100011219619_100000707729 [1,1,0,0,0,0|1,1,0]=4 10996 B14R1.820 OCC(O)CSc1cc(ccc1Cl)F 62a_100011217299_100011219619 [1,1,0,0,0,0|1,1,0]=4 10997 B14R1.820 OCC(O)CSc1cc(ccc1Cl)F 62a_100011219619_100011217299 [1,1,0,0,0,0|1,1,0]=4 10998 B14R1.820 OCC(O)CSc1cc(ccc1Cl)O 62a_100000049588_100011219619 [1,1,0,0,0,0|1,1,0]=4 10999 B14R1.820 OCC(O)CSc1cc(ccc1Cl)O 62a_100011219619_100000049588 [1,1,0,0,0,0|1,1,0]=4 11000 B14R1.820 OCC(O)CSc1cc(ccc1F)Br 62a_100011217312_100011219619 [1,1,0,0,0,0|1,1,0]=4 11001 B14R1.820 OCC(O)CSc1cc(ccc1F)Br 62a_100011219619_100011217312 [1,1,0,0,0,0|1,1,0]=4 11002 B14R1.820 OCC(O)CSc1cc(ccc1F)Cl 62a_100011218116_100011219619 [1,1,0,0,0,0|1,1,0]=4 11003 B14R1.820 OCC(O)CSc1cc(ccc1F)Cl 62a_100011219619_100011218116 [1,1,0,0,0,0|1,1,0]=4 11004 B14R1.820 OCC(O)CSc1cc(ccc1F)F 62a_100011219198_100011219619 [1,1,0,0,0,0|1,1,0]=4 11005 B14R1.820 OCC(O)CSc1cc(ccc1F)F 62a_100011219619_100011219198 [1,1,0,0,0,0|1,1,0]=4 11006 B14R1.820 OCC(O)CSc1cc(ccc1F)O 62a_100000693481_100011219619 [1,1,0,0,0,0|1,1,0]=4 11007 B14R1.820 OCC(O)CSc1cc(ccc1F)O 62a_100011219619_100000693481 [1,1,0,0,0,0|1,1,0]=4 11008 B14R1.820 OCC(O)CSc1cc(ccc1O)Br 62a_100011219619_100012355227 [1,1,0,0,0,0|0,1,0]=3 11009 B14R1.820 OCC(O)CSc1cc(ccc1O)Br 62a_100012355227_100011219619 [1,1,0,0,0,0|0,1,0]=3 11010 B14R1.820 OCC(O)CSc1cc(ccc1O)Cl 62a_100011219619_100011356953 [1,1,0,0,0,0|0,1,0]=3 11011 B14R1.820 OCC(O)CSc1cc(ccc1O)Cl 62a_100011356953_100011219619 [1,1,0,0,0,0|0,1,0]=3 11012 B14R1.820 OCC(O)CSc1cc(ccc1O)F 62a_100000211999_100011219619 [1,1,0,0,0,0|0,1,0]=3 11013 B14R1.820 OCC(O)CSc1cc(ccc1O)F 62a_100011219619_100000211999 [1,1,0,0,0,0|0,1,0]=3 11014 B14R1.820 OCC(O)CSc1cc(ccc1O)O 62a_100011219619_100009813629 [1,1,0,0,0,0|0,1,0]=3 11015 B14R1.820 OCC(O)CSc1cc(cnc1O)Br 62a_100010197142_100011219619 [1,1,0,0,0,0|1,1,0]=4 11016 B14R1.820 OCC(O)CSc1cc(cnc1O)Br 62a_100011219619_100010197142 [1,1,0,0,0,0|1,1,0]=4 11017 B14R1.820 OCC(O)CSc1cc(cnc1O)Cl 62a_100010188700_100011219619 [1,1,0,0,0,0|1,1,0]=4 11018 B14R1.820 OCC(O)CSc1cc(cnc1O)Cl 62a_100011219619_100010188700 [1,1,0,0,0,0|1,1,0]=4 11019 B14R1.820 OCC(O)CSc1cc(ncc1O)Cl 62a_100000698892_100011219619 [1,1,0,0,0,0|1,1,0]=4 11020 B14R1.820 OCC(O)CSc1cc(ncc1O)Cl 62a_100011219619_100000698892 [1,1,0,0,0,0|1,1,0]=4 11021 B14R1.820 OCC(O)CSc1nc(ccc1O)Br 62a_100010253912_100011219619 [1,1,0,0,0,0|1,1,0]=4 11022 B14R1.820 OCC(O)CSc1nc(ccc1O)Br 62a_100011219619_100010253912 [1,1,0,0,0,0|1,1,0]=4 11023 B14R1.820 OCC(O)CSc1nc(ccc1O)Cl 62a_100011219619_100000696390 [1,1,0,0,0,0|1,1,0]=4 11024 B14R1.820 OCC(O)CSc1nc(ccc1O)F 62a_100010382442_100011219619 [1,1,0,0,0,0|1,1,0]=4 11025 B14R1.820 OCC(O)CSc1nc(ccc1O)F 62a_100011219619_100010382442 [1,1,0,0,0,0|1,1,0]=4 11026 B14R1.820 OC[C@H](O)CNc1cc(ccc1Br)Br 34a_100000737762_100009815848 [1,1,0,0,0,0|2,0,0]=4 11027 B14R1.820 OC[C@H](O)CNc1cc(ccc1Br)Cl 34a_100000687073_100009815848 [1,1,0,0,0,0|2,0,0]=4 11028 B14R1.820 OC[C@H](O)CNc1cc(ccc1Br)F 34a_100000687223_100009815848 [1,1,0,0,0,0|2,0,0]=4 11029 B14R1.820 OC[C@H](O)CNc1cc(ccc1Br)O 34a_100011999798_100009815848 [1,1,0,0,0,0|2,0,0]=4 11030 B14R1.820 OC[C@H](O)CNc1cc(ccc1Cl)Br 34a_100000750497_100009815848 [1,1,0,0,0,0|2,0,0]=4 11031 B14R1.820 OC[C@H](O)CNc1cc(ccc1Cl)Cl 34a_100000184485_100009815848 [1,1,0,0,0,0|2,0,0]=4 11032 B14R1.820 OC[C@H](O)CNc1cc(ccc1Cl)F 34a_100000751338_100009815848 [1,1,0,0,0,0|2,0,0]=4 11033 B14R1.820 OC[C@H](O)CNc1cc(ccc1Cl)I 34a_200000761891_100009815848 [1,1,0,0,0,0|2,0,0]=4 11034 B14R1.820 OC[C@H](O)CNc1cc(ccc1Cl)O 34a_100011934297_100009815848 [1,1,0,0,0,0|2,0,0]=4 11035 B14R1.820 OC[C@H](O)CNc1cc(ccc1F)Br 34a_100000740924_100009815848 [1,1,0,0,0,0|2,0,0]=4 11036 B14R1.820 OC[C@H](O)CNc1cc(ccc1F)Cl 34a_100000212115_100009815848 [1,1,0,0,0,0|2,0,0]=4 11037 B14R1.820 OC[C@H](O)CNc1cc(ccc1F)F 34a_100000210742_100009815848 [1,1,0,0,0,0|2,0,0]=4 11038 B14R1.820 OC[C@H](O)CNc1cc(ccc1F)I 34a_100011464823_100009815848 [1,1,0,0,0,0|2,0,0]=4 11039 B14R1.820 OC[C@H](O)CNc1cc(ccc1F)O 34a_100012017239_100009815848 [1,1,0,0,0,0|2,0,0]=4 11040 B14R1.820 OC[C@H](O)CNc1cc(ccc1I)Br 34a_100000743836_100009815848 [1,1,0,0,0,0|2,0,0]=4 11041 B14R1.820 OC[C@H](O)CNc1cc(ccc1I)Cl 34a_100000761886_100009815848 [1,1,0,0,0,0|2,0,0]=4 11042 B14R1.820 OC[C@H](O)CNc1cc(ccc1I)F 34a_100011218093_100009815848 [1,1,0,0,0,0|2,0,0]=4 11043 B14R1.820 OC[C@H](O)CNc1cc(ccc1O)Br 34a_100000752626_100009815848 [1,1,0,0,0,0|1,0,0]=3 11044 B14R1.820 OC[C@H](O)CNc1cc(ccc1O)Cl 34a_100000210500_100009815848 [1,1,0,0,0,0|1,0,0]=3 11045 B14R1.820 OC[C@H](O)CNc1cc(ccc1O)F 34a_100000759472_100009815848 [1,1,0,0,0,0|1,0,0]=3 11046 B14R1.820 OC[C@H](O)COc1cc(ccc1Br)Br 34a_100011220040_100009815848 [1,1,0,0,0,0|1,0,0]=3 11047 B14R1.820 OC[C@H](O)COc1cc(ccc1Br)Br 7a_100011220040_100009815848 [1,1,0,0,0,0|1,0,0]=3 11048 B14R1.820 OC[C@H](O)COc1cc(ccc1Br)Cl 34a_100012339455_100009815848 [1,1,0,0,0,0|1,0,0]=3 11049 B14R1.820 OC[C@H](O)COc1cc(ccc1Br)Cl 7a_100012339455_100009815848 [1,1,0,0,0,0|1,0,0]=3 11050 B14R1.820 OC[C@H](O)COc1cc(ccc1Br)F 34a_100000690578_100009815848 [1,1,0,0,0,0|1,0,0]=3 11051 B14R1.820 OC[C@H](O)COc1cc(ccc1Br)F 7a_100000690578_100009815848 [1,1,0,0,0,0|1,0,0]=3 11052 B14R1.820 OC[C@H](O)COc1cc(ccc1Br)I 34a_100012356990_100009815848 [1,1,0,0,0,0|1,0,0]=3 11053 B14R1.820 OC[C@H](O)COc1cc(ccc1Br)I 7a_100012356990_100009815848 [1,1,0,0,0,0|1,0,0]=3 11054 B14R1.820 OC[C@H](O)COc1cc(ccc1Cl)Br 34a_100000738945_100009815848 [1,1,0,0,0,0|1,0,0]=3 11055 B14R1.820 OC[C@H](O)COc1cc(ccc1Cl)Br 7a_100000738945_100009815848 [1,1,0,0,0,0|1,0,0]=3 11056 B14R1.820 OC[C@H](O)COc1cc(ccc1Cl)Cl 34a_100000211422_100009815848 [1,1,0,0,0,0|1,0,0]=3 11057 B14R1.820 OC[C@H](O)COc1cc(ccc1Cl)Cl 7a_100000211422_100009815848 [1,1,0,0,0,0|1,0,0]=3 11058 B14R1.820 OC[C@H](O)COc1cc(ccc1Cl)F 34a_100000692107_100009815848 [1,1,0,0,0,0|1,0,0]=3 11059 B14R1.820 OC[C@H](O)COc1cc(ccc1Cl)F 7a_100000692107_100009815848 [1,1,0,0,0,0|1,0,0]=3 11060 B14R1.820 OC[C@H](O)COc1cc(ccc1Cl)I 34a_100011356854_100009815848 [1,1,0,0,0,0|1,0,0]=3 11061 B14R1.820 OC[C@H](O)COc1cc(ccc1Cl)I 7a_100011356854_100009815848 [1,1,0,0,0,0|1,0,0]=3 11062 B14R1.820 OC[C@H](O)COc1cc(ccc1F)Br 34a_100000686035_100009815848 [1,1,0,0,0,0|1,0,0]=3 11063 B14R1.820 OC[C@H](O)COc1cc(ccc1F)Br 7a_100000686035_100009815848 [1,1,0,0,0,0|1,0,0]=3 11064 B14R1.820 OC[C@H](O)COc1cc(ccc1F)Cl 34a_100000757397_100009815848 [1,1,0,0,0,0|1,0,0]=3 11065 B14R1.820 OC[C@H](O)COc1cc(ccc1F)Cl 7a_100000757397_100009815848 [1,1,0,0,0,0|1,0,0]=3 11066 B14R1.820 OC[C@H](O)COc1cc(ccc1F)F 34a_100000752141_100009815848 [1,1,0,0,0,0|1,0,0]=3 11067 B14R1.820 OC[C@H](O)COc1cc(ccc1F)F 7a_100000752141_100009815848 [1,1,0,0,0,0|1,0,0]=3 11068 B14R1.820 OC[C@H](O)COc1cc(ccc1F)I 34a_100009958187_100009815848 [1,1,0,0,0,0|1,0,0]=3 11069 B14R1.820 OC[C@H](O)COc1cc(ccc1F)I 7a_100009958187_100009815848 [1,1,0,0,0,0|1,0,0]=3 11070 B14R1.820 OC[C@H](O)COc1cc(ccc1I)Br 34a_100012344904_100009815848 [1,1,0,0,0,0|1,0,0]=3 11071 B14R1.820 OC[C@H](O)COc1cc(ccc1I)Br 7a_100012344904_100009815848 [1,1,0,0,0,0|1,0,0]=3 11072 B14R1.820 OC[C@H](O)COc1cc(ccc1I)Cl 34a_100000050036_100009815848 [1,1,0,0,0,0|1,0,0]=3 11073 B14R1.820 OC[C@H](O)COc1cc(ccc1I)Cl 7a_100000050036_100009815848 [1,1,0,0,0,0|1,0,0]=3 11074 B14R1.820 OC[C@H](O)COc1cc(ccc1I)F 34a_100010084537_100009815848 [1,1,0,0,0,0|1,0,0]=3 11075 B14R1.820 OC[C@H](O)COc1cc(ccc1I)F 7a_100010084537_100009815848 [1,1,0,0,0,0|1,0,0]=3 11076 B14R1.820 OC[C@H](O)COc1cc(cnc1Br)Cl 34a_100000697010_100009815848 [1,1,0,0,0,0|2,0,0]=4 11077 B14R1.820 OC[C@H](O)COc1cc(cnc1Br)Cl 7a_100000697010_100009815848 [1,1,0,0,0,0|2,0,0]=4 11078 B14R1.820 OC[C@H](O)COc1cc(cnc1Br)F 34a_100009820119_100009815848 [1,1,0,0,0,0|2,0,0]=4 11079 B14R1.820 OC[C@H](O)COc1cc(cnc1Br)F 7a_100009820119_100009815848 [1,1,0,0,0,0|2,0,0]=4 11080 B14R1.820 OC[C@H](O)COc1cc(cnc1Cl)Br 34a_100012354860_100009815848 [1,1,0,0,0,0|2,0,0]=4 11081 B14R1.820 OC[C@H](O)COc1cc(cnc1Cl)Br 7a_100012354860_100009815848 [1,1,0,0,0,0|2,0,0]=4 11082 B14R1.820 OC[C@H](O)COc1cc(cnc1Cl)F 34a_100000079967_100009815848 [1,1,0,0,0,0|2,0,0]=4 11083 B14R1.820 OC[C@H](O)COc1cc(cnc1Cl)F 7a_100000079967_100009815848 [1,1,0,0,0,0|2,0,0]=4 11084 B14R1.820 OC[C@H](O)COc1cc(cnc1F)Br 34a_100009819871_100009815848 [1,1,0,0,0,0|2,0,0]=4 11085 B14R1.820 OC[C@H](O)COc1cc(cnc1F)Br 7a_100009819871_100009815848 [1,1,0,0,0,0|2,0,0]=4 11086 B14R1.820 OC[C@H](O)COc1cc(cnc1F)Cl 34a_100000094372_100009815848 [1,1,0,0,0,0|2,0,0]=4 11087 B14R1.820 OC[C@H](O)COc1cc(cnc1F)Cl 7a_100000094372_100009815848 [1,1,0,0,0,0|2,0,0]=4 11088 B14R1.820 OC[C@H](O)COc1cc(cnc1I)Br 34a_100010210634_100009815848 [1,1,0,0,0,0|2,0,0]=4 11089 B14R1.820 OC[C@H](O)COc1cc(cnc1I)Br 7a_100010210634_100009815848 [1,1,0,0,0,0|2,0,0]=4 11090 B14R1.820 OC[C@H](O)COc1cc(cnc1I)Cl 34a_100010233512_100009815848 [1,1,0,0,0,0|2,0,0]=4 11091 B14R1.820 OC[C@H](O)COc1cc(cnc1I)Cl 7a_100010233512_100009815848 [1,1,0,0,0,0|2,0,0]=4 11092 B14R1.820 OC[C@H](O)COc1cc(cnc1I)F 34a_100015624800_100009815848 [1,1,0,0,0,0|2,0,0]=4 11093 B14R1.820 OC[C@H](O)COc1cc(cnc1I)F 7a_100015624800_100009815848 [1,1,0,0,0,0|2,0,0]=4 11094 B14R1.820 OC[C@H](O)COc1cc(ncc1Br)Br 34a_100010235016_100009815848 [1,1,0,0,0,0|2,0,0]=4 11095 B14R1.820 OC[C@H](O)COc1cc(ncc1Br)Cl 34a_100010173860_100009815848 [1,1,0,0,0,0|2,0,0]=4 11096 B14R1.820 OC[C@H](O)COc1cc(ncc1Cl)Br 34a_100010173861_100009815848 [1,1,0,0,0,0|2,0,0]=4 11097 B14R1.820 OC[C@H](O)COc1cc(ncc1F)Br 34a_100009854642_100009815848 [1,1,0,0,0,0|2,0,0]=4 11098 B14R1.820 OC[C@H](O)COc1cc(ncc1F)Cl 34a_100009851168_100009815848 [1,1,0,0,0,0|2,0,0]=4 11099 B14R1.820 OC[C@H](O)COc1nc(ccc1F)Cl 34a_100010729010_100009815848 [1,1,0,0,0,0|2,0,0]=4 11100 B14R1.820 OC[C@H](O)CSc1cc(ccc1Br)Br 62a_100009815848_100011483371 [1,1,0,0,0,0|1,1,0]=4 11101 B14R1.820 OC[C@H](O)CSc1cc(ccc1Br)Br 62a_100011483371_100009815848 [1,1,0,0,0,0|1,1,0]=4 11102 B14R1.820 OC[C@H](O)CSc1cc(ccc1Br)Cl 62a_100009815848_100012339723 [1,1,0,0,0,0|1,1,0]=4 11103 B14R1.820 OC[C@H](O)CSc1cc(ccc1Br)Cl 62a_100012339723_100009815848 [1,1,0,0,0,0|1,1,0]=4 11104 B14R1.820 OC[C@H](O)CSc1cc(ccc1Br)F 62a_100009815848_100011217576 [1,1,0,0,0,0|1,1,0]=4 11105 B14R1.820 OC[C@H](O)CSc1cc(ccc1Br)F 62a_100011217576_100009815848 [1,1,0,0,0,0|1,1,0]=4 11106 B14R1.820 OC[C@H](O)CSc1cc(ccc1Br)O 62a_100009815848_100012339312 [1,1,0,0,0,0|1,1,0]=4 11107 B14R1.820 OC[C@H](O)CSc1cc(ccc1Br)O 62a_100012339312_100009815848 [1,1,0,0,0,0|1,1,0]=4 11108 B14R1.820 OC[C@H](O)CSc1cc(ccc1Cl)Br 62a_100009815848_100011772130 [1,1,0,0,0,0|1,1,0]=4 11109 B14R1.820 OC[C@H](O)CSc1cc(ccc1Cl)Br 62a_100011772130_100009815848 [1,1,0,0,0,0|1,1,0]=4 11110 B14R1.820 OC[C@H](O)CSc1cc(ccc1Cl)Cl 62a_100000707729_100009815848 [1,1,0,0,0,0|1,1,0]=4 11111 B14R1.820 OC[C@H](O)CSc1cc(ccc1Cl)Cl 62a_100009815848_100000707729 [1,1,0,0,0,0|1,1,0]=4 11112 B14R1.820 OC[C@H](O)CSc1cc(ccc1Cl)F 62a_100009815848_100011217299 [1,1,0,0,0,0|1,1,0]=4 11113 B14R1.820 OC[C@H](O)CSc1cc(ccc1Cl)F 62a_100011217299_100009815848 [1,1,0,0,0,0|1,1,0]=4 11114 B14R1.820 OC[C@H](O)CSc1cc(ccc1Cl)O 62a_100000049588_100009815848 [1,1,0,0,0,0|1,1,0]=4 11115 B14R1.820 OC[C@H](O)CSc1cc(ccc1Cl)O 62a_100009815848_100000049588 [1,1,0,0,0,0|1,1,0]=4 11116 B14R1.820 OC[C@H](O)CSc1cc(ccc1F)Br 62a_100009815848_100011217312 [1,1,0,0,0,0|1,1,0]=4 11117 B14R1.820 OC[C@H](O)CSc1cc(ccc1F)Br 62a_100011217312_100009815848 [1,1,0,0,0,0|1,1,0]=4 11118 B14R1.820 OC[C@H](O)CSc1cc(ccc1F)Cl 62a_100009815848_100011218116 [1,1,0,0,0,0|1,1,0]=4 11119 B14R1.820 OC[C@H](O)CSc1cc(ccc1F)Cl 62a_100011218116_100009815848 [1,1,0,0,0,0|1,1,0]=4 11120 B14R1.820 OC[C@H](O)CSc1cc(ccc1F)F 62a_100009815848_100011219198 [1,1,0,0,0,0|1,1,0]=4 11121 B14R1.820 OC[C@H](O)CSc1cc(ccc1F)F 62a_100011219198_100009815848 [1,1,0,0,0,0|1,1,0]=4 11122 B14R1.820 OC[C@H](O)CSc1cc(ccc1F)O 62a_100000693481_100009815848 [1,1,0,0,0,0|1,1,0]=4 11123 B14R1.820 OC[C@H](O)CSc1cc(ccc1F)O 62a_100009815848_100000693481 [1,1,0,0,0,0|1,1,0]=4 11124 B14R1.820 OC[C@H](O)CSc1cc(ccc1O)Br 62a_100009815848_100012355227 [1,1,0,0,0,0|0,1,0]=3 11125 B14R1.820 OC[C@H](O)CSc1cc(ccc1O)Br 62a_100012355227_100009815848 [1,1,0,0,0,0|0,1,0]=3 11126 B14R1.820 OC[C@H](O)CSc1cc(ccc1O)Cl 62a_100009815848_100011356953 [1,1,0,0,0,0|0,1,0]=3 11127 B14R1.820 OC[C@H](O)CSc1cc(ccc1O)Cl 62a_100011356953_100009815848 [1,1,0,0,0,0|0,1,0]=3 11128 B14R1.820 OC[C@H](O)CSc1cc(ccc1O)F 62a_100000211999_100009815848 [1,1,0,0,0,0|0,1,0]=3 11129 B14R1.820 OC[C@H](O)CSc1cc(ccc1O)F 62a_100009815848_100000211999 [1,1,0,0,0,0|0,1,0]=3 11130 B14R1.820 OC[C@H](O)CSc1cc(ccc1O)O 62a_100009815848_100009813629 [1,1,0,0,0,0|0,1,0]=3 11131 B14R1.820 OC[C@H](O)CSc1cc(cnc1O)Br 62a_100009815848_100010197142 [1,1,0,0,0,0|1,1,0]=4 11132 B14R1.820 OC[C@H](O)CSc1cc(cnc1O)Br 62a_100010197142_100009815848 [1,1,0,0,0,0|1,1,0]=4 11133 B14R1.820 OC[C@H](O)CSc1cc(cnc1O)Cl 62a_100009815848_100010188700 [1,1,0,0,0,0|1,1,0]=4 11134 B14R1.820 OC[C@H](O)CSc1cc(cnc1O)Cl 62a_100010188700_100009815848 [1,1,0,0,0,0|1,1,0]=4 11135 B14R1.820 OC[C@H](O)CSc1cc(ncc1O)Cl 62a_100000698892_100009815848 [1,1,0,0,0,0|1,1,0]=4 11136 B14R1.820 OC[C@H](O)CSc1cc(ncc1O)Cl 62a_100009815848_100000698892 [1,1,0,0,0,0|1,1,0]=4 11137 B14R1.820 OC[C@H](O)CSc1nc(ccc1O)Br 62a_100009815848_100010253912 [1,1,0,0,0,0|1,1,0]=4 11138 B14R1.820 OC[C@H](O)CSc1nc(ccc1O)Br 62a_100010253912_100009815848 [1,1,0,0,0,0|1,1,0]=4 11139 B14R1.820 OC[C@H](O)CSc1nc(ccc1O)Cl 62a_100009815848_100000696390 [1,1,0,0,0,0|1,1,0]=4 11140 B14R1.820 OC[C@H](O)CSc1nc(ccc1O)F 62a_100009815848_100010382442 [1,1,0,0,0,0|1,1,0]=4 11141 B14R1.820 OC[C@H](O)CSc1nc(ccc1O)F 62a_100010382442_100009815848 [1,1,0,0,0,0|1,1,0]=4 11142 B14R1.820 O[C@@H](CF)COc1cc(ccc1Br)Br 34a_100011220040_100015614560 [1,1,0,0,0,0|2,0,0]=4 11143 B14R1.820 O[C@@H](CF)COc1cc(ccc1Br)Br 7a_100011220040_100015614560 [1,1,0,0,0,0|2,0,0]=4 11144 B14R1.820 O[C@@H](CF)COc1cc(ccc1Br)Cl 34a_100012339455_100015614560 [1,1,0,0,0,0|2,0,0]=4 11145 B14R1.820 O[C@@H](CF)COc1cc(ccc1Br)Cl 7a_100012339455_100015614560 [1,1,0,0,0,0|2,0,0]=4 11146 B14R1.820 O[C@@H](CF)COc1cc(ccc1Br)F 34a_100000690578_100015614560 [1,1,0,0,0,0|2,0,0]=4 11147 B14R1.820 O[C@@H](CF)COc1cc(ccc1Br)F 7a_100000690578_100015614560 [1,1,0,0,0,0|2,0,0]=4 11148 B14R1.820 O[C@@H](CF)COc1cc(ccc1Br)I 34a_100012356990_100015614560 [1,1,0,0,0,0|2,0,0]=4 11149 B14R1.820 O[C@@H](CF)COc1cc(ccc1Br)I 7a_100012356990_100015614560 [1,1,0,0,0,0|2,0,0]=4 11150 B14R1.820 O[C@@H](CF)COc1cc(ccc1Cl)Br 34a_100000738945_100015614560 [1,1,0,0,0,0|2,0,0]=4 11151 B14R1.820 O[C@@H](CF)COc1cc(ccc1Cl)Br 7a_100000738945_100015614560 [1,1,0,0,0,0|2,0,0]=4 11152 B14R1.820 O[C@@H](CF)COc1cc(ccc1Cl)Cl 34a_100000211422_100015614560 [1,1,0,0,0,0|2,0,0]=4 11153 B14R1.820 O[C@@H](CF)COc1cc(ccc1Cl)Cl 7a_100000211422_100015614560 [1,1,0,0,0,0|2,0,0]=4 11154 B14R1.820 O[C@@H](CF)COc1cc(ccc1Cl)F 34a_100000692107_100015614560 [1,1,0,0,0,0|2,0,0]=4 11155 B14R1.820 O[C@@H](CF)COc1cc(ccc1Cl)F 7a_100000692107_100015614560 [1,1,0,0,0,0|2,0,0]=4 11156 B14R1.820 O[C@@H](CF)COc1cc(ccc1Cl)I 34a_100011356854_100015614560 [1,1,0,0,0,0|2,0,0]=4 11157 B14R1.820 O[C@@H](CF)COc1cc(ccc1Cl)I 7a_100011356854_100015614560 [1,1,0,0,0,0|2,0,0]=4 11158 B14R1.820 O[C@@H](CF)COc1cc(ccc1F)Br 34a_100000686035_100015614560 [1,1,0,0,0,0|2,0,0]=4 11159 B14R1.820 O[C@@H](CF)COc1cc(ccc1F)Br 7a_100000686035_100015614560 [1,1,0,0,0,0|2,0,0]=4 11160 B14R1.820 O[C@@H](CF)COc1cc(ccc1F)Cl 34a_100000757397_100015614560 [1,1,0,0,0,0|2,0,0]=4 11161 B14R1.820 O[C@@H](CF)COc1cc(ccc1F)Cl 7a_100000757397_100015614560 [1,1,0,0,0,0|2,0,0]=4 11162 B14R1.820 O[C@@H](CF)COc1cc(ccc1F)F 34a_100000752141_100015614560 [1,1,0,0,0,0|2,0,0]=4 11163 B14R1.820 O[C@@H](CF)COc1cc(ccc1F)F 7a_100000752141_100015614560 [1,1,0,0,0,0|2,0,0]=4 11164 B14R1.820 O[C@@H](CF)COc1cc(ccc1F)I 34a_100009958187_100015614560 [1,1,0,0,0,0|2,0,0]=4 11165 B14R1.820 O[C@@H](CF)COc1cc(ccc1F)I 7a_100009958187_100015614560 [1,1,0,0,0,0|2,0,0]=4 11166 B14R1.820 O[C@@H](CF)COc1cc(ccc1I)Br 34a_100012344904_100015614560 [1,1,0,0,0,0|2,0,0]=4 11167 B14R1.820 O[C@@H](CF)COc1cc(ccc1I)Br 7a_100012344904_100015614560 [1,1,0,0,0,0|2,0,0]=4 11168 B14R1.820 O[C@@H](CF)COc1cc(ccc1I)Cl 34a_100000050036_100015614560 [1,1,0,0,0,0|2,0,0]=4 11169 B14R1.820 O[C@@H](CF)COc1cc(ccc1I)Cl 7a_100000050036_100015614560 [1,1,0,0,0,0|2,0,0]=4 11170 B14R1.820 O[C@@H](CF)COc1cc(ccc1I)F 34a_100010084537_100015614560 [1,1,0,0,0,0|2,0,0]=4 11171 B14R1.820 O[C@@H](CF)COc1cc(ccc1I)F 7a_100010084537_100015614560 [1,1,0,0,0,0|2,0,0]=4 11172 B14R1.820 Oc1ccc(c(c1)SC[C@@H](O)CF)O 62a_100015614560_100009813629 [1,1,0,0,0,0|1,1,0]=4 11173 B14R1.820 Oc1ccc(cc1NC[C@@H](O)CF)Br 34a_100000752626_100015614560 [1,1,0,0,0,0|2,0,0]=4 11174 B14R1.820 Oc1ccc(cc1NC[C@@H](O)CF)Cl 34a_100000210500_100015614560 [1,1,0,0,0,0|2,0,0]=4 11175 B14R1.820 Oc1ccc(cc1NC[C@@H](O)CF)F 34a_100000759472_100015614560 [1,1,0,0,0,0|2,0,0]=4 11176 B14R1.820 Oc1ccc(cc1SC[C@@H](O)CF)Br 62a_100012355227_100015614560 [1,1,0,0,0,0|1,1,0]=4 11177 B14R1.820 Oc1ccc(cc1SC[C@@H](O)CF)Br 62a_100015614560_100012355227 [1,1,0,0,0,0|1,1,0]=4 11178 B14R1.820 Oc1ccc(cc1SC[C@@H](O)CF)Cl 62a_100011356953_100015614560 [1,1,0,0,0,0|1,1,0]=4 11179 B14R1.820 Oc1ccc(cc1SC[C@@H](O)CF)Cl 62a_100015614560_100011356953 [1,1,0,0,0,0|1,1,0]=4 11180 B14R1.820 Oc1ccc(cc1SC[C@@H](O)CF)F 62a_100000211999_100015614560 [1,1,0,0,0,0|1,1,0]=4 11181 B14R1.820 Oc1ccc(cc1SC[C@@H](O)CF)F 62a_100015614560_100000211999 [1,1,0,0,0,0|1,1,0]=4 11182 B14R1.1007 Cc1ccccc1CC(=O)C(O)CO 1458a_100011215603_100000211839 [1,1,0,0,0,0|1,0,1]=4 11183 B14R1.1007 Cc1ccccc1NC(=O)C(O)CO 22a_100015192222_100011215603 [1,1,0,0,0,0|1,0,1]=4 11184 B14R1.1007 O=C(Nc1ccccc1O)C(O)CO 22a_100000185747_100011215603 [1,1,0,0,0,0|1,0,1]=4 11185 B14R1.19598 C=CC(O)COc1c(cccc1Br)C 34a_100009817157_100000730141 [1,1,0,0,0,0|1,0,1]=4 11186 B14R1.19598 C=CC(O)COc1c(cccc1Br)C 7a_100009817157_100000730141 [1,1,0,0,0,0|1,0,1]=4 11187 B14R1.19598 C=CC(O)COc1c(cccc1C)C 34a_100000210341_100000730141 [1,1,0,0,0,0|1,0,1]=4 11188 B14R1.19598 C=CC(O)COc1c(cccc1C)C 7a_100000210341_100000730141 [1,1,0,0,0,0|1,0,1]=4 11189 B14R1.19598 C=CC(O)COc1c(cccc1Cl)C 34a_100000033731_100000730141 [1,1,0,0,0,0|1,0,1]=4 11190 B14R1.19598 C=CC(O)COc1c(cccc1Cl)C 7a_100000033731_100000730141 [1,1,0,0,0,0|1,0,1]=4 11191 B14R1.19598 C=CC(O)COc1c(cccc1F)C 34a_100011659162_100000730141 [1,1,0,0,0,0|1,0,1]=4 11192 B14R1.19598 C=CC(O)COc1c(cccc1F)C 7a_100011659162_100000730141 [1,1,0,0,0,0|1,0,1]=4 11193 B14R1.19598 C=CC(O)COc1c(cccc1N)C 34a_100000756359_100000730141 [1,1,0,0,0,0|1,0,1]=4 11194 B14R1.19598 C=CC(O)COc1c(cccc1N)C 7a_100000756359_100000730141 [1,1,0,0,0,0|1,0,1]=4 11195 B14R1.19598 CCC(C)COc1c(cccc1Br)C 34a_100009817157_100000748023 [1,1,0,0,0,0|2,0,0]=4 11196 B14R1.19598 CCC(C)COc1c(cccc1Br)C 7a_100009817157_100000748023 [1,1,0,0,0,0|2,0,0]=4 11197 B14R1.19598 CCC(C)COc1c(cccc1C)C 34a_100000210341_100000748023 [1,1,0,0,0,0|2,0,0]=4 11198 B14R1.19598 CCC(C)COc1c(cccc1C)C 7a_100000210341_100000748023 [1,1,0,0,0,0|2,0,0]=4 11199 B14R1.19598 CCC(C)COc1c(cccc1Cl)C 34a_100000033731_100000748023 [1,1,0,0,0,0|2,0,0]=4 11200 B14R1.19598 CCC(C)COc1c(cccc1Cl)C 7a_100000033731_100000748023 [1,1,0,0,0,0|2,0,0]=4 11201 B14R1.19598 CCC(C)COc1c(cccc1F)C 34a_100011659162_100000748023 [1,1,0,0,0,0|2,0,0]=4 11202 B14R1.19598 CCC(C)COc1c(cccc1F)C 7a_100011659162_100000748023 [1,1,0,0,0,0|2,0,0]=4 11203 B14R1.19598 CCC(C)COc1c(cccc1N)C 34a_100000756359_100000748023 [1,1,0,0,0,0|2,0,0]=4 11204 B14R1.19598 CCC(C)COc1c(cccc1N)C 7a_100000756359_100000748023 [1,1,0,0,0,0|2,0,0]=4 11205 B14R1.19598 CCC(O)CNc1c(cccc1Br)C 34a_100011834072_100011218378 [1,1,0,0,0,0|2,0,0]=4 11206 B14R1.19598 CCC(O)CNc1c(cccc1Br)O 34a_100011934926_100011218378 [1,1,0,0,0,0|2,0,0]=4 11207 B14R1.19598 CCC(O)CNc1c(cccc1C)C 34a_100000185769_100011218378 [1,1,0,0,0,0|2,0,0]=4 11208 B14R1.19598 CCC(O)CNc1c(cccc1Cl)C 34a_100000756524_100011218378 [1,1,0,0,0,0|2,0,0]=4 11209 B14R1.19598 CCC(O)CNc1c(cccc1Cl)O 34a_100012022510_100011218378 [1,1,0,0,0,0|2,0,0]=4 11210 B14R1.19598 CCC(O)CNc1c(cccc1F)C 34a_100000766463_100011218378 [1,1,0,0,0,0|2,0,0]=4 11211 B14R1.19598 CCC(O)CNc1c(cccc1F)O 34a_100020591140_100011218378 [1,1,0,0,0,0|2,0,0]=4 11212 B14R1.19598 CCC(O)CNc1c(cccc1O)C 34a_100000743429_100011218378 [1,1,0,0,0,0|2,0,0]=4 11213 B14R1.19598 CCC(O)COc1c(cccc1Br)Br 34a_100000736428_100011218378 [1,1,0,0,0,0|2,0,0]=4 11214 B14R1.19598 CCC(O)COc1c(cccc1Br)Br 7a_100000736428_100011218378 [1,1,0,0,0,0|2,0,0]=4 11215 B14R1.19598 CCC(O)COc1c(cccc1Br)C 34a_100009817157_100011218378 [1,1,0,0,0,0|1,0,0]=3 11216 B14R1.19598 CCC(O)COc1c(cccc1Br)C 7a_100009817157_100011218378 [1,1,0,0,0,0|1,0,0]=3 11217 B14R1.19598 CCC(O)COc1c(cccc1Br)Cl 34a_100010214474_100011218378 [1,1,0,0,0,0|2,0,0]=4 11218 B14R1.19598 CCC(O)COc1c(cccc1Br)Cl 7a_100010214474_100011218378 [1,1,0,0,0,0|2,0,0]=4 11219 B14R1.19598 CCC(O)COc1c(cccc1Br)F 34a_100009813666_100011218378 [1,1,0,0,0,0|2,0,0]=4 11220 B14R1.19598 CCC(O)COc1c(cccc1Br)F 7a_100009813666_100011218378 [1,1,0,0,0,0|2,0,0]=4 11221 B14R1.19598 CCC(O)COc1c(cccc1Br)N 34a_100011934915_100011218378 [1,1,0,0,0,0|2,0,0]=4 11222 B14R1.19598 CCC(O)COc1c(cccc1C)C 34a_100000210341_100011218378 [1,1,0,0,0,0|1,0,0]=3 11223 B14R1.19598 CCC(O)COc1c(cccc1C)C 7a_100000210341_100011218378 [1,1,0,0,0,0|1,0,0]=3 11224 B14R1.19598 CCC(O)COc1c(cccc1Cl)C 34a_100000033731_100011218378 [1,1,0,0,0,0|1,0,0]=3 11225 B14R1.19598 CCC(O)COc1c(cccc1Cl)C 7a_100000033731_100011218378 [1,1,0,0,0,0|1,0,0]=3 11226 B14R1.19598 CCC(O)COc1c(cccc1Cl)Cl 34a_100000211709_100011218378 [1,1,0,0,0,0|2,0,0]=4 11227 B14R1.19598 CCC(O)COc1c(cccc1Cl)Cl 7a_100000211709_100011218378 [1,1,0,0,0,0|2,0,0]=4 11228 B14R1.19598 CCC(O)COc1c(cccc1Cl)F 34a_100000694953_100011218378 [1,1,0,0,0,0|2,0,0]=4 11229 B14R1.19598 CCC(O)COc1c(cccc1Cl)F 7a_100000694953_100011218378 [1,1,0,0,0,0|2,0,0]=4 11230 B14R1.19598 CCC(O)COc1c(cccc1Cl)N 34a_100000754742_100011218378 [1,1,0,0,0,0|2,0,0]=4 11231 B14R1.19598 CCC(O)COc1c(cccc1F)C 34a_100011659162_100011218378 [1,1,0,0,0,0|1,0,0]=3 11232 B14R1.19598 CCC(O)COc1c(cccc1F)C 7a_100011659162_100011218378 [1,1,0,0,0,0|1,0,0]=3 11233 B14R1.19598 CCC(O)COc1c(cccc1F)F 34a_100000230165_100011218378 [1,1,0,0,0,0|2,0,0]=4 11234 B14R1.19598 CCC(O)COc1c(cccc1F)F 7a_100000230165_100011218378 [1,1,0,0,0,0|2,0,0]=4 11235 B14R1.19598 CCC(O)COc1c(cccc1F)N 34a_100011934987_100011218378 [1,1,0,0,0,0|2,0,0]=4 11236 B14R1.19598 CCC(O)COc1c(cccc1I)Br 34a_100010084509_100011218378 [1,1,0,0,0,0|2,0,0]=4 11237 B14R1.19598 CCC(O)COc1c(cccc1I)Br 7a_100010084509_100011218378 [1,1,0,0,0,0|2,0,0]=4 11238 B14R1.19598 CCC(O)COc1c(cccc1I)Cl 34a_100010202889_100011218378 [1,1,0,0,0,0|2,0,0]=4 11239 B14R1.19598 CCC(O)COc1c(cccc1I)Cl 7a_100010202889_100011218378 [1,1,0,0,0,0|2,0,0]=4 11240 B14R1.19598 CCC(O)COc1c(cccc1I)F 34a_100010186298_100011218378 [1,1,0,0,0,0|2,0,0]=4 11241 B14R1.19598 CCC(O)COc1c(cccc1I)F 7a_100010186298_100011218378 [1,1,0,0,0,0|2,0,0]=4 11242 B14R1.19598 CCC(O)COc1c(cccc1I)N 34a_100010084371_100011218378 [1,1,0,0,0,0|2,0,0]=4 11243 B14R1.19598 CCC(O)COc1c(cccc1N)C 34a_100000756359_100011218378 [1,1,0,0,0,0|1,0,0]=3 11244 B14R1.19598 CCC(O)COc1c(cccc1N)C 7a_100000756359_100011218378 [1,1,0,0,0,0|1,0,0]=3 11245 B14R1.19598 CCC(O)COc1c(cccc1N)N 34a_200016994477_100011218378 [1,1,0,0,0,0|2,0,0]=4 11246 B14R1.19598 CCC(O)COc1c(ccnc1C)C 34a_100011934651_100011218378 [1,1,0,0,0,0|2,0,0]=4 11247 B14R1.19598 CCC(O)COc1c(ccnc1C)C 7a_100011934651_100011218378 [1,1,0,0,0,0|2,0,0]=4 11248 B14R1.19598 CCC(O)COc1c(ccnc1Cl)C 34a_100000696282_100011218378 [1,1,0,0,0,0|2,0,0]=4 11249 B14R1.19598 CCC(O)COc1c(ccnc1Cl)C 7a_100000696282_100011218378 [1,1,0,0,0,0|2,0,0]=4 11250 B14R1.19598 CCC(O)COc1c(occc1=O)C 34a_100000031901_100011218378 [1,1,0,0,0,0|2,0,0]=4 11251 B14R1.19598 CCC(O)CSc1c(cccc1Br)C 62a_100010141302_100011218378 [1,1,0,0,0,0|1,1,0]=4 11252 B14R1.19598 CCC(O)CSc1c(cccc1Br)C 62a_100011218378_100010141302 [1,1,0,0,0,0|1,1,0]=4 11253 B14R1.19598 CCC(O)CSc1c(cccc1Br)O 62a_100010187912_100011218378 [1,1,0,0,0,0|1,1,0]=4 11254 B14R1.19598 CCC(O)CSc1c(cccc1Br)O 62a_100011218378_100010187912 [1,1,0,0,0,0|1,1,0]=4 11255 B14R1.19598 CCC(O)CSc1c(cccc1C)C 62a_100000033847_100011218378 [1,1,0,0,0,0|1,1,0]=4 11256 B14R1.19598 CCC(O)CSc1c(cccc1C)C 62a_100011218378_100000033847 [1,1,0,0,0,0|1,1,0]=4 11257 B14R1.19598 CCC(O)CSc1c(cccc1Cl)C 62a_100000043165_100011218378 [1,1,0,0,0,0|1,1,0]=4 11258 B14R1.19598 CCC(O)CSc1c(cccc1Cl)C 62a_100011218378_100000043165 [1,1,0,0,0,0|1,1,0]=4 11259 B14R1.19598 CCC(O)CSc1c(cccc1Cl)O 62a_100011218378_100000050174 [1,1,0,0,0,0|1,1,0]=4 11260 B14R1.19598 CCC(O)CSc1c(cccc1F)C 62a_100011218378_100011218421 [1,1,0,0,0,0|1,1,0]=4 11261 B14R1.19598 CCC(O)CSc1c(cccc1F)C 62a_100011218421_100011218378 [1,1,0,0,0,0|1,1,0]=4 11262 B14R1.19598 CCC(O)CSc1c(cccc1F)O 62a_100009820682_100011218378 [1,1,0,0,0,0|1,1,0]=4 11263 B14R1.19598 CCC(O)CSc1c(cccc1F)O 62a_100011218378_100009820682 [1,1,0,0,0,0|1,1,0]=4 11264 B14R1.19598 CCC(O)CSc1c(cccc1N)C 62a_100000684715_100011218378 [1,1,0,0,0,0|1,1,0]=4 11265 B14R1.19598 CCC(O)CSc1c(cccc1N)C 62a_100011218378_100000684715 [1,1,0,0,0,0|1,1,0]=4 11266 B14R1.19598 CCC(O)CSc1c(cccc1O)C 62a_100000686692_100011218378 [1,1,0,0,0,0|1,1,0]=4 11267 B14R1.19598 CCC(O)CSc1c(cccc1O)C 62a_100011218378_100000686692 [1,1,0,0,0,0|1,1,0]=4 11268 B14R1.19598 CCC(O)CSc1c(cccc1O)N 62a_100011218378_100012183704 [1,1,0,0,0,0|1,1,0]=4 11269 B14R1.19598 CCC(O)CSc1c(cccc1O)N 62a_100012183704_100011218378 [1,1,0,0,0,0|1,1,0]=4 11270 B14R1.19598 CCC(O)CSc1c(cccc1O)O 62a_100011218378_100010205330 [1,1,0,0,0,0|1,1,0]=4 11271 B14R1.19598 CC[C@H](C)COc1c(cccc1Br)C 34a_100009817157_100009816398 [1,1,0,0,0,0|2,0,0]=4 11272 B14R1.19598 CC[C@H](C)COc1c(cccc1Br)C 7a_100009817157_100009816398 [1,1,0,0,0,0|2,0,0]=4 11273 B14R1.19598 CC[C@H](C)COc1c(cccc1C)C 34a_100000210341_100009816398 [1,1,0,0,0,0|2,0,0]=4 11274 B14R1.19598 CC[C@H](C)COc1c(cccc1C)C 7a_100000210341_100009816398 [1,1,0,0,0,0|2,0,0]=4 11275 B14R1.19598 CC[C@H](C)COc1c(cccc1Cl)C 34a_100000033731_100009816398 [1,1,0,0,0,0|2,0,0]=4 11276 B14R1.19598 CC[C@H](C)COc1c(cccc1Cl)C 7a_100000033731_100009816398 [1,1,0,0,0,0|2,0,0]=4 11277 B14R1.19598 CC[C@H](C)COc1c(cccc1F)C 34a_100011659162_100009816398 [1,1,0,0,0,0|2,0,0]=4 11278 B14R1.19598 CC[C@H](C)COc1c(cccc1F)C 7a_100011659162_100009816398 [1,1,0,0,0,0|2,0,0]=4 11279 B14R1.19598 CC[C@H](C)COc1c(cccc1N)C 34a_100000756359_100009816398 [1,1,0,0,0,0|2,0,0]=4 11280 B14R1.19598 CC[C@H](C)COc1c(cccc1N)C 7a_100000756359_100009816398 [1,1,0,0,0,0|2,0,0]=4 11281 B14R1.19598 C[C@@H](CO)CNc1c(cccc1Br)O 34a_100011934926_100000059175 [1,1,0,0,0,0|2,0,0]=4 11282 B14R1.19598 C[C@@H](CO)CNc1c(cccc1Cl)O 34a_100012022510_100000059175 [1,1,0,0,0,0|2,0,0]=4 11283 B14R1.19598 C[C@@H](CO)CNc1c(cccc1F)O 34a_100020591140_100000059175 [1,1,0,0,0,0|2,0,0]=4 11284 B14R1.19598 C[C@@H](CO)COc1c(cccc1Br)Br 34a_100000736428_100000059175 [1,1,0,0,0,0|2,0,0]=4 11285 B14R1.19598 C[C@@H](CO)COc1c(cccc1Br)Br 7a_100000736428_100000059175 [1,1,0,0,0,0|2,0,0]=4 11286 B14R1.19598 C[C@@H](CO)COc1c(cccc1Br)Cl 34a_100010214474_100000059175 [1,1,0,0,0,0|2,0,0]=4 11287 B14R1.19598 C[C@@H](CO)COc1c(cccc1Br)Cl 7a_100010214474_100000059175 [1,1,0,0,0,0|2,0,0]=4 11288 B14R1.19598 C[C@@H](CO)COc1c(cccc1Br)F 34a_100009813666_100000059175 [1,1,0,0,0,0|2,0,0]=4 11289 B14R1.19598 C[C@@H](CO)COc1c(cccc1Br)F 7a_100009813666_100000059175 [1,1,0,0,0,0|2,0,0]=4 11290 B14R1.19598 C[C@@H](CO)COc1c(cccc1Br)N 34a_100011934915_100000059175 [1,1,0,0,0,0|2,0,0]=4 11291 B14R1.19598 C[C@@H](CO)COc1c(cccc1Cl)Cl 34a_100000211709_100000059175 [1,1,0,0,0,0|2,0,0]=4 11292 B14R1.19598 C[C@@H](CO)COc1c(cccc1Cl)Cl 7a_100000211709_100000059175 [1,1,0,0,0,0|2,0,0]=4 11293 B14R1.19598 C[C@@H](CO)COc1c(cccc1Cl)F 34a_100000694953_100000059175 [1,1,0,0,0,0|2,0,0]=4 11294 B14R1.19598 C[C@@H](CO)COc1c(cccc1Cl)F 7a_100000694953_100000059175 [1,1,0,0,0,0|2,0,0]=4 11295 B14R1.19598 C[C@@H](CO)COc1c(cccc1Cl)N 34a_100000754742_100000059175 [1,1,0,0,0,0|2,0,0]=4 11296 B14R1.19598 C[C@@H](CO)COc1c(cccc1F)F 34a_100000230165_100000059175 [1,1,0,0,0,0|2,0,0]=4 11297 B14R1.19598 C[C@@H](CO)COc1c(cccc1F)F 7a_100000230165_100000059175 [1,1,0,0,0,0|2,0,0]=4 11298 B14R1.19598 C[C@@H](CO)COc1c(cccc1F)N 34a_100011934987_100000059175 [1,1,0,0,0,0|2,0,0]=4 11299 B14R1.19598 C[C@@H](CO)COc1c(cccc1I)Br 34a_100010084509_100000059175 [1,1,0,0,0,0|2,0,0]=4 11300 B14R1.19598 C[C@@H](CO)COc1c(cccc1I)Br 7a_100010084509_100000059175 [1,1,0,0,0,0|2,0,0]=4 11301 B14R1.19598 C[C@@H](CO)COc1c(cccc1I)Cl 34a_100010202889_100000059175 [1,1,0,0,0,0|2,0,0]=4 11302 B14R1.19598 C[C@@H](CO)COc1c(cccc1I)Cl 7a_100010202889_100000059175 [1,1,0,0,0,0|2,0,0]=4 11303 B14R1.19598 C[C@@H](CO)COc1c(cccc1I)F 34a_100010186298_100000059175 [1,1,0,0,0,0|2,0,0]=4 11304 B14R1.19598 C[C@@H](CO)COc1c(cccc1I)F 7a_100010186298_100000059175 [1,1,0,0,0,0|2,0,0]=4 11305 B14R1.19598 C[C@@H](CO)COc1c(cccc1I)N 34a_100010084371_100000059175 [1,1,0,0,0,0|2,0,0]=4 11306 B14R1.19598 C[C@@H](CO)COc1c(cccc1N)N 34a_200016994477_100000059175 [1,1,0,0,0,0|2,0,0]=4 11307 B14R1.19598 C[C@@H](CO)CSc1c(cccc1Br)O 62a_100000059175_100010187912 [1,1,0,0,0,0|1,1,0]=4 11308 B14R1.19598 C[C@@H](CO)CSc1c(cccc1Br)O 62a_100010187912_100000059175 [1,1,0,0,0,0|1,1,0]=4 11309 B14R1.19598 C[C@@H](CO)CSc1c(cccc1Cl)O 62a_100000059175_100000050174 [1,1,0,0,0,0|1,1,0]=4 11310 B14R1.19598 C[C@@H](CO)CSc1c(cccc1F)O 62a_100000059175_100009820682 [1,1,0,0,0,0|1,1,0]=4 11311 B14R1.19598 C[C@@H](CO)CSc1c(cccc1F)O 62a_100009820682_100000059175 [1,1,0,0,0,0|1,1,0]=4 11312 B14R1.19598 C[C@@H](CO)CSc1c(cccc1O)N 62a_100000059175_100012183704 [1,1,0,0,0,0|1,1,0]=4 11313 B14R1.19598 C[C@@H](CO)CSc1c(cccc1O)N 62a_100012183704_100000059175 [1,1,0,0,0,0|1,1,0]=4 11314 B14R1.19598 C[C@@H](CO)CSc1c(cccc1O)O 62a_100000059175_100010205330 [1,1,0,0,0,0|1,1,0]=4 11315 B14R1.19598 Cc1ccc[n+](c1SCC(O)CO)[O-] 62a_100011219619_100116209805 [1,1,0,0,0,0|1,1,0]=4 11316 B14R1.19598 Cc1ccc[n+](c1SC[C@@H](O)CO)[O-] 62a_100009815848_100116209805 [1,1,0,0,0,0|1,1,0]=4 11317 B14R1.19598 Cc1cccc(c1NCC(O)CO)Br 34a_100011834072_100011219619 [1,1,0,0,0,0|1,0,0]=3 11318 B14R1.19598 Cc1cccc(c1NCC(O)CO)C 34a_100000185769_100011219619 [1,1,0,0,0,0|1,0,0]=3 11319 B14R1.19598 Cc1cccc(c1NCC(O)CO)Cl 34a_100000756524_100011219619 [1,1,0,0,0,0|1,0,0]=3 11320 B14R1.19598 Cc1cccc(c1NCC(O)CO)F 34a_100000766463_100011219619 [1,1,0,0,0,0|1,0,0]=3 11321 B14R1.19598 Cc1cccc(c1NCC(O)CO)O 34a_100000743429_100011219619 [1,1,0,0,0,0|1,0,0]=3 11322 B14R1.19598 Cc1cccc(c1NC[C@@H](C)CO)Br 34a_100011834072_100000059175 [1,1,0,0,0,0|2,0,0]=4 11323 B14R1.19598 Cc1cccc(c1NC[C@@H](C)CO)C 34a_100000185769_100000059175 [1,1,0,0,0,0|2,0,0]=4 11324 B14R1.19598 Cc1cccc(c1NC[C@@H](C)CO)Cl 34a_100000756524_100000059175 [1,1,0,0,0,0|2,0,0]=4 11325 B14R1.19598 Cc1cccc(c1NC[C@@H](C)CO)F 34a_100000766463_100000059175 [1,1,0,0,0,0|2,0,0]=4 11326 B14R1.19598 Cc1cccc(c1NC[C@@H](C)CO)O 34a_100000743429_100000059175 [1,1,0,0,0,0|2,0,0]=4 11327 B14R1.19598 Cc1cccc(c1NC[C@@H](O)CF)Br 34a_100011834072_100015614560 [1,1,0,0,0,0|2,0,0]=4 11328 B14R1.19598 Cc1cccc(c1NC[C@@H](O)CF)C 34a_100000185769_100015614560 [1,1,0,0,0,0|2,0,0]=4 11329 B14R1.19598 Cc1cccc(c1NC[C@@H](O)CF)Cl 34a_100000756524_100015614560 [1,1,0,0,0,0|2,0,0]=4 11330 B14R1.19598 Cc1cccc(c1NC[C@@H](O)CF)F 34a_100000766463_100015614560 [1,1,0,0,0,0|2,0,0]=4 11331 B14R1.19598 Cc1cccc(c1NC[C@@H](O)CF)O 34a_100000743429_100015614560 [1,1,0,0,0,0|2,0,0]=4 11332 B14R1.19598 Cc1cccc(c1NC[C@@H](O)CO)Br 34a_100011834072_100009815848 [1,1,0,0,0,0|1,0,0]=3 11333 B14R1.19598 Cc1cccc(c1NC[C@@H](O)CO)C 34a_100000185769_100009815848 [1,1,0,0,0,0|1,0,0]=3 11334 B14R1.19598 Cc1cccc(c1NC[C@@H](O)CO)Cl 34a_100000756524_100009815848 [1,1,0,0,0,0|1,0,0]=3 11335 B14R1.19598 Cc1cccc(c1NC[C@@H](O)CO)F 34a_100000766463_100009815848 [1,1,0,0,0,0|1,0,0]=3 11336 B14R1.19598 Cc1cccc(c1NC[C@@H](O)CO)O 34a_100000743429_100009815848 [1,1,0,0,0,0|1,0,0]=3 11337 B14R1.19598 Cc1cccc(c1OCC(O)CO)Br 34a_100009817157_100011219619 [1,1,0,0,0,0|0,0,0]=2 11338 B14R1.19598 Cc1cccc(c1OCC(O)CO)Br 7a_100009817157_100011219619 [1,1,0,0,0,0|0,0,0]=2 11339 B14R1.19598 Cc1cccc(c1OCC(O)CO)C 34a_100000210341_100011219619 [1,1,0,0,0,0|0,0,0]=2 11340 B14R1.19598 Cc1cccc(c1OCC(O)CO)C 7a_100000210341_100011219619 [1,1,0,0,0,0|0,0,0]=2 11341 B14R1.19598 Cc1cccc(c1OCC(O)CO)Cl 34a_100000033731_100011219619 [1,1,0,0,0,0|0,0,0]=2 11342 B14R1.19598 Cc1cccc(c1OCC(O)CO)Cl 7a_100000033731_100011219619 [1,1,0,0,0,0|0,0,0]=2 11343 B14R1.19598 Cc1cccc(c1OCC(O)CO)F 34a_100011659162_100011219619 [1,1,0,0,0,0|0,0,0]=2 11344 B14R1.19598 Cc1cccc(c1OCC(O)CO)F 7a_100011659162_100011219619 [1,1,0,0,0,0|0,0,0]=2 11345 B14R1.19598 Cc1cccc(c1OCC(O)CO)N 34a_100000756359_100011219619 [1,1,0,0,0,0|0,0,0]=2 11346 B14R1.19598 Cc1cccc(c1OCC(O)CO)N 7a_100000756359_100011219619 [1,1,0,0,0,0|0,0,0]=2 11347 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)Br 34a_100009817157_100000059175 [1,1,0,0,0,0|1,0,0]=3 11348 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)Br 7a_100009817157_100000059175 [1,1,0,0,0,0|1,0,0]=3 11349 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)C 34a_100000210341_100000059175 [1,1,0,0,0,0|1,0,0]=3 11350 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)C 7a_100000210341_100000059175 [1,1,0,0,0,0|1,0,0]=3 11351 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)Cl 34a_100000033731_100000059175 [1,1,0,0,0,0|1,0,0]=3 11352 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)Cl 7a_100000033731_100000059175 [1,1,0,0,0,0|1,0,0]=3 11353 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)F 34a_100011659162_100000059175 [1,1,0,0,0,0|1,0,0]=3 11354 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)F 7a_100011659162_100000059175 [1,1,0,0,0,0|1,0,0]=3 11355 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)N 34a_100000756359_100000059175 [1,1,0,0,0,0|1,0,0]=3 11356 B14R1.19598 Cc1cccc(c1OC[C@@H](C)CO)N 7a_100000756359_100000059175 [1,1,0,0,0,0|1,0,0]=3 11357 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)Br 34a_100009817157_100015614560 [1,1,0,0,0,0|1,0,0]=3 11358 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)Br 7a_100009817157_100015614560 [1,1,0,0,0,0|1,0,0]=3 11359 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)C 34a_100000210341_100015614560 [1,1,0,0,0,0|1,0,0]=3 11360 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)C 7a_100000210341_100015614560 [1,1,0,0,0,0|1,0,0]=3 11361 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)Cl 34a_100000033731_100015614560 [1,1,0,0,0,0|1,0,0]=3 11362 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)Cl 7a_100000033731_100015614560 [1,1,0,0,0,0|1,0,0]=3 11363 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)F 34a_100011659162_100015614560 [1,1,0,0,0,0|1,0,0]=3 11364 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)F 7a_100011659162_100015614560 [1,1,0,0,0,0|1,0,0]=3 11365 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)N 34a_100000756359_100015614560 [1,1,0,0,0,0|1,0,0]=3 11366 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CF)N 7a_100000756359_100015614560 [1,1,0,0,0,0|1,0,0]=3 11367 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)Br 34a_100009817157_100009815848 [1,1,0,0,0,0|0,0,0]=2 11368 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)Br 7a_100009817157_100009815848 [1,1,0,0,0,0|0,0,0]=2 11369 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)C 34a_100000210341_100009815848 [1,1,0,0,0,0|0,0,0]=2 11370 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)C 7a_100000210341_100009815848 [1,1,0,0,0,0|0,0,0]=2 11371 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)Cl 34a_100000033731_100009815848 [1,1,0,0,0,0|0,0,0]=2 11372 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)Cl 7a_100000033731_100009815848 [1,1,0,0,0,0|0,0,0]=2 11373 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)F 34a_100011659162_100009815848 [1,1,0,0,0,0|0,0,0]=2 11374 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)F 7a_100011659162_100009815848 [1,1,0,0,0,0|0,0,0]=2 11375 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)N 34a_100000756359_100009815848 [1,1,0,0,0,0|0,0,0]=2 11376 B14R1.19598 Cc1cccc(c1OC[C@@H](O)CO)N 7a_100000756359_100009815848 [1,1,0,0,0,0|0,0,0]=2 11377 B14R1.19598 Cc1cccc(c1SCC(O)CO)Br 62a_100010141302_100011219619 [1,1,0,0,0,0|0,1,0]=3 11378 B14R1.19598 Cc1cccc(c1SCC(O)CO)Br 62a_100011219619_100010141302 [1,1,0,0,0,0|0,1,0]=3 11379 B14R1.19598 Cc1cccc(c1SCC(O)CO)C 62a_100000033847_100011219619 [1,1,0,0,0,0|0,1,0]=3 11380 B14R1.19598 Cc1cccc(c1SCC(O)CO)C 62a_100011219619_100000033847 [1,1,0,0,0,0|0,1,0]=3 11381 B14R1.19598 Cc1cccc(c1SCC(O)CO)Cl 62a_100000043165_100011219619 [1,1,0,0,0,0|0,1,0]=3 11382 B14R1.19598 Cc1cccc(c1SCC(O)CO)Cl 62a_100011219619_100000043165 [1,1,0,0,0,0|0,1,0]=3 11383 B14R1.19598 Cc1cccc(c1SCC(O)CO)F 62a_100011218421_100011219619 [1,1,0,0,0,0|0,1,0]=3 11384 B14R1.19598 Cc1cccc(c1SCC(O)CO)F 62a_100011219619_100011218421 [1,1,0,0,0,0|0,1,0]=3 11385 B14R1.19598 Cc1cccc(c1SCC(O)CO)N 62a_100000684715_100011219619 [1,1,0,0,0,0|0,1,0]=3 11386 B14R1.19598 Cc1cccc(c1SCC(O)CO)N 62a_100011219619_100000684715 [1,1,0,0,0,0|0,1,0]=3 11387 B14R1.19598 Cc1cccc(c1SCC(O)CO)O 62a_100000686692_100011219619 [1,1,0,0,0,0|0,1,0]=3 11388 B14R1.19598 Cc1cccc(c1SCC(O)CO)O 62a_100011219619_100000686692 [1,1,0,0,0,0|0,1,0]=3 11389 B14R1.19598 Cc1cccc(c1SC[C@@H](C)CO)Br 62a_100000059175_100010141302 [1,1,0,0,0,0|1,1,0]=4 11390 B14R1.19598 Cc1cccc(c1SC[C@@H](C)CO)Br 62a_100010141302_100000059175 [1,1,0,0,0,0|1,1,0]=4 11391 B14R1.19598 Cc1cccc(c1SC[C@@H](C)CO)C 62a_100000033847_100000059175 [1,1,0,0,0,0|1,1,0]=4 11392 B14R1.19598 Cc1cccc(c1SC[C@@H](C)CO)C 62a_100000059175_100000033847 [1,1,0,0,0,0|1,1,0]=4 11393 B14R1.19598 Cc1cccc(c1SC[C@@H](C)CO)Cl 62a_100000043165_100000059175 [1,1,0,0,0,0|1,1,0]=4 11394 B14R1.19598 Cc1cccc(c1SC[C@@H](C)CO)Cl 62a_100000059175_100000043165 [1,1,0,0,0,0|1,1,0]=4 11395 B14R1.19598 Cc1cccc(c1SC[C@@H](C)CO)F 62a_100000059175_100011218421 [1,1,0,0,0,0|1,1,0]=4 11396 B14R1.19598 Cc1cccc(c1SC[C@@H](C)CO)F 62a_100011218421_100000059175 [1,1,0,0,0,0|1,1,0]=4 11397 B14R1.19598 Cc1cccc(c1SC[C@@H](C)CO)N 62a_100000059175_100000684715 [1,1,0,0,0,0|1,1,0]=4 11398 B14R1.19598 Cc1cccc(c1SC[C@@H](C)CO)N 62a_100000684715_100000059175 [1,1,0,0,0,0|1,1,0]=4 11399 B14R1.19598 Cc1cccc(c1SC[C@@H](C)CO)O 62a_100000059175_100000686692 [1,1,0,0,0,0|1,1,0]=4 11400 B14R1.19598 Cc1cccc(c1SC[C@@H](C)CO)O 62a_100000686692_100000059175 [1,1,0,0,0,0|1,1,0]=4 11401 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CF)Br 62a_100010141302_100015614560 [1,1,0,0,0,0|1,1,0]=4 11402 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CF)Br 62a_100015614560_100010141302 [1,1,0,0,0,0|1,1,0]=4 11403 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CF)C 62a_100000033847_100015614560 [1,1,0,0,0,0|1,1,0]=4 11404 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CF)C 62a_100015614560_100000033847 [1,1,0,0,0,0|1,1,0]=4 11405 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CF)Cl 62a_100000043165_100015614560 [1,1,0,0,0,0|1,1,0]=4 11406 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CF)Cl 62a_100015614560_100000043165 [1,1,0,0,0,0|1,1,0]=4 11407 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CF)F 62a_100011218421_100015614560 [1,1,0,0,0,0|1,1,0]=4 11408 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CF)F 62a_100015614560_100011218421 [1,1,0,0,0,0|1,1,0]=4 11409 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CF)N 62a_100000684715_100015614560 [1,1,0,0,0,0|1,1,0]=4 11410 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CF)N 62a_100015614560_100000684715 [1,1,0,0,0,0|1,1,0]=4 11411 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CF)O 62a_100000686692_100015614560 [1,1,0,0,0,0|1,1,0]=4 11412 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CF)O 62a_100015614560_100000686692 [1,1,0,0,0,0|1,1,0]=4 11413 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CO)Br 62a_100009815848_100010141302 [1,1,0,0,0,0|0,1,0]=3 11414 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CO)Br 62a_100010141302_100009815848 [1,1,0,0,0,0|0,1,0]=3 11415 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CO)C 62a_100000033847_100009815848 [1,1,0,0,0,0|0,1,0]=3 11416 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CO)C 62a_100009815848_100000033847 [1,1,0,0,0,0|0,1,0]=3 11417 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CO)Cl 62a_100000043165_100009815848 [1,1,0,0,0,0|0,1,0]=3 11418 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CO)Cl 62a_100009815848_100000043165 [1,1,0,0,0,0|0,1,0]=3 11419 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CO)F 62a_100009815848_100011218421 [1,1,0,0,0,0|0,1,0]=3 11420 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CO)F 62a_100011218421_100009815848 [1,1,0,0,0,0|0,1,0]=3 11421 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CO)N 62a_100000684715_100009815848 [1,1,0,0,0,0|0,1,0]=3 11422 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CO)N 62a_100009815848_100000684715 [1,1,0,0,0,0|0,1,0]=3 11423 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CO)O 62a_100000686692_100009815848 [1,1,0,0,0,0|0,1,0]=3 11424 B14R1.19598 Cc1cccc(c1SC[C@@H](O)CO)O 62a_100009815848_100000686692 [1,1,0,0,0,0|0,1,0]=3 11425 B14R1.19598 Cc1ccnc(c1NC[C@H](O)CO)F 27a_100020644852_100009818256 [1,1,0,0,0,0|2,0,0]=4 11426 B14R1.19598 Cc1ccnc(c1OCC(O)CO)C 34a_100011934651_100011219619 [1,1,0,0,0,0|1,0,0]=3 11427 B14R1.19598 Cc1ccnc(c1OCC(O)CO)C 7a_100011934651_100011219619 [1,1,0,0,0,0|1,0,0]=3 11428 B14R1.19598 Cc1ccnc(c1OCC(O)CO)Cl 34a_100000696282_100011219619 [1,1,0,0,0,0|1,0,0]=3 11429 B14R1.19598 Cc1ccnc(c1OCC(O)CO)Cl 7a_100000696282_100011219619 [1,1,0,0,0,0|1,0,0]=3 11430 B14R1.19598 Cc1ccnc(c1OC[C@@H](C)CO)C 34a_100011934651_100000059175 [1,1,0,0,0,0|2,0,0]=4 11431 B14R1.19598 Cc1ccnc(c1OC[C@@H](C)CO)C 7a_100011934651_100000059175 [1,1,0,0,0,0|2,0,0]=4 11432 B14R1.19598 Cc1ccnc(c1OC[C@@H](C)CO)Cl 34a_100000696282_100000059175 [1,1,0,0,0,0|2,0,0]=4 11433 B14R1.19598 Cc1ccnc(c1OC[C@@H](C)CO)Cl 7a_100000696282_100000059175 [1,1,0,0,0,0|2,0,0]=4 11434 B14R1.19598 Cc1ccnc(c1OC[C@@H](O)CF)C 34a_100011934651_100015614560 [1,1,0,0,0,0|2,0,0]=4 11435 B14R1.19598 Cc1ccnc(c1OC[C@@H](O)CF)C 7a_100011934651_100015614560 [1,1,0,0,0,0|2,0,0]=4 11436 B14R1.19598 Cc1ccnc(c1OC[C@@H](O)CF)Cl 34a_100000696282_100015614560 [1,1,0,0,0,0|2,0,0]=4 11437 B14R1.19598 Cc1ccnc(c1OC[C@@H](O)CF)Cl 7a_100000696282_100015614560 [1,1,0,0,0,0|2,0,0]=4 11438 B14R1.19598 Cc1ccnc(c1OC[C@@H](O)CO)C 34a_100011934651_100009815848 [1,1,0,0,0,0|1,0,0]=3 11439 B14R1.19598 Cc1ccnc(c1OC[C@@H](O)CO)C 7a_100011934651_100009815848 [1,1,0,0,0,0|1,0,0]=3 11440 B14R1.19598 Cc1ccnc(c1OC[C@@H](O)CO)Cl 34a_100000696282_100009815848 [1,1,0,0,0,0|1,0,0]=3 11441 B14R1.19598 Cc1ccnc(c1OC[C@@H](O)CO)Cl 7a_100000696282_100009815848 [1,1,0,0,0,0|1,0,0]=3 11442 B14R1.19598 Cc1ccnc(c1SCC(O)CO)C 62a_100011219619_100012000501 [1,1,0,0,0,0|1,1,0]=4 11443 B14R1.19598 Cc1ccnc(c1SCC(O)CO)C 62a_100012000501_100011219619 [1,1,0,0,0,0|1,1,0]=4 11444 B14R1.19598 Cc1ccnc(c1SCC(O)CO)Cl 62a_100010248874_100011219619 [1,1,0,0,0,0|1,1,0]=4 11445 B14R1.19598 Cc1ccnc(c1SCC(O)CO)Cl 62a_100011219619_100010248874 [1,1,0,0,0,0|1,1,0]=4 11446 B14R1.19598 Cc1ccnc(c1SCC(O)CO)F 62a_100009818256_100011219619 [1,1,0,0,0,0|1,1,0]=4 11447 B14R1.19598 Cc1ccnc(c1SCC(O)CO)F 62a_100011219619_100009818256 [1,1,0,0,0,0|1,1,0]=4 11448 B14R1.19598 Cc1ccnc(c1SCC(O)CO)N 62a_100011219619_100011998619 [1,1,0,0,0,0|1,1,0]=4 11449 B14R1.19598 Cc1ccnc(c1SCC(O)CO)N 62a_100011998619_100011219619 [1,1,0,0,0,0|1,1,0]=4 11450 B14R1.19598 Cc1ccnc(c1SCC(O)CO)O 62a_100011219619_100012000493 [1,1,0,0,0,0|1,1,0]=4 11451 B14R1.19598 Cc1ccnc(c1SCC(O)CO)O 62a_100012000493_100011219619 [1,1,0,0,0,0|1,1,0]=4 11452 B14R1.19598 Cc1ccnc(c1SC[C@@H](O)CO)C 62a_100009815848_100012000501 [1,1,0,0,0,0|1,1,0]=4 11453 B14R1.19598 Cc1ccnc(c1SC[C@@H](O)CO)C 62a_100012000501_100009815848 [1,1,0,0,0,0|1,1,0]=4 11454 B14R1.19598 Cc1ccnc(c1SC[C@@H](O)CO)Cl 62a_100009815848_100010248874 [1,1,0,0,0,0|1,1,0]=4 11455 B14R1.19598 Cc1ccnc(c1SC[C@@H](O)CO)Cl 62a_100010248874_100009815848 [1,1,0,0,0,0|1,1,0]=4 11456 B14R1.19598 Cc1ccnc(c1SC[C@@H](O)CO)F 62a_100009815848_100009818256 [1,1,0,0,0,0|1,1,0]=4 11457 B14R1.19598 Cc1ccnc(c1SC[C@@H](O)CO)F 62a_100009818256_100009815848 [1,1,0,0,0,0|1,1,0]=4 11458 B14R1.19598 Cc1ccnc(c1SC[C@@H](O)CO)N 62a_100009815848_100011998619 [1,1,0,0,0,0|1,1,0]=4 11459 B14R1.19598 Cc1ccnc(c1SC[C@@H](O)CO)N 62a_100011998619_100009815848 [1,1,0,0,0,0|1,1,0]=4 11460 B14R1.19598 Cc1ccnc(c1SC[C@@H](O)CO)O 62a_100009815848_100012000493 [1,1,0,0,0,0|1,1,0]=4 11461 B14R1.19598 Cc1ccnc(c1SC[C@@H](O)CO)O 62a_100012000493_100009815848 [1,1,0,0,0,0|1,1,0]=4 11462 B14R1.19598 Cc1cncc(c1SCC(O)CO)C 62a_100009817138_100011219619 [1,1,0,0,0,0|1,1,0]=4 11463 B14R1.19598 Cc1cncc(c1SCC(O)CO)C 62a_100011219619_100009817138 [1,1,0,0,0,0|1,1,0]=4 11464 B14R1.19598 Cc1cncc(c1SC[C@@H](O)CO)C 62a_100009815848_100009817138 [1,1,0,0,0,0|1,1,0]=4 11465 B14R1.19598 Cc1cncc(c1SC[C@@H](O)CO)C 62a_100009817138_100009815848 [1,1,0,0,0,0|1,1,0]=4 11466 B14R1.19598 Cc1nccc(c1SCC(O)CO)N 62a_100010243816_100011219619 [1,1,0,0,0,0|1,1,0]=4 11467 B14R1.19598 Cc1nccc(c1SCC(O)CO)N 62a_100011219619_100010243816 [1,1,0,0,0,0|1,1,0]=4 11468 B14R1.19598 Cc1nccc(c1SC[C@@H](O)CO)N 62a_100009815848_100010243816 [1,1,0,0,0,0|1,1,0]=4 11469 B14R1.19598 Cc1nccc(c1SC[C@@H](O)CO)N 62a_100010243816_100009815848 [1,1,0,0,0,0|1,1,0]=4 11470 B14R1.19598 Cc1ncnc(c1OCC(O)CO)C 34a_100009878406_100011219619 [1,1,0,0,0,0|2,0,0]=4 11471 B14R1.19598 Cc1ncnc(c1OCC(O)CO)C 7a_100009878406_100011219619 [1,1,0,0,0,0|2,0,0]=4 11472 B14R1.19598 Cc1ncnc(c1OC[C@@H](O)CO)C 34a_100009878406_100009815848 [1,1,0,0,0,0|2,0,0]=4 11473 B14R1.19598 Cc1ncnc(c1OC[C@@H](O)CO)C 7a_100009878406_100009815848 [1,1,0,0,0,0|2,0,0]=4 11474 B14R1.19598 Cc1occc(=O)c1OCC(O)CO 34a_100000031901_100011219619 [1,1,0,0,0,0|1,0,0]=3 11475 B14R1.19598 Cc1occc(=O)c1OC[C@@H](C)CO 34a_100000031901_100000059175 [1,1,0,0,0,0|2,0,0]=4 11476 B14R1.19598 Cc1occc(=O)c1OC[C@@H](O)CF 34a_100000031901_100015614560 [1,1,0,0,0,0|2,0,0]=4 11477 B14R1.19598 Cc1occc(=O)c1OC[C@@H](O)CO 34a_100000031901_100009815848 [1,1,0,0,0,0|1,0,0]=3 11478 B14R1.19598 Nc1cccc(c1OCC(O)CO)Br 34a_100011934915_100011219619 [1,1,0,0,0,0|1,0,0]=3 11479 B14R1.19598 Nc1cccc(c1OCC(O)CO)Cl 34a_100000754742_100011219619 [1,1,0,0,0,0|1,0,0]=3 11480 B14R1.19598 Nc1cccc(c1OCC(O)CO)F 34a_100011934987_100011219619 [1,1,0,0,0,0|1,0,0]=3 11481 B14R1.19598 Nc1cccc(c1OCC(O)CO)I 34a_100010084371_100011219619 [1,1,0,0,0,0|1,0,0]=3 11482 B14R1.19598 Nc1cccc(c1OCC(O)CO)N 34a_200016994477_100011219619 [1,1,0,0,0,0|1,0,0]=3 11483 B14R1.19598 Nc1cccc(c1OC[C@@H](O)CF)Br 34a_100011934915_100015614560 [1,1,0,0,0,0|2,0,0]=4 11484 B14R1.19598 Nc1cccc(c1OC[C@@H](O)CF)Cl 34a_100000754742_100015614560 [1,1,0,0,0,0|2,0,0]=4 11485 B14R1.19598 Nc1cccc(c1OC[C@@H](O)CF)F 34a_100011934987_100015614560 [1,1,0,0,0,0|2,0,0]=4 11486 B14R1.19598 Nc1cccc(c1OC[C@@H](O)CF)I 34a_100010084371_100015614560 [1,1,0,0,0,0|2,0,0]=4 11487 B14R1.19598 Nc1cccc(c1OC[C@@H](O)CF)N 34a_200016994477_100015614560 [1,1,0,0,0,0|2,0,0]=4 11488 B14R1.19598 Nc1cccc(c1OC[C@@H](O)CO)Br 34a_100011934915_100009815848 [1,1,0,0,0,0|1,0,0]=3 11489 B14R1.19598 Nc1cccc(c1OC[C@@H](O)CO)Cl 34a_100000754742_100009815848 [1,1,0,0,0,0|1,0,0]=3 11490 B14R1.19598 Nc1cccc(c1OC[C@@H](O)CO)F 34a_100011934987_100009815848 [1,1,0,0,0,0|1,0,0]=3 11491 B14R1.19598 Nc1cccc(c1OC[C@@H](O)CO)I 34a_100010084371_100009815848 [1,1,0,0,0,0|1,0,0]=3 11492 B14R1.19598 Nc1cccc(c1OC[C@@H](O)CO)N 34a_200016994477_100009815848 [1,1,0,0,0,0|1,0,0]=3 11493 B14R1.19598 Nc1cccc(c1SCC(O)CO)Br 62a_100011219619_100020590159 [1,1,0,0,0,0|1,1,0]=4 11494 B14R1.19598 Nc1cccc(c1SCC(O)CO)Br 62a_100020590159_100011219619 [1,1,0,0,0,0|1,1,0]=4 11495 B14R1.19598 Nc1cccc(c1SCC(O)CO)Cl 62a_100000049713_100011219619 [1,1,0,0,0,0|1,1,0]=4 11496 B14R1.19598 Nc1cccc(c1SCC(O)CO)Cl 62a_100011219619_100000049713 [1,1,0,0,0,0|1,1,0]=4 11497 B14R1.19598 Nc1cccc(c1SCC(O)CO)F 62a_100000690935_100011219619 [1,1,0,0,0,0|1,1,0]=4 11498 B14R1.19598 Nc1cccc(c1SCC(O)CO)F 62a_100011219619_100000690935 [1,1,0,0,0,0|1,1,0]=4 11499 B14R1.19598 Nc1cccc(c1SCC(O)CO)O 62a_100011219619_100012183704 [1,1,0,0,0,0|0,1,0]=3 11500 B14R1.19598 Nc1cccc(c1SCC(O)CO)O 62a_100012183704_100011219619 [1,1,0,0,0,0|0,1,0]=3 11501 B14R1.19598 Nc1cccc(c1SC[C@@H](O)CF)O 62a_100012183704_100015614560 [1,1,0,0,0,0|1,1,0]=4 11502 B14R1.19598 Nc1cccc(c1SC[C@@H](O)CF)O 62a_100015614560_100012183704 [1,1,0,0,0,0|1,1,0]=4 11503 B14R1.19598 Nc1cccc(c1SC[C@@H](O)CO)Br 62a_100009815848_100020590159 [1,1,0,0,0,0|1,1,0]=4 11504 B14R1.19598 Nc1cccc(c1SC[C@@H](O)CO)Br 62a_100020590159_100009815848 [1,1,0,0,0,0|1,1,0]=4 11505 B14R1.19598 Nc1cccc(c1SC[C@@H](O)CO)Cl 62a_100000049713_100009815848 [1,1,0,0,0,0|1,1,0]=4 11506 B14R1.19598 Nc1cccc(c1SC[C@@H](O)CO)Cl 62a_100009815848_100000049713 [1,1,0,0,0,0|1,1,0]=4 11507 B14R1.19598 Nc1cccc(c1SC[C@@H](O)CO)F 62a_100000690935_100009815848 [1,1,0,0,0,0|1,1,0]=4 11508 B14R1.19598 Nc1cccc(c1SC[C@@H](O)CO)F 62a_100009815848_100000690935 [1,1,0,0,0,0|1,1,0]=4 11509 B14R1.19598 Nc1cccc(c1SC[C@@H](O)CO)O 62a_100009815848_100012183704 [1,1,0,0,0,0|0,1,0]=3 11510 B14R1.19598 Nc1cccc(c1SC[C@@H](O)CO)O 62a_100012183704_100009815848 [1,1,0,0,0,0|0,1,0]=3 11511 B14R1.19598 Nc1ccnc(c1OCC(O)CO)Cl 34a_100009844647_100011219619 [1,1,0,0,0,0|2,0,0]=4 11512 B14R1.19598 Nc1ccnc(c1OCC(O)CO)Cl 7a_100009844647_100011219619 [1,1,0,0,0,0|2,0,0]=4 11513 B14R1.19598 Nc1ccnc(c1OC[C@@H](O)CO)Cl 34a_100009844647_100009815848 [1,1,0,0,0,0|2,0,0]=4 11514 B14R1.19598 Nc1ccnc(c1OC[C@@H](O)CO)Cl 7a_100009844647_100009815848 [1,1,0,0,0,0|2,0,0]=4 11515 B14R1.19598 OCC(O)CNc1c(cccc1Br)Br 34a_100000690995_100011219619 [1,1,0,0,0,0|2,0,0]=4 11516 B14R1.19598 OCC(O)CNc1c(cccc1Br)Cl 34a_100102946385_100011219619 [1,1,0,0,0,0|2,0,0]=4 11517 B14R1.19598 OCC(O)CNc1c(cccc1Br)F 34a_100000684712_100011219619 [1,1,0,0,0,0|2,0,0]=4 11518 B14R1.19598 OCC(O)CNc1c(cccc1Br)O 34a_100011934926_100011219619 [1,1,0,0,0,0|1,0,0]=3 11519 B14R1.19598 OCC(O)CNc1c(cccc1Cl)Cl 34a_100000210028_100011219619 [1,1,0,0,0,0|2,0,0]=4 11520 B14R1.19598 OCC(O)CNc1c(cccc1Cl)F 34a_100000760031_100011219619 [1,1,0,0,0,0|2,0,0]=4 11521 B14R1.19598 OCC(O)CNc1c(cccc1Cl)O 34a_100012022510_100011219619 [1,1,0,0,0,0|1,0,0]=3 11522 B14R1.19598 OCC(O)CNc1c(cccc1F)F 2230a_100000210704_100011219619 [1,1,0,0,0,0|2,0,0]=4 11523 B14R1.19598 OCC(O)CNc1c(cccc1F)F 34a_100000210704_100011219619 [1,1,0,0,0,0|2,0,0]=4 11524 B14R1.19598 OCC(O)CNc1c(cccc1F)O 34a_100020591140_100011219619 [1,1,0,0,0,0|1,0,0]=3 11525 B14R1.19598 OCC(O)CNc1c(cccc1I)F 34a_100000042321_100011219619 [1,1,0,0,0,0|2,0,0]=4 11526 B14R1.19598 OCC(O)COc1c(cccc1Br)Br 34a_100000736428_100011219619 [1,1,0,0,0,0|1,0,0]=3 11527 B14R1.19598 OCC(O)COc1c(cccc1Br)Br 7a_100000736428_100011219619 [1,1,0,0,0,0|1,0,0]=3 11528 B14R1.19598 OCC(O)COc1c(cccc1Br)Cl 34a_100010214474_100011219619 [1,1,0,0,0,0|1,0,0]=3 11529 B14R1.19598 OCC(O)COc1c(cccc1Br)Cl 7a_100010214474_100011219619 [1,1,0,0,0,0|1,0,0]=3 11530 B14R1.19598 OCC(O)COc1c(cccc1Br)F 34a_100009813666_100011219619 [1,1,0,0,0,0|1,0,0]=3 11531 B14R1.19598 OCC(O)COc1c(cccc1Br)F 7a_100009813666_100011219619 [1,1,0,0,0,0|1,0,0]=3 11532 B14R1.19598 OCC(O)COc1c(cccc1Cl)Cl 34a_100000211709_100011219619 [1,1,0,0,0,0|1,0,0]=3 11533 B14R1.19598 OCC(O)COc1c(cccc1Cl)Cl 7a_100000211709_100011219619 [1,1,0,0,0,0|1,0,0]=3 11534 B14R1.19598 OCC(O)COc1c(cccc1Cl)F 34a_100000694953_100011219619 [1,1,0,0,0,0|1,0,0]=3 11535 B14R1.19598 OCC(O)COc1c(cccc1Cl)F 7a_100000694953_100011219619 [1,1,0,0,0,0|1,0,0]=3 11536 B14R1.19598 OCC(O)COc1c(cccc1F)F 34a_100000230165_100011219619 [1,1,0,0,0,0|1,0,0]=3 11537 B14R1.19598 OCC(O)COc1c(cccc1F)F 7a_100000230165_100011219619 [1,1,0,0,0,0|1,0,0]=3 11538 B14R1.19598 OCC(O)COc1c(cccc1I)Br 34a_100010084509_100011219619 [1,1,0,0,0,0|1,0,0]=3 11539 B14R1.19598 OCC(O)COc1c(cccc1I)Br 7a_100010084509_100011219619 [1,1,0,0,0,0|1,0,0]=3 11540 B14R1.19598 OCC(O)COc1c(cccc1I)Cl 34a_100010202889_100011219619 [1,1,0,0,0,0|1,0,0]=3 11541 B14R1.19598 OCC(O)COc1c(cccc1I)Cl 7a_100010202889_100011219619 [1,1,0,0,0,0|1,0,0]=3 11542 B14R1.19598 OCC(O)COc1c(cccc1I)F 34a_100010186298_100011219619 [1,1,0,0,0,0|1,0,0]=3 11543 B14R1.19598 OCC(O)COc1c(cccc1I)F 7a_100010186298_100011219619 [1,1,0,0,0,0|1,0,0]=3 11544 B14R1.19598 OCC(O)COc1c(ccnc1Cl)Cl 34a_100000118450_100011219619 [1,1,0,0,0,0|2,0,0]=4 11545 B14R1.19598 OCC(O)COc1c(ccnc1Cl)Cl 7a_100000118450_100011219619 [1,1,0,0,0,0|2,0,0]=4 11546 B14R1.19598 OCC(O)COc1c(ccnc1Cl)F 34a_100009867227_100011219619 [1,1,0,0,0,0|2,0,0]=4 11547 B14R1.19598 OCC(O)COc1c(ccnc1Cl)F 7a_100009867227_100011219619 [1,1,0,0,0,0|2,0,0]=4 11548 B14R1.19598 OCC(O)COc1c(ccnc1Cl)I 34a_100010067911_100011219619 [1,1,0,0,0,0|2,0,0]=4 11549 B14R1.19598 OCC(O)COc1c(ccnc1Cl)I 7a_100010067911_100011219619 [1,1,0,0,0,0|2,0,0]=4 11550 B14R1.19598 OCC(O)CSc1c(cccc1Br)Br 62a_100009994525_100011219619 [1,1,0,0,0,0|1,1,0]=4 11551 B14R1.19598 OCC(O)CSc1c(cccc1Br)Br 62a_100011219619_100009994525 [1,1,0,0,0,0|1,1,0]=4 11552 B14R1.19598 OCC(O)CSc1c(cccc1Br)Cl 62a_100010214488_100011219619 [1,1,0,0,0,0|1,1,0]=4 11553 B14R1.19598 OCC(O)CSc1c(cccc1Br)Cl 62a_100011219619_100010214488 [1,1,0,0,0,0|1,1,0]=4 11554 B14R1.19598 OCC(O)CSc1c(cccc1Br)F 62a_100011219512_100011219619 [1,1,0,0,0,0|1,1,0]=4 11555 B14R1.19598 OCC(O)CSc1c(cccc1Br)F 62a_100011219619_100011219512 [1,1,0,0,0,0|1,1,0]=4 11556 B14R1.19598 OCC(O)CSc1c(cccc1Br)O 62a_100010187912_100011219619 [1,1,0,0,0,0|0,1,0]=3 11557 B14R1.19598 OCC(O)CSc1c(cccc1Br)O 62a_100011219619_100010187912 [1,1,0,0,0,0|0,1,0]=3 11558 B14R1.19598 OCC(O)CSc1c(cccc1Cl)Cl 62a_100000034237_100011219619 [1,1,0,0,0,0|1,1,0]=4 11559 B14R1.19598 OCC(O)CSc1c(cccc1Cl)Cl 62a_100011219619_100000034237 [1,1,0,0,0,0|1,1,0]=4 11560 B14R1.19598 OCC(O)CSc1c(cccc1Cl)F 62a_100000050007_100011219619 [1,1,0,0,0,0|1,1,0]=4 11561 B14R1.19598 OCC(O)CSc1c(cccc1Cl)F 62a_100011219619_100000050007 [1,1,0,0,0,0|1,1,0]=4 11562 B14R1.19598 OCC(O)CSc1c(cccc1Cl)O 62a_100011219619_100000050174 [1,1,0,0,0,0|0,1,0]=3 11563 B14R1.19598 OCC(O)CSc1c(cccc1F)F 62a_100000693133_100011219619 [1,1,0,0,0,0|1,1,0]=4 11564 B14R1.19598 OCC(O)CSc1c(cccc1F)F 62a_100011219619_100000693133 [1,1,0,0,0,0|1,1,0]=4 11565 B14R1.19598 OCC(O)CSc1c(cccc1F)O 62a_100009820682_100011219619 [1,1,0,0,0,0|0,1,0]=3 11566 B14R1.19598 OCC(O)CSc1c(cccc1F)O 62a_100011219619_100009820682 [1,1,0,0,0,0|0,1,0]=3 11567 B14R1.19598 OCC(O)CSc1c(cccc1O)O 62a_100011219619_100010205330 [1,1,0,0,0,0|0,1,0]=3 11568 B14R1.19598 OCC(O)CSc1c(ccnc1O)O 62a_100011219619_200009817435 [1,1,0,0,0,0|1,1,0]=4 11569 B14R1.19598 OC[C@H](O)CNc1c(cccc1Br)Br 34a_100000690995_100009815848 [1,1,0,0,0,0|2,0,0]=4 11570 B14R1.19598 OC[C@H](O)CNc1c(cccc1Br)Cl 34a_100102946385_100009815848 [1,1,0,0,0,0|2,0,0]=4 11571 B14R1.19598 OC[C@H](O)CNc1c(cccc1Br)F 34a_100000684712_100009815848 [1,1,0,0,0,0|2,0,0]=4 11572 B14R1.19598 OC[C@H](O)CNc1c(cccc1Br)O 34a_100011934926_100009815848 [1,1,0,0,0,0|1,0,0]=3 11573 B14R1.19598 OC[C@H](O)CNc1c(cccc1Cl)Cl 34a_100000210028_100009815848 [1,1,0,0,0,0|2,0,0]=4 11574 B14R1.19598 OC[C@H](O)CNc1c(cccc1Cl)F 34a_100000760031_100009815848 [1,1,0,0,0,0|2,0,0]=4 11575 B14R1.19598 OC[C@H](O)CNc1c(cccc1Cl)O 34a_100012022510_100009815848 [1,1,0,0,0,0|1,0,0]=3 11576 B14R1.19598 OC[C@H](O)CNc1c(cccc1F)F 2230a_100000210704_100009815848 [1,1,0,0,0,0|2,0,0]=4 11577 B14R1.19598 OC[C@H](O)CNc1c(cccc1F)F 34a_100000210704_100009815848 [1,1,0,0,0,0|2,0,0]=4 11578 B14R1.19598 OC[C@H](O)CNc1c(cccc1F)O 34a_100020591140_100009815848 [1,1,0,0,0,0|1,0,0]=3 11579 B14R1.19598 OC[C@H](O)CNc1c(cccc1I)F 34a_100000042321_100009815848 [1,1,0,0,0,0|2,0,0]=4 11580 B14R1.19598 OC[C@H](O)COc1c(cccc1Br)Br 34a_100000736428_100009815848 [1,1,0,0,0,0|1,0,0]=3 11581 B14R1.19598 OC[C@H](O)COc1c(cccc1Br)Br 7a_100000736428_100009815848 [1,1,0,0,0,0|1,0,0]=3 11582 B14R1.19598 OC[C@H](O)COc1c(cccc1Br)Cl 34a_100010214474_100009815848 [1,1,0,0,0,0|1,0,0]=3 11583 B14R1.19598 OC[C@H](O)COc1c(cccc1Br)Cl 7a_100010214474_100009815848 [1,1,0,0,0,0|1,0,0]=3 11584 B14R1.19598 OC[C@H](O)COc1c(cccc1Br)F 34a_100009813666_100009815848 [1,1,0,0,0,0|1,0,0]=3 11585 B14R1.19598 OC[C@H](O)COc1c(cccc1Br)F 7a_100009813666_100009815848 [1,1,0,0,0,0|1,0,0]=3 11586 B14R1.19598 OC[C@H](O)COc1c(cccc1Cl)Cl 34a_100000211709_100009815848 [1,1,0,0,0,0|1,0,0]=3 11587 B14R1.19598 OC[C@H](O)COc1c(cccc1Cl)Cl 7a_100000211709_100009815848 [1,1,0,0,0,0|1,0,0]=3 11588 B14R1.19598 OC[C@H](O)COc1c(cccc1Cl)F 34a_100000694953_100009815848 [1,1,0,0,0,0|1,0,0]=3 11589 B14R1.19598 OC[C@H](O)COc1c(cccc1Cl)F 7a_100000694953_100009815848 [1,1,0,0,0,0|1,0,0]=3 11590 B14R1.19598 OC[C@H](O)COc1c(cccc1F)F 34a_100000230165_100009815848 [1,1,0,0,0,0|1,0,0]=3 11591 B14R1.19598 OC[C@H](O)COc1c(cccc1F)F 7a_100000230165_100009815848 [1,1,0,0,0,0|1,0,0]=3 11592 B14R1.19598 OC[C@H](O)COc1c(cccc1I)Br 34a_100010084509_100009815848 [1,1,0,0,0,0|1,0,0]=3 11593 B14R1.19598 OC[C@H](O)COc1c(cccc1I)Br 7a_100010084509_100009815848 [1,1,0,0,0,0|1,0,0]=3 11594 B14R1.19598 OC[C@H](O)COc1c(cccc1I)Cl 34a_100010202889_100009815848 [1,1,0,0,0,0|1,0,0]=3 11595 B14R1.19598 OC[C@H](O)COc1c(cccc1I)Cl 7a_100010202889_100009815848 [1,1,0,0,0,0|1,0,0]=3 11596 B14R1.19598 OC[C@H](O)COc1c(cccc1I)F 34a_100010186298_100009815848 [1,1,0,0,0,0|1,0,0]=3 11597 B14R1.19598 OC[C@H](O)COc1c(cccc1I)F 7a_100010186298_100009815848 [1,1,0,0,0,0|1,0,0]=3 11598 B14R1.19598 OC[C@H](O)COc1c(ccnc1Cl)Cl 34a_100000118450_100009815848 [1,1,0,0,0,0|2,0,0]=4 11599 B14R1.19598 OC[C@H](O)COc1c(ccnc1Cl)Cl 7a_100000118450_100009815848 [1,1,0,0,0,0|2,0,0]=4 11600 B14R1.19598 OC[C@H](O)COc1c(ccnc1Cl)F 34a_100009867227_100009815848 [1,1,0,0,0,0|2,0,0]=4 11601 B14R1.19598 OC[C@H](O)COc1c(ccnc1Cl)F 7a_100009867227_100009815848 [1,1,0,0,0,0|2,0,0]=4 11602 B14R1.19598 OC[C@H](O)COc1c(ccnc1Cl)I 34a_100010067911_100009815848 [1,1,0,0,0,0|2,0,0]=4 11603 B14R1.19598 OC[C@H](O)COc1c(ccnc1Cl)I 7a_100010067911_100009815848 [1,1,0,0,0,0|2,0,0]=4 11604 B14R1.19598 OC[C@H](O)CSc1c(cccc1Br)Br 62a_100009815848_100009994525 [1,1,0,0,0,0|1,1,0]=4 11605 B14R1.19598 OC[C@H](O)CSc1c(cccc1Br)Br 62a_100009994525_100009815848 [1,1,0,0,0,0|1,1,0]=4 11606 B14R1.19598 OC[C@H](O)CSc1c(cccc1Br)Cl 62a_100009815848_100010214488 [1,1,0,0,0,0|1,1,0]=4 11607 B14R1.19598 OC[C@H](O)CSc1c(cccc1Br)Cl 62a_100010214488_100009815848 [1,1,0,0,0,0|1,1,0]=4 11608 B14R1.19598 OC[C@H](O)CSc1c(cccc1Br)F 62a_100009815848_100011219512 [1,1,0,0,0,0|1,1,0]=4 11609 B14R1.19598 OC[C@H](O)CSc1c(cccc1Br)F 62a_100011219512_100009815848 [1,1,0,0,0,0|1,1,0]=4 11610 B14R1.19598 OC[C@H](O)CSc1c(cccc1Br)O 62a_100009815848_100010187912 [1,1,0,0,0,0|0,1,0]=3 11611 B14R1.19598 OC[C@H](O)CSc1c(cccc1Br)O 62a_100010187912_100009815848 [1,1,0,0,0,0|0,1,0]=3 11612 B14R1.19598 OC[C@H](O)CSc1c(cccc1Cl)Cl 62a_100000034237_100009815848 [1,1,0,0,0,0|1,1,0]=4 11613 B14R1.19598 OC[C@H](O)CSc1c(cccc1Cl)Cl 62a_100009815848_100000034237 [1,1,0,0,0,0|1,1,0]=4 11614 B14R1.19598 OC[C@H](O)CSc1c(cccc1Cl)F 62a_100000050007_100009815848 [1,1,0,0,0,0|1,1,0]=4 11615 B14R1.19598 OC[C@H](O)CSc1c(cccc1Cl)F 62a_100009815848_100000050007 [1,1,0,0,0,0|1,1,0]=4 11616 B14R1.19598 OC[C@H](O)CSc1c(cccc1Cl)O 62a_100009815848_100000050174 [1,1,0,0,0,0|0,1,0]=3 11617 B14R1.19598 OC[C@H](O)CSc1c(cccc1F)F 62a_100000693133_100009815848 [1,1,0,0,0,0|1,1,0]=4 11618 B14R1.19598 OC[C@H](O)CSc1c(cccc1F)F 62a_100009815848_100000693133 [1,1,0,0,0,0|1,1,0]=4 11619 B14R1.19598 OC[C@H](O)CSc1c(cccc1F)O 62a_100009815848_100009820682 [1,1,0,0,0,0|0,1,0]=3 11620 B14R1.19598 OC[C@H](O)CSc1c(cccc1F)O 62a_100009820682_100009815848 [1,1,0,0,0,0|0,1,0]=3 11621 B14R1.19598 OC[C@H](O)CSc1c(cccc1O)O 62a_100009815848_100010205330 [1,1,0,0,0,0|0,1,0]=3 11622 B14R1.19598 OC[C@H](O)CSc1c(ccnc1O)O 62a_100009815848_200009817435 [1,1,0,0,0,0|1,1,0]=4 11623 B14R1.19598 O[C@@H](CF)COc1c(cccc1Br)Br 34a_100000736428_100015614560 [1,1,0,0,0,0|2,0,0]=4 11624 B14R1.19598 O[C@@H](CF)COc1c(cccc1Br)Br 7a_100000736428_100015614560 [1,1,0,0,0,0|2,0,0]=4 11625 B14R1.19598 O[C@@H](CF)COc1c(cccc1Br)Cl 34a_100010214474_100015614560 [1,1,0,0,0,0|2,0,0]=4 11626 B14R1.19598 O[C@@H](CF)COc1c(cccc1Br)Cl 7a_100010214474_100015614560 [1,1,0,0,0,0|2,0,0]=4 11627 B14R1.19598 O[C@@H](CF)COc1c(cccc1Br)F 34a_100009813666_100015614560 [1,1,0,0,0,0|2,0,0]=4 11628 B14R1.19598 O[C@@H](CF)COc1c(cccc1Br)F 7a_100009813666_100015614560 [1,1,0,0,0,0|2,0,0]=4 11629 B14R1.19598 O[C@@H](CF)COc1c(cccc1Cl)Cl 34a_100000211709_100015614560 [1,1,0,0,0,0|2,0,0]=4 11630 B14R1.19598 O[C@@H](CF)COc1c(cccc1Cl)Cl 7a_100000211709_100015614560 [1,1,0,0,0,0|2,0,0]=4 11631 B14R1.19598 O[C@@H](CF)COc1c(cccc1Cl)F 34a_100000694953_100015614560 [1,1,0,0,0,0|2,0,0]=4 11632 B14R1.19598 O[C@@H](CF)COc1c(cccc1Cl)F 7a_100000694953_100015614560 [1,1,0,0,0,0|2,0,0]=4 11633 B14R1.19598 O[C@@H](CF)COc1c(cccc1F)F 34a_100000230165_100015614560 [1,1,0,0,0,0|2,0,0]=4 11634 B14R1.19598 O[C@@H](CF)COc1c(cccc1F)F 7a_100000230165_100015614560 [1,1,0,0,0,0|2,0,0]=4 11635 B14R1.19598 O[C@@H](CF)COc1c(cccc1I)Br 34a_100010084509_100015614560 [1,1,0,0,0,0|2,0,0]=4 11636 B14R1.19598 O[C@@H](CF)COc1c(cccc1I)Br 7a_100010084509_100015614560 [1,1,0,0,0,0|2,0,0]=4 11637 B14R1.19598 O[C@@H](CF)COc1c(cccc1I)Cl 34a_100010202889_100015614560 [1,1,0,0,0,0|2,0,0]=4 11638 B14R1.19598 O[C@@H](CF)COc1c(cccc1I)Cl 7a_100010202889_100015614560 [1,1,0,0,0,0|2,0,0]=4 11639 B14R1.19598 O[C@@H](CF)COc1c(cccc1I)F 34a_100010186298_100015614560 [1,1,0,0,0,0|2,0,0]=4 11640 B14R1.19598 O[C@@H](CF)COc1c(cccc1I)F 7a_100010186298_100015614560 [1,1,0,0,0,0|2,0,0]=4 11641 B14R1.19598 Oc1cccc(c1NC[C@@H](O)CF)Br 34a_100011934926_100015614560 [1,1,0,0,0,0|2,0,0]=4 11642 B14R1.19598 Oc1cccc(c1NC[C@@H](O)CF)Cl 34a_100012022510_100015614560 [1,1,0,0,0,0|2,0,0]=4 11643 B14R1.19598 Oc1cccc(c1NC[C@@H](O)CF)F 34a_100020591140_100015614560 [1,1,0,0,0,0|2,0,0]=4 11644 B14R1.19598 Oc1cccc(c1SC[C@@H](O)CF)Br 62a_100010187912_100015614560 [1,1,0,0,0,0|1,1,0]=4 11645 B14R1.19598 Oc1cccc(c1SC[C@@H](O)CF)Br 62a_100015614560_100010187912 [1,1,0,0,0,0|1,1,0]=4 11646 B14R1.19598 Oc1cccc(c1SC[C@@H](O)CF)Cl 62a_100015614560_100000050174 [1,1,0,0,0,0|1,1,0]=4 11647 B14R1.19598 Oc1cccc(c1SC[C@@H](O)CF)F 62a_100009820682_100015614560 [1,1,0,0,0,0|1,1,0]=4 11648 B14R1.19598 Oc1cccc(c1SC[C@@H](O)CF)F 62a_100015614560_100009820682 [1,1,0,0,0,0|1,1,0]=4 11649 B14R1.19598 Oc1cccc(c1SC[C@@H](O)CF)O 62a_100015614560_100010205330 [1,1,0,0,0,0|1,1,0]=4 11650 B14R1.95 COc1ccccc1N(C)C(C)CO 2230a_100000219746_100012180447 [0,1,0,0,1,0|2,0,0]=4 11651 B14R1.95 COc1ccccc1N(C)C(C)CO 34a_100000219746_100012180447 [0,1,0,0,1,0|2,0,0]=4 11652 B14R1.95 COc1ccccc1N(C)[C@H](C)CO 269982a_100000219746_100016084084 [0,1,0,0,1,0|2,0,0]=4 11653 B14R1.483 C/C=C/c1ccccc1OC(C)CO 34a_200000189419_100012180447 [0,1,0,0,1,0|2,0,0]=4 11654 B14R1.483 C/C=C/c1ccccc1OC(C)CO 7a_200000189419_100012180447 [0,1,0,0,1,0|2,0,0]=4 11655 B14R1.483 CC(CO)Oc1ccccc1CCBr 34a_100000722297_100012180447 [0,1,0,0,1,0|2,0,0]=4 11656 B14R1.483 CC(CO)Oc1ccccc1CCBr 7a_100000722297_100012180447 [0,1,0,0,1,0|2,0,0]=4 11657 B14R1.483 CC(CO)Oc1ccccc1CCN 34a_100011207237_100012180447 [0,1,0,0,1,0|2,0,0]=4 11658 B14R1.483 CC(CO)Oc1ccccc1CCO 34a_100000719421_100012180447 [0,1,0,0,1,0|2,0,0]=4 11659 B14R1.483 CC(CO)Oc1ccccc1CCO 7a_100000719421_100012180447 [0,1,0,0,1,0|2,0,0]=4 11660 B14R1.483 CCC(C)Oc1ccccc1COC 34a_100011488565_100011215416 [0,1,0,0,1,0|2,0,0]=4 11661 B14R1.483 CCC(C)Oc1ccccc1COC 7a_100011488565_100000758301 [0,1,0,0,1,0|2,0,0]=4 11662 B14R1.483 CCCc1ccccc1OC(C)CO 34a_100011217252_100012180447 [0,1,0,0,1,0|2,0,0]=4 11663 B14R1.483 CCCc1ccccc1OC(C)CO 7a_100011217252_100012180447 [0,1,0,0,1,0|2,0,0]=4 11664 B14R1.483 CCNc1ccccc1OC(C)CO 34a_103624766699_100012180447 [0,1,0,0,1,0|2,0,0]=4 11665 B14R1.483 CCNc1ccccc1OC(C)CO 7a_103624766699_100012180447 [0,1,0,0,1,0|2,0,0]=4 11666 B14R1.483 CCOc1ccccc1NC(C)CO 34a_100000211218_100012180447 [0,1,0,0,1,0|2,0,0]=4 11667 B14R1.483 CCOc1ccccc1OC(C)CC 34a_100000211404_100011215416 [0,1,0,0,1,0|2,0,0]=4 11668 B14R1.483 CCOc1ccccc1OC(C)CC 7a_100000211404_100000758301 [0,1,0,0,1,0|2,0,0]=4 11669 B14R1.483 CCOc1ccccc1OC(C)CO 34a_100000211404_100012180447 [0,1,0,0,1,0|1,0,0]=3 11670 B14R1.483 CCOc1ccccc1OC(C)CO 7a_100000211404_100012180447 [0,1,0,0,1,0|1,0,0]=3 11671 B14R1.483 CCOc1ccccc1SC(C)CO 62a_100012180447_100000230754 [0,1,0,0,1,0|1,1,0]=4 11672 B14R1.483 CCOc1ccccc1S[C@H](C)CO 62a_100000230754_100016084084 [0,1,0,0,1,0|1,1,0]=4 11673 B14R1.483 CCOc1ccccc1S[C@H](C)CO 62a_100016084084_100000230754 [0,1,0,0,1,0|1,1,0]=4 11674 B14R1.483 CCOc1ncccc1OC(C)CO 34a_100011998697_100012180447 [0,1,0,0,1,0|2,0,0]=4 11675 B14R1.483 CNCc1ccccc1OC(C)CO 34a_100015189988_100012180447 [0,1,0,0,1,0|2,0,0]=4 11676 B14R1.483 COCc1ccccc1OC(C)CO 34a_100011488565_100012180447 [0,1,0,0,1,0|1,0,0]=3 11677 B14R1.483 COCc1ccccc1OC(C)CO 7a_100011488565_100012180447 [0,1,0,0,1,0|1,0,0]=3 11678 B14R1.483 COCc1ccccc1SC(C)CO 62a_100012180447_100011493684 [0,1,0,0,1,0|1,1,0]=4 11679 B14R1.483 COCc1ccccc1S[C@H](C)CO 62a_100011493684_100016084084 [0,1,0,0,1,0|1,1,0]=4 11680 B14R1.483 COCc1ccccc1S[C@H](C)CO 62a_100016084084_100011493684 [0,1,0,0,1,0|1,1,0]=4 11681 B14R1.2000 COc1ccccc1SC(F)(F)CO 62a_100000210334_100011217949 [0,1,0,0,1,0|1,1,0]=4 11682 B14R1.2000 COc1ccccc1SC(F)(F)CO 62a_100011217949_100000210334 [0,1,0,0,1,0|1,1,0]=4 11683 B14R1.2178 CCC(C)Oc1c(cccc1OC)Br 34a_100000686866_100011215416 [0,1,0,0,1,0|2,0,0]=4 11684 B14R1.2178 CCC(C)Oc1c(cccc1OC)C 34a_100011219253_100011215416 [0,1,0,0,1,0|2,0,0]=4 11685 B14R1.2178 CCC(C)Oc1c(cccc1OC)C 7a_100011219253_100000758301 [0,1,0,0,1,0|2,0,0]=4 11686 B14R1.2178 CCC(C)Oc1c(cccc1OC)Cl 34a_100009851661_100011215416 [0,1,0,0,1,0|2,0,0]=4 11687 B14R1.2178 CCC(C)Oc1c(cccc1OC)Cl 7a_100009851661_100000758301 [0,1,0,0,1,0|2,0,0]=4 11688 B14R1.2178 CCC(C)Oc1c(cccc1OC)F 34a_100000036725_100011215416 [0,1,0,0,1,0|2,0,0]=4 11689 B14R1.2178 CCC(C)Oc1c(cccc1OC)F 7a_100000036725_100000758301 [0,1,0,0,1,0|2,0,0]=4 11690 B14R1.2178 CCC(C)Oc1c(cccc1OC)N 34a_100000123586_100011215416 [0,1,0,0,1,0|2,0,0]=4 11691 B14R1.2178 CCc1cccc(c1OC(C)CO)Br 34a_200010001580_100012180447 [0,1,0,0,1,0|2,0,0]=4 11692 B14R1.2178 CCc1cccc(c1OC(C)CO)Br 7a_200010001580_100012180447 [0,1,0,0,1,0|2,0,0]=4 11693 B14R1.2178 CCc1cccc(c1OC(C)CO)C 34a_100000034007_100012180447 [0,1,0,0,1,0|2,0,0]=4 11694 B14R1.2178 CCc1cccc(c1OC(C)CO)C 7a_100000034007_100012180447 [0,1,0,0,1,0|2,0,0]=4 11695 B14R1.2178 COc1cccc(c1CC(=O)CO)Cl 1458a_100000210174_100012349678 [0,1,0,0,1,0|0,0,2]=4 11696 B14R1.2178 COc1cccc(c1CC(=O)CO)F 1458a_100000210174_100011216731 [0,1,0,0,1,0|0,0,2]=4 11697 B14R1.2178 COc1cccc(c1NC(C)CO)Br 34a_100000708083_100012180447 [0,1,0,0,1,0|2,0,0]=4 11698 B14R1.2178 COc1cccc(c1NC(C)CO)C 2230a_100000758225_100012180447 [0,1,0,0,1,0|2,0,0]=4 11699 B14R1.2178 COc1cccc(c1NC(C)CO)C 34a_100000758225_100012180447 [0,1,0,0,1,0|2,0,0]=4 11700 B14R1.2178 COc1cccc(c1NC(C)CO)Cl 34a_100011309317_100012180447 [0,1,0,0,1,0|2,0,0]=4 11701 B14R1.2178 COc1cccc(c1NC(C)CO)F 34a_100000686744_100012180447 [0,1,0,0,1,0|2,0,0]=4 11702 B14R1.2178 COc1cccc(c1NC(C)CO)O 34a_100012022766_100012180447 [0,1,0,0,1,0|2,0,0]=4 11703 B14R1.2178 COc1cccc(c1OC(C)CO)Br 34a_100000686866_100012180447 [0,1,0,0,1,0|1,0,0]=3 11704 B14R1.2178 COc1cccc(c1OC(C)CO)C 34a_100011219253_100012180447 [0,1,0,0,1,0|1,0,0]=3 11705 B14R1.2178 COc1cccc(c1OC(C)CO)C 7a_100011219253_100012180447 [0,1,0,0,1,0|1,0,0]=3 11706 B14R1.2178 COc1cccc(c1OC(C)CO)Cl 34a_100009851661_100012180447 [0,1,0,0,1,0|1,0,0]=3 11707 B14R1.2178 COc1cccc(c1OC(C)CO)Cl 7a_100009851661_100012180447 [0,1,0,0,1,0|1,0,0]=3 11708 B14R1.2178 COc1cccc(c1OC(C)CO)F 34a_100000036725_100012180447 [0,1,0,0,1,0|1,0,0]=3 11709 B14R1.2178 COc1cccc(c1OC(C)CO)F 7a_100000036725_100012180447 [0,1,0,0,1,0|1,0,0]=3 11710 B14R1.2178 COc1cccc(c1OC(C)CO)N 34a_100000123586_100012180447 [0,1,0,0,1,0|1,0,0]=3 11711 B14R1.2178 COc1cccc(c1SC(C)CO)Br 62a_100012180447_100010131421 [0,1,0,0,1,0|1,1,0]=4 11712 B14R1.2178 COc1cccc(c1SC(C)CO)C 62a_100012180447_100010191535 [0,1,0,0,1,0|1,1,0]=4 11713 B14R1.2178 COc1cccc(c1SC(C)CO)F 62a_100012180447_100000703912 [0,1,0,0,1,0|1,1,0]=4 11714 B14R1.2178 COc1cccc(c1SC(C)CO)N 62a_100012180447_100000703447 [0,1,0,0,1,0|1,1,0]=4 11715 B14R1.2178 COc1cccc(c1SC(C)CO)O 62a_100012180447_100010202623 [0,1,0,0,1,0|1,1,0]=4 11716 B14R1.2178 COc1cccc(c1S[C@H](C)CO)Br 62a_100010131421_100016084084 [0,1,0,0,1,0|1,1,0]=4 11717 B14R1.2178 COc1cccc(c1S[C@H](C)CO)Br 62a_100016084084_100010131421 [0,1,0,0,1,0|1,1,0]=4 11718 B14R1.2178 COc1cccc(c1S[C@H](C)CO)C 62a_100010191535_100016084084 [0,1,0,0,1,0|1,1,0]=4 11719 B14R1.2178 COc1cccc(c1S[C@H](C)CO)C 62a_100016084084_100010191535 [0,1,0,0,1,0|1,1,0]=4 11720 B14R1.2178 COc1cccc(c1S[C@H](C)CO)F 62a_100000703912_100016084084 [0,1,0,0,1,0|1,1,0]=4 11721 B14R1.2178 COc1cccc(c1S[C@H](C)CO)F 62a_100016084084_100000703912 [0,1,0,0,1,0|1,1,0]=4 11722 B14R1.2178 COc1cccc(c1S[C@H](C)CO)N 62a_100000703447_100016084084 [0,1,0,0,1,0|1,1,0]=4 11723 B14R1.2178 COc1cccc(c1S[C@H](C)CO)N 62a_100016084084_100000703447 [0,1,0,0,1,0|1,1,0]=4 11724 B14R1.2178 COc1cccc(c1S[C@H](C)CO)O 62a_100016084084_100010202623 [0,1,0,0,1,0|1,1,0]=4 11725 B14R1.3279 CCC(C)Oc1cc(ccc1OC)Br 34a_100009816560_100011215416 [0,1,0,0,1,0|2,0,0]=4 11726 B14R1.3279 CCC(C)Oc1cc(ccc1OC)Br 7a_100009816560_100000758301 [0,1,0,0,1,0|2,0,0]=4 11727 B14R1.3279 CCC(C)Oc1cc(ccc1OC)C 34a_100011216497_100011215416 [0,1,0,0,1,0|2,0,0]=4 11728 B14R1.3279 CCC(C)Oc1cc(ccc1OC)C 7a_100011216497_100000758301 [0,1,0,0,1,0|2,0,0]=4 11729 B14R1.3279 CCC(C)Oc1cc(ccc1OC)Cl 34a_100000101779_100011215416 [0,1,0,0,1,0|2,0,0]=4 11730 B14R1.3279 CCC(C)Oc1cc(ccc1OC)Cl 7a_100000101779_100000758301 [0,1,0,0,1,0|2,0,0]=4 11731 B14R1.3279 CCC(C)Oc1cc(ccc1OC)F 34a_100000034962_100011215416 [0,1,0,0,1,0|2,0,0]=4 11732 B14R1.3279 CCC(C)Oc1cc(ccc1OC)F 7a_100000034962_100000758301 [0,1,0,0,1,0|2,0,0]=4 11733 B14R1.3279 CCC(C)Oc1cc(ccc1OC)N 34a_100000211920_100011215416 [0,1,0,0,1,0|2,0,0]=4 11734 B14R1.3279 COc1ccc(cc1CC(=O)CO)Br 1458a_100000210174_100000204665 [0,1,0,0,1,0|0,0,2]=4 11735 B14R1.3279 COc1ccc(cc1CC(=O)CO)C 1458a_100000210174_100000199068 [0,1,0,0,1,0|0,0,2]=4 11736 B14R1.3279 COc1ccc(cc1CC(=O)CO)Cl 1458a_100000210174_100000209806 [0,1,0,0,1,0|0,0,2]=4 11737 B14R1.3279 COc1ccc(cc1CC(=O)CO)F 1458a_100000210174_100011830354 [0,1,0,0,1,0|0,0,2]=4 11738 B14R1.3279 COc1ccc(cc1NC(C)CO)Br 34a_100000743470_100012180447 [0,1,0,0,1,0|2,0,0]=4 11739 B14R1.3279 COc1ccc(cc1NC(C)CO)C 2230a_100000210980_100012180447 [0,1,0,0,1,0|2,0,0]=4 11740 B14R1.3279 COc1ccc(cc1NC(C)CO)C 34a_100000210980_100012180447 [0,1,0,0,1,0|2,0,0]=4 11741 B14R1.3279 COc1ccc(cc1NC(C)CO)Cl 34a_100000182114_100012180447 [0,1,0,0,1,0|2,0,0]=4 11742 B14R1.3279 COc1ccc(cc1NC(C)CO)F 34a_100000757179_100012180447 [0,1,0,0,1,0|2,0,0]=4 11743 B14R1.3279 COc1ccc(cc1OC(C)CO)Br 34a_100009816560_100012180447 [0,1,0,0,1,0|1,0,0]=3 11744 B14R1.3279 COc1ccc(cc1OC(C)CO)Br 7a_100009816560_100012180447 [0,1,0,0,1,0|1,0,0]=3 11745 B14R1.3279 COc1ccc(cc1OC(C)CO)C 34a_100011216497_100012180447 [0,1,0,0,1,0|1,0,0]=3 11746 B14R1.3279 COc1ccc(cc1OC(C)CO)C 7a_100011216497_100012180447 [0,1,0,0,1,0|1,0,0]=3 11747 B14R1.3279 COc1ccc(cc1OC(C)CO)Cl 34a_100000101779_100012180447 [0,1,0,0,1,0|1,0,0]=3 11748 B14R1.3279 COc1ccc(cc1OC(C)CO)Cl 7a_100000101779_100012180447 [0,1,0,0,1,0|1,0,0]=3 11749 B14R1.3279 COc1ccc(cc1OC(C)CO)F 34a_100000034962_100012180447 [0,1,0,0,1,0|1,0,0]=3 11750 B14R1.3279 COc1ccc(cc1OC(C)CO)F 7a_100000034962_100012180447 [0,1,0,0,1,0|1,0,0]=3 11751 B14R1.3279 COc1ccc(cc1OC(C)CO)N 34a_100000211920_100012180447 [0,1,0,0,1,0|1,0,0]=3 11752 B14R1.3279 COc1ccc(cc1SC(C)CO)Br 62a_100012180447_100012351588 [0,1,0,0,1,0|1,1,0]=4 11753 B14R1.3279 COc1ccc(cc1SC(C)CO)C 62a_100012180447_100000186399 [0,1,0,0,1,0|1,1,0]=4 11754 B14R1.3279 COc1ccc(cc1SC(C)CO)Cl 62a_100012180447_100011215930 [0,1,0,0,1,0|1,1,0]=4 11755 B14R1.3279 COc1ccc(cc1SC(C)CO)F 62a_100012180447_100000171694 [0,1,0,0,1,0|1,1,0]=4 11756 B14R1.3279 COc1ccc(cc1SC(C)CO)N 62a_100012180447_100011356947 [0,1,0,0,1,0|1,1,0]=4 11757 B14R1.3279 COc1ccc(cc1SC(C)CO)O 62a_100012180447_100010234764 [0,1,0,0,1,0|1,1,0]=4 11758 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)Br 62a_100012351588_100016084084 [0,1,0,0,1,0|1,1,0]=4 11759 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)Br 62a_100016084084_100012351588 [0,1,0,0,1,0|1,1,0]=4 11760 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)C 62a_100000186399_100016084084 [0,1,0,0,1,0|1,1,0]=4 11761 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)C 62a_100016084084_100000186399 [0,1,0,0,1,0|1,1,0]=4 11762 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)Cl 62a_100011215930_100016084084 [0,1,0,0,1,0|1,1,0]=4 11763 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)Cl 62a_100016084084_100011215930 [0,1,0,0,1,0|1,1,0]=4 11764 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)F 62a_100000171694_100016084084 [0,1,0,0,1,0|1,1,0]=4 11765 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)F 62a_100016084084_100000171694 [0,1,0,0,1,0|1,1,0]=4 11766 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)N 62a_100011356947_100016084084 [0,1,0,0,1,0|1,1,0]=4 11767 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)N 62a_100016084084_100011356947 [0,1,0,0,1,0|1,1,0]=4 11768 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)O 62a_100010234764_100016084084 [0,1,0,0,1,0|1,1,0]=4 11769 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)O 62a_100016084084_100010234764 [0,1,0,0,1,0|1,1,0]=4 11770 B14R1.3279 COc1cnc(cc1OC(C)CO)Br 34a_100010264082_100012180447 [0,1,0,0,1,0|2,0,0]=4 11771 B14R1.3279 COc1cnc(cc1OC(C)CO)Cl 34a_100009849459_100012180447 [0,1,0,0,1,0|2,0,0]=4 11772 B14R1.3279 COc1ncc(cc1OC(C)CO)Br 34a_100010135713_100012180447 [0,1,0,0,1,0|2,0,0]=4 11773 B14R1.3302 CC(CO)Oc1ccccc1C(C)C 34a_100000211617_100012180447 [0,1,0,0,1,0|2,0,0]=4 11774 B14R1.3302 CC(CO)Oc1ccccc1C(C)C 7a_100000211617_100012180447 [0,1,0,0,1,0|2,0,0]=4 11775 B14R1.3302 CC(CO)Oc1ccccc1C(C)O 34a_200011232679_100012180447 [0,1,0,0,1,0|2,0,0]=4 11776 B14R1.3302 CC(CO)Oc1ccccc1C(C)O 7a_200011232679_100012180447 [0,1,0,0,1,0|2,0,0]=4 11777 B14R1.3302 CC(CO)Oc1ccccc1[C@@H](C)N 34a_100025703389_100012180447 [0,1,0,0,1,0|2,0,0]=4 11778 B14R1.3417 CCC(C)Oc1ccc(cc1OC)Br 34a_100000694246_100011215416 [0,1,0,0,1,0|2,0,0]=4 11779 B14R1.3417 CCC(C)Oc1ccc(cc1OC)Br 7a_100000694246_100000758301 [0,1,0,0,1,0|2,0,0]=4 11780 B14R1.3417 CCC(C)Oc1ccc(cc1OC)C 34a_100000186466_100011215416 [0,1,0,0,1,0|2,0,0]=4 11781 B14R1.3417 CCC(C)Oc1ccc(cc1OC)Cl 34a_100000033002_100011215416 [0,1,0,0,1,0|2,0,0]=4 11782 B14R1.3417 CCC(C)Oc1ccc(cc1OC)F 34a_100000036057_100011215416 [0,1,0,0,1,0|2,0,0]=4 11783 B14R1.3417 CCC(C)Oc1ccc(cc1OC)F 7a_100000036057_100000758301 [0,1,0,0,1,0|2,0,0]=4 11784 B14R1.3417 CCC(C)Oc1ccc(cc1OC)I 34a_100000049635_100011215416 [0,1,0,0,1,0|2,0,0]=4 11785 B14R1.3417 CCC(C)Oc1ccc(cc1OC)N 34a_100000726020_100011215416 [0,1,0,0,1,0|2,0,0]=4 11786 B14R1.3417 CCc1cc(ccc1OC(C)CO)Br 34a_100012338938_100012180447 [0,1,0,0,1,0|2,0,0]=4 11787 B14R1.3417 CCc1cc(ccc1OC(C)CO)Br 7a_100012338938_100012180447 [0,1,0,0,1,0|2,0,0]=4 11788 B14R1.3417 CCc1cc(ccc1OC(C)CO)C 34a_100009844793_100012180447 [0,1,0,0,1,0|2,0,0]=4 11789 B14R1.3417 CCc1cc(ccc1OC(C)CO)C 7a_100009844793_100012180447 [0,1,0,0,1,0|2,0,0]=4 11790 B14R1.3417 CCc1cc(ccc1OC(C)CO)F 34a_200000035566_100012180447 [0,1,0,0,1,0|2,0,0]=4 11791 B14R1.3417 CCc1cc(ccc1OC(C)CO)F 7a_200000035566_100012180447 [0,1,0,0,1,0|2,0,0]=4 11792 B14R1.3417 COc1cc(ccc1CC(=O)CO)Br 1458a_100000210174_100012359436 [0,1,0,0,1,0|0,0,2]=4 11793 B14R1.3417 COc1cc(ccc1CC(=O)CO)F 1458a_100000210174_200010171551 [0,1,0,0,1,0|0,0,2]=4 11794 B14R1.3417 COc1cc(ccc1NC(C)CO)Br 34a_100011279103_100012180447 [0,1,0,0,1,0|2,0,0]=4 11795 B14R1.3417 COc1cc(ccc1NC(C)CO)C 2230a_100000746441_100012180447 [0,1,0,0,1,0|2,0,0]=4 11796 B14R1.3417 COc1cc(ccc1NC(C)CO)C 34a_100000746441_100012180447 [0,1,0,0,1,0|2,0,0]=4 11797 B14R1.3417 COc1cc(ccc1NC(C)CO)Cl 34a_100000707585_100012180447 [0,1,0,0,1,0|2,0,0]=4 11798 B14R1.3417 COc1cc(ccc1NC(C)CO)F 34a_100000737216_100012180447 [0,1,0,0,1,0|2,0,0]=4 11799 B14R1.3417 COc1cc(ccc1NC(C)CO)I 34a_100015196925_100012180447 [0,1,0,0,1,0|2,0,0]=4 11800 B14R1.3417 COc1cc(ccc1NC(C)CO)O 34a_100015326901_100012180447 [0,1,0,0,1,0|2,0,0]=4 11801 B14R1.3417 COc1cc(ccc1OC(C)CO)Br 34a_100000694246_100012180447 [0,1,0,0,1,0|1,0,0]=3 11802 B14R1.3417 COc1cc(ccc1OC(C)CO)Br 7a_100000694246_100012180447 [0,1,0,0,1,0|1,0,0]=3 11803 B14R1.3417 COc1cc(ccc1OC(C)CO)C 34a_100000186466_100012180447 [0,1,0,0,1,0|1,0,0]=3 11804 B14R1.3417 COc1cc(ccc1OC(C)CO)Cl 34a_100000033002_100012180447 [0,1,0,0,1,0|1,0,0]=3 11805 B14R1.3417 COc1cc(ccc1OC(C)CO)F 34a_100000036057_100012180447 [0,1,0,0,1,0|1,0,0]=3 11806 B14R1.3417 COc1cc(ccc1OC(C)CO)F 7a_100000036057_100012180447 [0,1,0,0,1,0|1,0,0]=3 11807 B14R1.3417 COc1cc(ccc1OC(C)CO)I 34a_100000049635_100012180447 [0,1,0,0,1,0|1,0,0]=3 11808 B14R1.3417 COc1cc(ccc1OC(C)CO)N 34a_100000726020_100012180447 [0,1,0,0,1,0|1,0,0]=3 11809 B14R1.3417 COc1cc(ccc1SC(C)CO)Br 62a_100012180447_100010245111 [0,1,0,0,1,0|1,1,0]=4 11810 B14R1.3417 COc1cc(ccc1SC(C)CO)C 62a_100012180447_100010200004 [0,1,0,0,1,0|1,1,0]=4 11811 B14R1.3417 COc1cc(ccc1SC(C)CO)Cl 62a_100012180447_100000050115 [0,1,0,0,1,0|1,1,0]=4 11812 B14R1.3417 COc1cc(ccc1SC(C)CO)F 62a_100012180447_100000757151 [0,1,0,0,1,0|1,1,0]=4 11813 B14R1.3417 COc1cc(ccc1SC(C)CO)N 62a_100012180447_100000765947 [0,1,0,0,1,0|1,1,0]=4 11814 B14R1.3417 COc1cc(ccc1SC(C)CO)O 62a_100012180447_100011827694 [0,1,0,0,1,0|1,1,0]=4 11815 B14R1.3417 COc1cc(ccc1S[C@H](C)CO)Br 62a_100010245111_100016084084 [0,1,0,0,1,0|1,1,0]=4 11816 B14R1.3417 COc1cc(ccc1S[C@H](C)CO)Br 62a_100016084084_100010245111 [0,1,0,0,1,0|1,1,0]=4 11817 B14R1.3417 COc1cc(ccc1S[C@H](C)CO)C 62a_100010200004_100016084084 [0,1,0,0,1,0|1,1,0]=4 11818 B14R1.3417 COc1cc(ccc1S[C@H](C)CO)C 62a_100016084084_100010200004 [0,1,0,0,1,0|1,1,0]=4 11819 B14R1.3417 COc1cc(ccc1S[C@H](C)CO)Cl 62a_100000050115_100016084084 [0,1,0,0,1,0|1,1,0]=4 11820 B14R1.3417 COc1cc(ccc1S[C@H](C)CO)Cl 62a_100016084084_100000050115 [0,1,0,0,1,0|1,1,0]=4 11821 B14R1.3417 COc1cc(ccc1S[C@H](C)CO)F 62a_100000757151_100016084084 [0,1,0,0,1,0|1,1,0]=4 11822 B14R1.3417 COc1cc(ccc1S[C@H](C)CO)F 62a_100016084084_100000757151 [0,1,0,0,1,0|1,1,0]=4 11823 B14R1.3417 COc1cc(ccc1S[C@H](C)CO)N 62a_100000765947_100016084084 [0,1,0,0,1,0|1,1,0]=4 11824 B14R1.3417 COc1cc(ccc1S[C@H](C)CO)N 62a_100016084084_100000765947 [0,1,0,0,1,0|1,1,0]=4 11825 B14R1.3417 COc1cc(ccc1S[C@H](C)CO)O 62a_100016084084_100011827694 [0,1,0,0,1,0|1,1,0]=4 11826 B14R1.3417 COc1cc(cnc1OC(C)CO)Cl 34a_200009845368_100012180447 [0,1,0,0,1,0|2,0,0]=4 11827 B14R1.3417 COc1nc(ccc1OC(C)CO)Br 34a_100010893133_100012180447 [0,1,0,0,1,0|2,0,0]=4 11828 B14R1.3995 CCC(C)Oc1cccc(c1OC)Br 34a_100010234590_100011215416 [0,1,0,0,1,0|2,0,0]=4 11829 B14R1.3995 CCC(C)Oc1cccc(c1OC)Cl 34a_200009886253_100011215416 [0,1,0,0,1,0|2,0,0]=4 11830 B14R1.3995 CCC(C)Oc1cccc(c1OC)Cl 7a_200009886253_100000758301 [0,1,0,0,1,0|2,0,0]=4 11831 B14R1.3995 COc1c(cccc1CC(=O)CO)Br 1458a_100000210174_100011470457 [0,1,0,0,1,0|0,0,2]=4 11832 B14R1.3995 COc1c(cccc1CC(=O)CO)C 1458a_100000210174_100012349798 [0,1,0,0,1,0|0,0,2]=4 11833 B14R1.3995 COc1c(cccc1NC(C)CO)Br 34a_100011935253_100012180447 [0,1,0,0,1,0|2,0,0]=4 11834 B14R1.3995 COc1c(cccc1NC(C)CO)C 34a_100012017360_100012180447 [0,1,0,0,1,0|2,0,0]=4 11835 B14R1.3995 COc1c(cccc1NC(C)CO)Cl 2230a_100000743799_100012180447 [0,1,0,0,1,0|2,0,0]=4 11836 B14R1.3995 COc1c(cccc1NC(C)CO)Cl 34a_100000743799_100012180447 [0,1,0,0,1,0|2,0,0]=4 11837 B14R1.3995 COc1c(cccc1NC(C)CO)F 34a_100011215007_100012180447 [0,1,0,0,1,0|2,0,0]=4 11838 B14R1.3995 COc1c(cccc1OC(C)CO)Br 34a_100010234590_100012180447 [0,1,0,0,1,0|1,0,0]=3 11839 B14R1.3995 COc1c(cccc1OC(C)CO)Cl 34a_200009886253_100012180447 [0,1,0,0,1,0|1,0,0]=3 11840 B14R1.3995 COc1c(cccc1OC(C)CO)Cl 7a_200009886253_100012180447 [0,1,0,0,1,0|1,0,0]=3 11841 B14R1.3995 COc1c(cccc1SC(C)CO)Br 62a_100012180447_100010146560 [0,1,0,0,1,0|1,1,0]=4 11842 B14R1.3995 COc1c(cccc1SC(C)CO)C 62a_100012180447_100010141385 [0,1,0,0,1,0|1,1,0]=4 11843 B14R1.3995 COc1c(cccc1SC(C)CO)Cl 62a_100012180447_100010147678 [0,1,0,0,1,0|1,1,0]=4 11844 B14R1.3995 COc1c(cccc1SC(C)CO)F 62a_100012180447_100009816759 [0,1,0,0,1,0|1,1,0]=4 11845 B14R1.3995 COc1c(cccc1SC(C)CO)O 62a_100012180447_100010234590 [0,1,0,0,1,0|1,1,0]=4 11846 B14R1.3995 COc1c(cccc1S[C@H](C)CO)Br 62a_100010146560_100016084084 [0,1,0,0,1,0|1,1,0]=4 11847 B14R1.3995 COc1c(cccc1S[C@H](C)CO)Br 62a_100016084084_100010146560 [0,1,0,0,1,0|1,1,0]=4 11848 B14R1.3995 COc1c(cccc1S[C@H](C)CO)C 62a_100010141385_100016084084 [0,1,0,0,1,0|1,1,0]=4 11849 B14R1.3995 COc1c(cccc1S[C@H](C)CO)C 62a_100016084084_100010141385 [0,1,0,0,1,0|1,1,0]=4 11850 B14R1.3995 COc1c(cccc1S[C@H](C)CO)Cl 62a_100010147678_100016084084 [0,1,0,0,1,0|1,1,0]=4 11851 B14R1.3995 COc1c(cccc1S[C@H](C)CO)Cl 62a_100016084084_100010147678 [0,1,0,0,1,0|1,1,0]=4 11852 B14R1.3995 COc1c(cccc1S[C@H](C)CO)F 62a_100009816759_100016084084 [0,1,0,0,1,0|1,1,0]=4 11853 B14R1.3995 COc1c(cccc1S[C@H](C)CO)F 62a_100016084084_100009816759 [0,1,0,0,1,0|1,1,0]=4 11854 B14R1.3995 COc1c(cccc1S[C@H](C)CO)N 62a_100011935253_100016084084 [0,1,0,0,1,0|1,1,0]=4 11855 B14R1.3995 COc1c(cccc1S[C@H](C)CO)O 62a_100016084084_100010234590 [0,1,0,0,1,0|1,1,0]=4 11856 B14R1.3995 COc1c(ccnc1Cl)OC(C)CO 34a_100000104430_100012180447 [0,1,0,0,1,0|2,0,0]=4 11857 B14R1.3995 CSc1c(cccc1OC(C)CO)C 34a_200000099257_100012180447 [0,1,0,0,1,0|1,1,0]=4 11858 B14R1.3995 CSc1c(cccc1OC(C)CO)C 7a_200000099257_100012180447 [0,1,0,0,1,0|1,1,0]=4 11859 B16R1.696 C=CC(O)COCc1ccccc1OCC 34a_100000708577_100000730141 [0,1,0,0,0,1|1,0,1]=4 11860 B16R1.696 C=CC(O)COCc1ccccc1OCC 7a_100000708577_100000730141 [0,1,0,0,0,1|1,0,1]=4 11861 B16R1.696 CCOc1ccccc1CCNC(C)CO 2230a_100000750806_100012180447 [0,1,0,0,0,1|2,0,0]=4 11862 B16R1.696 CCOc1ccccc1CCNC(C)CO 34a_100000750806_100012180447 [0,1,0,0,0,1|2,0,0]=4 11863 B16R1.696 CCOc1ccccc1CCOC(C)CO 34a_100011754905_100012180447 [0,1,0,0,0,1|2,0,0]=4 11864 B16R1.696 CCOc1ccccc1CCOC(C)CO 7a_100011754905_100012180447 [0,1,0,0,0,1|2,0,0]=4 11865 B16R1.696 CCOc1ccccc1CNCC(C)CO 207a_100000744482_100000169843 [0,1,0,0,0,1|2,0,0]=4 11866 B16R1.696 CCOc1ccccc1CNCC(O)CC 207a_100011218483_100000169843 [0,1,0,0,0,1|2,0,0]=4 11867 B16R1.696 CCOc1ccccc1CNCC(O)CC 270004a_100011218483_100000169843 [0,1,0,0,0,1|2,0,0]=4 11868 B16R1.696 CCOc1ccccc1CNC[C@@H](F)CO 207a_100015665980_100000169843 [0,1,0,0,0,1|2,0,0]=4 11869 B16R1.696 CCOc1ccccc1CNC[C@@H](F)CO 270004a_100015665980_100000169843 [0,1,0,0,0,1|2,0,0]=4 11870 B16R1.696 CCOc1ccccc1CNC[C@H](O)CO 207a_100020644852_100000169843 [0,1,0,0,0,1|1,0,0]=3 11871 B16R1.696 CCOc1ccccc1COCC(C)CC 34a_100000708577_100000748023 [0,1,0,0,0,1|2,0,0]=4 11872 B16R1.696 CCOc1ccccc1COCC(C)CC 7a_100000708577_100000748023 [0,1,0,0,0,1|2,0,0]=4 11873 B16R1.696 CCOc1ccccc1COCC(O)CC 34a_100000708577_100011218378 [0,1,0,0,0,1|1,0,0]=3 11874 B16R1.696 CCOc1ccccc1COCC(O)CC 7a_100000708577_100011218378 [0,1,0,0,0,1|1,0,0]=3 11875 B16R1.696 CCOc1ccccc1COCC(O)CO 34a_100000708577_100011219619 [0,1,0,0,0,1|0,0,0]=2 11876 B16R1.696 CCOc1ccccc1COCC(O)CO 7a_100000708577_100011219619 [0,1,0,0,0,1|0,0,0]=2 11877 B16R1.696 CCOc1ccccc1COC[C@@H](C)CC 34a_100000708577_100009816398 [0,1,0,0,0,1|2,0,0]=4 11878 B16R1.696 CCOc1ccccc1COC[C@@H](C)CC 7a_100000708577_100009816398 [0,1,0,0,0,1|2,0,0]=4 11879 B16R1.696 CCOc1ccccc1COC[C@@H](C)CO 34a_100000708577_100000059175 [0,1,0,0,0,1|1,0,0]=3 11880 B16R1.696 CCOc1ccccc1COC[C@@H](C)CO 7a_100000708577_100000059175 [0,1,0,0,0,1|1,0,0]=3 11881 B16R1.696 CCOc1ccccc1COC[C@@H](O)CF 34a_100000708577_100015614560 [0,1,0,0,0,1|1,0,0]=3 11882 B16R1.696 CCOc1ccccc1COC[C@@H](O)CF 7a_100000708577_100015614560 [0,1,0,0,0,1|1,0,0]=3 11883 B16R1.696 CCOc1ccccc1COC[C@@H](O)CO 34a_100000708577_100009815848 [0,1,0,0,0,1|0,0,0]=2 11884 B16R1.696 CCOc1ccccc1COC[C@@H](O)CO 7a_100000708577_100009815848 [0,1,0,0,0,1|0,0,0]=2 11885 B16R1.696 CCOc1ccccc1NN=CC(O)CO 4a_200020603589_100000033539 [0,1,0,0,0,1|1,0,1]=4 11886 B16R1.696 CCOc1ccccc1OCCC(=O)CO 1458a_100000210174_100000764113 [0,1,0,0,0,1|0,0,2]=4 11887 B16R1.696 CCOc1cccnc1CNC[C@H](O)CO 207a_100020644852_100009876934 [0,1,0,0,0,1|2,0,0]=4 11888 B16R1.696 CCOc1ncccc1CNC[C@H](O)CO 207a_100020644852_100011290805 [0,1,0,0,0,1|2,0,0]=4 11889 B16R1.948 C#Cc1ccccc1COCC(O)COC 34a_100000054652_100011215053 [0,1,0,0,0,1|1,0,1]=4 11890 B16R1.948 C#Cc1ccccc1COCC(O)COC 7a_100000054652_100011215053 [0,1,0,0,0,1|1,0,1]=4 11891 B16R1.948 C=CCC(C)COCc1ccccc1OC 34a_100009832082_100000210004 [0,1,0,0,0,1|2,0,0]=4 11892 B16R1.948 C=CCC(C)COCc1ccccc1OC 7a_100009832082_100000210004 [0,1,0,0,0,1|2,0,0]=4 11893 B16R1.948 C=CC[C@@H](N)COCc1ccccc1OC 34a_100020615467_100000210004 [0,1,0,0,0,1|2,0,0]=4 11894 B16R1.948 C=Cc1ccccc1COCC(O)COC 34a_200010883148_100011215053 [0,1,0,0,0,1|1,0,1]=4 11895 B16R1.948 C=Cc1ccccc1COCC(O)COC 7a_200010883148_100011215053 [0,1,0,0,0,1|1,0,1]=4 11896 B16R1.948 CCCC(C)COCc1ccccc1OC 34a_100000211301_100011216630 [0,1,0,0,0,1|2,0,0]=4 11897 B16R1.948 CCCC(C)COCc1ccccc1OC 34a_100000688023_100000210004 [0,1,0,0,0,1|2,0,0]=4 11898 B16R1.948 CCCC(C)COCc1ccccc1OC 7a_100000688023_100000210004 [0,1,0,0,0,1|2,0,0]=4 11899 B16R1.948 CCC[C@H](N)COCc1ccccc1OC 34a_100000732646_100000210004 [0,1,0,0,0,1|2,0,0]=4 11900 B16R1.948 CCc1ccccc1CNCC(O)COC 207a_100000756049_100011219594 [0,1,0,0,0,1|2,0,0]=4 11901 B16R1.948 CCc1ccccc1CNCC(O)COC 270004a_100000756049_100011219594 [0,1,0,0,0,1|2,0,0]=4 11902 B16R1.948 CCc1ccccc1COCC(O)COC 34a_100011663872_100011215053 [0,1,0,0,0,1|1,0,0]=3 11903 B16R1.948 CCc1ccccc1COCC(O)COC 7a_100011663872_100011215053 [0,1,0,0,0,1|1,0,0]=3 11904 B16R1.948 CCc1ccccc1COC[C@@H](O)CC#N 7a_100011663872_100000001066 [0,1,0,0,0,1|2,0,0]=4 11905 B16R1.948 COCC(=O)CCOc1ccccc1OC 1458a_100000210968_100000188471 [0,1,0,0,0,1|0,0,2]=4 11906 B16R1.948 COCC(C)NCCc1ccccc1OC 2230a_100000211851_100000765312 [0,1,0,0,0,1|2,0,0]=4 11907 B16R1.948 COCC(C)NCCc1ccccc1OC 270004a_100000211851_100000749346 [0,1,0,0,0,1|2,0,0]=4 11908 B16R1.948 COCC(C)NCCc1ccccc1OC 34a_100000211851_100000765312 [0,1,0,0,0,1|2,0,0]=4 11909 B16R1.948 COCC(C)OCCc1ccccc1OC 34a_100011218620_100000765312 [0,1,0,0,0,1|2,0,0]=4 11910 B16R1.948 COCC(C)OCCc1ccccc1OC 7a_100011218620_100000765312 [0,1,0,0,0,1|2,0,0]=4 11911 B16R1.948 COCC(C)SCCc1ccccc1OC 62a_100000765312_100011713687 [0,1,0,0,0,1|2,0,0]=4 11912 B16R1.948 COCC(C)SCCc1ccccc1OC 62a_100011713687_100000765312 [0,1,0,0,0,1|2,0,0]=4 11913 B16R1.948 COCC(N)COCc1ccccc1OC 34a_100000724102_100000210004 [0,1,0,0,0,1|1,0,0]=3 11914 B16R1.948 COCC(N)COCc1ccccc1SC 34a_100000724102_100000699184 [0,1,0,0,0,1|1,1,0]=4 11915 B16R1.948 COCC(N)COCc1cccnc1OC 34a_100000724102_100020631285 [0,1,0,0,0,1|2,0,0]=4 11916 B16R1.948 COCC(O)CNCc1ccccc1OC 207a_100000756049_100000169842 [0,1,0,0,0,1|1,0,0]=3 11917 B16R1.948 COCC(O)CNCc1ccccc1OC 2230a_100000756049_100000210004 [0,1,0,0,0,1|1,0,0]=3 11918 B16R1.948 COCC(O)CNCc1ccccc1OC 270004a_100000756049_100000169842 [0,1,0,0,0,1|1,0,0]=3 11919 B16R1.948 COCC(O)CNCc1ccccc1OC 34a_100000188900_100011215053 [0,1,0,0,0,1|1,0,0]=3 11920 B16R1.948 COCC(O)CNCc1ccccc1OC 34a_100000756049_100000210004 [0,1,0,0,0,1|1,0,0]=3 11921 B16R1.948 COCC(O)CNCc1ccccc1SC 207a_100000756049_100011217347 [0,1,0,0,0,1|1,1,0]=4 11922 B16R1.948 COCC(O)CNCc1ccccc1SC 2230a_100000756049_100000699184 [0,1,0,0,0,1|1,1,0]=4 11923 B16R1.948 COCC(O)CNCc1ccccc1SC 270004a_100000756049_100011217347 [0,1,0,0,0,1|1,1,0]=4 11924 B16R1.948 COCC(O)CNCc1ccccc1SC 34a_100000756049_100000699184 [0,1,0,0,0,1|1,1,0]=4 11925 B16R1.948 COCC(O)CNCc1ccccc1SC 34a_102495365025_100011215053 [0,1,0,0,0,1|1,1,0]=4 11926 B16R1.948 COCC(O)CNCc1cccnc1OC 207a_100000756049_100011290804 [0,1,0,0,0,1|2,0,0]=4 11927 B16R1.948 COCC(O)CNCc1cccnc1OC 2230a_100000756049_100020631285 [0,1,0,0,0,1|2,0,0]=4 11928 B16R1.948 COCC(O)CNCc1cccnc1OC 270004a_100000756049_100011290804 [0,1,0,0,0,1|2,0,0]=4 11929 B16R1.948 COCC(O)CNCc1cccnc1OC 34a_100000756049_100020631285 [0,1,0,0,0,1|2,0,0]=4 11930 B16R1.948 COCC(O)CNCc1ccncc1OC 207a_100000756049_100011361505 [0,1,0,0,0,1|2,0,0]=4 11931 B16R1.948 COCC(O)CNCc1ccncc1OC 2230a_100000756049_100020635607 [0,1,0,0,0,1|2,0,0]=4 11932 B16R1.948 COCC(O)CNCc1ccncc1OC 270004a_100000756049_100011361505 [0,1,0,0,0,1|2,0,0]=4 11933 B16R1.948 COCC(O)CNCc1cnccc1OC 207a_100000756049_200011997045 [0,1,0,0,0,1|2,0,0]=4 11934 B16R1.948 COCC(O)CNCc1cnccc1OC 270004a_100000756049_200011997045 [0,1,0,0,0,1|2,0,0]=4 11935 B16R1.948 COCC(O)CNCc1ncccc1OC 207a_100000756049_100011912573 [0,1,0,0,0,1|2,0,0]=4 11936 B16R1.948 COCC(O)CNCc1ncccc1OC 270004a_100000756049_100011912573 [0,1,0,0,0,1|2,0,0]=4 11937 B16R1.948 COCC(O)COCc1ccccc1C#N 34a_200011269968_100011215053 [0,1,0,0,0,1|2,0,0]=4 11938 B16R1.948 COCC(O)COCc1ccccc1C#N 7a_200011269968_100011215053 [0,1,0,0,0,1|2,0,0]=4 11939 B16R1.948 COCC(O)COCc1ccccc1CBr 34a_100009816955_100011215053 [0,1,0,0,0,1|2,0,0]=4 11940 B16R1.948 COCC(O)COCc1ccccc1CBr 7a_100009816955_100011215053 [0,1,0,0,0,1|2,0,0]=4 11941 B16R1.948 COCC(O)COCc1ccccc1CN 34a_100000743596_100011215053 [0,1,0,0,0,1|2,0,0]=4 11942 B16R1.948 COCC(O)COCc1ccccc1OC 34a_100000211301_100011215053 [0,1,0,0,0,1|0,0,0]=2 11943 B16R1.948 COCC(O)COCc1ccccc1SC 34a_100000699167_100011215053 [0,1,0,0,0,1|0,1,0]=3 11944 B16R1.948 COCC(O)COCc1cccnc1OC 34a_100000717863_100011215053 [0,1,0,0,0,1|1,0,0]=3 11945 B16R1.948 COCC(O)COCc1ncccc1OC 34a_100011998681_100011215053 [0,1,0,0,0,1|1,0,0]=3 11946 B16R1.948 COCC(O)CSCc1ccccc1OC 62a_100000210004_100011215053 [0,1,0,0,0,1|0,1,0]=3 11947 B16R1.948 COCC(O)CSCc1ccccc1OC 62a_100011215053_100000210004 [0,1,0,0,0,1|0,1,0]=3 11948 B16R1.948 COCC(O)CSCc1ccccc1SC 62a_100000699184_100011215053 [0,1,0,0,0,1|0,2,0]=4 11949 B16R1.948 COCC(O)CSCc1ccccc1SC 62a_100011215053_100000699184 [0,1,0,0,0,1|0,2,0]=4 11950 B16R1.948 COCC(O)CSCc1cccnc1OC 62a_100011215053_100020631285 [0,1,0,0,0,1|1,1,0]=4 11951 B16R1.948 COCC(O)CSCc1cccnc1OC 62a_100020631285_100011215053 [0,1,0,0,0,1|1,1,0]=4 11952 B16R1.948 COCC(O)CSCc1ccncc1OC 62a_100011215053_100020635607 [0,1,0,0,0,1|1,1,0]=4 11953 B16R1.948 COCC(O)CSCc1ccncc1OC 62a_100020635607_100011215053 [0,1,0,0,0,1|1,1,0]=4 11954 B16R1.948 COCN(C)CCOc1ccccc1OC 2230a_100000228778_100000766300 [0,1,0,0,0,1|2,0,0]=4 11955 B16R1.948 COCN(C)CCOc1ccccc1OC 269982a_100000228778_100000766300 [0,1,0,0,0,1|2,0,0]=4 11956 B16R1.948 COC[C@@H](C)NCCc1ccccc1OC 2230a_100000764878_100011713687 [0,1,0,0,0,1|2,0,0]=4 11957 B16R1.948 COC[C@@H](C)NCCc1ccccc1OC 270004a_100000764878_100011713418 [0,1,0,0,0,1|2,0,0]=4 11958 B16R1.948 COC[C@@H](C)OCCc1ccccc1OC 34a_100011934205_100011713687 [0,1,0,0,0,1|2,0,0]=4 11959 B16R1.948 COc1ccccc1CCNC(C)CCO 2230a_100000211851_100009893172 [0,1,0,0,0,1|2,0,0]=4 11960 B16R1.948 COc1ccccc1CCNC(C)CCO 34a_100000211851_100009893172 [0,1,0,0,0,1|2,0,0]=4 11961 B16R1.948 COc1ccccc1CCN[C@H](C)CCO 2230a_100000706166_100011713687 [0,1,0,0,0,1|2,0,0]=4 11962 B16R1.948 COc1ccccc1CCN[C@H](C)CCO 270004a_100000706166_100011713418 [0,1,0,0,0,1|2,0,0]=4 11963 B16R1.948 COc1ccccc1CCN[C@H](C)CCO 34a_100000706166_100011713687 [0,1,0,0,0,1|2,0,0]=4 11964 B16R1.948 COc1ccccc1CCOC(C)CCO 34a_100011218620_100009893172 [0,1,0,0,0,1|2,0,0]=4 11965 B16R1.948 COc1ccccc1CCOC(C)CCO 7a_100011218620_100009893172 [0,1,0,0,0,1|2,0,0]=4 11966 B16R1.948 COc1ccccc1CCSC(C)CCO 62a_100009893172_100011713687 [0,1,0,0,0,1|2,0,0]=4 11967 B16R1.948 COc1ccccc1CCSC(C)CCO 62a_100011713687_100009893172 [0,1,0,0,0,1|2,0,0]=4 11968 B16R1.948 COc1ccccc1COCC(=O)CCO 1458a_100012176948_100000211926 [0,1,0,0,0,1|0,0,2]=4 11969 B16R1.948 COc1ccccc1COCC(=O)NCO 34a_100000211301_100000185155 [0,1,0,0,0,1|0,0,2]=4 11970 B16R1.948 COc1ccccc1COCC(C)CCN 34a_106354213184_100000210004 [0,1,0,0,0,1|2,0,0]=4 11971 B16R1.948 COc1ccccc1CSC[C@@H](O)CC#N 62a_100000001066_100000210004 [0,1,0,0,0,1|1,1,0]=4 11972 B16R1.948 COc1ccccc1CSC[C@@H](O)CC#N 62a_100000210004_100000001066 [0,1,0,0,0,1|1,1,0]=4 11973 B16R1.948 COc1ccccc1OCCC(=O)CCO 1458a_100000182669_100000211926 [0,1,0,0,0,1|0,0,2]=4 11974 B16R1.948 COc1ccccc1OCCC(=O)CCO 1458a_100011216618_100000188471 [0,1,0,0,0,1|0,0,2]=4 11975 B16R1.948 COc1ccccc1OCCN(C)CCO 2230a_100000210263_100000188471 [0,1,0,0,0,1|2,0,0]=4 11976 B16R1.948 COc1ccccc1OCCN(C)CCO 2230a_100000228778_100000211926 [0,1,0,0,0,1|2,0,0]=4 11977 B16R1.948 COc1ccccc1OCCN(C)CCO 269982a_100000210263_100000188471 [0,1,0,0,0,1|2,0,0]=4 11978 B16R1.948 COc1ccccc1OCCN(C)CCO 269982a_100000228778_100000211926 [0,1,0,0,0,1|2,0,0]=4 11979 B16R1.1368 CCC(C)C(=O)COc1ccccc1OC 1458a_100000182946_100000758301 [0,1,0,0,0,1|2,0,0]=4 11980 B16R1.1368 CCC(C)C(C)OCc1ccccc1OC 7a_100011215189_100000210004 [0,1,0,0,0,1|2,0,0]=4 11981 B16R1.1368 CCC(O)C(=O)CCc1ccccc1OC 1458a_100011196387_100011713687 [0,1,0,0,0,1|2,0,0]=4 11982 B16R1.1368 COc1ccccc1CCC(=O)C(O)CO 1458a_100011215603_100011713687 [0,1,0,0,0,1|1,0,0]=3 11983 B16R1.1368 COc1ccccc1CCN(C)C(C)CO 2230a_100000231131_100012180447 [0,1,0,0,0,1|2,0,0]=4 11984 B16R1.1368 COc1ccccc1CCN(C)C(C)CO 2230a_100000693034_100011713687 [0,1,0,0,0,1|2,0,0]=4 11985 B16R1.1368 COc1ccccc1CCN(C)C(C)CO 269982a_100000693034_100011713687 [0,1,0,0,0,1|2,0,0]=4 11986 B16R1.1368 COc1ccccc1CCN(C)C(C)CO 270004a_100000693034_100011713418 [0,1,0,0,0,1|2,0,0]=4 11987 B16R1.1368 COc1ccccc1CCN(C)[C@H](C)CO 269982a_100000231131_100016084084 [0,1,0,0,0,1|2,0,0]=4 11988 B16R1.1368 COc1ccccc1CNC(=O)C(O)CO 240690a_100000188900_100011215603 [0,1,0,0,0,1|1,0,1]=4 11989 B16R1.1368 COc1ccccc1NNC(=O)C(O)CO 22a_100000751209_100011215603 [0,1,0,0,0,1|1,0,1]=4 11990 B16R1.3262 CC(C)c1ccccc1CNC[C@H](O)CO 207a_100020644852_100011361515 [0,1,0,0,0,1|2,0,0]=4 11991 B16R1.3262 CC(C)c1cccnc1COCC(O)CO 34a_200009878718_100011219619 [0,1,0,0,0,1|2,0,0]=4 11992 B16R1.3262 CC(C)c1cccnc1COC[C@@H](O)CO 34a_200009878718_100009815848 [0,1,0,0,0,1|2,0,0]=4 11993 B16R1.3262 CN(C)c1ccccc1CNC[C@H](O)CO 207a_100020644852_100000750901 [0,1,0,0,0,1|2,0,0]=4 11994 B16R1.3262 O=[N+]([O-])c1ccccc1COCC(O)CO 7a_100011218404_100011219619 [0,1,0,0,0,1|2,0,0]=4 11995 B16R1.3262 O=[N+]([O-])c1ccccc1COC[C@@H](O)CO 7a_100011218404_100009815848 [0,1,0,0,0,1|2,0,0]=4 11996 B16R1.3911 COc1ccccc1CNCC(O)C(C)C 207a_100000759067_100000169842 [0,1,0,0,0,1|2,0,0]=4 11997 B16R1.3911 COc1ccccc1CNCC(O)C(C)C 2230a_100000759067_100000210004 [0,1,0,0,0,1|2,0,0]=4 11998 B16R1.3911 COc1ccccc1CNCC(O)C(C)C 270004a_100000759067_100000169842 [0,1,0,0,0,1|2,0,0]=4 11999 B16R1.3911 COc1ccccc1CNCC(O)C(C)C 34a_100000759067_100000210004 [0,1,0,0,0,1|2,0,0]=4 12000 B16R1.3911 COc1ccccc1COC[C@H](N)C(C)C 34a_100011830312_100000210004 [0,1,0,0,0,1|2,0,0]=4 12001 B16R1.3911 COc1ccccc1OCCC(=O)C(O)O 1458a_100000233687_100000188471 [0,1,0,0,0,1|0,0,2]=4 12002 B16R1.3911 COc1ccccc1OCCC(=O)[C@@H](C)O 1458a_100000717761_100000188471 [0,1,0,0,0,1|0,0,2]=4 12003 B16R1.3911 COc1ccccc1OCCC(=O)[C@H](C)O 1458a_217856618621_100000188471 [0,1,0,0,0,1|0,0,2]=4 12004 B16R1.4324 C=CC(O)COCc1cc(ccc1OC)Br 34a_100000204679_100000730141 [0,1,0,0,0,1|1,0,1]=4 12005 B16R1.4324 C=CC(O)COCc1cc(ccc1OC)Br 7a_100000204679_100000730141 [0,1,0,0,0,1|1,0,1]=4 12006 B16R1.4324 C=CC(O)COCc1cc(ccc1OC)C 34a_200000246444_100000730141 [0,1,0,0,0,1|1,0,1]=4 12007 B16R1.4324 C=CC(O)COCc1cc(ccc1OC)C 7a_200000246444_100000730141 [0,1,0,0,0,1|1,0,1]=4 12008 B16R1.4324 C=CC(O)COCc1cc(ccc1OC)F 34a_100011266440_100000730141 [0,1,0,0,0,1|1,0,1]=4 12009 B16R1.4324 C=CC(O)COCc1cc(ccc1OC)F 7a_100011266440_100000730141 [0,1,0,0,0,1|1,0,1]=4 12010 B16R1.4324 C=CC(O)COCc1cc(ccc1OC)I 34a_200137411115_100000730141 [0,1,0,0,0,1|1,0,1]=4 12011 B16R1.4324 C=CC(O)COCc1cc(ccc1OC)I 7a_200137411115_100000730141 [0,1,0,0,0,1|1,0,1]=4 12012 B16R1.4324 CCC(C)COCc1cc(ccc1OC)Br 34a_100000204679_100000748023 [0,1,0,0,0,1|2,0,0]=4 12013 B16R1.4324 CCC(C)COCc1cc(ccc1OC)Br 7a_100000204679_100000748023 [0,1,0,0,0,1|2,0,0]=4 12014 B16R1.4324 CCC(C)COCc1cc(ccc1OC)C 34a_200000246444_100000748023 [0,1,0,0,0,1|2,0,0]=4 12015 B16R1.4324 CCC(C)COCc1cc(ccc1OC)C 7a_200000246444_100000748023 [0,1,0,0,0,1|2,0,0]=4 12016 B16R1.4324 CCC(C)COCc1cc(ccc1OC)F 34a_100011266440_100000748023 [0,1,0,0,0,1|2,0,0]=4 12017 B16R1.4324 CCC(C)COCc1cc(ccc1OC)F 7a_100011266440_100000748023 [0,1,0,0,0,1|2,0,0]=4 12018 B16R1.4324 CCC(C)COCc1cc(ccc1OC)I 34a_200137411115_100000748023 [0,1,0,0,0,1|2,0,0]=4 12019 B16R1.4324 CCC(C)COCc1cc(ccc1OC)I 7a_200137411115_100000748023 [0,1,0,0,0,1|2,0,0]=4 12020 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)Br 207a_100011218483_100000170026 [0,1,0,0,0,1|2,0,0]=4 12021 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)Br 2230a_100011218483_100000204665 [0,1,0,0,0,1|2,0,0]=4 12022 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)Br 270004a_100011218483_100000170026 [0,1,0,0,0,1|2,0,0]=4 12023 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)Br 34a_100000690498_100011218378 [0,1,0,0,0,1|2,0,0]=4 12024 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)C 207a_100011218483_100000203738 [0,1,0,0,0,1|2,0,0]=4 12025 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)C 2230a_100011218483_100000199068 [0,1,0,0,0,1|2,0,0]=4 12026 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)C 270004a_100011218483_100000203738 [0,1,0,0,0,1|2,0,0]=4 12027 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)Cl 207a_100011218483_100000188328 [0,1,0,0,0,1|2,0,0]=4 12028 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)Cl 2230a_100000740580_100011218378 [0,1,0,0,0,1|2,0,0]=4 12029 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)Cl 2230a_100011218483_100000209806 [0,1,0,0,0,1|2,0,0]=4 12030 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)Cl 270004a_100011218483_100000188328 [0,1,0,0,0,1|2,0,0]=4 12031 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)Cl 34a_100000740580_100011218378 [0,1,0,0,0,1|2,0,0]=4 12032 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)F 207a_100011218483_100000722865 [0,1,0,0,0,1|2,0,0]=4 12033 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)F 2230a_100011218483_100011830354 [0,1,0,0,0,1|2,0,0]=4 12034 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)F 270004a_100011218483_100000722865 [0,1,0,0,0,1|2,0,0]=4 12035 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)F 34a_100011199032_100011218378 [0,1,0,0,0,1|2,0,0]=4 12036 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)I 207a_100011218483_100011266407 [0,1,0,0,0,1|2,0,0]=4 12037 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)I 270004a_100011218483_100011266407 [0,1,0,0,0,1|2,0,0]=4 12038 B16R1.4324 CCC(O)CNCc1cc(ccc1OC)O 207a_100011218483_100000067581 [0,1,0,0,0,1|2,0,0]=4 12039 B16R1.4324 CCC(O)COCc1cc(ccc1OC)Br 34a_100000204679_100011218378 [0,1,0,0,0,1|1,0,0]=3 12040 B16R1.4324 CCC(O)COCc1cc(ccc1OC)Br 7a_100000204679_100011218378 [0,1,0,0,0,1|1,0,0]=3 12041 B16R1.4324 CCC(O)COCc1cc(ccc1OC)C 34a_200000246444_100011218378 [0,1,0,0,0,1|1,0,0]=3 12042 B16R1.4324 CCC(O)COCc1cc(ccc1OC)C 7a_200000246444_100011218378 [0,1,0,0,0,1|1,0,0]=3 12043 B16R1.4324 CCC(O)COCc1cc(ccc1OC)F 34a_100011266440_100011218378 [0,1,0,0,0,1|1,0,0]=3 12044 B16R1.4324 CCC(O)COCc1cc(ccc1OC)F 7a_100011266440_100011218378 [0,1,0,0,0,1|1,0,0]=3 12045 B16R1.4324 CCC(O)COCc1cc(ccc1OC)I 34a_200137411115_100011218378 [0,1,0,0,0,1|1,0,0]=3 12046 B16R1.4324 CCC(O)COCc1cc(ccc1OC)I 7a_200137411115_100011218378 [0,1,0,0,0,1|1,0,0]=3 12047 B16R1.4324 CCC(O)COCc1cc(cnc1OC)Br 34a_100000695684_100011218378 [0,1,0,0,0,1|2,0,0]=4 12048 B16R1.4324 CCC(O)COCc1cc(cnc1OC)F 34a_100011997213_100011218378 [0,1,0,0,0,1|2,0,0]=4 12049 B16R1.4324 CCC(O)CSCc1cc(ccc1OC)Br 62a_100000204665_100011218378 [0,1,0,0,0,1|1,1,0]=4 12050 B16R1.4324 CCC(O)CSCc1cc(ccc1OC)Br 62a_100011218378_100000204665 [0,1,0,0,0,1|1,1,0]=4 12051 B16R1.4324 CCC(O)CSCc1cc(ccc1OC)C 62a_100000199068_100011218378 [0,1,0,0,0,1|1,1,0]=4 12052 B16R1.4324 CCC(O)CSCc1cc(ccc1OC)C 62a_100011218378_100000199068 [0,1,0,0,0,1|1,1,0]=4 12053 B16R1.4324 CCC(O)CSCc1cc(ccc1OC)Cl 62a_100000209806_100011218378 [0,1,0,0,0,1|1,1,0]=4 12054 B16R1.4324 CCC(O)CSCc1cc(ccc1OC)Cl 62a_100011218378_100000209806 [0,1,0,0,0,1|1,1,0]=4 12055 B16R1.4324 CCC(O)CSCc1cc(ccc1OC)F 62a_100011218378_100011830354 [0,1,0,0,0,1|1,1,0]=4 12056 B16R1.4324 CCC(O)CSCc1cc(ccc1OC)F 62a_100011830354_100011218378 [0,1,0,0,0,1|1,1,0]=4 12057 B16R1.4324 CC[C@H](C)COCc1cc(ccc1OC)Br 34a_100000204679_100009816398 [0,1,0,0,0,1|2,0,0]=4 12058 B16R1.4324 CC[C@H](C)COCc1cc(ccc1OC)Br 7a_100000204679_100009816398 [0,1,0,0,0,1|2,0,0]=4 12059 B16R1.4324 CC[C@H](C)COCc1cc(ccc1OC)Br 7a_100009816381_100000204665 [0,1,0,0,0,1|2,0,0]=4 12060 B16R1.4324 CC[C@H](C)COCc1cc(ccc1OC)C 34a_200000246444_100009816398 [0,1,0,0,0,1|2,0,0]=4 12061 B16R1.4324 CC[C@H](C)COCc1cc(ccc1OC)C 7a_100009816381_100000199068 [0,1,0,0,0,1|2,0,0]=4 12062 B16R1.4324 CC[C@H](C)COCc1cc(ccc1OC)C 7a_200000246444_100009816398 [0,1,0,0,0,1|2,0,0]=4 12063 B16R1.4324 CC[C@H](C)COCc1cc(ccc1OC)Cl 7a_100009816381_100000209806 [0,1,0,0,0,1|2,0,0]=4 12064 B16R1.4324 CC[C@H](C)COCc1cc(ccc1OC)F 34a_100011266440_100009816398 [0,1,0,0,0,1|2,0,0]=4 12065 B16R1.4324 CC[C@H](C)COCc1cc(ccc1OC)F 7a_100009816381_100011830354 [0,1,0,0,0,1|2,0,0]=4 12066 B16R1.4324 CC[C@H](C)COCc1cc(ccc1OC)F 7a_100011266440_100009816398 [0,1,0,0,0,1|2,0,0]=4 12067 B16R1.4324 CC[C@H](C)COCc1cc(ccc1OC)I 34a_200137411115_100009816398 [0,1,0,0,0,1|2,0,0]=4 12068 B16R1.4324 CC[C@H](C)COCc1cc(ccc1OC)I 7a_200137411115_100009816398 [0,1,0,0,0,1|2,0,0]=4 12069 B16R1.4324 CCc1ccc(cc1COCC(O)CC)Br 34a_100010766240_100011218378 [0,1,0,0,0,1|2,0,0]=4 12070 B16R1.4324 CCc1ccc(cc1COCC(O)CC)Br 7a_100010766240_100011218378 [0,1,0,0,0,1|2,0,0]=4 12071 B16R1.4324 CCc1ccc(cc1COCC(O)CO)Br 34a_100010766240_100011219619 [0,1,0,0,0,1|1,0,0]=3 12072 B16R1.4324 CCc1ccc(cc1COCC(O)CO)Br 7a_100010766240_100011219619 [0,1,0,0,0,1|1,0,0]=3 12073 B16R1.4324 CCc1ccc(cc1COC[C@@H](C)CO)Br 34a_100010766240_100000059175 [0,1,0,0,0,1|2,0,0]=4 12074 B16R1.4324 CCc1ccc(cc1COC[C@@H](C)CO)Br 7a_100010766240_100000059175 [0,1,0,0,0,1|2,0,0]=4 12075 B16R1.4324 CCc1ccc(cc1COC[C@@H](O)CF)Br 34a_100010766240_100015614560 [0,1,0,0,0,1|2,0,0]=4 12076 B16R1.4324 CCc1ccc(cc1COC[C@@H](O)CF)Br 7a_100010766240_100015614560 [0,1,0,0,0,1|2,0,0]=4 12077 B16R1.4324 CCc1ccc(cc1COC[C@@H](O)CO)Br 34a_100010766240_100009815848 [0,1,0,0,0,1|1,0,0]=3 12078 B16R1.4324 CCc1ccc(cc1COC[C@@H](O)CO)Br 7a_100010766240_100009815848 [0,1,0,0,0,1|1,0,0]=3 12079 B16R1.4324 COc1ccc(cc1CCNC(C)CO)Br 2230a_100000763266_100012180447 [0,1,0,0,0,1|2,0,0]=4 12080 B16R1.4324 COc1ccc(cc1CCNC(C)CO)Br 34a_100000763266_100012180447 [0,1,0,0,0,1|2,0,0]=4 12081 B16R1.4324 COc1ccc(cc1CNCC(C)CO)Br 207a_100000744482_100000170026 [0,1,0,0,0,1|2,0,0]=4 12082 B16R1.4324 COc1ccc(cc1CNCC(C)CO)Br 34a_100000744482_100000204665 [0,1,0,0,0,1|2,0,0]=4 12083 B16R1.4324 COc1ccc(cc1CNCC(C)CO)C 207a_100000744482_100000203738 [0,1,0,0,0,1|2,0,0]=4 12084 B16R1.4324 COc1ccc(cc1CNCC(C)CO)C 34a_100000744482_100000199068 [0,1,0,0,0,1|2,0,0]=4 12085 B16R1.4324 COc1ccc(cc1CNCC(C)CO)Cl 207a_100000744482_100000188328 [0,1,0,0,0,1|2,0,0]=4 12086 B16R1.4324 COc1ccc(cc1CNCC(C)CO)Cl 34a_100000744482_100000209806 [0,1,0,0,0,1|2,0,0]=4 12087 B16R1.4324 COc1ccc(cc1CNCC(C)CO)F 207a_100000744482_100000722865 [0,1,0,0,0,1|2,0,0]=4 12088 B16R1.4324 COc1ccc(cc1CNCC(C)CO)F 34a_100000744482_100011830354 [0,1,0,0,0,1|2,0,0]=4 12089 B16R1.4324 COc1ccc(cc1CNCC(C)CO)I 207a_100000744482_100011266407 [0,1,0,0,0,1|2,0,0]=4 12090 B16R1.4324 COc1ccc(cc1CNCC(C)CO)O 207a_100000744482_100000067581 [0,1,0,0,0,1|2,0,0]=4 12091 B16R1.4324 COc1ccc(cc1CNCC(O)CO)Br 34a_100000690498_100011219619 [0,1,0,0,0,1|1,0,0]=3 12092 B16R1.4324 COc1ccc(cc1CNCC(O)CO)Cl 2230a_100000740580_100011219619 [0,1,0,0,0,1|1,0,0]=3 12093 B16R1.4324 COc1ccc(cc1CNCC(O)CO)Cl 34a_100000740580_100011219619 [0,1,0,0,0,1|1,0,0]=3 12094 B16R1.4324 COc1ccc(cc1CNCC(O)CO)F 34a_100011199032_100011219619 [0,1,0,0,0,1|1,0,0]=3 12095 B16R1.4324 COc1ccc(cc1CNC[C@@H](C)CO)Br 34a_100000690498_100000059175 [0,1,0,0,0,1|2,0,0]=4 12096 B16R1.4324 COc1ccc(cc1CNC[C@@H](C)CO)Cl 2230a_100000740580_100000059175 [0,1,0,0,0,1|2,0,0]=4 12097 B16R1.4324 COc1ccc(cc1CNC[C@@H](C)CO)Cl 34a_100000740580_100000059175 [0,1,0,0,0,1|2,0,0]=4 12098 B16R1.4324 COc1ccc(cc1CNC[C@@H](C)CO)F 34a_100011199032_100000059175 [0,1,0,0,0,1|2,0,0]=4 12099 B16R1.4324 COc1ccc(cc1CNC[C@@H](F)CO)Br 207a_100015665980_100000170026 [0,1,0,0,0,1|2,0,0]=4 12100 B16R1.4324 COc1ccc(cc1CNC[C@@H](F)CO)Br 270004a_100015665980_100000170026 [0,1,0,0,0,1|2,0,0]=4 12101 B16R1.4324 COc1ccc(cc1CNC[C@@H](F)CO)Br 34a_100015665980_100000204665 [0,1,0,0,0,1|2,0,0]=4 12102 B16R1.4324 COc1ccc(cc1CNC[C@@H](F)CO)C 207a_100015665980_100000203738 [0,1,0,0,0,1|2,0,0]=4 12103 B16R1.4324 COc1ccc(cc1CNC[C@@H](F)CO)C 270004a_100015665980_100000203738 [0,1,0,0,0,1|2,0,0]=4 12104 B16R1.4324 COc1ccc(cc1CNC[C@@H](F)CO)C 34a_100015665980_100000199068 [0,1,0,0,0,1|2,0,0]=4 12105 B16R1.4324 COc1ccc(cc1CNC[C@@H](F)CO)Cl 207a_100015665980_100000188328 [0,1,0,0,0,1|2,0,0]=4 12106 B16R1.4324 COc1ccc(cc1CNC[C@@H](F)CO)Cl 270004a_100015665980_100000188328 [0,1,0,0,0,1|2,0,0]=4 12107 B16R1.4324 COc1ccc(cc1CNC[C@@H](F)CO)Cl 34a_100015665980_100000209806 [0,1,0,0,0,1|2,0,0]=4 12108 B16R1.4324 COc1ccc(cc1CNC[C@@H](F)CO)F 207a_100015665980_100000722865 [0,1,0,0,0,1|2,0,0]=4 12109 B16R1.4324 COc1ccc(cc1CNC[C@@H](F)CO)F 270004a_100015665980_100000722865 [0,1,0,0,0,1|2,0,0]=4 12110 B16R1.4324 COc1ccc(cc1CNC[C@@H](F)CO)F 34a_100015665980_100011830354 [0,1,0,0,0,1|2,0,0]=4 12111 B16R1.4324 COc1ccc(cc1CNC[C@@H](F)CO)I 207a_100015665980_100011266407 [0,1,0,0,0,1|2,0,0]=4 12112 B16R1.4324 COc1ccc(cc1CNC[C@@H](F)CO)I 270004a_100015665980_100011266407 [0,1,0,0,0,1|2,0,0]=4 12113 B16R1.4324 COc1ccc(cc1CNC[C@@H](F)CO)O 207a_100015665980_100000067581 [0,1,0,0,0,1|2,0,0]=4 12114 B16R1.4324 COc1ccc(cc1CNC[C@@H](O)CF)Br 34a_100000690498_100015614560 [0,1,0,0,0,1|2,0,0]=4 12115 B16R1.4324 COc1ccc(cc1CNC[C@@H](O)CF)Cl 2230a_100000740580_100015614560 [0,1,0,0,0,1|2,0,0]=4 12116 B16R1.4324 COc1ccc(cc1CNC[C@@H](O)CF)Cl 34a_100000740580_100015614560 [0,1,0,0,0,1|2,0,0]=4 12117 B16R1.4324 COc1ccc(cc1CNC[C@@H](O)CF)F 34a_100011199032_100015614560 [0,1,0,0,0,1|2,0,0]=4 12118 B16R1.4324 COc1ccc(cc1CNC[C@@H](O)CO)Br 34a_100000690498_100009815848 [0,1,0,0,0,1|1,0,0]=3 12119 B16R1.4324 COc1ccc(cc1CNC[C@@H](O)CO)Cl 2230a_100000740580_100009815848 [0,1,0,0,0,1|1,0,0]=3 12120 B16R1.4324 COc1ccc(cc1CNC[C@@H](O)CO)Cl 34a_100000740580_100009815848 [0,1,0,0,0,1|1,0,0]=3 12121 B16R1.4324 COc1ccc(cc1CNC[C@@H](O)CO)F 34a_100011199032_100009815848 [0,1,0,0,0,1|1,0,0]=3 12122 B16R1.4324 COc1ccc(cc1CNC[C@H](O)CO)Br 207a_100020644852_100000170026 [0,1,0,0,0,1|1,0,0]=3 12123 B16R1.4324 COc1ccc(cc1CNC[C@H](O)CO)Br 2230a_100020644852_100000204665 [0,1,0,0,0,1|1,0,0]=3 12124 B16R1.4324 COc1ccc(cc1CNC[C@H](O)CO)C 207a_100020644852_100000203738 [0,1,0,0,0,1|1,0,0]=3 12125 B16R1.4324 COc1ccc(cc1CNC[C@H](O)CO)C 2230a_100020644852_100000199068 [0,1,0,0,0,1|1,0,0]=3 12126 B16R1.4324 COc1ccc(cc1CNC[C@H](O)CO)Cl 207a_100020644852_100000188328 [0,1,0,0,0,1|1,0,0]=3 12127 B16R1.4324 COc1ccc(cc1CNC[C@H](O)CO)Cl 2230a_100020644852_100000209806 [0,1,0,0,0,1|1,0,0]=3 12128 B16R1.4324 COc1ccc(cc1CNC[C@H](O)CO)F 207a_100020644852_100000722865 [0,1,0,0,0,1|1,0,0]=3 12129 B16R1.4324 COc1ccc(cc1CNC[C@H](O)CO)F 2230a_100020644852_100011830354 [0,1,0,0,0,1|1,0,0]=3 12130 B16R1.4324 COc1ccc(cc1CNC[C@H](O)CO)I 207a_100020644852_100011266407 [0,1,0,0,0,1|1,0,0]=3 12131 B16R1.4324 COc1ccc(cc1CNC[C@H](O)CO)O 207a_100020644852_100000067581 [0,1,0,0,0,1|1,0,0]=3 12132 B16R1.4324 COc1ccc(cc1COCC(C)CN)Br 34a_100000744482_100000204665 [0,1,0,0,0,1|2,0,0]=4 12133 B16R1.4324 COc1ccc(cc1COCC(C)CN)C 34a_100000744482_100000199068 [0,1,0,0,0,1|2,0,0]=4 12134 B16R1.4324 COc1ccc(cc1COCC(C)CN)Cl 34a_100000744482_100000209806 [0,1,0,0,0,1|2,0,0]=4 12135 B16R1.4324 COc1ccc(cc1COCC(C)CN)F 34a_100000744482_100011830354 [0,1,0,0,0,1|2,0,0]=4 12136 B16R1.4324 COc1ccc(cc1COCC(Cl)CCl)Br 34a_100000033668_100000204665 [0,1,0,0,0,1|2,0,0]=4 12137 B16R1.4324 COc1ccc(cc1COCC(Cl)CCl)C 34a_100000033668_100000199068 [0,1,0,0,0,1|2,0,0]=4 12138 B16R1.4324 COc1ccc(cc1COCC(Cl)CCl)Cl 34a_100000033668_100000209806 [0,1,0,0,0,1|2,0,0]=4 12139 B16R1.4324 COc1ccc(cc1COCC(Cl)CCl)F 34a_100000033668_100011830354 [0,1,0,0,0,1|2,0,0]=4 12140 B16R1.4324 COc1ccc(cc1COCC(O)CO)Br 34a_100000204679_100011219619 [0,1,0,0,0,1|0,0,0]=2 12141 B16R1.4324 COc1ccc(cc1COCC(O)CO)Br 7a_100000204679_100011219619 [0,1,0,0,0,1|0,0,0]=2 12142 B16R1.4324 COc1ccc(cc1COCC(O)CO)C 34a_200000246444_100011219619 [0,1,0,0,0,1|0,0,0]=2 12143 B16R1.4324 COc1ccc(cc1COCC(O)CO)C 7a_200000246444_100011219619 [0,1,0,0,0,1|0,0,0]=2 12144 B16R1.4324 COc1ccc(cc1COCC(O)CO)F 34a_100011266440_100011219619 [0,1,0,0,0,1|0,0,0]=2 12145 B16R1.4324 COc1ccc(cc1COCC(O)CO)F 7a_100011266440_100011219619 [0,1,0,0,0,1|0,0,0]=2 12146 B16R1.4324 COc1ccc(cc1COCC(O)CO)I 34a_200137411115_100011219619 [0,1,0,0,0,1|0,0,0]=2 12147 B16R1.4324 COc1ccc(cc1COCC(O)CO)I 7a_200137411115_100011219619 [0,1,0,0,0,1|0,0,0]=2 12148 B16R1.4324 COc1ccc(cc1COC[C@@H](C)CO)Br 34a_100000204679_100000059175 [0,1,0,0,0,1|1,0,0]=3 12149 B16R1.4324 COc1ccc(cc1COC[C@@H](C)CO)Br 7a_100000204679_100000059175 [0,1,0,0,0,1|1,0,0]=3 12150 B16R1.4324 COc1ccc(cc1COC[C@@H](C)CO)C 34a_200000246444_100000059175 [0,1,0,0,0,1|1,0,0]=3 12151 B16R1.4324 COc1ccc(cc1COC[C@@H](C)CO)C 7a_200000246444_100000059175 [0,1,0,0,0,1|1,0,0]=3 12152 B16R1.4324 COc1ccc(cc1COC[C@@H](C)CO)F 34a_100011266440_100000059175 [0,1,0,0,0,1|1,0,0]=3 12153 B16R1.4324 COc1ccc(cc1COC[C@@H](C)CO)F 7a_100011266440_100000059175 [0,1,0,0,0,1|1,0,0]=3 12154 B16R1.4324 COc1ccc(cc1COC[C@@H](C)CO)I 34a_200137411115_100000059175 [0,1,0,0,0,1|1,0,0]=3 12155 B16R1.4324 COc1ccc(cc1COC[C@@H](C)CO)I 7a_200137411115_100000059175 [0,1,0,0,0,1|1,0,0]=3 12156 B16R1.4324 COc1ccc(cc1COC[C@@H](O)CF)Br 34a_100000204679_100015614560 [0,1,0,0,0,1|1,0,0]=3 12157 B16R1.4324 COc1ccc(cc1COC[C@@H](O)CF)Br 7a_100000204679_100015614560 [0,1,0,0,0,1|1,0,0]=3 12158 B16R1.4324 COc1ccc(cc1COC[C@@H](O)CF)C 34a_200000246444_100015614560 [0,1,0,0,0,1|1,0,0]=3 12159 B16R1.4324 COc1ccc(cc1COC[C@@H](O)CF)C 7a_200000246444_100015614560 [0,1,0,0,0,1|1,0,0]=3 12160 B16R1.4324 COc1ccc(cc1COC[C@@H](O)CF)F 34a_100011266440_100015614560 [0,1,0,0,0,1|1,0,0]=3 12161 B16R1.4324 COc1ccc(cc1COC[C@@H](O)CF)F 7a_100011266440_100015614560 [0,1,0,0,0,1|1,0,0]=3 12162 B16R1.4324 COc1ccc(cc1COC[C@@H](O)CF)I 34a_200137411115_100015614560 [0,1,0,0,0,1|1,0,0]=3 12163 B16R1.4324 COc1ccc(cc1COC[C@@H](O)CF)I 7a_200137411115_100015614560 [0,1,0,0,0,1|1,0,0]=3 12164 B16R1.4324 COc1ccc(cc1COC[C@@H](O)CO)Br 34a_100000204679_100009815848 [0,1,0,0,0,1|0,0,0]=2 12165 B16R1.4324 COc1ccc(cc1COC[C@@H](O)CO)Br 7a_100000204679_100009815848 [0,1,0,0,0,1|0,0,0]=2 12166 B16R1.4324 COc1ccc(cc1COC[C@@H](O)CO)C 34a_200000246444_100009815848 [0,1,0,0,0,1|0,0,0]=2 12167 B16R1.4324 COc1ccc(cc1COC[C@@H](O)CO)C 7a_200000246444_100009815848 [0,1,0,0,0,1|0,0,0]=2 12168 B16R1.4324 COc1ccc(cc1COC[C@@H](O)CO)F 34a_100011266440_100009815848 [0,1,0,0,0,1|0,0,0]=2 12169 B16R1.4324 COc1ccc(cc1COC[C@@H](O)CO)F 7a_100011266440_100009815848 [0,1,0,0,0,1|0,0,0]=2 12170 B16R1.4324 COc1ccc(cc1COC[C@@H](O)CO)I 34a_200137411115_100009815848 [0,1,0,0,0,1|0,0,0]=2 12171 B16R1.4324 COc1ccc(cc1COC[C@@H](O)CO)I 7a_200137411115_100009815848 [0,1,0,0,0,1|0,0,0]=2 12172 B16R1.4324 COc1ccc(cc1COC[C@H](F)CN)Br 34a_100015665980_100000204665 [0,1,0,0,0,1|2,0,0]=4 12173 B16R1.4324 COc1ccc(cc1COC[C@H](F)CN)C 34a_100015665980_100000199068 [0,1,0,0,0,1|2,0,0]=4 12174 B16R1.4324 COc1ccc(cc1COC[C@H](F)CN)Cl 34a_100015665980_100000209806 [0,1,0,0,0,1|2,0,0]=4 12175 B16R1.4324 COc1ccc(cc1COC[C@H](F)CN)F 34a_100015665980_100011830354 [0,1,0,0,0,1|2,0,0]=4 12176 B16R1.4324 COc1ccc(cc1CSCC(O)CO)Br 62a_100000204665_100011219619 [0,1,0,0,0,1|0,1,0]=3 12177 B16R1.4324 COc1ccc(cc1CSCC(O)CO)Br 62a_100011219619_100000204665 [0,1,0,0,0,1|0,1,0]=3 12178 B16R1.4324 COc1ccc(cc1CSCC(O)CO)C 62a_100000199068_100011219619 [0,1,0,0,0,1|0,1,0]=3 12179 B16R1.4324 COc1ccc(cc1CSCC(O)CO)C 62a_100011219619_100000199068 [0,1,0,0,0,1|0,1,0]=3 12180 B16R1.4324 COc1ccc(cc1CSCC(O)CO)Cl 62a_100000209806_100011219619 [0,1,0,0,0,1|0,1,0]=3 12181 B16R1.4324 COc1ccc(cc1CSCC(O)CO)Cl 62a_100011219619_100000209806 [0,1,0,0,0,1|0,1,0]=3 12182 B16R1.4324 COc1ccc(cc1CSCC(O)CO)F 62a_100011219619_100011830354 [0,1,0,0,0,1|0,1,0]=3 12183 B16R1.4324 COc1ccc(cc1CSCC(O)CO)F 62a_100011830354_100011219619 [0,1,0,0,0,1|0,1,0]=3 12184 B16R1.4324 COc1ccc(cc1CSC[C@@H](C)CO)Br 62a_100000059175_100000204665 [0,1,0,0,0,1|1,1,0]=4 12185 B16R1.4324 COc1ccc(cc1CSC[C@@H](C)CO)Br 62a_100000204665_100000059175 [0,1,0,0,0,1|1,1,0]=4 12186 B16R1.4324 COc1ccc(cc1CSC[C@@H](C)CO)C 62a_100000059175_100000199068 [0,1,0,0,0,1|1,1,0]=4 12187 B16R1.4324 COc1ccc(cc1CSC[C@@H](C)CO)C 62a_100000199068_100000059175 [0,1,0,0,0,1|1,1,0]=4 12188 B16R1.4324 COc1ccc(cc1CSC[C@@H](C)CO)Cl 62a_100000059175_100000209806 [0,1,0,0,0,1|1,1,0]=4 12189 B16R1.4324 COc1ccc(cc1CSC[C@@H](C)CO)Cl 62a_100000209806_100000059175 [0,1,0,0,0,1|1,1,0]=4 12190 B16R1.4324 COc1ccc(cc1CSC[C@@H](C)CO)F 62a_100000059175_100011830354 [0,1,0,0,0,1|1,1,0]=4 12191 B16R1.4324 COc1ccc(cc1CSC[C@@H](C)CO)F 62a_100011830354_100000059175 [0,1,0,0,0,1|1,1,0]=4 12192 B16R1.4324 COc1ccc(cc1CSC[C@@H](O)CF)Br 62a_100000204665_100015614560 [0,1,0,0,0,1|1,1,0]=4 12193 B16R1.4324 COc1ccc(cc1CSC[C@@H](O)CF)Br 62a_100015614560_100000204665 [0,1,0,0,0,1|1,1,0]=4 12194 B16R1.4324 COc1ccc(cc1CSC[C@@H](O)CF)C 62a_100000199068_100015614560 [0,1,0,0,0,1|1,1,0]=4 12195 B16R1.4324 COc1ccc(cc1CSC[C@@H](O)CF)C 62a_100015614560_100000199068 [0,1,0,0,0,1|1,1,0]=4 12196 B16R1.4324 COc1ccc(cc1CSC[C@@H](O)CF)Cl 62a_100000209806_100015614560 [0,1,0,0,0,1|1,1,0]=4 12197 B16R1.4324 COc1ccc(cc1CSC[C@@H](O)CF)Cl 62a_100015614560_100000209806 [0,1,0,0,0,1|1,1,0]=4 12198 B16R1.4324 COc1ccc(cc1CSC[C@@H](O)CF)F 62a_100011830354_100015614560 [0,1,0,0,0,1|1,1,0]=4 12199 B16R1.4324 COc1ccc(cc1CSC[C@@H](O)CF)F 62a_100015614560_100011830354 [0,1,0,0,0,1|1,1,0]=4 12200 B16R1.4324 COc1ccc(cc1CSC[C@@H](O)CO)Br 62a_100000204665_100009815848 [0,1,0,0,0,1|0,1,0]=3 12201 B16R1.4324 COc1ccc(cc1CSC[C@@H](O)CO)Br 62a_100009815848_100000204665 [0,1,0,0,0,1|0,1,0]=3 12202 B16R1.4324 COc1ccc(cc1CSC[C@@H](O)CO)C 62a_100000199068_100009815848 [0,1,0,0,0,1|0,1,0]=3 12203 B16R1.4324 COc1ccc(cc1CSC[C@@H](O)CO)C 62a_100009815848_100000199068 [0,1,0,0,0,1|0,1,0]=3 12204 B16R1.4324 COc1ccc(cc1CSC[C@@H](O)CO)Cl 62a_100000209806_100009815848 [0,1,0,0,0,1|0,1,0]=3 12205 B16R1.4324 COc1ccc(cc1CSC[C@@H](O)CO)Cl 62a_100009815848_100000209806 [0,1,0,0,0,1|0,1,0]=3 12206 B16R1.4324 COc1ccc(cc1CSC[C@@H](O)CO)F 62a_100009815848_100011830354 [0,1,0,0,0,1|0,1,0]=3 12207 B16R1.4324 COc1ccc(cc1CSC[C@@H](O)CO)F 62a_100011830354_100009815848 [0,1,0,0,0,1|0,1,0]=3 12208 B16R1.4324 COc1ccc(cc1NN=CC(O)CO)Cl 4a_100020603255_100000033539 [0,1,0,0,0,1|1,0,1]=4 12209 B16R1.4324 COc1ncc(cc1CNC[C@H](O)CO)Br 207a_100020644852_100009814609 [0,1,0,0,0,1|2,0,0]=4 12210 B16R1.4324 COc1ncc(cc1CNC[C@H](O)CO)Br 2230a_100020644852_100010065838 [0,1,0,0,0,1|2,0,0]=4 12211 B16R1.4324 COc1ncc(cc1CNC[C@H](O)CO)C 207a_100020644852_100000118322 [0,1,0,0,0,1|2,0,0]=4 12212 B16R1.4324 COc1ncc(cc1CNC[C@H](O)CO)F 207a_100020644852_100000081817 [0,1,0,0,0,1|2,0,0]=4 12213 B16R1.4324 COc1ncc(cc1COCC(O)CO)Br 34a_100000695684_100011219619 [0,1,0,0,0,1|1,0,0]=3 12214 B16R1.4324 COc1ncc(cc1COCC(O)CO)F 34a_100011997213_100011219619 [0,1,0,0,0,1|1,0,0]=3 12215 B16R1.4324 COc1ncc(cc1COC[C@@H](C)CO)Br 34a_100000695684_100000059175 [0,1,0,0,0,1|2,0,0]=4 12216 B16R1.4324 COc1ncc(cc1COC[C@@H](C)CO)F 34a_100011997213_100000059175 [0,1,0,0,0,1|2,0,0]=4 12217 B16R1.4324 COc1ncc(cc1COC[C@@H](O)CF)Br 34a_100000695684_100015614560 [0,1,0,0,0,1|2,0,0]=4 12218 B16R1.4324 COc1ncc(cc1COC[C@@H](O)CF)F 34a_100011997213_100015614560 [0,1,0,0,0,1|2,0,0]=4 12219 B16R1.4324 COc1ncc(cc1COC[C@@H](O)CO)Br 34a_100000695684_100009815848 [0,1,0,0,0,1|1,0,0]=3 12220 B16R1.4324 COc1ncc(cc1COC[C@@H](O)CO)F 34a_100011997213_100009815848 [0,1,0,0,0,1|1,0,0]=3 12221 B16R1.4324 COc1ncc(cc1CSCC(O)CO)Br 62a_100010065838_100011219619 [0,1,0,0,0,1|1,1,0]=4 12222 B16R1.4324 COc1ncc(cc1CSCC(O)CO)Br 62a_100011219619_100010065838 [0,1,0,0,0,1|1,1,0]=4 12223 B16R1.4324 COc1ncc(cc1CSC[C@@H](O)CO)Br 62a_100009815848_100010065838 [0,1,0,0,0,1|1,1,0]=4 12224 B16R1.4324 COc1ncc(cc1CSC[C@@H](O)CO)Br 62a_100010065838_100009815848 [0,1,0,0,0,1|1,1,0]=4 12225 B16R1.4324 N#Cc1ccc(cc1COCC(O)CO)F 34a_200011935090_100011219619 [0,1,0,0,0,1|2,0,0]=4 12226 B16R1.4324 N#Cc1ccc(cc1COCC(O)CO)F 7a_200011935090_100011219619 [0,1,0,0,0,1|2,0,0]=4 12227 B16R1.4324 N#Cc1ccc(cc1COC[C@@H](O)CO)F 34a_200011935090_100009815848 [0,1,0,0,0,1|2,0,0]=4 12228 B16R1.4324 N#Cc1ccc(cc1COC[C@@H](O)CO)F 7a_200011935090_100009815848 [0,1,0,0,0,1|2,0,0]=4 12229 B16R1.4780 C=CC(O)COCc1ccc(cc1OC)Br 34a_100011277633_100000730141 [0,1,0,0,0,1|1,0,1]=4 12230 B16R1.4780 C=CC(O)COCc1ccc(cc1OC)Br 7a_100011277633_100000730141 [0,1,0,0,0,1|1,0,1]=4 12231 B16R1.4780 C=CC(O)COCc1ccc(cc1OC)C 34a_200012017176_100000730141 [0,1,0,0,0,1|1,0,1]=4 12232 B16R1.4780 C=CC(O)COCc1ccc(cc1OC)C 7a_200012017176_100000730141 [0,1,0,0,0,1|1,0,1]=4 12233 B16R1.4780 C=CC(O)COCc1ccc(cc1OC)Cl 34a_200011215853_100000730141 [0,1,0,0,0,1|1,0,1]=4 12234 B16R1.4780 C=CC(O)COCc1ccc(cc1OC)Cl 7a_200011215853_100000730141 [0,1,0,0,0,1|1,0,1]=4 12235 B16R1.4780 C=CC(O)COCc1ccc(cc1OC)F 34a_100000117171_100000730141 [0,1,0,0,0,1|1,0,1]=4 12236 B16R1.4780 C=CC(O)COCc1ccc(cc1OC)F 7a_100000117171_100000730141 [0,1,0,0,0,1|1,0,1]=4 12237 B16R1.4780 C=CC(O)COCc1ccc(cc1OC)I 34a_100010233823_100000730141 [0,1,0,0,0,1|1,0,1]=4 12238 B16R1.4780 C=CC(O)COCc1ccc(cc1OC)I 7a_100010233823_100000730141 [0,1,0,0,0,1|1,0,1]=4 12239 B16R1.4780 C=CC(O)COCc1ccc(cc1OC)N 34a_100012183141_100000730141 [0,1,0,0,0,1|1,0,1]=4 12240 B16R1.4780 CCC(C)COCc1ccc(cc1OC)Br 34a_100011277633_100000748023 [0,1,0,0,0,1|2,0,0]=4 12241 B16R1.4780 CCC(C)COCc1ccc(cc1OC)Br 7a_100011277633_100000748023 [0,1,0,0,0,1|2,0,0]=4 12242 B16R1.4780 CCC(C)COCc1ccc(cc1OC)C 34a_200012017176_100000748023 [0,1,0,0,0,1|2,0,0]=4 12243 B16R1.4780 CCC(C)COCc1ccc(cc1OC)C 7a_200012017176_100000748023 [0,1,0,0,0,1|2,0,0]=4 12244 B16R1.4780 CCC(C)COCc1ccc(cc1OC)Cl 34a_200011215853_100000748023 [0,1,0,0,0,1|2,0,0]=4 12245 B16R1.4780 CCC(C)COCc1ccc(cc1OC)Cl 7a_200011215853_100000748023 [0,1,0,0,0,1|2,0,0]=4 12246 B16R1.4780 CCC(C)COCc1ccc(cc1OC)F 34a_100000117171_100000748023 [0,1,0,0,0,1|2,0,0]=4 12247 B16R1.4780 CCC(C)COCc1ccc(cc1OC)F 7a_100000117171_100000748023 [0,1,0,0,0,1|2,0,0]=4 12248 B16R1.4780 CCC(C)COCc1ccc(cc1OC)I 34a_100010233823_100000748023 [0,1,0,0,0,1|2,0,0]=4 12249 B16R1.4780 CCC(C)COCc1ccc(cc1OC)I 7a_100010233823_100000748023 [0,1,0,0,0,1|2,0,0]=4 12250 B16R1.4780 CCC(C)COCc1ccc(cc1OC)N 34a_100012183141_100000748023 [0,1,0,0,0,1|2,0,0]=4 12251 B16R1.4780 CCC(O)CNCc1ccc(cc1OC)Br 207a_100011218483_100000697075 [0,1,0,0,0,1|2,0,0]=4 12252 B16R1.4780 CCC(O)CNCc1ccc(cc1OC)Br 2230a_100011218483_100012359436 [0,1,0,0,0,1|2,0,0]=4 12253 B16R1.4780 CCC(O)CNCc1ccc(cc1OC)Br 270004a_100011218483_100000697075 [0,1,0,0,0,1|2,0,0]=4 12254 B16R1.4780 CCC(O)CNCc1ccc(cc1OC)C 207a_100011218483_100000689369 [0,1,0,0,0,1|2,0,0]=4 12255 B16R1.4780 CCC(O)CNCc1ccc(cc1OC)C 270004a_100011218483_100000689369 [0,1,0,0,0,1|2,0,0]=4 12256 B16R1.4780 CCC(O)CNCc1ccc(cc1OC)Cl 207a_100011218483_100000235374 [0,1,0,0,0,1|2,0,0]=4 12257 B16R1.4780 CCC(O)CNCc1ccc(cc1OC)Cl 270004a_100011218483_100000235374 [0,1,0,0,0,1|2,0,0]=4 12258 B16R1.4780 CCC(O)CNCc1ccc(cc1OC)F 207a_100011218483_100000042785 [0,1,0,0,0,1|2,0,0]=4 12259 B16R1.4780 CCC(O)CNCc1ccc(cc1OC)F 2230a_100011218483_200010171551 [0,1,0,0,0,1|2,0,0]=4 12260 B16R1.4780 CCC(O)CNCc1ccc(cc1OC)F 270004a_100011218483_100000042785 [0,1,0,0,0,1|2,0,0]=4 12261 B16R1.4780 CCC(O)CNCc1ccc(cc1OC)F 34a_100000062129_100011218378 [0,1,0,0,0,1|2,0,0]=4 12262 B16R1.4780 CCC(O)CNCc1ccc(cc1OC)I 207a_100011218483_100010290300 [0,1,0,0,0,1|2,0,0]=4 12263 B16R1.4780 CCC(O)COCc1ccc(cc1OC)Br 34a_100011277633_100011218378 [0,1,0,0,0,1|1,0,0]=3 12264 B16R1.4780 CCC(O)COCc1ccc(cc1OC)Br 7a_100011277633_100011218378 [0,1,0,0,0,1|1,0,0]=3 12265 B16R1.4780 CCC(O)COCc1ccc(cc1OC)C 34a_200012017176_100011218378 [0,1,0,0,0,1|1,0,0]=3 12266 B16R1.4780 CCC(O)COCc1ccc(cc1OC)C 7a_200012017176_100011218378 [0,1,0,0,0,1|1,0,0]=3 12267 B16R1.4780 CCC(O)COCc1ccc(cc1OC)Cl 34a_200011215853_100011218378 [0,1,0,0,0,1|1,0,0]=3 12268 B16R1.4780 CCC(O)COCc1ccc(cc1OC)Cl 7a_200011215853_100011218378 [0,1,0,0,0,1|1,0,0]=3 12269 B16R1.4780 CCC(O)COCc1ccc(cc1OC)F 34a_100000117171_100011218378 [0,1,0,0,0,1|1,0,0]=3 12270 B16R1.4780 CCC(O)COCc1ccc(cc1OC)F 7a_100000117171_100011218378 [0,1,0,0,0,1|1,0,0]=3 12271 B16R1.4780 CCC(O)COCc1ccc(cc1OC)I 34a_100010233823_100011218378 [0,1,0,0,0,1|1,0,0]=3 12272 B16R1.4780 CCC(O)COCc1ccc(cc1OC)I 7a_100010233823_100011218378 [0,1,0,0,0,1|1,0,0]=3 12273 B16R1.4780 CCC(O)COCc1ccc(cc1OC)N 34a_100012183141_100011218378 [0,1,0,0,0,1|1,0,0]=3 12274 B16R1.4780 CCC(O)COCc1ccc(nc1OC)Br 34a_100010988397_100011218378 [0,1,0,0,0,1|2,0,0]=4 12275 B16R1.4780 CCC(O)COCc1ccc(nc1OC)Cl 34a_200009869906_100011218378 [0,1,0,0,0,1|2,0,0]=4 12276 B16R1.4780 CCC(O)COCc1cnc(cc1OC)Cl 34a_100010714672_100011218378 [0,1,0,0,0,1|2,0,0]=4 12277 B16R1.4780 CCC(O)COCc1ncc(cc1OC)Br 34a_200010246159_100011218378 [0,1,0,0,0,1|2,0,0]=4 12278 B16R1.4780 CCC(O)COCc1ncc(cc1OC)Br 7a_200010246159_100011218378 [0,1,0,0,0,1|2,0,0]=4 12279 B16R1.4780 CCC(O)CSCc1ccc(cc1OC)Br 62a_100011218378_100012359436 [0,1,0,0,0,1|1,1,0]=4 12280 B16R1.4780 CCC(O)CSCc1ccc(cc1OC)Br 62a_100012359436_100011218378 [0,1,0,0,0,1|1,1,0]=4 12281 B16R1.4780 CCC(O)CSCc1ccc(cc1OC)F 62a_100011218378_200010171551 [0,1,0,0,0,1|1,1,0]=4 12282 B16R1.4780 CCC(O)CSCc1ccc(cc1OC)F 62a_200010171551_100011218378 [0,1,0,0,0,1|1,1,0]=4 12283 B16R1.4780 CC[C@H](C)COCc1ccc(cc1OC)Br 34a_100011277633_100009816398 [0,1,0,0,0,1|2,0,0]=4 12284 B16R1.4780 CC[C@H](C)COCc1ccc(cc1OC)Br 7a_100009816381_100012359436 [0,1,0,0,0,1|2,0,0]=4 12285 B16R1.4780 CC[C@H](C)COCc1ccc(cc1OC)Br 7a_100011277633_100009816398 [0,1,0,0,0,1|2,0,0]=4 12286 B16R1.4780 CC[C@H](C)COCc1ccc(cc1OC)C 34a_200012017176_100009816398 [0,1,0,0,0,1|2,0,0]=4 12287 B16R1.4780 CC[C@H](C)COCc1ccc(cc1OC)C 7a_200012017176_100009816398 [0,1,0,0,0,1|2,0,0]=4 12288 B16R1.4780 CC[C@H](C)COCc1ccc(cc1OC)Cl 34a_200011215853_100009816398 [0,1,0,0,0,1|2,0,0]=4 12289 B16R1.4780 CC[C@H](C)COCc1ccc(cc1OC)Cl 7a_200011215853_100009816398 [0,1,0,0,0,1|2,0,0]=4 12290 B16R1.4780 CC[C@H](C)COCc1ccc(cc1OC)F 34a_100000117171_100009816398 [0,1,0,0,0,1|2,0,0]=4 12291 B16R1.4780 CC[C@H](C)COCc1ccc(cc1OC)F 7a_100000117171_100009816398 [0,1,0,0,0,1|2,0,0]=4 12292 B16R1.4780 CC[C@H](C)COCc1ccc(cc1OC)F 7a_100009816381_200010171551 [0,1,0,0,0,1|2,0,0]=4 12293 B16R1.4780 CC[C@H](C)COCc1ccc(cc1OC)I 34a_100010233823_100009816398 [0,1,0,0,0,1|2,0,0]=4 12294 B16R1.4780 CC[C@H](C)COCc1ccc(cc1OC)I 7a_100010233823_100009816398 [0,1,0,0,0,1|2,0,0]=4 12295 B16R1.4780 CC[C@H](C)COCc1ccc(cc1OC)N 34a_100012183141_100009816398 [0,1,0,0,0,1|2,0,0]=4 12296 B16R1.4780 CCc1cc(ccc1CNC[C@H](O)CO)Br 207a_100020644852_100010209654 [0,1,0,0,0,1|2,0,0]=4 12297 B16R1.4780 CCc1cc(ccc1CNC[C@H](O)CO)Br 269862a_100020644852_100010209654 [0,1,0,0,0,1|2,0,0]=4 12298 B16R1.4780 COc1cc(ccc1CNCC(C)CO)Br 207a_100000744482_100000697075 [0,1,0,0,0,1|2,0,0]=4 12299 B16R1.4780 COc1cc(ccc1CNCC(C)CO)Br 34a_100000744482_100012359436 [0,1,0,0,0,1|2,0,0]=4 12300 B16R1.4780 COc1cc(ccc1CNCC(C)CO)C 207a_100000744482_100000689369 [0,1,0,0,0,1|2,0,0]=4 12301 B16R1.4780 COc1cc(ccc1CNCC(C)CO)Cl 207a_100000744482_100000235374 [0,1,0,0,0,1|2,0,0]=4 12302 B16R1.4780 COc1cc(ccc1CNCC(C)CO)F 207a_100000744482_100000042785 [0,1,0,0,0,1|2,0,0]=4 12303 B16R1.4780 COc1cc(ccc1CNCC(C)CO)F 34a_100000744482_200010171551 [0,1,0,0,0,1|2,0,0]=4 12304 B16R1.4780 COc1cc(ccc1CNCC(C)CO)I 207a_100000744482_100010290300 [0,1,0,0,0,1|2,0,0]=4 12305 B16R1.4780 COc1cc(ccc1CNCC(O)CO)F 34a_100000062129_100011219619 [0,1,0,0,0,1|1,0,0]=3 12306 B16R1.4780 COc1cc(ccc1CNC[C@@H](C)CO)F 34a_100000062129_100000059175 [0,1,0,0,0,1|2,0,0]=4 12307 B16R1.4780 COc1cc(ccc1CNC[C@@H](F)CO)Br 207a_100015665980_100000697075 [0,1,0,0,0,1|2,0,0]=4 12308 B16R1.4780 COc1cc(ccc1CNC[C@@H](F)CO)Br 270004a_100015665980_100000697075 [0,1,0,0,0,1|2,0,0]=4 12309 B16R1.4780 COc1cc(ccc1CNC[C@@H](F)CO)Br 34a_100015665980_100012359436 [0,1,0,0,0,1|2,0,0]=4 12310 B16R1.4780 COc1cc(ccc1CNC[C@@H](F)CO)C 207a_100015665980_100000689369 [0,1,0,0,0,1|2,0,0]=4 12311 B16R1.4780 COc1cc(ccc1CNC[C@@H](F)CO)C 270004a_100015665980_100000689369 [0,1,0,0,0,1|2,0,0]=4 12312 B16R1.4780 COc1cc(ccc1CNC[C@@H](F)CO)Cl 207a_100015665980_100000235374 [0,1,0,0,0,1|2,0,0]=4 12313 B16R1.4780 COc1cc(ccc1CNC[C@@H](F)CO)Cl 270004a_100015665980_100000235374 [0,1,0,0,0,1|2,0,0]=4 12314 B16R1.4780 COc1cc(ccc1CNC[C@@H](F)CO)F 207a_100015665980_100000042785 [0,1,0,0,0,1|2,0,0]=4 12315 B16R1.4780 COc1cc(ccc1CNC[C@@H](F)CO)F 270004a_100015665980_100000042785 [0,1,0,0,0,1|2,0,0]=4 12316 B16R1.4780 COc1cc(ccc1CNC[C@@H](F)CO)F 34a_100015665980_200010171551 [0,1,0,0,0,1|2,0,0]=4 12317 B16R1.4780 COc1cc(ccc1CNC[C@@H](F)CO)I 207a_100015665980_100010290300 [0,1,0,0,0,1|2,0,0]=4 12318 B16R1.4780 COc1cc(ccc1CNC[C@@H](O)CF)F 34a_100000062129_100015614560 [0,1,0,0,0,1|2,0,0]=4 12319 B16R1.4780 COc1cc(ccc1CNC[C@@H](O)CO)F 34a_100000062129_100009815848 [0,1,0,0,0,1|1,0,0]=3 12320 B16R1.4780 COc1cc(ccc1CNC[C@H](O)CO)Br 207a_100020644852_100000697075 [0,1,0,0,0,1|1,0,0]=3 12321 B16R1.4780 COc1cc(ccc1CNC[C@H](O)CO)Br 2230a_100020644852_100012359436 [0,1,0,0,0,1|1,0,0]=3 12322 B16R1.4780 COc1cc(ccc1CNC[C@H](O)CO)C 207a_100020644852_100000689369 [0,1,0,0,0,1|1,0,0]=3 12323 B16R1.4780 COc1cc(ccc1CNC[C@H](O)CO)Cl 207a_100020644852_100000235374 [0,1,0,0,0,1|1,0,0]=3 12324 B16R1.4780 COc1cc(ccc1CNC[C@H](O)CO)F 207a_100020644852_100000042785 [0,1,0,0,0,1|1,0,0]=3 12325 B16R1.4780 COc1cc(ccc1CNC[C@H](O)CO)F 2230a_100020644852_200010171551 [0,1,0,0,0,1|1,0,0]=3 12326 B16R1.4780 COc1cc(ccc1CNC[C@H](O)CO)I 207a_100020644852_100010290300 [0,1,0,0,0,1|1,0,0]=3 12327 B16R1.4780 COc1cc(ccc1COCC(C)CN)Br 34a_100000744482_100012359436 [0,1,0,0,0,1|2,0,0]=4 12328 B16R1.4780 COc1cc(ccc1COCC(C)CN)F 34a_100000744482_200010171551 [0,1,0,0,0,1|2,0,0]=4 12329 B16R1.4780 COc1cc(ccc1COCC(Cl)CCl)Br 34a_100000033668_100012359436 [0,1,0,0,0,1|2,0,0]=4 12330 B16R1.4780 COc1cc(ccc1COCC(Cl)CCl)F 34a_100000033668_200010171551 [0,1,0,0,0,1|2,0,0]=4 12331 B16R1.4780 COc1cc(ccc1COCC(O)CO)Br 34a_100011277633_100011219619 [0,1,0,0,0,1|0,0,0]=2 12332 B16R1.4780 COc1cc(ccc1COCC(O)CO)Br 7a_100011277633_100011219619 [0,1,0,0,0,1|0,0,0]=2 12333 B16R1.4780 COc1cc(ccc1COCC(O)CO)C 34a_200012017176_100011219619 [0,1,0,0,0,1|0,0,0]=2 12334 B16R1.4780 COc1cc(ccc1COCC(O)CO)C 7a_200012017176_100011219619 [0,1,0,0,0,1|0,0,0]=2 12335 B16R1.4780 COc1cc(ccc1COCC(O)CO)Cl 34a_200011215853_100011219619 [0,1,0,0,0,1|0,0,0]=2 12336 B16R1.4780 COc1cc(ccc1COCC(O)CO)Cl 7a_200011215853_100011219619 [0,1,0,0,0,1|0,0,0]=2 12337 B16R1.4780 COc1cc(ccc1COCC(O)CO)F 34a_100000117171_100011219619 [0,1,0,0,0,1|0,0,0]=2 12338 B16R1.4780 COc1cc(ccc1COCC(O)CO)F 7a_100000117171_100011219619 [0,1,0,0,0,1|0,0,0]=2 12339 B16R1.4780 COc1cc(ccc1COCC(O)CO)I 34a_100010233823_100011219619 [0,1,0,0,0,1|0,0,0]=2 12340 B16R1.4780 COc1cc(ccc1COCC(O)CO)I 7a_100010233823_100011219619 [0,1,0,0,0,1|0,0,0]=2 12341 B16R1.4780 COc1cc(ccc1COCC(O)CO)N 34a_100012183141_100011219619 [0,1,0,0,0,1|0,0,0]=2 12342 B16R1.4780 COc1cc(ccc1COC[C@@H](C)CO)Br 34a_100011277633_100000059175 [0,1,0,0,0,1|1,0,0]=3 12343 B16R1.4780 COc1cc(ccc1COC[C@@H](C)CO)Br 7a_100011277633_100000059175 [0,1,0,0,0,1|1,0,0]=3 12344 B16R1.4780 COc1cc(ccc1COC[C@@H](C)CO)C 34a_200012017176_100000059175 [0,1,0,0,0,1|1,0,0]=3 12345 B16R1.4780 COc1cc(ccc1COC[C@@H](C)CO)C 7a_200012017176_100000059175 [0,1,0,0,0,1|1,0,0]=3 12346 B16R1.4780 COc1cc(ccc1COC[C@@H](C)CO)Cl 34a_200011215853_100000059175 [0,1,0,0,0,1|1,0,0]=3 12347 B16R1.4780 COc1cc(ccc1COC[C@@H](C)CO)Cl 7a_200011215853_100000059175 [0,1,0,0,0,1|1,0,0]=3 12348 B16R1.4780 COc1cc(ccc1COC[C@@H](C)CO)F 34a_100000117171_100000059175 [0,1,0,0,0,1|1,0,0]=3 12349 B16R1.4780 COc1cc(ccc1COC[C@@H](C)CO)F 7a_100000117171_100000059175 [0,1,0,0,0,1|1,0,0]=3 12350 B16R1.4780 COc1cc(ccc1COC[C@@H](C)CO)I 34a_100010233823_100000059175 [0,1,0,0,0,1|1,0,0]=3 12351 B16R1.4780 COc1cc(ccc1COC[C@@H](C)CO)I 7a_100010233823_100000059175 [0,1,0,0,0,1|1,0,0]=3 12352 B16R1.4780 COc1cc(ccc1COC[C@@H](C)CO)N 34a_100012183141_100000059175 [0,1,0,0,0,1|1,0,0]=3 12353 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CF)Br 34a_100011277633_100015614560 [0,1,0,0,0,1|1,0,0]=3 12354 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CF)Br 7a_100011277633_100015614560 [0,1,0,0,0,1|1,0,0]=3 12355 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CF)C 34a_200012017176_100015614560 [0,1,0,0,0,1|1,0,0]=3 12356 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CF)C 7a_200012017176_100015614560 [0,1,0,0,0,1|1,0,0]=3 12357 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CF)Cl 34a_200011215853_100015614560 [0,1,0,0,0,1|1,0,0]=3 12358 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CF)Cl 7a_200011215853_100015614560 [0,1,0,0,0,1|1,0,0]=3 12359 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CF)F 34a_100000117171_100015614560 [0,1,0,0,0,1|1,0,0]=3 12360 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CF)F 7a_100000117171_100015614560 [0,1,0,0,0,1|1,0,0]=3 12361 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CF)I 34a_100010233823_100015614560 [0,1,0,0,0,1|1,0,0]=3 12362 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CF)I 7a_100010233823_100015614560 [0,1,0,0,0,1|1,0,0]=3 12363 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CF)N 34a_100012183141_100015614560 [0,1,0,0,0,1|1,0,0]=3 12364 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CO)Br 34a_100011277633_100009815848 [0,1,0,0,0,1|0,0,0]=2 12365 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CO)Br 7a_100011277633_100009815848 [0,1,0,0,0,1|0,0,0]=2 12366 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CO)C 34a_200012017176_100009815848 [0,1,0,0,0,1|0,0,0]=2 12367 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CO)C 7a_200012017176_100009815848 [0,1,0,0,0,1|0,0,0]=2 12368 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CO)Cl 34a_200011215853_100009815848 [0,1,0,0,0,1|0,0,0]=2 12369 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CO)Cl 7a_200011215853_100009815848 [0,1,0,0,0,1|0,0,0]=2 12370 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CO)F 34a_100000117171_100009815848 [0,1,0,0,0,1|0,0,0]=2 12371 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CO)F 7a_100000117171_100009815848 [0,1,0,0,0,1|0,0,0]=2 12372 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CO)I 34a_100010233823_100009815848 [0,1,0,0,0,1|0,0,0]=2 12373 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CO)I 7a_100010233823_100009815848 [0,1,0,0,0,1|0,0,0]=2 12374 B16R1.4780 COc1cc(ccc1COC[C@@H](O)CO)N 34a_100012183141_100009815848 [0,1,0,0,0,1|0,0,0]=2 12375 B16R1.4780 COc1cc(ccc1COC[C@H](F)CN)Br 34a_100015665980_100012359436 [0,1,0,0,0,1|2,0,0]=4 12376 B16R1.4780 COc1cc(ccc1COC[C@H](F)CN)F 34a_100015665980_200010171551 [0,1,0,0,0,1|2,0,0]=4 12377 B16R1.4780 COc1cc(ccc1CSCC(O)CO)Br 62a_100011219619_100012359436 [0,1,0,0,0,1|0,1,0]=3 12378 B16R1.4780 COc1cc(ccc1CSCC(O)CO)Br 62a_100012359436_100011219619 [0,1,0,0,0,1|0,1,0]=3 12379 B16R1.4780 COc1cc(ccc1CSCC(O)CO)F 62a_100011219619_200010171551 [0,1,0,0,0,1|0,1,0]=3 12380 B16R1.4780 COc1cc(ccc1CSCC(O)CO)F 62a_200010171551_100011219619 [0,1,0,0,0,1|0,1,0]=3 12381 B16R1.4780 COc1cc(ccc1CSC[C@@H](C)CO)Br 62a_100000059175_100012359436 [0,1,0,0,0,1|1,1,0]=4 12382 B16R1.4780 COc1cc(ccc1CSC[C@@H](C)CO)Br 62a_100012359436_100000059175 [0,1,0,0,0,1|1,1,0]=4 12383 B16R1.4780 COc1cc(ccc1CSC[C@@H](C)CO)F 62a_100000059175_200010171551 [0,1,0,0,0,1|1,1,0]=4 12384 B16R1.4780 COc1cc(ccc1CSC[C@@H](C)CO)F 62a_200010171551_100000059175 [0,1,0,0,0,1|1,1,0]=4 12385 B16R1.4780 COc1cc(ccc1CSC[C@@H](O)CF)Br 62a_100012359436_100015614560 [0,1,0,0,0,1|1,1,0]=4 12386 B16R1.4780 COc1cc(ccc1CSC[C@@H](O)CF)Br 62a_100015614560_100012359436 [0,1,0,0,0,1|1,1,0]=4 12387 B16R1.4780 COc1cc(ccc1CSC[C@@H](O)CF)F 62a_100015614560_200010171551 [0,1,0,0,0,1|1,1,0]=4 12388 B16R1.4780 COc1cc(ccc1CSC[C@@H](O)CF)F 62a_200010171551_100015614560 [0,1,0,0,0,1|1,1,0]=4 12389 B16R1.4780 COc1cc(ccc1CSC[C@@H](O)CO)Br 62a_100009815848_100012359436 [0,1,0,0,0,1|0,1,0]=3 12390 B16R1.4780 COc1cc(ccc1CSC[C@@H](O)CO)Br 62a_100012359436_100009815848 [0,1,0,0,0,1|0,1,0]=3 12391 B16R1.4780 COc1cc(ccc1CSC[C@@H](O)CO)F 62a_100009815848_200010171551 [0,1,0,0,0,1|0,1,0]=3 12392 B16R1.4780 COc1cc(ccc1CSC[C@@H](O)CO)F 62a_200010171551_100009815848 [0,1,0,0,0,1|0,1,0]=3 12393 B16R1.4780 COc1cc(ccc1NN=CC(O)CO)Cl 4a_100103168642_100000033539 [0,1,0,0,0,1|1,0,1]=4 12394 B16R1.4780 COc1cc(ccc1OCCC(=O)CO)C 1458a_100000210174_100011259456 [0,1,0,0,0,1|0,0,2]=4 12395 B16R1.4780 COc1cc(cnc1CNC[C@H](O)CO)Br 207a_100020644852_100010246152 [0,1,0,0,0,1|2,0,0]=4 12396 B16R1.4780 COc1cc(cnc1COCC(O)CO)Br 34a_200010246159_100011219619 [0,1,0,0,0,1|1,0,0]=3 12397 B16R1.4780 COc1cc(cnc1COCC(O)CO)Br 7a_200010246159_100011219619 [0,1,0,0,0,1|1,0,0]=3 12398 B16R1.4780 COc1cc(cnc1COC[C@@H](C)CO)Br 34a_200010246159_100000059175 [0,1,0,0,0,1|2,0,0]=4 12399 B16R1.4780 COc1cc(cnc1COC[C@@H](C)CO)Br 7a_200010246159_100000059175 [0,1,0,0,0,1|2,0,0]=4 12400 B16R1.4780 COc1cc(cnc1COC[C@@H](O)CF)Br 34a_200010246159_100015614560 [0,1,0,0,0,1|2,0,0]=4 12401 B16R1.4780 COc1cc(cnc1COC[C@@H](O)CF)Br 7a_200010246159_100015614560 [0,1,0,0,0,1|2,0,0]=4 12402 B16R1.4780 COc1cc(cnc1COC[C@@H](O)CO)Br 34a_200010246159_100009815848 [0,1,0,0,0,1|1,0,0]=3 12403 B16R1.4780 COc1cc(cnc1COC[C@@H](O)CO)Br 7a_200010246159_100009815848 [0,1,0,0,0,1|1,0,0]=3 12404 B16R1.4780 COc1cc(ncc1COCC(O)CO)Cl 34a_100010714672_100011219619 [0,1,0,0,0,1|1,0,0]=3 12405 B16R1.4780 COc1cc(ncc1COC[C@@H](C)CO)Cl 34a_100010714672_100000059175 [0,1,0,0,0,1|2,0,0]=4 12406 B16R1.4780 COc1cc(ncc1COC[C@@H](O)CF)Cl 34a_100010714672_100015614560 [0,1,0,0,0,1|2,0,0]=4 12407 B16R1.4780 COc1cc(ncc1COC[C@@H](O)CO)Cl 34a_100010714672_100009815848 [0,1,0,0,0,1|1,0,0]=3 12408 B16R1.4780 COc1nc(ccc1CNCC(O)CO)Cl 2230a_100015687481_100011219619 [0,1,0,0,0,1|2,0,0]=4 12409 B16R1.4780 COc1nc(ccc1CNCC(O)CO)Cl 34a_100015687481_100011219619 [0,1,0,0,0,1|2,0,0]=4 12410 B16R1.4780 COc1nc(ccc1CNC[C@@H](O)CO)Cl 2230a_100015687481_100009815848 [0,1,0,0,0,1|2,0,0]=4 12411 B16R1.4780 COc1nc(ccc1CNC[C@@H](O)CO)Cl 34a_100015687481_100009815848 [0,1,0,0,0,1|2,0,0]=4 12412 B16R1.4780 COc1nc(ccc1CNC[C@H](O)CO)Br 2230a_100020644852_100016029037 [0,1,0,0,0,1|2,0,0]=4 12413 B16R1.4780 COc1nc(ccc1COCC(O)CO)Br 34a_100010988397_100011219619 [0,1,0,0,0,1|1,0,0]=3 12414 B16R1.4780 COc1nc(ccc1COCC(O)CO)Cl 34a_200009869906_100011219619 [0,1,0,0,0,1|1,0,0]=3 12415 B16R1.4780 COc1nc(ccc1COC[C@@H](C)CO)Br 34a_100010988397_100000059175 [0,1,0,0,0,1|2,0,0]=4 12416 B16R1.4780 COc1nc(ccc1COC[C@@H](C)CO)Cl 34a_200009869906_100000059175 [0,1,0,0,0,1|2,0,0]=4 12417 B16R1.4780 COc1nc(ccc1COC[C@@H](O)CF)Br 34a_100010988397_100015614560 [0,1,0,0,0,1|2,0,0]=4 12418 B16R1.4780 COc1nc(ccc1COC[C@@H](O)CF)Cl 34a_200009869906_100015614560 [0,1,0,0,0,1|2,0,0]=4 12419 B16R1.4780 COc1nc(ccc1COC[C@@H](O)CO)Br 34a_100010988397_100009815848 [0,1,0,0,0,1|1,0,0]=3 12420 B16R1.4780 COc1nc(ccc1COC[C@@H](O)CO)Cl 34a_200009869906_100009815848 [0,1,0,0,0,1|1,0,0]=3 12421 B16R1.4780 COc1nc(ccc1CSCC(O)CO)Br 62a_100011219619_100016029037 [0,1,0,0,0,1|1,1,0]=4 12422 B16R1.4780 COc1nc(ccc1CSCC(O)CO)Br 62a_100016029037_100011219619 [0,1,0,0,0,1|1,1,0]=4 12423 B16R1.4780 COc1nc(ccc1CSC[C@@H](O)CO)Br 62a_100009815848_100016029037 [0,1,0,0,0,1|1,1,0]=4 12424 B16R1.4780 COc1nc(ccc1CSC[C@@H](O)CO)Br 62a_100016029037_100009815848 [0,1,0,0,0,1|1,1,0]=4 12425 B16R1.4780 COc1nc(ncc1COCC(O)CO)Cl 34a_200011024631_100011219619 [0,1,0,0,0,1|2,0,0]=4 12426 B16R1.4780 COc1nc(ncc1COC[C@@H](O)CO)Cl 34a_200011024631_100009815848 [0,1,0,0,0,1|2,0,0]=4 12427 B16R1.5567 C=CC(O)COC(C)c1ccccc1OC 7a_100000742714_100000730141 [0,1,0,0,0,1|1,0,1]=4 12428 B16R1.5567 CCC(C)COC(C)c1ccccc1OC 7a_100000742714_100000748023 [0,1,0,0,0,1|2,0,0]=4 12429 B16R1.5567 CCC(O)CNC(=O)c1ccccc1OC 11a_100011218483_100000185835 [0,1,0,0,0,1|2,0,0]=4 12430 B16R1.5567 CCC(O)CNC(=O)c1ccccc1OC 240690a_100011218483_100000185835 [0,1,0,0,0,1|2,0,0]=4 12431 B16R1.5567 CCC(O)CNC(=O)c1ccccc1OC 527a_100011218483_100000185835 [0,1,0,0,0,1|2,0,0]=4 12432 B16R1.5567 CCC(O)CNC(C)c1ccccc1OC 2230a_100000185323_100011218378 [0,1,0,0,0,1|2,0,0]=4 12433 B16R1.5567 CCC(O)CNC(C)c1ccccc1OC 269862a_100011218483_100000173324 [0,1,0,0,0,1|2,0,0]=4 12434 B16R1.5567 CCC(O)COC(C)c1ccccc1OC 7a_100000742714_100011218378 [0,1,0,0,0,1|1,0,0]=3 12435 B16R1.5567 CC[C@H](C)COC(C)c1ccccc1OC 7a_100000742714_100009816398 [0,1,0,0,0,1|2,0,0]=4 12436 B16R1.5567 CCc1ccccc1C(=O)NC[C@H](O)CO 240690a_100020644852_100000689120 [0,1,0,0,0,1|2,0,0]=4 12437 B16R1.5567 CCc1ccccc1C(=O)NC[C@H](O)CO 527a_100020644852_100000689120 [0,1,0,0,0,1|2,0,0]=4 12438 B16R1.5567 COc1ccccc1C(=O)CS[C@H](C)CO 62a_100000195505_100016084084 [0,1,0,0,0,1|2,0,0]=4 12439 B16R1.5567 COc1ccccc1C(=O)NCC(C)CO 240690a_100000744482_100000185835 [0,1,0,0,0,1|2,0,0]=4 12440 B16R1.5567 COc1ccccc1C(=O)NCC(C)CO 527a_100000744482_100000185835 [0,1,0,0,0,1|2,0,0]=4 12441 B16R1.5567 COc1ccccc1C(=O)NC[C@@H](F)CO 240690a_100015665980_100000185835 [0,1,0,0,0,1|2,0,0]=4 12442 B16R1.5567 COc1ccccc1C(=O)NC[C@@H](F)CO 527a_100015665980_100000185835 [0,1,0,0,0,1|2,0,0]=4 12443 B16R1.5567 COc1ccccc1C(=O)NC[C@H](O)CO 240690a_100020644852_100000185835 [0,1,0,0,0,1|1,0,0]=3 12444 B16R1.5567 COc1ccccc1C(=O)NC[C@H](O)CO 527a_100020644852_100000185835 [0,1,0,0,0,1|1,0,0]=3 12445 B16R1.5567 COc1ccccc1C(C)NCC(C)CO 269862a_100000744482_100000173324 [0,1,0,0,0,1|2,0,0]=4 12446 B16R1.5567 COc1ccccc1C(C)NCC(O)CO 2230a_100000185323_100011219619 [0,1,0,0,0,1|1,0,0]=3 12447 B16R1.5567 COc1ccccc1C(C)NC[C@@H](C)CO 2230a_100000185323_100000059175 [0,1,0,0,0,1|2,0,0]=4 12448 B16R1.5567 COc1ccccc1C(C)NC[C@@H](F)CO 269862a_100015665980_100000173324 [0,1,0,0,0,1|2,0,0]=4 12449 B16R1.5567 COc1ccccc1C(C)NC[C@@H](O)CF 2230a_100000185323_100015614560 [0,1,0,0,0,1|2,0,0]=4 12450 B16R1.5567 COc1ccccc1C(C)NC[C@@H](O)CO 2230a_100000185323_100009815848 [0,1,0,0,0,1|1,0,0]=3 12451 B16R1.5567 COc1ccccc1C(C)NC[C@H](O)CO 269862a_100020644852_100000173324 [0,1,0,0,0,1|1,0,0]=3 12452 B16R1.5567 COc1ccccc1C(C)OCC(O)CO 7a_100000742714_100011219619 [0,1,0,0,0,1|0,0,0]=2 12453 B16R1.5567 COc1ccccc1C(C)OC[C@@H](C)CO 7a_100000742714_100000059175 [0,1,0,0,0,1|1,0,0]=3 12454 B16R1.5567 COc1ccccc1C(C)OC[C@@H](O)CF 7a_100000742714_100015614560 [0,1,0,0,0,1|1,0,0]=3 12455 B16R1.5567 COc1ccccc1C(C)OC[C@@H](O)CO 7a_100000742714_100009815848 [0,1,0,0,0,1|0,0,0]=2 12456 B16R1.5567 COc1ccccc1C(N)COC(C)CO 34a_100000756845_100012180447 [0,1,0,0,0,1|2,0,0]=4 12457 B16R1.5567 COc1cccnc1C(C)NC[C@H](O)CO 269862a_100020644852_100012185210 [0,1,0,0,0,1|2,0,0]=4 12458 B16R1.5567 COc1ncccc1C(C)NC[C@H](O)CO 269862a_100020644852_100012184464 [0,1,0,0,0,1|2,0,0]=4 12459 B16R1.5567 CSc1ccccc1C(=O)NC[C@H](O)CO 240690a_100020644852_100000183967 [0,1,0,0,0,1|1,1,0]=4 12460 B16R1.5567 CSc1ccccc1C(=O)NC[C@H](O)CO 527a_100020644852_100000183967 [0,1,0,0,0,1|1,1,0]=4 12461 B16R1.5594 CCC(O)CC(=O)Cc1ccccc1OC 1458a_100000211604_100011218378 [0,1,0,0,0,1|2,0,0]=4 12462 B16R1.5594 CCC(O)CC(=O)Cc1ccccc1OC 1458a_100011667805_100000210004 [0,1,0,0,0,1|2,0,0]=4 12463 B16R1.5594 CCC(O)CC(=O)Nc1ccccc1OC 1626a_100000210025_100011667805 [0,1,0,0,0,1|2,0,0]=4 12464 B16R1.5594 CCC(O)CC(=O)Nc1ccccc1OC 22a_100000210025_100011667805 [0,1,0,0,0,1|2,0,0]=4 12465 B16R1.5594 CCC(O)CN(C)Cc1ccccc1OC 2230a_100000184376_100011218378 [0,1,0,0,0,1|2,0,0]=4 12466 B16R1.5594 CCC(O)CN(C)Cc1ccccc1OC 269982a_100000184376_100011218378 [0,1,0,0,0,1|2,0,0]=4 12467 B16R1.5594 CCc1ccccc1CN(C)CC(O)CO 270004a_100011216503_100011219594 [0,1,0,0,0,1|2,0,0]=4 12468 B16R1.5594 COc1ccccc1CC(=O)C[C@@H](C)CO 1458a_100000211604_100000059175 [0,1,0,0,0,1|2,0,0]=4 12469 B16R1.5594 COc1ccccc1CC(C)N[C@H](C)CO 270004a_100000737577_100000211486 [0,1,0,0,0,1|2,0,0]=4 12470 B16R1.5594 COc1ccccc1CC(C)OC(C)CO 7a_100000691916_100012180447 [0,1,0,0,0,1|2,0,0]=4 12471 B16R1.5594 COc1ccccc1CN(C)CC(O)CO 2230a_100000184376_100011219619 [0,1,0,0,0,1|1,0,0]=3 12472 B16R1.5594 COc1ccccc1CN(C)CC(O)CO 2230a_100011216503_100000210004 [0,1,0,0,0,1|1,0,0]=3 12473 B16R1.5594 COc1ccccc1CN(C)CC(O)CO 269982a_100011216503_100000210004 [0,1,0,0,0,1|1,0,0]=3 12474 B16R1.5594 COc1ccccc1CN(C)CC(O)CO 270004a_100011216503_100000169842 [0,1,0,0,0,1|1,0,0]=3 12475 B16R1.5594 COc1ccccc1CN(C)C[C@@H](C)CO 2230a_100000184376_100000059175 [0,1,0,0,0,1|2,0,0]=4 12476 B16R1.5594 COc1ccccc1CN(C)C[C@@H](C)CO 269982a_100000184376_100000059175 [0,1,0,0,0,1|2,0,0]=4 12477 B16R1.5594 COc1ccccc1CN(C)C[C@@H](O)CF 2230a_100000184376_100015614560 [0,1,0,0,0,1|2,0,0]=4 12478 B16R1.5594 COc1ccccc1CN(C)C[C@@H](O)CO 2230a_100000184376_100009815848 [0,1,0,0,0,1|1,0,0]=3 12479 B16R1.5594 COc1cccnc1CN(C)CC(O)CO 270004a_100011216503_100011912573 [0,1,0,0,0,1|2,0,0]=4 12480 B16R1.5594 COc1ccncc1CN(C)CC(O)CO 270004a_100011216503_200011997045 [0,1,0,0,0,1|2,0,0]=4 12481 B16R1.5594 COc1cnccc1CN(C)CC(O)CO 2230a_100011216503_100020635607 [0,1,0,0,0,1|2,0,0]=4 12482 B16R1.5594 COc1cnccc1CN(C)CC(O)CO 270004a_100011216503_100011361505 [0,1,0,0,0,1|2,0,0]=4 12483 B16R1.5594 COc1ncccc1CN(C)CC(O)CO 2230a_100011216503_100020631285 [0,1,0,0,0,1|2,0,0]=4 12484 B16R1.5594 COc1ncccc1CN(C)CC(O)CO 270004a_100011216503_100011290804 [0,1,0,0,0,1|2,0,0]=4 12485 B16R1.5594 CSc1ccccc1CN(C)CC(O)CO 2230a_100011216503_100000699184 [0,1,0,0,0,1|1,1,0]=4 12486 B16R1.5594 CSc1ccccc1CN(C)CC(O)CO 269982a_100011216503_100000699184 [0,1,0,0,0,1|1,1,0]=4 12487 B16R1.5594 CSc1ccccc1CN(C)CC(O)CO 270004a_100011216503_100011217347 [0,1,0,0,0,1|1,1,0]=4 12488 B16R1.6227 C=CC(O)COCc1cccc(c1OC)Br 34a_100000704359_100000730141 [0,1,0,0,0,1|1,0,1]=4 12489 B16R1.6227 C=CC(O)COCc1cccc(c1OC)Br 7a_100000704359_100000730141 [0,1,0,0,0,1|1,0,1]=4 12490 B16R1.6227 C=CC(O)COCc1cccc(c1OC)C 34a_100012184769_100000730141 [0,1,0,0,0,1|1,0,1]=4 12491 B16R1.6227 C=CC(O)COCc1cccc(c1OC)C 7a_100012184769_100000730141 [0,1,0,0,0,1|1,0,1]=4 12492 B16R1.6227 C=CC(O)COCc1cccc(c1OC)F 34a_100011830279_100000730141 [0,1,0,0,0,1|1,0,1]=4 12493 B16R1.6227 C=CC(O)COCc1cccc(c1OC)F 7a_100011830279_100000730141 [0,1,0,0,0,1|1,0,1]=4 12494 B16R1.6227 CCC(C)COCc1cccc(c1OC)Br 34a_100000704359_100000748023 [0,1,0,0,0,1|2,0,0]=4 12495 B16R1.6227 CCC(C)COCc1cccc(c1OC)Br 7a_100000704359_100000748023 [0,1,0,0,0,1|2,0,0]=4 12496 B16R1.6227 CCC(C)COCc1cccc(c1OC)C 34a_100012184769_100000748023 [0,1,0,0,0,1|2,0,0]=4 12497 B16R1.6227 CCC(C)COCc1cccc(c1OC)C 7a_100012184769_100000748023 [0,1,0,0,0,1|2,0,0]=4 12498 B16R1.6227 CCC(C)COCc1cccc(c1OC)F 34a_100011830279_100000748023 [0,1,0,0,0,1|2,0,0]=4 12499 B16R1.6227 CCC(C)COCc1cccc(c1OC)F 7a_100011830279_100000748023 [0,1,0,0,0,1|2,0,0]=4 12500 B16R1.6227 CCC(O)CNCc1cccc(c1OC)Br 207a_100011218483_100000692592 [0,1,0,0,0,1|2,0,0]=4 12501 B16R1.6227 CCC(O)CNCc1cccc(c1OC)Br 2230a_100011218483_100011470457 [0,1,0,0,0,1|2,0,0]=4 12502 B16R1.6227 CCC(O)CNCc1cccc(c1OC)Br 270004a_100011218483_100000692592 [0,1,0,0,0,1|2,0,0]=4 12503 B16R1.6227 CCC(O)CNCc1cccc(c1OC)C 207a_100011218483_100011361485 [0,1,0,0,0,1|2,0,0]=4 12504 B16R1.6227 CCC(O)CNCc1cccc(c1OC)C 2230a_100011218483_100012349798 [0,1,0,0,0,1|2,0,0]=4 12505 B16R1.6227 CCC(O)CNCc1cccc(c1OC)C 270004a_100011218483_100011361485 [0,1,0,0,0,1|2,0,0]=4 12506 B16R1.6227 CCC(O)CNCc1cccc(c1OC)Cl 207a_100011218483_100011466644 [0,1,0,0,0,1|2,0,0]=4 12507 B16R1.6227 CCC(O)CNCc1cccc(c1OC)Cl 270004a_100011218483_100011466644 [0,1,0,0,0,1|2,0,0]=4 12508 B16R1.6227 CCC(O)CNCc1cccc(c1OC)F 207a_100011218483_100011830294 [0,1,0,0,0,1|2,0,0]=4 12509 B16R1.6227 CCC(O)CNCc1cccc(c1OC)F 270004a_100011218483_100011830294 [0,1,0,0,0,1|2,0,0]=4 12510 B16R1.6227 CCC(O)CNCc1cccc(c1OC)F 34a_100137345168_100011218378 [0,1,0,0,0,1|2,0,0]=4 12511 B16R1.6227 CCC(O)COCc1cccc(c1OC)Br 34a_100000704359_100011218378 [0,1,0,0,0,1|1,0,0]=3 12512 B16R1.6227 CCC(O)COCc1cccc(c1OC)Br 7a_100000704359_100011218378 [0,1,0,0,0,1|1,0,0]=3 12513 B16R1.6227 CCC(O)COCc1cccc(c1OC)C 34a_100012184769_100011218378 [0,1,0,0,0,1|1,0,0]=3 12514 B16R1.6227 CCC(O)COCc1cccc(c1OC)C 7a_100012184769_100011218378 [0,1,0,0,0,1|1,0,0]=3 12515 B16R1.6227 CCC(O)COCc1cccc(c1OC)F 34a_100011830279_100011218378 [0,1,0,0,0,1|1,0,0]=3 12516 B16R1.6227 CCC(O)COCc1cccc(c1OC)F 7a_100011830279_100011218378 [0,1,0,0,0,1|1,0,0]=3 12517 B16R1.6227 CCC(O)COCc1nccc(c1OC)Cl 34a_100009869429_100011218378 [0,1,0,0,0,1|2,0,0]=4 12518 B16R1.6227 CCC(O)CSCc1cccc(c1OC)Br 62a_100011218378_100011470457 [0,1,0,0,0,1|1,1,0]=4 12519 B16R1.6227 CCC(O)CSCc1cccc(c1OC)Br 62a_100011470457_100011218378 [0,1,0,0,0,1|1,1,0]=4 12520 B16R1.6227 CCC(O)CSCc1cccc(c1OC)C 62a_100011218378_100012349798 [0,1,0,0,0,1|1,1,0]=4 12521 B16R1.6227 CCC(O)CSCc1cccc(c1OC)C 62a_100012349798_100011218378 [0,1,0,0,0,1|1,1,0]=4 12522 B16R1.6227 CC[C@H](C)COCc1cccc(c1OC)Br 34a_100000704359_100009816398 [0,1,0,0,0,1|2,0,0]=4 12523 B16R1.6227 CC[C@H](C)COCc1cccc(c1OC)Br 7a_100000704359_100009816398 [0,1,0,0,0,1|2,0,0]=4 12524 B16R1.6227 CC[C@H](C)COCc1cccc(c1OC)Br 7a_100009816381_100011470457 [0,1,0,0,0,1|2,0,0]=4 12525 B16R1.6227 CC[C@H](C)COCc1cccc(c1OC)C 34a_100012184769_100009816398 [0,1,0,0,0,1|2,0,0]=4 12526 B16R1.6227 CC[C@H](C)COCc1cccc(c1OC)C 7a_100009816381_100012349798 [0,1,0,0,0,1|2,0,0]=4 12527 B16R1.6227 CC[C@H](C)COCc1cccc(c1OC)C 7a_100012184769_100009816398 [0,1,0,0,0,1|2,0,0]=4 12528 B16R1.6227 CC[C@H](C)COCc1cccc(c1OC)F 34a_100011830279_100009816398 [0,1,0,0,0,1|2,0,0]=4 12529 B16R1.6227 CC[C@H](C)COCc1cccc(c1OC)F 7a_100011830279_100009816398 [0,1,0,0,0,1|2,0,0]=4 12530 B16R1.6227 COc1c(cccc1CNCC(C)CO)Br 207a_100000744482_100000692592 [0,1,0,0,0,1|2,0,0]=4 12531 B16R1.6227 COc1c(cccc1CNCC(C)CO)Br 34a_100000744482_100011470457 [0,1,0,0,0,1|2,0,0]=4 12532 B16R1.6227 COc1c(cccc1CNCC(C)CO)C 207a_100000744482_100011361485 [0,1,0,0,0,1|2,0,0]=4 12533 B16R1.6227 COc1c(cccc1CNCC(C)CO)C 34a_100000744482_100012349798 [0,1,0,0,0,1|2,0,0]=4 12534 B16R1.6227 COc1c(cccc1CNCC(C)CO)Cl 207a_100000744482_100011466644 [0,1,0,0,0,1|2,0,0]=4 12535 B16R1.6227 COc1c(cccc1CNCC(C)CO)F 207a_100000744482_100011830294 [0,1,0,0,0,1|2,0,0]=4 12536 B16R1.6227 COc1c(cccc1CNCC(O)CO)F 34a_100137345168_100011219619 [0,1,0,0,0,1|1,0,0]=3 12537 B16R1.6227 COc1c(cccc1CNC[C@@H](C)CO)F 34a_100137345168_100000059175 [0,1,0,0,0,1|2,0,0]=4 12538 B16R1.6227 COc1c(cccc1CNC[C@@H](F)CO)Br 207a_100015665980_100000692592 [0,1,0,0,0,1|2,0,0]=4 12539 B16R1.6227 COc1c(cccc1CNC[C@@H](F)CO)Br 270004a_100015665980_100000692592 [0,1,0,0,0,1|2,0,0]=4 12540 B16R1.6227 COc1c(cccc1CNC[C@@H](F)CO)Br 34a_100015665980_100011470457 [0,1,0,0,0,1|2,0,0]=4 12541 B16R1.6227 COc1c(cccc1CNC[C@@H](F)CO)C 207a_100015665980_100011361485 [0,1,0,0,0,1|2,0,0]=4 12542 B16R1.6227 COc1c(cccc1CNC[C@@H](F)CO)C 270004a_100015665980_100011361485 [0,1,0,0,0,1|2,0,0]=4 12543 B16R1.6227 COc1c(cccc1CNC[C@@H](F)CO)C 34a_100015665980_100012349798 [0,1,0,0,0,1|2,0,0]=4 12544 B16R1.6227 COc1c(cccc1CNC[C@@H](F)CO)Cl 207a_100015665980_100011466644 [0,1,0,0,0,1|2,0,0]=4 12545 B16R1.6227 COc1c(cccc1CNC[C@@H](F)CO)Cl 270004a_100015665980_100011466644 [0,1,0,0,0,1|2,0,0]=4 12546 B16R1.6227 COc1c(cccc1CNC[C@@H](F)CO)F 207a_100015665980_100011830294 [0,1,0,0,0,1|2,0,0]=4 12547 B16R1.6227 COc1c(cccc1CNC[C@@H](F)CO)F 270004a_100015665980_100011830294 [0,1,0,0,0,1|2,0,0]=4 12548 B16R1.6227 COc1c(cccc1CNC[C@@H](O)CF)F 34a_100137345168_100015614560 [0,1,0,0,0,1|2,0,0]=4 12549 B16R1.6227 COc1c(cccc1CNC[C@@H](O)CO)F 34a_100137345168_100009815848 [0,1,0,0,0,1|1,0,0]=3 12550 B16R1.6227 COc1c(cccc1CNC[C@H](O)CO)Br 207a_100020644852_100000692592 [0,1,0,0,0,1|1,0,0]=3 12551 B16R1.6227 COc1c(cccc1CNC[C@H](O)CO)Br 2230a_100020644852_100011470457 [0,1,0,0,0,1|1,0,0]=3 12552 B16R1.6227 COc1c(cccc1CNC[C@H](O)CO)C 207a_100020644852_100011361485 [0,1,0,0,0,1|1,0,0]=3 12553 B16R1.6227 COc1c(cccc1CNC[C@H](O)CO)C 2230a_100020644852_100012349798 [0,1,0,0,0,1|1,0,0]=3 12554 B16R1.6227 COc1c(cccc1CNC[C@H](O)CO)Cl 207a_100020644852_100011466644 [0,1,0,0,0,1|1,0,0]=3 12555 B16R1.6227 COc1c(cccc1CNC[C@H](O)CO)F 207a_100020644852_100011830294 [0,1,0,0,0,1|1,0,0]=3 12556 B16R1.6227 COc1c(cccc1COCC(C)CN)Br 34a_100000744482_100011470457 [0,1,0,0,0,1|2,0,0]=4 12557 B16R1.6227 COc1c(cccc1COCC(C)CN)C 34a_100000744482_100012349798 [0,1,0,0,0,1|2,0,0]=4 12558 B16R1.6227 COc1c(cccc1COCC(Cl)CCl)Br 34a_100000033668_100011470457 [0,1,0,0,0,1|2,0,0]=4 12559 B16R1.6227 COc1c(cccc1COCC(Cl)CCl)C 34a_100000033668_100012349798 [0,1,0,0,0,1|2,0,0]=4 12560 B16R1.6227 COc1c(cccc1COCC(O)CO)Br 34a_100000704359_100011219619 [0,1,0,0,0,1|0,0,0]=2 12561 B16R1.6227 COc1c(cccc1COCC(O)CO)Br 7a_100000704359_100011219619 [0,1,0,0,0,1|0,0,0]=2 12562 B16R1.6227 COc1c(cccc1COCC(O)CO)C 34a_100012184769_100011219619 [0,1,0,0,0,1|0,0,0]=2 12563 B16R1.6227 COc1c(cccc1COCC(O)CO)C 7a_100012184769_100011219619 [0,1,0,0,0,1|0,0,0]=2 12564 B16R1.6227 COc1c(cccc1COCC(O)CO)F 34a_100011830279_100011219619 [0,1,0,0,0,1|0,0,0]=2 12565 B16R1.6227 COc1c(cccc1COCC(O)CO)F 7a_100011830279_100011219619 [0,1,0,0,0,1|0,0,0]=2 12566 B16R1.6227 COc1c(cccc1COC[C@@H](C)CO)Br 34a_100000704359_100000059175 [0,1,0,0,0,1|1,0,0]=3 12567 B16R1.6227 COc1c(cccc1COC[C@@H](C)CO)Br 7a_100000704359_100000059175 [0,1,0,0,0,1|1,0,0]=3 12568 B16R1.6227 COc1c(cccc1COC[C@@H](C)CO)C 34a_100012184769_100000059175 [0,1,0,0,0,1|1,0,0]=3 12569 B16R1.6227 COc1c(cccc1COC[C@@H](C)CO)C 7a_100012184769_100000059175 [0,1,0,0,0,1|1,0,0]=3 12570 B16R1.6227 COc1c(cccc1COC[C@@H](C)CO)F 34a_100011830279_100000059175 [0,1,0,0,0,1|1,0,0]=3 12571 B16R1.6227 COc1c(cccc1COC[C@@H](C)CO)F 7a_100011830279_100000059175 [0,1,0,0,0,1|1,0,0]=3 12572 B16R1.6227 COc1c(cccc1COC[C@@H](O)CF)Br 34a_100000704359_100015614560 [0,1,0,0,0,1|1,0,0]=3 12573 B16R1.6227 COc1c(cccc1COC[C@@H](O)CF)Br 7a_100000704359_100015614560 [0,1,0,0,0,1|1,0,0]=3 12574 B16R1.6227 COc1c(cccc1COC[C@@H](O)CF)C 34a_100012184769_100015614560 [0,1,0,0,0,1|1,0,0]=3 12575 B16R1.6227 COc1c(cccc1COC[C@@H](O)CF)C 7a_100012184769_100015614560 [0,1,0,0,0,1|1,0,0]=3 12576 B16R1.6227 COc1c(cccc1COC[C@@H](O)CF)F 34a_100011830279_100015614560 [0,1,0,0,0,1|1,0,0]=3 12577 B16R1.6227 COc1c(cccc1COC[C@@H](O)CF)F 7a_100011830279_100015614560 [0,1,0,0,0,1|1,0,0]=3 12578 B16R1.6227 COc1c(cccc1COC[C@@H](O)CO)Br 34a_100000704359_100009815848 [0,1,0,0,0,1|0,0,0]=2 12579 B16R1.6227 COc1c(cccc1COC[C@@H](O)CO)Br 7a_100000704359_100009815848 [0,1,0,0,0,1|0,0,0]=2 12580 B16R1.6227 COc1c(cccc1COC[C@@H](O)CO)C 34a_100012184769_100009815848 [0,1,0,0,0,1|0,0,0]=2 12581 B16R1.6227 COc1c(cccc1COC[C@@H](O)CO)C 7a_100012184769_100009815848 [0,1,0,0,0,1|0,0,0]=2 12582 B16R1.6227 COc1c(cccc1COC[C@@H](O)CO)F 34a_100011830279_100009815848 [0,1,0,0,0,1|0,0,0]=2 12583 B16R1.6227 COc1c(cccc1COC[C@@H](O)CO)F 7a_100011830279_100009815848 [0,1,0,0,0,1|0,0,0]=2 12584 B16R1.6227 COc1c(cccc1COC[C@H](F)CN)Br 34a_100015665980_100011470457 [0,1,0,0,0,1|2,0,0]=4 12585 B16R1.6227 COc1c(cccc1COC[C@H](F)CN)C 34a_100015665980_100012349798 [0,1,0,0,0,1|2,0,0]=4 12586 B16R1.6227 COc1c(cccc1CSCC(O)CO)Br 62a_100011219619_100011470457 [0,1,0,0,0,1|0,1,0]=3 12587 B16R1.6227 COc1c(cccc1CSCC(O)CO)Br 62a_100011470457_100011219619 [0,1,0,0,0,1|0,1,0]=3 12588 B16R1.6227 COc1c(cccc1CSCC(O)CO)C 62a_100011219619_100012349798 [0,1,0,0,0,1|0,1,0]=3 12589 B16R1.6227 COc1c(cccc1CSCC(O)CO)C 62a_100012349798_100011219619 [0,1,0,0,0,1|0,1,0]=3 12590 B16R1.6227 COc1c(cccc1CSC[C@@H](C)CO)Br 62a_100000059175_100011470457 [0,1,0,0,0,1|1,1,0]=4 12591 B16R1.6227 COc1c(cccc1CSC[C@@H](C)CO)Br 62a_100011470457_100000059175 [0,1,0,0,0,1|1,1,0]=4 12592 B16R1.6227 COc1c(cccc1CSC[C@@H](C)CO)C 62a_100000059175_100012349798 [0,1,0,0,0,1|1,1,0]=4 12593 B16R1.6227 COc1c(cccc1CSC[C@@H](C)CO)C 62a_100012349798_100000059175 [0,1,0,0,0,1|1,1,0]=4 12594 B16R1.6227 COc1c(cccc1CSC[C@@H](O)CF)Br 62a_100011470457_100015614560 [0,1,0,0,0,1|1,1,0]=4 12595 B16R1.6227 COc1c(cccc1CSC[C@@H](O)CF)Br 62a_100015614560_100011470457 [0,1,0,0,0,1|1,1,0]=4 12596 B16R1.6227 COc1c(cccc1CSC[C@@H](O)CF)C 62a_100012349798_100015614560 [0,1,0,0,0,1|1,1,0]=4 12597 B16R1.6227 COc1c(cccc1CSC[C@@H](O)CF)C 62a_100015614560_100012349798 [0,1,0,0,0,1|1,1,0]=4 12598 B16R1.6227 COc1c(cccc1CSC[C@@H](O)CO)Br 62a_100009815848_100011470457 [0,1,0,0,0,1|0,1,0]=3 12599 B16R1.6227 COc1c(cccc1CSC[C@@H](O)CO)Br 62a_100011470457_100009815848 [0,1,0,0,0,1|0,1,0]=3 12600 B16R1.6227 COc1c(cccc1CSC[C@@H](O)CO)C 62a_100009815848_100012349798 [0,1,0,0,0,1|0,1,0]=3 12601 B16R1.6227 COc1c(cccc1CSC[C@@H](O)CO)C 62a_100012349798_100009815848 [0,1,0,0,0,1|0,1,0]=3 12602 B16R1.6227 COc1c(ccnc1CNC[C@H](O)CO)Cl 2230a_100020644852_100015371371 [0,1,0,0,0,1|2,0,0]=4 12603 B16R1.6227 COc1c(ccnc1COCC(O)CO)Cl 34a_100009869429_100011219619 [0,1,0,0,0,1|1,0,0]=3 12604 B16R1.6227 COc1c(ccnc1COC[C@@H](C)CO)Cl 34a_100009869429_100000059175 [0,1,0,0,0,1|2,0,0]=4 12605 B16R1.6227 COc1c(ccnc1COC[C@@H](O)CF)Cl 34a_100009869429_100015614560 [0,1,0,0,0,1|2,0,0]=4 12606 B16R1.6227 COc1c(ccnc1COC[C@@H](O)CO)Cl 34a_100009869429_100009815848 [0,1,0,0,0,1|1,0,0]=3 12607 B16R1.6227 COc1c(ccnc1CSCC(O)CO)Cl 62a_100011219619_100015371371 [0,1,0,0,0,1|1,1,0]=4 12608 B16R1.6227 COc1c(ccnc1CSCC(O)CO)Cl 62a_100015371371_100011219619 [0,1,0,0,0,1|1,1,0]=4 12609 B16R1.6227 COc1c(ccnc1CSC[C@@H](O)CO)Cl 62a_100009815848_100015371371 [0,1,0,0,0,1|1,1,0]=4 12610 B16R1.6227 COc1c(ccnc1CSC[C@@H](O)CO)Cl 62a_100015371371_100009815848 [0,1,0,0,0,1|1,1,0]=4 12611 B16R1.6227 COc1c(ccnc1Cl)CNC[C@H](O)CO 207a_100020644852_100009863717 [0,1,0,0,0,1|2,0,0]=4 12612 B16R1.6227 COc1c(cncc1CNC[C@H](O)CO)Br 207a_100020644852_100015834815 [0,1,0,0,0,1|2,0,0]=4 12613 B16R1.18660 C=C[C@@H](CO)NCCc1ccccc1OC 2230a_100016989147_100011713687 [0,1,0,0,0,1|2,0,0]=4 12614 B16R1.18660 C=C[C@@H](CO)NCCc1ccccc1OC 270004a_100016989147_100011713418 [0,1,0,0,0,1|2,0,0]=4 12615 B16R1.18660 C=C[C@@H](CO)NCCc1ccccc1OC 34a_100016989147_100011713687 [0,1,0,0,0,1|2,0,0]=4 12616 B16R1.18660 CCC(CC)COCc1ccccc1OC 34a_100000211301_100011215472 [0,1,0,0,0,1|2,0,0]=4 12617 B16R1.18660 CCC(CC)COCc1ccccc1OC 7a_100000703878_100000210004 [0,1,0,0,0,1|2,0,0]=4 12618 B16R1.18660 CCC(CNCc1ccccc1OC)OC 207a_100000731041_100000169842 [0,1,0,0,0,1|2,0,0]=4 12619 B16R1.18660 CCC(CNCc1ccccc1OC)OC 270004a_100000731041_100000169842 [0,1,0,0,0,1|2,0,0]=4 12620 B16R1.18660 CCC(COCc1ccccc1OC)OC 34a_100011934954_100000210004 [0,1,0,0,0,1|1,0,0]=3 12621 B16R1.18660 CCC(COCc1ccccc1OC)OC 7a_100011934954_100000210004 [0,1,0,0,0,1|1,0,0]=3 12622 B16R1.18660 CCC(COCc1ccccc1SC)OC 34a_100011934954_100000699184 [0,1,0,0,0,1|1,1,0]=4 12623 B16R1.18660 CCC(COCc1ccccc1SC)OC 7a_100011934954_100000699184 [0,1,0,0,0,1|1,1,0]=4 12624 B16R1.18660 CCC(COCc1cccnc1OC)OC 34a_100011934954_100020631285 [0,1,0,0,0,1|2,0,0]=4 12625 B16R1.18660 CCC(COCc1cccnc1OC)OC 7a_100011934954_100020631285 [0,1,0,0,0,1|2,0,0]=4 12626 B16R1.18660 CCC(COCc1ccncc1OC)OC 7a_100011934954_100020635607 [0,1,0,0,0,1|2,0,0]=4 12627 B16R1.18660 CC[C@@H](CO)NCCc1ccccc1OC 2230a_100000709445_100011713687 [0,1,0,0,0,1|2,0,0]=4 12628 B16R1.18660 CC[C@@H](CO)NCCc1ccccc1OC 270004a_100000709445_100011713418 [0,1,0,0,0,1|2,0,0]=4 12629 B16R1.18660 COc1ccccc1CCNC(CO)CO 2230a_100000759517_100011713687 [0,1,0,0,0,1|1,0,0]=3 12630 B16R1.18660 COc1ccccc1COCC(OC)OC 34a_100000211301_100000211822 [0,1,0,0,0,1|2,0,0]=4 12631 B16R1.18660 COc1ccccc1COCC(OC)OC 34a_100011216393_100000210004 [0,1,0,0,0,1|2,0,0]=4 12632 B16R1.18660 COc1ccccc1OCCC(OC)OC 34a_100000210385_100000139399 [0,1,0,0,0,1|2,0,0]=4 12633 B16R1.19772 C=CC(O)COCc1c(cccc1OC)F 34a_100011216733_100000730141 [0,1,0,0,0,1|1,0,1]=4 12634 B16R1.19772 C=CC(O)COCc1c(cccc1OC)F 7a_100011216733_100000730141 [0,1,0,0,0,1|1,0,1]=4 12635 B16R1.19772 CCC(C)COCc1c(cccc1OC)F 34a_100011216733_100000748023 [0,1,0,0,0,1|2,0,0]=4 12636 B16R1.19772 CCC(C)COCc1c(cccc1OC)F 7a_100011216733_100000748023 [0,1,0,0,0,1|2,0,0]=4 12637 B16R1.19772 CCC(O)CNCc1c(cccc1OC)Br 207a_100011218483_100009814803 [0,1,0,0,0,1|2,0,0]=4 12638 B16R1.19772 CCC(O)CNCc1c(cccc1OC)Br 270004a_100011218483_100009814803 [0,1,0,0,0,1|2,0,0]=4 12639 B16R1.19772 CCC(O)CNCc1c(cccc1OC)C 207a_100011218483_100000050978 [0,1,0,0,0,1|2,0,0]=4 12640 B16R1.19772 CCC(O)CNCc1c(cccc1OC)C 270004a_100011218483_100000050978 [0,1,0,0,0,1|2,0,0]=4 12641 B16R1.19772 CCC(O)CNCc1c(cccc1OC)Cl 207a_100011218483_100000757644 [0,1,0,0,0,1|2,0,0]=4 12642 B16R1.19772 CCC(O)CNCc1c(cccc1OC)Cl 2230a_100011218483_100012349678 [0,1,0,0,0,1|2,0,0]=4 12643 B16R1.19772 CCC(O)CNCc1c(cccc1OC)Cl 270004a_100011218483_100000757644 [0,1,0,0,0,1|2,0,0]=4 12644 B16R1.19772 CCC(O)CNCc1c(cccc1OC)F 207a_100011218483_100011216730 [0,1,0,0,0,1|2,0,0]=4 12645 B16R1.19772 CCC(O)CNCc1c(cccc1OC)F 2230a_100011218483_100011216731 [0,1,0,0,0,1|2,0,0]=4 12646 B16R1.19772 CCC(O)CNCc1c(cccc1OC)F 270004a_100011218483_100011216730 [0,1,0,0,0,1|2,0,0]=4 12647 B16R1.19772 CCC(O)CNCc1c(cccc1OC)F 34a_100016992011_100011218378 [0,1,0,0,0,1|2,0,0]=4 12648 B16R1.19772 CCC(O)COCc1c(cccc1OC)F 34a_100011216733_100011218378 [0,1,0,0,0,1|1,0,0]=3 12649 B16R1.19772 CCC(O)COCc1c(cccc1OC)F 7a_100011216733_100011218378 [0,1,0,0,0,1|1,0,0]=3 12650 B16R1.19772 CCC(O)CSCc1c(cccc1OC)Cl 62a_100011218378_100012349678 [0,1,0,0,0,1|1,1,0]=4 12651 B16R1.19772 CCC(O)CSCc1c(cccc1OC)Cl 62a_100012349678_100011218378 [0,1,0,0,0,1|1,1,0]=4 12652 B16R1.19772 CCC(O)CSCc1c(cccc1OC)F 62a_100011216731_100011218378 [0,1,0,0,0,1|1,1,0]=4 12653 B16R1.19772 CCC(O)CSCc1c(cccc1OC)F 62a_100011218378_100011216731 [0,1,0,0,0,1|1,1,0]=4 12654 B16R1.19772 CC[C@H](C)COCc1c(cccc1OC)Cl 7a_100009816381_100012349678 [0,1,0,0,0,1|2,0,0]=4 12655 B16R1.19772 CC[C@H](C)COCc1c(cccc1OC)F 34a_100011216733_100009816398 [0,1,0,0,0,1|2,0,0]=4 12656 B16R1.19772 CC[C@H](C)COCc1c(cccc1OC)F 7a_100009816381_100011216731 [0,1,0,0,0,1|2,0,0]=4 12657 B16R1.19772 CC[C@H](C)COCc1c(cccc1OC)F 7a_100011216733_100009816398 [0,1,0,0,0,1|2,0,0]=4 12658 B16R1.19772 COc1cccc(c1CNCC(C)CO)Br 207a_100000744482_100009814803 [0,1,0,0,0,1|2,0,0]=4 12659 B16R1.19772 COc1cccc(c1CNCC(C)CO)C 207a_100000744482_100000050978 [0,1,0,0,0,1|2,0,0]=4 12660 B16R1.19772 COc1cccc(c1CNCC(C)CO)Cl 207a_100000744482_100000757644 [0,1,0,0,0,1|2,0,0]=4 12661 B16R1.19772 COc1cccc(c1CNCC(C)CO)Cl 34a_100000744482_100012349678 [0,1,0,0,0,1|2,0,0]=4 12662 B16R1.19772 COc1cccc(c1CNCC(C)CO)F 207a_100000744482_100011216730 [0,1,0,0,0,1|2,0,0]=4 12663 B16R1.19772 COc1cccc(c1CNCC(C)CO)F 34a_100000744482_100011216731 [0,1,0,0,0,1|2,0,0]=4 12664 B16R1.19772 COc1cccc(c1CNCC(O)CO)F 34a_100016992011_100011219619 [0,1,0,0,0,1|1,0,0]=3 12665 B16R1.19772 COc1cccc(c1CNC[C@@H](C)CO)F 34a_100016992011_100000059175 [0,1,0,0,0,1|2,0,0]=4 12666 B16R1.19772 COc1cccc(c1CNC[C@@H](F)CO)Br 207a_100015665980_100009814803 [0,1,0,0,0,1|2,0,0]=4 12667 B16R1.19772 COc1cccc(c1CNC[C@@H](F)CO)Br 270004a_100015665980_100009814803 [0,1,0,0,0,1|2,0,0]=4 12668 B16R1.19772 COc1cccc(c1CNC[C@@H](F)CO)C 207a_100015665980_100000050978 [0,1,0,0,0,1|2,0,0]=4 12669 B16R1.19772 COc1cccc(c1CNC[C@@H](F)CO)C 270004a_100015665980_100000050978 [0,1,0,0,0,1|2,0,0]=4 12670 B16R1.19772 COc1cccc(c1CNC[C@@H](F)CO)Cl 207a_100015665980_100000757644 [0,1,0,0,0,1|2,0,0]=4 12671 B16R1.19772 COc1cccc(c1CNC[C@@H](F)CO)Cl 270004a_100015665980_100000757644 [0,1,0,0,0,1|2,0,0]=4 12672 B16R1.19772 COc1cccc(c1CNC[C@@H](F)CO)Cl 34a_100015665980_100012349678 [0,1,0,0,0,1|2,0,0]=4 12673 B16R1.19772 COc1cccc(c1CNC[C@@H](F)CO)F 207a_100015665980_100011216730 [0,1,0,0,0,1|2,0,0]=4 12674 B16R1.19772 COc1cccc(c1CNC[C@@H](F)CO)F 270004a_100015665980_100011216730 [0,1,0,0,0,1|2,0,0]=4 12675 B16R1.19772 COc1cccc(c1CNC[C@@H](F)CO)F 34a_100015665980_100011216731 [0,1,0,0,0,1|2,0,0]=4 12676 B16R1.19772 COc1cccc(c1CNC[C@@H](O)CF)F 34a_100016992011_100015614560 [0,1,0,0,0,1|2,0,0]=4 12677 B16R1.19772 COc1cccc(c1CNC[C@@H](O)CO)F 34a_100016992011_100009815848 [0,1,0,0,0,1|1,0,0]=3 12678 B16R1.19772 COc1cccc(c1CNC[C@H](O)CO)Br 207a_100020644852_100009814803 [0,1,0,0,0,1|1,0,0]=3 12679 B16R1.19772 COc1cccc(c1CNC[C@H](O)CO)C 207a_100020644852_100000050978 [0,1,0,0,0,1|1,0,0]=3 12680 B16R1.19772 COc1cccc(c1CNC[C@H](O)CO)Cl 207a_100020644852_100000757644 [0,1,0,0,0,1|1,0,0]=3 12681 B16R1.19772 COc1cccc(c1CNC[C@H](O)CO)Cl 2230a_100020644852_100012349678 [0,1,0,0,0,1|1,0,0]=3 12682 B16R1.19772 COc1cccc(c1CNC[C@H](O)CO)F 207a_100020644852_100011216730 [0,1,0,0,0,1|1,0,0]=3 12683 B16R1.19772 COc1cccc(c1CNC[C@H](O)CO)F 2230a_100020644852_100011216731 [0,1,0,0,0,1|1,0,0]=3 12684 B16R1.19772 COc1cccc(c1COCC(C)CN)Cl 34a_100000744482_100012349678 [0,1,0,0,0,1|2,0,0]=4 12685 B16R1.19772 COc1cccc(c1COCC(C)CN)F 34a_100000744482_100011216731 [0,1,0,0,0,1|2,0,0]=4 12686 B16R1.19772 COc1cccc(c1COCC(Cl)CCl)Cl 34a_100000033668_100012349678 [0,1,0,0,0,1|2,0,0]=4 12687 B16R1.19772 COc1cccc(c1COCC(Cl)CCl)F 34a_100000033668_100011216731 [0,1,0,0,0,1|2,0,0]=4 12688 B16R1.19772 COc1cccc(c1COCC(O)CO)F 34a_100011216733_100011219619 [0,1,0,0,0,1|0,0,0]=2 12689 B16R1.19772 COc1cccc(c1COCC(O)CO)F 7a_100011216733_100011219619 [0,1,0,0,0,1|0,0,0]=2 12690 B16R1.19772 COc1cccc(c1COC[C@@H](C)CO)F 34a_100011216733_100000059175 [0,1,0,0,0,1|1,0,0]=3 12691 B16R1.19772 COc1cccc(c1COC[C@@H](C)CO)F 7a_100011216733_100000059175 [0,1,0,0,0,1|1,0,0]=3 12692 B16R1.19772 COc1cccc(c1COC[C@@H](O)CF)F 34a_100011216733_100015614560 [0,1,0,0,0,1|1,0,0]=3 12693 B16R1.19772 COc1cccc(c1COC[C@@H](O)CF)F 7a_100011216733_100015614560 [0,1,0,0,0,1|1,0,0]=3 12694 B16R1.19772 COc1cccc(c1COC[C@@H](O)CO)F 34a_100011216733_100009815848 [0,1,0,0,0,1|0,0,0]=2 12695 B16R1.19772 COc1cccc(c1COC[C@@H](O)CO)F 7a_100011216733_100009815848 [0,1,0,0,0,1|0,0,0]=2 12696 B16R1.19772 COc1cccc(c1COC[C@H](F)CN)Cl 34a_100015665980_100012349678 [0,1,0,0,0,1|2,0,0]=4 12697 B16R1.19772 COc1cccc(c1COC[C@H](F)CN)F 34a_100015665980_100011216731 [0,1,0,0,0,1|2,0,0]=4 12698 B16R1.19772 COc1cccc(c1CSCC(O)CO)Cl 62a_100011219619_100012349678 [0,1,0,0,0,1|0,1,0]=3 12699 B16R1.19772 COc1cccc(c1CSCC(O)CO)Cl 62a_100012349678_100011219619 [0,1,0,0,0,1|0,1,0]=3 12700 B16R1.19772 COc1cccc(c1CSCC(O)CO)F 62a_100011216731_100011219619 [0,1,0,0,0,1|0,1,0]=3 12701 B16R1.19772 COc1cccc(c1CSCC(O)CO)F 62a_100011219619_100011216731 [0,1,0,0,0,1|0,1,0]=3 12702 B16R1.19772 COc1cccc(c1CSC[C@@H](C)CO)Cl 62a_100000059175_100012349678 [0,1,0,0,0,1|1,1,0]=4 12703 B16R1.19772 COc1cccc(c1CSC[C@@H](C)CO)Cl 62a_100012349678_100000059175 [0,1,0,0,0,1|1,1,0]=4 12704 B16R1.19772 COc1cccc(c1CSC[C@@H](C)CO)F 62a_100000059175_100011216731 [0,1,0,0,0,1|1,1,0]=4 12705 B16R1.19772 COc1cccc(c1CSC[C@@H](C)CO)F 62a_100011216731_100000059175 [0,1,0,0,0,1|1,1,0]=4 12706 B16R1.19772 COc1cccc(c1CSC[C@@H](O)CF)Cl 62a_100012349678_100015614560 [0,1,0,0,0,1|1,1,0]=4 12707 B16R1.19772 COc1cccc(c1CSC[C@@H](O)CF)Cl 62a_100015614560_100012349678 [0,1,0,0,0,1|1,1,0]=4 12708 B16R1.19772 COc1cccc(c1CSC[C@@H](O)CF)F 62a_100011216731_100015614560 [0,1,0,0,0,1|1,1,0]=4 12709 B16R1.19772 COc1cccc(c1CSC[C@@H](O)CF)F 62a_100015614560_100011216731 [0,1,0,0,0,1|1,1,0]=4 12710 B16R1.19772 COc1cccc(c1CSC[C@@H](O)CO)Cl 62a_100009815848_100012349678 [0,1,0,0,0,1|0,1,0]=3 12711 B16R1.19772 COc1cccc(c1CSC[C@@H](O)CO)Cl 62a_100012349678_100009815848 [0,1,0,0,0,1|0,1,0]=3 12712 B16R1.19772 COc1cccc(c1CSC[C@@H](O)CO)F 62a_100009815848_100011216731 [0,1,0,0,0,1|0,1,0]=3 12713 B16R1.19772 COc1cccc(c1CSC[C@@H](O)CO)F 62a_100011216731_100009815848 [0,1,0,0,0,1|0,1,0]=3 12714 B16R1.19772 COc1nccc(c1CNC[C@H](O)CO)Cl 207a_100020644852_100009849443 [0,1,0,0,0,1|2,0,0]=4 12715 B16R1.19772 COc1nccc(c1CNC[C@H](O)CO)I 207a_100020644852_100010160771 [0,1,0,0,0,1|2,0,0]=4 12716 B16R1.30983 CCC(C)(C)COCc1ccccc1OC 7a_100000765029_100000210004 [0,1,0,0,0,1|2,0,0]=4 12717 B16R1.30983 CCc1ccccc1COCC(C)(C)CO 34a_100011663872_100009813988 [0,1,0,0,0,1|2,0,0]=4 12718 B16R1.30983 CCc1ccccc1COCC(C)(C)CO 7a_100011663872_100009813988 [0,1,0,0,0,1|2,0,0]=4 12719 B16R1.30983 COc1ccccc1CCNC(C)(C)CO 2230a_100000210608_100011713687 [0,1,0,0,0,1|2,0,0]=4 12720 B16R1.30983 COc1ccccc1CCNC(C)(C)CO 270004a_100000210608_100011713418 [0,1,0,0,0,1|2,0,0]=4 12721 B16R1.30983 COc1ccccc1CCSC(F)(F)CO 62a_100011217949_100011713687 [0,1,0,0,0,1|2,0,0]=4 12722 B16R1.30983 COc1ccccc1CCSC(F)(F)CO 62a_100011713687_100011217949 [0,1,0,0,0,1|2,0,0]=4 12723 B16R1.30983 COc1ccccc1CNCC(C)(C)CO 207a_100020635058_100000169842 [0,1,0,0,0,1|2,0,0]=4 12724 B16R1.30983 COc1ccccc1CNCC(C)(C)CO 2230a_100020635058_100000210004 [0,1,0,0,0,1|2,0,0]=4 12725 B16R1.30983 COc1ccccc1CNCC(C)(C)CO 270004a_100020635058_100000169842 [0,1,0,0,0,1|2,0,0]=4 12726 B16R1.30983 COc1ccccc1CNCC(C)(C)CO 34a_100000188900_100009813988 [0,1,0,0,0,1|2,0,0]=4 12727 B16R1.30983 COc1ccccc1CNCC(F)(F)CO 207a_100000703232_100000169842 [0,1,0,0,0,1|2,0,0]=4 12728 B16R1.30983 COc1ccccc1COCC(C)(C)CCl 7a_100011217199_100000210004 [0,1,0,0,0,1|2,0,0]=4 12729 B16R1.30983 COc1ccccc1COCC(C)(C)CO 34a_100000211301_100009813988 [0,1,0,0,0,1|1,0,0]=3 12730 B16R1.30983 COc1ccccc1COCC(F)(F)CN 34a_100000703232_100000210004 [0,1,0,0,0,1|2,0,0]=4 12731 B16R1.30983 COc1ccccc1CSCC(C)(C)CO 62a_100000210004_100009813988 [0,1,0,0,0,1|1,1,0]=4 12732 B16R1.30983 COc1ccccc1CSCC(C)(C)CO 62a_100009813988_100000210004 [0,1,0,0,0,1|1,1,0]=4 12733 B16R1.30983 COc1cccnc1COCC(C)(C)CO 34a_100011998681_100009813988 [0,1,0,0,0,1|2,0,0]=4 12734 B16R1.30983 COc1ncccc1COCC(C)(C)CO 34a_100000717863_100009813988 [0,1,0,0,0,1|2,0,0]=4 12735 B16R1.30983 CSc1ccccc1COCC(C)(C)CO 34a_100000699167_100009813988 [0,1,0,0,0,1|1,1,0]=4 12736 B16R1.5585 COc1ccccc1OCC(F)(F)C(F)F 34a_100000210385_100000729011 [0,2,0,0,0,0|2,0,0]=4 12737 B16R1.18661 COc1ccccc1CNC(CO)C(=O)O 269956a_100000187304_100000210004 [0,2,0,0,0,0|2,0,0]=4 12738 B16R1.18661 COc1ccccc1CN[C@H](CO)[C@@H](C)O 207a_100015196842_100000169842 [0,2,0,0,0,0|2,0,0]=4 12739 B16R1.18661 COc1ccccc1CN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210004 [0,2,0,0,0,0|2,0,0]=4 12740 B16R1.18661 COc1ccccc1CN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210004 [0,2,0,0,0,0|2,0,0]=4 12741 B16R1.18662 CCc1ccccc1OCC(O)C(F)(F)F 34a_100000210936_100000185343 [0,2,0,0,0,0|2,0,0]=4 12742 B16R1.18662 CCc1ccccc1OCC(O)C(F)(F)F 7a_100000210936_100000185343 [0,2,0,0,0,0|2,0,0]=4 12743 B16R1.18662 CNc1ccccc1OCC(O)C(F)(F)F 34a_100000033821_100000185343 [0,2,0,0,0,0|2,0,0]=4 12744 B16R1.18662 COc1ccccc1NCC(O)C(F)(F)F 34a_100000210025_100000185343 [0,2,0,0,0,0|2,0,0]=4 12745 B16R1.18662 COc1ccccc1OCC(O)C(F)(F)F 34a_100000210385_100000185343 [0,2,0,0,0,0|1,0,0]=3 12746 B16R1.18662 COc1ccccc1SCC(O)C(F)(F)F 62a_100000185343_100000210334 [0,2,0,0,0,0|1,1,0]=4 12747 B16R1.18662 COc1ccccc1SCC(O)C(F)(F)F 62a_100000210334_100000185343 [0,2,0,0,0,0|1,1,0]=4 12748 B16R1.18662 COc1cccnc1OCC(O)C(F)(F)F 34a_100025773188_100000185343 [0,2,0,0,0,0|2,0,0]=4 12749 B16R1.18662 COc1ccncc1OCC(O)C(F)(F)F 34a_100000101186_100000185343 [0,2,0,0,0,0|2,0,0]=4 12750 B16R1.18662 COc1ncccc1OCC(O)C(F)(F)F 34a_100000698397_100000185343 [0,2,0,0,0,0|2,0,0]=4 12751 B16R1.18662 COc1ncccc1OCC(O)C(F)(F)F 7a_100000698397_100000185343 [0,2,0,0,0,0|2,0,0]=4 12752 B16R1.18662 CSc1ccccc1OCC(O)C(F)(F)F 34a_100011216402_100000185343 [0,2,0,0,0,0|1,1,0]=4 12753 B16R1.295 CCOc1ccccc1NC(=O)C(O)CO 22a_100000211218_100011215603 [0,2,0,0,0,0|1,0,1]=4 12754 B16R1.694 C/C=C/c1ccccc1OCC(O)COC 34a_200000189419_100011215053 [0,2,0,0,0,0|1,0,0]=3 12755 B16R1.694 C/C=C/c1ccccc1OCC(O)COC 7a_200000189419_100011215053 [0,2,0,0,0,0|1,0,0]=3 12756 B16R1.694 C/C=C/c1ccccc1OC[C@@H](O)CC#N 7a_200000189419_100000001066 [0,2,0,0,0,0|2,0,0]=4 12757 B16R1.694 C=CCc1ccccc1OCC(O)COC 34a_100000211836_100011215053 [0,2,0,0,0,0|1,0,1]=4 12758 B16R1.694 C=CCc1ccccc1OCC(O)COC 7a_100000211836_100011215053 [0,2,0,0,0,0|1,0,1]=4 12759 B16R1.694 CCCC(C)COc1ccccc1COC 34a_100011488565_100011216630 [0,2,0,0,0,0|2,0,0]=4 12760 B16R1.694 CCCC(C)COc1ccccc1COC 7a_100011488565_100011216630 [0,2,0,0,0,0|2,0,0]=4 12761 B16R1.694 CCCC(C)COc1ccccc1OCC 34a_100000211404_100011216630 [0,2,0,0,0,0|2,0,0]=4 12762 B16R1.694 CCCC(C)COc1ccccc1OCC 7a_100000211404_100011216630 [0,2,0,0,0,0|2,0,0]=4 12763 B16R1.694 CCCc1ccccc1NCC(O)COC 34a_100000737634_100011215053 [0,2,0,0,0,0|2,0,0]=4 12764 B16R1.694 CCCc1ccccc1NCC(O)COC 7a_100000737634_100011215053 [0,2,0,0,0,0|2,0,0]=4 12765 B16R1.694 CCCc1ccccc1OCC(O)COC 34a_100011217252_100011215053 [0,2,0,0,0,0|1,0,0]=3 12766 B16R1.694 CCCc1ccccc1OCC(O)COC 7a_100011217252_100011215053 [0,2,0,0,0,0|1,0,0]=3 12767 B16R1.694 CCCc1ccccc1OC[C@@H](O)CC#N 7a_100011217252_100000001066 [0,2,0,0,0,0|2,0,0]=4 12768 B16R1.694 CCNc1ccccc1OCC(O)COC 34a_103624766699_100011215053 [0,2,0,0,0,0|1,0,0]=3 12769 B16R1.694 CCNc1ccccc1OCC(O)COC 7a_103624766699_100011215053 [0,2,0,0,0,0|1,0,0]=3 12770 B16R1.694 CCNc1ccccc1OC[C@@H](O)CC#N 7a_103624766699_100000001066 [0,2,0,0,0,0|2,0,0]=4 12771 B16R1.694 CCNc1ccccc1SCC(O)COC 62a_100011215053_114873767003 [0,2,0,0,0,0|1,1,0]=4 12772 B16R1.694 CCNc1ccccc1SCC(O)COC 62a_114873767003_100011215053 [0,2,0,0,0,0|1,1,0]=4 12773 B16R1.694 CCOc1ccccc1NCC(O)COC 34a_100000211218_100011215053 [0,2,0,0,0,0|1,0,0]=3 12774 B16R1.694 CCOc1ccccc1OCC(=O)CCO 1458a_100000182497_100000211926 [0,2,0,0,0,0|0,0,2]=4 12775 B16R1.694 CCOc1ccccc1OCC(=O)NCO 34a_100000211404_100000185155 [0,2,0,0,0,0|0,0,2]=4 12776 B16R1.694 CCOc1ccccc1OCC(=O)NCO 7a_100000211404_100000185155 [0,2,0,0,0,0|0,0,2]=4 12777 B16R1.694 CCOc1ccccc1OCC(O)COC 34a_100000211404_100011215053 [0,2,0,0,0,0|0,0,0]=2 12778 B16R1.694 CCOc1ccccc1OCC(O)COC 7a_100000211404_100011215053 [0,2,0,0,0,0|0,0,0]=2 12779 B16R1.694 CCOc1ccccc1OC[C@@H](O)CC#N 7a_100000211404_100000001066 [0,2,0,0,0,0|1,0,0]=3 12780 B16R1.694 CCOc1ccccc1SCC(O)COC 62a_100000230754_100011215053 [0,2,0,0,0,0|0,1,0]=3 12781 B16R1.694 CCOc1ccccc1SCC(O)COC 62a_100011215053_100000230754 [0,2,0,0,0,0|0,1,0]=3 12782 B16R1.694 CCOc1ccccc1SC[C@@H](O)CC#N 62a_100000001066_100000230754 [0,2,0,0,0,0|1,1,0]=4 12783 B16R1.694 CCOc1ccccc1SC[C@@H](O)CC#N 62a_100000230754_100000001066 [0,2,0,0,0,0|1,1,0]=4 12784 B16R1.694 CCOc1cccnc1SCC(O)COC 62a_100011215053_100011597540 [0,2,0,0,0,0|1,1,0]=4 12785 B16R1.694 CCOc1cccnc1SCC(O)COC 62a_100011597540_100011215053 [0,2,0,0,0,0|1,1,0]=4 12786 B16R1.694 CCOc1ncccc1OCC(O)COC 34a_100011998697_100011215053 [0,2,0,0,0,0|1,0,0]=3 12787 B16R1.694 CCOc1ncccc1SCC(O)COC 62a_100011215053_100011465154 [0,2,0,0,0,0|1,1,0]=4 12788 B16R1.694 CCOc1ncccc1SCC(O)COC 62a_100011465154_100011215053 [0,2,0,0,0,0|1,1,0]=4 12789 B16R1.694 CCSc1ccccc1NCC(O)COC 34a_100011223125_100011215053 [0,2,0,0,0,0|1,1,0]=4 12790 B16R1.694 CCSc1ccccc1SCC(O)COC 62a_100000230856_100011215053 [0,2,0,0,0,0|0,2,0]=4 12791 B16R1.694 CCSc1ccccc1SCC(O)COC 62a_100011215053_100000230856 [0,2,0,0,0,0|0,2,0]=4 12792 B16R1.694 CNCc1ccccc1OCC(O)COC 34a_100015189988_100011215053 [0,2,0,0,0,0|1,0,0]=3 12793 B16R1.694 CNCc1ccccc1SCC(O)COC 62a_100000184654_100011215053 [0,2,0,0,0,0|1,1,0]=4 12794 B16R1.694 CNCc1ccccc1SCC(O)COC 62a_100011215053_100000184654 [0,2,0,0,0,0|1,1,0]=4 12795 B16R1.694 COCC(O)CNc1ccccc1CCO 34a_100011215289_100011215053 [0,2,0,0,0,0|2,0,0]=4 12796 B16R1.694 COCC(O)COc1ccccc1CC#N 34a_100000043107_100011215053 [0,2,0,0,0,0|1,0,1]=4 12797 B16R1.694 COCC(O)COc1ccccc1CC#N 7a_100000043107_100011215053 [0,2,0,0,0,0|1,0,1]=4 12798 B16R1.694 COCC(O)COc1ccccc1CCBr 34a_100000722297_100011215053 [0,2,0,0,0,0|1,0,0]=3 12799 B16R1.694 COCC(O)COc1ccccc1CCBr 7a_100000722297_100011215053 [0,2,0,0,0,0|1,0,0]=3 12800 B16R1.694 COCC(O)COc1ccccc1CCN 34a_100011207237_100011215053 [0,2,0,0,0,0|1,0,0]=3 12801 B16R1.694 COCC(O)COc1ccccc1CCO 34a_100000719421_100011215053 [0,2,0,0,0,0|1,0,0]=3 12802 B16R1.694 COCC(O)COc1ccccc1CCO 7a_100000719421_100011215053 [0,2,0,0,0,0|1,0,0]=3 12803 B16R1.694 COCC(O)CSc1ccccc1CCN 62a_100000747383_100011215053 [0,2,0,0,0,0|1,1,0]=4 12804 B16R1.694 COCC(O)CSc1ccccc1CCN 62a_100011215053_100000747383 [0,2,0,0,0,0|1,1,0]=4 12805 B16R1.694 COCC(O)CSc1ccccc1CCO 62a_100000731337_100011215053 [0,2,0,0,0,0|1,1,0]=4 12806 B16R1.694 COCC(O)CSc1ccccc1CCO 62a_100011215053_100000731337 [0,2,0,0,0,0|1,1,0]=4 12807 B16R1.694 COCC(O)CSc1ccccc1CSC 62a_100000148299_100011215053 [0,2,0,0,0,0|0,2,0]=4 12808 B16R1.694 COCC(O)CSc1ccccc1CSC 62a_100011215053_100000148299 [0,2,0,0,0,0|0,2,0]=4 12809 B16R1.694 COCc1ccccc1OCC(=O)NCO 34a_100011488565_100000185155 [0,2,0,0,0,0|0,0,2]=4 12810 B16R1.694 COCc1ccccc1OCC(=O)NCO 7a_100011488565_100000185155 [0,2,0,0,0,0|0,0,2]=4 12811 B16R1.694 COCc1ccccc1OCC(O)COC 34a_100011488565_100011215053 [0,2,0,0,0,0|0,0,0]=2 12812 B16R1.694 COCc1ccccc1OCC(O)COC 7a_100011488565_100011215053 [0,2,0,0,0,0|0,0,0]=2 12813 B16R1.694 COCc1ccccc1OC[C@@H](O)CC#N 7a_100011488565_100000001066 [0,2,0,0,0,0|1,0,0]=3 12814 B16R1.694 COCc1ccccc1SCC(O)COC 62a_100011215053_100011493684 [0,2,0,0,0,0|0,1,0]=3 12815 B16R1.694 COCc1ccccc1SCC(O)COC 62a_100011493684_100011215053 [0,2,0,0,0,0|0,1,0]=3 12816 B16R1.694 COCc1ccccc1SC[C@@H](O)CC#N 62a_100000001066_100011493684 [0,2,0,0,0,0|1,1,0]=4 12817 B16R1.694 COCc1ccccc1SC[C@@H](O)CC#N 62a_100011493684_100000001066 [0,2,0,0,0,0|1,1,0]=4 12818 B16R1.694 N#CC[C@H](O)COc1ccccc1CCBr 7a_100000722297_100000001066 [0,2,0,0,0,0|2,0,0]=4 12819 B16R1.694 N#CC[C@H](O)COc1ccccc1CCO 7a_100000719421_100000001066 [0,2,0,0,0,0|2,0,0]=4 12820 B16R1.994 C#CCOc1ccccc1NCC(O)CC 34a_100000707309_100011218378 [0,2,0,0,0,0|2,0,0]=4 12821 B16R1.994 C#CCOc1ccccc1NCC(O)CO 34a_100000707309_100011219619 [0,2,0,0,0,0|1,0,0]=3 12822 B16R1.994 C#CCOc1ccccc1NC[C@@H](C)CO 34a_100000707309_100000059175 [0,2,0,0,0,0|2,0,0]=4 12823 B16R1.994 C#CCOc1ccccc1NC[C@@H](O)CF 34a_100000707309_100015614560 [0,2,0,0,0,0|2,0,0]=4 12824 B16R1.994 C#CCOc1ccccc1NC[C@@H](O)CO 34a_100000707309_100009815848 [0,2,0,0,0,0|1,0,0]=3 12825 B16R1.994 C=CC(O)COc1ccccc1CCOC 34a_100000722730_100000730141 [0,2,0,0,0,0|1,0,1]=4 12826 B16R1.994 C=CC(O)COc1ccccc1CCOC 7a_100000722730_100000730141 [0,2,0,0,0,0|1,0,1]=4 12827 B16R1.994 C=CC(O)COc1ccccc1OCCC 34a_100000180214_100000730141 [0,2,0,0,0,0|1,0,1]=4 12828 B16R1.994 C=CC(O)COc1ccccc1OCCC 7a_100000180214_100000730141 [0,2,0,0,0,0|1,0,1]=4 12829 B16R1.994 C=CC(O)COc1ccccc1OCCO 34a_100000181789_100000730141 [0,2,0,0,0,0|1,0,1]=4 12830 B16R1.994 C=CC(O)COc1ccccc1OCCO 7a_100000181789_100000730141 [0,2,0,0,0,0|1,0,1]=4 12831 B16R1.994 C=CCOc1ccccc1OCC(C)CC 34a_200011262142_100000748023 [0,2,0,0,0,0|2,0,0]=4 12832 B16R1.994 C=CCOc1ccccc1OCC(C)CC 7a_200011262142_100000748023 [0,2,0,0,0,0|2,0,0]=4 12833 B16R1.994 C=CCOc1ccccc1OCC(O)C=C 34a_200011262142_100000730141 [0,2,0,0,0,0|1,0,1]=4 12834 B16R1.994 C=CCOc1ccccc1OCC(O)C=C 7a_200011262142_100000730141 [0,2,0,0,0,0|1,0,1]=4 12835 B16R1.994 C=CCOc1ccccc1OCC(O)CC 34a_200011262142_100011218378 [0,2,0,0,0,0|1,0,0]=3 12836 B16R1.994 C=CCOc1ccccc1OCC(O)CC 7a_200011262142_100011218378 [0,2,0,0,0,0|1,0,0]=3 12837 B16R1.994 C=CCOc1ccccc1OCC(O)CO 34a_200011262142_100011219619 [0,2,0,0,0,0|0,0,0]=2 12838 B16R1.994 C=CCOc1ccccc1OCC(O)CO 7a_200011262142_100011219619 [0,2,0,0,0,0|0,0,0]=2 12839 B16R1.994 C=CCOc1ccccc1OC[C@@H](C)CC 34a_200011262142_100009816398 [0,2,0,0,0,0|2,0,0]=4 12840 B16R1.994 C=CCOc1ccccc1OC[C@@H](C)CC 7a_200011262142_100009816398 [0,2,0,0,0,0|2,0,0]=4 12841 B16R1.994 C=CCOc1ccccc1OC[C@@H](C)CO 34a_200011262142_100000059175 [0,2,0,0,0,0|1,0,0]=3 12842 B16R1.994 C=CCOc1ccccc1OC[C@@H](C)CO 7a_200011262142_100000059175 [0,2,0,0,0,0|1,0,0]=3 12843 B16R1.994 C=CCOc1ccccc1OC[C@@H](O)CF 34a_200011262142_100015614560 [0,2,0,0,0,0|1,0,0]=3 12844 B16R1.994 C=CCOc1ccccc1OC[C@@H](O)CF 7a_200011262142_100015614560 [0,2,0,0,0,0|1,0,0]=3 12845 B16R1.994 C=CCOc1ccccc1OC[C@@H](O)CO 34a_200011262142_100009815848 [0,2,0,0,0,0|0,0,0]=2 12846 B16R1.994 C=CCOc1ccccc1OC[C@@H](O)CO 7a_200011262142_100009815848 [0,2,0,0,0,0|0,0,0]=2 12847 B16R1.994 C=CCSc1ccccc1NCC(O)CO 2230a_100000198565_100011219619 [0,2,0,0,0,0|1,1,0]=4 12848 B16R1.994 C=CCSc1ccccc1NCC(O)CO 7a_100000198565_100011219619 [0,2,0,0,0,0|1,1,0]=4 12849 B16R1.994 C=CCSc1ccccc1NC[C@@H](O)CO 2230a_100000198565_100009815848 [0,2,0,0,0,0|1,1,0]=4 12850 B16R1.994 C=CCSc1ccccc1NC[C@@H](O)CO 7a_100000198565_100009815848 [0,2,0,0,0,0|1,1,0]=4 12851 B16R1.994 CCC(C)COc1ccccc1CCOC 34a_100000722730_100000748023 [0,2,0,0,0,0|2,0,0]=4 12852 B16R1.994 CCC(C)COc1ccccc1CCOC 7a_100000722730_100000748023 [0,2,0,0,0,0|2,0,0]=4 12853 B16R1.994 CCC(C)COc1ccccc1OCCO 34a_100000181789_100000748023 [0,2,0,0,0,0|2,0,0]=4 12854 B16R1.994 CCC(C)COc1ccccc1OCCO 7a_100000181789_100000748023 [0,2,0,0,0,0|2,0,0]=4 12855 B16R1.994 CCC(O)CNc1ccccc1OCCF 34a_100012000959_100011218378 [0,2,0,0,0,0|2,0,0]=4 12856 B16R1.994 CCC(O)CNc1ccccc1OCCO 34a_100132302172_100011218378 [0,2,0,0,0,0|2,0,0]=4 12857 B16R1.994 CCC(O)COc1ccccc1CCOC 34a_100000722730_100011218378 [0,2,0,0,0,0|1,0,0]=3 12858 B16R1.994 CCC(O)COc1ccccc1CCOC 7a_100000722730_100011218378 [0,2,0,0,0,0|1,0,0]=3 12859 B16R1.994 CCC(O)COc1ccccc1OCCO 34a_100000181789_100011218378 [0,2,0,0,0,0|1,0,0]=3 12860 B16R1.994 CCC(O)COc1ccccc1OCCO 7a_100000181789_100011218378 [0,2,0,0,0,0|1,0,0]=3 12861 B16R1.994 CCC(O)CSc1ccccc1OCC#N 62a_100011218378_200000173881 [0,2,0,0,0,0|1,1,0]=4 12862 B16R1.994 CCC(O)CSc1ccccc1OCC#N 62a_200000173881_100011218378 [0,2,0,0,0,0|1,1,0]=4 12863 B16R1.994 CCC(O)CSc1ccccc1OCCN 62a_100000744007_100011218378 [0,2,0,0,0,0|1,1,0]=4 12864 B16R1.994 CCC(O)CSc1ccccc1OCCN 62a_100011218378_100000744007 [0,2,0,0,0,0|1,1,0]=4 12865 B16R1.994 CCC(O)CSc1ccccc1OCCO 62a_100000230753_100011218378 [0,2,0,0,0,0|1,1,0]=4 12866 B16R1.994 CCC(O)CSc1ccccc1OCCO 62a_100011218378_100000230753 [0,2,0,0,0,0|1,1,0]=4 12867 B16R1.994 CCC(O)CSc1ccccc1OCOC 62a_100011218378_200000230759 [0,2,0,0,0,0|1,1,0]=4 12868 B16R1.994 CCC(O)CSc1ccccc1OCOC 62a_200000230759_100011218378 [0,2,0,0,0,0|1,1,0]=4 12869 B16R1.994 CCCCc1ccccc1NCC(O)CO 2230a_200011217597_100011219619 [0,2,0,0,0,0|2,0,0]=4 12870 B16R1.994 CCCCc1ccccc1NCC(O)CO 34a_200011217597_100011219619 [0,2,0,0,0,0|2,0,0]=4 12871 B16R1.994 CCCCc1ccccc1NCC(O)CO 7a_200011217597_100011219619 [0,2,0,0,0,0|2,0,0]=4 12872 B16R1.994 CCCCc1ccccc1NC[C@@H](O)CO 2230a_200011217597_100009815848 [0,2,0,0,0,0|2,0,0]=4 12873 B16R1.994 CCCCc1ccccc1NC[C@@H](O)CO 34a_200011217597_100009815848 [0,2,0,0,0,0|2,0,0]=4 12874 B16R1.994 CCCCc1ccccc1NC[C@@H](O)CO 7a_200011217597_100009815848 [0,2,0,0,0,0|2,0,0]=4 12875 B16R1.994 CCCOc1ccccc1NCC(C)CO 27a_100000744482_100000174042 [0,2,0,0,0,0|2,0,0]=4 12876 B16R1.994 CCCOc1ccccc1NCC(O)CC 27a_100011218483_100000174042 [0,2,0,0,0,0|2,0,0]=4 12877 B16R1.994 CCCOc1ccccc1NCC(O)CC 34a_100000683936_100011218378 [0,2,0,0,0,0|2,0,0]=4 12878 B16R1.994 CCCOc1ccccc1NCC(O)CO 34a_100000683936_100011219619 [0,2,0,0,0,0|1,0,0]=3 12879 B16R1.994 CCCOc1ccccc1NC[C@@H](C)CO 34a_100000683936_100000059175 [0,2,0,0,0,0|2,0,0]=4 12880 B16R1.994 CCCOc1ccccc1NC[C@@H](F)CO 27a_100015665980_100000174042 [0,2,0,0,0,0|2,0,0]=4 12881 B16R1.994 CCCOc1ccccc1NC[C@@H](O)CF 34a_100000683936_100015614560 [0,2,0,0,0,0|2,0,0]=4 12882 B16R1.994 CCCOc1ccccc1NC[C@@H](O)CO 34a_100000683936_100009815848 [0,2,0,0,0,0|1,0,0]=3 12883 B16R1.994 CCCOc1ccccc1NC[C@H](O)CO 27a_100020644852_100000174042 [0,2,0,0,0,0|1,0,0]=3 12884 B16R1.994 CCCOc1ccccc1OCC(C)CC 34a_100000180214_100000748023 [0,2,0,0,0,0|2,0,0]=4 12885 B16R1.994 CCCOc1ccccc1OCC(C)CC 7a_100000180214_100000748023 [0,2,0,0,0,0|2,0,0]=4 12886 B16R1.994 CCCOc1ccccc1OCC(O)CC 34a_100000180214_100011218378 [0,2,0,0,0,0|1,0,0]=3 12887 B16R1.994 CCCOc1ccccc1OCC(O)CC 7a_100000180214_100011218378 [0,2,0,0,0,0|1,0,0]=3 12888 B16R1.994 CCCOc1ccccc1OCC(O)CO 34a_100000180214_100011219619 [0,2,0,0,0,0|0,0,0]=2 12889 B16R1.994 CCCOc1ccccc1OCC(O)CO 7a_100000180214_100011219619 [0,2,0,0,0,0|0,0,0]=2 12890 B16R1.994 CCCOc1ccccc1OC[C@@H](C)CC 34a_100000180214_100009816398 [0,2,0,0,0,0|2,0,0]=4 12891 B16R1.994 CCCOc1ccccc1OC[C@@H](C)CC 7a_100000180214_100009816398 [0,2,0,0,0,0|2,0,0]=4 12892 B16R1.994 CCCOc1ccccc1OC[C@@H](C)CO 34a_100000180214_100000059175 [0,2,0,0,0,0|1,0,0]=3 12893 B16R1.994 CCCOc1ccccc1OC[C@@H](C)CO 7a_100000180214_100000059175 [0,2,0,0,0,0|1,0,0]=3 12894 B16R1.994 CCCOc1ccccc1OC[C@@H](O)CF 34a_100000180214_100015614560 [0,2,0,0,0,0|1,0,0]=3 12895 B16R1.994 CCCOc1ccccc1OC[C@@H](O)CF 7a_100000180214_100015614560 [0,2,0,0,0,0|1,0,0]=3 12896 B16R1.994 CCCOc1ccccc1OC[C@@H](O)CO 34a_100000180214_100009815848 [0,2,0,0,0,0|0,0,0]=2 12897 B16R1.994 CCCOc1ccccc1OC[C@@H](O)CO 7a_100000180214_100009815848 [0,2,0,0,0,0|0,0,0]=2 12898 B16R1.994 CCCOc1ccccc1SCC(O)CC 62a_100000174042_100011218378 [0,2,0,0,0,0|1,1,0]=4 12899 B16R1.994 CCCOc1ccccc1SCC(O)CC 62a_100011218378_100000174042 [0,2,0,0,0,0|1,1,0]=4 12900 B16R1.994 CCCOc1ccccc1SCC(O)CO 62a_100000174042_100011219619 [0,2,0,0,0,0|0,1,0]=3 12901 B16R1.994 CCCOc1ccccc1SCC(O)CO 62a_100011219619_100000174042 [0,2,0,0,0,0|0,1,0]=3 12902 B16R1.994 CCCOc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000174042 [0,2,0,0,0,0|1,1,0]=4 12903 B16R1.994 CCCOc1ccccc1SC[C@@H](C)CO 62a_100000174042_100000059175 [0,2,0,0,0,0|1,1,0]=4 12904 B16R1.994 CCCOc1ccccc1SC[C@@H](O)CF 62a_100000174042_100015614560 [0,2,0,0,0,0|1,1,0]=4 12905 B16R1.994 CCCOc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000174042 [0,2,0,0,0,0|1,1,0]=4 12906 B16R1.994 CCCOc1ccccc1SC[C@@H](O)CO 62a_100000174042_100009815848 [0,2,0,0,0,0|0,1,0]=3 12907 B16R1.994 CCCOc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000174042 [0,2,0,0,0,0|0,1,0]=3 12908 B16R1.994 CCCOc1ncccc1SCC(O)CO 62a_100011219619_200011465209 [0,2,0,0,0,0|1,1,0]=4 12909 B16R1.994 CCCOc1ncccc1SCC(O)CO 62a_200011465209_100011219619 [0,2,0,0,0,0|1,1,0]=4 12910 B16R1.994 CCCOc1ncccc1SC[C@@H](O)CO 62a_100009815848_200011465209 [0,2,0,0,0,0|1,1,0]=4 12911 B16R1.994 CCCOc1ncccc1SC[C@@H](O)CO 62a_200011465209_100009815848 [0,2,0,0,0,0|1,1,0]=4 12912 B16R1.994 CCCSc1ccccc1NCC(O)CO 34a_100015184514_100011219619 [0,2,0,0,0,0|1,1,0]=4 12913 B16R1.994 CCCSc1ccccc1NCC(O)CO 7a_100015184514_100011219619 [0,2,0,0,0,0|1,1,0]=4 12914 B16R1.994 CCCSc1ccccc1NC[C@@H](O)CO 34a_100015184514_100009815848 [0,2,0,0,0,0|1,1,0]=4 12915 B16R1.994 CCCSc1ccccc1NC[C@@H](O)CO 7a_100015184514_100009815848 [0,2,0,0,0,0|1,1,0]=4 12916 B16R1.994 CCOCc1ccccc1SCC(O)CC 62a_100011218378_200011493690 [0,2,0,0,0,0|1,1,0]=4 12917 B16R1.994 CCOCc1ccccc1SCC(O)CC 62a_200011493690_100011218378 [0,2,0,0,0,0|1,1,0]=4 12918 B16R1.994 CCOCc1ccccc1SCC(O)CO 62a_100011219619_200011493690 [0,2,0,0,0,0|0,1,0]=3 12919 B16R1.994 CCOCc1ccccc1SCC(O)CO 62a_200011493690_100011219619 [0,2,0,0,0,0|0,1,0]=3 12920 B16R1.994 CCOCc1ccccc1SC[C@@H](C)CO 62a_100000059175_200011493690 [0,2,0,0,0,0|1,1,0]=4 12921 B16R1.994 CCOCc1ccccc1SC[C@@H](C)CO 62a_200011493690_100000059175 [0,2,0,0,0,0|1,1,0]=4 12922 B16R1.994 CCOCc1ccccc1SC[C@@H](O)CF 62a_100015614560_200011493690 [0,2,0,0,0,0|1,1,0]=4 12923 B16R1.994 CCOCc1ccccc1SC[C@@H](O)CF 62a_200011493690_100015614560 [0,2,0,0,0,0|1,1,0]=4 12924 B16R1.994 CCOCc1ccccc1SC[C@@H](O)CO 62a_100009815848_200011493690 [0,2,0,0,0,0|0,1,0]=3 12925 B16R1.994 CCOCc1ccccc1SC[C@@H](O)CO 62a_200011493690_100009815848 [0,2,0,0,0,0|0,1,0]=3 12926 B16R1.994 CCSCc1ccccc1SCC(O)CO 62a_100011219619_200000173030 [0,2,0,0,0,0|0,2,0]=4 12927 B16R1.994 CCSCc1ccccc1SCC(O)CO 62a_200000173030_100011219619 [0,2,0,0,0,0|0,2,0]=4 12928 B16R1.994 CCSCc1ccccc1SC[C@@H](O)CO 62a_100009815848_200000173030 [0,2,0,0,0,0|0,2,0]=4 12929 B16R1.994 CCSCc1ccccc1SC[C@@H](O)CO 62a_200000173030_100009815848 [0,2,0,0,0,0|0,2,0]=4 12930 B16R1.994 CC[C@H](C)COc1ccccc1CCOC 34a_100000722730_100009816398 [0,2,0,0,0,0|2,0,0]=4 12931 B16R1.994 CC[C@H](C)COc1ccccc1CCOC 7a_100000722730_100009816398 [0,2,0,0,0,0|2,0,0]=4 12932 B16R1.994 CC[C@H](C)COc1ccccc1OCCO 34a_100000181789_100009816398 [0,2,0,0,0,0|2,0,0]=4 12933 B16R1.994 CC[C@H](C)COc1ccccc1OCCO 7a_100000181789_100009816398 [0,2,0,0,0,0|2,0,0]=4 12934 B16R1.994 COCCc1ccccc1OCC(O)CO 34a_100000722730_100011219619 [0,2,0,0,0,0|0,0,0]=2 12935 B16R1.994 COCCc1ccccc1OCC(O)CO 7a_100000722730_100011219619 [0,2,0,0,0,0|0,0,0]=2 12936 B16R1.994 COCCc1ccccc1OC[C@@H](C)CO 34a_100000722730_100000059175 [0,2,0,0,0,0|1,0,0]=3 12937 B16R1.994 COCCc1ccccc1OC[C@@H](C)CO 7a_100000722730_100000059175 [0,2,0,0,0,0|1,0,0]=3 12938 B16R1.994 COCCc1ccccc1OC[C@@H](O)CF 34a_100000722730_100015614560 [0,2,0,0,0,0|1,0,0]=3 12939 B16R1.994 COCCc1ccccc1OC[C@@H](O)CF 7a_100000722730_100015614560 [0,2,0,0,0,0|1,0,0]=3 12940 B16R1.994 COCCc1ccccc1OC[C@@H](O)CO 34a_100000722730_100009815848 [0,2,0,0,0,0|0,0,0]=2 12941 B16R1.994 COCCc1ccccc1OC[C@@H](O)CO 7a_100000722730_100009815848 [0,2,0,0,0,0|0,0,0]=2 12942 B16R1.994 COCOc1ccccc1SCC(O)CO 62a_100011219619_200000230759 [0,2,0,0,0,0|0,1,0]=3 12943 B16R1.994 COCOc1ccccc1SCC(O)CO 62a_200000230759_100011219619 [0,2,0,0,0,0|0,1,0]=3 12944 B16R1.994 COCOc1ccccc1SC[C@@H](C)CO 62a_100000059175_200000230759 [0,2,0,0,0,0|1,1,0]=4 12945 B16R1.994 COCOc1ccccc1SC[C@@H](C)CO 62a_200000230759_100000059175 [0,2,0,0,0,0|1,1,0]=4 12946 B16R1.994 COCOc1ccccc1SC[C@@H](O)CF 62a_100015614560_200000230759 [0,2,0,0,0,0|1,1,0]=4 12947 B16R1.994 COCOc1ccccc1SC[C@@H](O)CF 62a_200000230759_100015614560 [0,2,0,0,0,0|1,1,0]=4 12948 B16R1.994 COCOc1ccccc1SC[C@@H](O)CO 62a_100009815848_200000230759 [0,2,0,0,0,0|0,1,0]=3 12949 B16R1.994 COCOc1ccccc1SC[C@@H](O)CO 62a_200000230759_100009815848 [0,2,0,0,0,0|0,1,0]=3 12950 B16R1.994 COCOc1cccnc1SCC(O)CO 62a_100011219619_100011935308 [0,2,0,0,0,0|1,1,0]=4 12951 B16R1.994 COCOc1cccnc1SCC(O)CO 62a_100011935308_100011219619 [0,2,0,0,0,0|1,1,0]=4 12952 B16R1.994 COCOc1cccnc1SC[C@@H](O)CO 62a_100009815848_100011935308 [0,2,0,0,0,0|1,1,0]=4 12953 B16R1.994 COCOc1cccnc1SC[C@@H](O)CO 62a_100011935308_100009815848 [0,2,0,0,0,0|1,1,0]=4 12954 B16R1.994 C[C@@H](CO)CNc1ccccc1OCCF 34a_100012000959_100000059175 [0,2,0,0,0,0|2,0,0]=4 12955 B16R1.994 C[C@@H](CO)CNc1ccccc1OCCO 34a_100132302172_100000059175 [0,2,0,0,0,0|2,0,0]=4 12956 B16R1.994 C[C@@H](CO)COc1ccccc1OCCO 34a_100000181789_100000059175 [0,2,0,0,0,0|1,0,0]=3 12957 B16R1.994 C[C@@H](CO)COc1ccccc1OCCO 7a_100000181789_100000059175 [0,2,0,0,0,0|1,0,0]=3 12958 B16R1.994 C[C@@H](CO)CSc1ccccc1OCC#N 62a_100000059175_200000173881 [0,2,0,0,0,0|1,1,0]=4 12959 B16R1.994 C[C@@H](CO)CSc1ccccc1OCC#N 62a_200000173881_100000059175 [0,2,0,0,0,0|1,1,0]=4 12960 B16R1.994 C[C@@H](CO)CSc1ccccc1OCCN 62a_100000059175_100000744007 [0,2,0,0,0,0|1,1,0]=4 12961 B16R1.994 C[C@@H](CO)CSc1ccccc1OCCN 62a_100000744007_100000059175 [0,2,0,0,0,0|1,1,0]=4 12962 B16R1.994 C[C@@H](CO)CSc1ccccc1OCCO 62a_100000059175_100000230753 [0,2,0,0,0,0|1,1,0]=4 12963 B16R1.994 C[C@@H](CO)CSc1ccccc1OCCO 62a_100000230753_100000059175 [0,2,0,0,0,0|1,1,0]=4 12964 B16R1.994 N#CCOc1ccccc1SCC(O)CO 62a_100011219619_200000173881 [0,2,0,0,0,0|0,1,0]=3 12965 B16R1.994 N#CCOc1ccccc1SCC(O)CO 62a_200000173881_100011219619 [0,2,0,0,0,0|0,1,0]=3 12966 B16R1.994 N#CCOc1ccccc1SC[C@@H](O)CF 62a_100015614560_200000173881 [0,2,0,0,0,0|1,1,0]=4 12967 B16R1.994 N#CCOc1ccccc1SC[C@@H](O)CF 62a_200000173881_100015614560 [0,2,0,0,0,0|1,1,0]=4 12968 B16R1.994 N#CCOc1ccccc1SC[C@@H](O)CO 62a_100009815848_200000173881 [0,2,0,0,0,0|0,1,0]=3 12969 B16R1.994 N#CCOc1ccccc1SC[C@@H](O)CO 62a_200000173881_100009815848 [0,2,0,0,0,0|0,1,0]=3 12970 B16R1.994 NCCOc1ccccc1SCC(O)CO 62a_100000744007_100011219619 [0,2,0,0,0,0|0,1,0]=3 12971 B16R1.994 NCCOc1ccccc1SCC(O)CO 62a_100011219619_100000744007 [0,2,0,0,0,0|0,1,0]=3 12972 B16R1.994 NCCOc1ccccc1SC[C@@H](O)CF 62a_100000744007_100015614560 [0,2,0,0,0,0|1,1,0]=4 12973 B16R1.994 NCCOc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000744007 [0,2,0,0,0,0|1,1,0]=4 12974 B16R1.994 NCCOc1ccccc1SC[C@@H](O)CO 62a_100000744007_100009815848 [0,2,0,0,0,0|0,1,0]=3 12975 B16R1.994 NCCOc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000744007 [0,2,0,0,0,0|0,1,0]=3 12976 B16R1.994 O=CCCc1ccccc1SCC(O)CO 62a_100011219619_100011713448 [0,2,0,0,0,0|1,1,0]=4 12977 B16R1.994 O=CCCc1ccccc1SCC(O)CO 62a_100011713448_100011219619 [0,2,0,0,0,0|1,1,0]=4 12978 B16R1.994 O=CCCc1ccccc1SC[C@@H](O)CO 62a_100009815848_100011713448 [0,2,0,0,0,0|1,1,0]=4 12979 B16R1.994 O=CCCc1ccccc1SC[C@@H](O)CO 62a_100011713448_100009815848 [0,2,0,0,0,0|1,1,0]=4 12980 B16R1.994 OCC#Cc1ccccc1SCC(O)CO 62a_100009814404_100011219619 [0,2,0,0,0,0|1,1,0]=4 12981 B16R1.994 OCC#Cc1ccccc1SCC(O)CO 62a_100011219619_100009814404 [0,2,0,0,0,0|1,1,0]=4 12982 B16R1.994 OCC#Cc1ccccc1SC[C@@H](O)CO 62a_100009814404_100009815848 [0,2,0,0,0,0|1,1,0]=4 12983 B16R1.994 OCC#Cc1ccccc1SC[C@@H](O)CO 62a_100009815848_100009814404 [0,2,0,0,0,0|1,1,0]=4 12984 B16R1.994 OCC(O)CNc1ccccc1OCCF 34a_100012000959_100011219619 [0,2,0,0,0,0|1,0,0]=3 12985 B16R1.994 OCC(O)CSc1ncccc1OCCF 62a_100011219619_100012814765 [0,2,0,0,0,0|1,1,0]=4 12986 B16R1.994 OCC(O)CSc1ncccc1OCCF 62a_100012814765_100011219619 [0,2,0,0,0,0|1,1,0]=4 12987 B16R1.994 OCCCc1ccccc1SCC(O)CO 62a_100000699526_100011219619 [0,2,0,0,0,0|1,1,0]=4 12988 B16R1.994 OCCCc1ccccc1SCC(O)CO 62a_100011219619_100000699526 [0,2,0,0,0,0|1,1,0]=4 12989 B16R1.994 OCCCc1ccccc1SC[C@@H](O)CO 62a_100000699526_100009815848 [0,2,0,0,0,0|1,1,0]=4 12990 B16R1.994 OCCCc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000699526 [0,2,0,0,0,0|1,1,0]=4 12991 B16R1.994 OCCOc1ccccc1NCC(O)CO 34a_100132302172_100011219619 [0,2,0,0,0,0|1,0,0]=3 12992 B16R1.994 OCCOc1ccccc1NC[C@@H](O)CF 34a_100132302172_100015614560 [0,2,0,0,0,0|2,0,0]=4 12993 B16R1.994 OCCOc1ccccc1NC[C@@H](O)CO 34a_100132302172_100009815848 [0,2,0,0,0,0|1,0,0]=3 12994 B16R1.994 OCCOc1ccccc1OCC(O)CO 34a_100000181789_100011219619 [0,2,0,0,0,0|0,0,0]=2 12995 B16R1.994 OCCOc1ccccc1OCC(O)CO 7a_100000181789_100011219619 [0,2,0,0,0,0|0,0,0]=2 12996 B16R1.994 OCCOc1ccccc1OC[C@@H](O)CF 34a_100000181789_100015614560 [0,2,0,0,0,0|1,0,0]=3 12997 B16R1.994 OCCOc1ccccc1OC[C@@H](O)CF 7a_100000181789_100015614560 [0,2,0,0,0,0|1,0,0]=3 12998 B16R1.994 OCCOc1ccccc1OC[C@@H](O)CO 34a_100000181789_100009815848 [0,2,0,0,0,0|0,0,0]=2 12999 B16R1.994 OCCOc1ccccc1OC[C@@H](O)CO 7a_100000181789_100009815848 [0,2,0,0,0,0|0,0,0]=2 13000 B16R1.994 OCCOc1ccccc1SCC(O)CO 62a_100000230753_100011219619 [0,2,0,0,0,0|0,1,0]=3 13001 B16R1.994 OCCOc1ccccc1SCC(O)CO 62a_100011219619_100000230753 [0,2,0,0,0,0|0,1,0]=3 13002 B16R1.994 OCCOc1ccccc1SC[C@@H](O)CF 62a_100000230753_100015614560 [0,2,0,0,0,0|1,1,0]=4 13003 B16R1.994 OCCOc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000230753 [0,2,0,0,0,0|1,1,0]=4 13004 B16R1.994 OCCOc1ccccc1SC[C@@H](O)CO 62a_100000230753_100009815848 [0,2,0,0,0,0|0,1,0]=3 13005 B16R1.994 OCCOc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000230753 [0,2,0,0,0,0|0,1,0]=3 13006 B16R1.994 OCCSc1ccccc1SCC(O)CO 62a_100011219619_200000230852 [0,2,0,0,0,0|0,2,0]=4 13007 B16R1.994 OCCSc1ccccc1SCC(O)CO 62a_200000230852_100011219619 [0,2,0,0,0,0|0,2,0]=4 13008 B16R1.994 OCCSc1ccccc1SC[C@@H](O)CO 62a_100009815848_200000230852 [0,2,0,0,0,0|0,2,0]=4 13009 B16R1.994 OCCSc1ccccc1SC[C@@H](O)CO 62a_200000230852_100009815848 [0,2,0,0,0,0|0,2,0]=4 13010 B16R1.994 OC[C@@H](O)CNc1ncccc1OCCF 27a_100020644852_100012814765 [0,2,0,0,0,0|2,0,0]=4 13011 B16R1.994 OC[C@H](O)CNc1ccccc1OCCF 34a_100012000959_100009815848 [0,2,0,0,0,0|1,0,0]=3 13012 B16R1.994 OC[C@H](O)CSc1ncccc1OCCF 62a_100009815848_100012814765 [0,2,0,0,0,0|1,1,0]=4 13013 B16R1.994 OC[C@H](O)CSc1ncccc1OCCF 62a_100012814765_100009815848 [0,2,0,0,0,0|1,1,0]=4 13014 B16R1.994 O[C@@H](CF)CNc1ccccc1OCCF 34a_100012000959_100015614560 [0,2,0,0,0,0|2,0,0]=4 13015 B16R1.1330 C=CC(O)COc1ccccc1OC(C)C 34a_100011218612_100000730141 [0,2,0,0,0,0|1,0,1]=4 13016 B16R1.1330 C=CC(O)COc1ccccc1OC(C)C 7a_100011218612_100000730141 [0,2,0,0,0,0|1,0,1]=4 13017 B16R1.1330 C=CC(O)COc1ccccc1OC(F)F 34a_100000752575_100000730141 [0,2,0,0,0,0|1,0,1]=4 13018 B16R1.1330 C=CC(O)COc1ccccc1OC(F)F 7a_100000752575_100000730141 [0,2,0,0,0,0|1,0,1]=4 13019 B16R1.1330 CC(=O)Cc1ccccc1SCC(O)CO 62a_100011219619_100011350739 [0,2,0,0,0,0|1,1,0]=4 13020 B16R1.1330 CC(=O)Cc1ccccc1SCC(O)CO 62a_100011350739_100011219619 [0,2,0,0,0,0|1,1,0]=4 13021 B16R1.1330 CC(=O)Cc1ccccc1SC[C@@H](O)CO 62a_100009815848_100011350739 [0,2,0,0,0,0|1,1,0]=4 13022 B16R1.1330 CC(=O)Cc1ccccc1SC[C@@H](O)CO 62a_100011350739_100009815848 [0,2,0,0,0,0|1,1,0]=4 13023 B16R1.1330 CC(=O)Nc1ccccc1NCC(O)CO 34a_100011193560_100011219619 [0,2,0,0,0,0|2,0,0]=4 13024 B16R1.1330 CC(=O)Nc1ccccc1NC[C@@H](O)CO 34a_100011193560_100009815848 [0,2,0,0,0,0|2,0,0]=4 13025 B16R1.1330 CC(=O)Nc1ccccc1OCC(O)CO 34a_100000185124_100011219619 [0,2,0,0,0,0|1,0,0]=3 13026 B16R1.1330 CC(=O)Nc1ccccc1OCC(O)CO 7a_100000185124_100011219619 [0,2,0,0,0,0|1,0,0]=3 13027 B16R1.1330 CC(=O)Nc1ccccc1OC[C@@H](C)CO 34a_100000185124_100000059175 [0,2,0,0,0,0|2,0,0]=4 13028 B16R1.1330 CC(=O)Nc1ccccc1OC[C@@H](C)CO 7a_100000185124_100000059175 [0,2,0,0,0,0|2,0,0]=4 13029 B16R1.1330 CC(=O)Nc1ccccc1OC[C@@H](O)CF 34a_100000185124_100015614560 [0,2,0,0,0,0|2,0,0]=4 13030 B16R1.1330 CC(=O)Nc1ccccc1OC[C@@H](O)CF 7a_100000185124_100015614560 [0,2,0,0,0,0|2,0,0]=4 13031 B16R1.1330 CC(=O)Nc1ccccc1OC[C@@H](O)CO 34a_100000185124_100009815848 [0,2,0,0,0,0|1,0,0]=3 13032 B16R1.1330 CC(=O)Nc1ccccc1OC[C@@H](O)CO 7a_100000185124_100009815848 [0,2,0,0,0,0|1,0,0]=3 13033 B16R1.1330 CC(=O)Nc1ccccc1SCC(O)CO 62a_100011219619_100000153524 [0,2,0,0,0,0|1,1,0]=4 13034 B16R1.1330 CC(=O)Nc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000153524 [0,2,0,0,0,0|1,1,0]=4 13035 B16R1.1330 CC(=O)Nc1ncccc1OCC(O)CO 34a_200000022013_100011219619 [0,2,0,0,0,0|2,0,0]=4 13036 B16R1.1330 CC(=O)Nc1ncccc1OCC(O)CO 7a_200000022013_100011219619 [0,2,0,0,0,0|2,0,0]=4 13037 B16R1.1330 CC(=O)Nc1ncccc1OC[C@@H](O)CO 34a_200000022013_100009815848 [0,2,0,0,0,0|2,0,0]=4 13038 B16R1.1330 CC(=O)Nc1ncccc1OC[C@@H](O)CO 7a_200000022013_100009815848 [0,2,0,0,0,0|2,0,0]=4 13039 B16R1.1330 CC(=O)Oc1ccccc1SCC(O)CO 62a_100000051690_100011219619 [0,2,0,0,0,0|0,1,0]=3 13040 B16R1.1330 CC(=O)Oc1ccccc1SCC(O)CO 62a_100011219619_100000051690 [0,2,0,0,0,0|0,1,0]=3 13041 B16R1.1330 CC(=O)Oc1ccccc1SC[C@@H](C)CO 62a_100000051690_100000059175 [0,2,0,0,0,0|1,1,0]=4 13042 B16R1.1330 CC(=O)Oc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000051690 [0,2,0,0,0,0|1,1,0]=4 13043 B16R1.1330 CC(=O)Oc1ccccc1SC[C@@H](O)CF 62a_100000051690_100015614560 [0,2,0,0,0,0|1,1,0]=4 13044 B16R1.1330 CC(=O)Oc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000051690 [0,2,0,0,0,0|1,1,0]=4 13045 B16R1.1330 CC(=O)Oc1ccccc1SC[C@@H](O)CO 62a_100000051690_100009815848 [0,2,0,0,0,0|0,1,0]=3 13046 B16R1.1330 CC(=O)Oc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000051690 [0,2,0,0,0,0|0,1,0]=3 13047 B16R1.1330 CC(=O)Oc1cccnc1SCC(O)CO 62a_100011219619_200009815371 [0,2,0,0,0,0|1,1,0]=4 13048 B16R1.1330 CC(=O)Oc1cccnc1SCC(O)CO 62a_200009815371_100011219619 [0,2,0,0,0,0|1,1,0]=4 13049 B16R1.1330 CC(=O)Oc1cccnc1SC[C@@H](O)CO 62a_100009815848_200009815371 [0,2,0,0,0,0|1,1,0]=4 13050 B16R1.1330 CC(=O)Oc1cccnc1SC[C@@H](O)CO 62a_200009815371_100009815848 [0,2,0,0,0,0|1,1,0]=4 13051 B16R1.1330 CC(C)Nc1ccccc1SCC(O)CO 62a_100000219599_100011219619 [0,2,0,0,0,0|1,1,0]=4 13052 B16R1.1330 CC(C)Nc1ccccc1SCC(O)CO 62a_100011219619_100000219599 [0,2,0,0,0,0|1,1,0]=4 13053 B16R1.1330 CC(C)Nc1ccccc1SC[C@@H](O)CO 62a_100000219599_100009815848 [0,2,0,0,0,0|1,1,0]=4 13054 B16R1.1330 CC(C)Nc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000219599 [0,2,0,0,0,0|1,1,0]=4 13055 B16R1.1330 CC(C)Oc1ccccc1NCC(O)CO 2230a_100000739276_100011219619 [0,2,0,0,0,0|1,0,0]=3 13056 B16R1.1330 CC(C)Oc1ccccc1NCC(O)CO 34a_100000739276_100011219619 [0,2,0,0,0,0|1,0,0]=3 13057 B16R1.1330 CC(C)Oc1ccccc1NC[C@@H](C)CO 2230a_100000739276_100000059175 [0,2,0,0,0,0|2,0,0]=4 13058 B16R1.1330 CC(C)Oc1ccccc1NC[C@@H](C)CO 34a_100000739276_100000059175 [0,2,0,0,0,0|2,0,0]=4 13059 B16R1.1330 CC(C)Oc1ccccc1NC[C@@H](O)CF 2230a_100000739276_100015614560 [0,2,0,0,0,0|2,0,0]=4 13060 B16R1.1330 CC(C)Oc1ccccc1NC[C@@H](O)CF 34a_100000739276_100015614560 [0,2,0,0,0,0|2,0,0]=4 13061 B16R1.1330 CC(C)Oc1ccccc1NC[C@@H](O)CO 2230a_100000739276_100009815848 [0,2,0,0,0,0|1,0,0]=3 13062 B16R1.1330 CC(C)Oc1ccccc1NC[C@@H](O)CO 34a_100000739276_100009815848 [0,2,0,0,0,0|1,0,0]=3 13063 B16R1.1330 CC(C)Oc1ccccc1OCC(O)CO 34a_100011218612_100011219619 [0,2,0,0,0,0|0,0,0]=2 13064 B16R1.1330 CC(C)Oc1ccccc1OCC(O)CO 7a_100011218612_100011219619 [0,2,0,0,0,0|0,0,0]=2 13065 B16R1.1330 CC(C)Oc1ccccc1OC[C@@H](C)CO 34a_100011218612_100000059175 [0,2,0,0,0,0|1,0,0]=3 13066 B16R1.1330 CC(C)Oc1ccccc1OC[C@@H](C)CO 7a_100011218612_100000059175 [0,2,0,0,0,0|1,0,0]=3 13067 B16R1.1330 CC(C)Oc1ccccc1OC[C@@H](O)CF 34a_100011218612_100015614560 [0,2,0,0,0,0|1,0,0]=3 13068 B16R1.1330 CC(C)Oc1ccccc1OC[C@@H](O)CF 7a_100011218612_100015614560 [0,2,0,0,0,0|1,0,0]=3 13069 B16R1.1330 CC(C)Oc1ccccc1OC[C@@H](O)CO 34a_100011218612_100009815848 [0,2,0,0,0,0|0,0,0]=2 13070 B16R1.1330 CC(C)Oc1ccccc1OC[C@@H](O)CO 7a_100011218612_100009815848 [0,2,0,0,0,0|0,0,0]=2 13071 B16R1.1330 CC(C)Oc1ccccc1SCC(O)CO 62a_100000173919_100011219619 [0,2,0,0,0,0|0,1,0]=3 13072 B16R1.1330 CC(C)Oc1ccccc1SCC(O)CO 62a_100011219619_100000173919 [0,2,0,0,0,0|0,1,0]=3 13073 B16R1.1330 CC(C)Oc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000173919 [0,2,0,0,0,0|1,1,0]=4 13074 B16R1.1330 CC(C)Oc1ccccc1SC[C@@H](C)CO 62a_100000173919_100000059175 [0,2,0,0,0,0|1,1,0]=4 13075 B16R1.1330 CC(C)Oc1ccccc1SC[C@@H](O)CF 62a_100000173919_100015614560 [0,2,0,0,0,0|1,1,0]=4 13076 B16R1.1330 CC(C)Oc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000173919 [0,2,0,0,0,0|1,1,0]=4 13077 B16R1.1330 CC(C)Oc1ccccc1SC[C@@H](O)CO 62a_100000173919_100009815848 [0,2,0,0,0,0|0,1,0]=3 13078 B16R1.1330 CC(C)Oc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000173919 [0,2,0,0,0,0|0,1,0]=3 13079 B16R1.1330 CC(C)Oc1ncccc1SCC(O)CO 62a_100011219619_200011465186 [0,2,0,0,0,0|1,1,0]=4 13080 B16R1.1330 CC(C)Oc1ncccc1SCC(O)CO 62a_200011465186_100011219619 [0,2,0,0,0,0|1,1,0]=4 13081 B16R1.1330 CC(C)Oc1ncccc1SC[C@@H](O)CO 62a_100009815848_200011465186 [0,2,0,0,0,0|1,1,0]=4 13082 B16R1.1330 CC(C)Oc1ncccc1SC[C@@H](O)CO 62a_200011465186_100009815848 [0,2,0,0,0,0|1,1,0]=4 13083 B16R1.1330 CC(C)Sc1ccccc1NCC(O)CO 2230a_100000688217_100011219619 [0,2,0,0,0,0|1,1,0]=4 13084 B16R1.1330 CC(C)Sc1ccccc1NCC(O)CO 34a_100000688217_100011219619 [0,2,0,0,0,0|1,1,0]=4 13085 B16R1.1330 CC(C)Sc1ccccc1NC[C@@H](O)CO 2230a_100000688217_100009815848 [0,2,0,0,0,0|1,1,0]=4 13086 B16R1.1330 CC(C)Sc1ccccc1NC[C@@H](O)CO 34a_100000688217_100009815848 [0,2,0,0,0,0|1,1,0]=4 13087 B16R1.1330 CCC(C)COc1ccccc1OC(C)C 34a_100011218612_100000748023 [0,2,0,0,0,0|2,0,0]=4 13088 B16R1.1330 CCC(C)COc1ccccc1OC(C)C 7a_100011218612_100000748023 [0,2,0,0,0,0|2,0,0]=4 13089 B16R1.1330 CCC(C)COc1ccccc1OC(F)F 34a_100000752575_100000748023 [0,2,0,0,0,0|2,0,0]=4 13090 B16R1.1330 CCC(C)COc1ccccc1OC(F)F 7a_100000752575_100000748023 [0,2,0,0,0,0|2,0,0]=4 13091 B16R1.1330 CCC(O)CNc1ccccc1OC(C)C 2230a_100000739276_100011218378 [0,2,0,0,0,0|2,0,0]=4 13092 B16R1.1330 CCC(O)CNc1ccccc1OC(C)C 34a_100000739276_100011218378 [0,2,0,0,0,0|2,0,0]=4 13093 B16R1.1330 CCC(O)CNc1ccccc1OC(F)F 2230a_100000182466_100011218378 [0,2,0,0,0,0|2,0,0]=4 13094 B16R1.1330 CCC(O)CNc1ccccc1OC(F)F 34a_100000182466_100011218378 [0,2,0,0,0,0|2,0,0]=4 13095 B16R1.1330 CCC(O)COc1ccccc1NC(=O)C 34a_100000185124_100011218378 [0,2,0,0,0,0|2,0,0]=4 13096 B16R1.1330 CCC(O)COc1ccccc1NC(=O)C 7a_100000185124_100011218378 [0,2,0,0,0,0|2,0,0]=4 13097 B16R1.1330 CCC(O)COc1ccccc1OC(C)C 34a_100011218612_100011218378 [0,2,0,0,0,0|1,0,0]=3 13098 B16R1.1330 CCC(O)COc1ccccc1OC(C)C 7a_100011218612_100011218378 [0,2,0,0,0,0|1,0,0]=3 13099 B16R1.1330 CCC(O)COc1ccccc1OC(F)F 34a_100000752575_100011218378 [0,2,0,0,0,0|1,0,0]=3 13100 B16R1.1330 CCC(O)COc1ccccc1OC(F)F 7a_100000752575_100011218378 [0,2,0,0,0,0|1,0,0]=3 13101 B16R1.1330 CCC(O)CSc1ccccc1OC(=O)C 62a_100000051690_100011218378 [0,2,0,0,0,0|1,1,0]=4 13102 B16R1.1330 CCC(O)CSc1ccccc1OC(=O)C 62a_100011218378_100000051690 [0,2,0,0,0,0|1,1,0]=4 13103 B16R1.1330 CCC(O)CSc1ccccc1OC(C)C 62a_100000173919_100011218378 [0,2,0,0,0,0|1,1,0]=4 13104 B16R1.1330 CCC(O)CSc1ccccc1OC(C)C 62a_100011218378_100000173919 [0,2,0,0,0,0|1,1,0]=4 13105 B16R1.1330 CCC(O)CSc1ccccc1OC(F)F 62a_100011218378_100011263859 [0,2,0,0,0,0|1,1,0]=4 13106 B16R1.1330 CCC(O)CSc1ccccc1OC(F)F 62a_100011263859_100011218378 [0,2,0,0,0,0|1,1,0]=4 13107 B16R1.1330 CC[C@H](C)COc1ccccc1OC(C)C 34a_100011218612_100009816398 [0,2,0,0,0,0|2,0,0]=4 13108 B16R1.1330 CC[C@H](C)COc1ccccc1OC(C)C 7a_100011218612_100009816398 [0,2,0,0,0,0|2,0,0]=4 13109 B16R1.1330 CC[C@H](C)COc1ccccc1OC(F)F 34a_100000752575_100009816398 [0,2,0,0,0,0|2,0,0]=4 13110 B16R1.1330 CC[C@H](C)COc1ccccc1OC(F)F 7a_100000752575_100009816398 [0,2,0,0,0,0|2,0,0]=4 13111 B16R1.1330 CN(C)Cc1ccccc1SCC(O)CO 62a_100000174758_100011219619 [0,2,0,0,0,0|1,1,0]=4 13112 B16R1.1330 CN(C)Cc1ccccc1SCC(O)CO 62a_100011219619_100000174758 [0,2,0,0,0,0|1,1,0]=4 13113 B16R1.1330 CN(C)Cc1ccccc1SC[C@@H](O)CO 62a_100000174758_100009815848 [0,2,0,0,0,0|1,1,0]=4 13114 B16R1.1330 CN(C)Cc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000174758 [0,2,0,0,0,0|1,1,0]=4 13115 B16R1.1330 C[C@@H](CO)CNc1ccccc1OC(F)F 2230a_100000182466_100000059175 [0,2,0,0,0,0|2,0,0]=4 13116 B16R1.1330 C[C@@H](CO)CNc1ccccc1OC(F)F 34a_100000182466_100000059175 [0,2,0,0,0,0|2,0,0]=4 13117 B16R1.1330 C[C@@H](CO)COc1ccccc1OC(F)F 34a_100000752575_100000059175 [0,2,0,0,0,0|1,0,0]=3 13118 B16R1.1330 C[C@@H](CO)COc1ccccc1OC(F)F 7a_100000752575_100000059175 [0,2,0,0,0,0|1,0,0]=3 13119 B16R1.1330 C[C@@H](CO)CSc1ccccc1OC(F)F 62a_100000059175_100011263859 [0,2,0,0,0,0|1,1,0]=4 13120 B16R1.1330 C[C@@H](CO)CSc1ccccc1OC(F)F 62a_100011263859_100000059175 [0,2,0,0,0,0|1,1,0]=4 13121 B16R1.1330 NC(=S)Nc1ccccc1OCC(O)CO 7a_200000011649_100011219619 [0,2,0,0,0,0|1,0,1]=4 13122 B16R1.1330 NC(=S)Nc1ccccc1OC[C@@H](O)CO 7a_200000011649_100009815848 [0,2,0,0,0,0|1,0,1]=4 13123 B16R1.1330 OCC(O)CNc1ccccc1OC(F)F 2230a_100000182466_100011219619 [0,2,0,0,0,0|1,0,0]=3 13124 B16R1.1330 OCC(O)CNc1ccccc1OC(F)F 34a_100000182466_100011219619 [0,2,0,0,0,0|1,0,0]=3 13125 B16R1.1330 OCC(O)COc1ccccc1OC(F)F 34a_100000752575_100011219619 [0,2,0,0,0,0|0,0,0]=2 13126 B16R1.1330 OCC(O)COc1ccccc1OC(F)F 7a_100000752575_100011219619 [0,2,0,0,0,0|0,0,0]=2 13127 B16R1.1330 OCC(O)CSc1ccccc1OC(F)F 62a_100011219619_100011263859 [0,2,0,0,0,0|0,1,0]=3 13128 B16R1.1330 OCC(O)CSc1ccccc1OC(F)F 62a_100011263859_100011219619 [0,2,0,0,0,0|0,1,0]=3 13129 B16R1.1330 OCC(O)CSc1ncccc1OC(F)F 62a_100000697348_100011219619 [0,2,0,0,0,0|1,1,0]=4 13130 B16R1.1330 OCC(O)CSc1ncccc1OC(F)F 62a_100011219619_100000697348 [0,2,0,0,0,0|1,1,0]=4 13131 B16R1.1330 OC[C@H](O)CNc1ccccc1OC(F)F 2230a_100000182466_100009815848 [0,2,0,0,0,0|1,0,0]=3 13132 B16R1.1330 OC[C@H](O)CNc1ccccc1OC(F)F 34a_100000182466_100009815848 [0,2,0,0,0,0|1,0,0]=3 13133 B16R1.1330 OC[C@H](O)COc1ccccc1OC(F)F 34a_100000752575_100009815848 [0,2,0,0,0,0|0,0,0]=2 13134 B16R1.1330 OC[C@H](O)COc1ccccc1OC(F)F 7a_100000752575_100009815848 [0,2,0,0,0,0|0,0,0]=2 13135 B16R1.1330 OC[C@H](O)CSc1ccccc1OC(F)F 62a_100009815848_100011263859 [0,2,0,0,0,0|0,1,0]=3 13136 B16R1.1330 OC[C@H](O)CSc1ccccc1OC(F)F 62a_100011263859_100009815848 [0,2,0,0,0,0|0,1,0]=3 13137 B16R1.1330 OC[C@H](O)CSc1ncccc1OC(F)F 62a_100000697348_100009815848 [0,2,0,0,0,0|1,1,0]=4 13138 B16R1.1330 OC[C@H](O)CSc1ncccc1OC(F)F 62a_100009815848_100000697348 [0,2,0,0,0,0|1,1,0]=4 13139 B16R1.1330 O[C@@H](CF)CNc1ccccc1OC(F)F 2230a_100000182466_100015614560 [0,2,0,0,0,0|2,0,0]=4 13140 B16R1.1330 O[C@@H](CF)CNc1ccccc1OC(F)F 34a_100000182466_100015614560 [0,2,0,0,0,0|2,0,0]=4 13141 B16R1.1330 O[C@@H](CF)COc1ccccc1OC(F)F 34a_100000752575_100015614560 [0,2,0,0,0,0|1,0,0]=3 13142 B16R1.1330 O[C@@H](CF)COc1ccccc1OC(F)F 7a_100000752575_100015614560 [0,2,0,0,0,0|1,0,0]=3 13143 B16R1.1330 O[C@@H](CF)CSc1ccccc1OC(F)F 62a_100011263859_100015614560 [0,2,0,0,0,0|1,1,0]=4 13144 B16R1.1330 O[C@@H](CF)CSc1ccccc1OC(F)F 62a_100015614560_100011263859 [0,2,0,0,0,0|1,1,0]=4 13145 B16R1.1332 C=CC(O)COc1ccccc1C(=O)OC 7a_100000150335_100000730141 [0,2,0,0,0,0|1,0,1]=4 13146 B16R1.1332 CC(=NO)c1ccccc1OCC(O)CO 34a_100000164216_100011219619 [0,2,0,0,0,0|1,0,0]=3 13147 B16R1.1332 CC(=NO)c1ccccc1OC[C@@H](C)CO 34a_100000164216_100000059175 [0,2,0,0,0,0|2,0,0]=4 13148 B16R1.1332 CC(=NO)c1ccccc1OC[C@@H](O)CF 34a_100000164216_100015614560 [0,2,0,0,0,0|2,0,0]=4 13149 B16R1.1332 CC(=NO)c1ccccc1OC[C@@H](O)CO 34a_100000164216_100009815848 [0,2,0,0,0,0|1,0,0]=3 13150 B16R1.1332 CC(C#N)c1ccccc1SCC(O)CO 62a_100011219619_200010232107 [0,2,0,0,0,0|1,1,0]=4 13151 B16R1.1332 CC(C#N)c1ccccc1SCC(O)CO 62a_200010232107_100011219619 [0,2,0,0,0,0|1,1,0]=4 13152 B16R1.1332 CC(C#N)c1ccccc1SC[C@@H](O)CO 62a_100009815848_200010232107 [0,2,0,0,0,0|1,1,0]=4 13153 B16R1.1332 CC(C#N)c1ccccc1SC[C@@H](O)CO 62a_200010232107_100009815848 [0,2,0,0,0,0|1,1,0]=4 13154 B16R1.1332 CCC(=O)c1ccccc1OCC(O)CC 7a_100000184720_100011218378 [0,2,0,0,0,0|2,0,0]=4 13155 B16R1.1332 CCC(=O)c1ccccc1OCC(O)CO 7a_100000184720_100011219619 [0,2,0,0,0,0|1,0,0]=3 13156 B16R1.1332 CCC(=O)c1ccccc1OC[C@@H](C)CO 7a_100000184720_100000059175 [0,2,0,0,0,0|2,0,0]=4 13157 B16R1.1332 CCC(=O)c1ccccc1OC[C@@H](O)CF 7a_100000184720_100015614560 [0,2,0,0,0,0|2,0,0]=4 13158 B16R1.1332 CCC(=O)c1ccccc1OC[C@@H](O)CO 7a_100000184720_100009815848 [0,2,0,0,0,0|1,0,0]=3 13159 B16R1.1332 CCC(C)COc1ccccc1C(=O)OC 7a_100000150335_100000748023 [0,2,0,0,0,0|2,0,0]=4 13160 B16R1.1332 CCC(C)c1ccccc1NCC(O)CO 2230a_200000211393_100011219619 [0,2,0,0,0,0|2,0,0]=4 13161 B16R1.1332 CCC(C)c1ccccc1NCC(O)CO 7a_200000211393_100011219619 [0,2,0,0,0,0|2,0,0]=4 13162 B16R1.1332 CCC(C)c1ccccc1NC[C@@H](O)CO 2230a_200000211393_100009815848 [0,2,0,0,0,0|2,0,0]=4 13163 B16R1.1332 CCC(C)c1ccccc1NC[C@@H](O)CO 7a_200000211393_100009815848 [0,2,0,0,0,0|2,0,0]=4 13164 B16R1.1332 CCC(C)c1ccccc1OCC(O)CO 7a_100000211618_100011219619 [0,2,0,0,0,0|1,0,0]=3 13165 B16R1.1332 CCC(C)c1ccccc1OC[C@@H](C)CO 7a_100000211618_100000059175 [0,2,0,0,0,0|2,0,0]=4 13166 B16R1.1332 CCC(C)c1ccccc1OC[C@@H](O)CF 7a_100000211618_100015614560 [0,2,0,0,0,0|2,0,0]=4 13167 B16R1.1332 CCC(C)c1ccccc1OC[C@@H](O)CO 7a_100000211618_100009815848 [0,2,0,0,0,0|1,0,0]=3 13168 B16R1.1332 CCC(O)COc1ccccc1C(=NO)C 34a_100000164216_100011218378 [0,2,0,0,0,0|2,0,0]=4 13169 B16R1.1332 CCC(O)COc1ccccc1C(=O)CBr 7a_100000188908_100011218378 [0,2,0,0,0,0|2,0,0]=4 13170 B16R1.1332 CCC(O)COc1ccccc1C(=O)NC 34a_100000185920_100011218378 [0,2,0,0,0,0|2,0,0]=4 13171 B16R1.1332 CCC(O)COc1ccccc1C(=O)NC 7a_100000185920_100011218378 [0,2,0,0,0,0|2,0,0]=4 13172 B16R1.1332 CCC(O)COc1ccccc1C(=O)OC 7a_100000150335_100011218378 [0,2,0,0,0,0|1,0,0]=3 13173 B16R1.1332 CCC(O)COc1ccccc1C(C)CC 7a_100000211618_100011218378 [0,2,0,0,0,0|2,0,0]=4 13174 B16R1.1332 CCC(O)COc1cccnc1C(=O)OC 34a_100000744052_100011218378 [0,2,0,0,0,0|2,0,0]=4 13175 B16R1.1332 CCC(O)COc1cccnc1C(=O)OC 7a_100000744052_100011218378 [0,2,0,0,0,0|2,0,0]=4 13176 B16R1.1332 CCC(O)CSc1ccccc1C(=O)OC 62a_100000148710_100011218378 [0,2,0,0,0,0|1,1,0]=4 13177 B16R1.1332 CCC(O)CSc1ccccc1C(=O)OC 62a_100011218378_100000148710 [0,2,0,0,0,0|1,1,0]=4 13178 B16R1.1332 CC[C@H](C)COc1ccccc1C(=O)OC 7a_100000150335_100009816398 [0,2,0,0,0,0|2,0,0]=4 13179 B16R1.1332 CNC(=O)c1ccccc1NCC(O)CO 34a_100000185696_100011219619 [0,2,0,0,0,0|2,0,0]=4 13180 B16R1.1332 CNC(=O)c1ccccc1NC[C@@H](O)CO 34a_100000185696_100009815848 [0,2,0,0,0,0|2,0,0]=4 13181 B16R1.1332 CNC(=O)c1ccccc1NC[C@H](O)CO 27a_100020644852_100000155073 [0,2,0,0,0,0|2,0,0]=4 13182 B16R1.1332 CNC(=O)c1ccccc1OCC(O)CO 34a_100000185920_100011219619 [0,2,0,0,0,0|1,0,0]=3 13183 B16R1.1332 CNC(=O)c1ccccc1OCC(O)CO 7a_100000185920_100011219619 [0,2,0,0,0,0|1,0,0]=3 13184 B16R1.1332 CNC(=O)c1ccccc1OC[C@@H](C)CO 34a_100000185920_100000059175 [0,2,0,0,0,0|2,0,0]=4 13185 B16R1.1332 CNC(=O)c1ccccc1OC[C@@H](C)CO 7a_100000185920_100000059175 [0,2,0,0,0,0|2,0,0]=4 13186 B16R1.1332 CNC(=O)c1ccccc1OC[C@@H](O)CF 34a_100000185920_100015614560 [0,2,0,0,0,0|2,0,0]=4 13187 B16R1.1332 CNC(=O)c1ccccc1OC[C@@H](O)CF 7a_100000185920_100015614560 [0,2,0,0,0,0|2,0,0]=4 13188 B16R1.1332 CNC(=O)c1ccccc1OC[C@@H](O)CO 34a_100000185920_100009815848 [0,2,0,0,0,0|1,0,0]=3 13189 B16R1.1332 CNC(=O)c1ccccc1OC[C@@H](O)CO 7a_100000185920_100009815848 [0,2,0,0,0,0|1,0,0]=3 13190 B16R1.1332 CNC(=O)c1ccccc1SCC(O)CO 62a_100000155073_100011219619 [0,2,0,0,0,0|1,1,0]=4 13191 B16R1.1332 CNC(=O)c1ccccc1SCC(O)CO 62a_100011219619_100000155073 [0,2,0,0,0,0|1,1,0]=4 13192 B16R1.1332 CNC(=O)c1ccccc1SC[C@@H](O)CO 62a_100000155073_100009815848 [0,2,0,0,0,0|1,1,0]=4 13193 B16R1.1332 CNC(=O)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100000155073 [0,2,0,0,0,0|1,1,0]=4 13194 B16R1.1332 CNC(=O)c1ncccc1OCC(O)CO 34a_100011376092_100011219619 [0,2,0,0,0,0|2,0,0]=4 13195 B16R1.1332 CNC(=O)c1ncccc1OCC(O)CO 7a_100011376092_100011219619 [0,2,0,0,0,0|2,0,0]=4 13196 B16R1.1332 CNC(=O)c1ncccc1OC[C@@H](O)CO 34a_100011376092_100009815848 [0,2,0,0,0,0|2,0,0]=4 13197 B16R1.1332 CNC(=O)c1ncccc1OC[C@@H](O)CO 7a_100011376092_100009815848 [0,2,0,0,0,0|2,0,0]=4 13198 B16R1.1332 CNC(C)c1ccccc1SCC(O)CO 62a_100000692418_100011219619 [0,2,0,0,0,0|1,1,0]=4 13199 B16R1.1332 CNC(C)c1ccccc1SCC(O)CO 62a_100011219619_100000692418 [0,2,0,0,0,0|1,1,0]=4 13200 B16R1.1332 CNC(C)c1ccccc1SC[C@@H](O)CO 62a_100000692418_100009815848 [0,2,0,0,0,0|1,1,0]=4 13201 B16R1.1332 CNC(C)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100000692418 [0,2,0,0,0,0|1,1,0]=4 13202 B16R1.1332 COC(=O)c1ccccc1OCC(O)CO 7a_100000150335_100011219619 [0,2,0,0,0,0|0,0,0]=2 13203 B16R1.1332 COC(=O)c1ccccc1OC[C@@H](C)CO 7a_100000150335_100000059175 [0,2,0,0,0,0|1,0,0]=3 13204 B16R1.1332 COC(=O)c1ccccc1OC[C@@H](O)CF 7a_100000150335_100015614560 [0,2,0,0,0,0|1,0,0]=3 13205 B16R1.1332 COC(=O)c1ccccc1OC[C@@H](O)CO 7a_100000150335_100009815848 [0,2,0,0,0,0|0,0,0]=2 13206 B16R1.1332 COC(=O)c1ccccc1SCC(O)CO 62a_100000148710_100011219619 [0,2,0,0,0,0|0,1,0]=3 13207 B16R1.1332 COC(=O)c1ccccc1SCC(O)CO 62a_100011219619_100000148710 [0,2,0,0,0,0|0,1,0]=3 13208 B16R1.1332 COC(=O)c1ccccc1SC[C@@H](C)CO 62a_100000059175_100000148710 [0,2,0,0,0,0|1,1,0]=4 13209 B16R1.1332 COC(=O)c1ccccc1SC[C@@H](C)CO 62a_100000148710_100000059175 [0,2,0,0,0,0|1,1,0]=4 13210 B16R1.1332 COC(=O)c1ccccc1SC[C@@H](O)CF 62a_100000148710_100015614560 [0,2,0,0,0,0|1,1,0]=4 13211 B16R1.1332 COC(=O)c1ccccc1SC[C@@H](O)CF 62a_100015614560_100000148710 [0,2,0,0,0,0|1,1,0]=4 13212 B16R1.1332 COC(=O)c1ccccc1SC[C@@H](O)CO 62a_100000148710_100009815848 [0,2,0,0,0,0|0,1,0]=3 13213 B16R1.1332 COC(=O)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100000148710 [0,2,0,0,0,0|0,1,0]=3 13214 B16R1.1332 COC(=O)c1cccnc1NC[C@H](O)CO 27a_100020644852_100000150852 [0,2,0,0,0,0|2,0,0]=4 13215 B16R1.1332 COC(=O)c1cccnc1SCC(O)CO 62a_100011219619_100000150852 [0,2,0,0,0,0|1,1,0]=4 13216 B16R1.1332 COC(=O)c1cccnc1SCC(O)CO 62a_100011587185_100011219619 [0,2,0,0,0,0|1,1,0]=4 13217 B16R1.1332 COC(=O)c1cccnc1SC[C@@H](O)CO 62a_100009815848_100000150852 [0,2,0,0,0,0|1,1,0]=4 13218 B16R1.1332 COC(=O)c1cccnc1SC[C@@H](O)CO 62a_100011587185_100009815848 [0,2,0,0,0,0|1,1,0]=4 13219 B16R1.1332 COC(=O)c1ccncc1SCC(O)CO 62a_100010008606_100011219619 [0,2,0,0,0,0|1,1,0]=4 13220 B16R1.1332 COC(=O)c1ccncc1SCC(O)CO 62a_100011219619_100010008606 [0,2,0,0,0,0|1,1,0]=4 13221 B16R1.1332 COC(=O)c1ccncc1SC[C@@H](O)CO 62a_100009815848_100010008606 [0,2,0,0,0,0|1,1,0]=4 13222 B16R1.1332 COC(=O)c1ccncc1SC[C@@H](O)CO 62a_100010008606_100009815848 [0,2,0,0,0,0|1,1,0]=4 13223 B16R1.1332 COC(=O)c1cnccc1SCC(O)CO 62a_100011219619_100020629055 [0,2,0,0,0,0|1,1,0]=4 13224 B16R1.1332 COC(=O)c1cnccc1SCC(O)CO 62a_100020629055_100011219619 [0,2,0,0,0,0|1,1,0]=4 13225 B16R1.1332 COC(=O)c1cnccc1SC[C@@H](O)CO 62a_100009815848_100020629055 [0,2,0,0,0,0|1,1,0]=4 13226 B16R1.1332 COC(=O)c1cnccc1SC[C@@H](O)CO 62a_100020629055_100009815848 [0,2,0,0,0,0|1,1,0]=4 13227 B16R1.1332 COC(=O)c1ncccc1OCC(O)CO 34a_100000744052_100011219619 [0,2,0,0,0,0|1,0,0]=3 13228 B16R1.1332 COC(=O)c1ncccc1OCC(O)CO 7a_100000744052_100011219619 [0,2,0,0,0,0|1,0,0]=3 13229 B16R1.1332 COC(=O)c1ncccc1OC[C@@H](C)CO 34a_100000744052_100000059175 [0,2,0,0,0,0|2,0,0]=4 13230 B16R1.1332 COC(=O)c1ncccc1OC[C@@H](C)CO 7a_100000744052_100000059175 [0,2,0,0,0,0|2,0,0]=4 13231 B16R1.1332 COC(=O)c1ncccc1OC[C@@H](O)CF 34a_100000744052_100015614560 [0,2,0,0,0,0|2,0,0]=4 13232 B16R1.1332 COC(=O)c1ncccc1OC[C@@H](O)CF 7a_100000744052_100015614560 [0,2,0,0,0,0|2,0,0]=4 13233 B16R1.1332 COC(=O)c1ncccc1OC[C@@H](O)CO 34a_100000744052_100009815848 [0,2,0,0,0,0|1,0,0]=3 13234 B16R1.1332 COC(=O)c1ncccc1OC[C@@H](O)CO 7a_100000744052_100009815848 [0,2,0,0,0,0|1,0,0]=3 13235 B16R1.1332 COC(=O)c1ncccc1SCC(O)CO 62a_100011219619_100011935214 [0,2,0,0,0,0|1,1,0]=4 13236 B16R1.1332 COC(=O)c1ncccc1SCC(O)CO 62a_100011935214_100011219619 [0,2,0,0,0,0|1,1,0]=4 13237 B16R1.1332 COC(=O)c1ncccc1SC[C@@H](O)CO 62a_100009815848_100011935214 [0,2,0,0,0,0|1,1,0]=4 13238 B16R1.1332 COC(=O)c1ncccc1SC[C@@H](O)CO 62a_100011935214_100009815848 [0,2,0,0,0,0|1,1,0]=4 13239 B16R1.1332 CO[C@@H](C)c1ncccc1SCC(O)CO 62a_100011219619_106256553109 [0,2,0,0,0,0|1,1,0]=4 13240 B16R1.1332 CO[C@@H](C)c1ncccc1SCC(O)CO 62a_106256553109_100011219619 [0,2,0,0,0,0|1,1,0]=4 13241 B16R1.1332 CO[C@@H](C)c1ncccc1SC[C@@H](O)CO 62a_100009815848_106256553109 [0,2,0,0,0,0|1,1,0]=4 13242 B16R1.1332 CO[C@@H](C)c1ncccc1SC[C@@H](O)CO 62a_106256553109_100009815848 [0,2,0,0,0,0|1,1,0]=4 13243 B16R1.1332 C[C@@H](CO)COc1ccccc1C(=O)CBr 7a_100000188908_100000059175 [0,2,0,0,0,0|2,0,0]=4 13244 B16R1.1332 NCC(O)c1ccccc1SCC(O)CO 62a_100011219619_100011236429 [0,2,0,0,0,0|1,1,0]=4 13245 B16R1.1332 NCC(O)c1ccccc1SCC(O)CO 62a_100011236429_100011219619 [0,2,0,0,0,0|1,1,0]=4 13246 B16R1.1332 NCC(O)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100011236429 [0,2,0,0,0,0|1,1,0]=4 13247 B16R1.1332 NCC(O)c1ccccc1SC[C@@H](O)CO 62a_100011236429_100009815848 [0,2,0,0,0,0|1,1,0]=4 13248 B16R1.1332 NNC(=O)c1ccccc1OCC(O)CO 34a_100000186518_100011219619 [0,2,0,0,0,0|2,0,0]=4 13249 B16R1.1332 NNC(=O)c1ccccc1OC[C@@H](O)CO 34a_100000186518_100009815848 [0,2,0,0,0,0|2,0,0]=4 13250 B16R1.1332 N[C@H](CO)c1ccccc1SCC(O)CO 62a_100011219619_100161155918 [0,2,0,0,0,0|1,1,0]=4 13251 B16R1.1332 N[C@H](CO)c1ccccc1SCC(O)CO 62a_100161155918_100011219619 [0,2,0,0,0,0|1,1,0]=4 13252 B16R1.1332 N[C@H](CO)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100161155918 [0,2,0,0,0,0|1,1,0]=4 13253 B16R1.1332 N[C@H](CO)c1ccccc1SC[C@@H](O)CO 62a_100161155918_100009815848 [0,2,0,0,0,0|1,1,0]=4 13254 B16R1.1332 O=C(CBr)c1ccccc1OCC(O)CO 7a_100000188908_100011219619 [0,2,0,0,0,0|1,0,0]=3 13255 B16R1.1332 O=C(CBr)c1ccccc1OC[C@@H](O)CF 7a_100000188908_100015614560 [0,2,0,0,0,0|2,0,0]=4 13256 B16R1.1332 O=C(CBr)c1ccccc1OC[C@@H](O)CO 7a_100000188908_100009815848 [0,2,0,0,0,0|1,0,0]=3 13257 B16R1.1332 O=C(NO)c1ccccc1OCC(O)CO 34a_100000188472_100011219619 [0,2,0,0,0,0|2,0,0]=4 13258 B16R1.1332 O=C(NO)c1ccccc1OC[C@@H](O)CO 34a_100000188472_100009815848 [0,2,0,0,0,0|2,0,0]=4 13259 B16R1.1332 O=C(O[Na])c1ccccc1SCC(O)CO 62a_100011219619_114855342371 [0,2,0,0,0,0|1,1,0]=4 13260 B16R1.1332 O=C(O[Na])c1ccccc1SC[C@@H](O)CO 62a_100009815848_114855342371 [0,2,0,0,0,0|1,1,0]=4 13261 B16R1.4460 CCC(CC)COc1ccccc1COC 34a_100011488565_100011215472 [0,2,0,0,0,0|2,0,0]=4 13262 B16R1.4460 CCC(CC)COc1ccccc1COC 7a_100011488565_100011215472 [0,2,0,0,0,0|2,0,0]=4 13263 B16R1.4460 CCOc1ccccc1CNC(CO)CO 207a_100000759517_100000169843 [0,2,0,0,0,0|2,0,0]=4 13264 B16R1.4460 CCOc1ccccc1OCC(CC)CC 34a_100000211404_100011215472 [0,2,0,0,0,0|2,0,0]=4 13265 B16R1.4460 CCOc1ccccc1OCC(CC)CC 7a_100000211404_100011215472 [0,2,0,0,0,0|2,0,0]=4 13266 B16R1.4460 CCOc1ccccc1OCC(OC)OC 34a_100000211404_100000211822 [0,2,0,0,0,0|2,0,0]=4 13267 B16R1.4460 CCOc1ccccc1OCC(OC)OC 7a_100000211404_100000751394 [0,2,0,0,0,0|2,0,0]=4 13268 B16R1.4460 COCc1ccccc1OCC(OC)OC 34a_100011488565_100000211822 [0,2,0,0,0,0|2,0,0]=4 13269 B16R1.4460 COCc1ccccc1OCC(OC)OC 7a_100011488565_100000751394 [0,2,0,0,0,0|2,0,0]=4 13270 B16R1.9045 C=CC(O)COc1ccc(cc1COC)F 34a_100135391359_100000730141 [0,2,0,0,0,0|1,0,1]=4 13271 B16R1.9045 C=CC(O)COc1ccc(cc1COC)F 7a_100135391359_100000730141 [0,2,0,0,0,0|1,0,1]=4 13272 B16R1.9045 C=CC(O)COc1ccc(cc1OCC)C 34a_200000034294_100000730141 [0,2,0,0,0,0|1,0,1]=4 13273 B16R1.9045 C=CC(O)COc1ccc(cc1OCC)C 7a_200000034294_100000730141 [0,2,0,0,0,0|1,0,1]=4 13274 B16R1.9045 CCC(C)COc1ccc(cc1COC)F 34a_100135391359_100000748023 [0,2,0,0,0,0|2,0,0]=4 13275 B16R1.9045 CCC(C)COc1ccc(cc1COC)F 7a_100135391359_100000748023 [0,2,0,0,0,0|2,0,0]=4 13276 B16R1.9045 CCC(O)COc1ccc(cc1CNC)Br 34a_100011602694_100011218378 [0,2,0,0,0,0|2,0,0]=4 13277 B16R1.9045 CCC(O)COc1ccc(cc1CNC)Cl 34a_100000712467_100011218378 [0,2,0,0,0,0|2,0,0]=4 13278 B16R1.9045 CCC(O)COc1ccc(cc1CNC)F 34a_114855342409_100011218378 [0,2,0,0,0,0|2,0,0]=4 13279 B16R1.9045 CCC(O)COc1ccc(cc1COC)F 34a_100135391359_100011218378 [0,2,0,0,0,0|1,0,0]=3 13280 B16R1.9045 CCC(O)COc1ccc(cc1COC)F 7a_100135391359_100011218378 [0,2,0,0,0,0|1,0,0]=3 13281 B16R1.9045 CCOc1cc(ccc1NCC(O)CC)Br 2230a_100000688918_100011218378 [0,2,0,0,0,0|2,0,0]=4 13282 B16R1.9045 CCOc1cc(ccc1NCC(O)CC)Br 34a_100000688918_100011218378 [0,2,0,0,0,0|2,0,0]=4 13283 B16R1.9045 CCOc1cc(ccc1NCC(O)CC)C 2230a_100000742043_100011218378 [0,2,0,0,0,0|2,0,0]=4 13284 B16R1.9045 CCOc1cc(ccc1NCC(O)CC)C 34a_100000742043_100011218378 [0,2,0,0,0,0|2,0,0]=4 13285 B16R1.9045 CCOc1cc(ccc1NCC(O)CC)Cl 34a_100000687649_100011218378 [0,2,0,0,0,0|2,0,0]=4 13286 B16R1.9045 CCOc1cc(ccc1NCC(O)CC)F 2230a_100000741351_100011218378 [0,2,0,0,0,0|2,0,0]=4 13287 B16R1.9045 CCOc1cc(ccc1NCC(O)CC)F 34a_100000741351_100011218378 [0,2,0,0,0,0|2,0,0]=4 13288 B16R1.9045 CCOc1cc(ccc1NCC(O)CO)Br 2230a_100000688918_100011219619 [0,2,0,0,0,0|1,0,0]=3 13289 B16R1.9045 CCOc1cc(ccc1NCC(O)CO)Br 34a_100000688918_100011219619 [0,2,0,0,0,0|1,0,0]=3 13290 B16R1.9045 CCOc1cc(ccc1NCC(O)CO)C 2230a_100000742043_100011219619 [0,2,0,0,0,0|1,0,0]=3 13291 B16R1.9045 CCOc1cc(ccc1NCC(O)CO)C 34a_100000742043_100011219619 [0,2,0,0,0,0|1,0,0]=3 13292 B16R1.9045 CCOc1cc(ccc1NCC(O)CO)Cl 34a_100000687649_100011219619 [0,2,0,0,0,0|1,0,0]=3 13293 B16R1.9045 CCOc1cc(ccc1NCC(O)CO)F 2230a_100000741351_100011219619 [0,2,0,0,0,0|1,0,0]=3 13294 B16R1.9045 CCOc1cc(ccc1NCC(O)CO)F 34a_100000741351_100011219619 [0,2,0,0,0,0|1,0,0]=3 13295 B16R1.9045 CCOc1cc(ccc1NC[C@@H](C)CO)Br 2230a_100000688918_100000059175 [0,2,0,0,0,0|2,0,0]=4 13296 B16R1.9045 CCOc1cc(ccc1NC[C@@H](C)CO)Br 34a_100000688918_100000059175 [0,2,0,0,0,0|2,0,0]=4 13297 B16R1.9045 CCOc1cc(ccc1NC[C@@H](C)CO)C 2230a_100000742043_100000059175 [0,2,0,0,0,0|2,0,0]=4 13298 B16R1.9045 CCOc1cc(ccc1NC[C@@H](C)CO)C 34a_100000742043_100000059175 [0,2,0,0,0,0|2,0,0]=4 13299 B16R1.9045 CCOc1cc(ccc1NC[C@@H](C)CO)Cl 34a_100000687649_100000059175 [0,2,0,0,0,0|2,0,0]=4 13300 B16R1.9045 CCOc1cc(ccc1NC[C@@H](C)CO)F 2230a_100000741351_100000059175 [0,2,0,0,0,0|2,0,0]=4 13301 B16R1.9045 CCOc1cc(ccc1NC[C@@H](C)CO)F 34a_100000741351_100000059175 [0,2,0,0,0,0|2,0,0]=4 13302 B16R1.9045 CCOc1cc(ccc1NC[C@@H](O)CF)Br 2230a_100000688918_100015614560 [0,2,0,0,0,0|2,0,0]=4 13303 B16R1.9045 CCOc1cc(ccc1NC[C@@H](O)CF)Br 34a_100000688918_100015614560 [0,2,0,0,0,0|2,0,0]=4 13304 B16R1.9045 CCOc1cc(ccc1NC[C@@H](O)CF)C 2230a_100000742043_100015614560 [0,2,0,0,0,0|2,0,0]=4 13305 B16R1.9045 CCOc1cc(ccc1NC[C@@H](O)CF)C 34a_100000742043_100015614560 [0,2,0,0,0,0|2,0,0]=4 13306 B16R1.9045 CCOc1cc(ccc1NC[C@@H](O)CF)Cl 34a_100000687649_100015614560 [0,2,0,0,0,0|2,0,0]=4 13307 B16R1.9045 CCOc1cc(ccc1NC[C@@H](O)CF)F 2230a_100000741351_100015614560 [0,2,0,0,0,0|2,0,0]=4 13308 B16R1.9045 CCOc1cc(ccc1NC[C@@H](O)CF)F 34a_100000741351_100015614560 [0,2,0,0,0,0|2,0,0]=4 13309 B16R1.9045 CCOc1cc(ccc1NC[C@@H](O)CO)Br 2230a_100000688918_100009815848 [0,2,0,0,0,0|1,0,0]=3 13310 B16R1.9045 CCOc1cc(ccc1NC[C@@H](O)CO)Br 34a_100000688918_100009815848 [0,2,0,0,0,0|1,0,0]=3 13311 B16R1.9045 CCOc1cc(ccc1NC[C@@H](O)CO)C 2230a_100000742043_100009815848 [0,2,0,0,0,0|1,0,0]=3 13312 B16R1.9045 CCOc1cc(ccc1NC[C@@H](O)CO)C 34a_100000742043_100009815848 [0,2,0,0,0,0|1,0,0]=3 13313 B16R1.9045 CCOc1cc(ccc1NC[C@@H](O)CO)Cl 34a_100000687649_100009815848 [0,2,0,0,0,0|1,0,0]=3 13314 B16R1.9045 CCOc1cc(ccc1NC[C@@H](O)CO)F 2230a_100000741351_100009815848 [0,2,0,0,0,0|1,0,0]=3 13315 B16R1.9045 CCOc1cc(ccc1NC[C@@H](O)CO)F 34a_100000741351_100009815848 [0,2,0,0,0,0|1,0,0]=3 13316 B16R1.9045 CCOc1cc(ccc1OCC(C)CC)C 34a_200000034294_100000748023 [0,2,0,0,0,0|2,0,0]=4 13317 B16R1.9045 CCOc1cc(ccc1OCC(C)CC)C 7a_200000034294_100000748023 [0,2,0,0,0,0|2,0,0]=4 13318 B16R1.9045 CCOc1cc(ccc1OCC(O)CC)C 34a_200000034294_100011218378 [0,2,0,0,0,0|1,0,0]=3 13319 B16R1.9045 CCOc1cc(ccc1OCC(O)CC)C 7a_200000034294_100011218378 [0,2,0,0,0,0|1,0,0]=3 13320 B16R1.9045 CCOc1cc(ccc1OCC(O)CO)C 34a_200000034294_100011219619 [0,2,0,0,0,0|0,0,0]=2 13321 B16R1.9045 CCOc1cc(ccc1OCC(O)CO)C 7a_200000034294_100011219619 [0,2,0,0,0,0|0,0,0]=2 13322 B16R1.9045 CCOc1cc(ccc1OC[C@@H](C)CC)C 34a_200000034294_100009816398 [0,2,0,0,0,0|2,0,0]=4 13323 B16R1.9045 CCOc1cc(ccc1OC[C@@H](C)CC)C 7a_200000034294_100009816398 [0,2,0,0,0,0|2,0,0]=4 13324 B16R1.9045 CCOc1cc(ccc1OC[C@@H](C)CO)C 34a_200000034294_100000059175 [0,2,0,0,0,0|1,0,0]=3 13325 B16R1.9045 CCOc1cc(ccc1OC[C@@H](C)CO)C 7a_200000034294_100000059175 [0,2,0,0,0,0|1,0,0]=3 13326 B16R1.9045 CCOc1cc(ccc1OC[C@@H](O)CF)C 34a_200000034294_100015614560 [0,2,0,0,0,0|1,0,0]=3 13327 B16R1.9045 CCOc1cc(ccc1OC[C@@H](O)CF)C 7a_200000034294_100015614560 [0,2,0,0,0,0|1,0,0]=3 13328 B16R1.9045 CCOc1cc(ccc1OC[C@@H](O)CO)C 34a_200000034294_100009815848 [0,2,0,0,0,0|0,0,0]=2 13329 B16R1.9045 CCOc1cc(ccc1OC[C@@H](O)CO)C 7a_200000034294_100009815848 [0,2,0,0,0,0|0,0,0]=2 13330 B16R1.9045 CCOc1cc(ccc1SCC(O)CC)C 62a_100011218378_200010713166 [0,2,0,0,0,0|1,1,0]=4 13331 B16R1.9045 CCOc1cc(ccc1SCC(O)CC)C 62a_200010713166_100011218378 [0,2,0,0,0,0|1,1,0]=4 13332 B16R1.9045 CCOc1cc(ccc1SCC(O)CC)F 62a_100011218378_200012340411 [0,2,0,0,0,0|1,1,0]=4 13333 B16R1.9045 CCOc1cc(ccc1SCC(O)CC)F 62a_200012340411_100011218378 [0,2,0,0,0,0|1,1,0]=4 13334 B16R1.9045 CCOc1cc(ccc1SCC(O)CC)N 62a_100011218378_200016990551 [0,2,0,0,0,0|1,1,0]=4 13335 B16R1.9045 CCOc1cc(ccc1SCC(O)CC)N 62a_200016990551_100011218378 [0,2,0,0,0,0|1,1,0]=4 13336 B16R1.9045 CCOc1cc(ccc1SCC(O)CO)C 62a_100011219619_200010713166 [0,2,0,0,0,0|0,1,0]=3 13337 B16R1.9045 CCOc1cc(ccc1SCC(O)CO)C 62a_200010713166_100011219619 [0,2,0,0,0,0|0,1,0]=3 13338 B16R1.9045 CCOc1cc(ccc1SCC(O)CO)F 62a_100011219619_200012340411 [0,2,0,0,0,0|0,1,0]=3 13339 B16R1.9045 CCOc1cc(ccc1SCC(O)CO)F 62a_200012340411_100011219619 [0,2,0,0,0,0|0,1,0]=3 13340 B16R1.9045 CCOc1cc(ccc1SCC(O)CO)N 62a_100011219619_200016990551 [0,2,0,0,0,0|0,1,0]=3 13341 B16R1.9045 CCOc1cc(ccc1SCC(O)CO)N 62a_200016990551_100011219619 [0,2,0,0,0,0|0,1,0]=3 13342 B16R1.9045 CCOc1cc(ccc1SC[C@@H](C)CO)C 62a_100000059175_200010713166 [0,2,0,0,0,0|1,1,0]=4 13343 B16R1.9045 CCOc1cc(ccc1SC[C@@H](C)CO)C 62a_200010713166_100000059175 [0,2,0,0,0,0|1,1,0]=4 13344 B16R1.9045 CCOc1cc(ccc1SC[C@@H](C)CO)F 62a_100000059175_200012340411 [0,2,0,0,0,0|1,1,0]=4 13345 B16R1.9045 CCOc1cc(ccc1SC[C@@H](C)CO)F 62a_200012340411_100000059175 [0,2,0,0,0,0|1,1,0]=4 13346 B16R1.9045 CCOc1cc(ccc1SC[C@@H](C)CO)N 62a_100000059175_200016990551 [0,2,0,0,0,0|1,1,0]=4 13347 B16R1.9045 CCOc1cc(ccc1SC[C@@H](C)CO)N 62a_200016990551_100000059175 [0,2,0,0,0,0|1,1,0]=4 13348 B16R1.9045 CCOc1cc(ccc1SC[C@@H](O)CF)C 62a_100015614560_200010713166 [0,2,0,0,0,0|1,1,0]=4 13349 B16R1.9045 CCOc1cc(ccc1SC[C@@H](O)CF)C 62a_200010713166_100015614560 [0,2,0,0,0,0|1,1,0]=4 13350 B16R1.9045 CCOc1cc(ccc1SC[C@@H](O)CF)F 62a_100015614560_200012340411 [0,2,0,0,0,0|1,1,0]=4 13351 B16R1.9045 CCOc1cc(ccc1SC[C@@H](O)CF)F 62a_200012340411_100015614560 [0,2,0,0,0,0|1,1,0]=4 13352 B16R1.9045 CCOc1cc(ccc1SC[C@@H](O)CF)N 62a_100015614560_200016990551 [0,2,0,0,0,0|1,1,0]=4 13353 B16R1.9045 CCOc1cc(ccc1SC[C@@H](O)CF)N 62a_200016990551_100015614560 [0,2,0,0,0,0|1,1,0]=4 13354 B16R1.9045 CCOc1cc(ccc1SC[C@@H](O)CO)C 62a_100009815848_200010713166 [0,2,0,0,0,0|0,1,0]=3 13355 B16R1.9045 CCOc1cc(ccc1SC[C@@H](O)CO)C 62a_200010713166_100009815848 [0,2,0,0,0,0|0,1,0]=3 13356 B16R1.9045 CCOc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_200012340411 [0,2,0,0,0,0|0,1,0]=3 13357 B16R1.9045 CCOc1cc(ccc1SC[C@@H](O)CO)F 62a_200012340411_100009815848 [0,2,0,0,0,0|0,1,0]=3 13358 B16R1.9045 CCOc1cc(ccc1SC[C@@H](O)CO)N 62a_100009815848_200016990551 [0,2,0,0,0,0|0,1,0]=3 13359 B16R1.9045 CCOc1cc(ccc1SC[C@@H](O)CO)N 62a_200016990551_100009815848 [0,2,0,0,0,0|0,1,0]=3 13360 B16R1.9045 CC[C@H](C)COc1ccc(cc1COC)F 34a_100135391359_100009816398 [0,2,0,0,0,0|2,0,0]=4 13361 B16R1.9045 CC[C@H](C)COc1ccc(cc1COC)F 7a_100135391359_100009816398 [0,2,0,0,0,0|2,0,0]=4 13362 B16R1.9045 CNCc1cc(ccc1OCC(O)CO)Br 34a_100011602694_100011219619 [0,2,0,0,0,0|1,0,0]=3 13363 B16R1.9045 CNCc1cc(ccc1OCC(O)CO)Cl 34a_100000712467_100011219619 [0,2,0,0,0,0|1,0,0]=3 13364 B16R1.9045 CNCc1cc(ccc1OCC(O)CO)F 34a_114855342409_100011219619 [0,2,0,0,0,0|1,0,0]=3 13365 B16R1.9045 CNCc1cc(ccc1OC[C@@H](C)CO)Br 34a_100011602694_100000059175 [0,2,0,0,0,0|2,0,0]=4 13366 B16R1.9045 CNCc1cc(ccc1OC[C@@H](C)CO)Cl 34a_100000712467_100000059175 [0,2,0,0,0,0|2,0,0]=4 13367 B16R1.9045 CNCc1cc(ccc1OC[C@@H](C)CO)F 34a_114855342409_100000059175 [0,2,0,0,0,0|2,0,0]=4 13368 B16R1.9045 CNCc1cc(ccc1OC[C@@H](O)CF)Br 34a_100011602694_100015614560 [0,2,0,0,0,0|2,0,0]=4 13369 B16R1.9045 CNCc1cc(ccc1OC[C@@H](O)CF)Cl 34a_100000712467_100015614560 [0,2,0,0,0,0|2,0,0]=4 13370 B16R1.9045 CNCc1cc(ccc1OC[C@@H](O)CF)F 34a_114855342409_100015614560 [0,2,0,0,0,0|2,0,0]=4 13371 B16R1.9045 CNCc1cc(ccc1OC[C@@H](O)CO)Br 34a_100011602694_100009815848 [0,2,0,0,0,0|1,0,0]=3 13372 B16R1.9045 CNCc1cc(ccc1OC[C@@H](O)CO)Cl 34a_100000712467_100009815848 [0,2,0,0,0,0|1,0,0]=3 13373 B16R1.9045 CNCc1cc(ccc1OC[C@@H](O)CO)F 34a_114855342409_100009815848 [0,2,0,0,0,0|1,0,0]=3 13374 B16R1.9045 COCc1cc(ccc1OCC(O)CO)F 34a_100135391359_100011219619 [0,2,0,0,0,0|0,0,0]=2 13375 B16R1.9045 COCc1cc(ccc1OCC(O)CO)F 7a_100135391359_100011219619 [0,2,0,0,0,0|0,0,0]=2 13376 B16R1.9045 COCc1cc(ccc1OC[C@@H](C)CO)F 34a_100135391359_100000059175 [0,2,0,0,0,0|1,0,0]=3 13377 B16R1.9045 COCc1cc(ccc1OC[C@@H](C)CO)F 7a_100135391359_100000059175 [0,2,0,0,0,0|1,0,0]=3 13378 B16R1.9045 COCc1cc(ccc1OC[C@@H](O)CF)F 34a_100135391359_100015614560 [0,2,0,0,0,0|1,0,0]=3 13379 B16R1.9045 COCc1cc(ccc1OC[C@@H](O)CF)F 7a_100135391359_100015614560 [0,2,0,0,0,0|1,0,0]=3 13380 B16R1.9045 COCc1cc(ccc1OC[C@@H](O)CO)F 34a_100135391359_100009815848 [0,2,0,0,0,0|0,0,0]=2 13381 B16R1.9045 COCc1cc(ccc1OC[C@@H](O)CO)F 7a_100135391359_100009815848 [0,2,0,0,0,0|0,0,0]=2 13382 B16R1.9373 CCC(O)CNc1cc(ccc1COC)Br 34a_100013084866_100011218378 [0,2,0,0,0,0|2,0,0]=4 13383 B16R1.9373 CCC(O)CNc1cc(ccc1COC)Br 7a_100013084866_100011218378 [0,2,0,0,0,0|2,0,0]=4 13384 B16R1.9373 CCOc1ccc(cc1NCC(O)CC)Br 2230a_100000751366_100011218378 [0,2,0,0,0,0|2,0,0]=4 13385 B16R1.9373 CCOc1ccc(cc1NCC(O)CC)Br 34a_100000751366_100011218378 [0,2,0,0,0,0|2,0,0]=4 13386 B16R1.9373 CCOc1ccc(cc1NCC(O)CC)C 2230a_100011202655_100011218378 [0,2,0,0,0,0|2,0,0]=4 13387 B16R1.9373 CCOc1ccc(cc1NCC(O)CC)C 34a_100011202655_100011218378 [0,2,0,0,0,0|2,0,0]=4 13388 B16R1.9373 CCOc1ccc(cc1NCC(O)CC)Cl 2230a_100000742605_100011218378 [0,2,0,0,0,0|2,0,0]=4 13389 B16R1.9373 CCOc1ccc(cc1NCC(O)CC)Cl 34a_100000742605_100011218378 [0,2,0,0,0,0|2,0,0]=4 13390 B16R1.9373 CCOc1ccc(cc1NCC(O)CO)Br 2230a_100000751366_100011219619 [0,2,0,0,0,0|1,0,0]=3 13391 B16R1.9373 CCOc1ccc(cc1NCC(O)CO)Br 34a_100000751366_100011219619 [0,2,0,0,0,0|1,0,0]=3 13392 B16R1.9373 CCOc1ccc(cc1NCC(O)CO)C 2230a_100011202655_100011219619 [0,2,0,0,0,0|1,0,0]=3 13393 B16R1.9373 CCOc1ccc(cc1NCC(O)CO)C 34a_100011202655_100011219619 [0,2,0,0,0,0|1,0,0]=3 13394 B16R1.9373 CCOc1ccc(cc1NCC(O)CO)Cl 2230a_100000742605_100011219619 [0,2,0,0,0,0|1,0,0]=3 13395 B16R1.9373 CCOc1ccc(cc1NCC(O)CO)Cl 34a_100000742605_100011219619 [0,2,0,0,0,0|1,0,0]=3 13396 B16R1.9373 CCOc1ccc(cc1NC[C@@H](C)CO)Br 2230a_100000751366_100000059175 [0,2,0,0,0,0|2,0,0]=4 13397 B16R1.9373 CCOc1ccc(cc1NC[C@@H](C)CO)Br 34a_100000751366_100000059175 [0,2,0,0,0,0|2,0,0]=4 13398 B16R1.9373 CCOc1ccc(cc1NC[C@@H](C)CO)C 2230a_100011202655_100000059175 [0,2,0,0,0,0|2,0,0]=4 13399 B16R1.9373 CCOc1ccc(cc1NC[C@@H](C)CO)C 34a_100011202655_100000059175 [0,2,0,0,0,0|2,0,0]=4 13400 B16R1.9373 CCOc1ccc(cc1NC[C@@H](C)CO)Cl 2230a_100000742605_100000059175 [0,2,0,0,0,0|2,0,0]=4 13401 B16R1.9373 CCOc1ccc(cc1NC[C@@H](C)CO)Cl 34a_100000742605_100000059175 [0,2,0,0,0,0|2,0,0]=4 13402 B16R1.9373 CCOc1ccc(cc1NC[C@@H](O)CF)Br 2230a_100000751366_100015614560 [0,2,0,0,0,0|2,0,0]=4 13403 B16R1.9373 CCOc1ccc(cc1NC[C@@H](O)CF)Br 34a_100000751366_100015614560 [0,2,0,0,0,0|2,0,0]=4 13404 B16R1.9373 CCOc1ccc(cc1NC[C@@H](O)CF)C 2230a_100011202655_100015614560 [0,2,0,0,0,0|2,0,0]=4 13405 B16R1.9373 CCOc1ccc(cc1NC[C@@H](O)CF)C 34a_100011202655_100015614560 [0,2,0,0,0,0|2,0,0]=4 13406 B16R1.9373 CCOc1ccc(cc1NC[C@@H](O)CF)Cl 2230a_100000742605_100015614560 [0,2,0,0,0,0|2,0,0]=4 13407 B16R1.9373 CCOc1ccc(cc1NC[C@@H](O)CF)Cl 34a_100000742605_100015614560 [0,2,0,0,0,0|2,0,0]=4 13408 B16R1.9373 CCOc1ccc(cc1NC[C@@H](O)CO)Br 2230a_100000751366_100009815848 [0,2,0,0,0,0|1,0,0]=3 13409 B16R1.9373 CCOc1ccc(cc1NC[C@@H](O)CO)Br 34a_100000751366_100009815848 [0,2,0,0,0,0|1,0,0]=3 13410 B16R1.9373 CCOc1ccc(cc1NC[C@@H](O)CO)C 2230a_100011202655_100009815848 [0,2,0,0,0,0|1,0,0]=3 13411 B16R1.9373 CCOc1ccc(cc1NC[C@@H](O)CO)C 34a_100011202655_100009815848 [0,2,0,0,0,0|1,0,0]=3 13412 B16R1.9373 CCOc1ccc(cc1NC[C@@H](O)CO)Cl 2230a_100000742605_100009815848 [0,2,0,0,0,0|1,0,0]=3 13413 B16R1.9373 CCOc1ccc(cc1NC[C@@H](O)CO)Cl 34a_100000742605_100009815848 [0,2,0,0,0,0|1,0,0]=3 13414 B16R1.9373 CCOc1ccc(cc1SCC(O)CC)C 62a_100011218378_200000230997 [0,2,0,0,0,0|1,1,0]=4 13415 B16R1.9373 CCOc1ccc(cc1SCC(O)CC)C 62a_200000230997_100011218378 [0,2,0,0,0,0|1,1,0]=4 13416 B16R1.9373 CCOc1ccc(cc1SCC(O)CC)F 62a_100000171695_100011218378 [0,2,0,0,0,0|1,1,0]=4 13417 B16R1.9373 CCOc1ccc(cc1SCC(O)CC)F 62a_100011218378_100000171695 [0,2,0,0,0,0|1,1,0]=4 13418 B16R1.9373 CCOc1ccc(cc1SCC(O)CO)C 62a_100011219619_200000230997 [0,2,0,0,0,0|0,1,0]=3 13419 B16R1.9373 CCOc1ccc(cc1SCC(O)CO)C 62a_200000230997_100011219619 [0,2,0,0,0,0|0,1,0]=3 13420 B16R1.9373 CCOc1ccc(cc1SCC(O)CO)F 62a_100000171695_100011219619 [0,2,0,0,0,0|0,1,0]=3 13421 B16R1.9373 CCOc1ccc(cc1SCC(O)CO)F 62a_100011219619_100000171695 [0,2,0,0,0,0|0,1,0]=3 13422 B16R1.9373 CCOc1ccc(cc1SC[C@@H](C)CO)C 62a_100000059175_200000230997 [0,2,0,0,0,0|1,1,0]=4 13423 B16R1.9373 CCOc1ccc(cc1SC[C@@H](C)CO)C 62a_200000230997_100000059175 [0,2,0,0,0,0|1,1,0]=4 13424 B16R1.9373 CCOc1ccc(cc1SC[C@@H](C)CO)F 62a_100000059175_100000171695 [0,2,0,0,0,0|1,1,0]=4 13425 B16R1.9373 CCOc1ccc(cc1SC[C@@H](C)CO)F 62a_100000171695_100000059175 [0,2,0,0,0,0|1,1,0]=4 13426 B16R1.9373 CCOc1ccc(cc1SC[C@@H](O)CF)C 62a_100015614560_200000230997 [0,2,0,0,0,0|1,1,0]=4 13427 B16R1.9373 CCOc1ccc(cc1SC[C@@H](O)CF)C 62a_200000230997_100015614560 [0,2,0,0,0,0|1,1,0]=4 13428 B16R1.9373 CCOc1ccc(cc1SC[C@@H](O)CF)F 62a_100000171695_100015614560 [0,2,0,0,0,0|1,1,0]=4 13429 B16R1.9373 CCOc1ccc(cc1SC[C@@H](O)CF)F 62a_100015614560_100000171695 [0,2,0,0,0,0|1,1,0]=4 13430 B16R1.9373 CCOc1ccc(cc1SC[C@@H](O)CO)C 62a_100009815848_200000230997 [0,2,0,0,0,0|0,1,0]=3 13431 B16R1.9373 CCOc1ccc(cc1SC[C@@H](O)CO)C 62a_200000230997_100009815848 [0,2,0,0,0,0|0,1,0]=3 13432 B16R1.9373 CCOc1ccc(cc1SC[C@@H](O)CO)F 62a_100000171695_100009815848 [0,2,0,0,0,0|0,1,0]=3 13433 B16R1.9373 CCOc1ccc(cc1SC[C@@H](O)CO)F 62a_100009815848_100000171695 [0,2,0,0,0,0|0,1,0]=3 13434 B16R1.9373 CCOc1ncc(cc1SCC(O)CO)Br 62a_100011219619_200010177599 [0,2,0,0,0,0|1,1,0]=4 13435 B16R1.9373 CCOc1ncc(cc1SCC(O)CO)Br 62a_200010177599_100011219619 [0,2,0,0,0,0|1,1,0]=4 13436 B16R1.9373 CCOc1ncc(cc1SC[C@@H](O)CO)Br 62a_100009815848_200010177599 [0,2,0,0,0,0|1,1,0]=4 13437 B16R1.9373 CCOc1ncc(cc1SC[C@@H](O)CO)Br 62a_200010177599_100009815848 [0,2,0,0,0,0|1,1,0]=4 13438 B16R1.9373 CCSc1ccc(cc1NCC(O)CO)Cl 34a_100000752208_100011219619 [0,2,0,0,0,0|1,1,0]=4 13439 B16R1.9373 CCSc1ccc(cc1NC[C@@H](O)CO)Cl 34a_100000752208_100009815848 [0,2,0,0,0,0|1,1,0]=4 13440 B16R1.9373 CNCc1ccc(cc1SCC(O)CO)F 62a_100011219619_200011192132 [0,2,0,0,0,0|1,1,0]=4 13441 B16R1.9373 CNCc1ccc(cc1SCC(O)CO)F 62a_200011192132_100011219619 [0,2,0,0,0,0|1,1,0]=4 13442 B16R1.9373 CNCc1ccc(cc1SC[C@@H](O)CO)F 62a_100009815848_200011192132 [0,2,0,0,0,0|1,1,0]=4 13443 B16R1.9373 CNCc1ccc(cc1SC[C@@H](O)CO)F 62a_200011192132_100009815848 [0,2,0,0,0,0|1,1,0]=4 13444 B16R1.9373 COCc1ccc(cc1NCC(O)CO)Br 34a_100013084866_100011219619 [0,2,0,0,0,0|1,0,0]=3 13445 B16R1.9373 COCc1ccc(cc1NCC(O)CO)Br 7a_100013084866_100011219619 [0,2,0,0,0,0|1,0,0]=3 13446 B16R1.9373 COCc1ccc(cc1NC[C@@H](C)CO)Br 34a_100013084866_100000059175 [0,2,0,0,0,0|2,0,0]=4 13447 B16R1.9373 COCc1ccc(cc1NC[C@@H](C)CO)Br 7a_100013084866_100000059175 [0,2,0,0,0,0|2,0,0]=4 13448 B16R1.9373 COCc1ccc(cc1NC[C@@H](O)CF)Br 34a_100013084866_100015614560 [0,2,0,0,0,0|2,0,0]=4 13449 B16R1.9373 COCc1ccc(cc1NC[C@@H](O)CF)Br 7a_100013084866_100015614560 [0,2,0,0,0,0|2,0,0]=4 13450 B16R1.9373 COCc1ccc(cc1NC[C@@H](O)CO)Br 34a_100013084866_100009815848 [0,2,0,0,0,0|1,0,0]=3 13451 B16R1.9373 COCc1ccc(cc1NC[C@@H](O)CO)Br 7a_100013084866_100009815848 [0,2,0,0,0,0|1,0,0]=3 13452 B16R1.10202 C=CCc1cccc(c1OCC(O)CO)C 34a_200011218211_100011219619 [0,2,0,0,0,0|1,0,1]=4 13453 B16R1.10202 C=CCc1cccc(c1OCC(O)CO)C 7a_200011218211_100011219619 [0,2,0,0,0,0|1,0,1]=4 13454 B16R1.10202 C=CCc1cccc(c1OC[C@@H](O)CO)C 34a_200011218211_100009815848 [0,2,0,0,0,0|1,0,1]=4 13455 B16R1.10202 C=CCc1cccc(c1OC[C@@H](O)CO)C 7a_200011218211_100009815848 [0,2,0,0,0,0|1,0,1]=4 13456 B16R1.10202 CCOc1cccc(c1NCC(O)CC)Br 34a_200103155331_100011218378 [0,2,0,0,0,0|2,0,0]=4 13457 B16R1.10202 CCOc1cccc(c1NCC(O)CC)Cl 34a_100012284057_100011218378 [0,2,0,0,0,0|2,0,0]=4 13458 B16R1.10202 CCOc1cccc(c1NCC(O)CO)Br 34a_200103155331_100011219619 [0,2,0,0,0,0|1,0,0]=3 13459 B16R1.10202 CCOc1cccc(c1NCC(O)CO)Cl 34a_100012284057_100011219619 [0,2,0,0,0,0|1,0,0]=3 13460 B16R1.10202 CCOc1cccc(c1NC[C@@H](C)CO)Br 34a_200103155331_100000059175 [0,2,0,0,0,0|2,0,0]=4 13461 B16R1.10202 CCOc1cccc(c1NC[C@@H](C)CO)Cl 34a_100012284057_100000059175 [0,2,0,0,0,0|2,0,0]=4 13462 B16R1.10202 CCOc1cccc(c1NC[C@@H](O)CF)Br 34a_200103155331_100015614560 [0,2,0,0,0,0|2,0,0]=4 13463 B16R1.10202 CCOc1cccc(c1NC[C@@H](O)CF)Cl 34a_100012284057_100015614560 [0,2,0,0,0,0|2,0,0]=4 13464 B16R1.10202 CCOc1cccc(c1NC[C@@H](O)CO)Br 34a_200103155331_100009815848 [0,2,0,0,0,0|1,0,0]=3 13465 B16R1.10202 CCOc1cccc(c1NC[C@@H](O)CO)Cl 34a_100012284057_100009815848 [0,2,0,0,0,0|1,0,0]=3 13466 B16R1.13411 CCC(O)CC(=O)c1ccccc1COC 1458a_100000737999_100011218378 [0,2,0,0,0,0|2,0,0]=4 13467 B16R1.13411 CCOc1ccccc1C(=O)CC(O)CC 1458a_100000211144_100011218378 [0,2,0,0,0,0|2,0,0]=4 13468 B16R1.13411 CCOc1ccccc1C(=O)C[C@@H](C)CO 1458a_100000211144_100000059175 [0,2,0,0,0,0|2,0,0]=4 13469 B16R1.13411 COCc1ccccc1C(=O)C[C@@H](C)CO 1458a_100000737999_100000059175 [0,2,0,0,0,0|2,0,0]=4 13470 B16R1.13419 C/C=C/c1ccccc1OCC(C)(C)CO 34a_200000189419_100009813988 [0,2,0,0,0,0|2,0,0]=4 13471 B16R1.13419 C/C=C/c1ccccc1OCC(C)(C)CO 7a_200000189419_100009813988 [0,2,0,0,0,0|2,0,0]=4 13472 B16R1.13419 CC(C)(CO)COc1ccccc1CCBr 34a_100000722297_100009813988 [0,2,0,0,0,0|2,0,0]=4 13473 B16R1.13419 CC(C)(CO)COc1ccccc1CCBr 7a_100000722297_100009813988 [0,2,0,0,0,0|2,0,0]=4 13474 B16R1.13419 CC(C)(CO)COc1ccccc1CCN 34a_100011207237_100009813988 [0,2,0,0,0,0|2,0,0]=4 13475 B16R1.13419 CC(C)(CO)COc1ccccc1CCO 34a_100000719421_100009813988 [0,2,0,0,0,0|2,0,0]=4 13476 B16R1.13419 CC(C)(CO)COc1ccccc1CCO 7a_100000719421_100009813988 [0,2,0,0,0,0|2,0,0]=4 13477 B16R1.13419 CCCc1ccccc1OCC(C)(C)CO 34a_100011217252_100009813988 [0,2,0,0,0,0|2,0,0]=4 13478 B16R1.13419 CCCc1ccccc1OCC(C)(C)CO 7a_100011217252_100009813988 [0,2,0,0,0,0|2,0,0]=4 13479 B16R1.13419 CCNc1ccccc1OCC(C)(C)CO 34a_103624766699_100009813988 [0,2,0,0,0,0|2,0,0]=4 13480 B16R1.13419 CCNc1ccccc1OCC(C)(C)CO 7a_103624766699_100009813988 [0,2,0,0,0,0|2,0,0]=4 13481 B16R1.13419 CCOc1ccccc1NCC(C)(C)CO 34a_100000211218_100009813988 [0,2,0,0,0,0|2,0,0]=4 13482 B16R1.13419 CCOc1ccccc1OCC(C)(C)CO 34a_100000211404_100009813988 [0,2,0,0,0,0|1,0,0]=3 13483 B16R1.13419 CCOc1ccccc1OCC(C)(C)CO 7a_100000211404_100009813988 [0,2,0,0,0,0|1,0,0]=3 13484 B16R1.13419 CCOc1ccccc1SCC(C)(C)CO 62a_100000230754_100009813988 [0,2,0,0,0,0|1,1,0]=4 13485 B16R1.13419 CCOc1ccccc1SCC(C)(C)CO 62a_100009813988_100000230754 [0,2,0,0,0,0|1,1,0]=4 13486 B16R1.13419 CCOc1ncccc1OCC(C)(C)CO 34a_100011998697_100009813988 [0,2,0,0,0,0|2,0,0]=4 13487 B16R1.13419 CNCc1ccccc1OCC(C)(C)CO 34a_100015189988_100009813988 [0,2,0,0,0,0|2,0,0]=4 13488 B16R1.13419 COCc1ccccc1OCC(C)(C)CO 34a_100011488565_100009813988 [0,2,0,0,0,0|1,0,0]=3 13489 B16R1.13419 COCc1ccccc1OCC(C)(C)CO 7a_100011488565_100009813988 [0,2,0,0,0,0|1,0,0]=3 13490 B16R1.13419 COCc1ccccc1SCC(C)(C)CO 62a_100009813988_100011493684 [0,2,0,0,0,0|1,1,0]=4 13491 B16R1.13419 COCc1ccccc1SCC(C)(C)CO 62a_100011493684_100009813988 [0,2,0,0,0,0|1,1,0]=4 13492 B16R1.46654 CCOc1c(cccc1NCC(O)CC)Cl 2230a_100000744310_100011218378 [0,2,0,0,0,0|2,0,0]=4 13493 B16R1.46654 CCOc1c(cccc1NCC(O)CC)Cl 34a_100000744310_100011218378 [0,2,0,0,0,0|2,0,0]=4 13494 B16R1.46654 CCOc1c(cccc1NCC(O)CO)Cl 2230a_100000744310_100011219619 [0,2,0,0,0,0|1,0,0]=3 13495 B16R1.46654 CCOc1c(cccc1NCC(O)CO)Cl 34a_100000744310_100011219619 [0,2,0,0,0,0|1,0,0]=3 13496 B16R1.46654 CCOc1c(cccc1NC[C@@H](C)CO)Cl 2230a_100000744310_100000059175 [0,2,0,0,0,0|2,0,0]=4 13497 B16R1.46654 CCOc1c(cccc1NC[C@@H](C)CO)Cl 34a_100000744310_100000059175 [0,2,0,0,0,0|2,0,0]=4 13498 B16R1.46654 CCOc1c(cccc1NC[C@@H](O)CF)Cl 2230a_100000744310_100015614560 [0,2,0,0,0,0|2,0,0]=4 13499 B16R1.46654 CCOc1c(cccc1NC[C@@H](O)CF)Cl 34a_100000744310_100015614560 [0,2,0,0,0,0|2,0,0]=4 13500 B16R1.46654 CCOc1c(cccc1NC[C@@H](O)CO)Cl 2230a_100000744310_100009815848 [0,2,0,0,0,0|1,0,0]=3 13501 B16R1.46654 CCOc1c(cccc1NC[C@@H](O)CO)Cl 34a_100000744310_100009815848 [0,2,0,0,0,0|1,0,0]=3 13502 B16R1.46654 CCOc1c(cccc1SCC(O)CC)F 62a_100010232518_100011218378 [0,2,0,0,0,0|1,1,0]=4 13503 B16R1.46654 CCOc1c(cccc1SCC(O)CC)F 62a_100011218378_100010232518 [0,2,0,0,0,0|1,1,0]=4 13504 B16R1.46654 CCOc1c(cccc1SCC(O)CO)F 62a_100010232518_100011219619 [0,2,0,0,0,0|0,1,0]=3 13505 B16R1.46654 CCOc1c(cccc1SCC(O)CO)F 62a_100011219619_100010232518 [0,2,0,0,0,0|0,1,0]=3 13506 B16R1.46654 CCOc1c(cccc1SC[C@@H](C)CO)F 62a_100000059175_100010232518 [0,2,0,0,0,0|1,1,0]=4 13507 B16R1.46654 CCOc1c(cccc1SC[C@@H](C)CO)F 62a_100010232518_100000059175 [0,2,0,0,0,0|1,1,0]=4 13508 B16R1.46654 CCOc1c(cccc1SC[C@@H](O)CF)F 62a_100010232518_100015614560 [0,2,0,0,0,0|1,1,0]=4 13509 B16R1.46654 CCOc1c(cccc1SC[C@@H](O)CF)F 62a_100015614560_100010232518 [0,2,0,0,0,0|1,1,0]=4 13510 B16R1.46654 CCOc1c(cccc1SC[C@@H](O)CO)F 62a_100009815848_100010232518 [0,2,0,0,0,0|0,1,0]=3 13511 B16R1.46654 CCOc1c(cccc1SC[C@@H](O)CO)F 62a_100010232518_100009815848 [0,2,0,0,0,0|0,1,0]=3 13512 B16R1.46654 CNCc1c(cccc1SCC(O)CO)F 62a_100011219619_106744473292 [0,2,0,0,0,0|1,1,0]=4 13513 B16R1.46654 CNCc1c(cccc1SCC(O)CO)F 62a_106744473292_100011219619 [0,2,0,0,0,0|1,1,0]=4 13514 B16R1.46654 CNCc1c(cccc1SC[C@@H](O)CO)F 62a_100009815848_106744473292 [0,2,0,0,0,0|1,1,0]=4 13515 B16R1.46654 CNCc1c(cccc1SC[C@@H](O)CO)F 62a_106744473292_100009815848 [0,2,0,0,0,0|1,1,0]=4 13516 B16R1.56 COc1ccccc1OCC(=O)CC(C)O 1458a_100000182946_100011218427 [0,2,0,0,0,0|0,0,2]=4 13517 B16R1.56 COc1ccccc1OCC(C)NC(C)C 2230a_100000743626_100000210206 [0,2,0,0,0,0|2,0,0]=4 13518 B16R1.56 COc1ccccc1OCC(C)OC(C)C 34a_100000242603_100000210206 [0,2,0,0,0,0|2,0,0]=4 13519 B16R1.56 COc1ccccc1OCC(C)OC(C)C 7a_100000242603_100000210206 [0,2,0,0,0,0|2,0,0]=4 13520 B16R1.137 COCC(CO)NCc1ccccc1OC 207a_100000724102_100000169842 [0,2,0,0,0,0|2,0,0]=4 13521 B16R1.137 COCC(CO)NCc1ccccc1OC 2230a_100000724102_100000210004 [0,2,0,0,0,0|2,0,0]=4 13522 B16R1.137 COCC(CO)NCc1ccccc1OC 270004a_100000724102_100000169842 [0,2,0,0,0,0|2,0,0]=4 13523 B16R1.137 COCC(CO)NCc1ccccc1OC 34a_100000724102_100000210004 [0,2,0,0,0,0|2,0,0]=4 13524 B16R1.924 CCCC(C)COc1ccc(cc1OC)Br 34a_100000694246_100011216630 [0,2,0,0,0,0|2,0,0]=4 13525 B16R1.924 CCCC(C)COc1ccc(cc1OC)Br 7a_100000694246_100011216630 [0,2,0,0,0,0|2,0,0]=4 13526 B16R1.924 CCCC(C)COc1ccc(cc1OC)C 34a_100000186466_100011216630 [0,2,0,0,0,0|2,0,0]=4 13527 B16R1.924 CCCC(C)COc1ccc(cc1OC)Cl 34a_100000033002_100011216630 [0,2,0,0,0,0|2,0,0]=4 13528 B16R1.924 CCCC(C)COc1ccc(cc1OC)F 34a_100000036057_100011216630 [0,2,0,0,0,0|2,0,0]=4 13529 B16R1.924 CCCC(C)COc1ccc(cc1OC)F 7a_100000036057_100011216630 [0,2,0,0,0,0|2,0,0]=4 13530 B16R1.924 CCCC(C)COc1ccc(cc1OC)I 34a_100000049635_100011216630 [0,2,0,0,0,0|2,0,0]=4 13531 B16R1.924 CCCC(C)COc1ccc(cc1OC)N 34a_100000726020_100011216630 [0,2,0,0,0,0|2,0,0]=4 13532 B16R1.924 CCc1cc(ccc1NCC(O)COC)Br 34a_100000686106_100011215053 [0,2,0,0,0,0|2,0,0]=4 13533 B16R1.924 CCc1cc(ccc1NCC(O)COC)Br 7a_100000686106_100011215053 [0,2,0,0,0,0|2,0,0]=4 13534 B16R1.924 CCc1cc(ccc1NCC(O)COC)Cl 34a_100012017146_100011215053 [0,2,0,0,0,0|2,0,0]=4 13535 B16R1.924 CCc1cc(ccc1NCC(O)COC)Cl 7a_100012017146_100011215053 [0,2,0,0,0,0|2,0,0]=4 13536 B16R1.924 CCc1cc(ccc1NCC(O)COC)I 34a_100000014069_100011215053 [0,2,0,0,0,0|2,0,0]=4 13537 B16R1.924 CCc1cc(ccc1NCC(O)COC)I 7a_100000014069_100011215053 [0,2,0,0,0,0|2,0,0]=4 13538 B16R1.924 CCc1cc(ccc1OCC(O)COC)Br 34a_100012338938_100011215053 [0,2,0,0,0,0|1,0,0]=3 13539 B16R1.924 CCc1cc(ccc1OCC(O)COC)Br 7a_100012338938_100011215053 [0,2,0,0,0,0|1,0,0]=3 13540 B16R1.924 CCc1cc(ccc1OCC(O)COC)C 34a_100009844793_100011215053 [0,2,0,0,0,0|1,0,0]=3 13541 B16R1.924 CCc1cc(ccc1OCC(O)COC)C 7a_100009844793_100011215053 [0,2,0,0,0,0|1,0,0]=3 13542 B16R1.924 CCc1cc(ccc1OCC(O)COC)F 34a_200000035566_100011215053 [0,2,0,0,0,0|1,0,0]=3 13543 B16R1.924 CCc1cc(ccc1OCC(O)COC)F 7a_200000035566_100011215053 [0,2,0,0,0,0|1,0,0]=3 13544 B16R1.924 CCc1cc(ccc1OC[C@@H](O)CC#N)Br 7a_100012338938_100000001066 [0,2,0,0,0,0|2,0,0]=4 13545 B16R1.924 CCc1cc(ccc1OC[C@@H](O)CC#N)C 7a_100009844793_100000001066 [0,2,0,0,0,0|2,0,0]=4 13546 B16R1.924 CCc1cc(ccc1OC[C@@H](O)CC#N)F 7a_200000035566_100000001066 [0,2,0,0,0,0|2,0,0]=4 13547 B16R1.924 CCc1cc(ccc1SCC(O)COC)Br 62a_100011215053_100011216195 [0,2,0,0,0,0|1,1,0]=4 13548 B16R1.924 CCc1cc(ccc1SCC(O)COC)Br 62a_100011216195_100011215053 [0,2,0,0,0,0|1,1,0]=4 13549 B16R1.924 CCc1cc(ccc1SCC(O)COC)N 62a_100010109747_100011215053 [0,2,0,0,0,0|1,1,0]=4 13550 B16R1.924 CCc1cc(ccc1SCC(O)COC)N 62a_100011215053_100010109747 [0,2,0,0,0,0|1,1,0]=4 13551 B16R1.924 CCc1nc(ccc1OCC(O)COC)C 34a_100000718140_100011215053 [0,2,0,0,0,0|2,0,0]=4 13552 B16R1.924 CCc1nc(ccc1OCC(O)COC)C 7a_100000718140_100011215053 [0,2,0,0,0,0|2,0,0]=4 13553 B16R1.924 CNc1cc(ccc1SCC(O)COC)F 62a_100011215053_100020633008 [0,2,0,0,0,0|1,1,0]=4 13554 B16R1.924 CNc1cc(ccc1SCC(O)COC)F 62a_100020633008_100011215053 [0,2,0,0,0,0|1,1,0]=4 13555 B16R1.924 COCC(O)CNc1ccc(cc1OC)Br 34a_100011279103_100011215053 [0,2,0,0,0,0|1,0,0]=3 13556 B16R1.924 COCC(O)CNc1ccc(cc1OC)C 34a_100000746441_100011215053 [0,2,0,0,0,0|1,0,0]=3 13557 B16R1.924 COCC(O)CNc1ccc(cc1OC)Cl 34a_100000707585_100011215053 [0,2,0,0,0,0|1,0,0]=3 13558 B16R1.924 COCC(O)CNc1ccc(cc1OC)F 34a_100000737216_100011215053 [0,2,0,0,0,0|1,0,0]=3 13559 B16R1.924 COCC(O)CNc1ccc(cc1OC)I 34a_100015196925_100011215053 [0,2,0,0,0,0|1,0,0]=3 13560 B16R1.924 COCC(O)CNc1ccc(cc1OC)O 34a_100015326901_100011215053 [0,2,0,0,0,0|1,0,0]=3 13561 B16R1.924 COCC(O)COc1ccc(cc1C#N)Br 34a_100000687585_100011215053 [0,2,0,0,0,0|2,0,0]=4 13562 B16R1.924 COCC(O)COc1ccc(cc1C#N)Br 7a_100000687585_100011215053 [0,2,0,0,0,0|2,0,0]=4 13563 B16R1.924 COCC(O)COc1ccc(cc1C#N)C 34a_200012180384_100011215053 [0,2,0,0,0,0|2,0,0]=4 13564 B16R1.924 COCC(O)COc1ccc(cc1C#N)C 7a_200012180384_100011215053 [0,2,0,0,0,0|2,0,0]=4 13565 B16R1.924 COCC(O)COc1ccc(cc1C#N)Cl 34a_100011219380_100011215053 [0,2,0,0,0,0|2,0,0]=4 13566 B16R1.924 COCC(O)COc1ccc(cc1C#N)Cl 7a_100011219380_100011215053 [0,2,0,0,0,0|2,0,0]=4 13567 B16R1.924 COCC(O)COc1ccc(cc1C#N)F 34a_100011900173_100011215053 [0,2,0,0,0,0|2,0,0]=4 13568 B16R1.924 COCC(O)COc1ccc(cc1C#N)F 7a_100011900173_100011215053 [0,2,0,0,0,0|2,0,0]=4 13569 B16R1.924 COCC(O)COc1ccc(cc1C#N)I 34a_200000049958_100011215053 [0,2,0,0,0,0|2,0,0]=4 13570 B16R1.924 COCC(O)COc1ccc(cc1C#N)I 7a_200000049958_100011215053 [0,2,0,0,0,0|2,0,0]=4 13571 B16R1.924 COCC(O)COc1ccc(cc1C#N)N 34a_100011249283_100011215053 [0,2,0,0,0,0|2,0,0]=4 13572 B16R1.924 COCC(O)COc1ccc(cc1C#N)N 7a_100011249283_100011215053 [0,2,0,0,0,0|2,0,0]=4 13573 B16R1.924 COCC(O)COc1ccc(cc1CBr)F 34a_100010161318_100011215053 [0,2,0,0,0,0|2,0,0]=4 13574 B16R1.924 COCC(O)COc1ccc(cc1CBr)F 7a_100010161318_100011215053 [0,2,0,0,0,0|2,0,0]=4 13575 B16R1.924 COCC(O)COc1ccc(cc1CN)Br 34a_100000730032_100011215053 [0,2,0,0,0,0|2,0,0]=4 13576 B16R1.924 COCC(O)COc1ccc(cc1CN)Cl 34a_100000238540_100011215053 [0,2,0,0,0,0|2,0,0]=4 13577 B16R1.924 COCC(O)COc1ccc(cc1CO)Br 34a_100000184703_100011215053 [0,2,0,0,0,0|2,0,0]=4 13578 B16R1.924 COCC(O)COc1ccc(cc1CO)Br 7a_100000184703_100011215053 [0,2,0,0,0,0|2,0,0]=4 13579 B16R1.924 COCC(O)COc1ccc(cc1CO)C 34a_200011846009_100011215053 [0,2,0,0,0,0|2,0,0]=4 13580 B16R1.924 COCC(O)COc1ccc(cc1CO)C 7a_200011846009_100011215053 [0,2,0,0,0,0|2,0,0]=4 13581 B16R1.924 COCC(O)COc1ccc(cc1CO)Cl 34a_100011218961_100011215053 [0,2,0,0,0,0|2,0,0]=4 13582 B16R1.924 COCC(O)COc1ccc(cc1CO)Cl 7a_100011218961_100011215053 [0,2,0,0,0,0|2,0,0]=4 13583 B16R1.924 COCC(O)COc1ccc(cc1CO)F 34a_100011291448_100011215053 [0,2,0,0,0,0|2,0,0]=4 13584 B16R1.924 COCC(O)COc1ccc(cc1CO)F 7a_100011291448_100011215053 [0,2,0,0,0,0|2,0,0]=4 13585 B16R1.924 COCC(O)COc1ccc(cc1CO)I 34a_100000049520_100011215053 [0,2,0,0,0,0|2,0,0]=4 13586 B16R1.924 COCC(O)COc1ccc(cc1CO)I 7a_100000049520_100011215053 [0,2,0,0,0,0|2,0,0]=4 13587 B16R1.924 COCC(O)COc1ccc(cc1OC)Br 34a_100000694246_100011215053 [0,2,0,0,0,0|0,0,0]=2 13588 B16R1.924 COCC(O)COc1ccc(cc1OC)Br 7a_100000694246_100011215053 [0,2,0,0,0,0|0,0,0]=2 13589 B16R1.924 COCC(O)COc1ccc(cc1OC)C 34a_100000186466_100011215053 [0,2,0,0,0,0|0,0,0]=2 13590 B16R1.924 COCC(O)COc1ccc(cc1OC)Cl 34a_100000033002_100011215053 [0,2,0,0,0,0|0,0,0]=2 13591 B16R1.924 COCC(O)COc1ccc(cc1OC)F 34a_100000036057_100011215053 [0,2,0,0,0,0|0,0,0]=2 13592 B16R1.924 COCC(O)COc1ccc(cc1OC)F 7a_100000036057_100011215053 [0,2,0,0,0,0|0,0,0]=2 13593 B16R1.924 COCC(O)COc1ccc(cc1OC)I 34a_100000049635_100011215053 [0,2,0,0,0,0|0,0,0]=2 13594 B16R1.924 COCC(O)COc1ccc(cc1OC)N 34a_100000726020_100011215053 [0,2,0,0,0,0|0,0,0]=2 13595 B16R1.924 COCC(O)COc1ccc(nc1OC)Br 34a_100010893133_100011215053 [0,2,0,0,0,0|1,0,0]=3 13596 B16R1.924 COCC(O)COc1ncc(cc1OC)Cl 34a_200009845368_100011215053 [0,2,0,0,0,0|1,0,0]=3 13597 B16R1.924 COCC(O)CSc1ccc(cc1OC)Br 62a_100010245111_100011215053 [0,2,0,0,0,0|0,1,0]=3 13598 B16R1.924 COCC(O)CSc1ccc(cc1OC)Br 62a_100011215053_100010245111 [0,2,0,0,0,0|0,1,0]=3 13599 B16R1.924 COCC(O)CSc1ccc(cc1OC)C 62a_100010200004_100011215053 [0,2,0,0,0,0|0,1,0]=3 13600 B16R1.924 COCC(O)CSc1ccc(cc1OC)C 62a_100011215053_100010200004 [0,2,0,0,0,0|0,1,0]=3 13601 B16R1.924 COCC(O)CSc1ccc(cc1OC)Cl 62a_100000050115_100011215053 [0,2,0,0,0,0|0,1,0]=3 13602 B16R1.924 COCC(O)CSc1ccc(cc1OC)Cl 62a_100011215053_100000050115 [0,2,0,0,0,0|0,1,0]=3 13603 B16R1.924 COCC(O)CSc1ccc(cc1OC)F 62a_100000757151_100011215053 [0,2,0,0,0,0|0,1,0]=3 13604 B16R1.924 COCC(O)CSc1ccc(cc1OC)F 62a_100011215053_100000757151 [0,2,0,0,0,0|0,1,0]=3 13605 B16R1.924 COCC(O)CSc1ccc(cc1OC)N 62a_100000765947_100011215053 [0,2,0,0,0,0|0,1,0]=3 13606 B16R1.924 COCC(O)CSc1ccc(cc1OC)N 62a_100011215053_100000765947 [0,2,0,0,0,0|0,1,0]=3 13607 B16R1.924 COCC(O)CSc1ccc(cc1OC)O 62a_100011215053_100011827694 [0,2,0,0,0,0|0,1,0]=3 13608 B16R1.924 COCC(O)CSc1ccc(cc1SC)C 62a_100011215053_200010709736 [0,2,0,0,0,0|0,2,0]=4 13609 B16R1.924 COCC(O)CSc1ccc(cc1SC)C 62a_200010709736_100011215053 [0,2,0,0,0,0|0,2,0]=4 13610 B16R1.924 COCC(O)CSc1ccc(nc1OC)C 62a_100010138632_100011215053 [0,2,0,0,0,0|1,1,0]=4 13611 B16R1.924 COCC(O)CSc1ccc(nc1OC)C 62a_100011215053_100010138632 [0,2,0,0,0,0|1,1,0]=4 13612 B16R1.924 COCC(O)CSc1ccc(nc1OC)N 62a_100010187630_100011215053 [0,2,0,0,0,0|1,1,0]=4 13613 B16R1.924 COCC(O)CSc1ccc(nc1OC)N 62a_100011215053_100010187630 [0,2,0,0,0,0|1,1,0]=4 13614 B16R1.924 COCC(O)CSc1cnc(cc1OC)C 62a_100000717771_100011215053 [0,2,0,0,0,0|1,1,0]=4 13615 B16R1.924 COCC(O)CSc1cnc(cc1OC)C 62a_100011215053_100000717771 [0,2,0,0,0,0|1,1,0]=4 13616 B16R1.924 COCC(O)CSc1cnc(cc1OC)Cl 62a_100010154656_100011215053 [0,2,0,0,0,0|1,1,0]=4 13617 B16R1.924 COCC(O)CSc1cnc(cc1OC)Cl 62a_100011215053_100010154656 [0,2,0,0,0,0|1,1,0]=4 13618 B16R1.924 COCC(O)CSc1cnc(cc1OC)F 62a_100010135560_100011215053 [0,2,0,0,0,0|1,1,0]=4 13619 B16R1.924 COCC(O)CSc1cnc(cc1OC)F 62a_100011215053_100010135560 [0,2,0,0,0,0|1,1,0]=4 13620 B16R1.924 COCC(O)CSc1cnc(cc1OC)N 62a_100011215053_100015506990 [0,2,0,0,0,0|1,1,0]=4 13621 B16R1.924 COCC(O)CSc1cnc(cc1OC)N 62a_100015506990_100011215053 [0,2,0,0,0,0|1,1,0]=4 13622 B16R1.924 COCC(O)CSc1ncc(cc1OC)C 62a_100011215053_200000118316 [0,2,0,0,0,0|1,1,0]=4 13623 B16R1.924 COCC(O)CSc1ncc(cc1OC)F 62a_100010136273_100011215053 [0,2,0,0,0,0|1,1,0]=4 13624 B16R1.924 COCC(O)CSc1ncc(cc1OC)F 62a_100011215053_100009867738 [0,2,0,0,0,0|1,1,0]=4 13625 B16R1.924 COCC(O)CSc1ncc(cc1OC)N 62a_100011215053_100000097218 [0,2,0,0,0,0|1,1,0]=4 13626 B16R1.924 COCC(O)CSc1ncc(cc1OC)N 62a_200010291755_100011215053 [0,2,0,0,0,0|1,1,0]=4 13627 B16R1.924 COc1cc(ccc1NC[C@@H](O)CC#N)C 2230a_100000746441_100000001066 [0,2,0,0,0,0|2,0,0]=4 13628 B16R1.924 COc1cc(ccc1OCC(=O)CCO)C 1458a_100000183895_100000211926 [0,2,0,0,0,0|0,0,2]=4 13629 B16R1.924 COc1cc(ccc1OCC(=O)NCO)Br 34a_100000694246_100000185155 [0,2,0,0,0,0|0,0,2]=4 13630 B16R1.924 COc1cc(ccc1OCC(=O)NCO)Br 7a_100000694246_100000185155 [0,2,0,0,0,0|0,0,2]=4 13631 B16R1.924 COc1cc(ccc1OCC(=O)NCO)C 34a_100000186466_100000185155 [0,2,0,0,0,0|0,0,2]=4 13632 B16R1.924 COc1cc(ccc1OCC(=O)NCO)Cl 34a_100000033002_100000185155 [0,2,0,0,0,0|0,0,2]=4 13633 B16R1.924 COc1cc(ccc1OCC(=O)NCO)F 34a_100000036057_100000185155 [0,2,0,0,0,0|0,0,2]=4 13634 B16R1.924 COc1cc(ccc1OCC(=O)NCO)F 7a_100000036057_100000185155 [0,2,0,0,0,0|0,0,2]=4 13635 B16R1.924 COc1cc(ccc1OCC(=O)NCO)I 34a_100000049635_100000185155 [0,2,0,0,0,0|0,0,2]=4 13636 B16R1.924 COc1cc(ccc1OCC(=O)NCO)N 34a_100000726020_100000185155 [0,2,0,0,0,0|0,0,2]=4 13637 B16R1.924 COc1cc(ccc1OC[C@@H](O)CC#N)Br 7a_100000694246_100000001066 [0,2,0,0,0,0|1,0,0]=3 13638 B16R1.924 COc1cc(ccc1OC[C@@H](O)CC#N)F 7a_100000036057_100000001066 [0,2,0,0,0,0|1,0,0]=3 13639 B16R1.924 COc1cc(ccc1SC[C@@H](O)CC#N)Br 62a_100000001066_100010245111 [0,2,0,0,0,0|1,1,0]=4 13640 B16R1.924 COc1cc(ccc1SC[C@@H](O)CC#N)Br 62a_100010245111_100000001066 [0,2,0,0,0,0|1,1,0]=4 13641 B16R1.924 COc1cc(ccc1SC[C@@H](O)CC#N)C 62a_100000001066_100010200004 [0,2,0,0,0,0|1,1,0]=4 13642 B16R1.924 COc1cc(ccc1SC[C@@H](O)CC#N)C 62a_100010200004_100000001066 [0,2,0,0,0,0|1,1,0]=4 13643 B16R1.924 COc1cc(ccc1SC[C@@H](O)CC#N)Cl 62a_100000001066_100000050115 [0,2,0,0,0,0|1,1,0]=4 13644 B16R1.924 COc1cc(ccc1SC[C@@H](O)CC#N)Cl 62a_100000050115_100000001066 [0,2,0,0,0,0|1,1,0]=4 13645 B16R1.924 COc1cc(ccc1SC[C@@H](O)CC#N)F 62a_100000001066_100000757151 [0,2,0,0,0,0|1,1,0]=4 13646 B16R1.924 COc1cc(ccc1SC[C@@H](O)CC#N)F 62a_100000757151_100000001066 [0,2,0,0,0,0|1,1,0]=4 13647 B16R1.924 COc1cc(ccc1SC[C@@H](O)CC#N)N 62a_100000001066_100000765947 [0,2,0,0,0,0|1,1,0]=4 13648 B16R1.924 COc1cc(ccc1SC[C@@H](O)CC#N)N 62a_100000765947_100000001066 [0,2,0,0,0,0|1,1,0]=4 13649 B16R1.924 COc1cc(ccc1SC[C@@H](O)CC#N)O 62a_100000001066_100011827694 [0,2,0,0,0,0|1,1,0]=4 13650 B16R1.1454 C#CCNC(C)COc1ccccc1OC 2230a_100000743626_100000038162 [0,2,0,0,0,0|2,0,0]=4 13651 B16R1.1454 C#CCOC(C)COc1ccccc1OC 34a_100000242603_100000184674 [0,2,0,0,0,0|2,0,0]=4 13652 B16R1.1454 C#CCOC(C)COc1ccccc1OC 7a_100000242603_100000038162 [0,2,0,0,0,0|2,0,0]=4 13653 B16R1.1454 C=C(COc1ccccc1OC)OCOC 34a_100000210385_100000042856 [0,2,0,0,0,0|1,0,1]=4 13654 B16R1.1454 C=CCNC(C)COc1ccccc1OC 2230a_100000743626_100000210623 [0,2,0,0,0,0|2,0,0]=4 13655 B16R1.1454 C=CCOC(C)COc1ccccc1OC 34a_100000242603_100015514636 [0,2,0,0,0,0|2,0,0]=4 13656 B16R1.1454 C=CCOC(C)COc1ccccc1OC 7a_100000242603_100015514636 [0,2,0,0,0,0|2,0,0]=4 13657 B16R1.1454 CCCNC(C)COc1ccccc1OC 2230a_100000743626_100000210303 [0,2,0,0,0,0|2,0,0]=4 13658 B16R1.1454 CCCOC(C)COc1ccccc1OC 34a_100000242603_100000210303 [0,2,0,0,0,0|2,0,0]=4 13659 B16R1.1454 CCCOC(C)COc1ccccc1OC 7a_100000242603_100000210303 [0,2,0,0,0,0|2,0,0]=4 13660 B16R1.1454 COCCC(=O)COc1ccccc1OC 1458a_100000182946_100000233755 [0,2,0,0,0,0|0,0,2]=4 13661 B16R1.1454 COCNC(C)COc1ccccc1OC 2230a_100000743626_100000766300 [0,2,0,0,0,0|1,0,0]=3 13662 B16R1.1454 COc1ccccc1OCC(=O)CCCO 1458a_100000182946_100011215043 [0,2,0,0,0,0|0,0,2]=4 13663 B16R1.1454 COc1ccccc1OCC(=O)NCCO 240690a_100000210304_100000182946 [0,2,0,0,0,0|0,0,2]=4 13664 B16R1.1454 COc1ccccc1OCC(=O)NCCO 527a_100000210304_100000182946 [0,2,0,0,0,0|0,0,2]=4 13665 B16R1.1454 COc1ccccc1OCC(C)NCC#N 2230a_100000743626_100011215382 [0,2,0,0,0,0|2,0,0]=4 13666 B16R1.1454 COc1ccccc1OCC(C)NCC=O 2230a_100000743626_200015260668 [0,2,0,0,0,0|1,0,1]=4 13667 B16R1.1454 COc1ccccc1OCC(C)NCCF 2230a_100000743626_100011217306 [0,2,0,0,0,0|2,0,0]=4 13668 B16R1.1454 COc1ccccc1OCC(C)NCCO 2230a_100000743626_100000211926 [0,2,0,0,0,0|1,0,0]=3 13669 B16R1.1454 COc1ccccc1OCC(C)NCSC 2230a_100000743626_100011218213 [0,2,0,0,0,0|1,1,0]=4 13670 B16R1.1454 COc1ccccc1OCC(C)OCC#N 7a_100000242603_100011215382 [0,2,0,0,0,0|2,0,0]=4 13671 B16R1.1454 COc1ccccc1OCC(C)OCC=O 34a_100000242603_200009817547 [0,2,0,0,0,0|1,0,1]=4 13672 B16R1.1454 COc1ccccc1OCC(C)OCC=O 7a_100000242603_200015260668 [0,2,0,0,0,0|1,0,1]=4 13673 B16R1.1454 COc1ccccc1OCC(C)OCCF 34a_100000242603_100011217306 [0,2,0,0,0,0|2,0,0]=4 13674 B16R1.1454 COc1ccccc1OCC(C)OCCF 7a_100000242603_100011217306 [0,2,0,0,0,0|2,0,0]=4 13675 B16R1.1454 COc1ccccc1OCC(C)OCCO 34a_100000242603_100000211926 [0,2,0,0,0,0|1,0,0]=3 13676 B16R1.1454 COc1ccccc1OCC(C)OCCO 7a_100000242603_100000211926 [0,2,0,0,0,0|1,0,0]=3 13677 B16R1.1454 COc1ccccc1OCC(C)OCSC 34a_100000242603_100011218213 [0,2,0,0,0,0|1,1,0]=4 13678 B16R1.4229 COCC(O)CN(C)c1ccccc1OC 34a_100000219746_100011215053 [0,2,0,0,0,0|1,0,0]=3 13679 B16R1.4229 COc1ccccc1N(C)C[C@@H](O)CC#N 2230a_100000219746_100000001066 [0,2,0,0,0,0|2,0,0]=4 13680 B16R1.4430 CCCC(C)COc1cc(ccc1OC)Br 34a_100009816560_100011216630 [0,2,0,0,0,0|2,0,0]=4 13681 B16R1.4430 CCCC(C)COc1cc(ccc1OC)Br 7a_100009816560_100011216630 [0,2,0,0,0,0|2,0,0]=4 13682 B16R1.4430 CCCC(C)COc1cc(ccc1OC)C 34a_100011216497_100011216630 [0,2,0,0,0,0|2,0,0]=4 13683 B16R1.4430 CCCC(C)COc1cc(ccc1OC)C 7a_100011216497_100011216630 [0,2,0,0,0,0|2,0,0]=4 13684 B16R1.4430 CCCC(C)COc1cc(ccc1OC)Cl 34a_100000101779_100011216630 [0,2,0,0,0,0|2,0,0]=4 13685 B16R1.4430 CCCC(C)COc1cc(ccc1OC)Cl 7a_100000101779_100011216630 [0,2,0,0,0,0|2,0,0]=4 13686 B16R1.4430 CCCC(C)COc1cc(ccc1OC)F 34a_100000034962_100011216630 [0,2,0,0,0,0|2,0,0]=4 13687 B16R1.4430 CCCC(C)COc1cc(ccc1OC)F 7a_100000034962_100011216630 [0,2,0,0,0,0|2,0,0]=4 13688 B16R1.4430 CCCC(C)COc1cc(ccc1OC)N 34a_100000211920_100011216630 [0,2,0,0,0,0|2,0,0]=4 13689 B16R1.4430 CCc1ccc(cc1NCC(O)COC)Br 34a_100012354963_100011215053 [0,2,0,0,0,0|2,0,0]=4 13690 B16R1.4430 CCc1ccc(cc1NCC(O)COC)Br 7a_100012354963_100011215053 [0,2,0,0,0,0|2,0,0]=4 13691 B16R1.4430 CCc1ccc(cc1NCC(O)COC)Cl 34a_200012281948_100011215053 [0,2,0,0,0,0|2,0,0]=4 13692 B16R1.4430 CCc1ccc(cc1NCC(O)COC)Cl 7a_200012281948_100011215053 [0,2,0,0,0,0|2,0,0]=4 13693 B16R1.4430 CNc1ccc(cc1SCC(O)COC)C 62a_100000221369_100011215053 [0,2,0,0,0,0|1,1,0]=4 13694 B16R1.4430 CNc1ccc(cc1SCC(O)COC)C 62a_100011215053_100000221369 [0,2,0,0,0,0|1,1,0]=4 13695 B16R1.4430 CNc1ccc(cc1SCC(O)COC)F 62a_100011215053_100011246292 [0,2,0,0,0,0|1,1,0]=4 13696 B16R1.4430 CNc1ccc(cc1SCC(O)COC)F 62a_100011246292_100011215053 [0,2,0,0,0,0|1,1,0]=4 13697 B16R1.4430 COCC(O)CNc1cc(ccc1OC)Br 34a_100000743470_100011215053 [0,2,0,0,0,0|1,0,0]=3 13698 B16R1.4430 COCC(O)CNc1cc(ccc1OC)C 34a_100000210980_100011215053 [0,2,0,0,0,0|1,0,0]=3 13699 B16R1.4430 COCC(O)CNc1cc(ccc1OC)Cl 34a_100000182114_100011215053 [0,2,0,0,0,0|1,0,0]=3 13700 B16R1.4430 COCC(O)CNc1cc(ccc1OC)F 34a_100000757179_100011215053 [0,2,0,0,0,0|1,0,0]=3 13701 B16R1.4430 COCC(O)CNc1cc(ccc1SC)Cl 34a_100000745667_100011215053 [0,2,0,0,0,0|1,1,0]=4 13702 B16R1.4430 COCC(O)COc1cc(ccc1C#N)Br 34a_100011934713_100011215053 [0,2,0,0,0,0|2,0,0]=4 13703 B16R1.4430 COCC(O)COc1cc(ccc1C#N)Br 7a_100011934713_100011215053 [0,2,0,0,0,0|2,0,0]=4 13704 B16R1.4430 COCC(O)COc1cc(ccc1C#N)C 34a_100011640519_100011215053 [0,2,0,0,0,0|2,0,0]=4 13705 B16R1.4430 COCC(O)COc1cc(ccc1C#N)C 7a_100011640519_100011215053 [0,2,0,0,0,0|2,0,0]=4 13706 B16R1.4430 COCC(O)COc1cc(ccc1C#N)Cl 34a_100000688488_100011215053 [0,2,0,0,0,0|2,0,0]=4 13707 B16R1.4430 COCC(O)COc1cc(ccc1C#N)Cl 7a_100000688488_100011215053 [0,2,0,0,0,0|2,0,0]=4 13708 B16R1.4430 COCC(O)COc1cc(ccc1C#N)F 34a_100012185923_100011215053 [0,2,0,0,0,0|2,0,0]=4 13709 B16R1.4430 COCC(O)COc1cc(ccc1C#N)F 7a_100012185923_100011215053 [0,2,0,0,0,0|2,0,0]=4 13710 B16R1.4430 COCC(O)COc1cc(ccc1C#N)N 34a_100000094571_100011215053 [0,2,0,0,0,0|2,0,0]=4 13711 B16R1.4430 COCC(O)COc1cc(ccc1C#N)N 7a_100000094571_100011215053 [0,2,0,0,0,0|2,0,0]=4 13712 B16R1.4430 COCC(O)COc1cc(ccc1CO)Br 34a_100000071718_100011215053 [0,2,0,0,0,0|2,0,0]=4 13713 B16R1.4430 COCC(O)COc1cc(ccc1CO)Br 7a_100000071718_100011215053 [0,2,0,0,0,0|2,0,0]=4 13714 B16R1.4430 COCC(O)COc1cc(ccc1OC)Br 34a_100009816560_100011215053 [0,2,0,0,0,0|0,0,0]=2 13715 B16R1.4430 COCC(O)COc1cc(ccc1OC)Br 7a_100009816560_100011215053 [0,2,0,0,0,0|0,0,0]=2 13716 B16R1.4430 COCC(O)COc1cc(ccc1OC)C 34a_100011216497_100011215053 [0,2,0,0,0,0|0,0,0]=2 13717 B16R1.4430 COCC(O)COc1cc(ccc1OC)C 7a_100011216497_100011215053 [0,2,0,0,0,0|0,0,0]=2 13718 B16R1.4430 COCC(O)COc1cc(ccc1OC)Cl 34a_100000101779_100011215053 [0,2,0,0,0,0|0,0,0]=2 13719 B16R1.4430 COCC(O)COc1cc(ccc1OC)Cl 7a_100000101779_100011215053 [0,2,0,0,0,0|0,0,0]=2 13720 B16R1.4430 COCC(O)COc1cc(ccc1OC)F 34a_100000034962_100011215053 [0,2,0,0,0,0|0,0,0]=2 13721 B16R1.4430 COCC(O)COc1cc(ccc1OC)F 7a_100000034962_100011215053 [0,2,0,0,0,0|0,0,0]=2 13722 B16R1.4430 COCC(O)COc1cc(ccc1OC)N 34a_100000211920_100011215053 [0,2,0,0,0,0|0,0,0]=2 13723 B16R1.4430 COCC(O)COc1cc(cnc1OC)Br 34a_100010135713_100011215053 [0,2,0,0,0,0|1,0,0]=3 13724 B16R1.4430 COCC(O)COc1cc(ncc1OC)Br 34a_100010264082_100011215053 [0,2,0,0,0,0|1,0,0]=3 13725 B16R1.4430 COCC(O)COc1cc(ncc1OC)Cl 34a_100009849459_100011215053 [0,2,0,0,0,0|1,0,0]=3 13726 B16R1.4430 COCC(O)CSc1cc(=O)[nH]cc1OC 62a_100011215053_100121573661 [0,2,0,0,0,0|1,1,0]=4 13727 B16R1.4430 COCC(O)CSc1cc(=O)[nH]cc1OC 62a_100121573661_100011215053 [0,2,0,0,0,0|1,1,0]=4 13728 B16R1.4430 COCC(O)CSc1cc(ccc1OC)Br 62a_100011215053_100012351588 [0,2,0,0,0,0|0,1,0]=3 13729 B16R1.4430 COCC(O)CSc1cc(ccc1OC)Br 62a_100012351588_100011215053 [0,2,0,0,0,0|0,1,0]=3 13730 B16R1.4430 COCC(O)CSc1cc(ccc1OC)C 62a_100000186399_100011215053 [0,2,0,0,0,0|0,1,0]=3 13731 B16R1.4430 COCC(O)CSc1cc(ccc1OC)C 62a_100011215053_100000186399 [0,2,0,0,0,0|0,1,0]=3 13732 B16R1.4430 COCC(O)CSc1cc(ccc1OC)Cl 62a_100011215053_100011215930 [0,2,0,0,0,0|0,1,0]=3 13733 B16R1.4430 COCC(O)CSc1cc(ccc1OC)Cl 62a_100011215930_100011215053 [0,2,0,0,0,0|0,1,0]=3 13734 B16R1.4430 COCC(O)CSc1cc(ccc1OC)F 62a_100000171694_100011215053 [0,2,0,0,0,0|0,1,0]=3 13735 B16R1.4430 COCC(O)CSc1cc(ccc1OC)F 62a_100011215053_100000171694 [0,2,0,0,0,0|0,1,0]=3 13736 B16R1.4430 COCC(O)CSc1cc(ccc1OC)N 62a_100011215053_100011356947 [0,2,0,0,0,0|0,1,0]=3 13737 B16R1.4430 COCC(O)CSc1cc(ccc1OC)N 62a_100011356947_100011215053 [0,2,0,0,0,0|0,1,0]=3 13738 B16R1.4430 COCC(O)CSc1cc(ccc1OC)O 62a_100010234764_100011215053 [0,2,0,0,0,0|0,1,0]=3 13739 B16R1.4430 COCC(O)CSc1cc(ccc1OC)O 62a_100011215053_100010234764 [0,2,0,0,0,0|0,1,0]=3 13740 B16R1.4430 COCC(O)CSc1cc(ccc1SC)C 62a_100011215053_200010201864 [0,2,0,0,0,0|0,2,0]=4 13741 B16R1.4430 COCC(O)CSc1cc(ccc1SC)C 62a_200010201864_100011215053 [0,2,0,0,0,0|0,2,0]=4 13742 B16R1.4430 COCC(O)CSc1cc(ccc1SC)F 62a_100009817003_100011215053 [0,2,0,0,0,0|0,2,0]=4 13743 B16R1.4430 COCC(O)CSc1cc(ccc1SC)F 62a_100011215053_100009817003 [0,2,0,0,0,0|0,2,0]=4 13744 B16R1.4430 COCC(O)CSc1cc(cnc1OC)Br 62a_100009814608_100011215053 [0,2,0,0,0,0|1,1,0]=4 13745 B16R1.4430 COCC(O)CSc1cc(cnc1OC)Br 62a_100011215053_100009814608 [0,2,0,0,0,0|1,1,0]=4 13746 B16R1.4430 COCC(O)CSc1cc(cnc1OC)C 62a_100011215053_100012353929 [0,2,0,0,0,0|1,1,0]=4 13747 B16R1.4430 COCC(O)CSc1cc(cnc1OC)C 62a_100012353929_100011215053 [0,2,0,0,0,0|1,1,0]=4 13748 B16R1.4430 COCC(O)CSc1cc(cnc1OC)F 62a_100009828472_100011215053 [0,2,0,0,0,0|1,1,0]=4 13749 B16R1.4430 COCC(O)CSc1cc(cnc1OC)F 62a_100011215053_100009828472 [0,2,0,0,0,0|1,1,0]=4 13750 B16R1.4430 COCC(O)CSc1cc(cnc1OC)N 62a_100011215053_100012351452 [0,2,0,0,0,0|1,1,0]=4 13751 B16R1.4430 COCC(O)CSc1cc(cnc1OC)N 62a_100012351452_100011215053 [0,2,0,0,0,0|1,1,0]=4 13752 B16R1.4430 COCC(O)CSc1cc(ncc1OC)C 62a_100010109759_100011215053 [0,2,0,0,0,0|1,1,0]=4 13753 B16R1.4430 COCC(O)CSc1cc(ncc1OC)C 62a_100011215053_100010109759 [0,2,0,0,0,0|1,1,0]=4 13754 B16R1.4430 COCC(O)CSc1nc(ccc1OC)C 62a_100009820875_100011215053 [0,2,0,0,0,0|1,1,0]=4 13755 B16R1.4430 COCC(O)CSc1nc(ccc1OC)C 62a_100011215053_100009820875 [0,2,0,0,0,0|1,1,0]=4 13756 B16R1.4430 COCC(O)CSc1nc(ccc1OC)N 62a_100010172607_100011215053 [0,2,0,0,0,0|1,1,0]=4 13757 B16R1.4430 COCC(O)CSc1nc(ccc1OC)N 62a_100011215053_100010172607 [0,2,0,0,0,0|1,1,0]=4 13758 B16R1.4430 COc1ccc(cc1NC[C@@H](O)CC#N)C 2230a_100000210980_100000001066 [0,2,0,0,0,0|2,0,0]=4 13759 B16R1.4430 COc1ccc(cc1OCC(=O)NCO)Br 34a_100009816560_100000185155 [0,2,0,0,0,0|0,0,2]=4 13760 B16R1.4430 COc1ccc(cc1OCC(=O)NCO)Br 7a_100009816560_100000185155 [0,2,0,0,0,0|0,0,2]=4 13761 B16R1.4430 COc1ccc(cc1OCC(=O)NCO)C 34a_100011216497_100000185155 [0,2,0,0,0,0|0,0,2]=4 13762 B16R1.4430 COc1ccc(cc1OCC(=O)NCO)C 7a_100011216497_100000185155 [0,2,0,0,0,0|0,0,2]=4 13763 B16R1.4430 COc1ccc(cc1OCC(=O)NCO)Cl 34a_100000101779_100000185155 [0,2,0,0,0,0|0,0,2]=4 13764 B16R1.4430 COc1ccc(cc1OCC(=O)NCO)Cl 7a_100000101779_100000185155 [0,2,0,0,0,0|0,0,2]=4 13765 B16R1.4430 COc1ccc(cc1OCC(=O)NCO)F 34a_100000034962_100000185155 [0,2,0,0,0,0|0,0,2]=4 13766 B16R1.4430 COc1ccc(cc1OCC(=O)NCO)F 7a_100000034962_100000185155 [0,2,0,0,0,0|0,0,2]=4 13767 B16R1.4430 COc1ccc(cc1OCC(=O)NCO)N 34a_100000211920_100000185155 [0,2,0,0,0,0|0,0,2]=4 13768 B16R1.4430 COc1ccc(cc1OC[C@@H](O)CC#N)Br 7a_100009816560_100000001066 [0,2,0,0,0,0|1,0,0]=3 13769 B16R1.4430 COc1ccc(cc1OC[C@@H](O)CC#N)C 7a_100011216497_100000001066 [0,2,0,0,0,0|1,0,0]=3 13770 B16R1.4430 COc1ccc(cc1OC[C@@H](O)CC#N)Cl 7a_100000101779_100000001066 [0,2,0,0,0,0|1,0,0]=3 13771 B16R1.4430 COc1ccc(cc1OC[C@@H](O)CC#N)F 7a_100000034962_100000001066 [0,2,0,0,0,0|1,0,0]=3 13772 B16R1.4430 COc1ccc(cc1SC[C@@H](O)CC#N)Br 62a_100000001066_100012351588 [0,2,0,0,0,0|1,1,0]=4 13773 B16R1.4430 COc1ccc(cc1SC[C@@H](O)CC#N)Br 62a_100012351588_100000001066 [0,2,0,0,0,0|1,1,0]=4 13774 B16R1.4430 COc1ccc(cc1SC[C@@H](O)CC#N)C 62a_100000001066_100000186399 [0,2,0,0,0,0|1,1,0]=4 13775 B16R1.4430 COc1ccc(cc1SC[C@@H](O)CC#N)C 62a_100000186399_100000001066 [0,2,0,0,0,0|1,1,0]=4 13776 B16R1.4430 COc1ccc(cc1SC[C@@H](O)CC#N)Cl 62a_100000001066_100011215930 [0,2,0,0,0,0|1,1,0]=4 13777 B16R1.4430 COc1ccc(cc1SC[C@@H](O)CC#N)Cl 62a_100011215930_100000001066 [0,2,0,0,0,0|1,1,0]=4 13778 B16R1.4430 COc1ccc(cc1SC[C@@H](O)CC#N)F 62a_100000001066_100000171694 [0,2,0,0,0,0|1,1,0]=4 13779 B16R1.4430 COc1ccc(cc1SC[C@@H](O)CC#N)F 62a_100000171694_100000001066 [0,2,0,0,0,0|1,1,0]=4 13780 B16R1.4430 COc1ccc(cc1SC[C@@H](O)CC#N)N 62a_100000001066_100011356947 [0,2,0,0,0,0|1,1,0]=4 13781 B16R1.4430 COc1ccc(cc1SC[C@@H](O)CC#N)N 62a_100011356947_100000001066 [0,2,0,0,0,0|1,1,0]=4 13782 B16R1.4430 COc1ccc(cc1SC[C@@H](O)CC#N)O 62a_100000001066_100010234764 [0,2,0,0,0,0|1,1,0]=4 13783 B16R1.4430 COc1ccc(cc1SC[C@@H](O)CC#N)O 62a_100010234764_100000001066 [0,2,0,0,0,0|1,1,0]=4 13784 B16R1.4440 C=C(C)c1ccccc1NCC(O)COC 34a_100000037685_100011215053 [0,2,0,0,0,0|2,0,0]=4 13785 B16R1.4440 CC(C)c1ccccc1OC[C@@H](O)CC#N 7a_100000211617_100000001066 [0,2,0,0,0,0|2,0,0]=4 13786 B16R1.4440 CC(O)c1ccccc1OC[C@@H](O)CC#N 7a_200011232679_100000001066 [0,2,0,0,0,0|2,0,0]=4 13787 B16R1.4440 COCC(O)CNc1ccccc1C(C)C 34a_100000210643_100011215053 [0,2,0,0,0,0|2,0,0]=4 13788 B16R1.4440 COCC(O)CNc1ccccc1C(C)C 7a_100000210643_100011215053 [0,2,0,0,0,0|2,0,0]=4 13789 B16R1.4440 COCC(O)COc1ccccc1C(=O)N 34a_100000192804_100011215053 [0,2,0,0,0,0|2,0,0]=4 13790 B16R1.4440 COCC(O)COc1ccccc1C(=O)N 7a_100000192804_100011215053 [0,2,0,0,0,0|2,0,0]=4 13791 B16R1.4440 COCC(O)COc1ccccc1C(=O)[O-] 7a_100015234032_100011215053 [0,2,0,0,0,0|2,0,0]=4 13792 B16R1.4440 COCC(O)COc1ccccc1C(=S)N 7a_100000745089_100011215053 [0,2,0,0,0,0|2,0,0]=4 13793 B16R1.4440 COCC(O)COc1ccccc1C(C)C 34a_100000211617_100011215053 [0,2,0,0,0,0|1,0,0]=3 13794 B16R1.4440 COCC(O)COc1ccccc1C(C)C 7a_100000211617_100011215053 [0,2,0,0,0,0|1,0,0]=3 13795 B16R1.4440 COCC(O)COc1ccccc1C(C)O 34a_200011232679_100011215053 [0,2,0,0,0,0|1,0,0]=3 13796 B16R1.4440 COCC(O)COc1ccccc1C(C)O 7a_200011232679_100011215053 [0,2,0,0,0,0|1,0,0]=3 13797 B16R1.4440 COCC(O)COc1ccccc1[C@@H](C)N 34a_100025703389_100011215053 [0,2,0,0,0,0|1,0,0]=3 13798 B16R1.4440 COCC(O)COc1ccccc1[N+](=O)[O-] 34a_100000186319_100011215053 [0,2,0,0,0,0|2,0,0]=4 13799 B16R1.4440 COCC(O)COc1ccccc1[N+](=O)[O-] 7a_100000186319_100011215053 [0,2,0,0,0,0|2,0,0]=4 13800 B16R1.4440 COCC(O)COc1cccnc1C(=O)C 34a_100000087166_100011215053 [0,2,0,0,0,0|2,0,0]=4 13801 B16R1.4440 COCC(O)COc1cccnc1C(=O)C 7a_100000087166_100011215053 [0,2,0,0,0,0|2,0,0]=4 13802 B16R1.4440 COCC(O)COc1cccnc1C(C)C 34a_100012183336_100011215053 [0,2,0,0,0,0|2,0,0]=4 13803 B16R1.4440 COCC(O)COc1cccnc1C(C)C 7a_100012183336_100011215053 [0,2,0,0,0,0|2,0,0]=4 13804 B16R1.4440 COCC(O)COc1cnccc1C(=O)C 7a_100009872882_100011215053 [0,2,0,0,0,0|2,0,0]=4 13805 B16R1.4440 COCC(O)CSc1ccccc1C(=O)C 62a_100000751169_100011215053 [0,2,0,0,0,0|1,1,0]=4 13806 B16R1.4440 COCC(O)CSc1ccccc1C(C)C 62a_100000708600_100011215053 [0,2,0,0,0,0|1,1,0]=4 13807 B16R1.4440 COCC(O)CSc1ccccc1C(C)C 62a_100011215053_100000708600 [0,2,0,0,0,0|1,1,0]=4 13808 B16R1.4440 COCC(O)CSc1ccccc1C(C)N 62a_100000181357_100011215053 [0,2,0,0,0,0|1,1,0]=4 13809 B16R1.4440 COCC(O)CSc1ccccc1C(C)N 62a_100011215053_100000181357 [0,2,0,0,0,0|1,1,0]=4 13810 B16R1.4440 COCC(O)CSc1ccccc1C(C)O 62a_100000702211_100011215053 [0,2,0,0,0,0|1,1,0]=4 13811 B16R1.4440 COCC(O)CSc1ccccc1C(C)O 62a_100011215053_100000702211 [0,2,0,0,0,0|1,1,0]=4 13812 B16R1.4440 COCC(O)CSc1ccccc1N(C)C 62a_100011215053_100011290883 [0,2,0,0,0,0|1,1,0]=4 13813 B16R1.4440 COCC(O)CSc1ccccc1N(C)C 62a_100011290883_100011215053 [0,2,0,0,0,0|1,1,0]=4 13814 B16R1.4440 COCC(O)CSc1ccccc1S(=O)C 62a_100000734199_100011215053 [0,2,0,0,0,0|0,2,0]=4 13815 B16R1.4968 COc1ccccc1OC(C)C(=O)CCO 1458a_100000188836_100000211926 [0,2,0,0,0,0|0,0,2]=4 13816 B16R1.15076 CCCC(C)COc1cccc(c1OC)Br 34a_100010234590_100011216630 [0,2,0,0,0,0|2,0,0]=4 13817 B16R1.15076 CCCC(C)COc1cccc(c1OC)Cl 34a_200009886253_100011216630 [0,2,0,0,0,0|2,0,0]=4 13818 B16R1.15076 CCCC(C)COc1cccc(c1OC)Cl 7a_200009886253_100011216630 [0,2,0,0,0,0|2,0,0]=4 13819 B16R1.15076 CNc1c(cccc1SCC(O)COC)N 62a_100010510394_100011215053 [0,2,0,0,0,0|1,1,0]=4 13820 B16R1.15076 COCC(O)CNc1cccc(c1OC)Br 34a_100011935253_100011215053 [0,2,0,0,0,0|1,0,0]=3 13821 B16R1.15076 COCC(O)CNc1cccc(c1OC)C 34a_100012017360_100011215053 [0,2,0,0,0,0|1,0,0]=3 13822 B16R1.15076 COCC(O)CNc1cccc(c1OC)Cl 34a_100000743799_100011215053 [0,2,0,0,0,0|1,0,0]=3 13823 B16R1.15076 COCC(O)CNc1cccc(c1OC)F 34a_100011215007_100011215053 [0,2,0,0,0,0|1,0,0]=3 13824 B16R1.15076 COCC(O)COc1cccc(c1C#N)Br 34a_100012180507_100011215053 [0,2,0,0,0,0|2,0,0]=4 13825 B16R1.15076 COCC(O)COc1cccc(c1C#N)Br 7a_100012180507_100011215053 [0,2,0,0,0,0|2,0,0]=4 13826 B16R1.15076 COCC(O)COc1cccc(c1C#N)C 34a_100000079363_100011215053 [0,2,0,0,0,0|2,0,0]=4 13827 B16R1.15076 COCC(O)COc1cccc(c1C#N)C 7a_100000079363_100011215053 [0,2,0,0,0,0|2,0,0]=4 13828 B16R1.15076 COCC(O)COc1cccc(c1C#N)Cl 34a_100000764475_100011215053 [0,2,0,0,0,0|2,0,0]=4 13829 B16R1.15076 COCC(O)COc1cccc(c1C#N)Cl 7a_100000764475_100011215053 [0,2,0,0,0,0|2,0,0]=4 13830 B16R1.15076 COCC(O)COc1cccc(c1C#N)F 34a_100000741147_100011215053 [0,2,0,0,0,0|2,0,0]=4 13831 B16R1.15076 COCC(O)COc1cccc(c1C#N)F 7a_100000741147_100011215053 [0,2,0,0,0,0|2,0,0]=4 13832 B16R1.15076 COCC(O)COc1cccc(c1CO)C 34a_200009874777_100011215053 [0,2,0,0,0,0|2,0,0]=4 13833 B16R1.15076 COCC(O)COc1cccc(c1CO)C 7a_200009874777_100011215053 [0,2,0,0,0,0|2,0,0]=4 13834 B16R1.15076 COCC(O)COc1cccc(c1OC)Br 34a_100010234590_100011215053 [0,2,0,0,0,0|0,0,0]=2 13835 B16R1.15076 COCC(O)COc1cccc(c1OC)Cl 34a_200009886253_100011215053 [0,2,0,0,0,0|0,0,0]=2 13836 B16R1.15076 COCC(O)COc1cccc(c1OC)Cl 7a_200009886253_100011215053 [0,2,0,0,0,0|0,0,0]=2 13837 B16R1.15076 COCC(O)COc1cccc(c1SC)C 34a_200000099257_100011215053 [0,2,0,0,0,0|0,1,0]=3 13838 B16R1.15076 COCC(O)COc1cccc(c1SC)C 7a_200000099257_100011215053 [0,2,0,0,0,0|0,1,0]=3 13839 B16R1.15076 COCC(O)COc1ccnc(c1OC)Cl 34a_100000104430_100011215053 [0,2,0,0,0,0|1,0,0]=3 13840 B16R1.15076 COCC(O)CSc1cccc(c1OC)Br 62a_100010146560_100011215053 [0,2,0,0,0,0|0,1,0]=3 13841 B16R1.15076 COCC(O)CSc1cccc(c1OC)Br 62a_100011215053_100010146560 [0,2,0,0,0,0|0,1,0]=3 13842 B16R1.15076 COCC(O)CSc1cccc(c1OC)C 62a_100010141385_100011215053 [0,2,0,0,0,0|0,1,0]=3 13843 B16R1.15076 COCC(O)CSc1cccc(c1OC)C 62a_100011215053_100010141385 [0,2,0,0,0,0|0,1,0]=3 13844 B16R1.15076 COCC(O)CSc1cccc(c1OC)Cl 62a_100010147678_100011215053 [0,2,0,0,0,0|0,1,0]=3 13845 B16R1.15076 COCC(O)CSc1cccc(c1OC)Cl 62a_100011215053_100010147678 [0,2,0,0,0,0|0,1,0]=3 13846 B16R1.15076 COCC(O)CSc1cccc(c1OC)F 62a_100009816759_100011215053 [0,2,0,0,0,0|0,1,0]=3 13847 B16R1.15076 COCC(O)CSc1cccc(c1OC)F 62a_100011215053_100009816759 [0,2,0,0,0,0|0,1,0]=3 13848 B16R1.15076 COCC(O)CSc1cccc(c1OC)N 62a_100011935253_100011215053 [0,2,0,0,0,0|0,1,0]=3 13849 B16R1.15076 COCC(O)CSc1cccc(c1OC)O 62a_100011215053_100010234590 [0,2,0,0,0,0|0,1,0]=3 13850 B16R1.15076 COCC(O)CSc1cccc(c1SC)F 62a_100011215053_200010709249 [0,2,0,0,0,0|0,2,0]=4 13851 B16R1.15076 COCC(O)CSc1cccc(c1SC)F 62a_200010709249_100011215053 [0,2,0,0,0,0|0,2,0]=4 13852 B16R1.15076 COCC(O)CSc1ccnc(c1OC)C 62a_100000685116_100011215053 [0,2,0,0,0,0|1,1,0]=4 13853 B16R1.15076 COCC(O)CSc1ccnc(c1OC)C 62a_100011215053_100000685116 [0,2,0,0,0,0|1,1,0]=4 13854 B16R1.15076 COCC(O)CSc1ccnc(c1OC)Cl 62a_100010068014_100011215053 [0,2,0,0,0,0|1,1,0]=4 13855 B16R1.15076 COCC(O)CSc1ccnc(c1OC)Cl 62a_100011215053_100010068014 [0,2,0,0,0,0|1,1,0]=4 13856 B16R1.15076 COCC(O)CSc1ccnc(c1OC)N 62a_100009880012_100011215053 [0,2,0,0,0,0|1,1,0]=4 13857 B16R1.15076 COCC(O)CSc1ccnc(c1OC)N 62a_100011215053_100009880012 [0,2,0,0,0,0|1,1,0]=4 13858 B16R1.15076 COCC(O)CSc1cncc(c1OC)N 62a_100011215053_100012359933 [0,2,0,0,0,0|1,1,0]=4 13859 B16R1.15076 COCC(O)CSc1cncc(c1OC)N 62a_100012359933_100011215053 [0,2,0,0,0,0|1,1,0]=4 13860 B16R1.15076 COCC(O)CSc1nccc(c1OC)N 62a_100000104429_100011215053 [0,2,0,0,0,0|1,1,0]=4 13861 B16R1.15076 COCC(O)CSc1nccc(c1OC)N 62a_100011215053_100000104429 [0,2,0,0,0,0|1,1,0]=4 13862 B16R1.15076 COCC(O)CSc1nccc(c1OC)O 62a_100011215053_100000104430 [0,2,0,0,0,0|1,1,0]=4 13863 B16R1.15076 COc1c(cccc1NC[C@@H](O)CC#N)Cl 2230a_100000743799_100000001066 [0,2,0,0,0,0|2,0,0]=4 13864 B16R1.15076 COc1c(cccc1OCC(=O)NCO)Br 34a_100010234590_100000185155 [0,2,0,0,0,0|0,0,2]=4 13865 B16R1.15076 COc1c(cccc1OCC(=O)NCO)Cl 34a_200009886253_100000185155 [0,2,0,0,0,0|0,0,2]=4 13866 B16R1.15076 COc1c(cccc1OCC(=O)NCO)Cl 7a_200009886253_100000185155 [0,2,0,0,0,0|0,0,2]=4 13867 B16R1.15076 COc1c(cccc1OC[C@@H](O)CC#N)Cl 7a_200009886253_100000001066 [0,2,0,0,0,0|1,0,0]=3 13868 B16R1.15076 COc1c(cccc1SC[C@@H](O)CC#N)Br 62a_100000001066_100010146560 [0,2,0,0,0,0|1,1,0]=4 13869 B16R1.15076 COc1c(cccc1SC[C@@H](O)CC#N)Br 62a_100010146560_100000001066 [0,2,0,0,0,0|1,1,0]=4 13870 B16R1.15076 COc1c(cccc1SC[C@@H](O)CC#N)C 62a_100000001066_100010141385 [0,2,0,0,0,0|1,1,0]=4 13871 B16R1.15076 COc1c(cccc1SC[C@@H](O)CC#N)C 62a_100010141385_100000001066 [0,2,0,0,0,0|1,1,0]=4 13872 B16R1.15076 COc1c(cccc1SC[C@@H](O)CC#N)Cl 62a_100000001066_100010147678 [0,2,0,0,0,0|1,1,0]=4 13873 B16R1.15076 COc1c(cccc1SC[C@@H](O)CC#N)Cl 62a_100010147678_100000001066 [0,2,0,0,0,0|1,1,0]=4 13874 B16R1.15076 COc1c(cccc1SC[C@@H](O)CC#N)F 62a_100000001066_100009816759 [0,2,0,0,0,0|1,1,0]=4 13875 B16R1.15076 COc1c(cccc1SC[C@@H](O)CC#N)F 62a_100009816759_100000001066 [0,2,0,0,0,0|1,1,0]=4 13876 B16R1.15076 COc1c(cccc1SC[C@@H](O)CC#N)N 62a_100011935253_100000001066 [0,2,0,0,0,0|1,1,0]=4 13877 B16R1.15076 COc1c(cccc1SC[C@@H](O)CC#N)O 62a_100000001066_100010234590 [0,2,0,0,0,0|1,1,0]=4 13878 B16R1.15076 CSc1c(cccc1OC[C@@H](O)CC#N)C 7a_200000099257_100000001066 [0,2,0,0,0,0|1,1,0]=4 13879 B16R1.69463 CCCC(C)COc1c(cccc1OC)Br 34a_100000686866_100011216630 [0,2,0,0,0,0|2,0,0]=4 13880 B16R1.69463 CCCC(C)COc1c(cccc1OC)C 34a_100011219253_100011216630 [0,2,0,0,0,0|2,0,0]=4 13881 B16R1.69463 CCCC(C)COc1c(cccc1OC)C 7a_100011219253_100011216630 [0,2,0,0,0,0|2,0,0]=4 13882 B16R1.69463 CCCC(C)COc1c(cccc1OC)Cl 34a_100009851661_100011216630 [0,2,0,0,0,0|2,0,0]=4 13883 B16R1.69463 CCCC(C)COc1c(cccc1OC)Cl 7a_100009851661_100011216630 [0,2,0,0,0,0|2,0,0]=4 13884 B16R1.69463 CCCC(C)COc1c(cccc1OC)F 34a_100000036725_100011216630 [0,2,0,0,0,0|2,0,0]=4 13885 B16R1.69463 CCCC(C)COc1c(cccc1OC)F 7a_100000036725_100011216630 [0,2,0,0,0,0|2,0,0]=4 13886 B16R1.69463 CCCC(C)COc1c(cccc1OC)N 34a_100000123586_100011216630 [0,2,0,0,0,0|2,0,0]=4 13887 B16R1.69463 CCc1cccc(c1NCC(O)COC)C 34a_100000210048_100011215053 [0,2,0,0,0,0|2,0,0]=4 13888 B16R1.69463 CCc1cccc(c1NCC(O)COC)C 7a_100000210048_100011215053 [0,2,0,0,0,0|2,0,0]=4 13889 B16R1.69463 CCc1cccc(c1OCC(O)COC)Br 34a_200010001580_100011215053 [0,2,0,0,0,0|1,0,0]=3 13890 B16R1.69463 CCc1cccc(c1OCC(O)COC)Br 7a_200010001580_100011215053 [0,2,0,0,0,0|1,0,0]=3 13891 B16R1.69463 CCc1cccc(c1OCC(O)COC)C 34a_100000034007_100011215053 [0,2,0,0,0,0|1,0,0]=3 13892 B16R1.69463 CCc1cccc(c1OCC(O)COC)C 7a_100000034007_100011215053 [0,2,0,0,0,0|1,0,0]=3 13893 B16R1.69463 CCc1cccc(c1OC[C@@H](O)CC#N)Br 7a_200010001580_100000001066 [0,2,0,0,0,0|2,0,0]=4 13894 B16R1.69463 CCc1cccc(c1OC[C@@H](O)CC#N)C 7a_100000034007_100000001066 [0,2,0,0,0,0|2,0,0]=4 13895 B16R1.69463 CCc1cccc(c1SCC(O)COC)C 62a_100000036235_100011215053 [0,2,0,0,0,0|1,1,0]=4 13896 B16R1.69463 CCc1cccc(c1SCC(O)COC)C 62a_100011215053_100000036235 [0,2,0,0,0,0|1,1,0]=4 13897 B16R1.69463 CCc1occc(=O)c1OCC(O)COC 34a_100000033269_100011215053 [0,2,0,0,0,0|2,0,0]=4 13898 B16R1.69463 COCC(O)CNc1c(cccc1OC)Br 34a_100000708083_100011215053 [0,2,0,0,0,0|1,0,0]=3 13899 B16R1.69463 COCC(O)CNc1c(cccc1OC)C 34a_100000758225_100011215053 [0,2,0,0,0,0|1,0,0]=3 13900 B16R1.69463 COCC(O)CNc1c(cccc1OC)Cl 34a_100011309317_100011215053 [0,2,0,0,0,0|1,0,0]=3 13901 B16R1.69463 COCC(O)CNc1c(cccc1OC)F 34a_100000686744_100011215053 [0,2,0,0,0,0|1,0,0]=3 13902 B16R1.69463 COCC(O)CNc1c(cccc1OC)O 34a_100012022766_100011215053 [0,2,0,0,0,0|1,0,0]=3 13903 B16R1.69463 COCC(O)COc1c(cccc1C#N)Br 34a_100009817103_100011215053 [0,2,0,0,0,0|2,0,0]=4 13904 B16R1.69463 COCC(O)COc1c(cccc1C#N)C 34a_100011659161_100011215053 [0,2,0,0,0,0|2,0,0]=4 13905 B16R1.69463 COCC(O)COc1c(cccc1C#N)C 7a_100011659161_100011215053 [0,2,0,0,0,0|2,0,0]=4 13906 B16R1.69463 COCC(O)COc1c(cccc1C#N)Cl 34a_100009866432_100011215053 [0,2,0,0,0,0|2,0,0]=4 13907 B16R1.69463 COCC(O)COc1c(cccc1C#N)Cl 7a_100009866432_100011215053 [0,2,0,0,0,0|2,0,0]=4 13908 B16R1.69463 COCC(O)COc1c(cccc1C#N)F 34a_100000117915_100011215053 [0,2,0,0,0,0|2,0,0]=4 13909 B16R1.69463 COCC(O)COc1c(cccc1C#N)F 7a_100000117915_100011215053 [0,2,0,0,0,0|2,0,0]=4 13910 B16R1.69463 COCC(O)COc1c(cccc1CN)C 34a_100020639391_100011215053 [0,2,0,0,0,0|2,0,0]=4 13911 B16R1.69463 COCC(O)COc1c(cccc1CO)F 34a_100011997349_100011215053 [0,2,0,0,0,0|2,0,0]=4 13912 B16R1.69463 COCC(O)COc1c(cccc1CO)F 7a_100011997349_100011215053 [0,2,0,0,0,0|2,0,0]=4 13913 B16R1.69463 COCC(O)COc1c(cccc1OC)Br 34a_100000686866_100011215053 [0,2,0,0,0,0|0,0,0]=2 13914 B16R1.69463 COCC(O)COc1c(cccc1OC)C 34a_100011219253_100011215053 [0,2,0,0,0,0|0,0,0]=2 13915 B16R1.69463 COCC(O)COc1c(cccc1OC)C 7a_100011219253_100011215053 [0,2,0,0,0,0|0,0,0]=2 13916 B16R1.69463 COCC(O)COc1c(cccc1OC)Cl 34a_100009851661_100011215053 [0,2,0,0,0,0|0,0,0]=2 13917 B16R1.69463 COCC(O)COc1c(cccc1OC)Cl 7a_100009851661_100011215053 [0,2,0,0,0,0|0,0,0]=2 13918 B16R1.69463 COCC(O)COc1c(cccc1OC)F 34a_100000036725_100011215053 [0,2,0,0,0,0|0,0,0]=2 13919 B16R1.69463 COCC(O)COc1c(cccc1OC)F 7a_100000036725_100011215053 [0,2,0,0,0,0|0,0,0]=2 13920 B16R1.69463 COCC(O)COc1c(cccc1OC)N 34a_100000123586_100011215053 [0,2,0,0,0,0|0,0,0]=2 13921 B16R1.69463 COCC(O)CSc1c(cccc1OC)Br 62a_100010131421_100011215053 [0,2,0,0,0,0|0,1,0]=3 13922 B16R1.69463 COCC(O)CSc1c(cccc1OC)Br 62a_100011215053_100010131421 [0,2,0,0,0,0|0,1,0]=3 13923 B16R1.69463 COCC(O)CSc1c(cccc1OC)C 62a_100010191535_100011215053 [0,2,0,0,0,0|0,1,0]=3 13924 B16R1.69463 COCC(O)CSc1c(cccc1OC)C 62a_100011215053_100010191535 [0,2,0,0,0,0|0,1,0]=3 13925 B16R1.69463 COCC(O)CSc1c(cccc1OC)F 62a_100000703912_100011215053 [0,2,0,0,0,0|0,1,0]=3 13926 B16R1.69463 COCC(O)CSc1c(cccc1OC)F 62a_100011215053_100000703912 [0,2,0,0,0,0|0,1,0]=3 13927 B16R1.69463 COCC(O)CSc1c(cccc1OC)N 62a_100000703447_100011215053 [0,2,0,0,0,0|0,1,0]=3 13928 B16R1.69463 COCC(O)CSc1c(cccc1OC)N 62a_100011215053_100000703447 [0,2,0,0,0,0|0,1,0]=3 13929 B16R1.69463 COCC(O)CSc1c(cccc1OC)O 62a_100011215053_100010202623 [0,2,0,0,0,0|0,1,0]=3 13930 B16R1.69463 COCC(O)CSc1c(ccnc1Cl)OC 62a_100010154655_100011215053 [0,2,0,0,0,0|1,1,0]=4 13931 B16R1.69463 COCC(O)CSc1c(ccnc1Cl)OC 62a_100011215053_100010154655 [0,2,0,0,0,0|1,1,0]=4 13932 B16R1.69463 COCC(O)CSc1c(ccnc1OC)C 62a_100011215053_100012353928 [0,2,0,0,0,0|1,1,0]=4 13933 B16R1.69463 COCC(O)CSc1c(ccnc1OC)C 62a_100012353928_100011215053 [0,2,0,0,0,0|1,1,0]=4 13934 B16R1.69463 COCC(O)CSc1c(ccnc1OC)N 62a_100010243811_100011215053 [0,2,0,0,0,0|1,1,0]=4 13935 B16R1.69463 COCC(O)CSc1c(ccnc1OC)N 62a_100011215053_100010243811 [0,2,0,0,0,0|1,1,0]=4 13936 B16R1.69463 COc1cccc(c1NC[C@@H](O)CC#N)C 2230a_100000758225_100000001066 [0,2,0,0,0,0|2,0,0]=4 13937 B16R1.69463 COc1cccc(c1OCC(=O)NCO)Br 34a_100000686866_100000185155 [0,2,0,0,0,0|0,0,2]=4 13938 B16R1.69463 COc1cccc(c1OCC(=O)NCO)C 34a_100011219253_100000185155 [0,2,0,0,0,0|0,0,2]=4 13939 B16R1.69463 COc1cccc(c1OCC(=O)NCO)C 7a_100011219253_100000185155 [0,2,0,0,0,0|0,0,2]=4 13940 B16R1.69463 COc1cccc(c1OCC(=O)NCO)Cl 34a_100009851661_100000185155 [0,2,0,0,0,0|0,0,2]=4 13941 B16R1.69463 COc1cccc(c1OCC(=O)NCO)Cl 7a_100009851661_100000185155 [0,2,0,0,0,0|0,0,2]=4 13942 B16R1.69463 COc1cccc(c1OCC(=O)NCO)F 34a_100000036725_100000185155 [0,2,0,0,0,0|0,0,2]=4 13943 B16R1.69463 COc1cccc(c1OCC(=O)NCO)F 7a_100000036725_100000185155 [0,2,0,0,0,0|0,0,2]=4 13944 B16R1.69463 COc1cccc(c1OCC(=O)NCO)N 34a_100000123586_100000185155 [0,2,0,0,0,0|0,0,2]=4 13945 B16R1.69463 COc1cccc(c1OC[C@@H](O)CC#N)C 7a_100011219253_100000001066 [0,2,0,0,0,0|1,0,0]=3 13946 B16R1.69463 COc1cccc(c1OC[C@@H](O)CC#N)Cl 7a_100009851661_100000001066 [0,2,0,0,0,0|1,0,0]=3 13947 B16R1.69463 COc1cccc(c1OC[C@@H](O)CC#N)F 7a_100000036725_100000001066 [0,2,0,0,0,0|1,0,0]=3 13948 B16R1.69463 COc1cccc(c1SC[C@@H](O)CC#N)Br 62a_100000001066_100010131421 [0,2,0,0,0,0|1,1,0]=4 13949 B16R1.69463 COc1cccc(c1SC[C@@H](O)CC#N)Br 62a_100010131421_100000001066 [0,2,0,0,0,0|1,1,0]=4 13950 B16R1.69463 COc1cccc(c1SC[C@@H](O)CC#N)C 62a_100000001066_100010191535 [0,2,0,0,0,0|1,1,0]=4 13951 B16R1.69463 COc1cccc(c1SC[C@@H](O)CC#N)C 62a_100010191535_100000001066 [0,2,0,0,0,0|1,1,0]=4 13952 B16R1.69463 COc1cccc(c1SC[C@@H](O)CC#N)F 62a_100000001066_100000703912 [0,2,0,0,0,0|1,1,0]=4 13953 B16R1.69463 COc1cccc(c1SC[C@@H](O)CC#N)F 62a_100000703912_100000001066 [0,2,0,0,0,0|1,1,0]=4 13954 B16R1.69463 COc1cccc(c1SC[C@@H](O)CC#N)N 62a_100000001066_100000703447 [0,2,0,0,0,0|1,1,0]=4 13955 B16R1.69463 COc1cccc(c1SC[C@@H](O)CC#N)N 62a_100000703447_100000001066 [0,2,0,0,0,0|1,1,0]=4 13956 B16R1.69463 COc1cccc(c1SC[C@@H](O)CC#N)O 62a_100000001066_100010202623 [0,2,0,0,0,0|1,1,0]=4 13957 B16R1.874 CC(C)c1ccccc1N(C)CC(O)CO 2230a_106256037369_100011219619 [0,2,0,0,0,0|2,0,0]=4 13958 B16R1.874 CC(C)c1ccccc1N(C)CC(O)CO 34a_106256037369_100011219619 [0,2,0,0,0,0|2,0,0]=4 13959 B16R1.874 CC(C)c1ccccc1N(C)C[C@@H](O)CO 2230a_106256037369_100009815848 [0,2,0,0,0,0|2,0,0]=4 13960 B16R1.874 CC(C)c1ccccc1N(C)C[C@@H](O)CO 34a_106256037369_100009815848 [0,2,0,0,0,0|2,0,0]=4 13961 B16R1.1138 C=C(C)c1cc(ccc1NCC(O)CO)F 34a_100009961556_100011219619 [0,2,0,0,0,0|2,0,0]=4 13962 B16R1.1138 C=C(C)c1cc(ccc1NC[C@@H](O)CO)F 34a_100009961556_100009815848 [0,2,0,0,0,0|2,0,0]=4 13963 B16R1.1138 CC(=O)c1cc(ccc1OCC(O)CO)Br 34a_100000212127_100011219619 [0,2,0,0,0,0|1,0,0]=3 13964 B16R1.1138 CC(=O)c1cc(ccc1OCC(O)CO)Br 7a_100000212127_100011219619 [0,2,0,0,0,0|1,0,0]=3 13965 B16R1.1138 CC(=O)c1cc(ccc1OCC(O)CO)C 34a_100000195442_100011219619 [0,2,0,0,0,0|1,0,0]=3 13966 B16R1.1138 CC(=O)c1cc(ccc1OCC(O)CO)C 7a_100000195442_100011219619 [0,2,0,0,0,0|1,0,0]=3 13967 B16R1.1138 CC(=O)c1cc(ccc1OCC(O)CO)Cl 34a_100000185566_100011219619 [0,2,0,0,0,0|1,0,0]=3 13968 B16R1.1138 CC(=O)c1cc(ccc1OCC(O)CO)Cl 7a_100000185566_100011219619 [0,2,0,0,0,0|1,0,0]=3 13969 B16R1.1138 CC(=O)c1cc(ccc1OCC(O)CO)F 7a_100000182812_100011219619 [0,2,0,0,0,0|1,0,0]=3 13970 B16R1.1138 CC(=O)c1cc(ccc1OCC(O)CO)I 7a_100010712555_100011219619 [0,2,0,0,0,0|1,0,0]=3 13971 B16R1.1138 CC(=O)c1cc(ccc1OCC(O)CO)N 34a_100011218865_100011219619 [0,2,0,0,0,0|1,0,0]=3 13972 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](C)CO)Br 34a_100000212127_100000059175 [0,2,0,0,0,0|2,0,0]=4 13973 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](C)CO)Br 7a_100000212127_100000059175 [0,2,0,0,0,0|2,0,0]=4 13974 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](C)CO)C 34a_100000195442_100000059175 [0,2,0,0,0,0|2,0,0]=4 13975 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](C)CO)C 7a_100000195442_100000059175 [0,2,0,0,0,0|2,0,0]=4 13976 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](C)CO)Cl 34a_100000185566_100000059175 [0,2,0,0,0,0|2,0,0]=4 13977 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](C)CO)Cl 7a_100000185566_100000059175 [0,2,0,0,0,0|2,0,0]=4 13978 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](C)CO)F 7a_100000182812_100000059175 [0,2,0,0,0,0|2,0,0]=4 13979 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](C)CO)I 7a_100010712555_100000059175 [0,2,0,0,0,0|2,0,0]=4 13980 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](C)CO)N 34a_100011218865_100000059175 [0,2,0,0,0,0|2,0,0]=4 13981 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CF)Br 34a_100000212127_100015614560 [0,2,0,0,0,0|2,0,0]=4 13982 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CF)Br 7a_100000212127_100015614560 [0,2,0,0,0,0|2,0,0]=4 13983 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CF)C 34a_100000195442_100015614560 [0,2,0,0,0,0|2,0,0]=4 13984 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CF)C 7a_100000195442_100015614560 [0,2,0,0,0,0|2,0,0]=4 13985 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CF)Cl 34a_100000185566_100015614560 [0,2,0,0,0,0|2,0,0]=4 13986 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CF)Cl 7a_100000185566_100015614560 [0,2,0,0,0,0|2,0,0]=4 13987 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CF)F 7a_100000182812_100015614560 [0,2,0,0,0,0|2,0,0]=4 13988 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CF)I 7a_100010712555_100015614560 [0,2,0,0,0,0|2,0,0]=4 13989 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CF)N 34a_100011218865_100015614560 [0,2,0,0,0,0|2,0,0]=4 13990 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CO)Br 34a_100000212127_100009815848 [0,2,0,0,0,0|1,0,0]=3 13991 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CO)Br 7a_100000212127_100009815848 [0,2,0,0,0,0|1,0,0]=3 13992 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CO)C 34a_100000195442_100009815848 [0,2,0,0,0,0|1,0,0]=3 13993 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CO)C 7a_100000195442_100009815848 [0,2,0,0,0,0|1,0,0]=3 13994 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CO)Cl 34a_100000185566_100009815848 [0,2,0,0,0,0|1,0,0]=3 13995 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CO)Cl 7a_100000185566_100009815848 [0,2,0,0,0,0|1,0,0]=3 13996 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CO)F 7a_100000182812_100009815848 [0,2,0,0,0,0|1,0,0]=3 13997 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CO)I 7a_100010712555_100009815848 [0,2,0,0,0,0|1,0,0]=3 13998 B16R1.1138 CC(=O)c1cc(ccc1OC[C@@H](O)CO)N 34a_100011218865_100009815848 [0,2,0,0,0,0|1,0,0]=3 13999 B16R1.1138 CC(=O)c1cc(ccc1SCC(O)CO)Br 62a_100012349576_100011219619 [0,2,0,0,0,0|1,1,0]=4 14000 B16R1.1138 CC(=O)c1cc(ccc1SCC(O)CO)C 62a_100011219619_100012361225 [0,2,0,0,0,0|1,1,0]=4 14001 B16R1.1138 CC(=O)c1cc(ccc1SCC(O)CO)C 62a_100012361225_100011219619 [0,2,0,0,0,0|1,1,0]=4 14002 B16R1.1138 CC(=O)c1cc(ccc1SCC(O)CO)F 62a_100011219619_100010200798 [0,2,0,0,0,0|1,1,0]=4 14003 B16R1.1138 CC(=O)c1cc(ccc1SCC(O)CO)F 62a_100012353695_100011219619 [0,2,0,0,0,0|1,1,0]=4 14004 B16R1.1138 CC(=O)c1cc(ccc1SCC(O)CO)N 62a_100012349454_100011219619 [0,2,0,0,0,0|1,1,0]=4 14005 B16R1.1138 CC(=O)c1cc(ccc1SC[C@@H](O)CO)Br 62a_100012349576_100009815848 [0,2,0,0,0,0|1,1,0]=4 14006 B16R1.1138 CC(=O)c1cc(ccc1SC[C@@H](O)CO)C 62a_100009815848_100012361225 [0,2,0,0,0,0|1,1,0]=4 14007 B16R1.1138 CC(=O)c1cc(ccc1SC[C@@H](O)CO)C 62a_100012361225_100009815848 [0,2,0,0,0,0|1,1,0]=4 14008 B16R1.1138 CC(=O)c1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100010200798 [0,2,0,0,0,0|1,1,0]=4 14009 B16R1.1138 CC(=O)c1cc(ccc1SC[C@@H](O)CO)F 62a_100012353695_100009815848 [0,2,0,0,0,0|1,1,0]=4 14010 B16R1.1138 CC(=O)c1cc(ccc1SC[C@@H](O)CO)N 62a_100012349454_100009815848 [0,2,0,0,0,0|1,1,0]=4 14011 B16R1.1138 CC(C)c1cc(ccc1NCC(O)CO)Br 2230a_100000694223_100011219619 [0,2,0,0,0,0|2,0,0]=4 14012 B16R1.1138 CC(C)c1cc(ccc1NCC(O)CO)Br 34a_100000694223_100011219619 [0,2,0,0,0,0|2,0,0]=4 14013 B16R1.1138 CC(C)c1cc(ccc1NCC(O)CO)Br 7a_100000694223_100011219619 [0,2,0,0,0,0|2,0,0]=4 14014 B16R1.1138 CC(C)c1cc(ccc1NCC(O)CO)F 2230a_100011941472_100011219619 [0,2,0,0,0,0|2,0,0]=4 14015 B16R1.1138 CC(C)c1cc(ccc1NCC(O)CO)F 34a_100011941472_100011219619 [0,2,0,0,0,0|2,0,0]=4 14016 B16R1.1138 CC(C)c1cc(ccc1NCC(O)CO)F 7a_100011941472_100011219619 [0,2,0,0,0,0|2,0,0]=4 14017 B16R1.1138 CC(C)c1cc(ccc1NC[C@@H](O)CO)Br 2230a_100000694223_100009815848 [0,2,0,0,0,0|2,0,0]=4 14018 B16R1.1138 CC(C)c1cc(ccc1NC[C@@H](O)CO)Br 34a_100000694223_100009815848 [0,2,0,0,0,0|2,0,0]=4 14019 B16R1.1138 CC(C)c1cc(ccc1NC[C@@H](O)CO)Br 7a_100000694223_100009815848 [0,2,0,0,0,0|2,0,0]=4 14020 B16R1.1138 CC(C)c1cc(ccc1NC[C@@H](O)CO)F 2230a_100011941472_100009815848 [0,2,0,0,0,0|2,0,0]=4 14021 B16R1.1138 CC(C)c1cc(ccc1NC[C@@H](O)CO)F 34a_100011941472_100009815848 [0,2,0,0,0,0|2,0,0]=4 14022 B16R1.1138 CC(C)c1cc(ccc1NC[C@@H](O)CO)F 7a_100011941472_100009815848 [0,2,0,0,0,0|2,0,0]=4 14023 B16R1.1138 CC(C)c1cc(ccc1OCC(O)CO)Br 34a_100000691460_100011219619 [0,2,0,0,0,0|1,0,0]=3 14024 B16R1.1138 CC(C)c1cc(ccc1OCC(O)CO)Br 7a_100000691460_100011219619 [0,2,0,0,0,0|1,0,0]=3 14025 B16R1.1138 CC(C)c1cc(ccc1OC[C@@H](C)CO)Br 34a_100000691460_100000059175 [0,2,0,0,0,0|2,0,0]=4 14026 B16R1.1138 CC(C)c1cc(ccc1OC[C@@H](C)CO)Br 7a_100000691460_100000059175 [0,2,0,0,0,0|2,0,0]=4 14027 B16R1.1138 CC(C)c1cc(ccc1OC[C@@H](O)CF)Br 34a_100000691460_100015614560 [0,2,0,0,0,0|2,0,0]=4 14028 B16R1.1138 CC(C)c1cc(ccc1OC[C@@H](O)CF)Br 7a_100000691460_100015614560 [0,2,0,0,0,0|2,0,0]=4 14029 B16R1.1138 CC(C)c1cc(ccc1OC[C@@H](O)CO)Br 34a_100000691460_100009815848 [0,2,0,0,0,0|1,0,0]=3 14030 B16R1.1138 CC(C)c1cc(ccc1OC[C@@H](O)CO)Br 7a_100000691460_100009815848 [0,2,0,0,0,0|1,0,0]=3 14031 B16R1.1138 CC(C)c1cc(ccc1SCC(O)CO)Br 62a_100010244561_100011219619 [0,2,0,0,0,0|1,1,0]=4 14032 B16R1.1138 CC(C)c1cc(ccc1SCC(O)CO)Br 62a_100011219619_100010244561 [0,2,0,0,0,0|1,1,0]=4 14033 B16R1.1138 CC(C)c1cc(ccc1SC[C@@H](O)CO)Br 62a_100009815848_100010244561 [0,2,0,0,0,0|1,1,0]=4 14034 B16R1.1138 CC(C)c1cc(ccc1SC[C@@H](O)CO)Br 62a_100010244561_100009815848 [0,2,0,0,0,0|1,1,0]=4 14035 B16R1.1138 CC(N)c1cc(ccc1SCC(O)CO)F 62a_100011219619_100012343209 [0,2,0,0,0,0|1,1,0]=4 14036 B16R1.1138 CC(N)c1cc(ccc1SCC(O)CO)F 62a_100012343209_100011219619 [0,2,0,0,0,0|1,1,0]=4 14037 B16R1.1138 CC(N)c1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100012343209 [0,2,0,0,0,0|1,1,0]=4 14038 B16R1.1138 CC(N)c1cc(ccc1SC[C@@H](O)CO)F 62a_100012343209_100009815848 [0,2,0,0,0,0|1,1,0]=4 14039 B16R1.1138 CC(O)c1cc(ccc1OCC(O)CO)F 34a_200011305312_100011219619 [0,2,0,0,0,0|1,0,0]=3 14040 B16R1.1138 CC(O)c1cc(ccc1OCC(O)CO)F 7a_200011305312_100011219619 [0,2,0,0,0,0|1,0,0]=3 14041 B16R1.1138 CC(O)c1cc(ccc1OC[C@@H](C)CO)F 34a_200011305312_100000059175 [0,2,0,0,0,0|2,0,0]=4 14042 B16R1.1138 CC(O)c1cc(ccc1OC[C@@H](C)CO)F 7a_200011305312_100000059175 [0,2,0,0,0,0|2,0,0]=4 14043 B16R1.1138 CC(O)c1cc(ccc1OC[C@@H](O)CF)F 34a_200011305312_100015614560 [0,2,0,0,0,0|2,0,0]=4 14044 B16R1.1138 CC(O)c1cc(ccc1OC[C@@H](O)CF)F 7a_200011305312_100015614560 [0,2,0,0,0,0|2,0,0]=4 14045 B16R1.1138 CC(O)c1cc(ccc1OC[C@@H](O)CO)F 34a_200011305312_100009815848 [0,2,0,0,0,0|1,0,0]=3 14046 B16R1.1138 CC(O)c1cc(ccc1OC[C@@H](O)CO)F 7a_200011305312_100009815848 [0,2,0,0,0,0|1,0,0]=3 14047 B16R1.1138 CCC(O)COc1ccc(cc1C(=O)C)Br 34a_100000212127_100011218378 [0,2,0,0,0,0|2,0,0]=4 14048 B16R1.1138 CCC(O)COc1ccc(cc1C(=O)C)Br 7a_100000212127_100011218378 [0,2,0,0,0,0|2,0,0]=4 14049 B16R1.1138 CCC(O)COc1ccc(cc1C(=O)C)C 34a_100000195442_100011218378 [0,2,0,0,0,0|2,0,0]=4 14050 B16R1.1138 CCC(O)COc1ccc(cc1C(=O)C)C 7a_100000195442_100011218378 [0,2,0,0,0,0|2,0,0]=4 14051 B16R1.1138 CCC(O)COc1ccc(cc1C(=O)C)Cl 34a_100000185566_100011218378 [0,2,0,0,0,0|2,0,0]=4 14052 B16R1.1138 CCC(O)COc1ccc(cc1C(=O)C)Cl 7a_100000185566_100011218378 [0,2,0,0,0,0|2,0,0]=4 14053 B16R1.1138 CCC(O)COc1ccc(cc1C(=O)C)F 7a_100000182812_100011218378 [0,2,0,0,0,0|2,0,0]=4 14054 B16R1.1138 CCC(O)COc1ccc(cc1C(=O)C)I 7a_100010712555_100011218378 [0,2,0,0,0,0|2,0,0]=4 14055 B16R1.1138 CCC(O)COc1ccc(cc1C(=O)C)N 34a_100011218865_100011218378 [0,2,0,0,0,0|2,0,0]=4 14056 B16R1.1138 CCC(O)COc1ccc(cc1C(C)C)Br 34a_100000691460_100011218378 [0,2,0,0,0,0|2,0,0]=4 14057 B16R1.1138 CCC(O)COc1ccc(cc1C(C)C)Br 7a_100000691460_100011218378 [0,2,0,0,0,0|2,0,0]=4 14058 B16R1.1138 CCC(O)COc1ccc(cc1C(C)O)F 34a_200011305312_100011218378 [0,2,0,0,0,0|2,0,0]=4 14059 B16R1.1138 CCC(O)COc1ccc(cc1C(C)O)F 7a_200011305312_100011218378 [0,2,0,0,0,0|2,0,0]=4 14060 B16R1.1138 CCC(O)COc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_100011218378 [0,2,0,0,0,0|2,0,0]=4 14061 B16R1.1138 CCC(O)COc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_100011218378 [0,2,0,0,0,0|2,0,0]=4 14062 B16R1.1138 CCC(O)COc1ccc(cc1[C@H](C)N)F 34a_100160469477_100011218378 [0,2,0,0,0,0|2,0,0]=4 14063 B16R1.1138 CCC(O)COc1ccc(cc1[C@H](C)N)F 7a_100160469477_100011218378 [0,2,0,0,0,0|2,0,0]=4 14064 B16R1.1138 CN(C)c1cc(ccc1SCC(O)CO)O 62a_100011219619_200010083878 [0,2,0,0,0,0|1,1,0]=4 14065 B16R1.1138 CN(C)c1cc(ccc1SC[C@@H](O)CO)O 62a_100009815848_200010083878 [0,2,0,0,0,0|1,1,0]=4 14066 B16R1.1138 C[C@@H](CO)COc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_100000059175 [0,2,0,0,0,0|2,0,0]=4 14067 B16R1.1138 C[C@@H](CO)COc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_100000059175 [0,2,0,0,0,0|2,0,0]=4 14068 B16R1.1138 C[C@@H](CO)COc1ccc(cc1[C@H](C)N)F 34a_100160469477_100000059175 [0,2,0,0,0,0|2,0,0]=4 14069 B16R1.1138 C[C@@H](CO)COc1ccc(cc1[C@H](C)N)F 7a_100160469477_100000059175 [0,2,0,0,0,0|2,0,0]=4 14070 B16R1.1138 C[C@@H](N)c1cc(ccc1OCC(O)CO)Cl 34a_100011853016_100011219619 [0,2,0,0,0,0|1,0,0]=3 14071 B16R1.1138 C[C@@H](N)c1cc(ccc1OCC(O)CO)Cl 7a_100011853016_100011219619 [0,2,0,0,0,0|1,0,0]=3 14072 B16R1.1138 C[C@@H](N)c1cc(ccc1OC[C@@H](O)CF)Cl 34a_100011853016_100015614560 [0,2,0,0,0,0|2,0,0]=4 14073 B16R1.1138 C[C@@H](N)c1cc(ccc1OC[C@@H](O)CF)Cl 7a_100011853016_100015614560 [0,2,0,0,0,0|2,0,0]=4 14074 B16R1.1138 C[C@@H](N)c1cc(ccc1OC[C@@H](O)CO)Cl 34a_100011853016_100009815848 [0,2,0,0,0,0|1,0,0]=3 14075 B16R1.1138 C[C@@H](N)c1cc(ccc1OC[C@@H](O)CO)Cl 7a_100011853016_100009815848 [0,2,0,0,0,0|1,0,0]=3 14076 B16R1.1138 C[C@H](N)c1cc(ccc1OCC(O)CO)F 34a_100160469477_100011219619 [0,2,0,0,0,0|1,0,0]=3 14077 B16R1.1138 C[C@H](N)c1cc(ccc1OCC(O)CO)F 7a_100160469477_100011219619 [0,2,0,0,0,0|1,0,0]=3 14078 B16R1.1138 C[C@H](N)c1cc(ccc1OC[C@@H](O)CF)F 34a_100160469477_100015614560 [0,2,0,0,0,0|2,0,0]=4 14079 B16R1.1138 C[C@H](N)c1cc(ccc1OC[C@@H](O)CF)F 7a_100160469477_100015614560 [0,2,0,0,0,0|2,0,0]=4 14080 B16R1.1138 C[C@H](N)c1cc(ccc1OC[C@@H](O)CO)F 34a_100160469477_100009815848 [0,2,0,0,0,0|1,0,0]=3 14081 B16R1.1138 C[C@H](N)c1cc(ccc1OC[C@@H](O)CO)F 7a_100160469477_100009815848 [0,2,0,0,0,0|1,0,0]=3 14082 B16R1.1138 C[C@H](O)c1cc(ccc1SCC(O)CO)F 62a_100011219619_100134768474 [0,2,0,0,0,0|1,1,0]=4 14083 B16R1.1138 C[C@H](O)c1cc(ccc1SCC(O)CO)F 62a_100134768474_100011219619 [0,2,0,0,0,0|1,1,0]=4 14084 B16R1.1138 C[C@H](O)c1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100134768474 [0,2,0,0,0,0|1,1,0]=4 14085 B16R1.1138 C[C@H](O)c1cc(ccc1SC[C@@H](O)CO)F 62a_100134768474_100009815848 [0,2,0,0,0,0|1,1,0]=4 14086 B16R1.1138 Cc1ccc(c(c1)C(=O)N)OCC(O)CO 34a_200000192840_100011219619 [0,2,0,0,0,0|2,0,0]=4 14087 B16R1.1138 Cc1ccc(c(c1)C(=O)N)OCC(O)CO 7a_200000192840_100011219619 [0,2,0,0,0,0|2,0,0]=4 14088 B16R1.1138 Cc1ccc(c(c1)C(=O)N)OC[C@@H](O)CO 34a_200000192840_100009815848 [0,2,0,0,0,0|2,0,0]=4 14089 B16R1.1138 Cc1ccc(c(c1)C(=O)N)OC[C@@H](O)CO 7a_200000192840_100009815848 [0,2,0,0,0,0|2,0,0]=4 14090 B16R1.1138 Cc1ccc(c(c1)[N+](=O)[O-])OCC(O)CO 34a_100000195567_100011219619 [0,2,0,0,0,0|2,0,0]=4 14091 B16R1.1138 Cc1ccc(c(c1)[N+](=O)[O-])OCC(O)CO 7a_100000195567_100011219619 [0,2,0,0,0,0|2,0,0]=4 14092 B16R1.1138 Cc1ccc(c(c1)[N+](=O)[O-])OC[C@@H](O)CO 34a_100000195567_100009815848 [0,2,0,0,0,0|2,0,0]=4 14093 B16R1.1138 Cc1ccc(c(c1)[N+](=O)[O-])OC[C@@H](O)CO 7a_100000195567_100009815848 [0,2,0,0,0,0|2,0,0]=4 14094 B16R1.1138 NC(=O)c1cc(ccc1OCC(O)CO)Br 34a_100000192807_100011219619 [0,2,0,0,0,0|2,0,0]=4 14095 B16R1.1138 NC(=O)c1cc(ccc1OCC(O)CO)Br 7a_100000192807_100011219619 [0,2,0,0,0,0|2,0,0]=4 14096 B16R1.1138 NC(=O)c1cc(ccc1OCC(O)CO)Cl 34a_100000185026_100011219619 [0,2,0,0,0,0|2,0,0]=4 14097 B16R1.1138 NC(=O)c1cc(ccc1OCC(O)CO)Cl 7a_100000185026_100011219619 [0,2,0,0,0,0|2,0,0]=4 14098 B16R1.1138 NC(=O)c1cc(ccc1OCC(O)CO)F 34a_100012186459_100011219619 [0,2,0,0,0,0|2,0,0]=4 14099 B16R1.1138 NC(=O)c1cc(ccc1OCC(O)CO)F 7a_100012186459_100011219619 [0,2,0,0,0,0|2,0,0]=4 14100 B16R1.1138 NC(=O)c1cc(ccc1OCC(O)CO)I 34a_100000192813_100011219619 [0,2,0,0,0,0|2,0,0]=4 14101 B16R1.1138 NC(=O)c1cc(ccc1OCC(O)CO)I 7a_100000192813_100011219619 [0,2,0,0,0,0|2,0,0]=4 14102 B16R1.1138 NC(=O)c1cc(ccc1OC[C@@H](O)CO)Br 34a_100000192807_100009815848 [0,2,0,0,0,0|2,0,0]=4 14103 B16R1.1138 NC(=O)c1cc(ccc1OC[C@@H](O)CO)Br 7a_100000192807_100009815848 [0,2,0,0,0,0|2,0,0]=4 14104 B16R1.1138 NC(=O)c1cc(ccc1OC[C@@H](O)CO)Cl 34a_100000185026_100009815848 [0,2,0,0,0,0|2,0,0]=4 14105 B16R1.1138 NC(=O)c1cc(ccc1OC[C@@H](O)CO)Cl 7a_100000185026_100009815848 [0,2,0,0,0,0|2,0,0]=4 14106 B16R1.1138 NC(=O)c1cc(ccc1OC[C@@H](O)CO)F 34a_100012186459_100009815848 [0,2,0,0,0,0|2,0,0]=4 14107 B16R1.1138 NC(=O)c1cc(ccc1OC[C@@H](O)CO)F 7a_100012186459_100009815848 [0,2,0,0,0,0|2,0,0]=4 14108 B16R1.1138 NC(=O)c1cc(ccc1OC[C@@H](O)CO)I 34a_100000192813_100009815848 [0,2,0,0,0,0|2,0,0]=4 14109 B16R1.1138 NC(=O)c1cc(ccc1OC[C@@H](O)CO)I 7a_100000192813_100009815848 [0,2,0,0,0,0|2,0,0]=4 14110 B16R1.1138 Nc1ccc(c(c1)[N+](=O)[O-])OCC(O)CO 34a_100000032192_100011219619 [0,2,0,0,0,0|2,0,0]=4 14111 B16R1.1138 Nc1ccc(c(c1)[N+](=O)[O-])OCC(O)CO 7a_100000032192_100011219619 [0,2,0,0,0,0|2,0,0]=4 14112 B16R1.1138 Nc1ccc(c(c1)[N+](=O)[O-])OC[C@@H](O)CO 34a_100000032192_100009815848 [0,2,0,0,0,0|2,0,0]=4 14113 B16R1.1138 Nc1ccc(c(c1)[N+](=O)[O-])OC[C@@H](O)CO 7a_100000032192_100009815848 [0,2,0,0,0,0|2,0,0]=4 14114 B16R1.1138 O=[N+]([O-])c1cc(ccc1OCC(O)CO)Br 34a_100000757407_100011219619 [0,2,0,0,0,0|2,0,0]=4 14115 B16R1.1138 O=[N+]([O-])c1cc(ccc1OCC(O)CO)Br 7a_100000757407_100011219619 [0,2,0,0,0,0|2,0,0]=4 14116 B16R1.1138 O=[N+]([O-])c1cc(ccc1OCC(O)CO)Cl 34a_100000212152_100011219619 [0,2,0,0,0,0|2,0,0]=4 14117 B16R1.1138 O=[N+]([O-])c1cc(ccc1OCC(O)CO)Cl 7a_100000212152_100011219619 [0,2,0,0,0,0|2,0,0]=4 14118 B16R1.1138 O=[N+]([O-])c1cc(ccc1OCC(O)CO)F 34a_100000748789_100011219619 [0,2,0,0,0,0|2,0,0]=4 14119 B16R1.1138 O=[N+]([O-])c1cc(ccc1OCC(O)CO)F 7a_100000748789_100011219619 [0,2,0,0,0,0|2,0,0]=4 14120 B16R1.1138 O=[N+]([O-])c1cc(ccc1OCC(O)CO)I 7a_100000698543_100011219619 [0,2,0,0,0,0|2,0,0]=4 14121 B16R1.1138 O=[N+]([O-])c1cc(ccc1OC[C@@H](O)CO)Br 34a_100000757407_100009815848 [0,2,0,0,0,0|2,0,0]=4 14122 B16R1.1138 O=[N+]([O-])c1cc(ccc1OC[C@@H](O)CO)Br 7a_100000757407_100009815848 [0,2,0,0,0,0|2,0,0]=4 14123 B16R1.1138 O=[N+]([O-])c1cc(ccc1OC[C@@H](O)CO)Cl 34a_100000212152_100009815848 [0,2,0,0,0,0|2,0,0]=4 14124 B16R1.1138 O=[N+]([O-])c1cc(ccc1OC[C@@H](O)CO)Cl 7a_100000212152_100009815848 [0,2,0,0,0,0|2,0,0]=4 14125 B16R1.1138 O=[N+]([O-])c1cc(ccc1OC[C@@H](O)CO)F 34a_100000748789_100009815848 [0,2,0,0,0,0|2,0,0]=4 14126 B16R1.1138 O=[N+]([O-])c1cc(ccc1OC[C@@H](O)CO)F 7a_100000748789_100009815848 [0,2,0,0,0,0|2,0,0]=4 14127 B16R1.1138 O=[N+]([O-])c1cc(ccc1OC[C@@H](O)CO)I 7a_100000698543_100009815848 [0,2,0,0,0,0|2,0,0]=4 14128 B16R1.1302 CC(=O)c1ccc(cc1NC[C@H](O)CO)F 27a_100020644852_100000686192 [0,2,0,0,0,0|2,0,0]=4 14129 B16R1.1302 CC(=O)c1ccc(cc1OCC(O)CO)Br 7a_100000188348_100011219619 [0,2,0,0,0,0|1,0,0]=3 14130 B16R1.1302 CC(=O)c1ccc(cc1OCC(O)CO)C 34a_100000234885_100011219619 [0,2,0,0,0,0|1,0,0]=3 14131 B16R1.1302 CC(=O)c1ccc(cc1OCC(O)CO)C 7a_100000234885_100011219619 [0,2,0,0,0,0|1,0,0]=3 14132 B16R1.1302 CC(=O)c1ccc(cc1OCC(O)CO)Cl 34a_100000061402_100011219619 [0,2,0,0,0,0|1,0,0]=3 14133 B16R1.1302 CC(=O)c1ccc(cc1OCC(O)CO)Cl 7a_100000061402_100011219619 [0,2,0,0,0,0|1,0,0]=3 14134 B16R1.1302 CC(=O)c1ccc(cc1OCC(O)CO)F 7a_100011215782_100011219619 [0,2,0,0,0,0|1,0,0]=3 14135 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](C)CO)Br 7a_100000188348_100000059175 [0,2,0,0,0,0|2,0,0]=4 14136 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](C)CO)C 34a_100000234885_100000059175 [0,2,0,0,0,0|2,0,0]=4 14137 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](C)CO)C 7a_100000234885_100000059175 [0,2,0,0,0,0|2,0,0]=4 14138 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](C)CO)Cl 34a_100000061402_100000059175 [0,2,0,0,0,0|2,0,0]=4 14139 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](C)CO)Cl 7a_100000061402_100000059175 [0,2,0,0,0,0|2,0,0]=4 14140 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](C)CO)F 7a_100011215782_100000059175 [0,2,0,0,0,0|2,0,0]=4 14141 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](O)CF)Br 7a_100000188348_100015614560 [0,2,0,0,0,0|2,0,0]=4 14142 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](O)CF)C 34a_100000234885_100015614560 [0,2,0,0,0,0|2,0,0]=4 14143 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](O)CF)C 7a_100000234885_100015614560 [0,2,0,0,0,0|2,0,0]=4 14144 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](O)CF)Cl 34a_100000061402_100015614560 [0,2,0,0,0,0|2,0,0]=4 14145 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](O)CF)Cl 7a_100000061402_100015614560 [0,2,0,0,0,0|2,0,0]=4 14146 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](O)CF)F 7a_100011215782_100015614560 [0,2,0,0,0,0|2,0,0]=4 14147 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](O)CO)Br 7a_100000188348_100009815848 [0,2,0,0,0,0|1,0,0]=3 14148 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](O)CO)C 34a_100000234885_100009815848 [0,2,0,0,0,0|1,0,0]=3 14149 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](O)CO)C 7a_100000234885_100009815848 [0,2,0,0,0,0|1,0,0]=3 14150 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](O)CO)Cl 34a_100000061402_100009815848 [0,2,0,0,0,0|1,0,0]=3 14151 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](O)CO)Cl 7a_100000061402_100009815848 [0,2,0,0,0,0|1,0,0]=3 14152 B16R1.1302 CC(=O)c1ccc(cc1OC[C@@H](O)CO)F 7a_100011215782_100009815848 [0,2,0,0,0,0|1,0,0]=3 14153 B16R1.1302 CC(=O)c1ccc(cc1SCC(O)CO)C 62a_100011219619_100012353930 [0,2,0,0,0,0|1,1,0]=4 14154 B16R1.1302 CC(=O)c1ccc(cc1SCC(O)CO)C 62a_100012353930_100011219619 [0,2,0,0,0,0|1,1,0]=4 14155 B16R1.1302 CC(=O)c1ccc(cc1SCC(O)CO)F 62a_100000686192_100011219619 [0,2,0,0,0,0|1,1,0]=4 14156 B16R1.1302 CC(=O)c1ccc(cc1SCC(O)CO)O 62a_100012340537_100011219619 [0,2,0,0,0,0|1,1,0]=4 14157 B16R1.1302 CC(=O)c1ccc(cc1SC[C@@H](O)CO)C 62a_100009815848_100012353930 [0,2,0,0,0,0|1,1,0]=4 14158 B16R1.1302 CC(=O)c1ccc(cc1SC[C@@H](O)CO)C 62a_100012353930_100009815848 [0,2,0,0,0,0|1,1,0]=4 14159 B16R1.1302 CC(=O)c1ccc(cc1SC[C@@H](O)CO)F 62a_100000686192_100009815848 [0,2,0,0,0,0|1,1,0]=4 14160 B16R1.1302 CC(=O)c1ccc(cc1SC[C@@H](O)CO)O 62a_100012340537_100009815848 [0,2,0,0,0,0|1,1,0]=4 14161 B16R1.1302 CC(C)c1ccc(cc1NCC(O)CO)F 2230a_100012283353_100011219619 [0,2,0,0,0,0|2,0,0]=4 14162 B16R1.1302 CC(C)c1ccc(cc1NCC(O)CO)F 34a_100012283353_100011219619 [0,2,0,0,0,0|2,0,0]=4 14163 B16R1.1302 CC(C)c1ccc(cc1NCC(O)CO)F 7a_100012283353_100011219619 [0,2,0,0,0,0|2,0,0]=4 14164 B16R1.1302 CC(C)c1ccc(cc1NC[C@@H](O)CO)F 2230a_100012283353_100009815848 [0,2,0,0,0,0|2,0,0]=4 14165 B16R1.1302 CC(C)c1ccc(cc1NC[C@@H](O)CO)F 34a_100012283353_100009815848 [0,2,0,0,0,0|2,0,0]=4 14166 B16R1.1302 CC(C)c1ccc(cc1NC[C@@H](O)CO)F 7a_100012283353_100009815848 [0,2,0,0,0,0|2,0,0]=4 14167 B16R1.1302 CCC(O)COc1cc(ccc1C(=O)C)Br 7a_100000188348_100011218378 [0,2,0,0,0,0|2,0,0]=4 14168 B16R1.1302 CCC(O)COc1cc(ccc1C(=O)C)C 34a_100000234885_100011218378 [0,2,0,0,0,0|2,0,0]=4 14169 B16R1.1302 CCC(O)COc1cc(ccc1C(=O)C)C 7a_100000234885_100011218378 [0,2,0,0,0,0|2,0,0]=4 14170 B16R1.1302 CCC(O)COc1cc(ccc1C(=O)C)Cl 34a_100000061402_100011218378 [0,2,0,0,0,0|2,0,0]=4 14171 B16R1.1302 CCC(O)COc1cc(ccc1C(=O)C)Cl 7a_100000061402_100011218378 [0,2,0,0,0,0|2,0,0]=4 14172 B16R1.1302 CCC(O)COc1cc(ccc1C(=O)C)F 7a_100011215782_100011218378 [0,2,0,0,0,0|2,0,0]=4 14173 B16R1.1302 CCC(O)COc1cc(ccc1C(C)C)C 34a_100000185798_100011218378 [0,2,0,0,0,0|2,0,0]=4 14174 B16R1.1302 CCC(O)COc1cc(ccc1C(C)C)C 7a_100000185798_100011218378 [0,2,0,0,0,0|2,0,0]=4 14175 B16R1.1302 CN(C)c1ccc(cc1SCC(O)CO)F 62a_100011219619_100012349029 [0,2,0,0,0,0|1,1,0]=4 14176 B16R1.1302 CN(C)c1ccc(cc1SCC(O)CO)F 62a_100012349029_100011219619 [0,2,0,0,0,0|1,1,0]=4 14177 B16R1.1302 CN(C)c1ccc(cc1SCC(O)CO)N 62a_100011219619_100011534197 [0,2,0,0,0,0|1,1,0]=4 14178 B16R1.1302 CN(C)c1ccc(cc1SCC(O)CO)N 62a_100011534197_100011219619 [0,2,0,0,0,0|1,1,0]=4 14179 B16R1.1302 CN(C)c1ccc(cc1SC[C@@H](O)CO)F 62a_100009815848_100012349029 [0,2,0,0,0,0|1,1,0]=4 14180 B16R1.1302 CN(C)c1ccc(cc1SC[C@@H](O)CO)F 62a_100012349029_100009815848 [0,2,0,0,0,0|1,1,0]=4 14181 B16R1.1302 CN(C)c1ccc(cc1SC[C@@H](O)CO)N 62a_100009815848_100011534197 [0,2,0,0,0,0|1,1,0]=4 14182 B16R1.1302 CN(C)c1ccc(cc1SC[C@@H](O)CO)N 62a_100011534197_100009815848 [0,2,0,0,0,0|1,1,0]=4 14183 B16R1.1302 C[C@@H](N)c1ccc(cc1SCC(O)CO)F 62a_100011219619_100025704064 [0,2,0,0,0,0|1,1,0]=4 14184 B16R1.1302 C[C@@H](N)c1ccc(cc1SCC(O)CO)F 62a_100025704064_100011219619 [0,2,0,0,0,0|1,1,0]=4 14185 B16R1.1302 C[C@@H](N)c1ccc(cc1SC[C@@H](O)CO)F 62a_100009815848_100025704064 [0,2,0,0,0,0|1,1,0]=4 14186 B16R1.1302 C[C@@H](N)c1ccc(cc1SC[C@@H](O)CO)F 62a_100025704064_100009815848 [0,2,0,0,0,0|1,1,0]=4 14187 B16R1.1302 Cc1ccc(c(c1)OCC(O)CO)C(=O)N 34a_100000192831_100011219619 [0,2,0,0,0,0|2,0,0]=4 14188 B16R1.1302 Cc1ccc(c(c1)OCC(O)CO)C(=O)N 7a_100000192831_100011219619 [0,2,0,0,0,0|2,0,0]=4 14189 B16R1.1302 Cc1ccc(c(c1)OCC(O)CO)C(C)C 34a_100000185798_100011219619 [0,2,0,0,0,0|1,0,0]=3 14190 B16R1.1302 Cc1ccc(c(c1)OCC(O)CO)C(C)C 7a_100000185798_100011219619 [0,2,0,0,0,0|1,0,0]=3 14191 B16R1.1302 Cc1ccc(c(c1)OCC(O)CO)[N+](=O)[O-] 34a_100000195450_100011219619 [0,2,0,0,0,0|2,0,0]=4 14192 B16R1.1302 Cc1ccc(c(c1)OCC(O)CO)[N+](=O)[O-] 7a_100000195450_100011219619 [0,2,0,0,0,0|2,0,0]=4 14193 B16R1.1302 Cc1ccc(c(c1)OC[C@@H](C)CO)C(C)C 34a_100000185798_100000059175 [0,2,0,0,0,0|2,0,0]=4 14194 B16R1.1302 Cc1ccc(c(c1)OC[C@@H](C)CO)C(C)C 7a_100000185798_100000059175 [0,2,0,0,0,0|2,0,0]=4 14195 B16R1.1302 Cc1ccc(c(c1)OC[C@@H](O)CF)C(C)C 34a_100000185798_100015614560 [0,2,0,0,0,0|2,0,0]=4 14196 B16R1.1302 Cc1ccc(c(c1)OC[C@@H](O)CF)C(C)C 7a_100000185798_100015614560 [0,2,0,0,0,0|2,0,0]=4 14197 B16R1.1302 Cc1ccc(c(c1)OC[C@@H](O)CO)C(=O)N 34a_100000192831_100009815848 [0,2,0,0,0,0|2,0,0]=4 14198 B16R1.1302 Cc1ccc(c(c1)OC[C@@H](O)CO)C(=O)N 7a_100000192831_100009815848 [0,2,0,0,0,0|2,0,0]=4 14199 B16R1.1302 Cc1ccc(c(c1)OC[C@@H](O)CO)C(C)C 34a_100000185798_100009815848 [0,2,0,0,0,0|1,0,0]=3 14200 B16R1.1302 Cc1ccc(c(c1)OC[C@@H](O)CO)C(C)C 7a_100000185798_100009815848 [0,2,0,0,0,0|1,0,0]=3 14201 B16R1.1302 Cc1ccc(c(c1)OC[C@@H](O)CO)[N+](=O)[O-] 34a_100000195450_100009815848 [0,2,0,0,0,0|2,0,0]=4 14202 B16R1.1302 Cc1ccc(c(c1)OC[C@@H](O)CO)[N+](=O)[O-] 7a_100000195450_100009815848 [0,2,0,0,0,0|2,0,0]=4 14203 B16R1.1302 Cc1ccc(c(c1)SCC(O)CO)N(C)C 62a_100011219619_100012353700 [0,2,0,0,0,0|1,1,0]=4 14204 B16R1.1302 Cc1ccc(c(c1)SCC(O)CO)N(C)C 62a_100012353700_100011219619 [0,2,0,0,0,0|1,1,0]=4 14205 B16R1.1302 Cc1ccc(c(c1)SC[C@@H](O)CO)N(C)C 62a_100009815848_100012353700 [0,2,0,0,0,0|1,1,0]=4 14206 B16R1.1302 Cc1ccc(c(c1)SC[C@@H](O)CO)N(C)C 62a_100012353700_100009815848 [0,2,0,0,0,0|1,1,0]=4 14207 B16R1.1302 NC(=O)c1ccc(cc1OCC(O)CO)Br 34a_100011550861_100011219619 [0,2,0,0,0,0|2,0,0]=4 14208 B16R1.1302 NC(=O)c1ccc(cc1OCC(O)CO)Br 7a_100011550861_100011219619 [0,2,0,0,0,0|2,0,0]=4 14209 B16R1.1302 NC(=O)c1ccc(cc1OCC(O)CO)Cl 34a_100000192836_100011219619 [0,2,0,0,0,0|2,0,0]=4 14210 B16R1.1302 NC(=O)c1ccc(cc1OCC(O)CO)Cl 7a_100000192836_100011219619 [0,2,0,0,0,0|2,0,0]=4 14211 B16R1.1302 NC(=O)c1ccc(cc1OCC(O)CO)N 34a_100000223280_100011219619 [0,2,0,0,0,0|2,0,0]=4 14212 B16R1.1302 NC(=O)c1ccc(cc1OCC(O)CO)N 7a_100000223280_100011219619 [0,2,0,0,0,0|2,0,0]=4 14213 B16R1.1302 NC(=O)c1ccc(cc1OC[C@@H](O)CO)Br 34a_100011550861_100009815848 [0,2,0,0,0,0|2,0,0]=4 14214 B16R1.1302 NC(=O)c1ccc(cc1OC[C@@H](O)CO)Br 7a_100011550861_100009815848 [0,2,0,0,0,0|2,0,0]=4 14215 B16R1.1302 NC(=O)c1ccc(cc1OC[C@@H](O)CO)Cl 34a_100000192836_100009815848 [0,2,0,0,0,0|2,0,0]=4 14216 B16R1.1302 NC(=O)c1ccc(cc1OC[C@@H](O)CO)Cl 7a_100000192836_100009815848 [0,2,0,0,0,0|2,0,0]=4 14217 B16R1.1302 NC(=O)c1ccc(cc1OC[C@@H](O)CO)N 34a_100000223280_100009815848 [0,2,0,0,0,0|2,0,0]=4 14218 B16R1.1302 NC(=O)c1ccc(cc1OC[C@@H](O)CO)N 7a_100000223280_100009815848 [0,2,0,0,0,0|2,0,0]=4 14219 B16R1.1302 O=[N+]([O-])c1ccc(cc1OCC(O)CO)Br 7a_100011934350_100011219619 [0,2,0,0,0,0|2,0,0]=4 14220 B16R1.1302 O=[N+]([O-])c1ccc(cc1OCC(O)CO)Cl 34a_100000746067_100011219619 [0,2,0,0,0,0|2,0,0]=4 14221 B16R1.1302 O=[N+]([O-])c1ccc(cc1OCC(O)CO)Cl 7a_100000746067_100011219619 [0,2,0,0,0,0|2,0,0]=4 14222 B16R1.1302 O=[N+]([O-])c1ccc(cc1OCC(O)CO)F 34a_100000210785_100011219619 [0,2,0,0,0,0|2,0,0]=4 14223 B16R1.1302 O=[N+]([O-])c1ccc(cc1OCC(O)CO)F 7a_100000210785_100011219619 [0,2,0,0,0,0|2,0,0]=4 14224 B16R1.1302 O=[N+]([O-])c1ccc(cc1OCC(O)CO)I 7a_100000072657_100011219619 [0,2,0,0,0,0|2,0,0]=4 14225 B16R1.1302 O=[N+]([O-])c1ccc(cc1OC[C@@H](O)CO)Br 7a_100011934350_100009815848 [0,2,0,0,0,0|2,0,0]=4 14226 B16R1.1302 O=[N+]([O-])c1ccc(cc1OC[C@@H](O)CO)Cl 34a_100000746067_100009815848 [0,2,0,0,0,0|2,0,0]=4 14227 B16R1.1302 O=[N+]([O-])c1ccc(cc1OC[C@@H](O)CO)Cl 7a_100000746067_100009815848 [0,2,0,0,0,0|2,0,0]=4 14228 B16R1.1302 O=[N+]([O-])c1ccc(cc1OC[C@@H](O)CO)F 34a_100000210785_100009815848 [0,2,0,0,0,0|2,0,0]=4 14229 B16R1.1302 O=[N+]([O-])c1ccc(cc1OC[C@@H](O)CO)F 7a_100000210785_100009815848 [0,2,0,0,0,0|2,0,0]=4 14230 B16R1.1302 O=[N+]([O-])c1ccc(cc1OC[C@@H](O)CO)I 7a_100000072657_100009815848 [0,2,0,0,0,0|2,0,0]=4 14231 B16R1.1331 CC(C)(C)c1ccccc1NCC(O)CO 2230a_100000211005_100011219619 [0,2,0,0,0,0|2,0,0]=4 14232 B16R1.1331 CC(C)(C)c1ccccc1NCC(O)CO 34a_100000211005_100011219619 [0,2,0,0,0,0|2,0,0]=4 14233 B16R1.1331 CC(C)(C)c1ccccc1NCC(O)CO 7a_100000211005_100011219619 [0,2,0,0,0,0|2,0,0]=4 14234 B16R1.1331 CC(C)(C)c1ccccc1NC[C@@H](O)CO 2230a_100000211005_100009815848 [0,2,0,0,0,0|2,0,0]=4 14235 B16R1.1331 CC(C)(C)c1ccccc1NC[C@@H](O)CO 34a_100000211005_100009815848 [0,2,0,0,0,0|2,0,0]=4 14236 B16R1.1331 CC(C)(C)c1ccccc1NC[C@@H](O)CO 7a_100000211005_100009815848 [0,2,0,0,0,0|2,0,0]=4 14237 B16R1.1331 CC(C)(C)c1ccccc1OCC(O)CO 34a_100000211619_100011219619 [0,2,0,0,0,0|1,0,0]=3 14238 B16R1.1331 CC(C)(C)c1ccccc1OCC(O)CO 7a_100000211619_100011219619 [0,2,0,0,0,0|1,0,0]=3 14239 B16R1.1331 CC(C)(C)c1ccccc1OC[C@@H](O)CF 34a_100000211619_100015614560 [0,2,0,0,0,0|2,0,0]=4 14240 B16R1.1331 CC(C)(C)c1ccccc1OC[C@@H](O)CF 7a_100000211619_100015614560 [0,2,0,0,0,0|2,0,0]=4 14241 B16R1.1331 CC(C)(C)c1ccccc1OC[C@@H](O)CO 34a_100000211619_100009815848 [0,2,0,0,0,0|1,0,0]=3 14242 B16R1.1331 CC(C)(C)c1ccccc1OC[C@@H](O)CO 7a_100000211619_100009815848 [0,2,0,0,0,0|1,0,0]=3 14243 B16R1.1331 CC(C)(C)c1ccccc1SCC(O)CO 62a_100011219619_100012339570 [0,2,0,0,0,0|1,1,0]=4 14244 B16R1.1331 CC(C)(C)c1ccccc1SCC(O)CO 62a_100012339570_100011219619 [0,2,0,0,0,0|1,1,0]=4 14245 B16R1.1331 CC(C)(C)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100012339570 [0,2,0,0,0,0|1,1,0]=4 14246 B16R1.1331 CC(C)(C)c1ccccc1SC[C@@H](O)CO 62a_100012339570_100009815848 [0,2,0,0,0,0|1,1,0]=4 14247 B16R1.1331 CC(C)(N)c1ccccc1SCC(O)CO 62a_100011219619_100020606264 [0,2,0,0,0,0|1,1,0]=4 14248 B16R1.1331 CC(C)(N)c1ccccc1SCC(O)CO 62a_100020606264_100011219619 [0,2,0,0,0,0|1,1,0]=4 14249 B16R1.1331 CC(C)(N)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100020606264 [0,2,0,0,0,0|1,1,0]=4 14250 B16R1.1331 CC(C)(N)c1ccccc1SC[C@@H](O)CO 62a_100020606264_100009815848 [0,2,0,0,0,0|1,1,0]=4 14251 B16R1.1331 CC(C)(O)c1ccccc1NCC(O)CO 34a_100000081495_100011219619 [0,2,0,0,0,0|2,0,0]=4 14252 B16R1.1331 CC(C)(O)c1ccccc1NCC(O)CO 7a_100000081495_100011219619 [0,2,0,0,0,0|2,0,0]=4 14253 B16R1.1331 CC(C)(O)c1ccccc1NC[C@@H](O)CO 34a_100000081495_100009815848 [0,2,0,0,0,0|2,0,0]=4 14254 B16R1.1331 CC(C)(O)c1ccccc1NC[C@@H](O)CO 7a_100000081495_100009815848 [0,2,0,0,0,0|2,0,0]=4 14255 B16R1.1331 CC(C)(O)c1ccccc1SCC(O)CO 62a_100011219619_100011346021 [0,2,0,0,0,0|1,1,0]=4 14256 B16R1.1331 CC(C)(O)c1ccccc1SCC(O)CO 62a_100011346021_100011219619 [0,2,0,0,0,0|1,1,0]=4 14257 B16R1.1331 CC(C)(O)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100011346021 [0,2,0,0,0,0|1,1,0]=4 14258 B16R1.1331 CC(C)(O)c1ccccc1SC[C@@H](O)CO 62a_100011346021_100009815848 [0,2,0,0,0,0|1,1,0]=4 14259 B16R1.1331 CC(F)(F)c1ccccc1SCC(O)CO 62a_100010220483_100011219619 [0,2,0,0,0,0|1,1,0]=4 14260 B16R1.1331 CC(F)(F)c1ccccc1SCC(O)CO 62a_100011219619_100010220483 [0,2,0,0,0,0|1,1,0]=4 14261 B16R1.1331 CC(F)(F)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100010220483 [0,2,0,0,0,0|1,1,0]=4 14262 B16R1.1331 CC(F)(F)c1ccccc1SC[C@@H](O)CO 62a_100010220483_100009815848 [0,2,0,0,0,0|1,1,0]=4 14263 B16R1.1331 CCC(O)COc1ccccc1C(C)(C)C 34a_100000211619_100011218378 [0,2,0,0,0,0|2,0,0]=4 14264 B16R1.1331 CCC(O)COc1ccccc1C(C)(C)C 7a_100000211619_100011218378 [0,2,0,0,0,0|2,0,0]=4 14265 B16R1.1331 CCC(O)COc1ccccc1S(=O)(=O)C 34a_100000054562_100011218378 [0,2,0,0,0,0|1,1,0]=4 14266 B16R1.1331 CCC(O)COc1ccccc1S(=O)(=O)C 7a_100000054562_100011218378 [0,2,0,0,0,0|1,1,0]=4 14267 B16R1.1331 CCC(O)COc1ccccc1[Si](C)(C)C 7a_100000095915_100011218378 [0,2,0,0,0,0|2,0,0]=4 14268 B16R1.1331 CP(=O)(C)c1ccccc1NCC(O)CO 2230a_100010749338_100011219619 [0,2,0,0,0,0|2,0,0]=4 14269 B16R1.1331 CP(=O)(C)c1ccccc1NCC(O)CO 34a_100010749338_100011219619 [0,2,0,0,0,0|2,0,0]=4 14270 B16R1.1331 CP(=O)(C)c1ccccc1NC[C@@H](O)CO 2230a_100010749338_100009815848 [0,2,0,0,0,0|2,0,0]=4 14271 B16R1.1331 CP(=O)(C)c1ccccc1NC[C@@H](O)CO 34a_100010749338_100009815848 [0,2,0,0,0,0|2,0,0]=4 14272 B16R1.1331 CS(=O)(=O)c1ccccc1NCC(O)CO 34a_100000241000_100011219619 [0,2,0,0,0,0|1,1,0]=4 14273 B16R1.1331 CS(=O)(=O)c1ccccc1NCC(O)CO 7a_100000241000_100011219619 [0,2,0,0,0,0|1,1,0]=4 14274 B16R1.1331 CS(=O)(=O)c1ccccc1NC[C@@H](O)CO 34a_100000241000_100009815848 [0,2,0,0,0,0|1,1,0]=4 14275 B16R1.1331 CS(=O)(=O)c1ccccc1NC[C@@H](O)CO 7a_100000241000_100009815848 [0,2,0,0,0,0|1,1,0]=4 14276 B16R1.1331 CS(=O)(=O)c1ccccc1OCC(O)CO 34a_100000054562_100011219619 [0,2,0,0,0,0|0,1,0]=3 14277 B16R1.1331 CS(=O)(=O)c1ccccc1OCC(O)CO 7a_100000054562_100011219619 [0,2,0,0,0,0|0,1,0]=3 14278 B16R1.1331 CS(=O)(=O)c1ccccc1OC[C@@H](O)CF 34a_100000054562_100015614560 [0,2,0,0,0,0|1,1,0]=4 14279 B16R1.1331 CS(=O)(=O)c1ccccc1OC[C@@H](O)CF 7a_100000054562_100015614560 [0,2,0,0,0,0|1,1,0]=4 14280 B16R1.1331 CS(=O)(=O)c1ccccc1OC[C@@H](O)CO 34a_100000054562_100009815848 [0,2,0,0,0,0|0,1,0]=3 14281 B16R1.1331 CS(=O)(=O)c1ccccc1OC[C@@H](O)CO 7a_100000054562_100009815848 [0,2,0,0,0,0|0,1,0]=3 14282 B16R1.1331 CS(=O)(=O)c1ccccc1SCC(O)CO 62a_100000751929_100011219619 [0,2,0,0,0,0|0,2,0]=4 14283 B16R1.1331 CS(=O)(=O)c1ccccc1SCC(O)CO 62a_100011219619_100000751929 [0,2,0,0,0,0|0,2,0]=4 14284 B16R1.1331 CS(=O)(=O)c1ccccc1SC[C@@H](O)CO 62a_100000751929_100009815848 [0,2,0,0,0,0|0,2,0]=4 14285 B16R1.1331 CS(=O)(=O)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100000751929 [0,2,0,0,0,0|0,2,0]=4 14286 B16R1.1331 C[C@@H](CO)COc1ccccc1C(C)(C)C 34a_100000211619_100000059175 [0,2,0,0,0,0|2,0,0]=4 14287 B16R1.1331 C[C@@H](CO)COc1ccccc1C(C)(C)C 7a_100000211619_100000059175 [0,2,0,0,0,0|2,0,0]=4 14288 B16R1.1331 C[C@@H](CO)COc1ccccc1S(=O)(=O)C 34a_100000054562_100000059175 [0,2,0,0,0,0|1,1,0]=4 14289 B16R1.1331 C[C@@H](CO)COc1ccccc1S(=O)(=O)C 7a_100000054562_100000059175 [0,2,0,0,0,0|1,1,0]=4 14290 B16R1.1331 C[C@@H](CO)COc1ccccc1[Si](C)(C)C 7a_100000095915_100000059175 [0,2,0,0,0,0|2,0,0]=4 14291 B16R1.1331 C[Si](C)(C)c1ccccc1OCC(O)CO 7a_100000095915_100011219619 [0,2,0,0,0,0|1,0,0]=3 14292 B16R1.1331 C[Si](C)(C)c1ccccc1OC[C@@H](O)CF 7a_100000095915_100015614560 [0,2,0,0,0,0|2,0,0]=4 14293 B16R1.1331 C[Si](C)(C)c1ccccc1OC[C@@H](O)CO 7a_100000095915_100009815848 [0,2,0,0,0,0|1,0,0]=3 14294 B16R1.1331 OCC(O)COc1ccccc1C(F)(F)F 34a_100000236976_100011219619 [0,2,0,0,0,0|2,0,0]=4 14295 B16R1.1331 OCC(O)COc1ccccc1C(F)(F)F 7a_100000236976_100011219619 [0,2,0,0,0,0|2,0,0]=4 14296 B16R1.1331 OC[C@H](O)COc1ccccc1C(F)(F)F 34a_100000236976_100009815848 [0,2,0,0,0,0|2,0,0]=4 14297 B16R1.1331 OC[C@H](O)COc1ccccc1C(F)(F)F 7a_100000236976_100009815848 [0,2,0,0,0,0|2,0,0]=4 14298 B16R1.10380 CC(C)c1ccccc1OCC(C)(C)CO 34a_100000211617_100009813988 [0,2,0,0,0,0|2,0,0]=4 14299 B16R1.10380 CC(C)c1ccccc1OCC(C)(C)CO 7a_100000211617_100009813988 [0,2,0,0,0,0|2,0,0]=4 14300 B16R1.10380 CC(O)c1ccccc1OCC(C)(C)CO 34a_200011232679_100009813988 [0,2,0,0,0,0|2,0,0]=4 14301 B16R1.10380 CC(O)c1ccccc1OCC(C)(C)CO 7a_200011232679_100009813988 [0,2,0,0,0,0|2,0,0]=4 14302 B16R1.10380 C[C@@H](N)c1ccccc1OCC(C)(C)CO 34a_100025703389_100009813988 [0,2,0,0,0,0|2,0,0]=4 14303 B16R1.16824 CC(=O)c1c(cccc1OCC(O)CO)Br 34a_100010174959_100011219619 [0,2,0,0,0,0|1,0,0]=3 14304 B16R1.16824 CC(=O)c1c(cccc1OCC(O)CO)Br 7a_100010174959_100011219619 [0,2,0,0,0,0|1,0,0]=3 14305 B16R1.16824 CC(=O)c1c(cccc1OCC(O)CO)C 34a_100009860897_100011219619 [0,2,0,0,0,0|1,0,0]=3 14306 B16R1.16824 CC(=O)c1c(cccc1OCC(O)CO)C 7a_100009860897_100011219619 [0,2,0,0,0,0|1,0,0]=3 14307 B16R1.16824 CC(=O)c1c(cccc1OCC(O)CO)Cl 34a_100000730630_100011219619 [0,2,0,0,0,0|1,0,0]=3 14308 B16R1.16824 CC(=O)c1c(cccc1OCC(O)CO)Cl 7a_100000730630_100011219619 [0,2,0,0,0,0|1,0,0]=3 14309 B16R1.16824 CC(=O)c1c(cccc1OCC(O)CO)F 34a_100011216272_100011219619 [0,2,0,0,0,0|1,0,0]=3 14310 B16R1.16824 CC(=O)c1c(cccc1OCC(O)CO)F 7a_100011216272_100011219619 [0,2,0,0,0,0|1,0,0]=3 14311 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](C)CO)Br 34a_100010174959_100000059175 [0,2,0,0,0,0|2,0,0]=4 14312 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](C)CO)Br 7a_100010174959_100000059175 [0,2,0,0,0,0|2,0,0]=4 14313 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](C)CO)C 34a_100009860897_100000059175 [0,2,0,0,0,0|2,0,0]=4 14314 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](C)CO)C 7a_100009860897_100000059175 [0,2,0,0,0,0|2,0,0]=4 14315 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](C)CO)Cl 34a_100000730630_100000059175 [0,2,0,0,0,0|2,0,0]=4 14316 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](C)CO)Cl 7a_100000730630_100000059175 [0,2,0,0,0,0|2,0,0]=4 14317 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](C)CO)F 34a_100011216272_100000059175 [0,2,0,0,0,0|2,0,0]=4 14318 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](C)CO)F 7a_100011216272_100000059175 [0,2,0,0,0,0|2,0,0]=4 14319 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](O)CF)Br 34a_100010174959_100015614560 [0,2,0,0,0,0|2,0,0]=4 14320 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](O)CF)Br 7a_100010174959_100015614560 [0,2,0,0,0,0|2,0,0]=4 14321 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](O)CF)C 34a_100009860897_100015614560 [0,2,0,0,0,0|2,0,0]=4 14322 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](O)CF)C 7a_100009860897_100015614560 [0,2,0,0,0,0|2,0,0]=4 14323 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](O)CF)Cl 34a_100000730630_100015614560 [0,2,0,0,0,0|2,0,0]=4 14324 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](O)CF)Cl 7a_100000730630_100015614560 [0,2,0,0,0,0|2,0,0]=4 14325 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](O)CF)F 34a_100011216272_100015614560 [0,2,0,0,0,0|2,0,0]=4 14326 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](O)CF)F 7a_100011216272_100015614560 [0,2,0,0,0,0|2,0,0]=4 14327 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](O)CO)Br 34a_100010174959_100009815848 [0,2,0,0,0,0|1,0,0]=3 14328 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](O)CO)Br 7a_100010174959_100009815848 [0,2,0,0,0,0|1,0,0]=3 14329 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](O)CO)C 34a_100009860897_100009815848 [0,2,0,0,0,0|1,0,0]=3 14330 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](O)CO)C 7a_100009860897_100009815848 [0,2,0,0,0,0|1,0,0]=3 14331 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](O)CO)Cl 34a_100000730630_100009815848 [0,2,0,0,0,0|1,0,0]=3 14332 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](O)CO)Cl 7a_100000730630_100009815848 [0,2,0,0,0,0|1,0,0]=3 14333 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](O)CO)F 34a_100011216272_100009815848 [0,2,0,0,0,0|1,0,0]=3 14334 B16R1.16824 CC(=O)c1c(cccc1OC[C@@H](O)CO)F 7a_100011216272_100009815848 [0,2,0,0,0,0|1,0,0]=3 14335 B16R1.16824 CC(=O)c1c(cccc1SCC(O)CO)F 62a_100012351873_100011219619 [0,2,0,0,0,0|1,1,0]=4 14336 B16R1.16824 CC(=O)c1c(cccc1SC[C@@H](O)CO)F 62a_100012351873_100009815848 [0,2,0,0,0,0|1,1,0]=4 14337 B16R1.16824 CC(O)c1c(cccc1SCC(O)CO)F 62a_100011219619_100013085324 [0,2,0,0,0,0|1,1,0]=4 14338 B16R1.16824 CC(O)c1c(cccc1SCC(O)CO)F 62a_100013085324_100011219619 [0,2,0,0,0,0|1,1,0]=4 14339 B16R1.16824 CC(O)c1c(cccc1SC[C@@H](O)CO)F 62a_100009815848_100013085324 [0,2,0,0,0,0|1,1,0]=4 14340 B16R1.16824 CC(O)c1c(cccc1SC[C@@H](O)CO)F 62a_100013085324_100009815848 [0,2,0,0,0,0|1,1,0]=4 14341 B16R1.16824 CCC(O)COc1cccc(c1C(=O)C)Br 34a_100010174959_100011218378 [0,2,0,0,0,0|2,0,0]=4 14342 B16R1.16824 CCC(O)COc1cccc(c1C(=O)C)Br 7a_100010174959_100011218378 [0,2,0,0,0,0|2,0,0]=4 14343 B16R1.16824 CCC(O)COc1cccc(c1C(=O)C)C 34a_100009860897_100011218378 [0,2,0,0,0,0|2,0,0]=4 14344 B16R1.16824 CCC(O)COc1cccc(c1C(=O)C)C 7a_100009860897_100011218378 [0,2,0,0,0,0|2,0,0]=4 14345 B16R1.16824 CCC(O)COc1cccc(c1C(=O)C)Cl 34a_100000730630_100011218378 [0,2,0,0,0,0|2,0,0]=4 14346 B16R1.16824 CCC(O)COc1cccc(c1C(=O)C)Cl 7a_100000730630_100011218378 [0,2,0,0,0,0|2,0,0]=4 14347 B16R1.16824 CCC(O)COc1cccc(c1C(=O)C)F 34a_100011216272_100011218378 [0,2,0,0,0,0|2,0,0]=4 14348 B16R1.16824 CCC(O)COc1cccc(c1C(=O)C)F 7a_100011216272_100011218378 [0,2,0,0,0,0|2,0,0]=4 14349 B16R1.16824 Cc1cccc(c1[N+](=O)[O-])OCC(O)CO 34a_100000740142_100011219619 [0,2,0,0,0,0|2,0,0]=4 14350 B16R1.16824 Cc1cccc(c1[N+](=O)[O-])OCC(O)CO 7a_100000740142_100011219619 [0,2,0,0,0,0|2,0,0]=4 14351 B16R1.16824 Cc1cccc(c1[N+](=O)[O-])OC[C@@H](O)CO 34a_100000740142_100009815848 [0,2,0,0,0,0|2,0,0]=4 14352 B16R1.16824 Cc1cccc(c1[N+](=O)[O-])OC[C@@H](O)CO 7a_100000740142_100009815848 [0,2,0,0,0,0|2,0,0]=4 14353 B16R1.16824 NC(=O)c1c(cccc1OCC(O)CO)F 34a_100000701607_100011219619 [0,2,0,0,0,0|2,0,0]=4 14354 B16R1.16824 NC(=O)c1c(cccc1OCC(O)CO)F 7a_100000701607_100011219619 [0,2,0,0,0,0|2,0,0]=4 14355 B16R1.16824 NC(=O)c1c(cccc1OC[C@@H](O)CO)F 34a_100000701607_100009815848 [0,2,0,0,0,0|2,0,0]=4 14356 B16R1.16824 NC(=O)c1c(cccc1OC[C@@H](O)CO)F 7a_100000701607_100009815848 [0,2,0,0,0,0|2,0,0]=4 14357 B16R1.16824 O=[N+]([O-])c1c(cccc1OCC(O)CO)Br 34a_100011934925_100011219619 [0,2,0,0,0,0|2,0,0]=4 14358 B16R1.16824 O=[N+]([O-])c1c(cccc1OCC(O)CO)Br 7a_100011934925_100011219619 [0,2,0,0,0,0|2,0,0]=4 14359 B16R1.16824 O=[N+]([O-])c1c(cccc1OCC(O)CO)Cl 34a_100011999376_100011219619 [0,2,0,0,0,0|2,0,0]=4 14360 B16R1.16824 O=[N+]([O-])c1c(cccc1OCC(O)CO)Cl 7a_100011999376_100011219619 [0,2,0,0,0,0|2,0,0]=4 14361 B16R1.16824 O=[N+]([O-])c1c(cccc1OCC(O)CO)F 34a_100011217962_100011219619 [0,2,0,0,0,0|2,0,0]=4 14362 B16R1.16824 O=[N+]([O-])c1c(cccc1OCC(O)CO)F 7a_100011217962_100011219619 [0,2,0,0,0,0|2,0,0]=4 14363 B16R1.16824 O=[N+]([O-])c1c(cccc1OCC(O)CO)I 7a_100010150324_100011219619 [0,2,0,0,0,0|2,0,0]=4 14364 B16R1.16824 O=[N+]([O-])c1c(cccc1OC[C@@H](O)CO)Br 34a_100011934925_100009815848 [0,2,0,0,0,0|2,0,0]=4 14365 B16R1.16824 O=[N+]([O-])c1c(cccc1OC[C@@H](O)CO)Br 7a_100011934925_100009815848 [0,2,0,0,0,0|2,0,0]=4 14366 B16R1.16824 O=[N+]([O-])c1c(cccc1OC[C@@H](O)CO)Cl 34a_100011999376_100009815848 [0,2,0,0,0,0|2,0,0]=4 14367 B16R1.16824 O=[N+]([O-])c1c(cccc1OC[C@@H](O)CO)Cl 7a_100011999376_100009815848 [0,2,0,0,0,0|2,0,0]=4 14368 B16R1.16824 O=[N+]([O-])c1c(cccc1OC[C@@H](O)CO)F 34a_100011217962_100009815848 [0,2,0,0,0,0|2,0,0]=4 14369 B16R1.16824 O=[N+]([O-])c1c(cccc1OC[C@@H](O)CO)F 7a_100011217962_100009815848 [0,2,0,0,0,0|2,0,0]=4 14370 B16R1.16824 O=[N+]([O-])c1c(cccc1OC[C@@H](O)CO)I 7a_100010150324_100009815848 [0,2,0,0,0,0|2,0,0]=4 14371 B16R1.18406 CC(=O)c1cccc(c1OCC(O)CO)C 34a_100009847209_100011219619 [0,2,0,0,0,0|1,0,0]=3 14372 B16R1.18406 CC(=O)c1cccc(c1OCC(O)CO)C 7a_100009847209_100011219619 [0,2,0,0,0,0|1,0,0]=3 14373 B16R1.18406 CC(=O)c1cccc(c1OCC(O)CO)Cl 34a_100000043392_100011219619 [0,2,0,0,0,0|1,0,0]=3 14374 B16R1.18406 CC(=O)c1cccc(c1OCC(O)CO)Cl 7a_100000043392_100011219619 [0,2,0,0,0,0|1,0,0]=3 14375 B16R1.18406 CC(=O)c1cccc(c1OCC(O)CO)F 34a_100011246037_100011219619 [0,2,0,0,0,0|1,0,0]=3 14376 B16R1.18406 CC(=O)c1cccc(c1OCC(O)CO)F 7a_100011246037_100011219619 [0,2,0,0,0,0|1,0,0]=3 14377 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](C)CO)C 34a_100009847209_100000059175 [0,2,0,0,0,0|2,0,0]=4 14378 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](C)CO)C 7a_100009847209_100000059175 [0,2,0,0,0,0|2,0,0]=4 14379 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](C)CO)Cl 34a_100000043392_100000059175 [0,2,0,0,0,0|2,0,0]=4 14380 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](C)CO)Cl 7a_100000043392_100000059175 [0,2,0,0,0,0|2,0,0]=4 14381 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](C)CO)F 34a_100011246037_100000059175 [0,2,0,0,0,0|2,0,0]=4 14382 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](C)CO)F 7a_100011246037_100000059175 [0,2,0,0,0,0|2,0,0]=4 14383 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](O)CF)C 34a_100009847209_100015614560 [0,2,0,0,0,0|2,0,0]=4 14384 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](O)CF)C 7a_100009847209_100015614560 [0,2,0,0,0,0|2,0,0]=4 14385 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](O)CF)Cl 34a_100000043392_100015614560 [0,2,0,0,0,0|2,0,0]=4 14386 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](O)CF)Cl 7a_100000043392_100015614560 [0,2,0,0,0,0|2,0,0]=4 14387 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](O)CF)F 34a_100011246037_100015614560 [0,2,0,0,0,0|2,0,0]=4 14388 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](O)CF)F 7a_100011246037_100015614560 [0,2,0,0,0,0|2,0,0]=4 14389 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](O)CO)C 34a_100009847209_100009815848 [0,2,0,0,0,0|1,0,0]=3 14390 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](O)CO)C 7a_100009847209_100009815848 [0,2,0,0,0,0|1,0,0]=3 14391 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](O)CO)Cl 34a_100000043392_100009815848 [0,2,0,0,0,0|1,0,0]=3 14392 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](O)CO)Cl 7a_100000043392_100009815848 [0,2,0,0,0,0|1,0,0]=3 14393 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](O)CO)F 34a_100011246037_100009815848 [0,2,0,0,0,0|1,0,0]=3 14394 B16R1.18406 CC(=O)c1cccc(c1OC[C@@H](O)CO)F 7a_100011246037_100009815848 [0,2,0,0,0,0|1,0,0]=3 14395 B16R1.18406 CC(=O)c1cccc(c1SCC(O)CO)F 62a_100011219619_100012362612 [0,2,0,0,0,0|1,1,0]=4 14396 B16R1.18406 CC(=O)c1cccc(c1SCC(O)CO)F 62a_100012362612_100011219619 [0,2,0,0,0,0|1,1,0]=4 14397 B16R1.18406 CC(=O)c1cccc(c1SC[C@@H](O)CO)F 62a_100009815848_100012362612 [0,2,0,0,0,0|1,1,0]=4 14398 B16R1.18406 CC(=O)c1cccc(c1SC[C@@H](O)CO)F 62a_100012362612_100009815848 [0,2,0,0,0,0|1,1,0]=4 14399 B16R1.18406 CC(C)c1cccc(c1NCC(O)CO)Br 2230a_100010571509_100011219619 [0,2,0,0,0,0|2,0,0]=4 14400 B16R1.18406 CC(C)c1cccc(c1NCC(O)CO)Br 34a_100010571509_100011219619 [0,2,0,0,0,0|2,0,0]=4 14401 B16R1.18406 CC(C)c1cccc(c1NCC(O)CO)Br 7a_100010571509_100011219619 [0,2,0,0,0,0|2,0,0]=4 14402 B16R1.18406 CC(C)c1cccc(c1NCC(O)CO)Cl 2230a_200009958663_100011219619 [0,2,0,0,0,0|2,0,0]=4 14403 B16R1.18406 CC(C)c1cccc(c1NCC(O)CO)Cl 34a_200009958663_100011219619 [0,2,0,0,0,0|2,0,0]=4 14404 B16R1.18406 CC(C)c1cccc(c1NCC(O)CO)Cl 7a_200009958663_100011219619 [0,2,0,0,0,0|2,0,0]=4 14405 B16R1.18406 CC(C)c1cccc(c1NC[C@@H](O)CO)Br 2230a_100010571509_100009815848 [0,2,0,0,0,0|2,0,0]=4 14406 B16R1.18406 CC(C)c1cccc(c1NC[C@@H](O)CO)Br 34a_100010571509_100009815848 [0,2,0,0,0,0|2,0,0]=4 14407 B16R1.18406 CC(C)c1cccc(c1NC[C@@H](O)CO)Br 7a_100010571509_100009815848 [0,2,0,0,0,0|2,0,0]=4 14408 B16R1.18406 CC(C)c1cccc(c1NC[C@@H](O)CO)Cl 2230a_200009958663_100009815848 [0,2,0,0,0,0|2,0,0]=4 14409 B16R1.18406 CC(C)c1cccc(c1NC[C@@H](O)CO)Cl 34a_200009958663_100009815848 [0,2,0,0,0,0|2,0,0]=4 14410 B16R1.18406 CC(C)c1cccc(c1NC[C@@H](O)CO)Cl 7a_200009958663_100009815848 [0,2,0,0,0,0|2,0,0]=4 14411 B16R1.18406 CCC(O)COc1c(cccc1C(=O)C)C 34a_100009847209_100011218378 [0,2,0,0,0,0|2,0,0]=4 14412 B16R1.18406 CCC(O)COc1c(cccc1C(=O)C)C 7a_100009847209_100011218378 [0,2,0,0,0,0|2,0,0]=4 14413 B16R1.18406 CCC(O)COc1c(cccc1C(=O)C)Cl 34a_100000043392_100011218378 [0,2,0,0,0,0|2,0,0]=4 14414 B16R1.18406 CCC(O)COc1c(cccc1C(=O)C)Cl 7a_100000043392_100011218378 [0,2,0,0,0,0|2,0,0]=4 14415 B16R1.18406 CCC(O)COc1c(cccc1C(=O)C)F 34a_100011246037_100011218378 [0,2,0,0,0,0|2,0,0]=4 14416 B16R1.18406 CCC(O)COc1c(cccc1C(=O)C)F 7a_100011246037_100011218378 [0,2,0,0,0,0|2,0,0]=4 14417 B16R1.18406 Cc1cccc(c1NCC(O)CO)C(C)C 2230a_100138557336_100011219619 [0,2,0,0,0,0|2,0,0]=4 14418 B16R1.18406 Cc1cccc(c1NCC(O)CO)C(C)C 34a_100138557336_100011219619 [0,2,0,0,0,0|2,0,0]=4 14419 B16R1.18406 Cc1cccc(c1NCC(O)CO)C(C)C 7a_100138557336_100011219619 [0,2,0,0,0,0|2,0,0]=4 14420 B16R1.18406 Cc1cccc(c1NC[C@@H](O)CO)C(C)C 2230a_100138557336_100009815848 [0,2,0,0,0,0|2,0,0]=4 14421 B16R1.18406 Cc1cccc(c1NC[C@@H](O)CO)C(C)C 34a_100138557336_100009815848 [0,2,0,0,0,0|2,0,0]=4 14422 B16R1.18406 Cc1cccc(c1NC[C@@H](O)CO)C(C)C 7a_100138557336_100009815848 [0,2,0,0,0,0|2,0,0]=4 14423 B16R1.18406 Cc1cccc(c1OCC(O)CO)[N+](=O)[O-] 34a_100000763257_100011219619 [0,2,0,0,0,0|2,0,0]=4 14424 B16R1.18406 Cc1cccc(c1OCC(O)CO)[N+](=O)[O-] 7a_100000763257_100011219619 [0,2,0,0,0,0|2,0,0]=4 14425 B16R1.18406 Cc1cccc(c1OC[C@@H](O)CO)[N+](=O)[O-] 34a_100000763257_100009815848 [0,2,0,0,0,0|2,0,0]=4 14426 B16R1.18406 Cc1cccc(c1OC[C@@H](O)CO)[N+](=O)[O-] 7a_100000763257_100009815848 [0,2,0,0,0,0|2,0,0]=4 14427 B16R1.18406 NC(=O)c1cccc(c1OCC(O)CO)Cl 34a_100009868166_100011219619 [0,2,0,0,0,0|2,0,0]=4 14428 B16R1.18406 NC(=O)c1cccc(c1OCC(O)CO)Cl 7a_100009868166_100011219619 [0,2,0,0,0,0|2,0,0]=4 14429 B16R1.18406 NC(=O)c1cccc(c1OCC(O)CO)F 34a_100009886295_100011219619 [0,2,0,0,0,0|2,0,0]=4 14430 B16R1.18406 NC(=O)c1cccc(c1OCC(O)CO)F 7a_100009886295_100011219619 [0,2,0,0,0,0|2,0,0]=4 14431 B16R1.18406 NC(=O)c1cccc(c1OC[C@@H](O)CO)Cl 34a_100009868166_100009815848 [0,2,0,0,0,0|2,0,0]=4 14432 B16R1.18406 NC(=O)c1cccc(c1OC[C@@H](O)CO)Cl 7a_100009868166_100009815848 [0,2,0,0,0,0|2,0,0]=4 14433 B16R1.18406 NC(=O)c1cccc(c1OC[C@@H](O)CO)F 34a_100009886295_100009815848 [0,2,0,0,0,0|2,0,0]=4 14434 B16R1.18406 NC(=O)c1cccc(c1OC[C@@H](O)CO)F 7a_100009886295_100009815848 [0,2,0,0,0,0|2,0,0]=4 14435 B16R1.18406 O=[N+]([O-])c1cccc(c1OCC(O)CO)Br 34a_100000689966_100011219619 [0,2,0,0,0,0|2,0,0]=4 14436 B16R1.18406 O=[N+]([O-])c1cccc(c1OCC(O)CO)Cl 34a_100000686934_100011219619 [0,2,0,0,0,0|2,0,0]=4 14437 B16R1.18406 O=[N+]([O-])c1cccc(c1OCC(O)CO)Cl 7a_100000686934_100011219619 [0,2,0,0,0,0|2,0,0]=4 14438 B16R1.18406 O=[N+]([O-])c1cccc(c1OCC(O)CO)F 34a_100000690172_100011219619 [0,2,0,0,0,0|2,0,0]=4 14439 B16R1.18406 O=[N+]([O-])c1cccc(c1OC[C@@H](O)CO)Br 34a_100000689966_100009815848 [0,2,0,0,0,0|2,0,0]=4 14440 B16R1.18406 O=[N+]([O-])c1cccc(c1OC[C@@H](O)CO)Cl 34a_100000686934_100009815848 [0,2,0,0,0,0|2,0,0]=4 14441 B16R1.18406 O=[N+]([O-])c1cccc(c1OC[C@@H](O)CO)Cl 7a_100000686934_100009815848 [0,2,0,0,0,0|2,0,0]=4 14442 B16R1.18406 O=[N+]([O-])c1cccc(c1OC[C@@H](O)CO)F 34a_100000690172_100009815848 [0,2,0,0,0,0|2,0,0]=4 14443 B16R1.4325 CCC(CC)COc1cc(ccc1OC)Br 34a_100009816560_100011215472 [0,2,0,0,0,0|2,0,0]=4 14444 B16R1.4325 CCC(CC)COc1cc(ccc1OC)Br 7a_100009816560_100011215472 [0,2,0,0,0,0|2,0,0]=4 14445 B16R1.4325 CCC(CC)COc1cc(ccc1OC)C 34a_100011216497_100011215472 [0,2,0,0,0,0|2,0,0]=4 14446 B16R1.4325 CCC(CC)COc1cc(ccc1OC)C 7a_100011216497_100011215472 [0,2,0,0,0,0|2,0,0]=4 14447 B16R1.4325 CCC(CC)COc1cc(ccc1OC)Cl 34a_100000101779_100011215472 [0,2,0,0,0,0|2,0,0]=4 14448 B16R1.4325 CCC(CC)COc1cc(ccc1OC)Cl 7a_100000101779_100011215472 [0,2,0,0,0,0|2,0,0]=4 14449 B16R1.4325 CCC(CC)COc1cc(ccc1OC)F 34a_100000034962_100011215472 [0,2,0,0,0,0|2,0,0]=4 14450 B16R1.4325 CCC(CC)COc1cc(ccc1OC)F 7a_100000034962_100011215472 [0,2,0,0,0,0|2,0,0]=4 14451 B16R1.4325 CCC(CC)COc1cc(ccc1OC)N 34a_100000211920_100011215472 [0,2,0,0,0,0|2,0,0]=4 14452 B16R1.4325 COc1ccc(cc1CNC(CO)CO)Br 207a_100000759517_100000170026 [0,2,0,0,0,0|2,0,0]=4 14453 B16R1.4325 COc1ccc(cc1CNC(CO)CO)Br 2230a_100000759517_100000204665 [0,2,0,0,0,0|2,0,0]=4 14454 B16R1.4325 COc1ccc(cc1CNC(CO)CO)C 207a_100000759517_100000203738 [0,2,0,0,0,0|2,0,0]=4 14455 B16R1.4325 COc1ccc(cc1CNC(CO)CO)C 2230a_100000759517_100000199068 [0,2,0,0,0,0|2,0,0]=4 14456 B16R1.4325 COc1ccc(cc1CNC(CO)CO)Cl 207a_100000759517_100000188328 [0,2,0,0,0,0|2,0,0]=4 14457 B16R1.4325 COc1ccc(cc1CNC(CO)CO)Cl 2230a_100000759517_100000209806 [0,2,0,0,0,0|2,0,0]=4 14458 B16R1.4325 COc1ccc(cc1CNC(CO)CO)F 207a_100000759517_100000722865 [0,2,0,0,0,0|2,0,0]=4 14459 B16R1.4325 COc1ccc(cc1CNC(CO)CO)F 2230a_100000759517_100011830354 [0,2,0,0,0,0|2,0,0]=4 14460 B16R1.4325 COc1ccc(cc1CNC(CO)CO)I 207a_100000759517_100011266407 [0,2,0,0,0,0|2,0,0]=4 14461 B16R1.4325 COc1ccc(cc1CNC(CO)CO)O 207a_100000759517_100000067581 [0,2,0,0,0,0|2,0,0]=4 14462 B16R1.4325 COc1ccc(cc1OCC(OC)OC)Br 34a_100009816560_100000211822 [0,2,0,0,0,0|2,0,0]=4 14463 B16R1.4325 COc1ccc(cc1OCC(OC)OC)Br 7a_100009816560_100000751394 [0,2,0,0,0,0|2,0,0]=4 14464 B16R1.4325 COc1ccc(cc1OCC(OC)OC)C 34a_100011216497_100000211822 [0,2,0,0,0,0|2,0,0]=4 14465 B16R1.4325 COc1ccc(cc1OCC(OC)OC)C 7a_100011216497_100000751394 [0,2,0,0,0,0|2,0,0]=4 14466 B16R1.4325 COc1ccc(cc1OCC(OC)OC)Cl 34a_100000101779_100000211822 [0,2,0,0,0,0|2,0,0]=4 14467 B16R1.4325 COc1ccc(cc1OCC(OC)OC)Cl 7a_100000101779_100000751394 [0,2,0,0,0,0|2,0,0]=4 14468 B16R1.4325 COc1ccc(cc1OCC(OC)OC)F 34a_100000034962_100000211822 [0,2,0,0,0,0|2,0,0]=4 14469 B16R1.4325 COc1ccc(cc1OCC(OC)OC)F 7a_100000034962_100000751394 [0,2,0,0,0,0|2,0,0]=4 14470 B16R1.4325 COc1ccc(cc1OCC(OC)OC)N 34a_100000211920_100000211822 [0,2,0,0,0,0|2,0,0]=4 14471 B16R1.4743 CCC(CC)COc1ccc(cc1OC)Br 34a_100000694246_100011215472 [0,2,0,0,0,0|2,0,0]=4 14472 B16R1.4743 CCC(CC)COc1ccc(cc1OC)Br 7a_100000694246_100011215472 [0,2,0,0,0,0|2,0,0]=4 14473 B16R1.4743 CCC(CC)COc1ccc(cc1OC)C 34a_100000186466_100011215472 [0,2,0,0,0,0|2,0,0]=4 14474 B16R1.4743 CCC(CC)COc1ccc(cc1OC)Cl 34a_100000033002_100011215472 [0,2,0,0,0,0|2,0,0]=4 14475 B16R1.4743 CCC(CC)COc1ccc(cc1OC)F 34a_100000036057_100011215472 [0,2,0,0,0,0|2,0,0]=4 14476 B16R1.4743 CCC(CC)COc1ccc(cc1OC)F 7a_100000036057_100011215472 [0,2,0,0,0,0|2,0,0]=4 14477 B16R1.4743 CCC(CC)COc1ccc(cc1OC)I 34a_100000049635_100011215472 [0,2,0,0,0,0|2,0,0]=4 14478 B16R1.4743 CCC(CC)COc1ccc(cc1OC)N 34a_100000726020_100011215472 [0,2,0,0,0,0|2,0,0]=4 14479 B16R1.4743 COc1cc(ccc1CNC(CO)CO)Br 207a_100000759517_100000697075 [0,2,0,0,0,0|2,0,0]=4 14480 B16R1.4743 COc1cc(ccc1CNC(CO)CO)Br 2230a_100000759517_100012359436 [0,2,0,0,0,0|2,0,0]=4 14481 B16R1.4743 COc1cc(ccc1CNC(CO)CO)C 207a_100000759517_100000689369 [0,2,0,0,0,0|2,0,0]=4 14482 B16R1.4743 COc1cc(ccc1CNC(CO)CO)Cl 207a_100000759517_100000235374 [0,2,0,0,0,0|2,0,0]=4 14483 B16R1.4743 COc1cc(ccc1CNC(CO)CO)F 207a_100000759517_100000042785 [0,2,0,0,0,0|2,0,0]=4 14484 B16R1.4743 COc1cc(ccc1CNC(CO)CO)F 2230a_100000759517_200010171551 [0,2,0,0,0,0|2,0,0]=4 14485 B16R1.4743 COc1cc(ccc1CNC(CO)CO)I 207a_100000759517_100010290300 [0,2,0,0,0,0|2,0,0]=4 14486 B16R1.4743 COc1cc(ccc1OCC(OC)OC)Br 34a_100000694246_100000211822 [0,2,0,0,0,0|2,0,0]=4 14487 B16R1.4743 COc1cc(ccc1OCC(OC)OC)Br 7a_100000694246_100000751394 [0,2,0,0,0,0|2,0,0]=4 14488 B16R1.4743 COc1cc(ccc1OCC(OC)OC)C 34a_100000186466_100000211822 [0,2,0,0,0,0|2,0,0]=4 14489 B16R1.4743 COc1cc(ccc1OCC(OC)OC)Cl 34a_100000033002_100000211822 [0,2,0,0,0,0|2,0,0]=4 14490 B16R1.4743 COc1cc(ccc1OCC(OC)OC)F 34a_100000036057_100000211822 [0,2,0,0,0,0|2,0,0]=4 14491 B16R1.4743 COc1cc(ccc1OCC(OC)OC)F 7a_100000036057_100000751394 [0,2,0,0,0,0|2,0,0]=4 14492 B16R1.4743 COc1cc(ccc1OCC(OC)OC)I 34a_100000049635_100000211822 [0,2,0,0,0,0|2,0,0]=4 14493 B16R1.4743 COc1cc(ccc1OCC(OC)OC)N 34a_100000726020_100000211822 [0,2,0,0,0,0|2,0,0]=4 14494 B16R1.5568 COc1ccccc1C(=O)NC(CO)CO 240690a_100000759517_100000185835 [0,2,0,0,0,0|2,0,0]=4 14495 B16R1.5568 COc1ccccc1C(=O)NC(CO)CO 527a_100000759517_100000185835 [0,2,0,0,0,0|2,0,0]=4 14496 B16R1.6230 CCC(CC)COc1cccc(c1OC)Br 34a_100010234590_100011215472 [0,2,0,0,0,0|2,0,0]=4 14497 B16R1.6230 CCC(CC)COc1cccc(c1OC)Cl 34a_200009886253_100011215472 [0,2,0,0,0,0|2,0,0]=4 14498 B16R1.6230 CCC(CC)COc1cccc(c1OC)Cl 7a_200009886253_100011215472 [0,2,0,0,0,0|2,0,0]=4 14499 B16R1.6230 COc1c(cccc1CNC(CO)CO)Br 207a_100000759517_100000692592 [0,2,0,0,0,0|2,0,0]=4 14500 B16R1.6230 COc1c(cccc1CNC(CO)CO)Br 2230a_100000759517_100011470457 [0,2,0,0,0,0|2,0,0]=4 14501 B16R1.6230 COc1c(cccc1CNC(CO)CO)C 207a_100000759517_100011361485 [0,2,0,0,0,0|2,0,0]=4 14502 B16R1.6230 COc1c(cccc1CNC(CO)CO)C 2230a_100000759517_100012349798 [0,2,0,0,0,0|2,0,0]=4 14503 B16R1.6230 COc1c(cccc1CNC(CO)CO)Cl 207a_100000759517_100011466644 [0,2,0,0,0,0|2,0,0]=4 14504 B16R1.6230 COc1c(cccc1CNC(CO)CO)F 207a_100000759517_100011830294 [0,2,0,0,0,0|2,0,0]=4 14505 B16R1.6230 COc1c(cccc1OCC(OC)OC)Br 34a_100010234590_100000211822 [0,2,0,0,0,0|2,0,0]=4 14506 B16R1.6230 COc1c(cccc1OCC(OC)OC)Cl 34a_200009886253_100000211822 [0,2,0,0,0,0|2,0,0]=4 14507 B16R1.6230 COc1c(cccc1OCC(OC)OC)Cl 7a_200009886253_100000751394 [0,2,0,0,0,0|2,0,0]=4 14508 B16R1.19285 COc1ccccc1OC(C)C(OC)OC 34a_100000210385_100011222894 [0,2,0,0,0,0|2,0,0]=4 14509 B16R1.19773 CCC(CC)COc1c(cccc1OC)Br 34a_100000686866_100011215472 [0,2,0,0,0,0|2,0,0]=4 14510 B16R1.19773 CCC(CC)COc1c(cccc1OC)C 34a_100011219253_100011215472 [0,2,0,0,0,0|2,0,0]=4 14511 B16R1.19773 CCC(CC)COc1c(cccc1OC)C 7a_100011219253_100011215472 [0,2,0,0,0,0|2,0,0]=4 14512 B16R1.19773 CCC(CC)COc1c(cccc1OC)Cl 34a_100009851661_100011215472 [0,2,0,0,0,0|2,0,0]=4 14513 B16R1.19773 CCC(CC)COc1c(cccc1OC)Cl 7a_100009851661_100011215472 [0,2,0,0,0,0|2,0,0]=4 14514 B16R1.19773 CCC(CC)COc1c(cccc1OC)F 34a_100000036725_100011215472 [0,2,0,0,0,0|2,0,0]=4 14515 B16R1.19773 CCC(CC)COc1c(cccc1OC)F 7a_100000036725_100011215472 [0,2,0,0,0,0|2,0,0]=4 14516 B16R1.19773 CCC(CC)COc1c(cccc1OC)N 34a_100000123586_100011215472 [0,2,0,0,0,0|2,0,0]=4 14517 B16R1.19773 COc1cccc(c1CNC(CO)CO)Br 207a_100000759517_100009814803 [0,2,0,0,0,0|2,0,0]=4 14518 B16R1.19773 COc1cccc(c1CNC(CO)CO)C 207a_100000759517_100000050978 [0,2,0,0,0,0|2,0,0]=4 14519 B16R1.19773 COc1cccc(c1CNC(CO)CO)Cl 207a_100000759517_100000757644 [0,2,0,0,0,0|2,0,0]=4 14520 B16R1.19773 COc1cccc(c1CNC(CO)CO)Cl 2230a_100000759517_100012349678 [0,2,0,0,0,0|2,0,0]=4 14521 B16R1.19773 COc1cccc(c1CNC(CO)CO)F 207a_100000759517_100011216730 [0,2,0,0,0,0|2,0,0]=4 14522 B16R1.19773 COc1cccc(c1CNC(CO)CO)F 2230a_100000759517_100011216731 [0,2,0,0,0,0|2,0,0]=4 14523 B16R1.19773 COc1cccc(c1OCC(OC)OC)Br 34a_100000686866_100000211822 [0,2,0,0,0,0|2,0,0]=4 14524 B16R1.19773 COc1cccc(c1OCC(OC)OC)C 34a_100011219253_100000211822 [0,2,0,0,0,0|2,0,0]=4 14525 B16R1.19773 COc1cccc(c1OCC(OC)OC)C 7a_100011219253_100000751394 [0,2,0,0,0,0|2,0,0]=4 14526 B16R1.19773 COc1cccc(c1OCC(OC)OC)Cl 34a_100009851661_100000211822 [0,2,0,0,0,0|2,0,0]=4 14527 B16R1.19773 COc1cccc(c1OCC(OC)OC)Cl 7a_100009851661_100000751394 [0,2,0,0,0,0|2,0,0]=4 14528 B16R1.19773 COc1cccc(c1OCC(OC)OC)F 34a_100000036725_100000211822 [0,2,0,0,0,0|2,0,0]=4 14529 B16R1.19773 COc1cccc(c1OCC(OC)OC)F 7a_100000036725_100000751394 [0,2,0,0,0,0|2,0,0]=4 14530 B16R1.19773 COc1cccc(c1OCC(OC)OC)N 34a_100000123586_100000211822 [0,2,0,0,0,0|2,0,0]=4 14531 B16R1.83372 COc1ccccc1CNC(C)(CO)CO 207a_100000764395_100000169842 [0,2,0,0,0,0|2,0,0]=4 14532 B16R1.83372 COc1ccccc1OCC(C)(OC)OC 34a_100000210385_100000766008 [0,2,0,0,0,0|2,0,0]=4 14533 B16R1.4754 COc1cc(ccc1CC(=O)C(O)CO)Br 1458a_100011215603_100012359436 [0,2,0,0,0,0|1,0,1]=4 14534 B16R1.4754 COc1cc(ccc1CC(=O)C(O)CO)F 1458a_100011215603_200010171551 [0,2,0,0,0,0|1,0,1]=4 14535 B16R1.4754 COc1cc(ccc1NC(=O)C(O)CO)Br 22a_100011279103_100011215603 [0,2,0,0,0,0|1,0,1]=4 14536 B16R1.4754 COc1cc(ccc1NC(=O)C(O)CO)C 22a_100000746441_100011215603 [0,2,0,0,0,0|1,0,1]=4 14537 B16R1.4754 COc1cc(ccc1NC(=O)C(O)CO)Cl 22a_100000707585_100011215603 [0,2,0,0,0,0|1,0,1]=4 14538 B16R1.4754 COc1cc(ccc1NC(=O)C(O)CO)F 22a_100000737216_100011215603 [0,2,0,0,0,0|1,0,1]=4 14539 B16R1.4754 COc1cc(ccc1NC(=O)C(O)CO)I 22a_100015196925_100011215603 [0,2,0,0,0,0|1,0,1]=4 14540 B16R1.4754 COc1cc(ccc1NC(=O)C(O)CO)O 22a_100015326901_100011215603 [0,2,0,0,0,0|1,0,1]=4 14541 B16R1.6231 COc1c(cccc1CC(=O)C(O)CO)Br 1458a_100011215603_100011470457 [0,2,0,0,0,0|1,0,1]=4 14542 B16R1.6231 COc1c(cccc1CC(=O)C(O)CO)C 1458a_100011215603_100012349798 [0,2,0,0,0,0|1,0,1]=4 14543 B16R1.6231 COc1c(cccc1NC(=O)C(O)CO)Br 22a_100011935253_100011215603 [0,2,0,0,0,0|1,0,1]=4 14544 B16R1.6231 COc1c(cccc1NC(=O)C(O)CO)C 22a_100012017360_100011215603 [0,2,0,0,0,0|1,0,1]=4 14545 B16R1.6231 COc1c(cccc1NC(=O)C(O)CO)Cl 22a_100000743799_100011215603 [0,2,0,0,0,0|1,0,1]=4 14546 B16R1.6231 COc1c(cccc1NC(=O)C(O)CO)F 22a_100011215007_100011215603 [0,2,0,0,0,0|1,0,1]=4 14547 B16R1.18703 COc1ccccc1N(C)C(=O)C(O)CO 22a_100000219746_100011215603 [0,2,0,0,0,0|1,0,1]=4 14548 B16R1.25112 COc1ccc(cc1CC(=O)C(O)CO)Br 1458a_100011215603_100000204665 [0,2,0,0,0,0|1,0,1]=4 14549 B16R1.25112 COc1ccc(cc1CC(=O)C(O)CO)C 1458a_100011215603_100000199068 [0,2,0,0,0,0|1,0,1]=4 14550 B16R1.25112 COc1ccc(cc1CC(=O)C(O)CO)Cl 1458a_100011215603_100000209806 [0,2,0,0,0,0|1,0,1]=4 14551 B16R1.25112 COc1ccc(cc1CC(=O)C(O)CO)F 1458a_100011215603_100011830354 [0,2,0,0,0,0|1,0,1]=4 14552 B16R1.25112 COc1ccc(cc1NC(=O)C(O)CO)Br 22a_100000743470_100011215603 [0,2,0,0,0,0|1,0,1]=4 14553 B16R1.25112 COc1ccc(cc1NC(=O)C(O)CO)C 22a_100000210980_100011215603 [0,2,0,0,0,0|1,0,1]=4 14554 B16R1.25112 COc1ccc(cc1NC(=O)C(O)CO)Cl 22a_100000182114_100011215603 [0,2,0,0,0,0|1,0,1]=4 14555 B16R1.25112 COc1ccc(cc1NC(=O)C(O)CO)F 22a_100000757179_100011215603 [0,2,0,0,0,0|1,0,1]=4 14556 B16R1.25112 COc1ccc(cc1NC(=O)C(O)CO)I 22a_100011249504_100011215603 [0,2,0,0,0,0|1,0,1]=4 14557 B16R1.86889 COc1cccc(c1CC(=O)C(O)CO)Cl 1458a_100011215603_100012349678 [0,2,0,0,0,0|1,0,1]=4 14558 B16R1.86889 COc1cccc(c1CC(=O)C(O)CO)F 1458a_100011215603_100011216731 [0,2,0,0,0,0|1,0,1]=4 14559 B16R1.86889 COc1cccc(c1NC(=O)C(O)CO)Br 22a_100000708083_100011215603 [0,2,0,0,0,0|1,0,1]=4 14560 B16R1.86889 COc1cccc(c1NC(=O)C(O)CO)C 22a_100000758225_100011215603 [0,2,0,0,0,0|1,0,1]=4 14561 B16R1.86889 COc1cccc(c1NC(=O)C(O)CO)Cl 22a_100011309317_100011215603 [0,2,0,0,0,0|1,0,1]=4 14562 B16R1.86889 COc1cccc(c1NC(=O)C(O)CO)F 22a_100000686744_100011215603 [0,2,0,0,0,0|1,0,1]=4 14563 B16R1.86889 COc1cccc(c1NC(=O)C(O)CO)O 22a_100012022766_100011215603 [0,2,0,0,0,0|1,0,1]=4 14564 B16R1.467 C=CC(O)COc1c(cc(cc1OC)F)Br 34a_200010391102_100000730141 [0,2,0,0,0,0|1,0,1]=4 14565 B16R1.467 C=CC(O)COc1c(cc(cc1OC)F)Br 7a_200010391102_100000730141 [0,2,0,0,0,0|1,0,1]=4 14566 B16R1.467 CCC(C)COc1c(cc(cc1OC)F)Br 34a_200010391102_100000748023 [0,2,0,0,0,0|2,0,0]=4 14567 B16R1.467 CCC(C)COc1c(cc(cc1OC)F)Br 7a_200010391102_100000748023 [0,2,0,0,0,0|2,0,0]=4 14568 B16R1.467 CCC(O)CNc1c(cc(cc1OC)Br)Br 34a_100010253907_100011218378 [0,2,0,0,0,0|2,0,0]=4 14569 B16R1.467 CCC(O)CNc1c(cc(cc1OC)Br)C 34a_100000741850_100011218378 [0,2,0,0,0,0|2,0,0]=4 14570 B16R1.467 CCC(O)CNc1c(cc(cc1OC)Cl)Br 34a_200010138668_100011218378 [0,2,0,0,0,0|2,0,0]=4 14571 B16R1.467 CCC(O)CNc1c(cc(cc1OC)Cl)Cl 34a_100009955935_100011218378 [0,2,0,0,0,0|2,0,0]=4 14572 B16R1.467 CCC(O)CNc1c(cc(cc1OC)F)Br 34a_100011004115_100011218378 [0,2,0,0,0,0|2,0,0]=4 14573 B16R1.467 CCC(O)COc1c(cc(cc1OC)F)Br 34a_200010391102_100011218378 [0,2,0,0,0,0|1,0,0]=3 14574 B16R1.467 CCC(O)COc1c(cc(cc1OC)F)Br 7a_200010391102_100011218378 [0,2,0,0,0,0|1,0,0]=3 14575 B16R1.467 CCC(O)CSc1c(cc(cc1OC)Br)F 62a_100010713143_100011218378 [0,2,0,0,0,0|1,1,0]=4 14576 B16R1.467 CCC(O)CSc1c(cc(cc1OC)Br)F 62a_100011218378_100010713143 [0,2,0,0,0,0|1,1,0]=4 14577 B16R1.467 CCC(O)CSc1c(cc(cc1OC)Cl)Br 62a_100011218378_100025705407 [0,2,0,0,0,0|1,1,0]=4 14578 B16R1.467 CCC(O)CSc1c(cc(cc1OC)Cl)Br 62a_100025705407_100011218378 [0,2,0,0,0,0|1,1,0]=4 14579 B16R1.467 CCC(O)CSc1c(cc(cc1OC)Cl)Cl 62a_100010292537_100011218378 [0,2,0,0,0,0|1,1,0]=4 14580 B16R1.467 CCC(O)CSc1c(cc(cc1OC)Cl)Cl 62a_100011218378_100010292537 [0,2,0,0,0,0|1,1,0]=4 14581 B16R1.467 CC[C@H](C)COc1c(cc(cc1OC)F)Br 34a_200010391102_100009816398 [0,2,0,0,0,0|2,0,0]=4 14582 B16R1.467 CC[C@H](C)COc1c(cc(cc1OC)F)Br 7a_200010391102_100009816398 [0,2,0,0,0,0|2,0,0]=4 14583 B16R1.467 CCc1cc(cc(c1NCC(O)CO)Br)Br 34a_200012361292_100011219619 [0,2,0,0,0,0|2,0,0]=4 14584 B16R1.467 CCc1cc(cc(c1NCC(O)CO)Br)Br 7a_200012361292_100011219619 [0,2,0,0,0,0|2,0,0]=4 14585 B16R1.467 CCc1cc(cc(c1NCC(O)CO)C)Br 2230a_200000186424_100011219619 [0,2,0,0,0,0|2,0,0]=4 14586 B16R1.467 CCc1cc(cc(c1NCC(O)CO)C)Br 34a_200000186424_100011219619 [0,2,0,0,0,0|2,0,0]=4 14587 B16R1.467 CCc1cc(cc(c1NCC(O)CO)C)Br 7a_200000186424_100011219619 [0,2,0,0,0,0|2,0,0]=4 14588 B16R1.467 CCc1cc(cc(c1NC[C@@H](O)CO)Br)Br 34a_200012361292_100009815848 [0,2,0,0,0,0|2,0,0]=4 14589 B16R1.467 CCc1cc(cc(c1NC[C@@H](O)CO)Br)Br 7a_200012361292_100009815848 [0,2,0,0,0,0|2,0,0]=4 14590 B16R1.467 CCc1cc(cc(c1NC[C@@H](O)CO)C)Br 2230a_200000186424_100009815848 [0,2,0,0,0,0|2,0,0]=4 14591 B16R1.467 CCc1cc(cc(c1NC[C@@H](O)CO)C)Br 34a_200000186424_100009815848 [0,2,0,0,0,0|2,0,0]=4 14592 B16R1.467 CCc1cc(cc(c1NC[C@@H](O)CO)C)Br 7a_200000186424_100009815848 [0,2,0,0,0,0|2,0,0]=4 14593 B16R1.467 CCc1cc(cc(c1OCC(O)CC)C)Br 34a_100010659108_100011218378 [0,2,0,0,0,0|2,0,0]=4 14594 B16R1.467 CCc1cc(cc(c1OCC(O)CC)C)Br 7a_100010659108_100011218378 [0,2,0,0,0,0|2,0,0]=4 14595 B16R1.467 CCc1cc(cc(c1OCC(O)CO)C)Br 34a_100010659108_100011219619 [0,2,0,0,0,0|1,0,0]=3 14596 B16R1.467 CCc1cc(cc(c1OCC(O)CO)C)Br 7a_100010659108_100011219619 [0,2,0,0,0,0|1,0,0]=3 14597 B16R1.467 CCc1cc(cc(c1OC[C@@H](C)CO)C)Br 34a_100010659108_100000059175 [0,2,0,0,0,0|2,0,0]=4 14598 B16R1.467 CCc1cc(cc(c1OC[C@@H](C)CO)C)Br 7a_100010659108_100000059175 [0,2,0,0,0,0|2,0,0]=4 14599 B16R1.467 CCc1cc(cc(c1OC[C@@H](O)CF)C)Br 34a_100010659108_100015614560 [0,2,0,0,0,0|2,0,0]=4 14600 B16R1.467 CCc1cc(cc(c1OC[C@@H](O)CF)C)Br 7a_100010659108_100015614560 [0,2,0,0,0,0|2,0,0]=4 14601 B16R1.467 CCc1cc(cc(c1OC[C@@H](O)CO)C)Br 34a_100010659108_100009815848 [0,2,0,0,0,0|1,0,0]=3 14602 B16R1.467 CCc1cc(cc(c1OC[C@@H](O)CO)C)Br 7a_100010659108_100009815848 [0,2,0,0,0,0|1,0,0]=3 14603 B16R1.467 COc1cc(cc(c1NCC(O)CO)Br)Br 34a_100010253907_100011219619 [0,2,0,0,0,0|1,0,0]=3 14604 B16R1.467 COc1cc(cc(c1NCC(O)CO)Br)Cl 34a_200010138668_100011219619 [0,2,0,0,0,0|1,0,0]=3 14605 B16R1.467 COc1cc(cc(c1NCC(O)CO)Br)F 34a_100011004115_100011219619 [0,2,0,0,0,0|1,0,0]=3 14606 B16R1.467 COc1cc(cc(c1NCC(O)CO)C)Br 34a_100000741850_100011219619 [0,2,0,0,0,0|1,0,0]=3 14607 B16R1.467 COc1cc(cc(c1NCC(O)CO)Cl)Cl 34a_100009955935_100011219619 [0,2,0,0,0,0|1,0,0]=3 14608 B16R1.467 COc1cc(cc(c1NC[C@@H](C)CO)Br)Br 34a_100010253907_100000059175 [0,2,0,0,0,0|2,0,0]=4 14609 B16R1.467 COc1cc(cc(c1NC[C@@H](C)CO)Br)Cl 34a_200010138668_100000059175 [0,2,0,0,0,0|2,0,0]=4 14610 B16R1.467 COc1cc(cc(c1NC[C@@H](C)CO)Br)F 34a_100011004115_100000059175 [0,2,0,0,0,0|2,0,0]=4 14611 B16R1.467 COc1cc(cc(c1NC[C@@H](C)CO)C)Br 34a_100000741850_100000059175 [0,2,0,0,0,0|2,0,0]=4 14612 B16R1.467 COc1cc(cc(c1NC[C@@H](C)CO)Cl)Cl 34a_100009955935_100000059175 [0,2,0,0,0,0|2,0,0]=4 14613 B16R1.467 COc1cc(cc(c1NC[C@@H](O)CF)Br)Br 34a_100010253907_100015614560 [0,2,0,0,0,0|2,0,0]=4 14614 B16R1.467 COc1cc(cc(c1NC[C@@H](O)CF)Br)Cl 34a_200010138668_100015614560 [0,2,0,0,0,0|2,0,0]=4 14615 B16R1.467 COc1cc(cc(c1NC[C@@H](O)CF)Br)F 34a_100011004115_100015614560 [0,2,0,0,0,0|2,0,0]=4 14616 B16R1.467 COc1cc(cc(c1NC[C@@H](O)CF)C)Br 34a_100000741850_100015614560 [0,2,0,0,0,0|2,0,0]=4 14617 B16R1.467 COc1cc(cc(c1NC[C@@H](O)CF)Cl)Cl 34a_100009955935_100015614560 [0,2,0,0,0,0|2,0,0]=4 14618 B16R1.467 COc1cc(cc(c1NC[C@@H](O)CO)Br)Br 34a_100010253907_100009815848 [0,2,0,0,0,0|1,0,0]=3 14619 B16R1.467 COc1cc(cc(c1NC[C@@H](O)CO)Br)Cl 34a_200010138668_100009815848 [0,2,0,0,0,0|1,0,0]=3 14620 B16R1.467 COc1cc(cc(c1NC[C@@H](O)CO)Br)F 34a_100011004115_100009815848 [0,2,0,0,0,0|1,0,0]=3 14621 B16R1.467 COc1cc(cc(c1NC[C@@H](O)CO)C)Br 34a_100000741850_100009815848 [0,2,0,0,0,0|1,0,0]=3 14622 B16R1.467 COc1cc(cc(c1NC[C@@H](O)CO)Cl)Cl 34a_100009955935_100009815848 [0,2,0,0,0,0|1,0,0]=3 14623 B16R1.467 COc1cc(cc(c1OCC(O)CO)Br)F 34a_200010391102_100011219619 [0,2,0,0,0,0|0,0,0]=2 14624 B16R1.467 COc1cc(cc(c1OCC(O)CO)Br)F 7a_200010391102_100011219619 [0,2,0,0,0,0|0,0,0]=2 14625 B16R1.467 COc1cc(cc(c1OC[C@@H](C)CO)Br)F 34a_200010391102_100000059175 [0,2,0,0,0,0|1,0,0]=3 14626 B16R1.467 COc1cc(cc(c1OC[C@@H](C)CO)Br)F 7a_200010391102_100000059175 [0,2,0,0,0,0|1,0,0]=3 14627 B16R1.467 COc1cc(cc(c1OC[C@@H](O)CF)Br)F 34a_200010391102_100015614560 [0,2,0,0,0,0|1,0,0]=3 14628 B16R1.467 COc1cc(cc(c1OC[C@@H](O)CF)Br)F 7a_200010391102_100015614560 [0,2,0,0,0,0|1,0,0]=3 14629 B16R1.467 COc1cc(cc(c1OC[C@@H](O)CO)Br)F 34a_200010391102_100009815848 [0,2,0,0,0,0|0,0,0]=2 14630 B16R1.467 COc1cc(cc(c1OC[C@@H](O)CO)Br)F 7a_200010391102_100009815848 [0,2,0,0,0,0|0,0,0]=2 14631 B16R1.467 COc1cc(cc(c1SCC(O)CO)Br)Cl 62a_100011219619_100025705407 [0,2,0,0,0,0|0,1,0]=3 14632 B16R1.467 COc1cc(cc(c1SCC(O)CO)Br)Cl 62a_100025705407_100011219619 [0,2,0,0,0,0|0,1,0]=3 14633 B16R1.467 COc1cc(cc(c1SCC(O)CO)Cl)Cl 62a_100010292537_100011219619 [0,2,0,0,0,0|0,1,0]=3 14634 B16R1.467 COc1cc(cc(c1SCC(O)CO)Cl)Cl 62a_100011219619_100010292537 [0,2,0,0,0,0|0,1,0]=3 14635 B16R1.467 COc1cc(cc(c1SCC(O)CO)F)Br 62a_100010713143_100011219619 [0,2,0,0,0,0|0,1,0]=3 14636 B16R1.467 COc1cc(cc(c1SCC(O)CO)F)Br 62a_100011219619_100010713143 [0,2,0,0,0,0|0,1,0]=3 14637 B16R1.467 COc1cc(cc(c1SC[C@@H](C)CO)Br)Cl 62a_100000059175_100025705407 [0,2,0,0,0,0|1,1,0]=4 14638 B16R1.467 COc1cc(cc(c1SC[C@@H](C)CO)Br)Cl 62a_100025705407_100000059175 [0,2,0,0,0,0|1,1,0]=4 14639 B16R1.467 COc1cc(cc(c1SC[C@@H](C)CO)Cl)Cl 62a_100000059175_100010292537 [0,2,0,0,0,0|1,1,0]=4 14640 B16R1.467 COc1cc(cc(c1SC[C@@H](C)CO)Cl)Cl 62a_100010292537_100000059175 [0,2,0,0,0,0|1,1,0]=4 14641 B16R1.467 COc1cc(cc(c1SC[C@@H](C)CO)F)Br 62a_100000059175_100010713143 [0,2,0,0,0,0|1,1,0]=4 14642 B16R1.467 COc1cc(cc(c1SC[C@@H](C)CO)F)Br 62a_100010713143_100000059175 [0,2,0,0,0,0|1,1,0]=4 14643 B16R1.467 COc1cc(cc(c1SC[C@@H](O)CF)Br)Cl 62a_100015614560_100025705407 [0,2,0,0,0,0|1,1,0]=4 14644 B16R1.467 COc1cc(cc(c1SC[C@@H](O)CF)Br)Cl 62a_100025705407_100015614560 [0,2,0,0,0,0|1,1,0]=4 14645 B16R1.467 COc1cc(cc(c1SC[C@@H](O)CF)Cl)Cl 62a_100010292537_100015614560 [0,2,0,0,0,0|1,1,0]=4 14646 B16R1.467 COc1cc(cc(c1SC[C@@H](O)CF)Cl)Cl 62a_100015614560_100010292537 [0,2,0,0,0,0|1,1,0]=4 14647 B16R1.467 COc1cc(cc(c1SC[C@@H](O)CF)F)Br 62a_100010713143_100015614560 [0,2,0,0,0,0|1,1,0]=4 14648 B16R1.467 COc1cc(cc(c1SC[C@@H](O)CF)F)Br 62a_100015614560_100010713143 [0,2,0,0,0,0|1,1,0]=4 14649 B16R1.467 COc1cc(cc(c1SC[C@@H](O)CO)Br)Cl 62a_100009815848_100025705407 [0,2,0,0,0,0|0,1,0]=3 14650 B16R1.467 COc1cc(cc(c1SC[C@@H](O)CO)Br)Cl 62a_100025705407_100009815848 [0,2,0,0,0,0|0,1,0]=3 14651 B16R1.467 COc1cc(cc(c1SC[C@@H](O)CO)Cl)Cl 62a_100009815848_100010292537 [0,2,0,0,0,0|0,1,0]=3 14652 B16R1.467 COc1cc(cc(c1SC[C@@H](O)CO)Cl)Cl 62a_100010292537_100009815848 [0,2,0,0,0,0|0,1,0]=3 14653 B16R1.467 COc1cc(cc(c1SC[C@@H](O)CO)F)Br 62a_100009815848_100010713143 [0,2,0,0,0,0|0,1,0]=3 14654 B16R1.467 COc1cc(cc(c1SC[C@@H](O)CO)F)Br 62a_100010713143_100009815848 [0,2,0,0,0,0|0,1,0]=3 14655 B16R1.467 Cc1cc(cc(c1OCC(O)CO)C#N)Br 34a_100010195408_100011219619 [0,2,0,0,0,0|2,0,0]=4 14656 B16R1.467 Cc1cc(cc(c1OCC(O)CO)C#N)Br 7a_100010195408_100011219619 [0,2,0,0,0,0|2,0,0]=4 14657 B16R1.467 Cc1cc(cc(c1OC[C@@H](O)CO)C#N)Br 34a_100010195408_100009815848 [0,2,0,0,0,0|2,0,0]=4 14658 B16R1.467 Cc1cc(cc(c1OC[C@@H](O)CO)C#N)Br 7a_100010195408_100009815848 [0,2,0,0,0,0|2,0,0]=4 14659 B16R1.467 N#Cc1cc(cc(c1OCC(O)CO)Br)Br 34a_100009814147_100011219619 [0,2,0,0,0,0|2,0,0]=4 14660 B16R1.467 N#Cc1cc(cc(c1OCC(O)CO)Br)Br 7a_100009814147_100011219619 [0,2,0,0,0,0|2,0,0]=4 14661 B16R1.467 N#Cc1cc(cc(c1OCC(O)CO)Br)F 34a_100010674538_100011219619 [0,2,0,0,0,0|2,0,0]=4 14662 B16R1.467 N#Cc1cc(cc(c1OCC(O)CO)Br)F 7a_100010674538_100011219619 [0,2,0,0,0,0|2,0,0]=4 14663 B16R1.467 N#Cc1cc(cc(c1OCC(O)CO)Cl)Br 34a_100010218075_100011219619 [0,2,0,0,0,0|2,0,0]=4 14664 B16R1.467 N#Cc1cc(cc(c1OCC(O)CO)Cl)Br 7a_100010218075_100011219619 [0,2,0,0,0,0|2,0,0]=4 14665 B16R1.467 N#Cc1cc(cc(c1OCC(O)CO)F)F 34a_100000068412_100011219619 [0,2,0,0,0,0|2,0,0]=4 14666 B16R1.467 N#Cc1cc(cc(c1OCC(O)CO)F)F 7a_100000068412_100011219619 [0,2,0,0,0,0|2,0,0]=4 14667 B16R1.467 N#Cc1cc(cc(c1OC[C@@H](O)CO)Br)Br 34a_100009814147_100009815848 [0,2,0,0,0,0|2,0,0]=4 14668 B16R1.467 N#Cc1cc(cc(c1OC[C@@H](O)CO)Br)Br 7a_100009814147_100009815848 [0,2,0,0,0,0|2,0,0]=4 14669 B16R1.467 N#Cc1cc(cc(c1OC[C@@H](O)CO)Br)F 34a_100010674538_100009815848 [0,2,0,0,0,0|2,0,0]=4 14670 B16R1.467 N#Cc1cc(cc(c1OC[C@@H](O)CO)Br)F 7a_100010674538_100009815848 [0,2,0,0,0,0|2,0,0]=4 14671 B16R1.467 N#Cc1cc(cc(c1OC[C@@H](O)CO)Cl)Br 34a_100010218075_100009815848 [0,2,0,0,0,0|2,0,0]=4 14672 B16R1.467 N#Cc1cc(cc(c1OC[C@@H](O)CO)Cl)Br 7a_100010218075_100009815848 [0,2,0,0,0,0|2,0,0]=4 14673 B16R1.467 N#Cc1cc(cc(c1OC[C@@H](O)CO)F)F 34a_100000068412_100009815848 [0,2,0,0,0,0|2,0,0]=4 14674 B16R1.467 N#Cc1cc(cc(c1OC[C@@H](O)CO)F)F 7a_100000068412_100009815848 [0,2,0,0,0,0|2,0,0]=4 14675 B16R1.467 OCC(O)COc1c(cc(cc1CBr)Br)Br 34a_200009814416_100011219619 [0,2,0,0,0,0|2,0,0]=4 14676 B16R1.467 OCC(O)COc1c(cc(cc1CBr)Br)Br 7a_200009814416_100011219619 [0,2,0,0,0,0|2,0,0]=4 14677 B16R1.467 OC[C@H](O)COc1c(cc(cc1CBr)Br)Br 34a_200009814416_100009815848 [0,2,0,0,0,0|2,0,0]=4 14678 B16R1.467 OC[C@H](O)COc1c(cc(cc1CBr)Br)Br 7a_200009814416_100009815848 [0,2,0,0,0,0|2,0,0]=4 14679 B16R1.467 OCc1cc(cc(c1OCC(O)CO)Br)Cl 34a_100009812756_100011219619 [0,2,0,0,0,0|2,0,0]=4 14680 B16R1.467 OCc1cc(cc(c1OCC(O)CO)Br)Cl 7a_100009812756_100011219619 [0,2,0,0,0,0|2,0,0]=4 14681 B16R1.467 OCc1cc(cc(c1OC[C@@H](O)CO)Br)Cl 34a_100009812756_100009815848 [0,2,0,0,0,0|2,0,0]=4 14682 B16R1.467 OCc1cc(cc(c1OC[C@@H](O)CO)Br)Cl 7a_100009812756_100009815848 [0,2,0,0,0,0|2,0,0]=4 14683 B16R1.6454 C=CC(O)COc1c(ccc(c1OC)Br)F 34a_200010167157_100000730141 [0,2,0,0,0,0|1,0,1]=4 14684 B16R1.6454 C=CC(O)COc1c(ccc(c1OC)F)F 34a_100000118042_100000730141 [0,2,0,0,0,0|1,0,1]=4 14685 B16R1.6454 C=CC(O)COc1c(ccc(c1OC)F)F 7a_100000118042_100000730141 [0,2,0,0,0,0|1,0,1]=4 14686 B16R1.6454 CCC(C)COc1c(ccc(c1OC)Br)F 34a_200010167157_100000748023 [0,2,0,0,0,0|2,0,0]=4 14687 B16R1.6454 CCC(C)COc1c(ccc(c1OC)F)F 34a_100000118042_100000748023 [0,2,0,0,0,0|2,0,0]=4 14688 B16R1.6454 CCC(C)COc1c(ccc(c1OC)F)F 7a_100000118042_100000748023 [0,2,0,0,0,0|2,0,0]=4 14689 B16R1.6454 CCC(O)CNc1c(ccc(c1OC)F)F 34a_100009873038_100011218378 [0,2,0,0,0,0|2,0,0]=4 14690 B16R1.6454 CCC(O)COc1c(ccc(c1OC)Br)F 34a_200010167157_100011218378 [0,2,0,0,0,0|1,0,0]=3 14691 B16R1.6454 CCC(O)COc1c(ccc(c1OC)F)F 34a_100000118042_100011218378 [0,2,0,0,0,0|1,0,0]=3 14692 B16R1.6454 CCC(O)COc1c(ccc(c1OC)F)F 7a_100000118042_100011218378 [0,2,0,0,0,0|1,0,0]=3 14693 B16R1.6454 CCC(O)CSc1c(ccc(c1OC)Br)F 62a_100011218378_200034458476 [0,2,0,0,0,0|1,1,0]=4 14694 B16R1.6454 CCC(O)CSc1c(ccc(c1OC)Br)F 62a_200034458476_100011218378 [0,2,0,0,0,0|1,1,0]=4 14695 B16R1.6454 CCC(O)CSc1c(ccc(c1OC)F)F 62a_100010254772_100011218378 [0,2,0,0,0,0|1,1,0]=4 14696 B16R1.6454 CCC(O)CSc1c(ccc(c1OC)F)F 62a_100011218378_100010254772 [0,2,0,0,0,0|1,1,0]=4 14697 B16R1.6454 CCC(O)CSc1c(ccc(c1OC)N)F 62a_100011218378_102516457224 [0,2,0,0,0,0|1,1,0]=4 14698 B16R1.6454 CCC(O)CSc1c(ccc(c1OC)N)F 62a_102516457224_100011218378 [0,2,0,0,0,0|1,1,0]=4 14699 B16R1.6454 CC[C@H](C)COc1c(ccc(c1OC)Br)F 34a_200010167157_100009816398 [0,2,0,0,0,0|2,0,0]=4 14700 B16R1.6454 CC[C@H](C)COc1c(ccc(c1OC)F)F 34a_100000118042_100009816398 [0,2,0,0,0,0|2,0,0]=4 14701 B16R1.6454 CC[C@H](C)COc1c(ccc(c1OC)F)F 7a_100000118042_100009816398 [0,2,0,0,0,0|2,0,0]=4 14702 B16R1.6454 COc1c(ccc(c1NCC(O)CO)F)F 34a_100009873038_100011219619 [0,2,0,0,0,0|1,0,0]=3 14703 B16R1.6454 COc1c(ccc(c1NC[C@@H](C)CO)F)F 34a_100009873038_100000059175 [0,2,0,0,0,0|2,0,0]=4 14704 B16R1.6454 COc1c(ccc(c1NC[C@@H](O)CF)F)F 34a_100009873038_100015614560 [0,2,0,0,0,0|2,0,0]=4 14705 B16R1.6454 COc1c(ccc(c1NC[C@@H](O)CO)F)F 34a_100009873038_100009815848 [0,2,0,0,0,0|1,0,0]=3 14706 B16R1.6454 COc1c(ccc(c1OCC(O)CO)F)Br 34a_200010167157_100011219619 [0,2,0,0,0,0|0,0,0]=2 14707 B16R1.6454 COc1c(ccc(c1OCC(O)CO)F)F 34a_100000118042_100011219619 [0,2,0,0,0,0|0,0,0]=2 14708 B16R1.6454 COc1c(ccc(c1OCC(O)CO)F)F 7a_100000118042_100011219619 [0,2,0,0,0,0|0,0,0]=2 14709 B16R1.6454 COc1c(ccc(c1OC[C@@H](C)CO)F)Br 34a_200010167157_100000059175 [0,2,0,0,0,0|1,0,0]=3 14710 B16R1.6454 COc1c(ccc(c1OC[C@@H](C)CO)F)F 34a_100000118042_100000059175 [0,2,0,0,0,0|1,0,0]=3 14711 B16R1.6454 COc1c(ccc(c1OC[C@@H](C)CO)F)F 7a_100000118042_100000059175 [0,2,0,0,0,0|1,0,0]=3 14712 B16R1.6454 COc1c(ccc(c1OC[C@@H](O)CF)F)Br 34a_200010167157_100015614560 [0,2,0,0,0,0|1,0,0]=3 14713 B16R1.6454 COc1c(ccc(c1OC[C@@H](O)CF)F)F 34a_100000118042_100015614560 [0,2,0,0,0,0|1,0,0]=3 14714 B16R1.6454 COc1c(ccc(c1OC[C@@H](O)CF)F)F 7a_100000118042_100015614560 [0,2,0,0,0,0|1,0,0]=3 14715 B16R1.6454 COc1c(ccc(c1OC[C@@H](O)CO)F)Br 34a_200010167157_100009815848 [0,2,0,0,0,0|0,0,0]=2 14716 B16R1.6454 COc1c(ccc(c1OC[C@@H](O)CO)F)F 34a_100000118042_100009815848 [0,2,0,0,0,0|0,0,0]=2 14717 B16R1.6454 COc1c(ccc(c1OC[C@@H](O)CO)F)F 7a_100000118042_100009815848 [0,2,0,0,0,0|0,0,0]=2 14718 B16R1.6454 COc1c(ccc(c1SCC(O)CO)F)Br 62a_100011219619_200034458476 [0,2,0,0,0,0|0,1,0]=3 14719 B16R1.6454 COc1c(ccc(c1SCC(O)CO)F)Br 62a_200034458476_100011219619 [0,2,0,0,0,0|0,1,0]=3 14720 B16R1.6454 COc1c(ccc(c1SCC(O)CO)F)F 62a_100010254772_100011219619 [0,2,0,0,0,0|0,1,0]=3 14721 B16R1.6454 COc1c(ccc(c1SCC(O)CO)F)F 62a_100011219619_100010254772 [0,2,0,0,0,0|0,1,0]=3 14722 B16R1.6454 COc1c(ccc(c1SCC(O)CO)F)N 62a_100011219619_102516457224 [0,2,0,0,0,0|0,1,0]=3 14723 B16R1.6454 COc1c(ccc(c1SCC(O)CO)F)N 62a_102516457224_100011219619 [0,2,0,0,0,0|0,1,0]=3 14724 B16R1.6454 COc1c(ccc(c1SC[C@@H](C)CO)F)Br 62a_100000059175_200034458476 [0,2,0,0,0,0|1,1,0]=4 14725 B16R1.6454 COc1c(ccc(c1SC[C@@H](C)CO)F)Br 62a_200034458476_100000059175 [0,2,0,0,0,0|1,1,0]=4 14726 B16R1.6454 COc1c(ccc(c1SC[C@@H](C)CO)F)F 62a_100000059175_100010254772 [0,2,0,0,0,0|1,1,0]=4 14727 B16R1.6454 COc1c(ccc(c1SC[C@@H](C)CO)F)F 62a_100010254772_100000059175 [0,2,0,0,0,0|1,1,0]=4 14728 B16R1.6454 COc1c(ccc(c1SC[C@@H](C)CO)F)N 62a_100000059175_102516457224 [0,2,0,0,0,0|1,1,0]=4 14729 B16R1.6454 COc1c(ccc(c1SC[C@@H](C)CO)F)N 62a_102516457224_100000059175 [0,2,0,0,0,0|1,1,0]=4 14730 B16R1.6454 COc1c(ccc(c1SC[C@@H](O)CF)F)Br 62a_100015614560_200034458476 [0,2,0,0,0,0|1,1,0]=4 14731 B16R1.6454 COc1c(ccc(c1SC[C@@H](O)CF)F)Br 62a_200034458476_100015614560 [0,2,0,0,0,0|1,1,0]=4 14732 B16R1.6454 COc1c(ccc(c1SC[C@@H](O)CF)F)F 62a_100010254772_100015614560 [0,2,0,0,0,0|1,1,0]=4 14733 B16R1.6454 COc1c(ccc(c1SC[C@@H](O)CF)F)F 62a_100015614560_100010254772 [0,2,0,0,0,0|1,1,0]=4 14734 B16R1.6454 COc1c(ccc(c1SC[C@@H](O)CF)F)N 62a_100015614560_102516457224 [0,2,0,0,0,0|1,1,0]=4 14735 B16R1.6454 COc1c(ccc(c1SC[C@@H](O)CF)F)N 62a_102516457224_100015614560 [0,2,0,0,0,0|1,1,0]=4 14736 B16R1.6454 COc1c(ccc(c1SC[C@@H](O)CO)F)Br 62a_100009815848_200034458476 [0,2,0,0,0,0|0,1,0]=3 14737 B16R1.6454 COc1c(ccc(c1SC[C@@H](O)CO)F)Br 62a_200034458476_100009815848 [0,2,0,0,0,0|0,1,0]=3 14738 B16R1.6454 COc1c(ccc(c1SC[C@@H](O)CO)F)F 62a_100009815848_100010254772 [0,2,0,0,0,0|0,1,0]=3 14739 B16R1.6454 COc1c(ccc(c1SC[C@@H](O)CO)F)F 62a_100010254772_100009815848 [0,2,0,0,0,0|0,1,0]=3 14740 B16R1.6454 COc1c(ccc(c1SC[C@@H](O)CO)F)N 62a_100009815848_102516457224 [0,2,0,0,0,0|0,1,0]=3 14741 B16R1.6454 COc1c(ccc(c1SC[C@@H](O)CO)F)N 62a_102516457224_100009815848 [0,2,0,0,0,0|0,1,0]=3 14742 B16R1.19742 CCc1cccc(c1OCC(C)(C)CO)Br 34a_200010001580_100009813988 [0,2,0,0,0,0|2,0,0]=4 14743 B16R1.19742 CCc1cccc(c1OCC(C)(C)CO)Br 7a_200010001580_100009813988 [0,2,0,0,0,0|2,0,0]=4 14744 B16R1.19742 CCc1cccc(c1OCC(C)(C)CO)C 34a_100000034007_100009813988 [0,2,0,0,0,0|2,0,0]=4 14745 B16R1.19742 CCc1cccc(c1OCC(C)(C)CO)C 7a_100000034007_100009813988 [0,2,0,0,0,0|2,0,0]=4 14746 B16R1.19742 COc1cccc(c1NCC(C)(C)CO)Br 34a_100000708083_100009813988 [0,2,0,0,0,0|2,0,0]=4 14747 B16R1.19742 COc1cccc(c1NCC(C)(C)CO)C 34a_100000758225_100009813988 [0,2,0,0,0,0|2,0,0]=4 14748 B16R1.19742 COc1cccc(c1NCC(C)(C)CO)Cl 34a_100011309317_100009813988 [0,2,0,0,0,0|2,0,0]=4 14749 B16R1.19742 COc1cccc(c1NCC(C)(C)CO)F 34a_100000686744_100009813988 [0,2,0,0,0,0|2,0,0]=4 14750 B16R1.19742 COc1cccc(c1NCC(C)(C)CO)O 34a_100012022766_100009813988 [0,2,0,0,0,0|2,0,0]=4 14751 B16R1.19742 COc1cccc(c1OCC(C)(C)CO)Br 34a_100000686866_100009813988 [0,2,0,0,0,0|1,0,0]=3 14752 B16R1.19742 COc1cccc(c1OCC(C)(C)CO)C 34a_100011219253_100009813988 [0,2,0,0,0,0|1,0,0]=3 14753 B16R1.19742 COc1cccc(c1OCC(C)(C)CO)C 7a_100011219253_100009813988 [0,2,0,0,0,0|1,0,0]=3 14754 B16R1.19742 COc1cccc(c1OCC(C)(C)CO)Cl 34a_100009851661_100009813988 [0,2,0,0,0,0|1,0,0]=3 14755 B16R1.19742 COc1cccc(c1OCC(C)(C)CO)Cl 7a_100009851661_100009813988 [0,2,0,0,0,0|1,0,0]=3 14756 B16R1.19742 COc1cccc(c1OCC(C)(C)CO)F 34a_100000036725_100009813988 [0,2,0,0,0,0|1,0,0]=3 14757 B16R1.19742 COc1cccc(c1OCC(C)(C)CO)F 7a_100000036725_100009813988 [0,2,0,0,0,0|1,0,0]=3 14758 B16R1.19742 COc1cccc(c1OCC(C)(C)CO)N 34a_100000123586_100009813988 [0,2,0,0,0,0|1,0,0]=3 14759 B16R1.19742 COc1cccc(c1SCC(C)(C)CO)Br 62a_100009813988_100010131421 [0,2,0,0,0,0|1,1,0]=4 14760 B16R1.19742 COc1cccc(c1SCC(C)(C)CO)Br 62a_100010131421_100009813988 [0,2,0,0,0,0|1,1,0]=4 14761 B16R1.19742 COc1cccc(c1SCC(C)(C)CO)C 62a_100009813988_100010191535 [0,2,0,0,0,0|1,1,0]=4 14762 B16R1.19742 COc1cccc(c1SCC(C)(C)CO)C 62a_100010191535_100009813988 [0,2,0,0,0,0|1,1,0]=4 14763 B16R1.19742 COc1cccc(c1SCC(C)(C)CO)F 62a_100000703912_100009813988 [0,2,0,0,0,0|1,1,0]=4 14764 B16R1.19742 COc1cccc(c1SCC(C)(C)CO)F 62a_100009813988_100000703912 [0,2,0,0,0,0|1,1,0]=4 14765 B16R1.19742 COc1cccc(c1SCC(C)(C)CO)N 62a_100000703447_100009813988 [0,2,0,0,0,0|1,1,0]=4 14766 B16R1.19742 COc1cccc(c1SCC(C)(C)CO)N 62a_100009813988_100000703447 [0,2,0,0,0,0|1,1,0]=4 14767 B16R1.19742 COc1cccc(c1SCC(C)(C)CO)O 62a_100009813988_100010202623 [0,2,0,0,0,0|1,1,0]=4 14768 B16R1.19790 C=CC(O)COc1c(cccc1OC)C#N 34a_100011934230_100000730141 [0,2,0,0,0,0|1,0,1]=4 14769 B16R1.19790 C=CC(O)COc1c(cccc1OC)CO 34a_100011218668_100000730141 [0,2,0,0,0,0|1,0,1]=4 14770 B16R1.19790 C=CC(O)COc1c(cccc1OC)OC 34a_100000211025_100000730141 [0,2,0,0,0,0|1,0,1]=4 14771 B16R1.19790 CCC(C)COc1c(cccc1OC)C#N 34a_100011934230_100000748023 [0,2,0,0,0,0|2,0,0]=4 14772 B16R1.19790 CCC(C)COc1c(cccc1OC)CO 34a_100011218668_100000748023 [0,2,0,0,0,0|2,0,0]=4 14773 B16R1.19790 CCC(C)COc1c(cccc1OC)OC 34a_100000211025_100000748023 [0,2,0,0,0,0|2,0,0]=4 14774 B16R1.19790 CCC(O)CNc1c(cccc1OC)C#N 2230a_100000722693_100011218378 [0,2,0,0,0,0|2,0,0]=4 14775 B16R1.19790 CCC(O)CNc1c(cccc1OC)CO 34a_100011999522_100011218378 [0,2,0,0,0,0|2,0,0]=4 14776 B16R1.19790 CCC(O)CNc1c(cccc1OC)OC 2230a_100011218430_100011218378 [0,2,0,0,0,0|2,0,0]=4 14777 B16R1.19790 CCC(O)CNc1c(cccc1OC)OC 34a_100011218430_100011218378 [0,2,0,0,0,0|2,0,0]=4 14778 B16R1.19790 CCC(O)CNc1c(cccc1SC)OC 2230a_200012283368_100011218378 [0,2,0,0,0,0|2,0,0]=4 14779 B16R1.19790 CCC(O)CNc1c(cccc1SC)OC 34a_200012283368_100011218378 [0,2,0,0,0,0|2,0,0]=4 14780 B16R1.19790 CCC(O)COc1c(cccc1OC)C#N 34a_100011934230_100011218378 [0,2,0,0,0,0|1,0,0]=3 14781 B16R1.19790 CCC(O)COc1c(cccc1OC)CO 34a_100011218668_100011218378 [0,2,0,0,0,0|1,0,0]=3 14782 B16R1.19790 CCC(O)COc1c(cccc1OC)OC 34a_100000211025_100011218378 [0,2,0,0,0,0|1,0,0]=3 14783 B16R1.19790 CCC(O)CSc1c(cccc1OC)C=O 62a_100010209554_100011218378 [0,2,0,0,0,0|1,1,0]=4 14784 B16R1.19790 CCC(O)CSc1c(cccc1OC)C=O 62a_100011218378_100010209554 [0,2,0,0,0,0|1,1,0]=4 14785 B16R1.19790 CCC(O)CSc1c(cccc1OC)CO 62a_100010236476_100011218378 [0,2,0,0,0,0|1,1,0]=4 14786 B16R1.19790 CCC(O)CSc1c(cccc1OC)CO 62a_100011218378_100010236476 [0,2,0,0,0,0|1,1,0]=4 14787 B16R1.19790 CCC(O)CSc1c(cccc1OC)OC 62a_100000690108_100011218378 [0,2,0,0,0,0|1,1,0]=4 14788 B16R1.19790 CCC(O)CSc1c(cccc1OC)OC 62a_100011218378_100000690108 [0,2,0,0,0,0|1,1,0]=4 14789 B16R1.19790 CC[C@H](C)COc1c(cccc1OC)C#N 34a_100011934230_100009816398 [0,2,0,0,0,0|2,0,0]=4 14790 B16R1.19790 CC[C@H](C)COc1c(cccc1OC)CO 34a_100011218668_100009816398 [0,2,0,0,0,0|2,0,0]=4 14791 B16R1.19790 CC[C@H](C)COc1c(cccc1OC)OC 34a_100000211025_100009816398 [0,2,0,0,0,0|2,0,0]=4 14792 B16R1.19790 CCc1cccc(c1NCC(O)CO)CC 2230a_100000211307_100011219619 [0,2,0,0,0,0|2,0,0]=4 14793 B16R1.19790 CCc1cccc(c1NCC(O)CO)CC 34a_100000211307_100011219619 [0,2,0,0,0,0|2,0,0]=4 14794 B16R1.19790 CCc1cccc(c1NCC(O)CO)CC 7a_100000211307_100011219619 [0,2,0,0,0,0|2,0,0]=4 14795 B16R1.19790 CCc1cccc(c1NC[C@@H](O)CO)CC 2230a_100000211307_100009815848 [0,2,0,0,0,0|2,0,0]=4 14796 B16R1.19790 CCc1cccc(c1NC[C@@H](O)CO)CC 34a_100000211307_100009815848 [0,2,0,0,0,0|2,0,0]=4 14797 B16R1.19790 CCc1cccc(c1NC[C@@H](O)CO)CC 7a_100000211307_100009815848 [0,2,0,0,0,0|2,0,0]=4 14798 B16R1.19790 CCc1cccc(c1OCC(O)CC)CC 34a_100000078057_100011218378 [0,2,0,0,0,0|2,0,0]=4 14799 B16R1.19790 CCc1cccc(c1OCC(O)CC)CC 7a_100000078057_100011218378 [0,2,0,0,0,0|2,0,0]=4 14800 B16R1.19790 CCc1cccc(c1OCC(O)CO)CC 34a_100000078057_100011219619 [0,2,0,0,0,0|1,0,0]=3 14801 B16R1.19790 CCc1cccc(c1OCC(O)CO)CC 7a_100000078057_100011219619 [0,2,0,0,0,0|1,0,0]=3 14802 B16R1.19790 CCc1cccc(c1OC[C@@H](C)CO)CC 34a_100000078057_100000059175 [0,2,0,0,0,0|2,0,0]=4 14803 B16R1.19790 CCc1cccc(c1OC[C@@H](C)CO)CC 7a_100000078057_100000059175 [0,2,0,0,0,0|2,0,0]=4 14804 B16R1.19790 CCc1cccc(c1OC[C@@H](O)CF)CC 34a_100000078057_100015614560 [0,2,0,0,0,0|2,0,0]=4 14805 B16R1.19790 CCc1cccc(c1OC[C@@H](O)CF)CC 7a_100000078057_100015614560 [0,2,0,0,0,0|2,0,0]=4 14806 B16R1.19790 CCc1cccc(c1OC[C@@H](O)CO)CC 34a_100000078057_100009815848 [0,2,0,0,0,0|1,0,0]=3 14807 B16R1.19790 CCc1cccc(c1OC[C@@H](O)CO)CC 7a_100000078057_100009815848 [0,2,0,0,0,0|1,0,0]=3 14808 B16R1.19790 CCc1cccc(c1SCC(O)CO)CC 62a_100010212195_100011219619 [0,2,0,0,0,0|1,1,0]=4 14809 B16R1.19790 CCc1cccc(c1SCC(O)CO)CC 62a_100011219619_100010212195 [0,2,0,0,0,0|1,1,0]=4 14810 B16R1.19790 CCc1cccc(c1SC[C@@H](O)CO)CC 62a_100009815848_100010212195 [0,2,0,0,0,0|1,1,0]=4 14811 B16R1.19790 CCc1cccc(c1SC[C@@H](O)CO)CC 62a_100010212195_100009815848 [0,2,0,0,0,0|1,1,0]=4 14812 B16R1.19790 COc1cccc(c1NCC(O)CO)C#N 2230a_100000722693_100011219619 [0,2,0,0,0,0|1,0,0]=3 14813 B16R1.19790 COc1cccc(c1NCC(O)CO)CO 34a_100011999522_100011219619 [0,2,0,0,0,0|1,0,0]=3 14814 B16R1.19790 COc1cccc(c1NCC(O)CO)OC 2230a_100011218430_100011219619 [0,2,0,0,0,0|1,0,0]=3 14815 B16R1.19790 COc1cccc(c1NCC(O)CO)OC 34a_100011218430_100011219619 [0,2,0,0,0,0|1,0,0]=3 14816 B16R1.19790 COc1cccc(c1NCC(O)CO)SC 2230a_200012283368_100011219619 [0,2,0,0,0,0|1,0,0]=3 14817 B16R1.19790 COc1cccc(c1NCC(O)CO)SC 34a_200012283368_100011219619 [0,2,0,0,0,0|1,0,0]=3 14818 B16R1.19790 COc1cccc(c1NC[C@@H](C)CO)C#N 2230a_100000722693_100000059175 [0,2,0,0,0,0|2,0,0]=4 14819 B16R1.19790 COc1cccc(c1NC[C@@H](C)CO)CO 34a_100011999522_100000059175 [0,2,0,0,0,0|2,0,0]=4 14820 B16R1.19790 COc1cccc(c1NC[C@@H](C)CO)OC 2230a_100011218430_100000059175 [0,2,0,0,0,0|2,0,0]=4 14821 B16R1.19790 COc1cccc(c1NC[C@@H](C)CO)OC 34a_100011218430_100000059175 [0,2,0,0,0,0|2,0,0]=4 14822 B16R1.19790 COc1cccc(c1NC[C@@H](C)CO)SC 2230a_200012283368_100000059175 [0,2,0,0,0,0|2,0,0]=4 14823 B16R1.19790 COc1cccc(c1NC[C@@H](C)CO)SC 34a_200012283368_100000059175 [0,2,0,0,0,0|2,0,0]=4 14824 B16R1.19790 COc1cccc(c1NC[C@@H](O)CF)C#N 2230a_100000722693_100015614560 [0,2,0,0,0,0|2,0,0]=4 14825 B16R1.19790 COc1cccc(c1NC[C@@H](O)CF)CO 34a_100011999522_100015614560 [0,2,0,0,0,0|2,0,0]=4 14826 B16R1.19790 COc1cccc(c1NC[C@@H](O)CF)OC 2230a_100011218430_100015614560 [0,2,0,0,0,0|2,0,0]=4 14827 B16R1.19790 COc1cccc(c1NC[C@@H](O)CF)OC 34a_100011218430_100015614560 [0,2,0,0,0,0|2,0,0]=4 14828 B16R1.19790 COc1cccc(c1NC[C@@H](O)CF)SC 2230a_200012283368_100015614560 [0,2,0,0,0,0|2,0,0]=4 14829 B16R1.19790 COc1cccc(c1NC[C@@H](O)CF)SC 34a_200012283368_100015614560 [0,2,0,0,0,0|2,0,0]=4 14830 B16R1.19790 COc1cccc(c1NC[C@@H](O)CO)C#N 2230a_100000722693_100009815848 [0,2,0,0,0,0|1,0,0]=3 14831 B16R1.19790 COc1cccc(c1NC[C@@H](O)CO)CO 34a_100011999522_100009815848 [0,2,0,0,0,0|1,0,0]=3 14832 B16R1.19790 COc1cccc(c1NC[C@@H](O)CO)OC 2230a_100011218430_100009815848 [0,2,0,0,0,0|1,0,0]=3 14833 B16R1.19790 COc1cccc(c1NC[C@@H](O)CO)OC 34a_100011218430_100009815848 [0,2,0,0,0,0|1,0,0]=3 14834 B16R1.19790 COc1cccc(c1NC[C@@H](O)CO)SC 2230a_200012283368_100009815848 [0,2,0,0,0,0|1,0,0]=3 14835 B16R1.19790 COc1cccc(c1NC[C@@H](O)CO)SC 34a_200012283368_100009815848 [0,2,0,0,0,0|1,0,0]=3 14836 B16R1.19790 COc1cccc(c1OCC(O)CO)C#N 34a_100011934230_100011219619 [0,2,0,0,0,0|0,0,0]=2 14837 B16R1.19790 COc1cccc(c1OCC(O)CO)CO 34a_100011218668_100011219619 [0,2,0,0,0,0|0,0,0]=2 14838 B16R1.19790 COc1cccc(c1OCC(O)CO)OC 34a_100000211025_100011219619 [0,2,0,0,0,0|0,0,0]=2 14839 B16R1.19790 COc1cccc(c1OC[C@@H](C)CO)C#N 34a_100011934230_100000059175 [0,2,0,0,0,0|1,0,0]=3 14840 B16R1.19790 COc1cccc(c1OC[C@@H](C)CO)CO 34a_100011218668_100000059175 [0,2,0,0,0,0|1,0,0]=3 14841 B16R1.19790 COc1cccc(c1OC[C@@H](C)CO)OC 34a_100000211025_100000059175 [0,2,0,0,0,0|1,0,0]=3 14842 B16R1.19790 COc1cccc(c1OC[C@@H](O)CF)C#N 34a_100011934230_100015614560 [0,2,0,0,0,0|1,0,0]=3 14843 B16R1.19790 COc1cccc(c1OC[C@@H](O)CF)CO 34a_100011218668_100015614560 [0,2,0,0,0,0|1,0,0]=3 14844 B16R1.19790 COc1cccc(c1OC[C@@H](O)CF)OC 34a_100000211025_100015614560 [0,2,0,0,0,0|1,0,0]=3 14845 B16R1.19790 COc1cccc(c1OC[C@@H](O)CO)C#N 34a_100011934230_100009815848 [0,2,0,0,0,0|0,0,0]=2 14846 B16R1.19790 COc1cccc(c1OC[C@@H](O)CO)CO 34a_100011218668_100009815848 [0,2,0,0,0,0|0,0,0]=2 14847 B16R1.19790 COc1cccc(c1OC[C@@H](O)CO)OC 34a_100000211025_100009815848 [0,2,0,0,0,0|0,0,0]=2 14848 B16R1.19790 COc1cccc(c1SCC(O)CO)C=O 62a_100010209554_100011219619 [0,2,0,0,0,0|0,1,0]=3 14849 B16R1.19790 COc1cccc(c1SCC(O)CO)C=O 62a_100011219619_100010209554 [0,2,0,0,0,0|0,1,0]=3 14850 B16R1.19790 COc1cccc(c1SCC(O)CO)CO 62a_100010236476_100011219619 [0,2,0,0,0,0|0,1,0]=3 14851 B16R1.19790 COc1cccc(c1SCC(O)CO)CO 62a_100011219619_100010236476 [0,2,0,0,0,0|0,1,0]=3 14852 B16R1.19790 COc1cccc(c1SCC(O)CO)OC 62a_100000690108_100011219619 [0,2,0,0,0,0|0,1,0]=3 14853 B16R1.19790 COc1cccc(c1SCC(O)CO)OC 62a_100011219619_100000690108 [0,2,0,0,0,0|0,1,0]=3 14854 B16R1.19790 COc1cccc(c1SC[C@@H](C)CO)C=O 62a_100000059175_100010209554 [0,2,0,0,0,0|1,1,0]=4 14855 B16R1.19790 COc1cccc(c1SC[C@@H](C)CO)C=O 62a_100010209554_100000059175 [0,2,0,0,0,0|1,1,0]=4 14856 B16R1.19790 COc1cccc(c1SC[C@@H](C)CO)CO 62a_100000059175_100010236476 [0,2,0,0,0,0|1,1,0]=4 14857 B16R1.19790 COc1cccc(c1SC[C@@H](C)CO)CO 62a_100010236476_100000059175 [0,2,0,0,0,0|1,1,0]=4 14858 B16R1.19790 COc1cccc(c1SC[C@@H](C)CO)OC 62a_100000059175_100000690108 [0,2,0,0,0,0|1,1,0]=4 14859 B16R1.19790 COc1cccc(c1SC[C@@H](C)CO)OC 62a_100000690108_100000059175 [0,2,0,0,0,0|1,1,0]=4 14860 B16R1.19790 COc1cccc(c1SC[C@@H](O)CF)C=O 62a_100010209554_100015614560 [0,2,0,0,0,0|1,1,0]=4 14861 B16R1.19790 COc1cccc(c1SC[C@@H](O)CF)C=O 62a_100015614560_100010209554 [0,2,0,0,0,0|1,1,0]=4 14862 B16R1.19790 COc1cccc(c1SC[C@@H](O)CF)CO 62a_100010236476_100015614560 [0,2,0,0,0,0|1,1,0]=4 14863 B16R1.19790 COc1cccc(c1SC[C@@H](O)CF)CO 62a_100015614560_100010236476 [0,2,0,0,0,0|1,1,0]=4 14864 B16R1.19790 COc1cccc(c1SC[C@@H](O)CF)OC 62a_100000690108_100015614560 [0,2,0,0,0,0|1,1,0]=4 14865 B16R1.19790 COc1cccc(c1SC[C@@H](O)CF)OC 62a_100015614560_100000690108 [0,2,0,0,0,0|1,1,0]=4 14866 B16R1.19790 COc1cccc(c1SC[C@@H](O)CO)C=O 62a_100009815848_100010209554 [0,2,0,0,0,0|0,1,0]=3 14867 B16R1.19790 COc1cccc(c1SC[C@@H](O)CO)C=O 62a_100010209554_100009815848 [0,2,0,0,0,0|0,1,0]=3 14868 B16R1.19790 COc1cccc(c1SC[C@@H](O)CO)CO 62a_100009815848_100010236476 [0,2,0,0,0,0|0,1,0]=3 14869 B16R1.19790 COc1cccc(c1SC[C@@H](O)CO)CO 62a_100010236476_100009815848 [0,2,0,0,0,0|0,1,0]=3 14870 B16R1.19790 COc1cccc(c1SC[C@@H](O)CO)OC 62a_100000690108_100009815848 [0,2,0,0,0,0|0,1,0]=3 14871 B16R1.19790 COc1cccc(c1SC[C@@H](O)CO)OC 62a_100009815848_100000690108 [0,2,0,0,0,0|0,1,0]=3 14872 B16R1.19790 COc1ccnc(c1SCC(O)CO)OC 62a_100010114374_100011219619 [0,2,0,0,0,0|1,1,0]=4 14873 B16R1.19790 COc1ccnc(c1SCC(O)CO)OC 62a_100011219619_100010114374 [0,2,0,0,0,0|1,1,0]=4 14874 B16R1.19790 COc1ccnc(c1SC[C@@H](O)CO)OC 62a_100009815848_100010114374 [0,2,0,0,0,0|1,1,0]=4 14875 B16R1.19790 COc1ccnc(c1SC[C@@H](O)CO)OC 62a_100010114374_100009815848 [0,2,0,0,0,0|1,1,0]=4 14876 B16R1.19790 COc1cncc(c1SCC(O)CO)OC 62a_100011219619_200010191558 [0,2,0,0,0,0|1,1,0]=4 14877 B16R1.19790 COc1cncc(c1SCC(O)CO)OC 62a_200010191558_100011219619 [0,2,0,0,0,0|1,1,0]=4 14878 B16R1.19790 COc1cncc(c1SC[C@@H](O)CO)OC 62a_100009815848_200010191558 [0,2,0,0,0,0|1,1,0]=4 14879 B16R1.19790 COc1cncc(c1SC[C@@H](O)CO)OC 62a_200010191558_100009815848 [0,2,0,0,0,0|1,1,0]=4 14880 B16R1.19790 COc1nccc(c1SCC(O)CO)C#N 62a_100011219619_200000050020 [0,2,0,0,0,0|1,1,0]=4 14881 B16R1.19790 COc1nccc(c1SC[C@@H](O)CO)C#N 62a_100009815848_200000050020 [0,2,0,0,0,0|1,1,0]=4 14882 B16R1.20192 C=CC(O)COc1c(ccc(c1F)F)OC 34a_100000062125_100000730141 [0,2,0,0,0,0|1,0,1]=4 14883 B16R1.20192 C=CC(O)COc1c(ccc(c1F)F)OC 7a_100000062125_100000730141 [0,2,0,0,0,0|1,0,1]=4 14884 B16R1.20192 CCC(C)COc1c(ccc(c1F)F)OC 34a_100000062125_100000748023 [0,2,0,0,0,0|2,0,0]=4 14885 B16R1.20192 CCC(C)COc1c(ccc(c1F)F)OC 7a_100000062125_100000748023 [0,2,0,0,0,0|2,0,0]=4 14886 B16R1.20192 CCC(O)CNc1c(ccc(c1F)F)OC 34a_100000061648_100011218378 [0,2,0,0,0,0|2,0,0]=4 14887 B16R1.20192 CCC(O)COc1c(ccc(c1F)F)OC 34a_100000062125_100011218378 [0,2,0,0,0,0|1,0,0]=3 14888 B16R1.20192 CCC(O)COc1c(ccc(c1F)F)OC 7a_100000062125_100011218378 [0,2,0,0,0,0|1,0,0]=3 14889 B16R1.20192 CCC(O)CSc1c(ccc(c1F)F)OC 62a_100010204329_100011218378 [0,2,0,0,0,0|1,1,0]=4 14890 B16R1.20192 CCC(O)CSc1c(ccc(c1F)F)OC 62a_100011218378_100010204329 [0,2,0,0,0,0|1,1,0]=4 14891 B16R1.20192 CC[C@H](C)COc1c(ccc(c1F)F)OC 34a_100000062125_100009816398 [0,2,0,0,0,0|2,0,0]=4 14892 B16R1.20192 CC[C@H](C)COc1c(ccc(c1F)F)OC 7a_100000062125_100009816398 [0,2,0,0,0,0|2,0,0]=4 14893 B16R1.20192 COc1ccc(c(c1NCC(O)CO)F)F 34a_100000061648_100011219619 [0,2,0,0,0,0|1,0,0]=3 14894 B16R1.20192 COc1ccc(c(c1NC[C@@H](C)CO)F)F 34a_100000061648_100000059175 [0,2,0,0,0,0|2,0,0]=4 14895 B16R1.20192 COc1ccc(c(c1NC[C@@H](O)CF)F)F 34a_100000061648_100015614560 [0,2,0,0,0,0|2,0,0]=4 14896 B16R1.20192 COc1ccc(c(c1NC[C@@H](O)CO)F)F 34a_100000061648_100009815848 [0,2,0,0,0,0|1,0,0]=3 14897 B16R1.20192 COc1ccc(c(c1OCC(O)CO)F)F 34a_100000062125_100011219619 [0,2,0,0,0,0|0,0,0]=2 14898 B16R1.20192 COc1ccc(c(c1OCC(O)CO)F)F 7a_100000062125_100011219619 [0,2,0,0,0,0|0,0,0]=2 14899 B16R1.20192 COc1ccc(c(c1OC[C@@H](C)CO)F)F 34a_100000062125_100000059175 [0,2,0,0,0,0|1,0,0]=3 14900 B16R1.20192 COc1ccc(c(c1OC[C@@H](C)CO)F)F 7a_100000062125_100000059175 [0,2,0,0,0,0|1,0,0]=3 14901 B16R1.20192 COc1ccc(c(c1OC[C@@H](O)CF)F)F 34a_100000062125_100015614560 [0,2,0,0,0,0|1,0,0]=3 14902 B16R1.20192 COc1ccc(c(c1OC[C@@H](O)CF)F)F 7a_100000062125_100015614560 [0,2,0,0,0,0|1,0,0]=3 14903 B16R1.20192 COc1ccc(c(c1OC[C@@H](O)CO)F)F 34a_100000062125_100009815848 [0,2,0,0,0,0|0,0,0]=2 14904 B16R1.20192 COc1ccc(c(c1OC[C@@H](O)CO)F)F 7a_100000062125_100009815848 [0,2,0,0,0,0|0,0,0]=2 14905 B16R1.20192 COc1ccc(c(c1SCC(O)CO)F)F 62a_100010204329_100011219619 [0,2,0,0,0,0|0,1,0]=3 14906 B16R1.20192 COc1ccc(c(c1SCC(O)CO)F)F 62a_100011219619_100010204329 [0,2,0,0,0,0|0,1,0]=3 14907 B16R1.20192 COc1ccc(c(c1SC[C@@H](C)CO)F)F 62a_100000059175_100010204329 [0,2,0,0,0,0|1,1,0]=4 14908 B16R1.20192 COc1ccc(c(c1SC[C@@H](C)CO)F)F 62a_100010204329_100000059175 [0,2,0,0,0,0|1,1,0]=4 14909 B16R1.20192 COc1ccc(c(c1SC[C@@H](O)CF)F)F 62a_100010204329_100015614560 [0,2,0,0,0,0|1,1,0]=4 14910 B16R1.20192 COc1ccc(c(c1SC[C@@H](O)CF)F)F 62a_100015614560_100010204329 [0,2,0,0,0,0|1,1,0]=4 14911 B16R1.20192 COc1ccc(c(c1SC[C@@H](O)CO)F)F 62a_100009815848_100010204329 [0,2,0,0,0,0|0,1,0]=3 14912 B16R1.20192 COc1ccc(c(c1SC[C@@H](O)CO)F)F 62a_100010204329_100009815848 [0,2,0,0,0,0|0,1,0]=3 14913 B16R1.20192 N#Cc1ccc(c(c1OCC(O)CO)Br)F 34a_100010128267_100011219619 [0,2,0,0,0,0|2,0,0]=4 14914 B16R1.20192 N#Cc1ccc(c(c1OCC(O)CO)Br)F 7a_100010128267_100011219619 [0,2,0,0,0,0|2,0,0]=4 14915 B16R1.20192 N#Cc1ccc(c(c1OCC(O)CO)Cl)Cl 34a_200010827036_100011219619 [0,2,0,0,0,0|2,0,0]=4 14916 B16R1.20192 N#Cc1ccc(c(c1OCC(O)CO)Cl)Cl 7a_200010827036_100011219619 [0,2,0,0,0,0|2,0,0]=4 14917 B16R1.20192 N#Cc1ccc(c(c1OCC(O)CO)F)F 34a_200000080570_100011219619 [0,2,0,0,0,0|2,0,0]=4 14918 B16R1.20192 N#Cc1ccc(c(c1OCC(O)CO)F)F 7a_200000080570_100011219619 [0,2,0,0,0,0|2,0,0]=4 14919 B16R1.20192 N#Cc1ccc(c(c1OC[C@@H](O)CO)Br)F 34a_100010128267_100009815848 [0,2,0,0,0,0|2,0,0]=4 14920 B16R1.20192 N#Cc1ccc(c(c1OC[C@@H](O)CO)Br)F 7a_100010128267_100009815848 [0,2,0,0,0,0|2,0,0]=4 14921 B16R1.20192 N#Cc1ccc(c(c1OC[C@@H](O)CO)Cl)Cl 34a_200010827036_100009815848 [0,2,0,0,0,0|2,0,0]=4 14922 B16R1.20192 N#Cc1ccc(c(c1OC[C@@H](O)CO)Cl)Cl 7a_200010827036_100009815848 [0,2,0,0,0,0|2,0,0]=4 14923 B16R1.20192 N#Cc1ccc(c(c1OC[C@@H](O)CO)F)F 34a_200000080570_100009815848 [0,2,0,0,0,0|2,0,0]=4 14924 B16R1.20192 N#Cc1ccc(c(c1OC[C@@H](O)CO)F)F 7a_200000080570_100009815848 [0,2,0,0,0,0|2,0,0]=4 14925 B16R1.86827 CCC(O)CC(=O)c1c(cccc1OC)Br 1458a_100011593405_100011218378 [0,2,0,0,0,0|2,0,0]=4 14926 B16R1.86827 CCC(O)CC(=O)c1c(cccc1OC)C 1458a_100000066212_100011218378 [0,2,0,0,0,0|2,0,0]=4 14927 B16R1.86827 CCC(O)CC(=O)c1c(cccc1OC)Cl 1458a_100000743539_100011218378 [0,2,0,0,0,0|2,0,0]=4 14928 B16R1.86827 CCC(O)CC(=O)c1c(cccc1OC)F 1458a_100000759380_100011218378 [0,2,0,0,0,0|2,0,0]=4 14929 B16R1.86827 CCC(O)CC(=O)c1c(cccc1OC)I 1458a_100010179659_100011218378 [0,2,0,0,0,0|2,0,0]=4 14930 B16R1.86827 CCC(O)CC(=O)c1c(cccc1OC)O 1458a_100000043310_100011218378 [0,2,0,0,0,0|2,0,0]=4 14931 B16R1.86827 COc1cccc(c1C(=O)C[C@@H](C)CO)Br 1458a_100011593405_100000059175 [0,2,0,0,0,0|2,0,0]=4 14932 B16R1.86827 COc1cccc(c1C(=O)C[C@@H](C)CO)C 1458a_100000066212_100000059175 [0,2,0,0,0,0|2,0,0]=4 14933 B16R1.86827 COc1cccc(c1C(=O)C[C@@H](C)CO)Cl 1458a_100000743539_100000059175 [0,2,0,0,0,0|2,0,0]=4 14934 B16R1.86827 COc1cccc(c1C(=O)C[C@@H](C)CO)F 1458a_100000759380_100000059175 [0,2,0,0,0,0|2,0,0]=4 14935 B16R1.86827 COc1cccc(c1C(=O)C[C@@H](C)CO)I 1458a_100010179659_100000059175 [0,2,0,0,0,0|2,0,0]=4 14936 B16R1.86827 COc1cccc(c1C(=O)C[C@@H](C)CO)O 1458a_100000043310_100000059175 [0,2,0,0,0,0|2,0,0]=4 14937 B16R1.4300 COc1ccc(cc1NCC(C)(C)CO)Br 34a_100000743470_100009813988 [0,2,0,0,0,0|2,0,0]=4 14938 B16R1.4300 COc1ccc(cc1NCC(C)(C)CO)C 34a_100000210980_100009813988 [0,2,0,0,0,0|2,0,0]=4 14939 B16R1.4300 COc1ccc(cc1NCC(C)(C)CO)Cl 34a_100000182114_100009813988 [0,2,0,0,0,0|2,0,0]=4 14940 B16R1.4300 COc1ccc(cc1NCC(C)(C)CO)F 34a_100000757179_100009813988 [0,2,0,0,0,0|2,0,0]=4 14941 B16R1.4300 COc1ccc(cc1OCC(C)(C)CO)Br 34a_100009816560_100009813988 [0,2,0,0,0,0|1,0,0]=3 14942 B16R1.4300 COc1ccc(cc1OCC(C)(C)CO)Br 7a_100009816560_100009813988 [0,2,0,0,0,0|1,0,0]=3 14943 B16R1.4300 COc1ccc(cc1OCC(C)(C)CO)C 34a_100011216497_100009813988 [0,2,0,0,0,0|1,0,0]=3 14944 B16R1.4300 COc1ccc(cc1OCC(C)(C)CO)C 7a_100011216497_100009813988 [0,2,0,0,0,0|1,0,0]=3 14945 B16R1.4300 COc1ccc(cc1OCC(C)(C)CO)Cl 34a_100000101779_100009813988 [0,2,0,0,0,0|1,0,0]=3 14946 B16R1.4300 COc1ccc(cc1OCC(C)(C)CO)Cl 7a_100000101779_100009813988 [0,2,0,0,0,0|1,0,0]=3 14947 B16R1.4300 COc1ccc(cc1OCC(C)(C)CO)F 34a_100000034962_100009813988 [0,2,0,0,0,0|1,0,0]=3 14948 B16R1.4300 COc1ccc(cc1OCC(C)(C)CO)F 7a_100000034962_100009813988 [0,2,0,0,0,0|1,0,0]=3 14949 B16R1.4300 COc1ccc(cc1OCC(C)(C)CO)N 34a_100000211920_100009813988 [0,2,0,0,0,0|1,0,0]=3 14950 B16R1.4300 COc1ccc(cc1SCC(C)(C)CO)Br 62a_100009813988_100012351588 [0,2,0,0,0,0|1,1,0]=4 14951 B16R1.4300 COc1ccc(cc1SCC(C)(C)CO)Br 62a_100012351588_100009813988 [0,2,0,0,0,0|1,1,0]=4 14952 B16R1.4300 COc1ccc(cc1SCC(C)(C)CO)C 62a_100000186399_100009813988 [0,2,0,0,0,0|1,1,0]=4 14953 B16R1.4300 COc1ccc(cc1SCC(C)(C)CO)C 62a_100009813988_100000186399 [0,2,0,0,0,0|1,1,0]=4 14954 B16R1.4300 COc1ccc(cc1SCC(C)(C)CO)Cl 62a_100009813988_100011215930 [0,2,0,0,0,0|1,1,0]=4 14955 B16R1.4300 COc1ccc(cc1SCC(C)(C)CO)Cl 62a_100011215930_100009813988 [0,2,0,0,0,0|1,1,0]=4 14956 B16R1.4300 COc1ccc(cc1SCC(C)(C)CO)F 62a_100000171694_100009813988 [0,2,0,0,0,0|1,1,0]=4 14957 B16R1.4300 COc1ccc(cc1SCC(C)(C)CO)F 62a_100009813988_100000171694 [0,2,0,0,0,0|1,1,0]=4 14958 B16R1.4300 COc1ccc(cc1SCC(C)(C)CO)N 62a_100009813988_100011356947 [0,2,0,0,0,0|1,1,0]=4 14959 B16R1.4300 COc1ccc(cc1SCC(C)(C)CO)N 62a_100011356947_100009813988 [0,2,0,0,0,0|1,1,0]=4 14960 B16R1.4300 COc1ccc(cc1SCC(C)(C)CO)O 62a_100009813988_100010234764 [0,2,0,0,0,0|1,1,0]=4 14961 B16R1.4300 COc1ccc(cc1SCC(C)(C)CO)O 62a_100010234764_100009813988 [0,2,0,0,0,0|1,1,0]=4 14962 B16R1.4300 COc1cnc(cc1OCC(C)(C)CO)Br 34a_100010264082_100009813988 [0,2,0,0,0,0|2,0,0]=4 14963 B16R1.4300 COc1cnc(cc1OCC(C)(C)CO)Cl 34a_100009849459_100009813988 [0,2,0,0,0,0|2,0,0]=4 14964 B16R1.4300 COc1ncc(cc1OCC(C)(C)CO)Br 34a_100010135713_100009813988 [0,2,0,0,0,0|2,0,0]=4 14965 B16R1.6234 COc1c(cccc1NCC(C)(C)CO)Br 34a_100011935253_100009813988 [0,2,0,0,0,0|2,0,0]=4 14966 B16R1.6234 COc1c(cccc1NCC(C)(C)CO)C 34a_100012017360_100009813988 [0,2,0,0,0,0|2,0,0]=4 14967 B16R1.6234 COc1c(cccc1NCC(C)(C)CO)Cl 34a_100000743799_100009813988 [0,2,0,0,0,0|2,0,0]=4 14968 B16R1.6234 COc1c(cccc1NCC(C)(C)CO)F 34a_100011215007_100009813988 [0,2,0,0,0,0|2,0,0]=4 14969 B16R1.6234 COc1c(cccc1OCC(C)(C)CO)Br 34a_100010234590_100009813988 [0,2,0,0,0,0|1,0,0]=3 14970 B16R1.6234 COc1c(cccc1OCC(C)(C)CO)Cl 34a_200009886253_100009813988 [0,2,0,0,0,0|1,0,0]=3 14971 B16R1.6234 COc1c(cccc1OCC(C)(C)CO)Cl 7a_200009886253_100009813988 [0,2,0,0,0,0|1,0,0]=3 14972 B16R1.6234 COc1c(cccc1SCC(C)(C)CO)Br 62a_100009813988_100010146560 [0,2,0,0,0,0|1,1,0]=4 14973 B16R1.6234 COc1c(cccc1SCC(C)(C)CO)Br 62a_100010146560_100009813988 [0,2,0,0,0,0|1,1,0]=4 14974 B16R1.6234 COc1c(cccc1SCC(C)(C)CO)C 62a_100009813988_100010141385 [0,2,0,0,0,0|1,1,0]=4 14975 B16R1.6234 COc1c(cccc1SCC(C)(C)CO)C 62a_100010141385_100009813988 [0,2,0,0,0,0|1,1,0]=4 14976 B16R1.6234 COc1c(cccc1SCC(C)(C)CO)Cl 62a_100009813988_100010147678 [0,2,0,0,0,0|1,1,0]=4 14977 B16R1.6234 COc1c(cccc1SCC(C)(C)CO)Cl 62a_100010147678_100009813988 [0,2,0,0,0,0|1,1,0]=4 14978 B16R1.6234 COc1c(cccc1SCC(C)(C)CO)F 62a_100009813988_100009816759 [0,2,0,0,0,0|1,1,0]=4 14979 B16R1.6234 COc1c(cccc1SCC(C)(C)CO)F 62a_100009816759_100009813988 [0,2,0,0,0,0|1,1,0]=4 14980 B16R1.6234 COc1c(cccc1SCC(C)(C)CO)N 62a_100011935253_100009813988 [0,2,0,0,0,0|1,1,0]=4 14981 B16R1.6234 COc1c(cccc1SCC(C)(C)CO)O 62a_100009813988_100010234590 [0,2,0,0,0,0|1,1,0]=4 14982 B16R1.6234 COc1c(ccnc1Cl)OCC(C)(C)CO 34a_100000104430_100009813988 [0,2,0,0,0,0|2,0,0]=4 14983 B16R1.6234 CSc1c(cccc1OCC(C)(C)CO)C 34a_200000099257_100009813988 [0,2,0,0,0,0|1,1,0]=4 14984 B16R1.6234 CSc1c(cccc1OCC(C)(C)CO)C 7a_200000099257_100009813988 [0,2,0,0,0,0|1,1,0]=4 14985 B16R1.31012 COc1ccccc1N(C)CC(C)(C)CO 34a_100000219746_100009813988 [0,2,0,0,0,0|2,0,0]=4 14986 B16R1.85802 CCc1cc(ccc1OCC(C)(C)CO)Br 34a_100012338938_100009813988 [0,2,0,0,0,0|2,0,0]=4 14987 B16R1.85802 CCc1cc(ccc1OCC(C)(C)CO)Br 7a_100012338938_100009813988 [0,2,0,0,0,0|2,0,0]=4 14988 B16R1.85802 CCc1cc(ccc1OCC(C)(C)CO)C 34a_100009844793_100009813988 [0,2,0,0,0,0|2,0,0]=4 14989 B16R1.85802 CCc1cc(ccc1OCC(C)(C)CO)C 7a_100009844793_100009813988 [0,2,0,0,0,0|2,0,0]=4 14990 B16R1.85802 CCc1cc(ccc1OCC(C)(C)CO)F 34a_200000035566_100009813988 [0,2,0,0,0,0|2,0,0]=4 14991 B16R1.85802 CCc1cc(ccc1OCC(C)(C)CO)F 7a_200000035566_100009813988 [0,2,0,0,0,0|2,0,0]=4 14992 B16R1.85802 COc1cc(ccc1NCC(C)(C)CO)Br 34a_100011279103_100009813988 [0,2,0,0,0,0|2,0,0]=4 14993 B16R1.85802 COc1cc(ccc1NCC(C)(C)CO)C 34a_100000746441_100009813988 [0,2,0,0,0,0|2,0,0]=4 14994 B16R1.85802 COc1cc(ccc1NCC(C)(C)CO)Cl 34a_100000707585_100009813988 [0,2,0,0,0,0|2,0,0]=4 14995 B16R1.85802 COc1cc(ccc1NCC(C)(C)CO)F 34a_100000737216_100009813988 [0,2,0,0,0,0|2,0,0]=4 14996 B16R1.85802 COc1cc(ccc1NCC(C)(C)CO)I 34a_100015196925_100009813988 [0,2,0,0,0,0|2,0,0]=4 14997 B16R1.85802 COc1cc(ccc1NCC(C)(C)CO)O 34a_100015326901_100009813988 [0,2,0,0,0,0|2,0,0]=4 14998 B16R1.85802 COc1cc(ccc1OCC(C)(C)CO)Br 34a_100000694246_100009813988 [0,2,0,0,0,0|1,0,0]=3 14999 B16R1.85802 COc1cc(ccc1OCC(C)(C)CO)Br 7a_100000694246_100009813988 [0,2,0,0,0,0|1,0,0]=3 15000 B16R1.85802 COc1cc(ccc1OCC(C)(C)CO)C 34a_100000186466_100009813988 [0,2,0,0,0,0|1,0,0]=3 15001 B16R1.85802 COc1cc(ccc1OCC(C)(C)CO)Cl 34a_100000033002_100009813988 [0,2,0,0,0,0|1,0,0]=3 15002 B16R1.85802 COc1cc(ccc1OCC(C)(C)CO)F 34a_100000036057_100009813988 [0,2,0,0,0,0|1,0,0]=3 15003 B16R1.85802 COc1cc(ccc1OCC(C)(C)CO)F 7a_100000036057_100009813988 [0,2,0,0,0,0|1,0,0]=3 15004 B16R1.85802 COc1cc(ccc1OCC(C)(C)CO)I 34a_100000049635_100009813988 [0,2,0,0,0,0|1,0,0]=3 15005 B16R1.85802 COc1cc(ccc1OCC(C)(C)CO)N 34a_100000726020_100009813988 [0,2,0,0,0,0|1,0,0]=3 15006 B16R1.85802 COc1cc(ccc1SCC(C)(C)CO)Br 62a_100009813988_100010245111 [0,2,0,0,0,0|1,1,0]=4 15007 B16R1.85802 COc1cc(ccc1SCC(C)(C)CO)Br 62a_100010245111_100009813988 [0,2,0,0,0,0|1,1,0]=4 15008 B16R1.85802 COc1cc(ccc1SCC(C)(C)CO)C 62a_100009813988_100010200004 [0,2,0,0,0,0|1,1,0]=4 15009 B16R1.85802 COc1cc(ccc1SCC(C)(C)CO)C 62a_100010200004_100009813988 [0,2,0,0,0,0|1,1,0]=4 15010 B16R1.85802 COc1cc(ccc1SCC(C)(C)CO)Cl 62a_100000050115_100009813988 [0,2,0,0,0,0|1,1,0]=4 15011 B16R1.85802 COc1cc(ccc1SCC(C)(C)CO)Cl 62a_100009813988_100000050115 [0,2,0,0,0,0|1,1,0]=4 15012 B16R1.85802 COc1cc(ccc1SCC(C)(C)CO)F 62a_100000757151_100009813988 [0,2,0,0,0,0|1,1,0]=4 15013 B16R1.85802 COc1cc(ccc1SCC(C)(C)CO)F 62a_100009813988_100000757151 [0,2,0,0,0,0|1,1,0]=4 15014 B16R1.85802 COc1cc(ccc1SCC(C)(C)CO)N 62a_100000765947_100009813988 [0,2,0,0,0,0|1,1,0]=4 15015 B16R1.85802 COc1cc(ccc1SCC(C)(C)CO)N 62a_100009813988_100000765947 [0,2,0,0,0,0|1,1,0]=4 15016 B16R1.85802 COc1cc(ccc1SCC(C)(C)CO)O 62a_100009813988_100011827694 [0,2,0,0,0,0|1,1,0]=4 15017 B16R1.85802 COc1cc(cnc1OCC(C)(C)CO)Cl 34a_200009845368_100009813988 [0,2,0,0,0,0|2,0,0]=4 15018 B16R1.85802 COc1nc(ccc1OCC(C)(C)CO)Br 34a_100010893133_100009813988 [0,2,0,0,0,0|2,0,0]=4 15019 B16R1.5952 CCC(O)CC(=O)c1cccc(c1OC)Br 1458a_100000689802_100011218378 [0,2,0,0,0,0|2,0,0]=4 15020 B16R1.5952 CCC(O)CC(=O)c1cccc(c1OC)C 1458a_100000187929_100011218378 [0,2,0,0,0,0|2,0,0]=4 15021 B16R1.5952 CCC(O)CC(=O)c1cccc(c1OC)Cl 1458a_100011934004_100011218378 [0,2,0,0,0,0|2,0,0]=4 15022 B16R1.5952 CCC(O)CC(=O)c1cccc(c1OC)F 1458a_100011218433_100011218378 [0,2,0,0,0,0|2,0,0]=4 15023 B16R1.5952 CCC(O)CC(=O)c1cccc(c1OC)O 1458a_100000080799_100011218378 [0,2,0,0,0,0|2,0,0]=4 15024 B16R1.5952 COc1c(cccc1C(=O)C[C@@H](C)CO)Br 1458a_100000689802_100000059175 [0,2,0,0,0,0|2,0,0]=4 15025 B16R1.5952 COc1c(cccc1C(=O)C[C@@H](C)CO)C 1458a_100000187929_100000059175 [0,2,0,0,0,0|2,0,0]=4 15026 B16R1.5952 COc1c(cccc1C(=O)C[C@@H](C)CO)Cl 1458a_100011934004_100000059175 [0,2,0,0,0,0|2,0,0]=4 15027 B16R1.5952 COc1c(cccc1C(=O)C[C@@H](C)CO)F 1458a_100011218433_100000059175 [0,2,0,0,0,0|2,0,0]=4 15028 B16R1.5952 COc1c(cccc1C(=O)C[C@@H](C)CO)O 1458a_100000080799_100000059175 [0,2,0,0,0,0|2,0,0]=4 15029 B16R1.19717 C=CC(O)COc1cccc(c1OC)C#N 34a_200009874251_100000730141 [0,2,0,0,0,0|1,0,1]=4 15030 B16R1.19717 C=CC(O)COc1cccc(c1OC)OC 34a_100000032319_100000730141 [0,2,0,0,0,0|1,0,1]=4 15031 B16R1.19717 CCC(C)COc1cccc(c1OC)C#N 34a_200009874251_100000748023 [0,2,0,0,0,0|2,0,0]=4 15032 B16R1.19717 CCC(C)COc1cccc(c1OC)OC 34a_100000032319_100000748023 [0,2,0,0,0,0|2,0,0]=4 15033 B16R1.19717 CCC(O)CNc1cccc(c1OC)C#N 34a_100000128487_100011218378 [0,2,0,0,0,0|2,0,0]=4 15034 B16R1.19717 CCC(O)CNc1cccc(c1OC)OC 34a_100011217386_100011218378 [0,2,0,0,0,0|2,0,0]=4 15035 B16R1.19717 CCC(O)COc1cccc(c1OC)C#N 34a_200009874251_100011218378 [0,2,0,0,0,0|1,0,0]=3 15036 B16R1.19717 CCC(O)COc1cccc(c1OC)OC 34a_100000032319_100011218378 [0,2,0,0,0,0|1,0,0]=3 15037 B16R1.19717 CCC(O)CSc1cccc(c1OC)C#N 62a_100011218378_100009817008 [0,2,0,0,0,0|1,1,0]=4 15038 B16R1.19717 CCC(O)CSc1cccc(c1OC)C=O 62a_100000692592_100011218378 [0,2,0,0,0,0|1,1,0]=4 15039 B16R1.19717 CCC(O)CSc1cccc(c1OC)C=O 62a_100011218378_100000692592 [0,2,0,0,0,0|1,1,0]=4 15040 B16R1.19717 CCC(O)CSc1cccc(c1OC)CO 62a_100000704359_100011218378 [0,2,0,0,0,0|1,1,0]=4 15041 B16R1.19717 CCC(O)CSc1cccc(c1OC)CO 62a_100011218378_100000704359 [0,2,0,0,0,0|1,1,0]=4 15042 B16R1.19717 CCC(O)CSc1cccc(c1OC)OC 62a_100011218378_100010163134 [0,2,0,0,0,0|1,1,0]=4 15043 B16R1.19717 CC[C@H](C)COc1cccc(c1OC)C#N 34a_200009874251_100009816398 [0,2,0,0,0,0|2,0,0]=4 15044 B16R1.19717 CC[C@H](C)COc1cccc(c1OC)OC 34a_100000032319_100009816398 [0,2,0,0,0,0|2,0,0]=4 15045 B16R1.19717 COc1c(cccc1NCC(O)CO)C#N 34a_100000128487_100011219619 [0,2,0,0,0,0|1,0,0]=3 15046 B16R1.19717 COc1c(cccc1NC[C@@H](C)CO)C#N 34a_100000128487_100000059175 [0,2,0,0,0,0|2,0,0]=4 15047 B16R1.19717 COc1c(cccc1NC[C@@H](O)CF)C#N 34a_100000128487_100015614560 [0,2,0,0,0,0|2,0,0]=4 15048 B16R1.19717 COc1c(cccc1NC[C@@H](O)CO)C#N 34a_100000128487_100009815848 [0,2,0,0,0,0|1,0,0]=3 15049 B16R1.19717 COc1c(cccc1OCC(O)CO)C#N 34a_200009874251_100011219619 [0,2,0,0,0,0|0,0,0]=2 15050 B16R1.19717 COc1c(cccc1OC[C@@H](C)CO)C#N 34a_200009874251_100000059175 [0,2,0,0,0,0|1,0,0]=3 15051 B16R1.19717 COc1c(cccc1OC[C@@H](O)CF)C#N 34a_200009874251_100015614560 [0,2,0,0,0,0|1,0,0]=3 15052 B16R1.19717 COc1c(cccc1OC[C@@H](O)CO)C#N 34a_200009874251_100009815848 [0,2,0,0,0,0|0,0,0]=2 15053 B16R1.19717 COc1c(cccc1SCC(O)CO)C#N 62a_100011219619_100009817008 [0,2,0,0,0,0|0,1,0]=3 15054 B16R1.19717 COc1c(cccc1SCC(O)CO)C=O 62a_100000692592_100011219619 [0,2,0,0,0,0|0,1,0]=3 15055 B16R1.19717 COc1c(cccc1SCC(O)CO)C=O 62a_100011219619_100000692592 [0,2,0,0,0,0|0,1,0]=3 15056 B16R1.19717 COc1c(cccc1SCC(O)CO)CO 62a_100000704359_100011219619 [0,2,0,0,0,0|0,1,0]=3 15057 B16R1.19717 COc1c(cccc1SCC(O)CO)CO 62a_100011219619_100000704359 [0,2,0,0,0,0|0,1,0]=3 15058 B16R1.19717 COc1c(cccc1SC[C@@H](C)CO)C#N 62a_100000059175_100009817008 [0,2,0,0,0,0|1,1,0]=4 15059 B16R1.19717 COc1c(cccc1SC[C@@H](C)CO)C=O 62a_100000059175_100000692592 [0,2,0,0,0,0|1,1,0]=4 15060 B16R1.19717 COc1c(cccc1SC[C@@H](C)CO)C=O 62a_100000692592_100000059175 [0,2,0,0,0,0|1,1,0]=4 15061 B16R1.19717 COc1c(cccc1SC[C@@H](C)CO)CO 62a_100000059175_100000704359 [0,2,0,0,0,0|1,1,0]=4 15062 B16R1.19717 COc1c(cccc1SC[C@@H](C)CO)CO 62a_100000704359_100000059175 [0,2,0,0,0,0|1,1,0]=4 15063 B16R1.19717 COc1c(cccc1SC[C@@H](O)CF)C#N 62a_100015614560_100009817008 [0,2,0,0,0,0|1,1,0]=4 15064 B16R1.19717 COc1c(cccc1SC[C@@H](O)CF)C=O 62a_100000692592_100015614560 [0,2,0,0,0,0|1,1,0]=4 15065 B16R1.19717 COc1c(cccc1SC[C@@H](O)CF)C=O 62a_100015614560_100000692592 [0,2,0,0,0,0|1,1,0]=4 15066 B16R1.19717 COc1c(cccc1SC[C@@H](O)CF)CO 62a_100000704359_100015614560 [0,2,0,0,0,0|1,1,0]=4 15067 B16R1.19717 COc1c(cccc1SC[C@@H](O)CF)CO 62a_100015614560_100000704359 [0,2,0,0,0,0|1,1,0]=4 15068 B16R1.19717 COc1c(cccc1SC[C@@H](O)CO)C#N 62a_100009815848_100009817008 [0,2,0,0,0,0|0,1,0]=3 15069 B16R1.19717 COc1c(cccc1SC[C@@H](O)CO)C=O 62a_100000692592_100009815848 [0,2,0,0,0,0|0,1,0]=3 15070 B16R1.19717 COc1c(cccc1SC[C@@H](O)CO)C=O 62a_100009815848_100000692592 [0,2,0,0,0,0|0,1,0]=3 15071 B16R1.19717 COc1c(cccc1SC[C@@H](O)CO)CO 62a_100000704359_100009815848 [0,2,0,0,0,0|0,1,0]=3 15072 B16R1.19717 COc1c(cccc1SC[C@@H](O)CO)CO 62a_100009815848_100000704359 [0,2,0,0,0,0|0,1,0]=3 15073 B16R1.19717 COc1c(ccnc1CO)SCC(O)CO 62a_100009869429_100011219619 [0,2,0,0,0,0|1,1,0]=4 15074 B16R1.19717 COc1c(ccnc1CO)SCC(O)CO 62a_100011219619_100009869429 [0,2,0,0,0,0|1,1,0]=4 15075 B16R1.19717 COc1c(ccnc1CO)SC[C@@H](O)CO 62a_100009815848_100009869429 [0,2,0,0,0,0|1,1,0]=4 15076 B16R1.19717 COc1c(ccnc1CO)SC[C@@H](O)CO 62a_100009869429_100009815848 [0,2,0,0,0,0|1,1,0]=4 15077 B16R1.19717 COc1c(ccnc1SCC(O)CO)C=O 62a_100011219619_100009863717 [0,2,0,0,0,0|1,1,0]=4 15078 B16R1.19717 COc1c(ccnc1SCC(O)CO)C=O 62a_200009814792_100011219619 [0,2,0,0,0,0|1,1,0]=4 15079 B16R1.19717 COc1c(ccnc1SC[C@@H](O)CO)C=O 62a_100009815848_100009863717 [0,2,0,0,0,0|1,1,0]=4 15080 B16R1.19717 COc1c(ccnc1SC[C@@H](O)CO)C=O 62a_200009814792_100009815848 [0,2,0,0,0,0|1,1,0]=4 15081 B16R1.19717 COc1c(cncc1SCC(O)CO)C#N 62a_100011219619_100016142170 [0,2,0,0,0,0|1,1,0]=4 15082 B16R1.19717 COc1c(cncc1SCC(O)CO)C=O 62a_100011219619_100015834815 [0,2,0,0,0,0|1,1,0]=4 15083 B16R1.19717 COc1c(cncc1SCC(O)CO)C=O 62a_100015834815_100011219619 [0,2,0,0,0,0|1,1,0]=4 15084 B16R1.19717 COc1c(cncc1SC[C@@H](O)CO)C#N 62a_100009815848_100016142170 [0,2,0,0,0,0|1,1,0]=4 15085 B16R1.19717 COc1c(cncc1SC[C@@H](O)CO)C=O 62a_100009815848_100015834815 [0,2,0,0,0,0|1,1,0]=4 15086 B16R1.19717 COc1c(cncc1SC[C@@H](O)CO)C=O 62a_100015834815_100009815848 [0,2,0,0,0,0|1,1,0]=4 15087 B16R1.19717 COc1cccc(c1OC)NCC(O)CO 34a_100011217386_100011219619 [0,2,0,0,0,0|1,0,0]=3 15088 B16R1.19717 COc1cccc(c1OC)NC[C@@H](C)CO 34a_100011217386_100000059175 [0,2,0,0,0,0|2,0,0]=4 15089 B16R1.19717 COc1cccc(c1OC)NC[C@@H](O)CF 34a_100011217386_100015614560 [0,2,0,0,0,0|2,0,0]=4 15090 B16R1.19717 COc1cccc(c1OC)NC[C@@H](O)CO 34a_100011217386_100009815848 [0,2,0,0,0,0|1,0,0]=3 15091 B16R1.19717 COc1cccc(c1OC)OCC(O)CO 34a_100000032319_100011219619 [0,2,0,0,0,0|0,0,0]=2 15092 B16R1.19717 COc1cccc(c1OC)OC[C@@H](C)CO 34a_100000032319_100000059175 [0,2,0,0,0,0|1,0,0]=3 15093 B16R1.19717 COc1cccc(c1OC)OC[C@@H](O)CF 34a_100000032319_100015614560 [0,2,0,0,0,0|1,0,0]=3 15094 B16R1.19717 COc1cccc(c1OC)OC[C@@H](O)CO 34a_100000032319_100009815848 [0,2,0,0,0,0|0,0,0]=2 15095 B16R1.19717 COc1cccc(c1OC)SCC(O)CO 62a_100011219619_100010163134 [0,2,0,0,0,0|0,1,0]=3 15096 B16R1.19717 COc1cccc(c1OC)SC[C@@H](C)CO 62a_100000059175_100010163134 [0,2,0,0,0,0|1,1,0]=4 15097 B16R1.19717 COc1cccc(c1OC)SC[C@@H](O)CF 62a_100015614560_100010163134 [0,2,0,0,0,0|1,1,0]=4 15098 B16R1.19717 COc1cccc(c1OC)SC[C@@H](O)CO 62a_100009815848_100010163134 [0,2,0,0,0,0|0,1,0]=3 15099 B16R1.35948 CCC(O)CNc1ccc(c(c1OC)Br)F 2230a_102516457224_100011218378 [0,2,0,0,0,0|2,0,0]=4 15100 B16R1.35948 CCC(O)CNc1ccc(c(c1OC)Br)F 34a_102516457224_100011218378 [0,2,0,0,0,0|2,0,0]=4 15101 B16R1.35948 CCC(O)CNc1ccc(c(c1OC)F)Br 2230a_100010734149_100011218378 [0,2,0,0,0,0|2,0,0]=4 15102 B16R1.35948 CCC(O)CNc1ccc(c(c1OC)F)Br 34a_100010734149_100011218378 [0,2,0,0,0,0|2,0,0]=4 15103 B16R1.35948 CCC(O)CNc1ccc(c(c1OC)F)F 2230a_100011695293_100011218378 [0,2,0,0,0,0|2,0,0]=4 15104 B16R1.35948 CCC(O)CNc1ccc(c(c1OC)F)F 34a_100011695293_100011218378 [0,2,0,0,0,0|2,0,0]=4 15105 B16R1.35948 CCC(O)CSc1ccc(c(c1OC)F)C 62a_100010081143_100011218378 [0,2,0,0,0,0|1,1,0]=4 15106 B16R1.35948 CCC(O)CSc1ccc(c(c1OC)F)C 62a_100011218378_100010081143 [0,2,0,0,0,0|1,1,0]=4 15107 B16R1.35948 CCC(O)CSc1ccc(c(c1OC)F)F 62a_100010223324_100011218378 [0,2,0,0,0,0|1,1,0]=4 15108 B16R1.35948 CCC(O)CSc1ccc(c(c1OC)F)F 62a_100011218378_100010223324 [0,2,0,0,0,0|1,1,0]=4 15109 B16R1.35948 CCC(O)CSc1ccc(c(c1OC)O)F 62a_100011218378_200010167157 [0,2,0,0,0,0|1,1,0]=4 15110 B16R1.35948 COc1c(cc[n+](c1C)[O-])SCC(O)CO 62a_100011219619_100000067051 [0,2,0,0,0,0|1,1,0]=4 15111 B16R1.35948 COc1c(cc[n+](c1C)[O-])SC[C@@H](O)CO 62a_100009815848_100000067051 [0,2,0,0,0,0|1,1,0]=4 15112 B16R1.35948 COc1c(ccc(c1Br)F)NCC(O)CO 2230a_102516457224_100011219619 [0,2,0,0,0,0|1,0,0]=3 15113 B16R1.35948 COc1c(ccc(c1Br)F)NCC(O)CO 34a_102516457224_100011219619 [0,2,0,0,0,0|1,0,0]=3 15114 B16R1.35948 COc1c(ccc(c1Br)F)NC[C@@H](C)CO 2230a_102516457224_100000059175 [0,2,0,0,0,0|2,0,0]=4 15115 B16R1.35948 COc1c(ccc(c1Br)F)NC[C@@H](C)CO 34a_102516457224_100000059175 [0,2,0,0,0,0|2,0,0]=4 15116 B16R1.35948 COc1c(ccc(c1Br)F)NC[C@@H](O)CF 2230a_102516457224_100015614560 [0,2,0,0,0,0|2,0,0]=4 15117 B16R1.35948 COc1c(ccc(c1Br)F)NC[C@@H](O)CF 34a_102516457224_100015614560 [0,2,0,0,0,0|2,0,0]=4 15118 B16R1.35948 COc1c(ccc(c1Br)F)NC[C@@H](O)CO 2230a_102516457224_100009815848 [0,2,0,0,0,0|1,0,0]=3 15119 B16R1.35948 COc1c(ccc(c1Br)F)NC[C@@H](O)CO 34a_102516457224_100009815848 [0,2,0,0,0,0|1,0,0]=3 15120 B16R1.35948 COc1c(ccc(c1F)Br)NCC(O)CO 2230a_100010734149_100011219619 [0,2,0,0,0,0|1,0,0]=3 15121 B16R1.35948 COc1c(ccc(c1F)Br)NCC(O)CO 34a_100010734149_100011219619 [0,2,0,0,0,0|1,0,0]=3 15122 B16R1.35948 COc1c(ccc(c1F)Br)NC[C@@H](C)CO 2230a_100010734149_100000059175 [0,2,0,0,0,0|2,0,0]=4 15123 B16R1.35948 COc1c(ccc(c1F)Br)NC[C@@H](C)CO 34a_100010734149_100000059175 [0,2,0,0,0,0|2,0,0]=4 15124 B16R1.35948 COc1c(ccc(c1F)Br)NC[C@@H](O)CF 2230a_100010734149_100015614560 [0,2,0,0,0,0|2,0,0]=4 15125 B16R1.35948 COc1c(ccc(c1F)Br)NC[C@@H](O)CF 34a_100010734149_100015614560 [0,2,0,0,0,0|2,0,0]=4 15126 B16R1.35948 COc1c(ccc(c1F)Br)NC[C@@H](O)CO 2230a_100010734149_100009815848 [0,2,0,0,0,0|1,0,0]=3 15127 B16R1.35948 COc1c(ccc(c1F)Br)NC[C@@H](O)CO 34a_100010734149_100009815848 [0,2,0,0,0,0|1,0,0]=3 15128 B16R1.35948 COc1c(ccc(c1F)C)SCC(O)CO 62a_100010081143_100011219619 [0,2,0,0,0,0|0,1,0]=3 15129 B16R1.35948 COc1c(ccc(c1F)C)SCC(O)CO 62a_100011219619_100010081143 [0,2,0,0,0,0|0,1,0]=3 15130 B16R1.35948 COc1c(ccc(c1F)C)SC[C@@H](C)CO 62a_100000059175_100010081143 [0,2,0,0,0,0|1,1,0]=4 15131 B16R1.35948 COc1c(ccc(c1F)C)SC[C@@H](C)CO 62a_100010081143_100000059175 [0,2,0,0,0,0|1,1,0]=4 15132 B16R1.35948 COc1c(ccc(c1F)C)SC[C@@H](O)CF 62a_100010081143_100015614560 [0,2,0,0,0,0|1,1,0]=4 15133 B16R1.35948 COc1c(ccc(c1F)C)SC[C@@H](O)CF 62a_100015614560_100010081143 [0,2,0,0,0,0|1,1,0]=4 15134 B16R1.35948 COc1c(ccc(c1F)C)SC[C@@H](O)CO 62a_100009815848_100010081143 [0,2,0,0,0,0|0,1,0]=3 15135 B16R1.35948 COc1c(ccc(c1F)C)SC[C@@H](O)CO 62a_100010081143_100009815848 [0,2,0,0,0,0|0,1,0]=3 15136 B16R1.35948 COc1c(ccc(c1F)F)NCC(O)CO 2230a_100011695293_100011219619 [0,2,0,0,0,0|1,0,0]=3 15137 B16R1.35948 COc1c(ccc(c1F)F)NCC(O)CO 34a_100011695293_100011219619 [0,2,0,0,0,0|1,0,0]=3 15138 B16R1.35948 COc1c(ccc(c1F)F)NC[C@@H](C)CO 2230a_100011695293_100000059175 [0,2,0,0,0,0|2,0,0]=4 15139 B16R1.35948 COc1c(ccc(c1F)F)NC[C@@H](C)CO 34a_100011695293_100000059175 [0,2,0,0,0,0|2,0,0]=4 15140 B16R1.35948 COc1c(ccc(c1F)F)NC[C@@H](O)CF 2230a_100011695293_100015614560 [0,2,0,0,0,0|2,0,0]=4 15141 B16R1.35948 COc1c(ccc(c1F)F)NC[C@@H](O)CF 34a_100011695293_100015614560 [0,2,0,0,0,0|2,0,0]=4 15142 B16R1.35948 COc1c(ccc(c1F)F)NC[C@@H](O)CO 2230a_100011695293_100009815848 [0,2,0,0,0,0|1,0,0]=3 15143 B16R1.35948 COc1c(ccc(c1F)F)NC[C@@H](O)CO 34a_100011695293_100009815848 [0,2,0,0,0,0|1,0,0]=3 15144 B16R1.35948 COc1c(ccc(c1F)F)SCC(O)CO 62a_100010223324_100011219619 [0,2,0,0,0,0|0,1,0]=3 15145 B16R1.35948 COc1c(ccc(c1F)F)SCC(O)CO 62a_100011219619_100010223324 [0,2,0,0,0,0|0,1,0]=3 15146 B16R1.35948 COc1c(ccc(c1F)F)SC[C@@H](C)CO 62a_100000059175_100010223324 [0,2,0,0,0,0|1,1,0]=4 15147 B16R1.35948 COc1c(ccc(c1F)F)SC[C@@H](C)CO 62a_100010223324_100000059175 [0,2,0,0,0,0|1,1,0]=4 15148 B16R1.35948 COc1c(ccc(c1F)F)SC[C@@H](O)CF 62a_100010223324_100015614560 [0,2,0,0,0,0|1,1,0]=4 15149 B16R1.35948 COc1c(ccc(c1F)F)SC[C@@H](O)CF 62a_100015614560_100010223324 [0,2,0,0,0,0|1,1,0]=4 15150 B16R1.35948 COc1c(ccc(c1F)F)SC[C@@H](O)CO 62a_100009815848_100010223324 [0,2,0,0,0,0|0,1,0]=3 15151 B16R1.35948 COc1c(ccc(c1F)F)SC[C@@H](O)CO 62a_100010223324_100009815848 [0,2,0,0,0,0|0,1,0]=3 15152 B16R1.35948 COc1c(ccc(c1O)F)SCC(O)CO 62a_100011219619_200010167157 [0,2,0,0,0,0|0,1,0]=3 15153 B16R1.35948 COc1c(ccc(c1O)F)SC[C@@H](C)CO 62a_100000059175_200010167157 [0,2,0,0,0,0|1,1,0]=4 15154 B16R1.35948 COc1c(ccc(c1O)F)SC[C@@H](O)CF 62a_100015614560_200010167157 [0,2,0,0,0,0|1,1,0]=4 15155 B16R1.35948 COc1c(ccc(c1O)F)SC[C@@H](O)CO 62a_100009815848_200010167157 [0,2,0,0,0,0|0,1,0]=3 15156 B16R1.35948 CSc1c(ccc(c1F)C)SCC(O)CO 62a_100011219619_200134762213 [0,2,0,0,0,0|0,2,0]=4 15157 B16R1.35948 CSc1c(ccc(c1F)C)SCC(O)CO 62a_200134762213_100011219619 [0,2,0,0,0,0|0,2,0]=4 15158 B16R1.35948 CSc1c(ccc(c1F)C)SC[C@@H](O)CO 62a_100009815848_200134762213 [0,2,0,0,0,0|0,2,0]=4 15159 B16R1.35948 CSc1c(ccc(c1F)C)SC[C@@H](O)CO 62a_200134762213_100009815848 [0,2,0,0,0,0|0,2,0]=4 15160 B16R1.35948 N#Cc1c(ccc(c1Br)Cl)OCC(O)CO 34a_100015534069_100011219619 [0,2,0,0,0,0|2,0,0]=4 15161 B16R1.35948 N#Cc1c(ccc(c1Br)Cl)OCC(O)CO 7a_100015534069_100011219619 [0,2,0,0,0,0|2,0,0]=4 15162 B16R1.35948 N#Cc1c(ccc(c1Br)Cl)OC[C@@H](O)CO 34a_100015534069_100009815848 [0,2,0,0,0,0|2,0,0]=4 15163 B16R1.35948 N#Cc1c(ccc(c1Br)Cl)OC[C@@H](O)CO 7a_100015534069_100009815848 [0,2,0,0,0,0|2,0,0]=4 15164 B16R1.36342 CCC(O)CNc1cc(cc(c1OC)Br)Cl 34a_100000243884_100011218378 [0,2,0,0,0,0|2,0,0]=4 15165 B16R1.36342 CCC(O)CNc1cc(cc(c1OC)Br)F 34a_100011190657_100011218378 [0,2,0,0,0,0|2,0,0]=4 15166 B16R1.36342 CCC(O)CNc1cc(cc(c1OC)Cl)Cl 34a_100009871722_100011218378 [0,2,0,0,0,0|2,0,0]=4 15167 B16R1.36342 CCC(O)CNc1cc(cc(c1OC)F)Br 34a_200010245146_100011218378 [0,2,0,0,0,0|2,0,0]=4 15168 B16R1.36342 CCC(O)CNc1cc(cc(c1OC)F)C 34a_100009958095_100011218378 [0,2,0,0,0,0|2,0,0]=4 15169 B16R1.36342 CCC(O)CNc1cc(cc(c1OC)F)F 34a_100000061580_100011218378 [0,2,0,0,0,0|2,0,0]=4 15170 B16R1.36342 CCC(O)CSc1cc(cc(c1OC)C)N 62a_100010071304_100011218378 [0,2,0,0,0,0|1,1,0]=4 15171 B16R1.36342 CCC(O)CSc1cc(cc(c1OC)C)N 62a_100011218378_100010071304 [0,2,0,0,0,0|1,1,0]=4 15172 B16R1.36342 CCC(O)CSc1cc(cc(c1OC)F)C 62a_100011218378_200010713180 [0,2,0,0,0,0|1,1,0]=4 15173 B16R1.36342 CCC(O)CSc1cc(cc(c1OC)F)C 62a_200010713180_100011218378 [0,2,0,0,0,0|1,1,0]=4 15174 B16R1.36342 CCC(O)CSc1cc(cc(c1OC)F)F 62a_100009813607_100011218378 [0,2,0,0,0,0|1,1,0]=4 15175 B16R1.36342 CCC(O)CSc1cc(cc(c1OC)F)F 62a_100011218378_100009813607 [0,2,0,0,0,0|1,1,0]=4 15176 B16R1.36342 CCC(O)CSc1cc(cc(c1OC)F)N 62a_100011218378_200009816006 [0,2,0,0,0,0|1,1,0]=4 15177 B16R1.36342 CCC(O)CSc1cc(cc(c1OC)F)N 62a_200009816006_100011218378 [0,2,0,0,0,0|1,1,0]=4 15178 B16R1.36342 CCC(O)CSc1cc(cc(c1OC)N)Br 62a_100011218378_100015658936 [0,2,0,0,0,0|1,1,0]=4 15179 B16R1.36342 CCC(O)CSc1cc(cc(c1OC)N)Br 62a_100015658936_100011218378 [0,2,0,0,0,0|1,1,0]=4 15180 B16R1.36342 CCC(O)CSc1cc(cc(c1OC)N)F 62a_100011190657_100011218378 [0,2,0,0,0,0|1,1,0]=4 15181 B16R1.36342 CCC(O)CSc1cc(cc(c1OC)N)F 62a_100011218378_100011190657 [0,2,0,0,0,0|1,1,0]=4 15182 B16R1.36342 CNc1c(cc(cc1SCC(O)CO)F)N 62a_100011219619_114929179422 [0,2,0,0,0,0|1,1,0]=4 15183 B16R1.36342 CNc1c(cc(cc1SCC(O)CO)F)N 62a_114929179422_100011219619 [0,2,0,0,0,0|1,1,0]=4 15184 B16R1.36342 CNc1c(cc(cc1SC[C@@H](O)CO)F)N 62a_100009815848_114929179422 [0,2,0,0,0,0|1,1,0]=4 15185 B16R1.36342 CNc1c(cc(cc1SC[C@@H](O)CO)F)N 62a_114929179422_100009815848 [0,2,0,0,0,0|1,1,0]=4 15186 B16R1.36342 COc1c(cc(cc1NCC(O)CO)Br)F 34a_200010245146_100011219619 [0,2,0,0,0,0|1,0,0]=3 15187 B16R1.36342 COc1c(cc(cc1NCC(O)CO)C)F 34a_100009958095_100011219619 [0,2,0,0,0,0|1,0,0]=3 15188 B16R1.36342 COc1c(cc(cc1NCC(O)CO)Cl)Br 34a_100000243884_100011219619 [0,2,0,0,0,0|1,0,0]=3 15189 B16R1.36342 COc1c(cc(cc1NCC(O)CO)Cl)Cl 34a_100009871722_100011219619 [0,2,0,0,0,0|1,0,0]=3 15190 B16R1.36342 COc1c(cc(cc1NCC(O)CO)F)Br 34a_100011190657_100011219619 [0,2,0,0,0,0|1,0,0]=3 15191 B16R1.36342 COc1c(cc(cc1NCC(O)CO)F)F 34a_100000061580_100011219619 [0,2,0,0,0,0|1,0,0]=3 15192 B16R1.36342 COc1c(cc(cc1NC[C@@H](C)CO)Br)F 34a_200010245146_100000059175 [0,2,0,0,0,0|2,0,0]=4 15193 B16R1.36342 COc1c(cc(cc1NC[C@@H](C)CO)C)F 34a_100009958095_100000059175 [0,2,0,0,0,0|2,0,0]=4 15194 B16R1.36342 COc1c(cc(cc1NC[C@@H](C)CO)Cl)Br 34a_100000243884_100000059175 [0,2,0,0,0,0|2,0,0]=4 15195 B16R1.36342 COc1c(cc(cc1NC[C@@H](C)CO)Cl)Cl 34a_100009871722_100000059175 [0,2,0,0,0,0|2,0,0]=4 15196 B16R1.36342 COc1c(cc(cc1NC[C@@H](C)CO)F)Br 34a_100011190657_100000059175 [0,2,0,0,0,0|2,0,0]=4 15197 B16R1.36342 COc1c(cc(cc1NC[C@@H](C)CO)F)F 34a_100000061580_100000059175 [0,2,0,0,0,0|2,0,0]=4 15198 B16R1.36342 COc1c(cc(cc1NC[C@@H](O)CF)Br)F 34a_200010245146_100015614560 [0,2,0,0,0,0|2,0,0]=4 15199 B16R1.36342 COc1c(cc(cc1NC[C@@H](O)CF)C)F 34a_100009958095_100015614560 [0,2,0,0,0,0|2,0,0]=4 15200 B16R1.36342 COc1c(cc(cc1NC[C@@H](O)CF)Cl)Br 34a_100000243884_100015614560 [0,2,0,0,0,0|2,0,0]=4 15201 B16R1.36342 COc1c(cc(cc1NC[C@@H](O)CF)Cl)Cl 34a_100009871722_100015614560 [0,2,0,0,0,0|2,0,0]=4 15202 B16R1.36342 COc1c(cc(cc1NC[C@@H](O)CF)F)Br 34a_100011190657_100015614560 [0,2,0,0,0,0|2,0,0]=4 15203 B16R1.36342 COc1c(cc(cc1NC[C@@H](O)CF)F)F 34a_100000061580_100015614560 [0,2,0,0,0,0|2,0,0]=4 15204 B16R1.36342 COc1c(cc(cc1NC[C@@H](O)CO)Br)F 34a_200010245146_100009815848 [0,2,0,0,0,0|1,0,0]=3 15205 B16R1.36342 COc1c(cc(cc1NC[C@@H](O)CO)C)F 34a_100009958095_100009815848 [0,2,0,0,0,0|1,0,0]=3 15206 B16R1.36342 COc1c(cc(cc1NC[C@@H](O)CO)Cl)Br 34a_100000243884_100009815848 [0,2,0,0,0,0|1,0,0]=3 15207 B16R1.36342 COc1c(cc(cc1NC[C@@H](O)CO)Cl)Cl 34a_100009871722_100009815848 [0,2,0,0,0,0|1,0,0]=3 15208 B16R1.36342 COc1c(cc(cc1NC[C@@H](O)CO)F)Br 34a_100011190657_100009815848 [0,2,0,0,0,0|1,0,0]=3 15209 B16R1.36342 COc1c(cc(cc1NC[C@@H](O)CO)F)F 34a_100000061580_100009815848 [0,2,0,0,0,0|1,0,0]=3 15210 B16R1.36342 COc1c(cc(cc1SCC(O)CO)Br)N 62a_100011219619_100015658936 [0,2,0,0,0,0|0,1,0]=3 15211 B16R1.36342 COc1c(cc(cc1SCC(O)CO)Br)N 62a_100015658936_100011219619 [0,2,0,0,0,0|0,1,0]=3 15212 B16R1.36342 COc1c(cc(cc1SCC(O)CO)C)F 62a_100011219619_200010713180 [0,2,0,0,0,0|0,1,0]=3 15213 B16R1.36342 COc1c(cc(cc1SCC(O)CO)C)F 62a_200010713180_100011219619 [0,2,0,0,0,0|0,1,0]=3 15214 B16R1.36342 COc1c(cc(cc1SCC(O)CO)F)F 62a_100009813607_100011219619 [0,2,0,0,0,0|0,1,0]=3 15215 B16R1.36342 COc1c(cc(cc1SCC(O)CO)F)F 62a_100011219619_100009813607 [0,2,0,0,0,0|0,1,0]=3 15216 B16R1.36342 COc1c(cc(cc1SCC(O)CO)F)N 62a_100011190657_100011219619 [0,2,0,0,0,0|0,1,0]=3 15217 B16R1.36342 COc1c(cc(cc1SCC(O)CO)F)N 62a_100011219619_100011190657 [0,2,0,0,0,0|0,1,0]=3 15218 B16R1.36342 COc1c(cc(cc1SCC(O)CO)N)C 62a_100010071304_100011219619 [0,2,0,0,0,0|0,1,0]=3 15219 B16R1.36342 COc1c(cc(cc1SCC(O)CO)N)C 62a_100011219619_100010071304 [0,2,0,0,0,0|0,1,0]=3 15220 B16R1.36342 COc1c(cc(cc1SCC(O)CO)N)F 62a_100011219619_200009816006 [0,2,0,0,0,0|0,1,0]=3 15221 B16R1.36342 COc1c(cc(cc1SCC(O)CO)N)F 62a_200009816006_100011219619 [0,2,0,0,0,0|0,1,0]=3 15222 B16R1.36342 COc1c(cc(cc1SC[C@@H](C)CO)Br)N 62a_100000059175_100015658936 [0,2,0,0,0,0|1,1,0]=4 15223 B16R1.36342 COc1c(cc(cc1SC[C@@H](C)CO)Br)N 62a_100015658936_100000059175 [0,2,0,0,0,0|1,1,0]=4 15224 B16R1.36342 COc1c(cc(cc1SC[C@@H](C)CO)C)F 62a_100000059175_200010713180 [0,2,0,0,0,0|1,1,0]=4 15225 B16R1.36342 COc1c(cc(cc1SC[C@@H](C)CO)C)F 62a_200010713180_100000059175 [0,2,0,0,0,0|1,1,0]=4 15226 B16R1.36342 COc1c(cc(cc1SC[C@@H](C)CO)F)F 62a_100000059175_100009813607 [0,2,0,0,0,0|1,1,0]=4 15227 B16R1.36342 COc1c(cc(cc1SC[C@@H](C)CO)F)F 62a_100009813607_100000059175 [0,2,0,0,0,0|1,1,0]=4 15228 B16R1.36342 COc1c(cc(cc1SC[C@@H](C)CO)F)N 62a_100000059175_100011190657 [0,2,0,0,0,0|1,1,0]=4 15229 B16R1.36342 COc1c(cc(cc1SC[C@@H](C)CO)F)N 62a_100011190657_100000059175 [0,2,0,0,0,0|1,1,0]=4 15230 B16R1.36342 COc1c(cc(cc1SC[C@@H](C)CO)N)C 62a_100000059175_100010071304 [0,2,0,0,0,0|1,1,0]=4 15231 B16R1.36342 COc1c(cc(cc1SC[C@@H](C)CO)N)C 62a_100010071304_100000059175 [0,2,0,0,0,0|1,1,0]=4 15232 B16R1.36342 COc1c(cc(cc1SC[C@@H](C)CO)N)F 62a_100000059175_200009816006 [0,2,0,0,0,0|1,1,0]=4 15233 B16R1.36342 COc1c(cc(cc1SC[C@@H](C)CO)N)F 62a_200009816006_100000059175 [0,2,0,0,0,0|1,1,0]=4 15234 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CF)Br)N 62a_100015614560_100015658936 [0,2,0,0,0,0|1,1,0]=4 15235 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CF)Br)N 62a_100015658936_100015614560 [0,2,0,0,0,0|1,1,0]=4 15236 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CF)C)F 62a_100015614560_200010713180 [0,2,0,0,0,0|1,1,0]=4 15237 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CF)C)F 62a_200010713180_100015614560 [0,2,0,0,0,0|1,1,0]=4 15238 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CF)F)F 62a_100009813607_100015614560 [0,2,0,0,0,0|1,1,0]=4 15239 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CF)F)F 62a_100015614560_100009813607 [0,2,0,0,0,0|1,1,0]=4 15240 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CF)F)N 62a_100011190657_100015614560 [0,2,0,0,0,0|1,1,0]=4 15241 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CF)F)N 62a_100015614560_100011190657 [0,2,0,0,0,0|1,1,0]=4 15242 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CF)N)C 62a_100010071304_100015614560 [0,2,0,0,0,0|1,1,0]=4 15243 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CF)N)C 62a_100015614560_100010071304 [0,2,0,0,0,0|1,1,0]=4 15244 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CF)N)F 62a_100015614560_200009816006 [0,2,0,0,0,0|1,1,0]=4 15245 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CF)N)F 62a_200009816006_100015614560 [0,2,0,0,0,0|1,1,0]=4 15246 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CO)Br)N 62a_100009815848_100015658936 [0,2,0,0,0,0|0,1,0]=3 15247 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CO)Br)N 62a_100015658936_100009815848 [0,2,0,0,0,0|0,1,0]=3 15248 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CO)C)F 62a_100009815848_200010713180 [0,2,0,0,0,0|0,1,0]=3 15249 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CO)C)F 62a_200010713180_100009815848 [0,2,0,0,0,0|0,1,0]=3 15250 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CO)F)F 62a_100009813607_100009815848 [0,2,0,0,0,0|0,1,0]=3 15251 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CO)F)F 62a_100009815848_100009813607 [0,2,0,0,0,0|0,1,0]=3 15252 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CO)F)N 62a_100009815848_100011190657 [0,2,0,0,0,0|0,1,0]=3 15253 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CO)F)N 62a_100011190657_100009815848 [0,2,0,0,0,0|0,1,0]=3 15254 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CO)N)C 62a_100009815848_100010071304 [0,2,0,0,0,0|0,1,0]=3 15255 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CO)N)C 62a_100010071304_100009815848 [0,2,0,0,0,0|0,1,0]=3 15256 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CO)N)F 62a_100009815848_200009816006 [0,2,0,0,0,0|0,1,0]=3 15257 B16R1.36342 COc1c(cc(cc1SC[C@@H](O)CO)N)F 62a_200009816006_100009815848 [0,2,0,0,0,0|0,1,0]=3 15258 B16R1.36342 CSc1c(cc(cc1SCC(O)CO)C)F 62a_100011219619_202125771776 [0,2,0,0,0,0|0,2,0]=4 15259 B16R1.36342 CSc1c(cc(cc1SCC(O)CO)C)F 62a_202125771776_100011219619 [0,2,0,0,0,0|0,2,0]=4 15260 B16R1.36342 CSc1c(cc(cc1SC[C@@H](O)CO)C)F 62a_100009815848_202125771776 [0,2,0,0,0,0|0,2,0]=4 15261 B16R1.36342 CSc1c(cc(cc1SC[C@@H](O)CO)C)F 62a_202125771776_100009815848 [0,2,0,0,0,0|0,2,0]=4 15262 B16R1.36342 Cc1cc(c(c(c1)OCC(O)CO)C#N)C 34a_100010659394_100011219619 [0,2,0,0,0,0|2,0,0]=4 15263 B16R1.36342 Cc1cc(c(c(c1)OCC(O)CO)C#N)C 7a_100010659394_100011219619 [0,2,0,0,0,0|2,0,0]=4 15264 B16R1.36342 Cc1cc(c(c(c1)OC[C@@H](O)CO)C#N)C 34a_100010659394_100009815848 [0,2,0,0,0,0|2,0,0]=4 15265 B16R1.36342 Cc1cc(c(c(c1)OC[C@@H](O)CO)C#N)C 7a_100010659394_100009815848 [0,2,0,0,0,0|2,0,0]=4 15266 B16R1.36342 N#Cc1c(cc(cc1OCC(O)CO)Br)F 34a_200011156622_100011219619 [0,2,0,0,0,0|2,0,0]=4 15267 B16R1.36342 N#Cc1c(cc(cc1OCC(O)CO)Br)F 7a_200011156622_100011219619 [0,2,0,0,0,0|2,0,0]=4 15268 B16R1.36342 N#Cc1c(cc(cc1OC[C@@H](O)CO)Br)F 34a_200011156622_100009815848 [0,2,0,0,0,0|2,0,0]=4 15269 B16R1.36342 N#Cc1c(cc(cc1OC[C@@H](O)CO)Br)F 7a_200011156622_100009815848 [0,2,0,0,0,0|2,0,0]=4 15270 B16R1.4752 CCC(O)CC(=O)c1ccc(cc1OC)Br 1458a_100000748230_100011218378 [0,2,0,0,0,0|2,0,0]=4 15271 B16R1.4752 CCC(O)CC(=O)c1ccc(cc1OC)C 1458a_100000217210_100011218378 [0,2,0,0,0,0|2,0,0]=4 15272 B16R1.4752 CCC(O)CC(=O)c1ccc(cc1OC)Cl 1458a_100000217211_100011218378 [0,2,0,0,0,0|2,0,0]=4 15273 B16R1.4752 CCC(O)CC(=O)c1ccc(cc1OC)F 1458a_100000239970_100011218378 [0,2,0,0,0,0|2,0,0]=4 15274 B16R1.4752 CCC(O)CC(=O)c1ccc(cc1OC)I 1458a_100012353712_100011218378 [0,2,0,0,0,0|2,0,0]=4 15275 B16R1.4752 CCC(O)CN(C)c1ccc(cc1OC)Cl 2230a_100000061351_100011218378 [0,2,0,0,0,0|2,0,0]=4 15276 B16R1.4752 CCC(O)CN(C)c1ccc(cc1OC)Cl 269982a_100000061351_100011218378 [0,2,0,0,0,0|2,0,0]=4 15277 B16R1.4752 CCC(O)CN(C)c1ccc(cc1OC)Cl 34a_100000061351_100011218378 [0,2,0,0,0,0|2,0,0]=4 15278 B16R1.4752 CCC(O)CN(C)c1ccc(cc1OC)F 2230a_100020633920_100011218378 [0,2,0,0,0,0|2,0,0]=4 15279 B16R1.4752 CCC(O)CN(C)c1ccc(cc1OC)F 269982a_100020633920_100011218378 [0,2,0,0,0,0|2,0,0]=4 15280 B16R1.4752 CCC(O)CN(C)c1ccc(cc1OC)F 34a_100020633920_100011218378 [0,2,0,0,0,0|2,0,0]=4 15281 B16R1.4752 CCC(O)CN(C)c1ccc(cc1OC)F 38a_100020633920_100011218378 [0,2,0,0,0,0|2,0,0]=4 15282 B16R1.4752 COc1cc(ccc1C(=O)C[C@@H](C)CO)Br 1458a_100000748230_100000059175 [0,2,0,0,0,0|2,0,0]=4 15283 B16R1.4752 COc1cc(ccc1C(=O)C[C@@H](C)CO)C 1458a_100000217210_100000059175 [0,2,0,0,0,0|2,0,0]=4 15284 B16R1.4752 COc1cc(ccc1C(=O)C[C@@H](C)CO)Cl 1458a_100000217211_100000059175 [0,2,0,0,0,0|2,0,0]=4 15285 B16R1.4752 COc1cc(ccc1C(=O)C[C@@H](C)CO)F 1458a_100000239970_100000059175 [0,2,0,0,0,0|2,0,0]=4 15286 B16R1.4752 COc1cc(ccc1C(=O)C[C@@H](C)CO)I 1458a_100012353712_100000059175 [0,2,0,0,0,0|2,0,0]=4 15287 B16R1.4752 COc1cc(ccc1N(C)CC(O)CO)Cl 2230a_100000061351_100011219619 [0,2,0,0,0,0|1,0,0]=3 15288 B16R1.4752 COc1cc(ccc1N(C)CC(O)CO)Cl 34a_100000061351_100011219619 [0,2,0,0,0,0|1,0,0]=3 15289 B16R1.4752 COc1cc(ccc1N(C)CC(O)CO)F 2230a_100020633920_100011219619 [0,2,0,0,0,0|1,0,0]=3 15290 B16R1.4752 COc1cc(ccc1N(C)CC(O)CO)F 34a_100020633920_100011219619 [0,2,0,0,0,0|1,0,0]=3 15291 B16R1.4752 COc1cc(ccc1N(C)C[C@@H](C)CO)Cl 2230a_100000061351_100000059175 [0,2,0,0,0,0|2,0,0]=4 15292 B16R1.4752 COc1cc(ccc1N(C)C[C@@H](C)CO)Cl 269982a_100000061351_100000059175 [0,2,0,0,0,0|2,0,0]=4 15293 B16R1.4752 COc1cc(ccc1N(C)C[C@@H](C)CO)Cl 34a_100000061351_100000059175 [0,2,0,0,0,0|2,0,0]=4 15294 B16R1.4752 COc1cc(ccc1N(C)C[C@@H](C)CO)F 2230a_100020633920_100000059175 [0,2,0,0,0,0|2,0,0]=4 15295 B16R1.4752 COc1cc(ccc1N(C)C[C@@H](C)CO)F 269982a_100020633920_100000059175 [0,2,0,0,0,0|2,0,0]=4 15296 B16R1.4752 COc1cc(ccc1N(C)C[C@@H](C)CO)F 34a_100020633920_100000059175 [0,2,0,0,0,0|2,0,0]=4 15297 B16R1.4752 COc1cc(ccc1N(C)C[C@@H](C)CO)F 38a_100020633920_100000059175 [0,2,0,0,0,0|2,0,0]=4 15298 B16R1.4752 COc1cc(ccc1N(C)C[C@@H](O)CF)Cl 2230a_100000061351_100015614560 [0,2,0,0,0,0|2,0,0]=4 15299 B16R1.4752 COc1cc(ccc1N(C)C[C@@H](O)CF)Cl 34a_100000061351_100015614560 [0,2,0,0,0,0|2,0,0]=4 15300 B16R1.4752 COc1cc(ccc1N(C)C[C@@H](O)CF)F 2230a_100020633920_100015614560 [0,2,0,0,0,0|2,0,0]=4 15301 B16R1.4752 COc1cc(ccc1N(C)C[C@@H](O)CF)F 34a_100020633920_100015614560 [0,2,0,0,0,0|2,0,0]=4 15302 B16R1.4752 COc1cc(ccc1N(C)C[C@@H](O)CO)Cl 2230a_100000061351_100009815848 [0,2,0,0,0,0|1,0,0]=3 15303 B16R1.4752 COc1cc(ccc1N(C)C[C@@H](O)CO)Cl 34a_100000061351_100009815848 [0,2,0,0,0,0|1,0,0]=3 15304 B16R1.4752 COc1cc(ccc1N(C)C[C@@H](O)CO)F 2230a_100020633920_100009815848 [0,2,0,0,0,0|1,0,0]=3 15305 B16R1.4752 COc1cc(ccc1N(C)C[C@@H](O)CO)F 34a_100020633920_100009815848 [0,2,0,0,0,0|1,0,0]=3 15306 B16R1.18712 CCC(O)CN(CC)c1ccccc1OC 2230a_100020603010_100011218378 [0,2,0,0,0,0|2,0,0]=4 15307 B16R1.18712 CCC(O)CN(CC)c1ccccc1OC 269982a_100020603010_100011218378 [0,2,0,0,0,0|2,0,0]=4 15308 B16R1.18712 CCN(CC(O)CO)c1ccccc1OC 2230a_100020603010_100011219619 [0,2,0,0,0,0|1,0,0]=3 15309 B16R1.18712 CCN(C[C@@H](C)CO)c1ccccc1OC 2230a_100020603010_100000059175 [0,2,0,0,0,0|2,0,0]=4 15310 B16R1.18712 CCN(C[C@@H](C)CO)c1ccccc1OC 269982a_100020603010_100000059175 [0,2,0,0,0,0|2,0,0]=4 15311 B16R1.18712 CCN(C[C@@H](O)CF)c1ccccc1OC 2230a_100020603010_100015614560 [0,2,0,0,0,0|2,0,0]=4 15312 B16R1.18712 CCN(C[C@@H](O)CO)c1ccccc1OC 2230a_100020603010_100009815848 [0,2,0,0,0,0|1,0,0]=3 15313 B16R1.25064 CCC(O)CC(=O)c1cc(ccc1OC)Br 1458a_100000188853_100011218378 [0,2,0,0,0,0|2,0,0]=4 15314 B16R1.25064 CCC(O)CC(=O)c1cc(ccc1OC)C 1458a_100000204667_100011218378 [0,2,0,0,0,0|2,0,0]=4 15315 B16R1.25064 CCC(O)CC(=O)c1cc(ccc1OC)Cl 1458a_100000211409_100011218378 [0,2,0,0,0,0|2,0,0]=4 15316 B16R1.25064 CCC(O)CC(=O)c1cc(ccc1OC)F 1458a_100000735445_100011218378 [0,2,0,0,0,0|2,0,0]=4 15317 B16R1.25064 CCC(O)CC(=O)c1cc(ccc1OC)I 1458a_100000230898_100011218378 [0,2,0,0,0,0|2,0,0]=4 15318 B16R1.25064 CCC(O)CC(=O)c1cc(ccc1OC)O 1458a_200000100057_100011218378 [0,2,0,0,0,0|2,0,0]=4 15319 B16R1.25064 COc1ccc(cc1C(=O)C[C@@H](C)CO)Br 1458a_100000188853_100000059175 [0,2,0,0,0,0|2,0,0]=4 15320 B16R1.25064 COc1ccc(cc1C(=O)C[C@@H](C)CO)C 1458a_100000204667_100000059175 [0,2,0,0,0,0|2,0,0]=4 15321 B16R1.25064 COc1ccc(cc1C(=O)C[C@@H](C)CO)Cl 1458a_100000211409_100000059175 [0,2,0,0,0,0|2,0,0]=4 15322 B16R1.25064 COc1ccc(cc1C(=O)C[C@@H](C)CO)F 1458a_100000735445_100000059175 [0,2,0,0,0,0|2,0,0]=4 15323 B16R1.25064 COc1ccc(cc1C(=O)C[C@@H](C)CO)I 1458a_100000230898_100000059175 [0,2,0,0,0,0|2,0,0]=4 15324 B16R1.25064 COc1ccc(cc1C(=O)C[C@@H](C)CO)O 1458a_200000100057_100000059175 [0,2,0,0,0,0|2,0,0]=4 15325 B16R1.20059 C=CC(O)COc1cc(c(cc1OC)Br)F 34a_100010189133_100000730141 [0,2,0,0,0,0|1,0,1]=4 15326 B16R1.20059 C=CC(O)COc1cc(c(cc1OC)Br)F 7a_100010189133_100000730141 [0,2,0,0,0,0|1,0,1]=4 15327 B16R1.20059 CCC(C)COc1cc(c(cc1OC)Br)F 34a_100010189133_100000748023 [0,2,0,0,0,0|2,0,0]=4 15328 B16R1.20059 CCC(C)COc1cc(c(cc1OC)Br)F 7a_100010189133_100000748023 [0,2,0,0,0,0|2,0,0]=4 15329 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)Br)C 2230a_100010141321_100011218378 [0,2,0,0,0,0|2,0,0]=4 15330 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)Br)C 34a_100010141321_100011218378 [0,2,0,0,0,0|2,0,0]=4 15331 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)Br)Cl 2230a_100010212225_100011218378 [0,2,0,0,0,0|2,0,0]=4 15332 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)Br)Cl 34a_100010212225_100011218378 [0,2,0,0,0,0|2,0,0]=4 15333 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)Br)F 2230a_100012766639_100011218378 [0,2,0,0,0,0|2,0,0]=4 15334 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)Br)F 34a_100012766639_100011218378 [0,2,0,0,0,0|2,0,0]=4 15335 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)C)Cl 2230a_100009868623_100011218378 [0,2,0,0,0,0|2,0,0]=4 15336 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)C)Cl 34a_100009868623_100011218378 [0,2,0,0,0,0|2,0,0]=4 15337 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)Cl)Br 2230a_100010380671_100011218378 [0,2,0,0,0,0|2,0,0]=4 15338 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)Cl)Br 34a_100010380671_100011218378 [0,2,0,0,0,0|2,0,0]=4 15339 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)Cl)C 2230a_100000211396_100011218378 [0,2,0,0,0,0|2,0,0]=4 15340 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)Cl)C 34a_100000211396_100011218378 [0,2,0,0,0,0|2,0,0]=4 15341 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)Cl)I 34a_100011011177_100011218378 [0,2,0,0,0,0|2,0,0]=4 15342 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)F)Br 2230a_100012361397_100011218378 [0,2,0,0,0,0|2,0,0]=4 15343 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)F)Br 34a_100012361397_100011218378 [0,2,0,0,0,0|2,0,0]=4 15344 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)F)Br 7a_100012361397_100011218378 [0,2,0,0,0,0|2,0,0]=4 15345 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)F)Cl 2230a_100012186795_100011218378 [0,2,0,0,0,0|2,0,0]=4 15346 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)F)Cl 34a_100012186795_100011218378 [0,2,0,0,0,0|2,0,0]=4 15347 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)F)F 2230a_100000732608_100011218378 [0,2,0,0,0,0|2,0,0]=4 15348 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)F)F 34a_100000732608_100011218378 [0,2,0,0,0,0|2,0,0]=4 15349 B16R1.20059 CCC(O)CNc1cc(c(cc1OC)F)F 7a_100000732608_100011218378 [0,2,0,0,0,0|2,0,0]=4 15350 B16R1.20059 CCC(O)COc1cc(c(cc1OC)Br)F 34a_100010189133_100011218378 [0,2,0,0,0,0|1,0,0]=3 15351 B16R1.20059 CCC(O)COc1cc(c(cc1OC)Br)F 7a_100010189133_100011218378 [0,2,0,0,0,0|1,0,0]=3 15352 B16R1.20059 CCC(O)CSc1cc(c(cc1OC)C)N 62a_100011218378_106657271712 [0,2,0,0,0,0|1,1,0]=4 15353 B16R1.20059 CCC(O)CSc1cc(c(cc1OC)C)N 62a_106657271712_100011218378 [0,2,0,0,0,0|1,1,0]=4 15354 B16R1.20059 CCC(O)CSc1cc(c(cc1OC)F)C 62a_100010201977_100011218378 [0,2,0,0,0,0|1,1,0]=4 15355 B16R1.20059 CCC(O)CSc1cc(c(cc1OC)F)C 62a_100011218378_100010201977 [0,2,0,0,0,0|1,1,0]=4 15356 B16R1.20059 CCC(O)CSc1cc(c(cc1OC)F)F 62a_100009813744_100011218378 [0,2,0,0,0,0|1,1,0]=4 15357 B16R1.20059 CCC(O)CSc1cc(c(cc1OC)F)F 62a_100011218378_100009813744 [0,2,0,0,0,0|1,1,0]=4 15358 B16R1.20059 CCC(O)CSc1cc(c(cc1OC)N)C 62a_100010232211_100011218378 [0,2,0,0,0,0|1,1,0]=4 15359 B16R1.20059 CCC(O)CSc1cc(c(cc1OC)N)C 62a_100011218378_100010232211 [0,2,0,0,0,0|1,1,0]=4 15360 B16R1.20059 CCC(O)CSc1cc(c(cc1OC)N)N 62a_100012769537_100011218378 [0,2,0,0,0,0|1,1,0]=4 15361 B16R1.20059 CC[C@H](C)COc1cc(c(cc1OC)Br)F 34a_100010189133_100009816398 [0,2,0,0,0,0|2,0,0]=4 15362 B16R1.20059 CC[C@H](C)COc1cc(c(cc1OC)Br)F 7a_100010189133_100009816398 [0,2,0,0,0,0|2,0,0]=4 15363 B16R1.20059 CCc1cc(c(cc1NCC(O)CO)F)F 2230a_200013084838_100011219619 [0,2,0,0,0,0|2,0,0]=4 15364 B16R1.20059 CCc1cc(c(cc1NCC(O)CO)F)F 34a_200013084838_100011219619 [0,2,0,0,0,0|2,0,0]=4 15365 B16R1.20059 CCc1cc(c(cc1NCC(O)CO)F)F 7a_200013084838_100011219619 [0,2,0,0,0,0|2,0,0]=4 15366 B16R1.20059 CCc1cc(c(cc1NC[C@@H](O)CO)F)F 2230a_200013084838_100009815848 [0,2,0,0,0,0|2,0,0]=4 15367 B16R1.20059 CCc1cc(c(cc1NC[C@@H](O)CO)F)F 34a_200013084838_100009815848 [0,2,0,0,0,0|2,0,0]=4 15368 B16R1.20059 CCc1cc(c(cc1NC[C@@H](O)CO)F)F 7a_200013084838_100009815848 [0,2,0,0,0,0|2,0,0]=4 15369 B16R1.20059 CCc1cc(c(cc1SCC(O)CO)F)O 62a_100011156610_100011219619 [0,2,0,0,0,0|1,1,0]=4 15370 B16R1.20059 CCc1cc(c(cc1SCC(O)CO)F)O 62a_100011219619_100011156610 [0,2,0,0,0,0|1,1,0]=4 15371 B16R1.20059 CCc1cc(c(cc1SC[C@@H](O)CO)F)O 62a_100009815848_100011156610 [0,2,0,0,0,0|1,1,0]=4 15372 B16R1.20059 CCc1cc(c(cc1SC[C@@H](O)CO)F)O 62a_100011156610_100009815848 [0,2,0,0,0,0|1,1,0]=4 15373 B16R1.20059 COc1cc(c(cc1NCC(O)CO)Br)Cl 2230a_100010380671_100011219619 [0,2,0,0,0,0|1,0,0]=3 15374 B16R1.20059 COc1cc(c(cc1NCC(O)CO)Br)Cl 34a_100010380671_100011219619 [0,2,0,0,0,0|1,0,0]=3 15375 B16R1.20059 COc1cc(c(cc1NCC(O)CO)Br)F 2230a_100012361397_100011219619 [0,2,0,0,0,0|1,0,0]=3 15376 B16R1.20059 COc1cc(c(cc1NCC(O)CO)Br)F 34a_100012361397_100011219619 [0,2,0,0,0,0|1,0,0]=3 15377 B16R1.20059 COc1cc(c(cc1NCC(O)CO)Br)F 7a_100012361397_100011219619 [0,2,0,0,0,0|1,0,0]=3 15378 B16R1.20059 COc1cc(c(cc1NCC(O)CO)C)Br 2230a_100010141321_100011219619 [0,2,0,0,0,0|1,0,0]=3 15379 B16R1.20059 COc1cc(c(cc1NCC(O)CO)C)Br 34a_100010141321_100011219619 [0,2,0,0,0,0|1,0,0]=3 15380 B16R1.20059 COc1cc(c(cc1NCC(O)CO)C)Cl 2230a_100000211396_100011219619 [0,2,0,0,0,0|1,0,0]=3 15381 B16R1.20059 COc1cc(c(cc1NCC(O)CO)C)Cl 34a_100000211396_100011219619 [0,2,0,0,0,0|1,0,0]=3 15382 B16R1.20059 COc1cc(c(cc1NCC(O)CO)Cl)Br 2230a_100010212225_100011219619 [0,2,0,0,0,0|1,0,0]=3 15383 B16R1.20059 COc1cc(c(cc1NCC(O)CO)Cl)Br 34a_100010212225_100011219619 [0,2,0,0,0,0|1,0,0]=3 15384 B16R1.20059 COc1cc(c(cc1NCC(O)CO)Cl)C 2230a_100009868623_100011219619 [0,2,0,0,0,0|1,0,0]=3 15385 B16R1.20059 COc1cc(c(cc1NCC(O)CO)Cl)C 34a_100009868623_100011219619 [0,2,0,0,0,0|1,0,0]=3 15386 B16R1.20059 COc1cc(c(cc1NCC(O)CO)Cl)F 2230a_100012186795_100011219619 [0,2,0,0,0,0|1,0,0]=3 15387 B16R1.20059 COc1cc(c(cc1NCC(O)CO)Cl)F 34a_100012186795_100011219619 [0,2,0,0,0,0|1,0,0]=3 15388 B16R1.20059 COc1cc(c(cc1NCC(O)CO)F)Br 2230a_100012766639_100011219619 [0,2,0,0,0,0|1,0,0]=3 15389 B16R1.20059 COc1cc(c(cc1NCC(O)CO)F)Br 34a_100012766639_100011219619 [0,2,0,0,0,0|1,0,0]=3 15390 B16R1.20059 COc1cc(c(cc1NCC(O)CO)F)F 2230a_100000732608_100011219619 [0,2,0,0,0,0|1,0,0]=3 15391 B16R1.20059 COc1cc(c(cc1NCC(O)CO)F)F 34a_100000732608_100011219619 [0,2,0,0,0,0|1,0,0]=3 15392 B16R1.20059 COc1cc(c(cc1NCC(O)CO)F)F 7a_100000732608_100011219619 [0,2,0,0,0,0|1,0,0]=3 15393 B16R1.20059 COc1cc(c(cc1NCC(O)CO)I)Cl 34a_100011011177_100011219619 [0,2,0,0,0,0|1,0,0]=3 15394 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)Br)Cl 2230a_100010380671_100000059175 [0,2,0,0,0,0|2,0,0]=4 15395 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)Br)Cl 34a_100010380671_100000059175 [0,2,0,0,0,0|2,0,0]=4 15396 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)Br)F 2230a_100012361397_100000059175 [0,2,0,0,0,0|2,0,0]=4 15397 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)Br)F 34a_100012361397_100000059175 [0,2,0,0,0,0|2,0,0]=4 15398 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)Br)F 7a_100012361397_100000059175 [0,2,0,0,0,0|2,0,0]=4 15399 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)C)Br 2230a_100010141321_100000059175 [0,2,0,0,0,0|2,0,0]=4 15400 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)C)Br 34a_100010141321_100000059175 [0,2,0,0,0,0|2,0,0]=4 15401 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)C)Cl 2230a_100000211396_100000059175 [0,2,0,0,0,0|2,0,0]=4 15402 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)C)Cl 34a_100000211396_100000059175 [0,2,0,0,0,0|2,0,0]=4 15403 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)Cl)Br 2230a_100010212225_100000059175 [0,2,0,0,0,0|2,0,0]=4 15404 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)Cl)Br 34a_100010212225_100000059175 [0,2,0,0,0,0|2,0,0]=4 15405 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)Cl)C 2230a_100009868623_100000059175 [0,2,0,0,0,0|2,0,0]=4 15406 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)Cl)C 34a_100009868623_100000059175 [0,2,0,0,0,0|2,0,0]=4 15407 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)Cl)F 2230a_100012186795_100000059175 [0,2,0,0,0,0|2,0,0]=4 15408 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)Cl)F 34a_100012186795_100000059175 [0,2,0,0,0,0|2,0,0]=4 15409 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)F)Br 2230a_100012766639_100000059175 [0,2,0,0,0,0|2,0,0]=4 15410 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)F)Br 34a_100012766639_100000059175 [0,2,0,0,0,0|2,0,0]=4 15411 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)F)F 2230a_100000732608_100000059175 [0,2,0,0,0,0|2,0,0]=4 15412 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)F)F 34a_100000732608_100000059175 [0,2,0,0,0,0|2,0,0]=4 15413 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)F)F 7a_100000732608_100000059175 [0,2,0,0,0,0|2,0,0]=4 15414 B16R1.20059 COc1cc(c(cc1NC[C@@H](C)CO)I)Cl 34a_100011011177_100000059175 [0,2,0,0,0,0|2,0,0]=4 15415 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)Br)Cl 2230a_100010380671_100015614560 [0,2,0,0,0,0|2,0,0]=4 15416 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)Br)Cl 34a_100010380671_100015614560 [0,2,0,0,0,0|2,0,0]=4 15417 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)Br)F 2230a_100012361397_100015614560 [0,2,0,0,0,0|2,0,0]=4 15418 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)Br)F 34a_100012361397_100015614560 [0,2,0,0,0,0|2,0,0]=4 15419 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)Br)F 7a_100012361397_100015614560 [0,2,0,0,0,0|2,0,0]=4 15420 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)C)Br 2230a_100010141321_100015614560 [0,2,0,0,0,0|2,0,0]=4 15421 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)C)Br 34a_100010141321_100015614560 [0,2,0,0,0,0|2,0,0]=4 15422 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)C)Cl 2230a_100000211396_100015614560 [0,2,0,0,0,0|2,0,0]=4 15423 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)C)Cl 34a_100000211396_100015614560 [0,2,0,0,0,0|2,0,0]=4 15424 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)Cl)Br 2230a_100010212225_100015614560 [0,2,0,0,0,0|2,0,0]=4 15425 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)Cl)Br 34a_100010212225_100015614560 [0,2,0,0,0,0|2,0,0]=4 15426 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)Cl)C 2230a_100009868623_100015614560 [0,2,0,0,0,0|2,0,0]=4 15427 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)Cl)C 34a_100009868623_100015614560 [0,2,0,0,0,0|2,0,0]=4 15428 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)Cl)F 2230a_100012186795_100015614560 [0,2,0,0,0,0|2,0,0]=4 15429 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)Cl)F 34a_100012186795_100015614560 [0,2,0,0,0,0|2,0,0]=4 15430 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)F)Br 2230a_100012766639_100015614560 [0,2,0,0,0,0|2,0,0]=4 15431 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)F)Br 34a_100012766639_100015614560 [0,2,0,0,0,0|2,0,0]=4 15432 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)F)F 2230a_100000732608_100015614560 [0,2,0,0,0,0|2,0,0]=4 15433 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)F)F 34a_100000732608_100015614560 [0,2,0,0,0,0|2,0,0]=4 15434 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)F)F 7a_100000732608_100015614560 [0,2,0,0,0,0|2,0,0]=4 15435 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CF)I)Cl 34a_100011011177_100015614560 [0,2,0,0,0,0|2,0,0]=4 15436 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)Br)Cl 2230a_100010380671_100009815848 [0,2,0,0,0,0|1,0,0]=3 15437 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)Br)Cl 34a_100010380671_100009815848 [0,2,0,0,0,0|1,0,0]=3 15438 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)Br)F 2230a_100012361397_100009815848 [0,2,0,0,0,0|1,0,0]=3 15439 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)Br)F 34a_100012361397_100009815848 [0,2,0,0,0,0|1,0,0]=3 15440 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)Br)F 7a_100012361397_100009815848 [0,2,0,0,0,0|1,0,0]=3 15441 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)C)Br 2230a_100010141321_100009815848 [0,2,0,0,0,0|1,0,0]=3 15442 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)C)Br 34a_100010141321_100009815848 [0,2,0,0,0,0|1,0,0]=3 15443 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)C)Cl 2230a_100000211396_100009815848 [0,2,0,0,0,0|1,0,0]=3 15444 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)C)Cl 34a_100000211396_100009815848 [0,2,0,0,0,0|1,0,0]=3 15445 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)Cl)Br 2230a_100010212225_100009815848 [0,2,0,0,0,0|1,0,0]=3 15446 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)Cl)Br 34a_100010212225_100009815848 [0,2,0,0,0,0|1,0,0]=3 15447 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)Cl)C 2230a_100009868623_100009815848 [0,2,0,0,0,0|1,0,0]=3 15448 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)Cl)C 34a_100009868623_100009815848 [0,2,0,0,0,0|1,0,0]=3 15449 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)Cl)F 2230a_100012186795_100009815848 [0,2,0,0,0,0|1,0,0]=3 15450 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)Cl)F 34a_100012186795_100009815848 [0,2,0,0,0,0|1,0,0]=3 15451 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)F)Br 2230a_100012766639_100009815848 [0,2,0,0,0,0|1,0,0]=3 15452 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)F)Br 34a_100012766639_100009815848 [0,2,0,0,0,0|1,0,0]=3 15453 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)F)F 2230a_100000732608_100009815848 [0,2,0,0,0,0|1,0,0]=3 15454 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)F)F 34a_100000732608_100009815848 [0,2,0,0,0,0|1,0,0]=3 15455 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)F)F 7a_100000732608_100009815848 [0,2,0,0,0,0|1,0,0]=3 15456 B16R1.20059 COc1cc(c(cc1NC[C@@H](O)CO)I)Cl 34a_100011011177_100009815848 [0,2,0,0,0,0|1,0,0]=3 15457 B16R1.20059 COc1cc(c(cc1OCC(O)CO)F)Br 34a_100010189133_100011219619 [0,2,0,0,0,0|0,0,0]=2 15458 B16R1.20059 COc1cc(c(cc1OCC(O)CO)F)Br 7a_100010189133_100011219619 [0,2,0,0,0,0|0,0,0]=2 15459 B16R1.20059 COc1cc(c(cc1OC[C@@H](C)CO)F)Br 34a_100010189133_100000059175 [0,2,0,0,0,0|1,0,0]=3 15460 B16R1.20059 COc1cc(c(cc1OC[C@@H](C)CO)F)Br 7a_100010189133_100000059175 [0,2,0,0,0,0|1,0,0]=3 15461 B16R1.20059 COc1cc(c(cc1OC[C@@H](O)CF)F)Br 34a_100010189133_100015614560 [0,2,0,0,0,0|1,0,0]=3 15462 B16R1.20059 COc1cc(c(cc1OC[C@@H](O)CF)F)Br 7a_100010189133_100015614560 [0,2,0,0,0,0|1,0,0]=3 15463 B16R1.20059 COc1cc(c(cc1OC[C@@H](O)CO)F)Br 34a_100010189133_100009815848 [0,2,0,0,0,0|0,0,0]=2 15464 B16R1.20059 COc1cc(c(cc1OC[C@@H](O)CO)F)Br 7a_100010189133_100009815848 [0,2,0,0,0,0|0,0,0]=2 15465 B16R1.20059 COc1cc(c(cc1SCC(O)CO)C)F 62a_100010201977_100011219619 [0,2,0,0,0,0|0,1,0]=3 15466 B16R1.20059 COc1cc(c(cc1SCC(O)CO)C)F 62a_100011219619_100010201977 [0,2,0,0,0,0|0,1,0]=3 15467 B16R1.20059 COc1cc(c(cc1SCC(O)CO)C)N 62a_100010232211_100011219619 [0,2,0,0,0,0|0,1,0]=3 15468 B16R1.20059 COc1cc(c(cc1SCC(O)CO)C)N 62a_100011219619_100010232211 [0,2,0,0,0,0|0,1,0]=3 15469 B16R1.20059 COc1cc(c(cc1SCC(O)CO)F)F 62a_100009813744_100011219619 [0,2,0,0,0,0|0,1,0]=3 15470 B16R1.20059 COc1cc(c(cc1SCC(O)CO)F)F 62a_100011219619_100009813744 [0,2,0,0,0,0|0,1,0]=3 15471 B16R1.20059 COc1cc(c(cc1SCC(O)CO)N)C 62a_100011219619_106657271712 [0,2,0,0,0,0|0,1,0]=3 15472 B16R1.20059 COc1cc(c(cc1SCC(O)CO)N)C 62a_106657271712_100011219619 [0,2,0,0,0,0|0,1,0]=3 15473 B16R1.20059 COc1cc(c(cc1SCC(O)CO)N)N 62a_100012769537_100011219619 [0,2,0,0,0,0|0,1,0]=3 15474 B16R1.20059 COc1cc(c(cc1SC[C@@H](C)CO)C)F 62a_100000059175_100010201977 [0,2,0,0,0,0|1,1,0]=4 15475 B16R1.20059 COc1cc(c(cc1SC[C@@H](C)CO)C)F 62a_100010201977_100000059175 [0,2,0,0,0,0|1,1,0]=4 15476 B16R1.20059 COc1cc(c(cc1SC[C@@H](C)CO)C)N 62a_100000059175_100010232211 [0,2,0,0,0,0|1,1,0]=4 15477 B16R1.20059 COc1cc(c(cc1SC[C@@H](C)CO)C)N 62a_100010232211_100000059175 [0,2,0,0,0,0|1,1,0]=4 15478 B16R1.20059 COc1cc(c(cc1SC[C@@H](C)CO)F)F 62a_100000059175_100009813744 [0,2,0,0,0,0|1,1,0]=4 15479 B16R1.20059 COc1cc(c(cc1SC[C@@H](C)CO)F)F 62a_100009813744_100000059175 [0,2,0,0,0,0|1,1,0]=4 15480 B16R1.20059 COc1cc(c(cc1SC[C@@H](C)CO)N)C 62a_100000059175_106657271712 [0,2,0,0,0,0|1,1,0]=4 15481 B16R1.20059 COc1cc(c(cc1SC[C@@H](C)CO)N)C 62a_106657271712_100000059175 [0,2,0,0,0,0|1,1,0]=4 15482 B16R1.20059 COc1cc(c(cc1SC[C@@H](C)CO)N)N 62a_100012769537_100000059175 [0,2,0,0,0,0|1,1,0]=4 15483 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CF)C)F 62a_100010201977_100015614560 [0,2,0,0,0,0|1,1,0]=4 15484 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CF)C)F 62a_100015614560_100010201977 [0,2,0,0,0,0|1,1,0]=4 15485 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CF)C)N 62a_100010232211_100015614560 [0,2,0,0,0,0|1,1,0]=4 15486 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CF)C)N 62a_100015614560_100010232211 [0,2,0,0,0,0|1,1,0]=4 15487 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CF)F)F 62a_100009813744_100015614560 [0,2,0,0,0,0|1,1,0]=4 15488 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CF)F)F 62a_100015614560_100009813744 [0,2,0,0,0,0|1,1,0]=4 15489 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CF)N)C 62a_100015614560_106657271712 [0,2,0,0,0,0|1,1,0]=4 15490 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CF)N)C 62a_106657271712_100015614560 [0,2,0,0,0,0|1,1,0]=4 15491 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CF)N)N 62a_100012769537_100015614560 [0,2,0,0,0,0|1,1,0]=4 15492 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CO)C)F 62a_100009815848_100010201977 [0,2,0,0,0,0|0,1,0]=3 15493 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CO)C)F 62a_100010201977_100009815848 [0,2,0,0,0,0|0,1,0]=3 15494 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CO)C)N 62a_100009815848_100010232211 [0,2,0,0,0,0|0,1,0]=3 15495 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CO)C)N 62a_100010232211_100009815848 [0,2,0,0,0,0|0,1,0]=3 15496 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CO)F)F 62a_100009813744_100009815848 [0,2,0,0,0,0|0,1,0]=3 15497 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CO)F)F 62a_100009815848_100009813744 [0,2,0,0,0,0|0,1,0]=3 15498 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CO)N)C 62a_100009815848_106657271712 [0,2,0,0,0,0|0,1,0]=3 15499 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CO)N)C 62a_106657271712_100009815848 [0,2,0,0,0,0|0,1,0]=3 15500 B16R1.20059 COc1cc(c(cc1SC[C@@H](O)CO)N)N 62a_100012769537_100009815848 [0,2,0,0,0,0|0,1,0]=3 15501 B16R1.20059 N#Cc1cc(c(cc1OCC(O)CO)Br)F 34a_200010827376_100011219619 [0,2,0,0,0,0|2,0,0]=4 15502 B16R1.20059 N#Cc1cc(c(cc1OCC(O)CO)Br)F 7a_200010827376_100011219619 [0,2,0,0,0,0|2,0,0]=4 15503 B16R1.20059 N#Cc1cc(c(cc1OCC(O)CO)F)Cl 34a_200014338297_100011219619 [0,2,0,0,0,0|2,0,0]=4 15504 B16R1.20059 N#Cc1cc(c(cc1OCC(O)CO)F)Cl 7a_200014338297_100011219619 [0,2,0,0,0,0|2,0,0]=4 15505 B16R1.20059 N#Cc1cc(c(cc1OCC(O)CO)F)F 34a_100000062209_100011219619 [0,2,0,0,0,0|2,0,0]=4 15506 B16R1.20059 N#Cc1cc(c(cc1OCC(O)CO)F)F 7a_100000062209_100011219619 [0,2,0,0,0,0|2,0,0]=4 15507 B16R1.20059 N#Cc1cc(c(cc1OC[C@@H](O)CO)Br)F 34a_200010827376_100009815848 [0,2,0,0,0,0|2,0,0]=4 15508 B16R1.20059 N#Cc1cc(c(cc1OC[C@@H](O)CO)Br)F 7a_200010827376_100009815848 [0,2,0,0,0,0|2,0,0]=4 15509 B16R1.20059 N#Cc1cc(c(cc1OC[C@@H](O)CO)F)Cl 34a_200014338297_100009815848 [0,2,0,0,0,0|2,0,0]=4 15510 B16R1.20059 N#Cc1cc(c(cc1OC[C@@H](O)CO)F)Cl 7a_200014338297_100009815848 [0,2,0,0,0,0|2,0,0]=4 15511 B16R1.20059 N#Cc1cc(c(cc1OC[C@@H](O)CO)F)F 34a_100000062209_100009815848 [0,2,0,0,0,0|2,0,0]=4 15512 B16R1.20059 N#Cc1cc(c(cc1OC[C@@H](O)CO)F)F 7a_100000062209_100009815848 [0,2,0,0,0,0|2,0,0]=4 15513 B16R1.20156 C=CC(O)COc1cc(ccc1OC)C#N 34a_100000188611_100000730141 [0,2,0,0,0,0|1,0,1]=4 15514 B16R1.20156 C=CC(O)COc1cc(ccc1OC)C#N 7a_100000188611_100000730141 [0,2,0,0,0,0|1,0,1]=4 15515 B16R1.20156 C=CC(O)COc1cc(ccc1OC)CC 34a_100009844796_100000730141 [0,2,0,0,0,0|1,0,1]=4 15516 B16R1.20156 C=CC(O)COc1cc(ccc1OC)CC 7a_100009844796_100000730141 [0,2,0,0,0,0|1,0,1]=4 15517 B16R1.20156 C=CC(O)COc1cc(ccc1OC)CN 34a_100000740000_100000730141 [0,2,0,0,0,0|1,0,1]=4 15518 B16R1.20156 C=CC(O)COc1cc(ccc1OC)CO 34a_100011215239_100000730141 [0,2,0,0,0,0|1,0,1]=4 15519 B16R1.20156 C=CC(O)COc1cc(ccc1OC)OC 34a_100000074795_100000730141 [0,2,0,0,0,0|1,0,1]=4 15520 B16R1.20156 CCC(C)COc1cc(ccc1OC)C#N 34a_100000188611_100000748023 [0,2,0,0,0,0|2,0,0]=4 15521 B16R1.20156 CCC(C)COc1cc(ccc1OC)C#N 7a_100000188611_100000748023 [0,2,0,0,0,0|2,0,0]=4 15522 B16R1.20156 CCC(C)COc1cc(ccc1OC)CN 34a_100000740000_100000748023 [0,2,0,0,0,0|2,0,0]=4 15523 B16R1.20156 CCC(C)COc1cc(ccc1OC)CO 34a_100011215239_100000748023 [0,2,0,0,0,0|2,0,0]=4 15524 B16R1.20156 CCC(C)COc1cc(ccc1OC)OC 34a_100000074795_100000748023 [0,2,0,0,0,0|2,0,0]=4 15525 B16R1.20156 CCC(O)CNc1cc(ccc1OC)C#N 34a_100000747721_100011218378 [0,2,0,0,0,0|2,0,0]=4 15526 B16R1.20156 CCC(O)CNc1cc(ccc1OC)C#N 7a_100000747721_100011218378 [0,2,0,0,0,0|2,0,0]=4 15527 B16R1.20156 CCC(O)CNc1cc(ccc1OC)CO 2230a_100011269841_100011218378 [0,2,0,0,0,0|2,0,0]=4 15528 B16R1.20156 CCC(O)CNc1cc(ccc1OC)CO 34a_100011269841_100011218378 [0,2,0,0,0,0|2,0,0]=4 15529 B16R1.20156 CCC(O)CNc1cc(ccc1OC)OC 2230a_100000184736_100011218378 [0,2,0,0,0,0|2,0,0]=4 15530 B16R1.20156 CCC(O)CNc1cc(ccc1OC)OC 34a_100000184736_100011218378 [0,2,0,0,0,0|2,0,0]=4 15531 B16R1.20156 CCC(O)COc1cc(ccc1OC)C#N 34a_100000188611_100011218378 [0,2,0,0,0,0|1,0,0]=3 15532 B16R1.20156 CCC(O)COc1cc(ccc1OC)C#N 7a_100000188611_100011218378 [0,2,0,0,0,0|1,0,0]=3 15533 B16R1.20156 CCC(O)COc1cc(ccc1OC)CN 34a_100000740000_100011218378 [0,2,0,0,0,0|1,0,0]=3 15534 B16R1.20156 CCC(O)COc1cc(ccc1OC)CO 34a_100011215239_100011218378 [0,2,0,0,0,0|1,0,0]=3 15535 B16R1.20156 CCC(O)COc1cc(ccc1OC)OC 34a_100000074795_100011218378 [0,2,0,0,0,0|1,0,0]=3 15536 B16R1.20156 CCC(O)CSc1cc(ccc1OC)C#N 62a_100011218378_100000188253 [0,2,0,0,0,0|1,1,0]=4 15537 B16R1.20156 CCC(O)CSc1cc(ccc1OC)C=O 62a_100000173361_100011218378 [0,2,0,0,0,0|1,1,0]=4 15538 B16R1.20156 CCC(O)CSc1cc(ccc1OC)C=O 62a_100011218378_100000173361 [0,2,0,0,0,0|1,1,0]=4 15539 B16R1.20156 CCC(O)CSc1cc(ccc1OC)CN 62a_100011218378_100159240714 [0,2,0,0,0,0|1,1,0]=4 15540 B16R1.20156 CCC(O)CSc1cc(ccc1OC)CN 62a_100159240714_100011218378 [0,2,0,0,0,0|1,1,0]=4 15541 B16R1.20156 CCC(O)CSc1cc(ccc1OC)CO 62a_100000246451_100011218378 [0,2,0,0,0,0|1,1,0]=4 15542 B16R1.20156 CCC(O)CSc1cc(ccc1OC)CO 62a_100011218378_100000246451 [0,2,0,0,0,0|1,1,0]=4 15543 B16R1.20156 CCC(O)CSc1cc(ccc1OC)NC 62a_100011218378_114948341033 [0,2,0,0,0,0|1,1,0]=4 15544 B16R1.20156 CCC(O)CSc1cc(ccc1OC)NC 62a_114948341033_100011218378 [0,2,0,0,0,0|1,1,0]=4 15545 B16R1.20156 CCC(O)CSc1cc(ccc1OC)OC 62a_100011215452_100011218378 [0,2,0,0,0,0|1,1,0]=4 15546 B16R1.20156 CCC(O)CSc1cc(ccc1OC)OC 62a_100011218378_100011215452 [0,2,0,0,0,0|1,1,0]=4 15547 B16R1.20156 CC[C@H](C)COc1cc(ccc1OC)C#N 34a_100000188611_100009816398 [0,2,0,0,0,0|2,0,0]=4 15548 B16R1.20156 CC[C@H](C)COc1cc(ccc1OC)C#N 7a_100000188611_100009816398 [0,2,0,0,0,0|2,0,0]=4 15549 B16R1.20156 CC[C@H](C)COc1cc(ccc1OC)CN 34a_100000740000_100009816398 [0,2,0,0,0,0|2,0,0]=4 15550 B16R1.20156 CC[C@H](C)COc1cc(ccc1OC)CO 34a_100011215239_100009816398 [0,2,0,0,0,0|2,0,0]=4 15551 B16R1.20156 CC[C@H](C)COc1cc(ccc1OC)OC 34a_100000074795_100009816398 [0,2,0,0,0,0|2,0,0]=4 15552 B16R1.20156 CCc1ccc(c(c1)NCC(O)CC)OC 2230a_100012035449_100011218378 [0,2,0,0,0,0|2,0,0]=4 15553 B16R1.20156 CCc1ccc(c(c1)NCC(O)CC)OC 34a_100012035449_100011218378 [0,2,0,0,0,0|2,0,0]=4 15554 B16R1.20156 CCc1ccc(c(c1)NCC(O)CO)OC 2230a_100012035449_100011219619 [0,2,0,0,0,0|1,0,0]=3 15555 B16R1.20156 CCc1ccc(c(c1)NCC(O)CO)OC 34a_100012035449_100011219619 [0,2,0,0,0,0|1,0,0]=3 15556 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](C)CO)OC 2230a_100012035449_100000059175 [0,2,0,0,0,0|2,0,0]=4 15557 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](C)CO)OC 34a_100012035449_100000059175 [0,2,0,0,0,0|2,0,0]=4 15558 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](O)CF)OC 2230a_100012035449_100015614560 [0,2,0,0,0,0|2,0,0]=4 15559 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](O)CF)OC 34a_100012035449_100015614560 [0,2,0,0,0,0|2,0,0]=4 15560 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](O)CO)OC 2230a_100012035449_100009815848 [0,2,0,0,0,0|1,0,0]=3 15561 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](O)CO)OC 34a_100012035449_100009815848 [0,2,0,0,0,0|1,0,0]=3 15562 B16R1.20156 CCc1ccc(c(c1)OCC(C)CC)OC 34a_100009844796_100000748023 [0,2,0,0,0,0|2,0,0]=4 15563 B16R1.20156 CCc1ccc(c(c1)OCC(C)CC)OC 7a_100009844796_100000748023 [0,2,0,0,0,0|2,0,0]=4 15564 B16R1.20156 CCc1ccc(c(c1)OCC(O)CC)OC 34a_100009844796_100011218378 [0,2,0,0,0,0|1,0,0]=3 15565 B16R1.20156 CCc1ccc(c(c1)OCC(O)CC)OC 7a_100009844796_100011218378 [0,2,0,0,0,0|1,0,0]=3 15566 B16R1.20156 CCc1ccc(c(c1)OCC(O)CO)OC 34a_100009844796_100011219619 [0,2,0,0,0,0|0,0,0]=2 15567 B16R1.20156 CCc1ccc(c(c1)OCC(O)CO)OC 7a_100009844796_100011219619 [0,2,0,0,0,0|0,0,0]=2 15568 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](C)CC)OC 34a_100009844796_100009816398 [0,2,0,0,0,0|2,0,0]=4 15569 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](C)CC)OC 7a_100009844796_100009816398 [0,2,0,0,0,0|2,0,0]=4 15570 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](C)CO)OC 34a_100009844796_100000059175 [0,2,0,0,0,0|1,0,0]=3 15571 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](C)CO)OC 7a_100009844796_100000059175 [0,2,0,0,0,0|1,0,0]=3 15572 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](O)CF)OC 34a_100009844796_100015614560 [0,2,0,0,0,0|1,0,0]=3 15573 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](O)CF)OC 7a_100009844796_100015614560 [0,2,0,0,0,0|1,0,0]=3 15574 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](O)CO)OC 34a_100009844796_100009815848 [0,2,0,0,0,0|0,0,0]=2 15575 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](O)CO)OC 7a_100009844796_100009815848 [0,2,0,0,0,0|0,0,0]=2 15576 B16R1.20156 CCc1ccc(c(c1)SCC(O)CC)OC 62a_100010062400_100011218378 [0,2,0,0,0,0|1,1,0]=4 15577 B16R1.20156 CCc1ccc(c(c1)SCC(O)CC)OC 62a_100011218378_100010062400 [0,2,0,0,0,0|1,1,0]=4 15578 B16R1.20156 CCc1ccc(c(c1)SCC(O)CO)OC 62a_100010062400_100011219619 [0,2,0,0,0,0|0,1,0]=3 15579 B16R1.20156 CCc1ccc(c(c1)SCC(O)CO)OC 62a_100011219619_100010062400 [0,2,0,0,0,0|0,1,0]=3 15580 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](C)CO)OC 62a_100000059175_100010062400 [0,2,0,0,0,0|1,1,0]=4 15581 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](C)CO)OC 62a_100010062400_100000059175 [0,2,0,0,0,0|1,1,0]=4 15582 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_100010062400_100015614560 [0,2,0,0,0,0|1,1,0]=4 15583 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_100015614560_100010062400 [0,2,0,0,0,0|1,1,0]=4 15584 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_100009815848_100010062400 [0,2,0,0,0,0|0,1,0]=3 15585 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_100010062400_100009815848 [0,2,0,0,0,0|0,1,0]=3 15586 B16R1.20156 CNc1ccc(c(c1)SCC(O)CO)OC 62a_100011219619_114948341033 [0,2,0,0,0,0|0,1,0]=3 15587 B16R1.20156 CNc1ccc(c(c1)SCC(O)CO)OC 62a_114948341033_100011219619 [0,2,0,0,0,0|0,1,0]=3 15588 B16R1.20156 CNc1ccc(c(c1)SC[C@@H](C)CO)OC 62a_100000059175_114948341033 [0,2,0,0,0,0|1,1,0]=4 15589 B16R1.20156 CNc1ccc(c(c1)SC[C@@H](C)CO)OC 62a_114948341033_100000059175 [0,2,0,0,0,0|1,1,0]=4 15590 B16R1.20156 CNc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_100015614560_114948341033 [0,2,0,0,0,0|1,1,0]=4 15591 B16R1.20156 CNc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_114948341033_100015614560 [0,2,0,0,0,0|1,1,0]=4 15592 B16R1.20156 CNc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_100009815848_114948341033 [0,2,0,0,0,0|0,1,0]=3 15593 B16R1.20156 CNc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_114948341033_100009815848 [0,2,0,0,0,0|0,1,0]=3 15594 B16R1.20156 CNc1ccc(cc1SCC(O)CO)C#N 62a_100011219619_200020994358 [0,2,0,0,0,0|1,1,0]=4 15595 B16R1.20156 CNc1ccc(cc1SCC(O)CO)C=O 62a_100011219619_200010290468 [0,2,0,0,0,0|1,1,0]=4 15596 B16R1.20156 CNc1ccc(cc1SCC(O)CO)C=O 62a_200010290468_100011219619 [0,2,0,0,0,0|1,1,0]=4 15597 B16R1.20156 CNc1ccc(cc1SC[C@@H](O)CO)C#N 62a_100009815848_200020994358 [0,2,0,0,0,0|1,1,0]=4 15598 B16R1.20156 CNc1ccc(cc1SC[C@@H](O)CO)C=O 62a_100009815848_200010290468 [0,2,0,0,0,0|1,1,0]=4 15599 B16R1.20156 CNc1ccc(cc1SC[C@@H](O)CO)C=O 62a_200010290468_100009815848 [0,2,0,0,0,0|1,1,0]=4 15600 B16R1.20156 COc1cc(c(nn1)OC)OCC(O)CO 34a_200010760773_100011219619 [0,2,0,0,0,0|2,0,0]=4 15601 B16R1.20156 COc1cc(c(nn1)OC)OC[C@@H](O)CO 34a_200010760773_100009815848 [0,2,0,0,0,0|2,0,0]=4 15602 B16R1.20156 COc1ccc(c(c1)NCC(O)CO)OC 2230a_100000184736_100011219619 [0,2,0,0,0,0|1,0,0]=3 15603 B16R1.20156 COc1ccc(c(c1)NCC(O)CO)OC 34a_100000184736_100011219619 [0,2,0,0,0,0|1,0,0]=3 15604 B16R1.20156 COc1ccc(c(c1)NC[C@@H](C)CO)OC 2230a_100000184736_100000059175 [0,2,0,0,0,0|2,0,0]=4 15605 B16R1.20156 COc1ccc(c(c1)NC[C@@H](C)CO)OC 34a_100000184736_100000059175 [0,2,0,0,0,0|2,0,0]=4 15606 B16R1.20156 COc1ccc(c(c1)NC[C@@H](O)CF)OC 2230a_100000184736_100015614560 [0,2,0,0,0,0|2,0,0]=4 15607 B16R1.20156 COc1ccc(c(c1)NC[C@@H](O)CF)OC 34a_100000184736_100015614560 [0,2,0,0,0,0|2,0,0]=4 15608 B16R1.20156 COc1ccc(c(c1)NC[C@@H](O)CO)OC 2230a_100000184736_100009815848 [0,2,0,0,0,0|1,0,0]=3 15609 B16R1.20156 COc1ccc(c(c1)NC[C@@H](O)CO)OC 34a_100000184736_100009815848 [0,2,0,0,0,0|1,0,0]=3 15610 B16R1.20156 COc1ccc(c(c1)OCC(O)CO)C#N 34a_100011999188_100011219619 [0,2,0,0,0,0|2,0,0]=4 15611 B16R1.20156 COc1ccc(c(c1)OCC(O)CO)C#N 7a_100011999188_100011219619 [0,2,0,0,0,0|2,0,0]=4 15612 B16R1.20156 COc1ccc(c(c1)OCC(O)CO)N=O 34a_200010658452_100011219619 [0,2,0,0,0,0|2,0,0]=4 15613 B16R1.20156 COc1ccc(c(c1)OCC(O)CO)N=O 7a_200010658452_100011219619 [0,2,0,0,0,0|2,0,0]=4 15614 B16R1.20156 COc1ccc(c(c1)OCC(O)CO)OC 34a_100000074795_100011219619 [0,2,0,0,0,0|0,0,0]=2 15615 B16R1.20156 COc1ccc(c(c1)OC[C@@H](C)CO)OC 34a_100000074795_100000059175 [0,2,0,0,0,0|1,0,0]=3 15616 B16R1.20156 COc1ccc(c(c1)OC[C@@H](O)CF)OC 34a_100000074795_100015614560 [0,2,0,0,0,0|1,0,0]=3 15617 B16R1.20156 COc1ccc(c(c1)OC[C@@H](O)CO)C#N 34a_100011999188_100009815848 [0,2,0,0,0,0|2,0,0]=4 15618 B16R1.20156 COc1ccc(c(c1)OC[C@@H](O)CO)C#N 7a_100011999188_100009815848 [0,2,0,0,0,0|2,0,0]=4 15619 B16R1.20156 COc1ccc(c(c1)OC[C@@H](O)CO)N=O 34a_200010658452_100009815848 [0,2,0,0,0,0|2,0,0]=4 15620 B16R1.20156 COc1ccc(c(c1)OC[C@@H](O)CO)N=O 7a_200010658452_100009815848 [0,2,0,0,0,0|2,0,0]=4 15621 B16R1.20156 COc1ccc(c(c1)OC[C@@H](O)CO)OC 34a_100000074795_100009815848 [0,2,0,0,0,0|0,0,0]=2 15622 B16R1.20156 COc1ccc(c(c1)SCC(O)CO)OC 62a_100011215452_100011219619 [0,2,0,0,0,0|0,1,0]=3 15623 B16R1.20156 COc1ccc(c(c1)SCC(O)CO)OC 62a_100011219619_100011215452 [0,2,0,0,0,0|0,1,0]=3 15624 B16R1.20156 COc1ccc(c(c1)SC[C@@H](C)CO)OC 62a_100000059175_100011215452 [0,2,0,0,0,0|1,1,0]=4 15625 B16R1.20156 COc1ccc(c(c1)SC[C@@H](C)CO)OC 62a_100011215452_100000059175 [0,2,0,0,0,0|1,1,0]=4 15626 B16R1.20156 COc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_100011215452_100015614560 [0,2,0,0,0,0|1,1,0]=4 15627 B16R1.20156 COc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_100015614560_100011215452 [0,2,0,0,0,0|1,1,0]=4 15628 B16R1.20156 COc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_100009815848_100011215452 [0,2,0,0,0,0|0,1,0]=3 15629 B16R1.20156 COc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_100011215452_100009815848 [0,2,0,0,0,0|0,1,0]=3 15630 B16R1.20156 COc1ccc(cc1NCC(O)CO)C#N 34a_100000747721_100011219619 [0,2,0,0,0,0|1,0,0]=3 15631 B16R1.20156 COc1ccc(cc1NCC(O)CO)C#N 7a_100000747721_100011219619 [0,2,0,0,0,0|1,0,0]=3 15632 B16R1.20156 COc1ccc(cc1NCC(O)CO)CO 2230a_100011269841_100011219619 [0,2,0,0,0,0|1,0,0]=3 15633 B16R1.20156 COc1ccc(cc1NCC(O)CO)CO 34a_100011269841_100011219619 [0,2,0,0,0,0|1,0,0]=3 15634 B16R1.20156 COc1ccc(cc1NC[C@@H](C)CO)C#N 34a_100000747721_100000059175 [0,2,0,0,0,0|2,0,0]=4 15635 B16R1.20156 COc1ccc(cc1NC[C@@H](C)CO)C#N 7a_100000747721_100000059175 [0,2,0,0,0,0|2,0,0]=4 15636 B16R1.20156 COc1ccc(cc1NC[C@@H](C)CO)CO 2230a_100011269841_100000059175 [0,2,0,0,0,0|2,0,0]=4 15637 B16R1.20156 COc1ccc(cc1NC[C@@H](C)CO)CO 34a_100011269841_100000059175 [0,2,0,0,0,0|2,0,0]=4 15638 B16R1.20156 COc1ccc(cc1NC[C@@H](O)CF)C#N 34a_100000747721_100015614560 [0,2,0,0,0,0|2,0,0]=4 15639 B16R1.20156 COc1ccc(cc1NC[C@@H](O)CF)C#N 7a_100000747721_100015614560 [0,2,0,0,0,0|2,0,0]=4 15640 B16R1.20156 COc1ccc(cc1NC[C@@H](O)CF)CO 2230a_100011269841_100015614560 [0,2,0,0,0,0|2,0,0]=4 15641 B16R1.20156 COc1ccc(cc1NC[C@@H](O)CF)CO 34a_100011269841_100015614560 [0,2,0,0,0,0|2,0,0]=4 15642 B16R1.20156 COc1ccc(cc1NC[C@@H](O)CO)C#N 34a_100000747721_100009815848 [0,2,0,0,0,0|1,0,0]=3 15643 B16R1.20156 COc1ccc(cc1NC[C@@H](O)CO)C#N 7a_100000747721_100009815848 [0,2,0,0,0,0|1,0,0]=3 15644 B16R1.20156 COc1ccc(cc1NC[C@@H](O)CO)CO 2230a_100011269841_100009815848 [0,2,0,0,0,0|1,0,0]=3 15645 B16R1.20156 COc1ccc(cc1NC[C@@H](O)CO)CO 34a_100011269841_100009815848 [0,2,0,0,0,0|1,0,0]=3 15646 B16R1.20156 COc1ccc(cc1OCC(O)CO)C#N 34a_100000188611_100011219619 [0,2,0,0,0,0|0,0,0]=2 15647 B16R1.20156 COc1ccc(cc1OCC(O)CO)C#N 7a_100000188611_100011219619 [0,2,0,0,0,0|0,0,0]=2 15648 B16R1.20156 COc1ccc(cc1OCC(O)CO)CN 34a_100000740000_100011219619 [0,2,0,0,0,0|0,0,0]=2 15649 B16R1.20156 COc1ccc(cc1OCC(O)CO)CO 34a_100011215239_100011219619 [0,2,0,0,0,0|0,0,0]=2 15650 B16R1.20156 COc1ccc(cc1OC[C@@H](C)CO)C#N 34a_100000188611_100000059175 [0,2,0,0,0,0|1,0,0]=3 15651 B16R1.20156 COc1ccc(cc1OC[C@@H](C)CO)C#N 7a_100000188611_100000059175 [0,2,0,0,0,0|1,0,0]=3 15652 B16R1.20156 COc1ccc(cc1OC[C@@H](C)CO)CN 34a_100000740000_100000059175 [0,2,0,0,0,0|1,0,0]=3 15653 B16R1.20156 COc1ccc(cc1OC[C@@H](C)CO)CO 34a_100011215239_100000059175 [0,2,0,0,0,0|1,0,0]=3 15654 B16R1.20156 COc1ccc(cc1OC[C@@H](O)CF)C#N 34a_100000188611_100015614560 [0,2,0,0,0,0|1,0,0]=3 15655 B16R1.20156 COc1ccc(cc1OC[C@@H](O)CF)C#N 7a_100000188611_100015614560 [0,2,0,0,0,0|1,0,0]=3 15656 B16R1.20156 COc1ccc(cc1OC[C@@H](O)CF)CN 34a_100000740000_100015614560 [0,2,0,0,0,0|1,0,0]=3 15657 B16R1.20156 COc1ccc(cc1OC[C@@H](O)CF)CO 34a_100011215239_100015614560 [0,2,0,0,0,0|1,0,0]=3 15658 B16R1.20156 COc1ccc(cc1OC[C@@H](O)CO)C#N 34a_100000188611_100009815848 [0,2,0,0,0,0|0,0,0]=2 15659 B16R1.20156 COc1ccc(cc1OC[C@@H](O)CO)C#N 7a_100000188611_100009815848 [0,2,0,0,0,0|0,0,0]=2 15660 B16R1.20156 COc1ccc(cc1OC[C@@H](O)CO)CN 34a_100000740000_100009815848 [0,2,0,0,0,0|0,0,0]=2 15661 B16R1.20156 COc1ccc(cc1OC[C@@H](O)CO)CO 34a_100011215239_100009815848 [0,2,0,0,0,0|0,0,0]=2 15662 B16R1.20156 COc1ccc(cc1SCC(O)CO)C#N 62a_100011219619_100000188253 [0,2,0,0,0,0|0,1,0]=3 15663 B16R1.20156 COc1ccc(cc1SCC(O)CO)C=O 62a_100000173361_100011219619 [0,2,0,0,0,0|0,1,0]=3 15664 B16R1.20156 COc1ccc(cc1SCC(O)CO)C=O 62a_100011219619_100000173361 [0,2,0,0,0,0|0,1,0]=3 15665 B16R1.20156 COc1ccc(cc1SCC(O)CO)CN 62a_100011219619_100159240714 [0,2,0,0,0,0|0,1,0]=3 15666 B16R1.20156 COc1ccc(cc1SCC(O)CO)CN 62a_100159240714_100011219619 [0,2,0,0,0,0|0,1,0]=3 15667 B16R1.20156 COc1ccc(cc1SCC(O)CO)CO 62a_100000246451_100011219619 [0,2,0,0,0,0|0,1,0]=3 15668 B16R1.20156 COc1ccc(cc1SCC(O)CO)CO 62a_100011219619_100000246451 [0,2,0,0,0,0|0,1,0]=3 15669 B16R1.20156 COc1ccc(cc1SC[C@@H](C)CO)C#N 62a_100000059175_100000188253 [0,2,0,0,0,0|1,1,0]=4 15670 B16R1.20156 COc1ccc(cc1SC[C@@H](C)CO)C=O 62a_100000059175_100000173361 [0,2,0,0,0,0|1,1,0]=4 15671 B16R1.20156 COc1ccc(cc1SC[C@@H](C)CO)C=O 62a_100000173361_100000059175 [0,2,0,0,0,0|1,1,0]=4 15672 B16R1.20156 COc1ccc(cc1SC[C@@H](C)CO)CN 62a_100000059175_100159240714 [0,2,0,0,0,0|1,1,0]=4 15673 B16R1.20156 COc1ccc(cc1SC[C@@H](C)CO)CN 62a_100159240714_100000059175 [0,2,0,0,0,0|1,1,0]=4 15674 B16R1.20156 COc1ccc(cc1SC[C@@H](C)CO)CO 62a_100000059175_100000246451 [0,2,0,0,0,0|1,1,0]=4 15675 B16R1.20156 COc1ccc(cc1SC[C@@H](C)CO)CO 62a_100000246451_100000059175 [0,2,0,0,0,0|1,1,0]=4 15676 B16R1.20156 COc1ccc(cc1SC[C@@H](O)CF)C#N 62a_100015614560_100000188253 [0,2,0,0,0,0|1,1,0]=4 15677 B16R1.20156 COc1ccc(cc1SC[C@@H](O)CF)C=O 62a_100000173361_100015614560 [0,2,0,0,0,0|1,1,0]=4 15678 B16R1.20156 COc1ccc(cc1SC[C@@H](O)CF)C=O 62a_100015614560_100000173361 [0,2,0,0,0,0|1,1,0]=4 15679 B16R1.20156 COc1ccc(cc1SC[C@@H](O)CF)CN 62a_100015614560_100159240714 [0,2,0,0,0,0|1,1,0]=4 15680 B16R1.20156 COc1ccc(cc1SC[C@@H](O)CF)CN 62a_100159240714_100015614560 [0,2,0,0,0,0|1,1,0]=4 15681 B16R1.20156 COc1ccc(cc1SC[C@@H](O)CF)CO 62a_100000246451_100015614560 [0,2,0,0,0,0|1,1,0]=4 15682 B16R1.20156 COc1ccc(cc1SC[C@@H](O)CF)CO 62a_100015614560_100000246451 [0,2,0,0,0,0|1,1,0]=4 15683 B16R1.20156 COc1ccc(cc1SC[C@@H](O)CO)C#N 62a_100009815848_100000188253 [0,2,0,0,0,0|0,1,0]=3 15684 B16R1.20156 COc1ccc(cc1SC[C@@H](O)CO)C=O 62a_100000173361_100009815848 [0,2,0,0,0,0|0,1,0]=3 15685 B16R1.20156 COc1ccc(cc1SC[C@@H](O)CO)C=O 62a_100009815848_100000173361 [0,2,0,0,0,0|0,1,0]=3 15686 B16R1.20156 COc1ccc(cc1SC[C@@H](O)CO)CN 62a_100009815848_100159240714 [0,2,0,0,0,0|0,1,0]=3 15687 B16R1.20156 COc1ccc(cc1SC[C@@H](O)CO)CN 62a_100159240714_100009815848 [0,2,0,0,0,0|0,1,0]=3 15688 B16R1.20156 COc1ccc(cc1SC[C@@H](O)CO)CO 62a_100000246451_100009815848 [0,2,0,0,0,0|0,1,0]=3 15689 B16R1.20156 COc1ccc(cc1SC[C@@H](O)CO)CO 62a_100009815848_100000246451 [0,2,0,0,0,0|0,1,0]=3 15690 B16R1.20156 COc1ccc(nc1SCC(O)CO)C=O 62a_100010174741_100011219619 [0,2,0,0,0,0|1,1,0]=4 15691 B16R1.20156 COc1ccc(nc1SCC(O)CO)C=O 62a_100011219619_100010174741 [0,2,0,0,0,0|1,1,0]=4 15692 B16R1.20156 COc1ccc(nc1SCC(O)CO)CO 62a_100009842956_100011219619 [0,2,0,0,0,0|1,1,0]=4 15693 B16R1.20156 COc1ccc(nc1SCC(O)CO)CO 62a_100011219619_100009842956 [0,2,0,0,0,0|1,1,0]=4 15694 B16R1.20156 COc1ccc(nc1SC[C@@H](O)CO)C=O 62a_100009815848_100010174741 [0,2,0,0,0,0|1,1,0]=4 15695 B16R1.20156 COc1ccc(nc1SC[C@@H](O)CO)C=O 62a_100010174741_100009815848 [0,2,0,0,0,0|1,1,0]=4 15696 B16R1.20156 COc1ccc(nc1SC[C@@H](O)CO)CO 62a_100009815848_100009842956 [0,2,0,0,0,0|1,1,0]=4 15697 B16R1.20156 COc1ccc(nc1SC[C@@H](O)CO)CO 62a_100009842956_100009815848 [0,2,0,0,0,0|1,1,0]=4 15698 B16R1.20156 COc1cnc(cc1SCC(O)CO)C=O 62a_100010893078_100011219619 [0,2,0,0,0,0|1,1,0]=4 15699 B16R1.20156 COc1cnc(cc1SCC(O)CO)C=O 62a_100011219619_100010893078 [0,2,0,0,0,0|1,1,0]=4 15700 B16R1.20156 COc1cnc(cc1SC[C@@H](O)CO)C=O 62a_100009815848_100010893078 [0,2,0,0,0,0|1,1,0]=4 15701 B16R1.20156 COc1cnc(cc1SC[C@@H](O)CO)C=O 62a_100010893078_100009815848 [0,2,0,0,0,0|1,1,0]=4 15702 B16R1.20156 COc1ncc(cc1SCC(O)CO)C=O 62a_100011219619_200010064893 [0,2,0,0,0,0|1,1,0]=4 15703 B16R1.20156 COc1ncc(cc1SCC(O)CO)C=O 62a_200010064893_100011219619 [0,2,0,0,0,0|1,1,0]=4 15704 B16R1.20156 COc1ncc(cc1SC[C@@H](O)CO)C=O 62a_100009815848_200010064893 [0,2,0,0,0,0|1,1,0]=4 15705 B16R1.20156 COc1ncc(cc1SC[C@@H](O)CO)C=O 62a_200010064893_100009815848 [0,2,0,0,0,0|1,1,0]=4 15706 B16R1.20156 OCc1ccc(c(c1)OCC(O)CO)CO 34a_200010669990_100011219619 [0,2,0,0,0,0|2,0,0]=4 15707 B16R1.20156 OCc1ccc(c(c1)OC[C@@H](O)CO)CO 34a_200010669990_100009815848 [0,2,0,0,0,0|2,0,0]=4 15708 B16R1.20197 C=CC(O)COc1ccc(cc1OC)C#N 34a_100000184589_100000730141 [0,2,0,0,0,0|1,0,1]=4 15709 B16R1.20197 C=CC(O)COc1ccc(cc1OC)C#N 7a_100000184589_100000730141 [0,2,0,0,0,0|1,0,1]=4 15710 B16R1.20197 C=CC(O)COc1ccc(cc1OC)CC 34a_100000186467_100000730141 [0,2,0,0,0,0|1,0,1]=4 15711 B16R1.20197 C=CC(O)COc1ccc(cc1OC)CC 7a_100000186467_100000730141 [0,2,0,0,0,0|1,0,1]=4 15712 B16R1.20197 C=CC(O)COc1ccc(cc1OC)CN 34a_100000185554_100000730141 [0,2,0,0,0,0|1,0,1]=4 15713 B16R1.20197 C=CC(O)COc1ccc(cc1OC)OC 34a_100009840267_100000730141 [0,2,0,0,0,0|1,0,1]=4 15714 B16R1.20197 C=Cc1ccc(c(c1)OC)OCC(C)CC 34a_100011217988_100000748023 [0,2,0,0,0,0|2,0,0]=4 15715 B16R1.20197 C=Cc1ccc(c(c1)OC)OCC(O)C=C 34a_100011217988_100000730141 [0,2,0,0,0,0|1,0,1]=4 15716 B16R1.20197 C=Cc1ccc(c(c1)OC)OCC(O)CC 34a_100011217988_100011218378 [0,2,0,0,0,0|1,0,0]=3 15717 B16R1.20197 C=Cc1ccc(c(c1)OC)OCC(O)CO 34a_100011217988_100011219619 [0,2,0,0,0,0|0,0,0]=2 15718 B16R1.20197 C=Cc1ccc(c(c1)OC)OC[C@@H](C)CC 34a_100011217988_100009816398 [0,2,0,0,0,0|2,0,0]=4 15719 B16R1.20197 C=Cc1ccc(c(c1)OC)OC[C@@H](C)CO 34a_100011217988_100000059175 [0,2,0,0,0,0|1,0,0]=3 15720 B16R1.20197 C=Cc1ccc(c(c1)OC)OC[C@@H](O)CF 34a_100011217988_100015614560 [0,2,0,0,0,0|1,0,0]=3 15721 B16R1.20197 C=Cc1ccc(c(c1)OC)OC[C@@H](O)CO 34a_100011217988_100009815848 [0,2,0,0,0,0|0,0,0]=2 15722 B16R1.20197 CCC(C)COc1ccc(cc1OC)C#N 34a_100000184589_100000748023 [0,2,0,0,0,0|2,0,0]=4 15723 B16R1.20197 CCC(C)COc1ccc(cc1OC)C#N 7a_100000184589_100000748023 [0,2,0,0,0,0|2,0,0]=4 15724 B16R1.20197 CCC(C)COc1ccc(cc1OC)CN 34a_100000185554_100000748023 [0,2,0,0,0,0|2,0,0]=4 15725 B16R1.20197 CCC(C)COc1ccc(cc1OC)OC 34a_100009840267_100000748023 [0,2,0,0,0,0|2,0,0]=4 15726 B16R1.20197 CCC(O)CNc1ccc(cc1OC)C#N 34a_100000701993_100011218378 [0,2,0,0,0,0|2,0,0]=4 15727 B16R1.20197 CCC(O)CNc1ccc(cc1OC)CO 2230a_100000087641_100011218378 [0,2,0,0,0,0|2,0,0]=4 15728 B16R1.20197 CCC(O)CNc1ccc(cc1OC)CO 34a_100000087641_100011218378 [0,2,0,0,0,0|2,0,0]=4 15729 B16R1.20197 CCC(O)CNc1ccc(cc1OC)OC 2230a_100000211191_100011218378 [0,2,0,0,0,0|2,0,0]=4 15730 B16R1.20197 CCC(O)CNc1ccc(cc1OC)OC 34a_100000211191_100011218378 [0,2,0,0,0,0|2,0,0]=4 15731 B16R1.20197 CCC(O)CNc1ccc(cc1OC)SC 2230a_100000766855_100011218378 [0,2,0,0,0,0|2,0,0]=4 15732 B16R1.20197 CCC(O)CNc1ccc(cc1OC)SC 34a_100000766855_100011218378 [0,2,0,0,0,0|2,0,0]=4 15733 B16R1.20197 CCC(O)COc1ccc(cc1OC)C#N 34a_100000184589_100011218378 [0,2,0,0,0,0|1,0,0]=3 15734 B16R1.20197 CCC(O)COc1ccc(cc1OC)C#N 7a_100000184589_100011218378 [0,2,0,0,0,0|1,0,0]=3 15735 B16R1.20197 CCC(O)COc1ccc(cc1OC)CN 34a_100000185554_100011218378 [0,2,0,0,0,0|1,0,0]=3 15736 B16R1.20197 CCC(O)COc1ccc(cc1OC)OC 34a_100009840267_100011218378 [0,2,0,0,0,0|1,0,0]=3 15737 B16R1.20197 CCC(O)COc1ccc(nc1OC)OC 34a_100000085135_100011218378 [0,2,0,0,0,0|2,0,0]=4 15738 B16R1.20197 CCC(O)CSc1ccc(cc1OC)C#N 62a_100011218378_100012356288 [0,2,0,0,0,0|1,1,0]=4 15739 B16R1.20197 CCC(O)CSc1ccc(cc1OC)C=O 62a_100010244714_100011218378 [0,2,0,0,0,0|1,1,0]=4 15740 B16R1.20197 CCC(O)CSc1ccc(cc1OC)C=O 62a_100011218378_100010244714 [0,2,0,0,0,0|1,1,0]=4 15741 B16R1.20197 CCC(O)CSc1ccc(cc1OC)CO 62a_100010234685_100011218378 [0,2,0,0,0,0|1,1,0]=4 15742 B16R1.20197 CCC(O)CSc1ccc(cc1OC)CO 62a_100011218378_100010234685 [0,2,0,0,0,0|1,1,0]=4 15743 B16R1.20197 CCC(O)CSc1ccc(cc1OC)OC 62a_100000750026_100011218378 [0,2,0,0,0,0|1,1,0]=4 15744 B16R1.20197 CCC(O)CSc1ccc(cc1OC)OC 62a_100011218378_100000750026 [0,2,0,0,0,0|1,1,0]=4 15745 B16R1.20197 CC[C@H](C)COc1ccc(cc1OC)C#N 34a_100000184589_100009816398 [0,2,0,0,0,0|2,0,0]=4 15746 B16R1.20197 CC[C@H](C)COc1ccc(cc1OC)C#N 7a_100000184589_100009816398 [0,2,0,0,0,0|2,0,0]=4 15747 B16R1.20197 CC[C@H](C)COc1ccc(cc1OC)CN 34a_100000185554_100009816398 [0,2,0,0,0,0|2,0,0]=4 15748 B16R1.20197 CC[C@H](C)COc1ccc(cc1OC)OC 34a_100009840267_100009816398 [0,2,0,0,0,0|2,0,0]=4 15749 B16R1.20197 CCc1cc(ccc1NCC(O)CO)C#N 34a_100011219738_100011219619 [0,2,0,0,0,0|2,0,0]=4 15750 B16R1.20197 CCc1cc(ccc1NCC(O)CO)C#N 7a_100011219738_100011219619 [0,2,0,0,0,0|2,0,0]=4 15751 B16R1.20197 CCc1cc(ccc1NC[C@@H](O)CO)C#N 34a_100011219738_100009815848 [0,2,0,0,0,0|2,0,0]=4 15752 B16R1.20197 CCc1cc(ccc1NC[C@@H](O)CO)C#N 7a_100011219738_100009815848 [0,2,0,0,0,0|2,0,0]=4 15753 B16R1.20197 CCc1cc(ccc1NC[C@H](O)CO)C#N 27a_100020644852_100010115944 [0,2,0,0,0,0|2,0,0]=4 15754 B16R1.20197 CCc1cc(ccc1SCC(O)CO)C#N 62a_100011219619_100010115944 [0,2,0,0,0,0|1,1,0]=4 15755 B16R1.20197 CCc1cc(ccc1SCC(O)CO)OC 62a_100000720562_100011219619 [0,2,0,0,0,0|1,1,0]=4 15756 B16R1.20197 CCc1cc(ccc1SCC(O)CO)OC 62a_100011219619_100000720562 [0,2,0,0,0,0|1,1,0]=4 15757 B16R1.20197 CCc1cc(ccc1SC[C@@H](O)CO)C#N 62a_100009815848_100010115944 [0,2,0,0,0,0|1,1,0]=4 15758 B16R1.20197 CCc1cc(ccc1SC[C@@H](O)CO)OC 62a_100000720562_100009815848 [0,2,0,0,0,0|1,1,0]=4 15759 B16R1.20197 CCc1cc(ccc1SC[C@@H](O)CO)OC 62a_100009815848_100000720562 [0,2,0,0,0,0|1,1,0]=4 15760 B16R1.20197 CCc1ccc(c(c1)OC)OCC(C)CC 34a_100000186467_100000748023 [0,2,0,0,0,0|2,0,0]=4 15761 B16R1.20197 CCc1ccc(c(c1)OC)OCC(C)CC 7a_100000186467_100000748023 [0,2,0,0,0,0|2,0,0]=4 15762 B16R1.20197 CCc1ccc(c(c1)OC)OCC(O)CC 34a_100000186467_100011218378 [0,2,0,0,0,0|1,0,0]=3 15763 B16R1.20197 CCc1ccc(c(c1)OC)OCC(O)CC 7a_100000186467_100011218378 [0,2,0,0,0,0|1,0,0]=3 15764 B16R1.20197 CCc1ccc(c(c1)OC)OCC(O)CO 34a_100000186467_100011219619 [0,2,0,0,0,0|0,0,0]=2 15765 B16R1.20197 CCc1ccc(c(c1)OC)OCC(O)CO 7a_100000186467_100011219619 [0,2,0,0,0,0|0,0,0]=2 15766 B16R1.20197 CCc1ccc(c(c1)OC)OC[C@@H](C)CC 34a_100000186467_100009816398 [0,2,0,0,0,0|2,0,0]=4 15767 B16R1.20197 CCc1ccc(c(c1)OC)OC[C@@H](C)CC 7a_100000186467_100009816398 [0,2,0,0,0,0|2,0,0]=4 15768 B16R1.20197 CCc1ccc(c(c1)OC)OC[C@@H](C)CO 34a_100000186467_100000059175 [0,2,0,0,0,0|1,0,0]=3 15769 B16R1.20197 CCc1ccc(c(c1)OC)OC[C@@H](C)CO 7a_100000186467_100000059175 [0,2,0,0,0,0|1,0,0]=3 15770 B16R1.20197 CCc1ccc(c(c1)OC)OC[C@@H](O)CF 34a_100000186467_100015614560 [0,2,0,0,0,0|1,0,0]=3 15771 B16R1.20197 CCc1ccc(c(c1)OC)OC[C@@H](O)CF 7a_100000186467_100015614560 [0,2,0,0,0,0|1,0,0]=3 15772 B16R1.20197 CCc1ccc(c(c1)OC)OC[C@@H](O)CO 34a_100000186467_100009815848 [0,2,0,0,0,0|0,0,0]=2 15773 B16R1.20197 CCc1ccc(c(c1)OC)OC[C@@H](O)CO 7a_100000186467_100009815848 [0,2,0,0,0,0|0,0,0]=2 15774 B16R1.20197 CCc1ccc(c(c1)OC)SCC(O)CC 62a_100011218378_200010710389 [0,2,0,0,0,0|1,1,0]=4 15775 B16R1.20197 CCc1ccc(c(c1)OC)SCC(O)CC 62a_200010710389_100011218378 [0,2,0,0,0,0|1,1,0]=4 15776 B16R1.20197 CCc1ccc(c(c1)OC)SCC(O)CO 62a_100011219619_200010710389 [0,2,0,0,0,0|0,1,0]=3 15777 B16R1.20197 CCc1ccc(c(c1)OC)SCC(O)CO 62a_200010710389_100011219619 [0,2,0,0,0,0|0,1,0]=3 15778 B16R1.20197 CCc1ccc(c(c1)OC)SC[C@@H](C)CO 62a_100000059175_200010710389 [0,2,0,0,0,0|1,1,0]=4 15779 B16R1.20197 CCc1ccc(c(c1)OC)SC[C@@H](C)CO 62a_200010710389_100000059175 [0,2,0,0,0,0|1,1,0]=4 15780 B16R1.20197 CCc1ccc(c(c1)OC)SC[C@@H](O)CF 62a_100015614560_200010710389 [0,2,0,0,0,0|1,1,0]=4 15781 B16R1.20197 CCc1ccc(c(c1)OC)SC[C@@H](O)CF 62a_200010710389_100015614560 [0,2,0,0,0,0|1,1,0]=4 15782 B16R1.20197 CCc1ccc(c(c1)OC)SC[C@@H](O)CO 62a_100009815848_200010710389 [0,2,0,0,0,0|0,1,0]=3 15783 B16R1.20197 CCc1ccc(c(c1)OC)SC[C@@H](O)CO 62a_200010710389_100009815848 [0,2,0,0,0,0|0,1,0]=3 15784 B16R1.20197 COc1cc(c(cn1)SCC(O)CO)OC 62a_100010191559_100011219619 [0,2,0,0,0,0|1,1,0]=4 15785 B16R1.20197 COc1cc(c(cn1)SCC(O)CO)OC 62a_100011219619_100010191559 [0,2,0,0,0,0|1,1,0]=4 15786 B16R1.20197 COc1cc(c(cn1)SC[C@@H](O)CO)OC 62a_100009815848_100010191559 [0,2,0,0,0,0|1,1,0]=4 15787 B16R1.20197 COc1cc(c(cn1)SC[C@@H](O)CO)OC 62a_100010191559_100009815848 [0,2,0,0,0,0|1,1,0]=4 15788 B16R1.20197 COc1cc(ccc1NCC(O)CO)C#N 34a_100000701993_100011219619 [0,2,0,0,0,0|1,0,0]=3 15789 B16R1.20197 COc1cc(ccc1NCC(O)CO)CO 2230a_100000087641_100011219619 [0,2,0,0,0,0|1,0,0]=3 15790 B16R1.20197 COc1cc(ccc1NCC(O)CO)CO 34a_100000087641_100011219619 [0,2,0,0,0,0|1,0,0]=3 15791 B16R1.20197 COc1cc(ccc1NCC(O)CO)SC 2230a_100000766855_100011219619 [0,2,0,0,0,0|1,0,0]=3 15792 B16R1.20197 COc1cc(ccc1NCC(O)CO)SC 34a_100000766855_100011219619 [0,2,0,0,0,0|1,0,0]=3 15793 B16R1.20197 COc1cc(ccc1NC[C@@H](C)CO)C#N 34a_100000701993_100000059175 [0,2,0,0,0,0|2,0,0]=4 15794 B16R1.20197 COc1cc(ccc1NC[C@@H](C)CO)CO 2230a_100000087641_100000059175 [0,2,0,0,0,0|2,0,0]=4 15795 B16R1.20197 COc1cc(ccc1NC[C@@H](C)CO)CO 34a_100000087641_100000059175 [0,2,0,0,0,0|2,0,0]=4 15796 B16R1.20197 COc1cc(ccc1NC[C@@H](C)CO)SC 2230a_100000766855_100000059175 [0,2,0,0,0,0|2,0,0]=4 15797 B16R1.20197 COc1cc(ccc1NC[C@@H](C)CO)SC 34a_100000766855_100000059175 [0,2,0,0,0,0|2,0,0]=4 15798 B16R1.20197 COc1cc(ccc1NC[C@@H](O)CF)C#N 34a_100000701993_100015614560 [0,2,0,0,0,0|2,0,0]=4 15799 B16R1.20197 COc1cc(ccc1NC[C@@H](O)CF)CO 2230a_100000087641_100015614560 [0,2,0,0,0,0|2,0,0]=4 15800 B16R1.20197 COc1cc(ccc1NC[C@@H](O)CF)CO 34a_100000087641_100015614560 [0,2,0,0,0,0|2,0,0]=4 15801 B16R1.20197 COc1cc(ccc1NC[C@@H](O)CF)SC 2230a_100000766855_100015614560 [0,2,0,0,0,0|2,0,0]=4 15802 B16R1.20197 COc1cc(ccc1NC[C@@H](O)CF)SC 34a_100000766855_100015614560 [0,2,0,0,0,0|2,0,0]=4 15803 B16R1.20197 COc1cc(ccc1NC[C@@H](O)CO)C#N 34a_100000701993_100009815848 [0,2,0,0,0,0|1,0,0]=3 15804 B16R1.20197 COc1cc(ccc1NC[C@@H](O)CO)CO 2230a_100000087641_100009815848 [0,2,0,0,0,0|1,0,0]=3 15805 B16R1.20197 COc1cc(ccc1NC[C@@H](O)CO)CO 34a_100000087641_100009815848 [0,2,0,0,0,0|1,0,0]=3 15806 B16R1.20197 COc1cc(ccc1NC[C@@H](O)CO)SC 2230a_100000766855_100009815848 [0,2,0,0,0,0|1,0,0]=3 15807 B16R1.20197 COc1cc(ccc1NC[C@@H](O)CO)SC 34a_100000766855_100009815848 [0,2,0,0,0,0|1,0,0]=3 15808 B16R1.20197 COc1cc(ccc1OCC(O)CO)C#N 34a_100000184589_100011219619 [0,2,0,0,0,0|0,0,0]=2 15809 B16R1.20197 COc1cc(ccc1OCC(O)CO)C#N 7a_100000184589_100011219619 [0,2,0,0,0,0|0,0,0]=2 15810 B16R1.20197 COc1cc(ccc1OCC(O)CO)CN 34a_100000185554_100011219619 [0,2,0,0,0,0|0,0,0]=2 15811 B16R1.20197 COc1cc(ccc1OC[C@@H](C)CO)C#N 34a_100000184589_100000059175 [0,2,0,0,0,0|1,0,0]=3 15812 B16R1.20197 COc1cc(ccc1OC[C@@H](C)CO)C#N 7a_100000184589_100000059175 [0,2,0,0,0,0|1,0,0]=3 15813 B16R1.20197 COc1cc(ccc1OC[C@@H](C)CO)CN 34a_100000185554_100000059175 [0,2,0,0,0,0|1,0,0]=3 15814 B16R1.20197 COc1cc(ccc1OC[C@@H](O)CF)C#N 34a_100000184589_100015614560 [0,2,0,0,0,0|1,0,0]=3 15815 B16R1.20197 COc1cc(ccc1OC[C@@H](O)CF)C#N 7a_100000184589_100015614560 [0,2,0,0,0,0|1,0,0]=3 15816 B16R1.20197 COc1cc(ccc1OC[C@@H](O)CF)CN 34a_100000185554_100015614560 [0,2,0,0,0,0|1,0,0]=3 15817 B16R1.20197 COc1cc(ccc1OC[C@@H](O)CO)C#N 34a_100000184589_100009815848 [0,2,0,0,0,0|0,0,0]=2 15818 B16R1.20197 COc1cc(ccc1OC[C@@H](O)CO)C#N 7a_100000184589_100009815848 [0,2,0,0,0,0|0,0,0]=2 15819 B16R1.20197 COc1cc(ccc1OC[C@@H](O)CO)CN 34a_100000185554_100009815848 [0,2,0,0,0,0|0,0,0]=2 15820 B16R1.20197 COc1cc(ccc1SCC(O)CO)C#N 62a_100011219619_100012356288 [0,2,0,0,0,0|0,1,0]=3 15821 B16R1.20197 COc1cc(ccc1SCC(O)CO)C=O 62a_100010244714_100011219619 [0,2,0,0,0,0|0,1,0]=3 15822 B16R1.20197 COc1cc(ccc1SCC(O)CO)C=O 62a_100011219619_100010244714 [0,2,0,0,0,0|0,1,0]=3 15823 B16R1.20197 COc1cc(ccc1SCC(O)CO)CO 62a_100010234685_100011219619 [0,2,0,0,0,0|0,1,0]=3 15824 B16R1.20197 COc1cc(ccc1SCC(O)CO)CO 62a_100011219619_100010234685 [0,2,0,0,0,0|0,1,0]=3 15825 B16R1.20197 COc1cc(ccc1SC[C@@H](C)CO)C#N 62a_100000059175_100012356288 [0,2,0,0,0,0|1,1,0]=4 15826 B16R1.20197 COc1cc(ccc1SC[C@@H](C)CO)C=O 62a_100000059175_100010244714 [0,2,0,0,0,0|1,1,0]=4 15827 B16R1.20197 COc1cc(ccc1SC[C@@H](C)CO)C=O 62a_100010244714_100000059175 [0,2,0,0,0,0|1,1,0]=4 15828 B16R1.20197 COc1cc(ccc1SC[C@@H](C)CO)CO 62a_100000059175_100010234685 [0,2,0,0,0,0|1,1,0]=4 15829 B16R1.20197 COc1cc(ccc1SC[C@@H](C)CO)CO 62a_100010234685_100000059175 [0,2,0,0,0,0|1,1,0]=4 15830 B16R1.20197 COc1cc(ccc1SC[C@@H](O)CF)C#N 62a_100015614560_100012356288 [0,2,0,0,0,0|1,1,0]=4 15831 B16R1.20197 COc1cc(ccc1SC[C@@H](O)CF)C=O 62a_100010244714_100015614560 [0,2,0,0,0,0|1,1,0]=4 15832 B16R1.20197 COc1cc(ccc1SC[C@@H](O)CF)C=O 62a_100015614560_100010244714 [0,2,0,0,0,0|1,1,0]=4 15833 B16R1.20197 COc1cc(ccc1SC[C@@H](O)CF)CO 62a_100010234685_100015614560 [0,2,0,0,0,0|1,1,0]=4 15834 B16R1.20197 COc1cc(ccc1SC[C@@H](O)CF)CO 62a_100015614560_100010234685 [0,2,0,0,0,0|1,1,0]=4 15835 B16R1.20197 COc1cc(ccc1SC[C@@H](O)CO)C#N 62a_100009815848_100012356288 [0,2,0,0,0,0|0,1,0]=3 15836 B16R1.20197 COc1cc(ccc1SC[C@@H](O)CO)C=O 62a_100009815848_100010244714 [0,2,0,0,0,0|0,1,0]=3 15837 B16R1.20197 COc1cc(ccc1SC[C@@H](O)CO)C=O 62a_100010244714_100009815848 [0,2,0,0,0,0|0,1,0]=3 15838 B16R1.20197 COc1cc(ccc1SC[C@@H](O)CO)CO 62a_100009815848_100010234685 [0,2,0,0,0,0|0,1,0]=3 15839 B16R1.20197 COc1cc(ccc1SC[C@@H](O)CO)CO 62a_100010234685_100009815848 [0,2,0,0,0,0|0,1,0]=3 15840 B16R1.20197 COc1cc(cnc1NC[C@H](O)CO)C#N 27a_100020644852_200009864118 [0,2,0,0,0,0|2,0,0]=4 15841 B16R1.20197 COc1cc(cnc1SCC(O)CO)C#N 62a_100011219619_200009864118 [0,2,0,0,0,0|1,1,0]=4 15842 B16R1.20197 COc1cc(cnc1SC[C@@H](O)CO)C#N 62a_100009815848_200009864118 [0,2,0,0,0,0|1,1,0]=4 15843 B16R1.20197 COc1cc(ncc1SCC(O)CO)C#N 62a_100011219619_100010136804 [0,2,0,0,0,0|1,1,0]=4 15844 B16R1.20197 COc1cc(ncc1SCC(O)CO)CO 62a_100010999569_100011219619 [0,2,0,0,0,0|1,1,0]=4 15845 B16R1.20197 COc1cc(ncc1SCC(O)CO)CO 62a_100011219619_100010999569 [0,2,0,0,0,0|1,1,0]=4 15846 B16R1.20197 COc1cc(ncc1SC[C@@H](O)CO)C#N 62a_100009815848_100010136804 [0,2,0,0,0,0|1,1,0]=4 15847 B16R1.20197 COc1cc(ncc1SC[C@@H](O)CO)CO 62a_100009815848_100010999569 [0,2,0,0,0,0|1,1,0]=4 15848 B16R1.20197 COc1cc(ncc1SC[C@@H](O)CO)CO 62a_100010999569_100009815848 [0,2,0,0,0,0|1,1,0]=4 15849 B16R1.20197 COc1ccc(c(c1)C#N)OCC(O)CO 34a_200011934229_100011219619 [0,2,0,0,0,0|2,0,0]=4 15850 B16R1.20197 COc1ccc(c(c1)C#N)OCC(O)CO 7a_200011934229_100011219619 [0,2,0,0,0,0|2,0,0]=4 15851 B16R1.20197 COc1ccc(c(c1)C#N)OC[C@@H](O)CO 34a_200011934229_100009815848 [0,2,0,0,0,0|2,0,0]=4 15852 B16R1.20197 COc1ccc(c(c1)C#N)OC[C@@H](O)CO 7a_200011934229_100009815848 [0,2,0,0,0,0|2,0,0]=4 15853 B16R1.20197 COc1ccc(c(c1)OC)NCC(O)CO 2230a_100000211191_100011219619 [0,2,0,0,0,0|1,0,0]=3 15854 B16R1.20197 COc1ccc(c(c1)OC)NCC(O)CO 34a_100000211191_100011219619 [0,2,0,0,0,0|1,0,0]=3 15855 B16R1.20197 COc1ccc(c(c1)OC)NC[C@@H](C)CO 2230a_100000211191_100000059175 [0,2,0,0,0,0|2,0,0]=4 15856 B16R1.20197 COc1ccc(c(c1)OC)NC[C@@H](C)CO 34a_100000211191_100000059175 [0,2,0,0,0,0|2,0,0]=4 15857 B16R1.20197 COc1ccc(c(c1)OC)NC[C@@H](O)CF 2230a_100000211191_100015614560 [0,2,0,0,0,0|2,0,0]=4 15858 B16R1.20197 COc1ccc(c(c1)OC)NC[C@@H](O)CF 34a_100000211191_100015614560 [0,2,0,0,0,0|2,0,0]=4 15859 B16R1.20197 COc1ccc(c(c1)OC)NC[C@@H](O)CO 2230a_100000211191_100009815848 [0,2,0,0,0,0|1,0,0]=3 15860 B16R1.20197 COc1ccc(c(c1)OC)NC[C@@H](O)CO 34a_100000211191_100009815848 [0,2,0,0,0,0|1,0,0]=3 15861 B16R1.20197 COc1ccc(c(c1)OC)OCC(O)CO 34a_100009840267_100011219619 [0,2,0,0,0,0|0,0,0]=2 15862 B16R1.20197 COc1ccc(c(c1)OC)OC[C@@H](C)CO 34a_100009840267_100000059175 [0,2,0,0,0,0|1,0,0]=3 15863 B16R1.20197 COc1ccc(c(c1)OC)OC[C@@H](O)CF 34a_100009840267_100015614560 [0,2,0,0,0,0|1,0,0]=3 15864 B16R1.20197 COc1ccc(c(c1)OC)OC[C@@H](O)CO 34a_100009840267_100009815848 [0,2,0,0,0,0|0,0,0]=2 15865 B16R1.20197 COc1ccc(c(c1)OC)SCC(O)CO 62a_100000750026_100011219619 [0,2,0,0,0,0|0,1,0]=3 15866 B16R1.20197 COc1ccc(c(c1)OC)SCC(O)CO 62a_100011219619_100000750026 [0,2,0,0,0,0|0,1,0]=3 15867 B16R1.20197 COc1ccc(c(c1)OC)SC[C@@H](C)CO 62a_100000059175_100000750026 [0,2,0,0,0,0|1,1,0]=4 15868 B16R1.20197 COc1ccc(c(c1)OC)SC[C@@H](C)CO 62a_100000750026_100000059175 [0,2,0,0,0,0|1,1,0]=4 15869 B16R1.20197 COc1ccc(c(c1)OC)SC[C@@H](O)CF 62a_100000750026_100015614560 [0,2,0,0,0,0|1,1,0]=4 15870 B16R1.20197 COc1ccc(c(c1)OC)SC[C@@H](O)CF 62a_100015614560_100000750026 [0,2,0,0,0,0|1,1,0]=4 15871 B16R1.20197 COc1ccc(c(c1)OC)SC[C@@H](O)CO 62a_100000750026_100009815848 [0,2,0,0,0,0|0,1,0]=3 15872 B16R1.20197 COc1ccc(c(c1)OC)SC[C@@H](O)CO 62a_100009815848_100000750026 [0,2,0,0,0,0|0,1,0]=3 15873 B16R1.20197 COc1ccc(c(n1)OC)OCC(O)CO 34a_100000085135_100011219619 [0,2,0,0,0,0|1,0,0]=3 15874 B16R1.20197 COc1ccc(c(n1)OC)OC[C@@H](C)CO 34a_100000085135_100000059175 [0,2,0,0,0,0|2,0,0]=4 15875 B16R1.20197 COc1ccc(c(n1)OC)OC[C@@H](O)CF 34a_100000085135_100015614560 [0,2,0,0,0,0|2,0,0]=4 15876 B16R1.20197 COc1ccc(c(n1)OC)OC[C@@H](O)CO 34a_100000085135_100009815848 [0,2,0,0,0,0|1,0,0]=3 15877 B16R1.20197 COc1ccc(c(n1)OC)SCC(O)CO 62a_100009816055_100011219619 [0,2,0,0,0,0|1,1,0]=4 15878 B16R1.20197 COc1ccc(c(n1)OC)SCC(O)CO 62a_100011219619_100009816055 [0,2,0,0,0,0|1,1,0]=4 15879 B16R1.20197 COc1ccc(c(n1)OC)SC[C@@H](O)CO 62a_100009815848_100009816055 [0,2,0,0,0,0|1,1,0]=4 15880 B16R1.20197 COc1ccc(c(n1)OC)SC[C@@H](O)CO 62a_100009816055_100009815848 [0,2,0,0,0,0|1,1,0]=4 15881 B16R1.20197 N#Cc1ccc(c(c1)C#N)OCC(O)CO 34a_200012183189_100011219619 [0,2,0,0,0,0|2,0,0]=4 15882 B16R1.20197 N#Cc1ccc(c(c1)C#N)OCC(O)CO 7a_200012183189_100011219619 [0,2,0,0,0,0|2,0,0]=4 15883 B16R1.20197 N#Cc1ccc(c(c1)C#N)OC[C@@H](O)CO 34a_200012183189_100009815848 [0,2,0,0,0,0|2,0,0]=4 15884 B16R1.20197 N#Cc1ccc(c(c1)C#N)OC[C@@H](O)CO 7a_200012183189_100009815848 [0,2,0,0,0,0|2,0,0]=4 15885 B14R1.709 O=c1cccccc1OCC(O)CO 34a_100000036025_100011219619 [0,0,1,1,0,0|2,0,0]=4 15886 B14R1.709 O=c1cccccc1OCC(O)CO 7a_100000036025_100011219619 [0,0,1,1,0,0|2,0,0]=4 15887 B14R1.709 O=c1cccccc1OC[C@@H](O)CO 34a_100000036025_100009815848 [0,0,1,1,0,0|2,0,0]=4 15888 B14R1.709 O=c1cccccc1OC[C@@H](O)CO 7a_100000036025_100009815848 [0,0,1,1,0,0|2,0,0]=4 15889 B14R1.837 Cc1ccccc1COCC(O)CO 34a_100000698903_100011219619 [0,0,1,1,0,0|1,0,1]=4 15890 B14R1.837 Cc1ccccc1COCC(O)CO 7a_100000698903_100011219619 [0,0,1,1,0,0|1,0,1]=4 15891 B14R1.837 Cc1ccccc1COC[C@@H](O)CO 34a_100000698903_100009815848 [0,0,1,1,0,0|1,0,1]=4 15892 B14R1.837 Cc1ccccc1COC[C@@H](O)CO 7a_100000698903_100009815848 [0,0,1,1,0,0|1,0,1]=4 15893 B14R1.77 C=Cc1cccc(c1)OCC(O)CO 34a_100011309434_100011219619 [0,0,1,1,0,0|1,0,1]=4 15894 B14R1.77 C=Cc1cccc(c1)OCC(O)CO 7a_100011309434_100011219619 [0,0,1,1,0,0|1,0,1]=4 15895 B14R1.77 C=Cc1cccc(c1)OC[C@@H](O)CO 34a_100011309434_100009815848 [0,0,1,1,0,0|1,0,1]=4 15896 B14R1.77 C=Cc1cccc(c1)OC[C@@H](O)CO 7a_100011309434_100009815848 [0,0,1,1,0,0|1,0,1]=4 15897 B14R1.833 Cc1cc(ccc1Br)OCC(O)CO 34a_100000690111_100011219619 [0,0,1,1,0,0|2,0,0]=4 15898 B14R1.833 Cc1cc(ccc1Br)OCC(O)CO 7a_100000690111_100011219619 [0,0,1,1,0,0|2,0,0]=4 15899 B14R1.833 Cc1cc(ccc1Br)OC[C@@H](O)CO 34a_100000690111_100009815848 [0,0,1,1,0,0|2,0,0]=4 15900 B14R1.833 Cc1cc(ccc1Br)OC[C@@H](O)CO 7a_100000690111_100009815848 [0,0,1,1,0,0|2,0,0]=4 15901 B14R1.833 Cc1cc(ccc1Cl)OCC(O)CO 34a_100000211092_100011219619 [0,0,1,1,0,0|2,0,0]=4 15902 B14R1.833 Cc1cc(ccc1Cl)OCC(O)CO 7a_100000211092_100011219619 [0,0,1,1,0,0|2,0,0]=4 15903 B14R1.833 Cc1cc(ccc1Cl)OC[C@@H](O)CO 34a_100000211092_100009815848 [0,0,1,1,0,0|2,0,0]=4 15904 B14R1.833 Cc1cc(ccc1Cl)OC[C@@H](O)CO 7a_100000211092_100009815848 [0,0,1,1,0,0|2,0,0]=4 15905 B14R1.833 Cc1cc(ccc1F)OCC(O)CO 34a_100000751312_100011219619 [0,0,1,1,0,0|2,0,0]=4 15906 B14R1.833 Cc1cc(ccc1F)OCC(O)CO 7a_100000751312_100011219619 [0,0,1,1,0,0|2,0,0]=4 15907 B14R1.833 Cc1cc(ccc1F)OC[C@@H](O)CO 34a_100000751312_100009815848 [0,0,1,1,0,0|2,0,0]=4 15908 B14R1.833 Cc1cc(ccc1F)OC[C@@H](O)CO 7a_100000751312_100009815848 [0,0,1,1,0,0|2,0,0]=4 15909 B14R1.833 Cc1cc(ccc1I)OCC(O)CO 34a_100000729255_100011219619 [0,0,1,1,0,0|2,0,0]=4 15910 B14R1.833 Cc1cc(ccc1I)OCC(O)CO 7a_100000729255_100011219619 [0,0,1,1,0,0|2,0,0]=4 15911 B14R1.833 Cc1cc(ccc1I)OC[C@@H](O)CO 34a_100000729255_100009815848 [0,0,1,1,0,0|2,0,0]=4 15912 B14R1.833 Cc1cc(ccc1I)OC[C@@H](O)CO 7a_100000729255_100009815848 [0,0,1,1,0,0|2,0,0]=4 15913 B14R1.833 Cc1cc(ccc1N)OCC(O)CO 34a_100000756630_100011219619 [0,0,1,1,0,0|2,0,0]=4 15914 B14R1.833 Cc1cc(ccc1N)OCC(O)CO 7a_100000756630_100011219619 [0,0,1,1,0,0|2,0,0]=4 15915 B14R1.833 Cc1cc(ccc1N)OC[C@@H](O)CO 34a_100000756630_100009815848 [0,0,1,1,0,0|2,0,0]=4 15916 B14R1.833 Cc1cc(ccc1N)OC[C@@H](O)CO 7a_100000756630_100009815848 [0,0,1,1,0,0|2,0,0]=4 15917 B14R1.833 Cc1ccc(cc1C)OCC(O)CO 34a_100000210932_100011219619 [0,0,1,1,0,0|1,0,1]=4 15918 B14R1.833 Cc1ccc(cc1C)OCC(O)CO 7a_100000210932_100011219619 [0,0,1,1,0,0|1,0,1]=4 15919 B14R1.833 Cc1ccc(cc1C)OC[C@@H](O)CO 34a_100000210932_100009815848 [0,0,1,1,0,0|1,0,1]=4 15920 B14R1.833 Cc1ccc(cc1C)OC[C@@H](O)CO 7a_100000210932_100009815848 [0,0,1,1,0,0|1,0,1]=4 15921 B14R2.3 OCCNC1COc2c1cccc2 2230a_100000747519_100000211926 [1,0,0,1,0,0|2,0,0]=4 15922 B14R2.98 COc1ccccc1C2=CCCC2 271570a_100000089523_100000174000 [1,0,0,1,0,0|2,0,0]=4 15923 B14R2.98 COc1ccccc1C2CCCC2 34a_100000032629_200000210301 [1,0,0,1,0,0|2,0,0]=4 15924 B14R2.98 COc1ccccc1C2CCCC2 7a_100000032629_200000210301 [1,0,0,1,0,0|2,0,0]=4 15925 B14R2.98 [13CH3]Oc1ccccc1C2CCCC2 34a_100000032629_200025704644 [1,0,0,1,0,0|2,0,0]=4 15926 B14R2.98 [13CH3]Oc1ccccc1C2CCCC2 7a_100000032629_200025704644 [1,0,0,1,0,0|2,0,0]=4 15927 B14R2.112 CNCC1COc2ccccc2O1 2230a_100000682559_200000210301 [1,0,0,1,0,0|2,0,0]=4 15928 B14R2.112 CNCC1COc2ccccc2O1 2230a_106832991635_100011215957 [1,0,0,1,0,0|2,0,0]=4 15929 B14R2.112 CNCC1COc2ccccc2O1 34a_100000682559_200000210301 [1,0,0,1,0,0|2,0,0]=4 15930 B14R2.112 CNCC1COc2ccccc2O1 34a_100102657272_100011215957 [1,0,0,1,0,0|2,0,0]=4 15931 B14R2.112 CNCC1COc2ccccc2O1 7a_106832991635_100011215957 [1,0,0,1,0,0|2,0,0]=4 15932 B14R2.112 COCC1COc2ccccc2O1 34a_100000184353_200000210301 [1,0,0,1,0,0|2,0,0]=4 15933 B14R2.112 COCC1COc2ccccc2O1 34a_100138415774_100011215957 [1,0,0,1,0,0|2,0,0]=4 15934 B14R2.112 CSCC1COc2ccccc2O1 62a_100011215957_200000210301 [1,0,0,1,0,0|2,0,0]=4 15935 B14R2.112 CSCC1COc2ccccc2O1 62a_200000210301_100011215957 [1,0,0,1,0,0|2,0,0]=4 15936 B14R2.112 [13CH3]NCC1COc2ccccc2O1 2230a_100000682559_200025704644 [1,0,0,1,0,0|2,0,0]=4 15937 B14R2.112 [13CH3]NCC1COc2ccccc2O1 34a_100000682559_200025704644 [1,0,0,1,0,0|2,0,0]=4 15938 B14R2.112 [13CH3]OCC1COc2ccccc2O1 34a_100000184353_200025704644 [1,0,0,1,0,0|2,0,0]=4 15939 B14R2.112 [13CH3]SCC1COc2ccccc2O1 62a_100011215957_200025704644 [1,0,0,1,0,0|2,0,0]=4 15940 B14R2.112 [13CH3]SCC1COc2ccccc2O1 62a_200025704644_100011215957 [1,0,0,1,0,0|2,0,0]=4 15941 B14R2.1078 COc1cccc2c1CCCC2O 7a_100000212338_200000210301 [1,0,0,1,0,0|1,0,0]=3 15942 B14R2.1078 COc1cccc2c1OCCC2=O 34a_100009867664_200000210301 [1,0,0,1,0,0|0,0,2]=4 15943 B14R2.1078 COc1cccc2c1OCCC2=O 7a_100009867664_200000210301 [1,0,0,1,0,0|0,0,2]=4 15944 B14R2.1078 CSc1cccc2c1CCCC2O 62a_100009815610_200000210301 [1,0,0,1,0,0|1,1,0]=4 15945 B14R2.1078 CSc1cccc2c1CCCC2O 62a_200000210301_100009815610 [1,0,0,1,0,0|1,1,0]=4 15946 B14R2.1078 CSc1cccc2c1OCCC2N 62a_100000727345_200000210301 [1,0,0,1,0,0|1,1,0]=4 15947 B14R2.1078 CSc1cccc2c1OCCC2N 62a_200000210301_100000727345 [1,0,0,1,0,0|1,1,0]=4 15948 B14R2.1078 [13CH3]Oc1cccc2c1CCCC2O 7a_100000212338_200025704644 [1,0,0,1,0,0|1,0,0]=3 15949 B14R2.1078 [13CH3]Oc1cccc2c1OCCC2=O 34a_100009867664_200025704644 [1,0,0,1,0,0|0,0,2]=4 15950 B14R2.1078 [13CH3]Oc1cccc2c1OCCC2=O 7a_100009867664_200025704644 [1,0,0,1,0,0|0,0,2]=4 15951 B14R2.1078 [13CH3]Sc1cccc2c1CCCC2O 62a_100009815610_200025704644 [1,0,0,1,0,0|1,1,0]=4 15952 B14R2.1078 [13CH3]Sc1cccc2c1CCCC2O 62a_200025704644_100009815610 [1,0,0,1,0,0|1,1,0]=4 15953 B14R2.1078 [13CH3]Sc1cccc2c1OCCC2N 62a_100000727345_200025704644 [1,0,0,1,0,0|1,1,0]=4 15954 B14R2.1078 [13CH3]Sc1cccc2c1OCCC2N 62a_200025704644_100000727345 [1,0,0,1,0,0|1,1,0]=4 15955 B14R2.1914 CCc1ccccc1OC2CCC2 34a_100000210936_100000749161 [1,0,0,1,0,0|2,0,0]=4 15956 B14R2.1914 CNc1ccccc1OC2CCC2 34a_100000033821_100000749161 [1,0,0,1,0,0|2,0,0]=4 15957 B14R2.1914 COc1ccccc1NC2CCC2 34a_100000210025_100000749161 [1,0,0,1,0,0|2,0,0]=4 15958 B14R2.1914 COc1ccccc1OC2CCC2 34a_100000210385_100000749161 [1,0,0,1,0,0|1,0,0]=3 15959 B14R2.1914 COc1ccccc1OC2COC2 34a_100000210385_100009818527 [1,0,0,1,0,0|2,0,0]=4 15960 B14R2.1914 COc1ccccc1SC2CCC2 62a_100000210334_100000749161 [1,0,0,1,0,0|1,1,0]=4 15961 B14R2.1914 COc1cccnc1OC2CCC2 34a_100025773188_100000749161 [1,0,0,1,0,0|2,0,0]=4 15962 B14R2.1914 COc1ccncc1OC2CCC2 34a_100000101186_100000749161 [1,0,0,1,0,0|2,0,0]=4 15963 B14R2.1914 COc1ncccc1OC2CCC2 34a_100000698397_100000749161 [1,0,0,1,0,0|2,0,0]=4 15964 B14R2.1914 CSc1ccccc1OC2CCC2 34a_100011216402_100000749161 [1,0,0,1,0,0|1,1,0]=4 15965 B14R2.11625 C#Cc1ccccc1OCC2CO2 34a_200011470546_102125554688 [1,0,0,1,0,0|1,0,1]=4 15966 B14R2.11625 C#Cc1ccccc1OCC2CO2 7a_200011470546_102125554688 [1,0,0,1,0,0|1,0,1]=4 15967 B14R2.11625 C#Cc1ccccc1OC[C@@H]2CO2 7a_200011470546_100000745022 [1,0,0,1,0,0|1,0,1]=4 15968 B14R2.11625 CCc1ccccc1NCC2CO2 2230a_100000212081_100011216344 [1,0,0,1,0,0|2,0,0]=4 15969 B14R2.11625 CCc1ccccc1NCC2CO2 34a_100000212081_102125554688 [1,0,0,1,0,0|2,0,0]=4 15970 B14R2.11625 CCc1ccccc1NCC2CO2 7a_100000212081_102125554688 [1,0,0,1,0,0|2,0,0]=4 15971 B14R2.11625 CCc1ccccc1NC[C@@H]2CO2 7a_100000212081_100000745022 [1,0,0,1,0,0|2,0,0]=4 15972 B14R2.11625 CCc1ccccc1OCC2CC2 34a_100000210936_100000742324 [1,0,0,1,0,0|2,0,0]=4 15973 B14R2.11625 CCc1ccccc1OCC2CC2 7a_100000210936_100000742324 [1,0,0,1,0,0|2,0,0]=4 15974 B14R2.11625 CCc1ccccc1OCC2CO2 34a_100000210936_102125554688 [1,0,0,1,0,0|1,0,0]=3 15975 B14R2.11625 CCc1ccccc1OCC2CO2 7a_100000210936_102125554688 [1,0,0,1,0,0|1,0,0]=3 15976 B14R2.11625 CCc1ccccc1OCC2CS2 7a_100000210936_100000031435 [1,0,0,1,0,0|1,1,0]=4 15977 B14R2.11625 CCc1ccccc1OC[C@@H]2CO2 7a_100000210936_100000745022 [1,0,0,1,0,0|1,0,0]=3 15978 B14R2.11625 CCc1ccccc1SCC2CO2 62a_100011215823_102125554688 [1,0,0,1,0,0|1,1,0]=4 15979 B14R2.11625 CCc1ccccc1SCC2CO2 62a_102125554688_100011215823 [1,0,0,1,0,0|1,1,0]=4 15980 B14R2.11625 CCc1ccccc1SC[C@@H]2CO2 62a_100000745022_100011215823 [1,0,0,1,0,0|1,1,0]=4 15981 B14R2.11625 CCc1ccccc1SC[C@@H]2CO2 62a_100011215823_100000745022 [1,0,0,1,0,0|1,1,0]=4 15982 B14R2.11625 CNc1ccccc1OCC2CC2 34a_100000033821_100000742324 [1,0,0,1,0,0|2,0,0]=4 15983 B14R2.11625 CNc1ccccc1OCC2CO2 34a_100000033821_102125554688 [1,0,0,1,0,0|1,0,0]=3 15984 B14R2.11625 CNc1ccccc1SCC2CO2 62a_100020606079_102125554688 [1,0,0,1,0,0|1,1,0]=4 15985 B14R2.11625 CNc1ccccc1SCC2CO2 62a_102125554688_100020606079 [1,0,0,1,0,0|1,1,0]=4 15986 B14R2.11625 CNc1ccccc1SC[C@@H]2CO2 62a_100000745022_100020606079 [1,0,0,1,0,0|1,1,0]=4 15987 B14R2.11625 CNc1ccccc1SC[C@@H]2CO2 62a_100020606079_100000745022 [1,0,0,1,0,0|1,1,0]=4 15988 B14R2.11625 COc1ccccc1NCC2CC2 34a_100000210025_100000742324 [1,0,0,1,0,0|2,0,0]=4 15989 B14R2.11625 COc1ccccc1NCC2CO2 34a_100000210025_102125554688 [1,0,0,1,0,0|1,0,0]=3 15990 B14R2.11625 COc1ccccc1OCC2CC2 34a_100000210385_100000742324 [1,0,0,1,0,0|1,0,0]=3 15991 B14R2.11625 COc1ccccc1OCC2CO2 34a_100000210385_102125554688 [1,0,0,1,0,0|0,0,0]=2 15992 B14R2.11625 COc1ccccc1SCC2CC2 62a_100000210334_100000742324 [1,0,0,1,0,0|1,1,0]=4 15993 B14R2.11625 COc1ccccc1SCC2CC2 62a_100000756562_100000210334 [1,0,0,1,0,0|1,1,0]=4 15994 B14R2.11625 COc1ccccc1SCC2CO2 62a_100000210334_102125554688 [1,0,0,1,0,0|0,1,0]=3 15995 B14R2.11625 COc1ccccc1SCC2CO2 62a_102125554688_100000210334 [1,0,0,1,0,0|0,1,0]=3 15996 B14R2.11625 COc1ccccc1SCC2CS2 62a_100000031435_100000210334 [1,0,0,1,0,0|0,2,0]=4 15997 B14R2.11625 COc1ccccc1SCC2CS2 62a_100000210334_100000031435 [1,0,0,1,0,0|0,2,0]=4 15998 B14R2.11625 COc1ccccc1SC[C@@H]2CO2 62a_100000210334_100000745022 [1,0,0,1,0,0|0,1,0]=3 15999 B14R2.11625 COc1ccccc1SC[C@@H]2CO2 62a_100000745022_100000210334 [1,0,0,1,0,0|0,1,0]=3 16000 B14R2.11625 COc1cccnc1OCC2CC2 34a_100025773188_100000742324 [1,0,0,1,0,0|2,0,0]=4 16001 B14R2.11625 COc1cccnc1OCC2CO2 34a_100025773188_102125554688 [1,0,0,1,0,0|1,0,0]=3 16002 B14R2.11625 COc1cccnc1SCC2CO2 62a_100000767102_102125554688 [1,0,0,1,0,0|1,1,0]=4 16003 B14R2.11625 COc1cccnc1SCC2CO2 62a_102125554688_100000690851 [1,0,0,1,0,0|1,1,0]=4 16004 B14R2.11625 COc1cccnc1SC[C@@H]2CO2 62a_100000745022_100000690851 [1,0,0,1,0,0|1,1,0]=4 16005 B14R2.11625 COc1cccnc1SC[C@@H]2CO2 62a_100000767102_100000745022 [1,0,0,1,0,0|1,1,0]=4 16006 B14R2.11625 COc1ccncc1OCC2CC2 34a_100000101186_100000742324 [1,0,0,1,0,0|2,0,0]=4 16007 B14R2.11625 COc1ccncc1OCC2CO2 34a_100000101186_102125554688 [1,0,0,1,0,0|1,0,0]=3 16008 B14R2.11625 COc1ccncc1SCC2CO2 62a_100011997281_102125554688 [1,0,0,1,0,0|1,1,0]=4 16009 B14R2.11625 COc1ccncc1SCC2CO2 62a_102125554688_100011997281 [1,0,0,1,0,0|1,1,0]=4 16010 B14R2.11625 COc1ccncc1SC[C@@H]2CO2 62a_100000745022_100011997281 [1,0,0,1,0,0|1,1,0]=4 16011 B14R2.11625 COc1ccncc1SC[C@@H]2CO2 62a_100011997281_100000745022 [1,0,0,1,0,0|1,1,0]=4 16012 B14R2.11625 COc1cnccc1SCC2CO2 62a_100016988167_102125554688 [1,0,0,1,0,0|1,1,0]=4 16013 B14R2.11625 COc1cnccc1SCC2CO2 62a_102125554688_100016988167 [1,0,0,1,0,0|1,1,0]=4 16014 B14R2.11625 COc1cnccc1SC[C@@H]2CO2 62a_100000745022_100016988167 [1,0,0,1,0,0|1,1,0]=4 16015 B14R2.11625 COc1cnccc1SC[C@@H]2CO2 62a_100016988167_100000745022 [1,0,0,1,0,0|1,1,0]=4 16016 B14R2.11625 COc1ncccc1OCC2CC2 34a_100000698397_100000742324 [1,0,0,1,0,0|2,0,0]=4 16017 B14R2.11625 COc1ncccc1OCC2CC2 7a_100000698397_100000742324 [1,0,0,1,0,0|2,0,0]=4 16018 B14R2.11625 COc1ncccc1OCC2CO2 34a_100000698397_102125554688 [1,0,0,1,0,0|1,0,0]=3 16019 B14R2.11625 COc1ncccc1OCC2CO2 7a_100000698397_102125554688 [1,0,0,1,0,0|1,0,0]=3 16020 B14R2.11625 COc1ncccc1OCC2CS2 7a_100000698397_100000031435 [1,0,0,1,0,0|1,1,0]=4 16021 B14R2.11625 COc1ncccc1OC[C@@H]2CO2 7a_100000698397_100000745022 [1,0,0,1,0,0|1,0,0]=3 16022 B14R2.11625 COc1ncccc1SCC2CO2 62a_100000047025_102125554688 [1,0,0,1,0,0|1,1,0]=4 16023 B14R2.11625 COc1ncccc1SCC2CO2 62a_102125554688_100000047025 [1,0,0,1,0,0|1,1,0]=4 16024 B14R2.11625 COc1ncccc1SC[C@@H]2CO2 62a_100000047025_100000745022 [1,0,0,1,0,0|1,1,0]=4 16025 B14R2.11625 COc1ncccc1SC[C@@H]2CO2 62a_100000745022_100000047025 [1,0,0,1,0,0|1,1,0]=4 16026 B14R2.11625 CSc1ccccc1NCC2CO2 34a_100000211160_102125554688 [1,0,0,1,0,0|1,1,0]=4 16027 B14R2.11625 CSc1ccccc1OCC2CC2 34a_100011216402_100000742324 [1,0,0,1,0,0|1,1,0]=4 16028 B14R2.11625 CSc1ccccc1OCC2CC2 62a_100011316338_200000210301 [1,0,0,1,0,0|1,1,0]=4 16029 B14R2.11625 CSc1ccccc1OCC2CC2 62a_200000210301_100011316338 [1,0,0,1,0,0|1,1,0]=4 16030 B14R2.11625 CSc1ccccc1OCC2CO2 34a_100011216402_102125554688 [1,0,0,1,0,0|0,1,0]=3 16031 B14R2.11625 CSc1ccccc1SCC2CO2 62a_100011217816_102125554688 [1,0,0,1,0,0|0,2,0]=4 16032 B14R2.11625 CSc1ccccc1SCC2CO2 62a_102125554688_100011217816 [1,0,0,1,0,0|0,2,0]=4 16033 B14R2.11625 CSc1ccccc1SC[C@@H]2CO2 62a_100000745022_100011217816 [1,0,0,1,0,0|0,2,0]=4 16034 B14R2.11625 CSc1ccccc1SC[C@@H]2CO2 62a_100011217816_100000745022 [1,0,0,1,0,0|0,2,0]=4 16035 B14R2.11625 N#Cc1ccccc1OCC2CO2 34a_100000211048_102125554688 [1,0,0,1,0,0|2,0,0]=4 16036 B14R2.11625 N#Cc1ccccc1OCC2CO2 7a_100000211048_102125554688 [1,0,0,1,0,0|2,0,0]=4 16037 B14R2.11625 N#Cc1ccccc1OC[C@@H]2CO2 7a_100000211048_100000745022 [1,0,0,1,0,0|2,0,0]=4 16038 B14R2.11625 NCc1ccccc1OCC2CO2 34a_100000185550_102125554688 [1,0,0,1,0,0|2,0,0]=4 16039 B14R2.11625 OCc1ccccc1OCC2CO2 34a_100011216872_102125554688 [1,0,0,1,0,0|2,0,0]=4 16040 B14R2.11625 [13CH3]Sc1ccccc1OCC2CC2 62a_100011316338_200025704644 [1,0,0,1,0,0|1,1,0]=4 16041 B14R2.11625 [13CH3]Sc1ccccc1OCC2CC2 62a_200025704644_100011316338 [1,0,0,1,0,0|1,1,0]=4 16042 B14R2.11637 CSc1cccc2c1OCCCC2 62a_100010333594_200000210301 [1,0,0,1,0,0|1,1,0]=4 16043 B14R2.11637 CSc1cccc2c1OCCCC2 62a_200000210301_100010333594 [1,0,0,1,0,0|1,1,0]=4 16044 B14R2.11637 [13CH3]Sc1cccc2c1OCCCC2 62a_100010333594_200025704644 [1,0,0,1,0,0|1,1,0]=4 16045 B14R2.11637 [13CH3]Sc1cccc2c1OCCCC2 62a_200025704644_100010333594 [1,0,0,1,0,0|1,1,0]=4 16046 B14R2.781 CC(=O)C1COc2ccccc2O1 1458a_100000182656_200000210301 [1,0,0,1,0,0|0,0,2]=4 16047 B14R2.781 [13CH3]C(=O)C1COc2ccccc2O1 1458a_100000182656_200025704644 [1,0,0,1,0,0|0,0,2]=4 16048 B14R2.664 CC1(CO1)CNc2ccccc2O 34a_100000185747_100000760498 [1,0,0,1,0,0|2,0,0]=4 16049 B14R2.664 CC1(CO1)COc2ccccc2Br 34a_100000181306_100000760498 [1,0,0,1,0,0|2,0,0]=4 16050 B14R2.664 CC1(CO1)COc2ccccc2Cl 34a_100000210172_100000760498 [1,0,0,1,0,0|2,0,0]=4 16051 B14R2.664 CC1(CO1)COc2ccccc2F 34a_100000210171_100000760498 [1,0,0,1,0,0|2,0,0]=4 16052 B14R2.664 CC1(CO1)COc2ccccc2I 34a_100000739446_100000760498 [1,0,0,1,0,0|2,0,0]=4 16053 B14R2.664 CC1(CO1)COc2ccccc2N 34a_100000185747_100000760498 [1,0,0,1,0,0|2,0,0]=4 16054 B14R2.664 CC1(CO1)CSc2ccccc2O 62a_100000739446_100000760498 [1,0,0,1,0,0|1,1,0]=4 16055 B14R2.664 CC1(CO1)CSc2ccccc2O 62a_100000760498_100000739446 [1,0,0,1,0,0|1,1,0]=4 16056 B14R2.664 Cc1ccccc1NCC2(CO2)C 34a_100015192222_100000760498 [1,0,0,1,0,0|2,0,0]=4 16057 B14R2.664 Cc1ccccc1OCC2(CO2)C 34a_100000210338_100000760498 [1,0,0,1,0,0|1,0,0]=3 16058 B14R2.664 Cc1ccccc1SCC2(CO2)C 62a_100000210755_100000760498 [1,0,0,1,0,0|1,1,0]=4 16059 B14R2.664 Cc1ccccc1SCC2(CO2)C 62a_100000760498_100000210755 [1,0,0,1,0,0|1,1,0]=4 16060 B14R2.664 Cc1ccncc1OCC2(CO2)C 34a_100011997053_100000760498 [1,0,0,1,0,0|2,0,0]=4 16061 B14R2.664 Cc1cnccc1OCC2(CO2)C 34a_100000694293_100000760498 [1,0,0,1,0,0|2,0,0]=4 16062 B14R2.664 Cc1ncccc1OCC2(CO2)C 34a_100000745507_100000760498 [1,0,0,1,0,0|2,0,0]=4 16063 B14R2.4634 Brc1ccccc1OCC2CCO2 34a_100000181306_100000103362 [1,0,0,1,0,0|2,0,0]=4 16064 B14R2.4634 Brc1ccccc1OCC2CCO2 7a_100000181306_100000103362 [1,0,0,1,0,0|2,0,0]=4 16065 B14R2.4634 Brc1ccccc1OCC2COC2 34a_100000181306_100010264016 [1,0,0,1,0,0|2,0,0]=4 16066 B14R2.4634 Brc1ccccc1OCC2COC2 7a_100000181306_100010264016 [1,0,0,1,0,0|2,0,0]=4 16067 B14R2.4634 Cc1ccccc1NCC2CCO2 34a_100015192222_100000103362 [1,0,0,1,0,0|2,0,0]=4 16068 B14R2.4634 Cc1ccccc1NCC2COC2 34a_100015192222_100010264016 [1,0,0,1,0,0|2,0,0]=4 16069 B14R2.4634 Cc1ccccc1OCC2CCC2 34a_100000210338_100000763275 [1,0,0,1,0,0|2,0,0]=4 16070 B14R2.4634 Cc1ccccc1OCC2CCC2 7a_100000210338_100000763275 [1,0,0,1,0,0|2,0,0]=4 16071 B14R2.4634 Cc1ccccc1OCC2CCO2 34a_100000210338_100000103362 [1,0,0,1,0,0|1,0,0]=3 16072 B14R2.4634 Cc1ccccc1OCC2CCO2 7a_100000210338_100000103362 [1,0,0,1,0,0|1,0,0]=3 16073 B14R2.4634 Cc1ccccc1OCC2COC2 34a_100000210338_100010264016 [1,0,0,1,0,0|1,0,0]=3 16074 B14R2.4634 Cc1ccccc1OCC2COC2 7a_100000210338_100010264016 [1,0,0,1,0,0|1,0,0]=3 16075 B14R2.4634 Cc1ccccc1SCC2CCO2 62a_100000103362_100000210755 [1,0,0,1,0,0|1,1,0]=4 16076 B14R2.4634 Cc1ccccc1SCC2CCO2 62a_100000210755_100000103362 [1,0,0,1,0,0|1,1,0]=4 16077 B14R2.4634 Cc1ccccc1SCC2COC2 62a_100000210755_100010264016 [1,0,0,1,0,0|1,1,0]=4 16078 B14R2.4634 Cc1ccccc1SCC2COC2 62a_100010264016_100000210755 [1,0,0,1,0,0|1,1,0]=4 16079 B14R2.4634 Cc1ccncc1OCC2CCO2 34a_100011997053_100000103362 [1,0,0,1,0,0|2,0,0]=4 16080 B14R2.4634 Cc1ccncc1OCC2CCO2 7a_100011997053_100000103362 [1,0,0,1,0,0|2,0,0]=4 16081 B14R2.4634 Cc1ccncc1OCC2COC2 34a_100011997053_100010264016 [1,0,0,1,0,0|2,0,0]=4 16082 B14R2.4634 Cc1ccncc1OCC2COC2 7a_100011997053_100010264016 [1,0,0,1,0,0|2,0,0]=4 16083 B14R2.4634 Cc1cnccc1OCC2CCO2 34a_100000694293_100000103362 [1,0,0,1,0,0|2,0,0]=4 16084 B14R2.4634 Cc1cnccc1OCC2COC2 34a_100000694293_100010264016 [1,0,0,1,0,0|2,0,0]=4 16085 B14R2.4634 Cc1ncccc1OCC2CCO2 34a_100000745507_100000103362 [1,0,0,1,0,0|2,0,0]=4 16086 B14R2.4634 Cc1ncccc1OCC2CCO2 7a_100000745507_100000103362 [1,0,0,1,0,0|2,0,0]=4 16087 B14R2.4634 Cc1ncccc1OCC2COC2 34a_100000745507_100010264016 [1,0,0,1,0,0|2,0,0]=4 16088 B14R2.4634 Cc1ncccc1OCC2COC2 7a_100000745507_100010264016 [1,0,0,1,0,0|2,0,0]=4 16089 B14R2.4634 Clc1ccccc1OCC2CCO2 34a_100000210172_100000103362 [1,0,0,1,0,0|2,0,0]=4 16090 B14R2.4634 Clc1ccccc1OCC2CCO2 7a_100000210172_100000103362 [1,0,0,1,0,0|2,0,0]=4 16091 B14R2.4634 Clc1ccccc1OCC2COC2 34a_100000210172_100010264016 [1,0,0,1,0,0|2,0,0]=4 16092 B14R2.4634 Clc1ccccc1OCC2COC2 7a_100000210172_100010264016 [1,0,0,1,0,0|2,0,0]=4 16093 B14R2.4634 Fc1ccccc1OCC2CCO2 34a_100000210171_100000103362 [1,0,0,1,0,0|2,0,0]=4 16094 B14R2.4634 Fc1ccccc1OCC2CCO2 7a_100000210171_100000103362 [1,0,0,1,0,0|2,0,0]=4 16095 B14R2.4634 Fc1ccccc1OCC2COC2 34a_100000210171_100010264016 [1,0,0,1,0,0|2,0,0]=4 16096 B14R2.4634 Fc1ccccc1OCC2COC2 7a_100000210171_100010264016 [1,0,0,1,0,0|2,0,0]=4 16097 B14R2.4634 Ic1ccccc1OCC2CCO2 34a_100000739446_100000103362 [1,0,0,1,0,0|2,0,0]=4 16098 B14R2.4634 Ic1ccccc1OCC2CCO2 7a_100000739446_100000103362 [1,0,0,1,0,0|2,0,0]=4 16099 B14R2.4634 Ic1ccccc1OCC2COC2 34a_100000739446_100010264016 [1,0,0,1,0,0|2,0,0]=4 16100 B14R2.4634 Ic1ccccc1OCC2COC2 7a_100000739446_100010264016 [1,0,0,1,0,0|2,0,0]=4 16101 B14R2.4634 Nc1ccccc1OCC2CCO2 34a_100000185747_100000103362 [1,0,0,1,0,0|2,0,0]=4 16102 B14R2.4634 Nc1ccccc1OCC2CCO2 7a_100000185747_100000103362 [1,0,0,1,0,0|2,0,0]=4 16103 B14R2.4634 Nc1ccccc1OCC2COC2 34a_100000185747_100010264016 [1,0,0,1,0,0|2,0,0]=4 16104 B14R2.4634 Nc1ccccc1OCC2COC2 7a_100000185747_100010264016 [1,0,0,1,0,0|2,0,0]=4 16105 B14R2.4634 Oc1ccccc1NCC2CCO2 34a_100000185747_100000103362 [1,0,0,1,0,0|2,0,0]=4 16106 B14R2.4634 Oc1ccccc1NCC2COC2 34a_100000185747_100010264016 [1,0,0,1,0,0|2,0,0]=4 16107 B14R2.4634 Oc1ccccc1SCC2CCO2 62a_100000103362_100000739446 [1,0,0,1,0,0|1,1,0]=4 16108 B14R2.4634 Oc1ccccc1SCC2CCO2 62a_100000739446_100000103362 [1,0,0,1,0,0|1,1,0]=4 16109 B14R2.4634 Oc1ccccc1SCC2COC2 62a_100000739446_100010264016 [1,0,0,1,0,0|1,1,0]=4 16110 B14R2.4634 Oc1ccccc1SCC2COC2 62a_100010264016_100000739446 [1,0,0,1,0,0|1,1,0]=4 16111 B14R2.11647 CSc1cccc2c1OC(C2)CO 62a_200000210301_200102525175 [0,0,0,1,1,0|1,1,0]=4 16112 B14R2.11647 CSc1cccc2c1OC(C2)CO 62a_200102525175_200000210301 [0,0,0,1,1,0|1,1,0]=4 16113 B14R2.11647 [13CH3]Sc1cccc2c1OC(C2)CO 62a_200025704644_200102525175 [0,0,0,1,1,0|1,1,0]=4 16114 B14R2.11647 [13CH3]Sc1cccc2c1OC(C2)CO 62a_200102525175_200025704644 [0,0,0,1,1,0|1,1,0]=4 16115 B14R2.11684 CNc1cccc2c1CC(CC2)O 2230a_200000100485_200000210301 [0,0,0,1,1,0|2,0,0]=4 16116 B14R2.11684 CNc1cccc2c1CC(CC2)O 34a_200000100485_200000210301 [0,0,0,1,1,0|2,0,0]=4 16117 B14R2.11684 [13CH3]Nc1cccc2c1CC(CC2)O 2230a_200000100485_200025704644 [0,0,0,1,1,0|2,0,0]=4 16118 B14R2.11684 [13CH3]Nc1cccc2c1CC(CC2)O 34a_200000100485_200025704644 [0,0,0,1,1,0|2,0,0]=4 16119 B16R2.14 CCC(O)CNC1COc2c1cccc2 2230a_100000747519_100011218378 [0,0,0,1,0,1|2,0,0]=4 16120 B16R2.14 CCC(O)COC1CCc2c1cccc2 34a_100000212247_100011218378 [0,0,0,1,0,1|2,0,0]=4 16121 B16R2.14 CCC(O)COC1CCc2c1cccc2 7a_100000212247_100011218378 [0,0,0,1,0,1|2,0,0]=4 16122 B16R2.14 C[C@@H](CO)CNC1COc2c1cccc2 2230a_100000747519_100000059175 [0,0,0,1,0,1|2,0,0]=4 16123 B16R2.14 C[C@@H](CO)COC1CCc2c1cccc2 34a_100000212247_100000059175 [0,0,0,1,0,1|2,0,0]=4 16124 B16R2.14 C[C@@H](CO)COC1CCc2c1cccc2 7a_100000212247_100000059175 [0,0,0,1,0,1|2,0,0]=4 16125 B16R2.14 OCC(O)CNC1COc2c1cccc2 2230a_100000747519_100011219619 [0,0,0,1,0,1|1,0,0]=3 16126 B16R2.14 OCC(O)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100011219619 [0,0,0,1,0,1|2,0,0]=4 16127 B16R2.14 OCC(O)CN[C@H]1CCc2c1cccc2 34a_100016989578_100011219619 [0,0,0,1,0,1|2,0,0]=4 16128 B16R2.14 OCC(O)COC1CCc2c1cccc2 34a_100000212247_100011219619 [0,0,0,1,0,1|1,0,0]=3 16129 B16R2.14 OCC(O)COC1CCc2c1cccc2 7a_100000212247_100011219619 [0,0,0,1,0,1|1,0,0]=3 16130 B16R2.14 OCC(O)COc1csc2c1cccc2 34a_100000077758_100011219619 [0,0,0,1,0,1|0,1,1]=4 16131 B16R2.14 OCC(O)COc1csc2c1cccc2 7a_100000077758_100011219619 [0,0,0,1,0,1|0,1,1]=4 16132 B16R2.14 OCC(O)CSC1CCc2c1cccc2 62a_100011219619_200000721974 [0,0,0,1,0,1|1,1,0]=4 16133 B16R2.14 OCC(O)CSc1coc2c1cccc2 62a_100011219619_100009812202 [0,0,0,1,0,1|0,1,1]=4 16134 B16R2.14 OCC(O)CSc1noc2c1cccc2 62a_100011219619_200000703156 [0,0,0,1,0,1|1,1,0]=4 16135 B16R2.14 OCC(O)CSc1noc2c1cccc2 62a_200000703156_100011219619 [0,0,0,1,0,1|1,1,0]=4 16136 B16R2.14 OC[C@@H](O)CNC1CCc2c1cccc2 2230a_100020644852_200000721974 [0,0,0,1,0,1|2,0,0]=4 16137 B16R2.14 OC[C@@H](O)CNC1CCc2c1cccc2 269862a_100020644852_100000212051 [0,0,0,1,0,1|2,0,0]=4 16138 B16R2.14 OC[C@H](O)CNC1COc2c1cccc2 2230a_100000747519_100009815848 [0,0,0,1,0,1|1,0,0]=3 16139 B16R2.14 OC[C@H](O)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100009815848 [0,0,0,1,0,1|2,0,0]=4 16140 B16R2.14 OC[C@H](O)CN[C@H]1CCc2c1cccc2 34a_100016989578_100009815848 [0,0,0,1,0,1|2,0,0]=4 16141 B16R2.14 OC[C@H](O)COC1CCc2c1cccc2 34a_100000212247_100009815848 [0,0,0,1,0,1|1,0,0]=3 16142 B16R2.14 OC[C@H](O)COC1CCc2c1cccc2 7a_100000212247_100009815848 [0,0,0,1,0,1|1,0,0]=3 16143 B16R2.14 OC[C@H](O)COc1csc2c1cccc2 34a_100000077758_100009815848 [0,0,0,1,0,1|0,1,1]=4 16144 B16R2.14 OC[C@H](O)COc1csc2c1cccc2 7a_100000077758_100009815848 [0,0,0,1,0,1|0,1,1]=4 16145 B16R2.14 OC[C@H](O)CSC1CCc2c1cccc2 62a_100009815848_200000721974 [0,0,0,1,0,1|1,1,0]=4 16146 B16R2.14 OC[C@H](O)CSc1coc2c1cccc2 62a_100009815848_100009812202 [0,0,0,1,0,1|0,1,1]=4 16147 B16R2.14 OC[C@H](O)CSc1noc2c1cccc2 62a_100009815848_200000703156 [0,0,0,1,0,1|1,1,0]=4 16148 B16R2.14 OC[C@H](O)CSc1noc2c1cccc2 62a_200000703156_100009815848 [0,0,0,1,0,1|1,1,0]=4 16149 B16R2.14 O[C@@H](CF)CNC1COc2c1cccc2 2230a_100000747519_100015614560 [0,0,0,1,0,1|2,0,0]=4 16150 B16R2.14 O[C@@H](CF)COC1CCc2c1cccc2 34a_100000212247_100015614560 [0,0,0,1,0,1|2,0,0]=4 16151 B16R2.14 O[C@@H](CF)COC1CCc2c1cccc2 7a_100000212247_100015614560 [0,0,0,1,0,1|2,0,0]=4 16152 B16R2.26 COc1ccccc1C2=CCC(CC2)O 271570a_100010254553_100000174000 [0,0,0,1,0,1|2,0,0]=4 16153 B16R2.173 COc1ccccc1CN2CCC(C2)O 2230a_100011215560_100000210004 [0,0,0,1,0,1|2,0,0]=4 16154 B16R2.173 COc1ccccc1CN2CCC(C2)O 269982a_100011215560_100000210004 [0,0,0,1,0,1|2,0,0]=4 16155 B16R2.173 COc1ccccc1CN2CCC(C2)O 270004a_100011215560_100000169842 [0,0,0,1,0,1|2,0,0]=4 16156 B16R2.1754 COc1ccccc1COCC2CC2C 34a_100000744939_100000210004 [0,0,0,1,0,1|2,0,0]=4 16157 B16R2.1754 COc1ccccc1COCC2CC2C 7a_100000744939_100000210004 [0,0,0,1,0,1|2,0,0]=4 16158 B16R2.5347 CC(CO)NC1COc2ccccc2C1 2230a_100000739546_100012180447 [0,0,0,1,0,1|2,0,0]=4 16159 B16R2.5347 C[C@H](CO)NC1COc2ccccc2C1 270004a_100000737577_100000048293 [0,0,0,1,0,1|2,0,0]=4 16160 B16R2.5347 O=C(CO)CC1COc2ccccc2O1 1458a_100000210174_100011215957 [0,0,0,1,0,1|0,0,2]=4 16161 B16R2.5347 OCC(O)CN1CCc2ccccc2C1 2230a_100000188457_100011219619 [0,0,0,1,0,1|2,0,0]=4 16162 B16R2.5347 OCC(O)CN1CCc2ccccc2C1 34a_100000188457_100011219619 [0,0,0,1,0,1|2,0,0]=4 16163 B16R2.5347 OC[C@H](O)CN1CCc2ccccc2C1 2230a_100000188457_100009815848 [0,0,0,1,0,1|2,0,0]=4 16164 B16R2.5347 OC[C@H](O)CN1CCc2ccccc2C1 34a_100000188457_100009815848 [0,0,0,1,0,1|2,0,0]=4 16165 B16R2.36504 CCc1ccccc1COCC2(CO2)C 34a_100011663872_100000760498 [0,0,0,1,0,1|2,0,0]=4 16166 B16R2.36504 COc1ccccc1CNCC2(CC2)O 207a_100011936951_100000169842 [0,0,0,1,0,1|2,0,0]=4 16167 B16R2.36504 COc1ccccc1CNCC2(CC2)O 2230a_100011936951_100000210004 [0,0,0,1,0,1|2,0,0]=4 16168 B16R2.36504 COc1ccccc1CNCC2(CC2)O 270004a_100011936951_100000169842 [0,0,0,1,0,1|2,0,0]=4 16169 B16R2.36504 COc1ccccc1CNCC2(CO2)C 34a_100000188900_100000760498 [0,0,0,1,0,1|2,0,0]=4 16170 B16R2.36504 COc1ccccc1COCC2(CC2)C 7a_100000698024_100000210004 [0,0,0,1,0,1|2,0,0]=4 16171 B16R2.36504 COc1ccccc1COCC2(CC2)F 34a_200000703853_100000210004 [0,0,0,1,0,1|2,0,0]=4 16172 B16R2.36504 COc1ccccc1COCC2(CC2)F 7a_200000703853_100000210004 [0,0,0,1,0,1|2,0,0]=4 16173 B16R2.36504 COc1ccccc1COCC2(CO2)C 34a_100000211301_100000760498 [0,0,0,1,0,1|1,0,0]=3 16174 B16R2.36504 COc1ccccc1CSCC2(CO2)C 62a_100000210004_100000760498 [0,0,0,1,0,1|1,1,0]=4 16175 B16R2.36504 COc1ccccc1CSCC2(CO2)C 62a_100000760498_100000210004 [0,0,0,1,0,1|1,1,0]=4 16176 B16R2.36504 COc1cccnc1COCC2(CO2)C 34a_100011998681_100000760498 [0,0,0,1,0,1|2,0,0]=4 16177 B16R2.36504 COc1ncccc1COCC2(CO2)C 34a_100000717863_100000760498 [0,0,0,1,0,1|2,0,0]=4 16178 B16R2.36504 CSc1ccccc1COCC2(CO2)C 34a_100000699167_100000760498 [0,0,0,1,0,1|1,1,0]=4 16179 B16R2.39921 COc1ccccc1CN2C[C@@H]([C@@H]2C)O 2230a_206633788156_100000210004 [0,0,0,1,0,1|2,0,0]=4 16180 B16R2.39921 COc1ccccc1CN2C[C@@H]([C@@H]2C)O 269982a_206633788156_100000210004 [0,0,0,1,0,1|2,0,0]=4 16181 B16R2.39921 COc1ccccc1CN2C[C@@H]([C@@H]2C)O 270004a_206633788156_100000169842 [0,0,0,1,0,1|2,0,0]=4 16182 B16R2.39923 COc1ccccc1CN2CC(C2)CO 269982a_100016987283_100000210004 [0,0,0,1,0,1|2,0,0]=4 16183 B16R2.39923 COc1ccccc1CN2CC(C2)CO 34a_100016987283_100000210004 [0,0,0,1,0,1|2,0,0]=4 16184 B16R2.39923 COc1ccccc1SC2CC(C2)CO 62a_100000210334_100009874164 [0,0,0,1,0,1|1,1,0]=4 16185 B16R2.39923 COc1ccccc1SC2CC(C2)CO 62a_100009874164_100000210334 [0,0,0,1,0,1|1,1,0]=4 16186 B16R2.39924 CCc1ccccc1COCC2CCO2 34a_100011663872_100000103362 [0,0,0,1,0,1|2,0,0]=4 16187 B16R2.39924 CCc1ccccc1COCC2CCO2 7a_100011663872_100000103362 [0,0,0,1,0,1|2,0,0]=4 16188 B16R2.39924 CCc1ccccc1COCC2COC2 34a_100011663872_100010264016 [0,0,0,1,0,1|2,0,0]=4 16189 B16R2.39924 CCc1ccccc1COCC2COC2 7a_100011663872_100010264016 [0,0,0,1,0,1|2,0,0]=4 16190 B16R2.39924 COc1ccccc1CCNC2COC2 2230a_100016991112_100011713687 [0,0,0,1,0,1|2,0,0]=4 16191 B16R2.39924 COc1ccccc1CCNC2COC2 270004a_100016991112_100011713418 [0,0,0,1,0,1|2,0,0]=4 16192 B16R2.39924 COc1ccccc1CCNC2COC2 34a_100000211851_100009818527 [0,0,0,1,0,1|2,0,0]=4 16193 B16R2.39924 COc1ccccc1CCOC2COC2 34a_100011218620_100009818527 [0,0,0,1,0,1|2,0,0]=4 16194 B16R2.39924 COc1ccccc1CCOC2COC2 7a_100011218620_100009818527 [0,0,0,1,0,1|2,0,0]=4 16195 B16R2.39924 COc1ccccc1CCSC2COC2 62a_100011713687_100009818527 [0,0,0,1,0,1|2,0,0]=4 16196 B16R2.39924 COc1ccccc1CNCC2CCO2 34a_100000188900_100000103362 [0,0,0,1,0,1|2,0,0]=4 16197 B16R2.39924 COc1ccccc1CNCC2COC2 207a_100015281925_100000169842 [0,0,0,1,0,1|2,0,0]=4 16198 B16R2.39924 COc1ccccc1CNCC2COC2 2230a_100015281925_100000210004 [0,0,0,1,0,1|2,0,0]=4 16199 B16R2.39924 COc1ccccc1CNCC2COC2 270004a_100015281925_100000169842 [0,0,0,1,0,1|2,0,0]=4 16200 B16R2.39924 COc1ccccc1CNCC2COC2 34a_100000188900_100010264016 [0,0,0,1,0,1|2,0,0]=4 16201 B16R2.39924 COc1ccccc1CNCC2COC2 34a_100015281925_100000210004 [0,0,0,1,0,1|2,0,0]=4 16202 B16R2.39924 COc1ccccc1CNC[C@@H]2CCO2 207a_100020831831_100000169842 [0,0,0,1,0,1|2,0,0]=4 16203 B16R2.39924 COc1ccccc1CNC[C@@H]2CCO2 2230a_100020831831_100000210004 [0,0,0,1,0,1|2,0,0]=4 16204 B16R2.39924 COc1ccccc1CNC[C@@H]2CCO2 270004a_100020831831_100000169842 [0,0,0,1,0,1|2,0,0]=4 16205 B16R2.39924 COc1ccccc1CNC[C@@H]2CCO2 34a_100020831831_100000210004 [0,0,0,1,0,1|2,0,0]=4 16206 B16R2.39924 COc1ccccc1COCC2CCC2 34a_100000211301_100000763275 [0,0,0,1,0,1|2,0,0]=4 16207 B16R2.39924 COc1ccccc1COCC2CCC2 34a_100000760304_100000210004 [0,0,0,1,0,1|2,0,0]=4 16208 B16R2.39924 COc1ccccc1COCC2CCO2 34a_100000039022_100000210004 [0,0,0,1,0,1|1,0,0]=3 16209 B16R2.39924 COc1ccccc1COCC2CCO2 34a_100000211301_100000103362 [0,0,0,1,0,1|1,0,0]=3 16210 B16R2.39924 COc1ccccc1COCC2CNC2 34a_100016987283_100000210004 [0,0,0,1,0,1|2,0,0]=4 16211 B16R2.39924 COc1ccccc1COCC2COC2 34a_100000060846_100000210004 [0,0,0,1,0,1|1,0,0]=3 16212 B16R2.39924 COc1ccccc1COCC2COC2 34a_100000211301_100010264016 [0,0,0,1,0,1|1,0,0]=3 16213 B16R2.39924 COc1ccccc1CSCC2CCO2 62a_100000103362_100000210004 [0,0,0,1,0,1|1,1,0]=4 16214 B16R2.39924 COc1ccccc1CSCC2CCO2 62a_100000210004_100000103362 [0,0,0,1,0,1|1,1,0]=4 16215 B16R2.39924 COc1ccccc1CSCC2COC2 62a_100000210004_100010264016 [0,0,0,1,0,1|1,1,0]=4 16216 B16R2.39924 COc1ccccc1CSCC2COC2 62a_100010264016_100000210004 [0,0,0,1,0,1|1,1,0]=4 16217 B16R2.39924 COc1cccnc1COCC2CCO2 34a_100011998681_100000103362 [0,0,0,1,0,1|2,0,0]=4 16218 B16R2.39924 COc1cccnc1COCC2COC2 34a_100011998681_100010264016 [0,0,0,1,0,1|2,0,0]=4 16219 B16R2.39924 COc1ncccc1COCC2CCO2 34a_100000039022_100020631285 [0,0,0,1,0,1|2,0,0]=4 16220 B16R2.39924 COc1ncccc1COCC2CCO2 34a_100000717863_100000103362 [0,0,0,1,0,1|2,0,0]=4 16221 B16R2.39924 COc1ncccc1COCC2COC2 34a_100000060846_100020631285 [0,0,0,1,0,1|2,0,0]=4 16222 B16R2.39924 COc1ncccc1COCC2COC2 34a_100000717863_100010264016 [0,0,0,1,0,1|2,0,0]=4 16223 B16R2.39924 CSc1ccccc1COCC2CCO2 34a_100000039022_100000699184 [0,0,0,1,0,1|1,1,0]=4 16224 B16R2.39924 CSc1ccccc1COCC2CCO2 34a_100000699167_100000103362 [0,0,0,1,0,1|1,1,0]=4 16225 B16R2.39924 CSc1ccccc1COCC2COC2 34a_100000060846_100000699184 [0,0,0,1,0,1|1,1,0]=4 16226 B16R2.39924 CSc1ccccc1COCC2COC2 34a_100000699167_100010264016 [0,0,0,1,0,1|1,1,0]=4 16227 B16R2.7877 COc1ccccc1OCC2CC2(F)F 34a_100000210385_100009817841 [0,1,0,1,0,0|2,0,0]=4 16228 B16R2.4144 OCC(O)CNc1ccccc1C2CC2 34a_100011236190_100011219619 [0,1,0,1,0,0|2,0,0]=4 16229 B16R2.4144 OCC(O)CSc1ccccc1C2CC2 62a_100009819954_100011219619 [0,1,0,1,0,0|1,1,0]=4 16230 B16R2.4144 OCC(O)CSc1ccccc1C2CC2 62a_100011219619_100009819954 [0,1,0,1,0,0|1,1,0]=4 16231 B16R2.4144 OC[C@H](O)CNc1ccccc1C2CC2 34a_100011236190_100009815848 [0,1,0,1,0,0|2,0,0]=4 16232 B16R2.4144 OC[C@H](O)CSc1ccccc1C2CC2 62a_100009815848_100009819954 [0,1,0,1,0,0|1,1,0]=4 16233 B16R2.4144 OC[C@H](O)CSc1ccccc1C2CC2 62a_100009819954_100009815848 [0,1,0,1,0,0|1,1,0]=4 16234 B16R2.6614 C/C=C/c1ccccc1OCC2(CO2)C 34a_200000189419_100000760498 [0,1,0,1,0,0|2,0,0]=4 16235 B16R2.6614 CC1(CO1)COc2ccccc2CCBr 34a_100000722297_100000760498 [0,1,0,1,0,0|2,0,0]=4 16236 B16R2.6614 CC1(CO1)COc2ccccc2CCN 34a_100011207237_100000760498 [0,1,0,1,0,0|2,0,0]=4 16237 B16R2.6614 CC1(CO1)COc2ccccc2CCO 34a_100000719421_100000760498 [0,1,0,1,0,0|2,0,0]=4 16238 B16R2.6614 CCCc1ccccc1OCC2(CO2)C 34a_100011217252_100000760498 [0,1,0,1,0,0|2,0,0]=4 16239 B16R2.6614 CCNc1ccccc1OCC2(CO2)C 34a_103624766699_100000760498 [0,1,0,1,0,0|2,0,0]=4 16240 B16R2.6614 CCOc1ccccc1NCC2(CO2)C 34a_100000211218_100000760498 [0,1,0,1,0,0|2,0,0]=4 16241 B16R2.6614 CCOc1ccccc1OCC2(CO2)C 34a_100000211404_100000760498 [0,1,0,1,0,0|1,0,0]=3 16242 B16R2.6614 CCOc1ccccc1SCC2(CO2)C 62a_100000230754_100000760498 [0,1,0,1,0,0|1,1,0]=4 16243 B16R2.6614 CCOc1ccccc1SCC2(CO2)C 62a_100000760498_100000230754 [0,1,0,1,0,0|1,1,0]=4 16244 B16R2.6614 CCOc1ncccc1OCC2(CO2)C 34a_100011998697_100000760498 [0,1,0,1,0,0|2,0,0]=4 16245 B16R2.6614 CNCc1ccccc1OCC2(CO2)C 34a_100015189988_100000760498 [0,1,0,1,0,0|2,0,0]=4 16246 B16R2.6614 COCc1ccccc1OCC2(CO2)C 34a_100011488565_100000760498 [0,1,0,1,0,0|1,0,0]=3 16247 B16R2.6614 COCc1ccccc1SCC2(CO2)C 62a_100000760498_100011493684 [0,1,0,1,0,0|1,1,0]=4 16248 B16R2.6614 COCc1ccccc1SCC2(CO2)C 62a_100011493684_100000760498 [0,1,0,1,0,0|1,1,0]=4 16249 B16R2.28409 BrCCc1ccccc1OCC2CCO2 34a_100000722297_100000103362 [0,1,0,1,0,0|2,0,0]=4 16250 B16R2.28409 BrCCc1ccccc1OCC2CCO2 7a_100000722297_100000103362 [0,1,0,1,0,0|2,0,0]=4 16251 B16R2.28409 BrCCc1ccccc1OCC2COC2 34a_100000722297_100010264016 [0,1,0,1,0,0|2,0,0]=4 16252 B16R2.28409 BrCCc1ccccc1OCC2COC2 7a_100000722297_100010264016 [0,1,0,1,0,0|2,0,0]=4 16253 B16R2.28409 C/C=C/c1ccccc1OCC2CCO2 34a_200000189419_100000103362 [0,1,0,1,0,0|2,0,0]=4 16254 B16R2.28409 C/C=C/c1ccccc1OCC2CCO2 7a_200000189419_100000103362 [0,1,0,1,0,0|2,0,0]=4 16255 B16R2.28409 C/C=C/c1ccccc1OCC2COC2 34a_200000189419_100010264016 [0,1,0,1,0,0|2,0,0]=4 16256 B16R2.28409 C/C=C/c1ccccc1OCC2COC2 7a_200000189419_100010264016 [0,1,0,1,0,0|2,0,0]=4 16257 B16R2.28409 CCCc1ccccc1OCC2CCO2 34a_100011217252_100000103362 [0,1,0,1,0,0|2,0,0]=4 16258 B16R2.28409 CCCc1ccccc1OCC2CCO2 7a_100011217252_100000103362 [0,1,0,1,0,0|2,0,0]=4 16259 B16R2.28409 CCCc1ccccc1OCC2COC2 34a_100011217252_100010264016 [0,1,0,1,0,0|2,0,0]=4 16260 B16R2.28409 CCCc1ccccc1OCC2COC2 7a_100011217252_100010264016 [0,1,0,1,0,0|2,0,0]=4 16261 B16R2.28409 CCNc1ccccc1OCC2CCO2 34a_103624766699_100000103362 [0,1,0,1,0,0|2,0,0]=4 16262 B16R2.28409 CCNc1ccccc1OCC2CCO2 7a_103624766699_100000103362 [0,1,0,1,0,0|2,0,0]=4 16263 B16R2.28409 CCNc1ccccc1OCC2COC2 34a_103624766699_100010264016 [0,1,0,1,0,0|2,0,0]=4 16264 B16R2.28409 CCNc1ccccc1OCC2COC2 7a_103624766699_100010264016 [0,1,0,1,0,0|2,0,0]=4 16265 B16R2.28409 CCOc1ccccc1NCC2CCO2 34a_100000211218_100000103362 [0,1,0,1,0,0|2,0,0]=4 16266 B16R2.28409 CCOc1ccccc1NCC2COC2 34a_100000211218_100010264016 [0,1,0,1,0,0|2,0,0]=4 16267 B16R2.28409 CCOc1ccccc1OCC2CCC2 34a_100000211404_100000763275 [0,1,0,1,0,0|2,0,0]=4 16268 B16R2.28409 CCOc1ccccc1OCC2CCC2 7a_100000211404_100000763275 [0,1,0,1,0,0|2,0,0]=4 16269 B16R2.28409 CCOc1ccccc1OCC2CCO2 34a_100000211404_100000103362 [0,1,0,1,0,0|1,0,0]=3 16270 B16R2.28409 CCOc1ccccc1OCC2CCO2 7a_100000211404_100000103362 [0,1,0,1,0,0|1,0,0]=3 16271 B16R2.28409 CCOc1ccccc1OCC2COC2 34a_100000211404_100010264016 [0,1,0,1,0,0|1,0,0]=3 16272 B16R2.28409 CCOc1ccccc1OCC2COC2 7a_100000211404_100010264016 [0,1,0,1,0,0|1,0,0]=3 16273 B16R2.28409 CCOc1ccccc1SCC2CCO2 62a_100000103362_100000230754 [0,1,0,1,0,0|1,1,0]=4 16274 B16R2.28409 CCOc1ccccc1SCC2CCO2 62a_100000230754_100000103362 [0,1,0,1,0,0|1,1,0]=4 16275 B16R2.28409 CCOc1ccccc1SCC2COC2 62a_100000230754_100010264016 [0,1,0,1,0,0|1,1,0]=4 16276 B16R2.28409 CCOc1ccccc1SCC2COC2 62a_100010264016_100000230754 [0,1,0,1,0,0|1,1,0]=4 16277 B16R2.28409 CCOc1ncccc1OCC2CCO2 34a_100011998697_100000103362 [0,1,0,1,0,0|2,0,0]=4 16278 B16R2.28409 CCOc1ncccc1OCC2COC2 34a_100011998697_100010264016 [0,1,0,1,0,0|2,0,0]=4 16279 B16R2.28409 CNCc1ccccc1OCC2CCO2 34a_100015189988_100000103362 [0,1,0,1,0,0|2,0,0]=4 16280 B16R2.28409 CNCc1ccccc1OCC2COC2 34a_100015189988_100010264016 [0,1,0,1,0,0|2,0,0]=4 16281 B16R2.28409 COCc1ccccc1OCC2CCC2 34a_100011488565_100000763275 [0,1,0,1,0,0|2,0,0]=4 16282 B16R2.28409 COCc1ccccc1OCC2CCC2 7a_100011488565_100000763275 [0,1,0,1,0,0|2,0,0]=4 16283 B16R2.28409 COCc1ccccc1OCC2CCO2 34a_100011488565_100000103362 [0,1,0,1,0,0|1,0,0]=3 16284 B16R2.28409 COCc1ccccc1OCC2CCO2 7a_100011488565_100000103362 [0,1,0,1,0,0|1,0,0]=3 16285 B16R2.28409 COCc1ccccc1OCC2COC2 34a_100011488565_100010264016 [0,1,0,1,0,0|1,0,0]=3 16286 B16R2.28409 COCc1ccccc1OCC2COC2 7a_100011488565_100010264016 [0,1,0,1,0,0|1,0,0]=3 16287 B16R2.28409 COCc1ccccc1SCC2CCO2 62a_100000103362_100011493684 [0,1,0,1,0,0|1,1,0]=4 16288 B16R2.28409 COCc1ccccc1SCC2CCO2 62a_100011493684_100000103362 [0,1,0,1,0,0|1,1,0]=4 16289 B16R2.28409 COCc1ccccc1SCC2COC2 62a_100010264016_100011493684 [0,1,0,1,0,0|1,1,0]=4 16290 B16R2.28409 COCc1ccccc1SCC2COC2 62a_100011493684_100010264016 [0,1,0,1,0,0|1,1,0]=4 16291 B16R2.28409 NCCc1ccccc1OCC2CCO2 34a_100011207237_100000103362 [0,1,0,1,0,0|2,0,0]=4 16292 B16R2.28409 NCCc1ccccc1OCC2COC2 34a_100011207237_100010264016 [0,1,0,1,0,0|2,0,0]=4 16293 B16R2.28409 OCCc1ccccc1OCC2CCO2 34a_100000719421_100000103362 [0,1,0,1,0,0|2,0,0]=4 16294 B16R2.28409 OCCc1ccccc1OCC2CCO2 7a_100000719421_100000103362 [0,1,0,1,0,0|2,0,0]=4 16295 B16R2.28409 OCCc1ccccc1OCC2COC2 34a_100000719421_100010264016 [0,1,0,1,0,0|2,0,0]=4 16296 B16R2.28409 OCCc1ccccc1OCC2COC2 7a_100000719421_100010264016 [0,1,0,1,0,0|2,0,0]=4 16297 B16R2.33648 C=CC(O)COc1cccc2c1OCO2 34a_100000046630_100000730141 [0,1,0,1,0,0|1,0,1]=4 16298 B16R2.33648 C=CC(O)COc1cccc2c1OCO2 7a_100000046630_100000730141 [0,1,0,1,0,0|1,0,1]=4 16299 B16R2.33648 CCC(C)COc1cccc2c1OCO2 34a_100000046630_100000748023 [0,1,0,1,0,0|2,0,0]=4 16300 B16R2.33648 CCC(C)COc1cccc2c1OCO2 7a_100000046630_100000748023 [0,1,0,1,0,0|2,0,0]=4 16301 B16R2.33648 CCC(O)CNc1cccc2c1COC2 2230a_100000125316_100011218378 [0,1,0,1,0,0|2,0,0]=4 16302 B16R2.33648 CCC(O)CNc1cccc2c1COC2 34a_100000125316_100011218378 [0,1,0,1,0,0|2,0,0]=4 16303 B16R2.33648 CCC(O)CNc1cccc2c1OCC2 2230a_100000102157_100011218378 [0,1,0,1,0,0|2,0,0]=4 16304 B16R2.33648 CCC(O)CNc1cccc2c1OCC2 34a_100000102157_100011218378 [0,1,0,1,0,0|2,0,0]=4 16305 B16R2.33648 CCC(O)CNc1cccc2c1OCO2 2230a_100000699912_100011218378 [0,1,0,1,0,0|2,0,0]=4 16306 B16R2.33648 CCC(O)CNc1cccc2c1OCO2 34a_100000699912_100011218378 [0,1,0,1,0,0|2,0,0]=4 16307 B16R2.33648 CCC(O)COc1cccc2c1CCC2 34a_100000074356_100011218378 [0,1,0,1,0,0|2,0,0]=4 16308 B16R2.33648 CCC(O)COc1cccc2c1CCC2 7a_100000074356_100011218378 [0,1,0,1,0,0|2,0,0]=4 16309 B16R2.33648 CCC(O)COc1cccc2c1CCN2 34a_100000703684_100011218378 [0,1,0,1,0,0|2,0,0]=4 16310 B16R2.33648 CCC(O)COc1cccc2c1CCO2 34a_100000090053_100011218378 [0,1,0,1,0,0|2,0,0]=4 16311 B16R2.33648 CCC(O)COc1cccc2c1CCO2 7a_100000090053_100011218378 [0,1,0,1,0,0|2,0,0]=4 16312 B16R2.33648 CCC(O)COc1cccc2c1CNC2 34a_100015191671_100011218378 [0,1,0,1,0,0|2,0,0]=4 16313 B16R2.33648 CCC(O)COc1cccc2c1OCO2 34a_100000046630_100011218378 [0,1,0,1,0,0|1,0,0]=3 16314 B16R2.33648 CCC(O)COc1cccc2c1OCO2 7a_100000046630_100011218378 [0,1,0,1,0,0|1,0,0]=3 16315 B16R2.33648 CCC(O)CSc1cccc2c1COC2 62a_100010384907_100011218378 [0,1,0,1,0,0|1,1,0]=4 16316 B16R2.33648 CCC(O)CSc1cccc2c1COC2 62a_100011218378_100010384907 [0,1,0,1,0,0|1,1,0]=4 16317 B16R2.33648 CCC(O)CSc1cccc2c1OCC2 62a_100009818991_100011218378 [0,1,0,1,0,0|1,1,0]=4 16318 B16R2.33648 CCC(O)CSc1cccc2c1OCC2 62a_100011218378_100009818991 [0,1,0,1,0,0|1,1,0]=4 16319 B16R2.33648 CC[C@H](C)COc1cccc2c1OCO2 34a_100000046630_100009816398 [0,1,0,1,0,0|2,0,0]=4 16320 B16R2.33648 CC[C@H](C)COc1cccc2c1OCO2 7a_100000046630_100009816398 [0,1,0,1,0,0|2,0,0]=4 16321 B16R2.33648 C[C@@H](CO)CNc1cccc2c1COC2 2230a_100000125316_100000059175 [0,1,0,1,0,0|2,0,0]=4 16322 B16R2.33648 C[C@@H](CO)CNc1cccc2c1COC2 34a_100000125316_100000059175 [0,1,0,1,0,0|2,0,0]=4 16323 B16R2.33648 C[C@@H](CO)CNc1cccc2c1OCC2 2230a_100000102157_100000059175 [0,1,0,1,0,0|2,0,0]=4 16324 B16R2.33648 C[C@@H](CO)CNc1cccc2c1OCC2 34a_100000102157_100000059175 [0,1,0,1,0,0|2,0,0]=4 16325 B16R2.33648 C[C@@H](CO)CNc1cccc2c1OCO2 2230a_100000699912_100000059175 [0,1,0,1,0,0|2,0,0]=4 16326 B16R2.33648 C[C@@H](CO)CNc1cccc2c1OCO2 34a_100000699912_100000059175 [0,1,0,1,0,0|2,0,0]=4 16327 B16R2.33648 C[C@@H](CO)COc1cccc2c1CCC2 34a_100000074356_100000059175 [0,1,0,1,0,0|2,0,0]=4 16328 B16R2.33648 C[C@@H](CO)COc1cccc2c1CCC2 7a_100000074356_100000059175 [0,1,0,1,0,0|2,0,0]=4 16329 B16R2.33648 C[C@@H](CO)COc1cccc2c1CCN2 34a_100000703684_100000059175 [0,1,0,1,0,0|2,0,0]=4 16330 B16R2.33648 C[C@@H](CO)COc1cccc2c1CCO2 34a_100000090053_100000059175 [0,1,0,1,0,0|2,0,0]=4 16331 B16R2.33648 C[C@@H](CO)COc1cccc2c1CCO2 7a_100000090053_100000059175 [0,1,0,1,0,0|2,0,0]=4 16332 B16R2.33648 C[C@@H](CO)COc1cccc2c1CNC2 34a_100015191671_100000059175 [0,1,0,1,0,0|2,0,0]=4 16333 B16R2.33648 C[C@@H](CO)COc1cccc2c1OCO2 34a_100000046630_100000059175 [0,1,0,1,0,0|1,0,0]=3 16334 B16R2.33648 C[C@@H](CO)COc1cccc2c1OCO2 7a_100000046630_100000059175 [0,1,0,1,0,0|1,0,0]=3 16335 B16R2.33648 C[C@@H](CO)CSc1cccc2c1COC2 62a_100000059175_100010384907 [0,1,0,1,0,0|1,1,0]=4 16336 B16R2.33648 C[C@@H](CO)CSc1cccc2c1COC2 62a_100010384907_100000059175 [0,1,0,1,0,0|1,1,0]=4 16337 B16R2.33648 C[C@@H](CO)CSc1cccc2c1OCC2 62a_100000059175_100009818991 [0,1,0,1,0,0|1,1,0]=4 16338 B16R2.33648 C[C@@H](CO)CSc1cccc2c1OCC2 62a_100009818991_100000059175 [0,1,0,1,0,0|1,1,0]=4 16339 B16R2.33648 OCC(O)CNc1cccc2c1CCC2 2230a_100000043548_100011219619 [0,1,0,1,0,0|2,0,0]=4 16340 B16R2.33648 OCC(O)CNc1cccc2c1CCC2 34a_100000043548_100011219619 [0,1,0,1,0,0|2,0,0]=4 16341 B16R2.33648 OCC(O)CNc1cccc2c1CCO2 2230a_100000084147_100011219619 [0,1,0,1,0,0|2,0,0]=4 16342 B16R2.33648 OCC(O)CNc1cccc2c1CCO2 34a_100000084147_100011219619 [0,1,0,1,0,0|2,0,0]=4 16343 B16R2.33648 OCC(O)CNc1cccc2c1COC2 2230a_100000125316_100011219619 [0,1,0,1,0,0|1,0,0]=3 16344 B16R2.33648 OCC(O)CNc1cccc2c1COC2 34a_100000125316_100011219619 [0,1,0,1,0,0|1,0,0]=3 16345 B16R2.33648 OCC(O)CNc1cccc2c1OCC2 2230a_100000102157_100011219619 [0,1,0,1,0,0|1,0,0]=3 16346 B16R2.33648 OCC(O)CNc1cccc2c1OCC2 34a_100000102157_100011219619 [0,1,0,1,0,0|1,0,0]=3 16347 B16R2.33648 OCC(O)CNc1cccc2c1OCO2 2230a_100000699912_100011219619 [0,1,0,1,0,0|1,0,0]=3 16348 B16R2.33648 OCC(O)CNc1cccc2c1OCO2 34a_100000699912_100011219619 [0,1,0,1,0,0|1,0,0]=3 16349 B16R2.33648 OCC(O)COc1cccc2c1CCC2 34a_100000074356_100011219619 [0,1,0,1,0,0|1,0,0]=3 16350 B16R2.33648 OCC(O)COc1cccc2c1CCC2 7a_100000074356_100011219619 [0,1,0,1,0,0|1,0,0]=3 16351 B16R2.33648 OCC(O)COc1cccc2c1CCN2 34a_100000703684_100011219619 [0,1,0,1,0,0|1,0,0]=3 16352 B16R2.33648 OCC(O)COc1cccc2c1CCO2 34a_100000090053_100011219619 [0,1,0,1,0,0|1,0,0]=3 16353 B16R2.33648 OCC(O)COc1cccc2c1CCO2 7a_100000090053_100011219619 [0,1,0,1,0,0|1,0,0]=3 16354 B16R2.33648 OCC(O)COc1cccc2c1CNC2 34a_100015191671_100011219619 [0,1,0,1,0,0|1,0,0]=3 16355 B16R2.33648 OCC(O)COc1cccc2c1OCO2 34a_100000046630_100011219619 [0,1,0,1,0,0|0,0,0]=2 16356 B16R2.33648 OCC(O)COc1cccc2c1OCO2 7a_100000046630_100011219619 [0,1,0,1,0,0|0,0,0]=2 16357 B16R2.33648 OCC(O)COc1cccc2c1cc[nH]2 34a_100000763377_100011219619 [0,1,0,1,0,0|1,0,1]=4 16358 B16R2.33648 OCC(O)COc1cccc2c1ccs2 34a_100000077759_100011219619 [0,1,0,1,0,0|1,0,1]=4 16359 B16R2.33648 OCC(O)COc1cccc2c1ccs2 7a_100000077759_100011219619 [0,1,0,1,0,0|1,0,1]=4 16360 B16R2.33648 OCC(O)COc1cccc2c1ncs2 34a_100000101385_100011219619 [0,1,0,1,0,0|1,0,1]=4 16361 B16R2.33648 OCC(O)COc1cccc2c1ncs2 7a_100000101385_100011219619 [0,1,0,1,0,0|1,0,1]=4 16362 B16R2.33648 OCC(O)CSc1cccc2c1CCC2 62a_100010343934_100011219619 [0,1,0,1,0,0|1,1,0]=4 16363 B16R2.33648 OCC(O)CSc1cccc2c1CCC2 62a_100011219619_100010343934 [0,1,0,1,0,0|1,1,0]=4 16364 B16R2.33648 OCC(O)CSc1cccc2c1CCN2 62a_100009817896_100011219619 [0,1,0,1,0,0|1,1,0]=4 16365 B16R2.33648 OCC(O)CSc1cccc2c1CCN2 62a_100011219619_100009817896 [0,1,0,1,0,0|1,1,0]=4 16366 B16R2.33648 OCC(O)CSc1cccc2c1CCO2 62a_100009819624_100011219619 [0,1,0,1,0,0|1,1,0]=4 16367 B16R2.33648 OCC(O)CSc1cccc2c1CCO2 62a_100011219619_100009819624 [0,1,0,1,0,0|1,1,0]=4 16368 B16R2.33648 OCC(O)CSc1cccc2c1CNC2 62a_100000703859_100011219619 [0,1,0,1,0,0|1,1,0]=4 16369 B16R2.33648 OCC(O)CSc1cccc2c1CNC2 62a_100011219619_100000703859 [0,1,0,1,0,0|1,1,0]=4 16370 B16R2.33648 OCC(O)CSc1cccc2c1COC2 62a_100010384907_100011219619 [0,1,0,1,0,0|0,1,0]=3 16371 B16R2.33648 OCC(O)CSc1cccc2c1COC2 62a_100011219619_100010384907 [0,1,0,1,0,0|0,1,0]=3 16372 B16R2.33648 OCC(O)CSc1cccc2c1NCC2 62a_100011219619_100016995435 [0,1,0,1,0,0|1,1,0]=4 16373 B16R2.33648 OCC(O)CSc1cccc2c1NCC2 62a_100016995435_100011219619 [0,1,0,1,0,0|1,1,0]=4 16374 B16R2.33648 OCC(O)CSc1cccc2c1OCC2 62a_100009818991_100011219619 [0,1,0,1,0,0|0,1,0]=3 16375 B16R2.33648 OCC(O)CSc1cccc2c1OCC2 62a_100011219619_100009818991 [0,1,0,1,0,0|0,1,0]=3 16376 B16R2.33648 OCC(O)CSc1cccc2c1non2 62a_100009820244_100011219619 [0,1,0,1,0,0|1,1,0]=4 16377 B16R2.33648 OCC(O)CSc1cccc2c1non2 62a_100011219619_100009820244 [0,1,0,1,0,0|1,1,0]=4 16378 B16R2.33648 OCC(O)CSc1cccc2c1occ2 62a_100011219619_100011935138 [0,1,0,1,0,0|0,1,1]=4 16379 B16R2.33648 OCC(O)CSc1cccc2c1ocn2 62a_100011219619_100000728214 [0,1,0,1,0,0|0,1,1]=4 16380 B16R2.33648 OCC(O)CSc1cccc2c1onc2 62a_100011219619_100000765530 [0,1,0,1,0,0|0,1,1]=4 16381 B16R2.33648 OC[C@@H](O)CNc1cccc2c1non2 27a_100020644852_100009820244 [0,1,0,1,0,0|2,0,0]=4 16382 B16R2.33648 OC[C@H](O)CNc1cccc2c1CCC2 2230a_100000043548_100009815848 [0,1,0,1,0,0|2,0,0]=4 16383 B16R2.33648 OC[C@H](O)CNc1cccc2c1CCC2 34a_100000043548_100009815848 [0,1,0,1,0,0|2,0,0]=4 16384 B16R2.33648 OC[C@H](O)CNc1cccc2c1CCO2 2230a_100000084147_100009815848 [0,1,0,1,0,0|2,0,0]=4 16385 B16R2.33648 OC[C@H](O)CNc1cccc2c1CCO2 34a_100000084147_100009815848 [0,1,0,1,0,0|2,0,0]=4 16386 B16R2.33648 OC[C@H](O)CNc1cccc2c1COC2 2230a_100000125316_100009815848 [0,1,0,1,0,0|1,0,0]=3 16387 B16R2.33648 OC[C@H](O)CNc1cccc2c1COC2 34a_100000125316_100009815848 [0,1,0,1,0,0|1,0,0]=3 16388 B16R2.33648 OC[C@H](O)CNc1cccc2c1OCC2 2230a_100000102157_100009815848 [0,1,0,1,0,0|1,0,0]=3 16389 B16R2.33648 OC[C@H](O)CNc1cccc2c1OCC2 34a_100000102157_100009815848 [0,1,0,1,0,0|1,0,0]=3 16390 B16R2.33648 OC[C@H](O)CNc1cccc2c1OCO2 2230a_100000699912_100009815848 [0,1,0,1,0,0|1,0,0]=3 16391 B16R2.33648 OC[C@H](O)CNc1cccc2c1OCO2 34a_100000699912_100009815848 [0,1,0,1,0,0|1,0,0]=3 16392 B16R2.33648 OC[C@H](O)COc1cccc2c1CCC2 34a_100000074356_100009815848 [0,1,0,1,0,0|1,0,0]=3 16393 B16R2.33648 OC[C@H](O)COc1cccc2c1CCC2 7a_100000074356_100009815848 [0,1,0,1,0,0|1,0,0]=3 16394 B16R2.33648 OC[C@H](O)COc1cccc2c1CCN2 34a_100000703684_100009815848 [0,1,0,1,0,0|1,0,0]=3 16395 B16R2.33648 OC[C@H](O)COc1cccc2c1CCO2 34a_100000090053_100009815848 [0,1,0,1,0,0|1,0,0]=3 16396 B16R2.33648 OC[C@H](O)COc1cccc2c1CCO2 7a_100000090053_100009815848 [0,1,0,1,0,0|1,0,0]=3 16397 B16R2.33648 OC[C@H](O)COc1cccc2c1CNC2 34a_100015191671_100009815848 [0,1,0,1,0,0|1,0,0]=3 16398 B16R2.33648 OC[C@H](O)COc1cccc2c1OCO2 34a_100000046630_100009815848 [0,1,0,1,0,0|0,0,0]=2 16399 B16R2.33648 OC[C@H](O)COc1cccc2c1OCO2 7a_100000046630_100009815848 [0,1,0,1,0,0|0,0,0]=2 16400 B16R2.33648 OC[C@H](O)COc1cccc2c1cc[nH]2 34a_100000763377_100009815848 [0,1,0,1,0,0|1,0,1]=4 16401 B16R2.33648 OC[C@H](O)COc1cccc2c1ccs2 34a_100000077759_100009815848 [0,1,0,1,0,0|1,0,1]=4 16402 B16R2.33648 OC[C@H](O)COc1cccc2c1ccs2 7a_100000077759_100009815848 [0,1,0,1,0,0|1,0,1]=4 16403 B16R2.33648 OC[C@H](O)COc1cccc2c1ncs2 34a_100000101385_100009815848 [0,1,0,1,0,0|1,0,1]=4 16404 B16R2.33648 OC[C@H](O)COc1cccc2c1ncs2 7a_100000101385_100009815848 [0,1,0,1,0,0|1,0,1]=4 16405 B16R2.33648 OC[C@H](O)CSc1cccc2c1CCC2 62a_100009815848_100010343934 [0,1,0,1,0,0|1,1,0]=4 16406 B16R2.33648 OC[C@H](O)CSc1cccc2c1CCC2 62a_100010343934_100009815848 [0,1,0,1,0,0|1,1,0]=4 16407 B16R2.33648 OC[C@H](O)CSc1cccc2c1CCN2 62a_100009815848_100009817896 [0,1,0,1,0,0|1,1,0]=4 16408 B16R2.33648 OC[C@H](O)CSc1cccc2c1CCN2 62a_100009817896_100009815848 [0,1,0,1,0,0|1,1,0]=4 16409 B16R2.33648 OC[C@H](O)CSc1cccc2c1CCO2 62a_100009815848_100009819624 [0,1,0,1,0,0|1,1,0]=4 16410 B16R2.33648 OC[C@H](O)CSc1cccc2c1CCO2 62a_100009819624_100009815848 [0,1,0,1,0,0|1,1,0]=4 16411 B16R2.33648 OC[C@H](O)CSc1cccc2c1CNC2 62a_100000703859_100009815848 [0,1,0,1,0,0|1,1,0]=4 16412 B16R2.33648 OC[C@H](O)CSc1cccc2c1CNC2 62a_100009815848_100000703859 [0,1,0,1,0,0|1,1,0]=4 16413 B16R2.33648 OC[C@H](O)CSc1cccc2c1COC2 62a_100009815848_100010384907 [0,1,0,1,0,0|0,1,0]=3 16414 B16R2.33648 OC[C@H](O)CSc1cccc2c1COC2 62a_100010384907_100009815848 [0,1,0,1,0,0|0,1,0]=3 16415 B16R2.33648 OC[C@H](O)CSc1cccc2c1NCC2 62a_100009815848_100016995435 [0,1,0,1,0,0|1,1,0]=4 16416 B16R2.33648 OC[C@H](O)CSc1cccc2c1NCC2 62a_100016995435_100009815848 [0,1,0,1,0,0|1,1,0]=4 16417 B16R2.33648 OC[C@H](O)CSc1cccc2c1OCC2 62a_100009815848_100009818991 [0,1,0,1,0,0|0,1,0]=3 16418 B16R2.33648 OC[C@H](O)CSc1cccc2c1OCC2 62a_100009818991_100009815848 [0,1,0,1,0,0|0,1,0]=3 16419 B16R2.33648 OC[C@H](O)CSc1cccc2c1non2 62a_100009815848_100009820244 [0,1,0,1,0,0|1,1,0]=4 16420 B16R2.33648 OC[C@H](O)CSc1cccc2c1non2 62a_100009820244_100009815848 [0,1,0,1,0,0|1,1,0]=4 16421 B16R2.33648 OC[C@H](O)CSc1cccc2c1occ2 62a_100009815848_100011935138 [0,1,0,1,0,0|0,1,1]=4 16422 B16R2.33648 OC[C@H](O)CSc1cccc2c1ocn2 62a_100009815848_100000728214 [0,1,0,1,0,0|0,1,1]=4 16423 B16R2.33648 OC[C@H](O)CSc1cccc2c1onc2 62a_100009815848_100000765530 [0,1,0,1,0,0|0,1,1]=4 16424 B16R2.33648 O[C@@H](CF)CNc1cccc2c1COC2 2230a_100000125316_100015614560 [0,1,0,1,0,0|2,0,0]=4 16425 B16R2.33648 O[C@@H](CF)CNc1cccc2c1COC2 34a_100000125316_100015614560 [0,1,0,1,0,0|2,0,0]=4 16426 B16R2.33648 O[C@@H](CF)CNc1cccc2c1OCC2 2230a_100000102157_100015614560 [0,1,0,1,0,0|2,0,0]=4 16427 B16R2.33648 O[C@@H](CF)CNc1cccc2c1OCC2 34a_100000102157_100015614560 [0,1,0,1,0,0|2,0,0]=4 16428 B16R2.33648 O[C@@H](CF)CNc1cccc2c1OCO2 2230a_100000699912_100015614560 [0,1,0,1,0,0|2,0,0]=4 16429 B16R2.33648 O[C@@H](CF)CNc1cccc2c1OCO2 34a_100000699912_100015614560 [0,1,0,1,0,0|2,0,0]=4 16430 B16R2.33648 O[C@@H](CF)COc1cccc2c1CCC2 34a_100000074356_100015614560 [0,1,0,1,0,0|2,0,0]=4 16431 B16R2.33648 O[C@@H](CF)COc1cccc2c1CCC2 7a_100000074356_100015614560 [0,1,0,1,0,0|2,0,0]=4 16432 B16R2.33648 O[C@@H](CF)COc1cccc2c1CCN2 34a_100000703684_100015614560 [0,1,0,1,0,0|2,0,0]=4 16433 B16R2.33648 O[C@@H](CF)COc1cccc2c1CCO2 34a_100000090053_100015614560 [0,1,0,1,0,0|2,0,0]=4 16434 B16R2.33648 O[C@@H](CF)COc1cccc2c1CCO2 7a_100000090053_100015614560 [0,1,0,1,0,0|2,0,0]=4 16435 B16R2.33648 O[C@@H](CF)COc1cccc2c1CNC2 34a_100015191671_100015614560 [0,1,0,1,0,0|2,0,0]=4 16436 B16R2.33648 O[C@@H](CF)COc1cccc2c1OCO2 34a_100000046630_100015614560 [0,1,0,1,0,0|1,0,0]=3 16437 B16R2.33648 O[C@@H](CF)COc1cccc2c1OCO2 7a_100000046630_100015614560 [0,1,0,1,0,0|1,0,0]=3 16438 B16R2.33648 O[C@@H](CF)CSc1cccc2c1COC2 62a_100010384907_100015614560 [0,1,0,1,0,0|1,1,0]=4 16439 B16R2.33648 O[C@@H](CF)CSc1cccc2c1COC2 62a_100015614560_100010384907 [0,1,0,1,0,0|1,1,0]=4 16440 B16R2.33648 O[C@@H](CF)CSc1cccc2c1OCC2 62a_100009818991_100015614560 [0,1,0,1,0,0|1,1,0]=4 16441 B16R2.33648 O[C@@H](CF)CSc1cccc2c1OCC2 62a_100015614560_100009818991 [0,1,0,1,0,0|1,1,0]=4 16442 B16R2.619 CCNC1COc2c(cccc2OC)C1 2230a_100000059700_100000210202 [0,1,0,1,0,0|2,0,0]=4 16443 B16R2.619 CCNC1COc2c(cccc2OC)C1 34a_100000059700_100000210202 [0,1,0,1,0,0|2,0,0]=4 16444 B16R2.619 COc1cccc2c1OCC(C2)NCF 34a_100000059700_100015361967 [0,1,0,1,0,0|2,0,0]=4 16445 B16R2.767 CC(NCF)C1COc2ccccc2O1 34a_100015185755_100015361967 [0,1,0,1,0,0|2,0,0]=4 16446 B16R2.767 CCNC(C)C1COc2ccccc2O1 2230a_100015185755_100000210202 [0,1,0,1,0,0|2,0,0]=4 16447 B16R2.767 CCNC(C)C1COc2ccccc2O1 270004a_100015525214_100011934066 [0,1,0,1,0,0|2,0,0]=4 16448 B16R2.767 CCNC(C)C1COc2ccccc2O1 34a_100015185755_100000210202 [0,1,0,1,0,0|2,0,0]=4 16449 B16R2.767 O=C(CCO)C1COc2ccccc2O1 1458a_100000182656_100000211926 [0,1,0,1,0,0|0,0,2]=4 16450 B16R2.1480 CCc1ccccc1OCC2CCCO2 7a_100000210936_100000203698 [0,1,0,1,0,0|2,0,0]=4 16451 B16R2.1480 CCc1ccccc1OCC2CCOC2 34a_100000210936_100011261433 [0,1,0,1,0,0|2,0,0]=4 16452 B16R2.1480 CCc1ccccc1OCC2CCOC2 7a_100000210936_100000702531 [0,1,0,1,0,0|2,0,0]=4 16453 B16R2.1480 CCc1ccccc1OCC2OCCO2 34a_100000210936_100000755774 [0,1,0,1,0,0|2,0,0]=4 16454 B16R2.1480 CCc1ccccc1OCC2OCCO2 7a_100000210936_100000755774 [0,1,0,1,0,0|2,0,0]=4 16455 B16R2.1480 CNc1ccccc1OCC2CCCO2 34a_200011193920_200000210301 [0,1,0,1,0,0|2,0,0]=4 16456 B16R2.1480 CNc1ccccc1OCC2CCOC2 34a_100000033821_100011261433 [0,1,0,1,0,0|2,0,0]=4 16457 B16R2.1480 CNc1ccccc1OCC2OCCO2 34a_100000033821_100000755774 [0,1,0,1,0,0|2,0,0]=4 16458 B16R2.1480 COc1ccccc1NCC2CCOC2 34a_100000210025_100011261433 [0,1,0,1,0,0|2,0,0]=4 16459 B16R2.1480 COc1ccccc1NCC2OCCO2 34a_100000210025_100000755774 [0,1,0,1,0,0|2,0,0]=4 16460 B16R2.1480 COc1ccccc1OCC2CCCC2 34a_100000210385_100000740388 [0,1,0,1,0,0|2,0,0]=4 16461 B16R2.1480 COc1ccccc1OCC2CCOC2 34a_100000210385_100011261433 [0,1,0,1,0,0|1,0,0]=3 16462 B16R2.1480 COc1ccccc1OCC2OCCO2 34a_100000210385_100000755774 [0,1,0,1,0,0|1,0,0]=3 16463 B16R2.1480 COc1ccccc1SCC2CCCO2 62a_100000203698_100000210334 [0,1,0,1,0,0|1,1,0]=4 16464 B16R2.1480 COc1ccccc1SCC2CCCO2 62a_100000210334_100000203698 [0,1,0,1,0,0|1,1,0]=4 16465 B16R2.1480 COc1ccccc1SCC2CCOC2 62a_100000210334_100000702531 [0,1,0,1,0,0|1,1,0]=4 16466 B16R2.1480 COc1ccccc1SCC2CCOC2 62a_100000702531_100000210334 [0,1,0,1,0,0|1,1,0]=4 16467 B16R2.1480 COc1ccccc1SCC2OCCO2 62a_100000210334_100000755774 [0,1,0,1,0,0|1,1,0]=4 16468 B16R2.1480 COc1ccccc1SCC2OCCO2 62a_100000755774_100000210334 [0,1,0,1,0,0|1,1,0]=4 16469 B16R2.1480 COc1cccnc1OCC2CCOC2 34a_100025773188_100011261433 [0,1,0,1,0,0|2,0,0]=4 16470 B16R2.1480 COc1cccnc1OCC2OCCO2 34a_100025773188_100000755774 [0,1,0,1,0,0|2,0,0]=4 16471 B16R2.1480 COc1ccncc1OCC2CCOC2 34a_100000101186_100011261433 [0,1,0,1,0,0|2,0,0]=4 16472 B16R2.1480 COc1ccncc1OCC2OCCO2 34a_100000101186_100000755774 [0,1,0,1,0,0|2,0,0]=4 16473 B16R2.1480 COc1ncccc1OCC2CCCO2 7a_100000698397_100000203698 [0,1,0,1,0,0|2,0,0]=4 16474 B16R2.1480 COc1ncccc1OCC2CCOC2 34a_100000698397_100011261433 [0,1,0,1,0,0|2,0,0]=4 16475 B16R2.1480 COc1ncccc1OCC2CCOC2 7a_100000698397_100000702531 [0,1,0,1,0,0|2,0,0]=4 16476 B16R2.1480 COc1ncccc1OCC2OCCO2 34a_100000698397_100000755774 [0,1,0,1,0,0|2,0,0]=4 16477 B16R2.1480 COc1ncccc1OCC2OCCO2 7a_100000698397_100000755774 [0,1,0,1,0,0|2,0,0]=4 16478 B16R2.1480 CSc1ccccc1OCC2CCOC2 34a_100011216402_100011261433 [0,1,0,1,0,0|1,1,0]=4 16479 B16R2.1480 CSc1ccccc1OCC2OCCO2 34a_100011216402_100000755774 [0,1,0,1,0,0|1,1,0]=4 16480 B16R2.1480 [13CH3]Nc1ccccc1OCC2CCCO2 34a_200011193920_200025704644 [0,1,0,1,0,0|2,0,0]=4 16481 B16R2.2451 C#Cc1ccccc1OC2COCC2O 34a_200011470546_200000725654 [0,1,0,1,0,0|1,0,1]=4 16482 B16R2.2451 C#Cc1ccccc1OC2COCC2O 7a_200011470546_200000725654 [0,1,0,1,0,0|1,0,1]=4 16483 B16R2.2451 CCc1ccccc1NC2COCC2O 34a_100000212081_200000725654 [0,1,0,1,0,0|2,0,0]=4 16484 B16R2.2451 CCc1ccccc1NC2COCC2O 7a_100000212081_200000725654 [0,1,0,1,0,0|2,0,0]=4 16485 B16R2.2451 CCc1ccccc1OC2COCC2O 34a_100000210936_200000725654 [0,1,0,1,0,0|1,0,0]=3 16486 B16R2.2451 CCc1ccccc1OC2COCC2O 7a_100000210936_200000725654 [0,1,0,1,0,0|1,0,0]=3 16487 B16R2.2451 CCc1ccccc1SC2COCC2O 62a_100011215823_200000725654 [0,1,0,1,0,0|1,1,0]=4 16488 B16R2.2451 CCc1ccccc1SC2COCC2O 62a_200000725654_100011215823 [0,1,0,1,0,0|1,1,0]=4 16489 B16R2.2451 CNc1ccccc1OC2COCC2O 34a_100000033821_200000725654 [0,1,0,1,0,0|1,0,0]=3 16490 B16R2.2451 CNc1ccccc1SC2COCC2O 62a_100020606079_200000725654 [0,1,0,1,0,0|1,1,0]=4 16491 B16R2.2451 CNc1ccccc1SC2COCC2O 62a_200000725654_100020606079 [0,1,0,1,0,0|1,1,0]=4 16492 B16R2.2451 COc1ccccc1NC2COCC2O 34a_100000210025_200000725654 [0,1,0,1,0,0|1,0,0]=3 16493 B16R2.2451 COc1ccccc1OC2COCC2O 34a_100000210385_200000725654 [0,1,0,1,0,0|0,0,0]=2 16494 B16R2.2451 COc1ccccc1SC2COCC2O 62a_100000210334_200000725654 [0,1,0,1,0,0|0,1,0]=3 16495 B16R2.2451 COc1ccccc1SC2COCC2O 62a_200000725654_100000210334 [0,1,0,1,0,0|0,1,0]=3 16496 B16R2.2451 COc1ccccc1S[C@@H]2CCC[C@H]2O 62a_100000210334_200016002552 [0,1,0,1,0,0|1,1,0]=4 16497 B16R2.2451 COc1ccccc1S[C@@H]2CCC[C@H]2O 62a_200016002552_100000210334 [0,1,0,1,0,0|1,1,0]=4 16498 B16R2.2451 COc1cccnc1OC2COCC2O 34a_100025773188_200000725654 [0,1,0,1,0,0|1,0,0]=3 16499 B16R2.2451 COc1cccnc1SC2COCC2O 62a_100000767102_200000725654 [0,1,0,1,0,0|1,1,0]=4 16500 B16R2.2451 COc1cccnc1SC2COCC2O 62a_200000725654_100000690851 [0,1,0,1,0,0|1,1,0]=4 16501 B16R2.2451 COc1ccncc1OC2COCC2O 34a_100000101186_200000725654 [0,1,0,1,0,0|1,0,0]=3 16502 B16R2.2451 COc1ccncc1SC2COCC2O 62a_100011997281_200000725654 [0,1,0,1,0,0|1,1,0]=4 16503 B16R2.2451 COc1ccncc1SC2COCC2O 62a_200000725654_100011997281 [0,1,0,1,0,0|1,1,0]=4 16504 B16R2.2451 COc1cnccc1SC2COCC2O 62a_100016988167_200000725654 [0,1,0,1,0,0|1,1,0]=4 16505 B16R2.2451 COc1cnccc1SC2COCC2O 62a_200000725654_100016988167 [0,1,0,1,0,0|1,1,0]=4 16506 B16R2.2451 COc1ncccc1OC2COCC2O 34a_100000698397_200000725654 [0,1,0,1,0,0|1,0,0]=3 16507 B16R2.2451 COc1ncccc1OC2COCC2O 7a_100000698397_200000725654 [0,1,0,1,0,0|1,0,0]=3 16508 B16R2.2451 COc1ncccc1SC2COCC2O 62a_100000047025_200000725654 [0,1,0,1,0,0|1,1,0]=4 16509 B16R2.2451 COc1ncccc1SC2COCC2O 62a_200000725654_100000047025 [0,1,0,1,0,0|1,1,0]=4 16510 B16R2.2451 CSc1ccccc1NC2COCC2O 34a_100000211160_200000725654 [0,1,0,1,0,0|1,1,0]=4 16511 B16R2.2451 CSc1ccccc1OC2COCC2O 34a_100011216402_200000725654 [0,1,0,1,0,0|0,1,0]=3 16512 B16R2.2451 CSc1ccccc1SC2COCC2O 62a_100011217816_200000725654 [0,1,0,1,0,0|0,2,0]=4 16513 B16R2.2451 CSc1ccccc1SC2COCC2O 62a_200000725654_100011217816 [0,1,0,1,0,0|0,2,0]=4 16514 B16R2.2451 N#Cc1ccccc1OC2COCC2O 34a_100000211048_200000725654 [0,1,0,1,0,0|2,0,0]=4 16515 B16R2.2451 N#Cc1ccccc1OC2COCC2O 7a_100000211048_200000725654 [0,1,0,1,0,0|2,0,0]=4 16516 B16R2.2451 NCc1ccccc1OC2COCC2O 34a_100000185550_200000725654 [0,1,0,1,0,0|2,0,0]=4 16517 B16R2.2451 OCc1ccccc1OC2COCC2O 34a_100011216872_200000725654 [0,1,0,1,0,0|2,0,0]=4 16518 B16R2.39931 CCc1ccccc1OCC2(COC2)C 34a_100000210936_100009817586 [0,1,0,1,0,0|2,0,0]=4 16519 B16R2.39931 CCc1ccccc1OCC2(COC2)C 7a_100000210936_100009817586 [0,1,0,1,0,0|2,0,0]=4 16520 B16R2.39931 CNc1ccccc1OCC2(COC2)C 34a_100000033821_100009817586 [0,1,0,1,0,0|2,0,0]=4 16521 B16R2.39931 COc1ccccc1NCC2(COC2)C 34a_100000210025_100009817586 [0,1,0,1,0,0|2,0,0]=4 16522 B16R2.39931 COc1ccccc1OCC2(CCC2)C 34a_100000210385_100000726658 [0,1,0,1,0,0|2,0,0]=4 16523 B16R2.39931 COc1ccccc1OCC2(COC2)C 34a_100000210385_100009817586 [0,1,0,1,0,0|1,0,0]=3 16524 B16R2.39931 COc1ccccc1SCC2(COC2)C 62a_100000210334_100009817586 [0,1,0,1,0,0|1,1,0]=4 16525 B16R2.39931 COc1ccccc1SCC2(COC2)C 62a_100009817586_100000210334 [0,1,0,1,0,0|1,1,0]=4 16526 B16R2.39931 COc1cccnc1OCC2(COC2)C 34a_100025773188_100009817586 [0,1,0,1,0,0|2,0,0]=4 16527 B16R2.39931 COc1ccncc1OCC2(COC2)C 34a_100000101186_100009817586 [0,1,0,1,0,0|2,0,0]=4 16528 B16R2.39931 COc1ncccc1OCC2(COC2)C 34a_100000698397_100009817586 [0,1,0,1,0,0|2,0,0]=4 16529 B16R2.39931 COc1ncccc1OCC2(COC2)C 7a_100000698397_100009817586 [0,1,0,1,0,0|2,0,0]=4 16530 B16R2.39931 CSc1ccccc1OCC2(COC2)C 34a_100011216402_100009817586 [0,1,0,1,0,0|1,1,0]=4 16531 B16R2.27462 CC(C)c1ccccc1OCC2(CO2)C 34a_100000211617_100000760498 [0,1,0,1,0,0|2,0,0]=4 16532 B16R2.27462 CC(O)c1ccccc1OCC2(CO2)C 34a_200011232679_100000760498 [0,1,0,1,0,0|2,0,0]=4 16533 B16R2.27462 C[C@@H](N)c1ccccc1OCC2(CO2)C 34a_100025703389_100000760498 [0,1,0,1,0,0|2,0,0]=4 16534 B16R2.27531 CC(C)c1ccccc1OCC2CCO2 34a_100000211617_100000103362 [0,1,0,1,0,0|2,0,0]=4 16535 B16R2.27531 CC(C)c1ccccc1OCC2CCO2 7a_100000211617_100000103362 [0,1,0,1,0,0|2,0,0]=4 16536 B16R2.27531 CC(C)c1ccccc1OCC2COC2 34a_100000211617_100010264016 [0,1,0,1,0,0|2,0,0]=4 16537 B16R2.27531 CC(C)c1ccccc1OCC2COC2 7a_100000211617_100010264016 [0,1,0,1,0,0|2,0,0]=4 16538 B16R2.27531 CC(O)c1ccccc1OCC2CCO2 34a_200011232679_100000103362 [0,1,0,1,0,0|2,0,0]=4 16539 B16R2.27531 CC(O)c1ccccc1OCC2CCO2 7a_200011232679_100000103362 [0,1,0,1,0,0|2,0,0]=4 16540 B16R2.27531 CC(O)c1ccccc1OCC2COC2 34a_200011232679_100010264016 [0,1,0,1,0,0|2,0,0]=4 16541 B16R2.27531 CC(O)c1ccccc1OCC2COC2 7a_200011232679_100010264016 [0,1,0,1,0,0|2,0,0]=4 16542 B16R2.27531 C[C@@H](N)c1ccccc1OCC2CCO2 34a_100025703389_100000103362 [0,1,0,1,0,0|2,0,0]=4 16543 B16R2.27531 C[C@@H](N)c1ccccc1OCC2COC2 34a_100025703389_100010264016 [0,1,0,1,0,0|2,0,0]=4 16544 B16R2.39932 CCC1(CO1)CNc2ccccc2OC 34a_100000210025_200000139556 [0,1,0,1,0,0|2,0,0]=4 16545 B16R2.39932 CCC1(CO1)COc2ccccc2NC 34a_100000033821_200000139556 [0,1,0,1,0,0|2,0,0]=4 16546 B16R2.39932 CCC1(CO1)COc2ccccc2OC 34a_100000210385_200000139556 [0,1,0,1,0,0|1,0,0]=3 16547 B16R2.39932 CCC1(CO1)COc2ccccc2SC 34a_100011216402_200000139556 [0,1,0,1,0,0|1,1,0]=4 16548 B16R2.39932 CCC1(CO1)COc2cccnc2OC 34a_100000698397_200000139556 [0,1,0,1,0,0|2,0,0]=4 16549 B16R2.39932 CCC1(CO1)COc2cccnc2OC 7a_100000698397_200000139556 [0,1,0,1,0,0|2,0,0]=4 16550 B16R2.39932 CCC1(CO1)COc2cnccc2OC 34a_100000101186_200000139556 [0,1,0,1,0,0|2,0,0]=4 16551 B16R2.39932 CCC1(CO1)COc2ncccc2OC 34a_100025773188_200000139556 [0,1,0,1,0,0|2,0,0]=4 16552 B16R2.39932 CCC1(CO1)CSc2ccccc2OC 62a_100000210334_200000139556 [0,1,0,1,0,0|1,1,0]=4 16553 B16R2.39932 CCC1(CO1)CSc2ccccc2OC 62a_200000139556_100000210334 [0,1,0,1,0,0|1,1,0]=4 16554 B16R2.39932 CCc1ccccc1OCC2(CO2)CC 34a_100000210936_200000139556 [0,1,0,1,0,0|2,0,0]=4 16555 B16R2.39932 CCc1ccccc1OCC2(CO2)CC 7a_100000210936_200000139556 [0,1,0,1,0,0|2,0,0]=4 16556 B16R2.39932 COc1ccccc1OCC2(CC2)C#N 34a_100000210385_100000695377 [0,1,0,1,0,0|2,0,0]=4 16557 B16R2.41274 CCc1cccc(c1OCC2CCO2)Br 34a_200010001580_100000103362 [0,1,0,1,0,0|2,0,0]=4 16558 B16R2.41274 CCc1cccc(c1OCC2CCO2)Br 7a_200010001580_100000103362 [0,1,0,1,0,0|2,0,0]=4 16559 B16R2.41274 CCc1cccc(c1OCC2CCO2)C 34a_100000034007_100000103362 [0,1,0,1,0,0|2,0,0]=4 16560 B16R2.41274 CCc1cccc(c1OCC2CCO2)C 7a_100000034007_100000103362 [0,1,0,1,0,0|2,0,0]=4 16561 B16R2.41274 CCc1cccc(c1OCC2COC2)Br 34a_200010001580_100010264016 [0,1,0,1,0,0|2,0,0]=4 16562 B16R2.41274 CCc1cccc(c1OCC2COC2)Br 7a_200010001580_100010264016 [0,1,0,1,0,0|2,0,0]=4 16563 B16R2.41274 CCc1cccc(c1OCC2COC2)C 34a_100000034007_100010264016 [0,1,0,1,0,0|2,0,0]=4 16564 B16R2.41274 CCc1cccc(c1OCC2COC2)C 7a_100000034007_100010264016 [0,1,0,1,0,0|2,0,0]=4 16565 B16R2.41274 COc1cccc(c1NCC2CCO2)Br 34a_100000708083_100000103362 [0,1,0,1,0,0|2,0,0]=4 16566 B16R2.41274 COc1cccc(c1NCC2CCO2)C 2230a_100000758225_100000103362 [0,1,0,1,0,0|2,0,0]=4 16567 B16R2.41274 COc1cccc(c1NCC2CCO2)C 34a_100000758225_100000103362 [0,1,0,1,0,0|2,0,0]=4 16568 B16R2.41274 COc1cccc(c1NCC2CCO2)Cl 34a_100011309317_100000103362 [0,1,0,1,0,0|2,0,0]=4 16569 B16R2.41274 COc1cccc(c1NCC2CCO2)F 34a_100000686744_100000103362 [0,1,0,1,0,0|2,0,0]=4 16570 B16R2.41274 COc1cccc(c1NCC2CCO2)O 34a_100012022766_100000103362 [0,1,0,1,0,0|2,0,0]=4 16571 B16R2.41274 COc1cccc(c1NCC2COC2)Br 34a_100000708083_100010264016 [0,1,0,1,0,0|2,0,0]=4 16572 B16R2.41274 COc1cccc(c1NCC2COC2)C 2230a_100000758225_100010264016 [0,1,0,1,0,0|2,0,0]=4 16573 B16R2.41274 COc1cccc(c1NCC2COC2)C 34a_100000758225_100010264016 [0,1,0,1,0,0|2,0,0]=4 16574 B16R2.41274 COc1cccc(c1NCC2COC2)Cl 34a_100011309317_100010264016 [0,1,0,1,0,0|2,0,0]=4 16575 B16R2.41274 COc1cccc(c1NCC2COC2)F 34a_100000686744_100010264016 [0,1,0,1,0,0|2,0,0]=4 16576 B16R2.41274 COc1cccc(c1NCC2COC2)O 34a_100012022766_100010264016 [0,1,0,1,0,0|2,0,0]=4 16577 B16R2.41274 COc1cccc(c1OCC2CCC2)Br 34a_100000686866_100000763275 [0,1,0,1,0,0|2,0,0]=4 16578 B16R2.41274 COc1cccc(c1OCC2CCC2)C 34a_100011219253_100000763275 [0,1,0,1,0,0|2,0,0]=4 16579 B16R2.41274 COc1cccc(c1OCC2CCC2)C 7a_100011219253_100000763275 [0,1,0,1,0,0|2,0,0]=4 16580 B16R2.41274 COc1cccc(c1OCC2CCC2)Cl 34a_100009851661_100000763275 [0,1,0,1,0,0|2,0,0]=4 16581 B16R2.41274 COc1cccc(c1OCC2CCC2)Cl 7a_100009851661_100000763275 [0,1,0,1,0,0|2,0,0]=4 16582 B16R2.41274 COc1cccc(c1OCC2CCC2)F 34a_100000036725_100000763275 [0,1,0,1,0,0|2,0,0]=4 16583 B16R2.41274 COc1cccc(c1OCC2CCC2)F 7a_100000036725_100000763275 [0,1,0,1,0,0|2,0,0]=4 16584 B16R2.41274 COc1cccc(c1OCC2CCC2)N 34a_100000123586_100000763275 [0,1,0,1,0,0|2,0,0]=4 16585 B16R2.41274 COc1cccc(c1OCC2CCO2)Br 34a_100000686866_100000103362 [0,1,0,1,0,0|1,0,0]=3 16586 B16R2.41274 COc1cccc(c1OCC2CCO2)C 34a_100011219253_100000103362 [0,1,0,1,0,0|1,0,0]=3 16587 B16R2.41274 COc1cccc(c1OCC2CCO2)C 7a_100011219253_100000103362 [0,1,0,1,0,0|1,0,0]=3 16588 B16R2.41274 COc1cccc(c1OCC2CCO2)Cl 34a_100009851661_100000103362 [0,1,0,1,0,0|1,0,0]=3 16589 B16R2.41274 COc1cccc(c1OCC2CCO2)Cl 7a_100009851661_100000103362 [0,1,0,1,0,0|1,0,0]=3 16590 B16R2.41274 COc1cccc(c1OCC2CCO2)F 34a_100000036725_100000103362 [0,1,0,1,0,0|1,0,0]=3 16591 B16R2.41274 COc1cccc(c1OCC2CCO2)F 7a_100000036725_100000103362 [0,1,0,1,0,0|1,0,0]=3 16592 B16R2.41274 COc1cccc(c1OCC2CCO2)N 34a_100000123586_100000103362 [0,1,0,1,0,0|1,0,0]=3 16593 B16R2.41274 COc1cccc(c1OCC2COC2)Br 34a_100000686866_100010264016 [0,1,0,1,0,0|1,0,0]=3 16594 B16R2.41274 COc1cccc(c1OCC2COC2)C 34a_100011219253_100010264016 [0,1,0,1,0,0|1,0,0]=3 16595 B16R2.41274 COc1cccc(c1OCC2COC2)C 7a_100011219253_100010264016 [0,1,0,1,0,0|1,0,0]=3 16596 B16R2.41274 COc1cccc(c1OCC2COC2)Cl 34a_100009851661_100010264016 [0,1,0,1,0,0|1,0,0]=3 16597 B16R2.41274 COc1cccc(c1OCC2COC2)Cl 7a_100009851661_100010264016 [0,1,0,1,0,0|1,0,0]=3 16598 B16R2.41274 COc1cccc(c1OCC2COC2)F 34a_100000036725_100010264016 [0,1,0,1,0,0|1,0,0]=3 16599 B16R2.41274 COc1cccc(c1OCC2COC2)F 7a_100000036725_100010264016 [0,1,0,1,0,0|1,0,0]=3 16600 B16R2.41274 COc1cccc(c1OCC2COC2)N 34a_100000123586_100010264016 [0,1,0,1,0,0|1,0,0]=3 16601 B16R2.41274 COc1cccc(c1SCC2CCO2)Br 62a_100000103362_100010131421 [0,1,0,1,0,0|1,1,0]=4 16602 B16R2.41274 COc1cccc(c1SCC2CCO2)Br 62a_100010131421_100000103362 [0,1,0,1,0,0|1,1,0]=4 16603 B16R2.41274 COc1cccc(c1SCC2CCO2)C 62a_100000103362_100010191535 [0,1,0,1,0,0|1,1,0]=4 16604 B16R2.41274 COc1cccc(c1SCC2CCO2)C 62a_100010191535_100000103362 [0,1,0,1,0,0|1,1,0]=4 16605 B16R2.41274 COc1cccc(c1SCC2CCO2)F 62a_100000103362_100000703912 [0,1,0,1,0,0|1,1,0]=4 16606 B16R2.41274 COc1cccc(c1SCC2CCO2)F 62a_100000703912_100000103362 [0,1,0,1,0,0|1,1,0]=4 16607 B16R2.41274 COc1cccc(c1SCC2CCO2)N 62a_100000103362_100000703447 [0,1,0,1,0,0|1,1,0]=4 16608 B16R2.41274 COc1cccc(c1SCC2CCO2)N 62a_100000703447_100000103362 [0,1,0,1,0,0|1,1,0]=4 16609 B16R2.41274 COc1cccc(c1SCC2CCO2)O 62a_100000103362_100010202623 [0,1,0,1,0,0|1,1,0]=4 16610 B16R2.41274 COc1cccc(c1SCC2COC2)Br 62a_100010131421_100010264016 [0,1,0,1,0,0|1,1,0]=4 16611 B16R2.41274 COc1cccc(c1SCC2COC2)Br 62a_100010264016_100010131421 [0,1,0,1,0,0|1,1,0]=4 16612 B16R2.41274 COc1cccc(c1SCC2COC2)C 62a_100010191535_100010264016 [0,1,0,1,0,0|1,1,0]=4 16613 B16R2.41274 COc1cccc(c1SCC2COC2)C 62a_100010264016_100010191535 [0,1,0,1,0,0|1,1,0]=4 16614 B16R2.41274 COc1cccc(c1SCC2COC2)F 62a_100000703912_100010264016 [0,1,0,1,0,0|1,1,0]=4 16615 B16R2.41274 COc1cccc(c1SCC2COC2)F 62a_100010264016_100000703912 [0,1,0,1,0,0|1,1,0]=4 16616 B16R2.41274 COc1cccc(c1SCC2COC2)N 62a_100000703447_100010264016 [0,1,0,1,0,0|1,1,0]=4 16617 B16R2.41274 COc1cccc(c1SCC2COC2)N 62a_100010264016_100000703447 [0,1,0,1,0,0|1,1,0]=4 16618 B16R2.41274 COc1cccc(c1SCC2COC2)O 62a_100010264016_100010202623 [0,1,0,1,0,0|1,1,0]=4 16619 B16R2.201368 CCc1cccc(c1OCC2(CO2)C)Br 34a_200010001580_100000760498 [0,1,0,1,0,0|2,0,0]=4 16620 B16R2.201368 CCc1cccc(c1OCC2(CO2)C)C 34a_100000034007_100000760498 [0,1,0,1,0,0|2,0,0]=4 16621 B16R2.201368 COc1cccc(c1NCC2(CO2)C)Br 34a_100000708083_100000760498 [0,1,0,1,0,0|2,0,0]=4 16622 B16R2.201368 COc1cccc(c1NCC2(CO2)C)C 34a_100000758225_100000760498 [0,1,0,1,0,0|2,0,0]=4 16623 B16R2.201368 COc1cccc(c1NCC2(CO2)C)Cl 34a_100011309317_100000760498 [0,1,0,1,0,0|2,0,0]=4 16624 B16R2.201368 COc1cccc(c1NCC2(CO2)C)F 34a_100000686744_100000760498 [0,1,0,1,0,0|2,0,0]=4 16625 B16R2.201368 COc1cccc(c1NCC2(CO2)C)O 34a_100012022766_100000760498 [0,1,0,1,0,0|2,0,0]=4 16626 B16R2.201368 COc1cccc(c1OCC2(CO2)C)Br 34a_100000686866_100000760498 [0,1,0,1,0,0|1,0,0]=3 16627 B16R2.201368 COc1cccc(c1OCC2(CO2)C)C 34a_100011219253_100000760498 [0,1,0,1,0,0|1,0,0]=3 16628 B16R2.201368 COc1cccc(c1OCC2(CO2)C)Cl 34a_100009851661_100000760498 [0,1,0,1,0,0|1,0,0]=3 16629 B16R2.201368 COc1cccc(c1OCC2(CO2)C)F 34a_100000036725_100000760498 [0,1,0,1,0,0|1,0,0]=3 16630 B16R2.201368 COc1cccc(c1OCC2(CO2)C)N 34a_100000123586_100000760498 [0,1,0,1,0,0|1,0,0]=3 16631 B16R2.201368 COc1cccc(c1SCC2(CO2)C)Br 62a_100000760498_100010131421 [0,1,0,1,0,0|1,1,0]=4 16632 B16R2.201368 COc1cccc(c1SCC2(CO2)C)Br 62a_100010131421_100000760498 [0,1,0,1,0,0|1,1,0]=4 16633 B16R2.201368 COc1cccc(c1SCC2(CO2)C)C 62a_100000760498_100010191535 [0,1,0,1,0,0|1,1,0]=4 16634 B16R2.201368 COc1cccc(c1SCC2(CO2)C)C 62a_100010191535_100000760498 [0,1,0,1,0,0|1,1,0]=4 16635 B16R2.201368 COc1cccc(c1SCC2(CO2)C)F 62a_100000703912_100000760498 [0,1,0,1,0,0|1,1,0]=4 16636 B16R2.201368 COc1cccc(c1SCC2(CO2)C)F 62a_100000760498_100000703912 [0,1,0,1,0,0|1,1,0]=4 16637 B16R2.201368 COc1cccc(c1SCC2(CO2)C)N 62a_100000703447_100000760498 [0,1,0,1,0,0|1,1,0]=4 16638 B16R2.201368 COc1cccc(c1SCC2(CO2)C)N 62a_100000760498_100000703447 [0,1,0,1,0,0|1,1,0]=4 16639 B16R2.201368 COc1cccc(c1SCC2(CO2)C)O 62a_100000760498_100010202623 [0,1,0,1,0,0|1,1,0]=4 16640 B16R2.9178 COc1c(cccc1NCC2CCO2)Br 34a_100011935253_100000103362 [0,1,0,1,0,0|2,0,0]=4 16641 B16R2.9178 COc1c(cccc1NCC2CCO2)C 34a_100012017360_100000103362 [0,1,0,1,0,0|2,0,0]=4 16642 B16R2.9178 COc1c(cccc1NCC2CCO2)Cl 2230a_100000743799_100000103362 [0,1,0,1,0,0|2,0,0]=4 16643 B16R2.9178 COc1c(cccc1NCC2CCO2)Cl 34a_100000743799_100000103362 [0,1,0,1,0,0|2,0,0]=4 16644 B16R2.9178 COc1c(cccc1NCC2CCO2)F 34a_100011215007_100000103362 [0,1,0,1,0,0|2,0,0]=4 16645 B16R2.9178 COc1c(cccc1NCC2COC2)Br 34a_100011935253_100010264016 [0,1,0,1,0,0|2,0,0]=4 16646 B16R2.9178 COc1c(cccc1NCC2COC2)C 34a_100012017360_100010264016 [0,1,0,1,0,0|2,0,0]=4 16647 B16R2.9178 COc1c(cccc1NCC2COC2)Cl 2230a_100000743799_100010264016 [0,1,0,1,0,0|2,0,0]=4 16648 B16R2.9178 COc1c(cccc1NCC2COC2)Cl 34a_100000743799_100010264016 [0,1,0,1,0,0|2,0,0]=4 16649 B16R2.9178 COc1c(cccc1NCC2COC2)F 34a_100011215007_100010264016 [0,1,0,1,0,0|2,0,0]=4 16650 B16R2.9178 COc1c(cccc1OCC2CCC2)Br 34a_100010234590_100000763275 [0,1,0,1,0,0|2,0,0]=4 16651 B16R2.9178 COc1c(cccc1OCC2CCC2)Cl 34a_200009886253_100000763275 [0,1,0,1,0,0|2,0,0]=4 16652 B16R2.9178 COc1c(cccc1OCC2CCC2)Cl 7a_200009886253_100000763275 [0,1,0,1,0,0|2,0,0]=4 16653 B16R2.9178 COc1c(cccc1OCC2CCO2)Br 34a_100010234590_100000103362 [0,1,0,1,0,0|1,0,0]=3 16654 B16R2.9178 COc1c(cccc1OCC2CCO2)Cl 34a_200009886253_100000103362 [0,1,0,1,0,0|1,0,0]=3 16655 B16R2.9178 COc1c(cccc1OCC2CCO2)Cl 7a_200009886253_100000103362 [0,1,0,1,0,0|1,0,0]=3 16656 B16R2.9178 COc1c(cccc1OCC2COC2)Br 34a_100010234590_100010264016 [0,1,0,1,0,0|1,0,0]=3 16657 B16R2.9178 COc1c(cccc1OCC2COC2)Cl 34a_200009886253_100010264016 [0,1,0,1,0,0|1,0,0]=3 16658 B16R2.9178 COc1c(cccc1OCC2COC2)Cl 7a_200009886253_100010264016 [0,1,0,1,0,0|1,0,0]=3 16659 B16R2.9178 COc1c(cccc1SCC2CCO2)Br 62a_100000103362_100010146560 [0,1,0,1,0,0|1,1,0]=4 16660 B16R2.9178 COc1c(cccc1SCC2CCO2)Br 62a_100010146560_100000103362 [0,1,0,1,0,0|1,1,0]=4 16661 B16R2.9178 COc1c(cccc1SCC2CCO2)C 62a_100000103362_100010141385 [0,1,0,1,0,0|1,1,0]=4 16662 B16R2.9178 COc1c(cccc1SCC2CCO2)C 62a_100010141385_100000103362 [0,1,0,1,0,0|1,1,0]=4 16663 B16R2.9178 COc1c(cccc1SCC2CCO2)Cl 62a_100000103362_100010147678 [0,1,0,1,0,0|1,1,0]=4 16664 B16R2.9178 COc1c(cccc1SCC2CCO2)Cl 62a_100010147678_100000103362 [0,1,0,1,0,0|1,1,0]=4 16665 B16R2.9178 COc1c(cccc1SCC2CCO2)F 62a_100000103362_100009816759 [0,1,0,1,0,0|1,1,0]=4 16666 B16R2.9178 COc1c(cccc1SCC2CCO2)F 62a_100009816759_100000103362 [0,1,0,1,0,0|1,1,0]=4 16667 B16R2.9178 COc1c(cccc1SCC2CCO2)N 62a_100011935253_100000103362 [0,1,0,1,0,0|1,1,0]=4 16668 B16R2.9178 COc1c(cccc1SCC2CCO2)O 62a_100000103362_100010234590 [0,1,0,1,0,0|1,1,0]=4 16669 B16R2.9178 COc1c(cccc1SCC2COC2)Br 62a_100010146560_100010264016 [0,1,0,1,0,0|1,1,0]=4 16670 B16R2.9178 COc1c(cccc1SCC2COC2)Br 62a_100010264016_100010146560 [0,1,0,1,0,0|1,1,0]=4 16671 B16R2.9178 COc1c(cccc1SCC2COC2)C 62a_100010141385_100010264016 [0,1,0,1,0,0|1,1,0]=4 16672 B16R2.9178 COc1c(cccc1SCC2COC2)C 62a_100010264016_100010141385 [0,1,0,1,0,0|1,1,0]=4 16673 B16R2.9178 COc1c(cccc1SCC2COC2)Cl 62a_100010147678_100010264016 [0,1,0,1,0,0|1,1,0]=4 16674 B16R2.9178 COc1c(cccc1SCC2COC2)Cl 62a_100010264016_100010147678 [0,1,0,1,0,0|1,1,0]=4 16675 B16R2.9178 COc1c(cccc1SCC2COC2)F 62a_100009816759_100010264016 [0,1,0,1,0,0|1,1,0]=4 16676 B16R2.9178 COc1c(cccc1SCC2COC2)F 62a_100010264016_100009816759 [0,1,0,1,0,0|1,1,0]=4 16677 B16R2.9178 COc1c(cccc1SCC2COC2)N 62a_100011935253_100010264016 [0,1,0,1,0,0|1,1,0]=4 16678 B16R2.9178 COc1c(cccc1SCC2COC2)O 62a_100010264016_100010234590 [0,1,0,1,0,0|1,1,0]=4 16679 B16R2.9178 COc1c(ccnc1Cl)OCC2CCO2 34a_100000104430_100000103362 [0,1,0,1,0,0|2,0,0]=4 16680 B16R2.9178 COc1c(ccnc1Cl)OCC2COC2 34a_100000104430_100010264016 [0,1,0,1,0,0|2,0,0]=4 16681 B16R2.9178 CSc1c(cccc1OCC2CCO2)C 34a_200000099257_100000103362 [0,1,0,1,0,0|1,1,0]=4 16682 B16R2.9178 CSc1c(cccc1OCC2CCO2)C 7a_200000099257_100000103362 [0,1,0,1,0,0|1,1,0]=4 16683 B16R2.9178 CSc1c(cccc1OCC2COC2)C 34a_200000099257_100010264016 [0,1,0,1,0,0|1,1,0]=4 16684 B16R2.9178 CSc1c(cccc1OCC2COC2)C 7a_200000099257_100010264016 [0,1,0,1,0,0|1,1,0]=4 16685 B16R2.10072 COc1c(cccc1NCC2(CO2)C)Br 34a_100011935253_100000760498 [0,1,0,1,0,0|2,0,0]=4 16686 B16R2.10072 COc1c(cccc1NCC2(CO2)C)C 34a_100012017360_100000760498 [0,1,0,1,0,0|2,0,0]=4 16687 B16R2.10072 COc1c(cccc1NCC2(CO2)C)Cl 34a_100000743799_100000760498 [0,1,0,1,0,0|2,0,0]=4 16688 B16R2.10072 COc1c(cccc1NCC2(CO2)C)F 34a_100011215007_100000760498 [0,1,0,1,0,0|2,0,0]=4 16689 B16R2.10072 COc1c(cccc1OCC2(CO2)C)Br 34a_100010234590_100000760498 [0,1,0,1,0,0|1,0,0]=3 16690 B16R2.10072 COc1c(cccc1OCC2(CO2)C)Cl 34a_200009886253_100000760498 [0,1,0,1,0,0|1,0,0]=3 16691 B16R2.10072 COc1c(cccc1SCC2(CO2)C)Br 62a_100000760498_100010146560 [0,1,0,1,0,0|1,1,0]=4 16692 B16R2.10072 COc1c(cccc1SCC2(CO2)C)Br 62a_100010146560_100000760498 [0,1,0,1,0,0|1,1,0]=4 16693 B16R2.10072 COc1c(cccc1SCC2(CO2)C)C 62a_100000760498_100010141385 [0,1,0,1,0,0|1,1,0]=4 16694 B16R2.10072 COc1c(cccc1SCC2(CO2)C)C 62a_100010141385_100000760498 [0,1,0,1,0,0|1,1,0]=4 16695 B16R2.10072 COc1c(cccc1SCC2(CO2)C)Cl 62a_100000760498_100010147678 [0,1,0,1,0,0|1,1,0]=4 16696 B16R2.10072 COc1c(cccc1SCC2(CO2)C)Cl 62a_100010147678_100000760498 [0,1,0,1,0,0|1,1,0]=4 16697 B16R2.10072 COc1c(cccc1SCC2(CO2)C)F 62a_100000760498_100009816759 [0,1,0,1,0,0|1,1,0]=4 16698 B16R2.10072 COc1c(cccc1SCC2(CO2)C)F 62a_100009816759_100000760498 [0,1,0,1,0,0|1,1,0]=4 16699 B16R2.10072 COc1c(cccc1SCC2(CO2)C)N 62a_100011935253_100000760498 [0,1,0,1,0,0|1,1,0]=4 16700 B16R2.10072 COc1c(cccc1SCC2(CO2)C)O 62a_100000760498_100010234590 [0,1,0,1,0,0|1,1,0]=4 16701 B16R2.10072 COc1c(ccnc1Cl)OCC2(CO2)C 34a_100000104430_100000760498 [0,1,0,1,0,0|2,0,0]=4 16702 B16R2.10072 CSc1c(cccc1OCC2(CO2)C)C 34a_200000099257_100000760498 [0,1,0,1,0,0|1,1,0]=4 16703 B16R2.7812 COc1ccccc1C(=O)CC2(CO2)C 1458a_100000185835_100000760498 [0,1,0,1,0,0|2,0,0]=4 16704 B16R2.7812 COc1ccccc1N(C)CC2(CO2)C 269982a_100000219746_100000760498 [0,1,0,1,0,0|2,0,0]=4 16705 B16R2.7812 COc1ccccc1N(C)CC2(CO2)C 34a_100000219746_100000760498 [0,1,0,1,0,0|2,0,0]=4 16706 B16R2.59303 COc1ccccc1C(=O)CC2CCO2 1458a_100000185835_100000103362 [0,1,0,1,0,0|2,0,0]=4 16707 B16R2.59303 COc1ccccc1C(=O)CC2COC2 1458a_100000185835_100010264016 [0,1,0,1,0,0|2,0,0]=4 16708 B16R2.59303 COc1ccccc1N(C)CC2CCO2 2230a_100000219746_100000103362 [0,1,0,1,0,0|2,0,0]=4 16709 B16R2.59303 COc1ccccc1N(C)CC2CCO2 269982a_100000219746_100000103362 [0,1,0,1,0,0|2,0,0]=4 16710 B16R2.59303 COc1ccccc1N(C)CC2CCO2 34a_100000219746_100000103362 [0,1,0,1,0,0|2,0,0]=4 16711 B16R2.59303 COc1ccccc1N(C)CC2COC2 2230a_100000219746_100010264016 [0,1,0,1,0,0|2,0,0]=4 16712 B16R2.59303 COc1ccccc1N(C)CC2COC2 269982a_100000219746_100010264016 [0,1,0,1,0,0|2,0,0]=4 16713 B16R2.59303 COc1ccccc1N(C)CC2COC2 34a_100000219746_100010264016 [0,1,0,1,0,0|2,0,0]=4 16714 B16R2.39023 COc1ccc(cc1NCC2CCO2)Br 34a_100000743470_100000103362 [0,1,0,1,0,0|2,0,0]=4 16715 B16R2.39023 COc1ccc(cc1NCC2CCO2)C 2230a_100000210980_100000103362 [0,1,0,1,0,0|2,0,0]=4 16716 B16R2.39023 COc1ccc(cc1NCC2CCO2)C 34a_100000210980_100000103362 [0,1,0,1,0,0|2,0,0]=4 16717 B16R2.39023 COc1ccc(cc1NCC2CCO2)Cl 34a_100000182114_100000103362 [0,1,0,1,0,0|2,0,0]=4 16718 B16R2.39023 COc1ccc(cc1NCC2CCO2)F 34a_100000757179_100000103362 [0,1,0,1,0,0|2,0,0]=4 16719 B16R2.39023 COc1ccc(cc1NCC2COC2)Br 34a_100000743470_100010264016 [0,1,0,1,0,0|2,0,0]=4 16720 B16R2.39023 COc1ccc(cc1NCC2COC2)C 2230a_100000210980_100010264016 [0,1,0,1,0,0|2,0,0]=4 16721 B16R2.39023 COc1ccc(cc1NCC2COC2)C 34a_100000210980_100010264016 [0,1,0,1,0,0|2,0,0]=4 16722 B16R2.39023 COc1ccc(cc1NCC2COC2)Cl 34a_100000182114_100010264016 [0,1,0,1,0,0|2,0,0]=4 16723 B16R2.39023 COc1ccc(cc1NCC2COC2)F 34a_100000757179_100010264016 [0,1,0,1,0,0|2,0,0]=4 16724 B16R2.39023 COc1ccc(cc1OCC2CCC2)Br 34a_100009816560_100000763275 [0,1,0,1,0,0|2,0,0]=4 16725 B16R2.39023 COc1ccc(cc1OCC2CCC2)Br 7a_100009816560_100000763275 [0,1,0,1,0,0|2,0,0]=4 16726 B16R2.39023 COc1ccc(cc1OCC2CCC2)C 34a_100011216497_100000763275 [0,1,0,1,0,0|2,0,0]=4 16727 B16R2.39023 COc1ccc(cc1OCC2CCC2)C 7a_100011216497_100000763275 [0,1,0,1,0,0|2,0,0]=4 16728 B16R2.39023 COc1ccc(cc1OCC2CCC2)Cl 34a_100000101779_100000763275 [0,1,0,1,0,0|2,0,0]=4 16729 B16R2.39023 COc1ccc(cc1OCC2CCC2)Cl 7a_100000101779_100000763275 [0,1,0,1,0,0|2,0,0]=4 16730 B16R2.39023 COc1ccc(cc1OCC2CCC2)F 34a_100000034962_100000763275 [0,1,0,1,0,0|2,0,0]=4 16731 B16R2.39023 COc1ccc(cc1OCC2CCC2)F 7a_100000034962_100000763275 [0,1,0,1,0,0|2,0,0]=4 16732 B16R2.39023 COc1ccc(cc1OCC2CCC2)N 34a_100000211920_100000763275 [0,1,0,1,0,0|2,0,0]=4 16733 B16R2.39023 COc1ccc(cc1OCC2CCO2)Br 34a_100009816560_100000103362 [0,1,0,1,0,0|1,0,0]=3 16734 B16R2.39023 COc1ccc(cc1OCC2CCO2)Br 7a_100009816560_100000103362 [0,1,0,1,0,0|1,0,0]=3 16735 B16R2.39023 COc1ccc(cc1OCC2CCO2)C 34a_100011216497_100000103362 [0,1,0,1,0,0|1,0,0]=3 16736 B16R2.39023 COc1ccc(cc1OCC2CCO2)C 7a_100011216497_100000103362 [0,1,0,1,0,0|1,0,0]=3 16737 B16R2.39023 COc1ccc(cc1OCC2CCO2)Cl 34a_100000101779_100000103362 [0,1,0,1,0,0|1,0,0]=3 16738 B16R2.39023 COc1ccc(cc1OCC2CCO2)Cl 7a_100000101779_100000103362 [0,1,0,1,0,0|1,0,0]=3 16739 B16R2.39023 COc1ccc(cc1OCC2CCO2)F 34a_100000034962_100000103362 [0,1,0,1,0,0|1,0,0]=3 16740 B16R2.39023 COc1ccc(cc1OCC2CCO2)F 7a_100000034962_100000103362 [0,1,0,1,0,0|1,0,0]=3 16741 B16R2.39023 COc1ccc(cc1OCC2CCO2)N 34a_100000211920_100000103362 [0,1,0,1,0,0|1,0,0]=3 16742 B16R2.39023 COc1ccc(cc1OCC2COC2)Br 34a_100009816560_100010264016 [0,1,0,1,0,0|1,0,0]=3 16743 B16R2.39023 COc1ccc(cc1OCC2COC2)Br 7a_100009816560_100010264016 [0,1,0,1,0,0|1,0,0]=3 16744 B16R2.39023 COc1ccc(cc1OCC2COC2)C 34a_100011216497_100010264016 [0,1,0,1,0,0|1,0,0]=3 16745 B16R2.39023 COc1ccc(cc1OCC2COC2)C 7a_100011216497_100010264016 [0,1,0,1,0,0|1,0,0]=3 16746 B16R2.39023 COc1ccc(cc1OCC2COC2)Cl 34a_100000101779_100010264016 [0,1,0,1,0,0|1,0,0]=3 16747 B16R2.39023 COc1ccc(cc1OCC2COC2)Cl 7a_100000101779_100010264016 [0,1,0,1,0,0|1,0,0]=3 16748 B16R2.39023 COc1ccc(cc1OCC2COC2)F 34a_100000034962_100010264016 [0,1,0,1,0,0|1,0,0]=3 16749 B16R2.39023 COc1ccc(cc1OCC2COC2)F 7a_100000034962_100010264016 [0,1,0,1,0,0|1,0,0]=3 16750 B16R2.39023 COc1ccc(cc1OCC2COC2)N 34a_100000211920_100010264016 [0,1,0,1,0,0|1,0,0]=3 16751 B16R2.39023 COc1ccc(cc1SCC2CCO2)Br 62a_100000103362_100012351588 [0,1,0,1,0,0|1,1,0]=4 16752 B16R2.39023 COc1ccc(cc1SCC2CCO2)Br 62a_100012351588_100000103362 [0,1,0,1,0,0|1,1,0]=4 16753 B16R2.39023 COc1ccc(cc1SCC2CCO2)C 62a_100000103362_100000186399 [0,1,0,1,0,0|1,1,0]=4 16754 B16R2.39023 COc1ccc(cc1SCC2CCO2)C 62a_100000186399_100000103362 [0,1,0,1,0,0|1,1,0]=4 16755 B16R2.39023 COc1ccc(cc1SCC2CCO2)Cl 62a_100000103362_100011215930 [0,1,0,1,0,0|1,1,0]=4 16756 B16R2.39023 COc1ccc(cc1SCC2CCO2)Cl 62a_100011215930_100000103362 [0,1,0,1,0,0|1,1,0]=4 16757 B16R2.39023 COc1ccc(cc1SCC2CCO2)F 62a_100000103362_100000171694 [0,1,0,1,0,0|1,1,0]=4 16758 B16R2.39023 COc1ccc(cc1SCC2CCO2)F 62a_100000171694_100000103362 [0,1,0,1,0,0|1,1,0]=4 16759 B16R2.39023 COc1ccc(cc1SCC2CCO2)N 62a_100000103362_100011356947 [0,1,0,1,0,0|1,1,0]=4 16760 B16R2.39023 COc1ccc(cc1SCC2CCO2)N 62a_100011356947_100000103362 [0,1,0,1,0,0|1,1,0]=4 16761 B16R2.39023 COc1ccc(cc1SCC2CCO2)O 62a_100000103362_100010234764 [0,1,0,1,0,0|1,1,0]=4 16762 B16R2.39023 COc1ccc(cc1SCC2CCO2)O 62a_100010234764_100000103362 [0,1,0,1,0,0|1,1,0]=4 16763 B16R2.39023 COc1ccc(cc1SCC2COC2)Br 62a_100010264016_100012351588 [0,1,0,1,0,0|1,1,0]=4 16764 B16R2.39023 COc1ccc(cc1SCC2COC2)Br 62a_100012351588_100010264016 [0,1,0,1,0,0|1,1,0]=4 16765 B16R2.39023 COc1ccc(cc1SCC2COC2)C 62a_100000186399_100010264016 [0,1,0,1,0,0|1,1,0]=4 16766 B16R2.39023 COc1ccc(cc1SCC2COC2)C 62a_100010264016_100000186399 [0,1,0,1,0,0|1,1,0]=4 16767 B16R2.39023 COc1ccc(cc1SCC2COC2)Cl 62a_100010264016_100011215930 [0,1,0,1,0,0|1,1,0]=4 16768 B16R2.39023 COc1ccc(cc1SCC2COC2)Cl 62a_100011215930_100010264016 [0,1,0,1,0,0|1,1,0]=4 16769 B16R2.39023 COc1ccc(cc1SCC2COC2)F 62a_100000171694_100010264016 [0,1,0,1,0,0|1,1,0]=4 16770 B16R2.39023 COc1ccc(cc1SCC2COC2)F 62a_100010264016_100000171694 [0,1,0,1,0,0|1,1,0]=4 16771 B16R2.39023 COc1ccc(cc1SCC2COC2)N 62a_100010264016_100011356947 [0,1,0,1,0,0|1,1,0]=4 16772 B16R2.39023 COc1ccc(cc1SCC2COC2)N 62a_100011356947_100010264016 [0,1,0,1,0,0|1,1,0]=4 16773 B16R2.39023 COc1ccc(cc1SCC2COC2)O 62a_100010234764_100010264016 [0,1,0,1,0,0|1,1,0]=4 16774 B16R2.39023 COc1ccc(cc1SCC2COC2)O 62a_100010264016_100010234764 [0,1,0,1,0,0|1,1,0]=4 16775 B16R2.39023 COc1cnc(cc1OCC2CCO2)Br 34a_100010264082_100000103362 [0,1,0,1,0,0|2,0,0]=4 16776 B16R2.39023 COc1cnc(cc1OCC2CCO2)Cl 34a_100009849459_100000103362 [0,1,0,1,0,0|2,0,0]=4 16777 B16R2.39023 COc1cnc(cc1OCC2COC2)Br 34a_100010264082_100010264016 [0,1,0,1,0,0|2,0,0]=4 16778 B16R2.39023 COc1cnc(cc1OCC2COC2)Cl 34a_100009849459_100010264016 [0,1,0,1,0,0|2,0,0]=4 16779 B16R2.39023 COc1ncc(cc1OCC2CCO2)Br 34a_100010135713_100000103362 [0,1,0,1,0,0|2,0,0]=4 16780 B16R2.39023 COc1ncc(cc1OCC2COC2)Br 34a_100010135713_100010264016 [0,1,0,1,0,0|2,0,0]=4 16781 B16R2.196401 COc1ccc(cc1NCC2(CO2)C)Br 34a_100000743470_100000760498 [0,1,0,1,0,0|2,0,0]=4 16782 B16R2.196401 COc1ccc(cc1NCC2(CO2)C)C 34a_100000210980_100000760498 [0,1,0,1,0,0|2,0,0]=4 16783 B16R2.196401 COc1ccc(cc1NCC2(CO2)C)Cl 34a_100000182114_100000760498 [0,1,0,1,0,0|2,0,0]=4 16784 B16R2.196401 COc1ccc(cc1NCC2(CO2)C)F 34a_100000757179_100000760498 [0,1,0,1,0,0|2,0,0]=4 16785 B16R2.196401 COc1ccc(cc1OCC2(CO2)C)Br 34a_100009816560_100000760498 [0,1,0,1,0,0|1,0,0]=3 16786 B16R2.196401 COc1ccc(cc1OCC2(CO2)C)C 34a_100011216497_100000760498 [0,1,0,1,0,0|1,0,0]=3 16787 B16R2.196401 COc1ccc(cc1OCC2(CO2)C)Cl 34a_100000101779_100000760498 [0,1,0,1,0,0|1,0,0]=3 16788 B16R2.196401 COc1ccc(cc1OCC2(CO2)C)F 34a_100000034962_100000760498 [0,1,0,1,0,0|1,0,0]=3 16789 B16R2.196401 COc1ccc(cc1OCC2(CO2)C)N 34a_100000211920_100000760498 [0,1,0,1,0,0|1,0,0]=3 16790 B16R2.196401 COc1ccc(cc1SCC2(CO2)C)Br 62a_100000760498_100012351588 [0,1,0,1,0,0|1,1,0]=4 16791 B16R2.196401 COc1ccc(cc1SCC2(CO2)C)Br 62a_100012351588_100000760498 [0,1,0,1,0,0|1,1,0]=4 16792 B16R2.196401 COc1ccc(cc1SCC2(CO2)C)C 62a_100000186399_100000760498 [0,1,0,1,0,0|1,1,0]=4 16793 B16R2.196401 COc1ccc(cc1SCC2(CO2)C)C 62a_100000760498_100000186399 [0,1,0,1,0,0|1,1,0]=4 16794 B16R2.196401 COc1ccc(cc1SCC2(CO2)C)Cl 62a_100000760498_100011215930 [0,1,0,1,0,0|1,1,0]=4 16795 B16R2.196401 COc1ccc(cc1SCC2(CO2)C)Cl 62a_100011215930_100000760498 [0,1,0,1,0,0|1,1,0]=4 16796 B16R2.196401 COc1ccc(cc1SCC2(CO2)C)F 62a_100000171694_100000760498 [0,1,0,1,0,0|1,1,0]=4 16797 B16R2.196401 COc1ccc(cc1SCC2(CO2)C)F 62a_100000760498_100000171694 [0,1,0,1,0,0|1,1,0]=4 16798 B16R2.196401 COc1ccc(cc1SCC2(CO2)C)N 62a_100000760498_100011356947 [0,1,0,1,0,0|1,1,0]=4 16799 B16R2.196401 COc1ccc(cc1SCC2(CO2)C)N 62a_100011356947_100000760498 [0,1,0,1,0,0|1,1,0]=4 16800 B16R2.196401 COc1ccc(cc1SCC2(CO2)C)O 62a_100000760498_100010234764 [0,1,0,1,0,0|1,1,0]=4 16801 B16R2.196401 COc1ccc(cc1SCC2(CO2)C)O 62a_100010234764_100000760498 [0,1,0,1,0,0|1,1,0]=4 16802 B16R2.196401 COc1cnc(cc1OCC2(CO2)C)Br 34a_100010264082_100000760498 [0,1,0,1,0,0|2,0,0]=4 16803 B16R2.196401 COc1cnc(cc1OCC2(CO2)C)Cl 34a_100009849459_100000760498 [0,1,0,1,0,0|2,0,0]=4 16804 B16R2.196401 COc1ncc(cc1OCC2(CO2)C)Br 34a_100010135713_100000760498 [0,1,0,1,0,0|2,0,0]=4 16805 B16R2.39957 CCc1cc(ccc1OCC2CCO2)Br 34a_100012338938_100000103362 [0,1,0,1,0,0|2,0,0]=4 16806 B16R2.39957 CCc1cc(ccc1OCC2CCO2)Br 7a_100012338938_100000103362 [0,1,0,1,0,0|2,0,0]=4 16807 B16R2.39957 CCc1cc(ccc1OCC2CCO2)C 34a_100009844793_100000103362 [0,1,0,1,0,0|2,0,0]=4 16808 B16R2.39957 CCc1cc(ccc1OCC2CCO2)C 7a_100009844793_100000103362 [0,1,0,1,0,0|2,0,0]=4 16809 B16R2.39957 CCc1cc(ccc1OCC2CCO2)F 34a_200000035566_100000103362 [0,1,0,1,0,0|2,0,0]=4 16810 B16R2.39957 CCc1cc(ccc1OCC2CCO2)F 7a_200000035566_100000103362 [0,1,0,1,0,0|2,0,0]=4 16811 B16R2.39957 CCc1cc(ccc1OCC2COC2)Br 34a_100012338938_100010264016 [0,1,0,1,0,0|2,0,0]=4 16812 B16R2.39957 CCc1cc(ccc1OCC2COC2)Br 7a_100012338938_100010264016 [0,1,0,1,0,0|2,0,0]=4 16813 B16R2.39957 CCc1cc(ccc1OCC2COC2)C 34a_100009844793_100010264016 [0,1,0,1,0,0|2,0,0]=4 16814 B16R2.39957 CCc1cc(ccc1OCC2COC2)C 7a_100009844793_100010264016 [0,1,0,1,0,0|2,0,0]=4 16815 B16R2.39957 CCc1cc(ccc1OCC2COC2)F 34a_200000035566_100010264016 [0,1,0,1,0,0|2,0,0]=4 16816 B16R2.39957 CCc1cc(ccc1OCC2COC2)F 7a_200000035566_100010264016 [0,1,0,1,0,0|2,0,0]=4 16817 B16R2.39957 COc1cc(ccc1NCC2CCO2)Br 34a_100011279103_100000103362 [0,1,0,1,0,0|2,0,0]=4 16818 B16R2.39957 COc1cc(ccc1NCC2CCO2)C 2230a_100000746441_100000103362 [0,1,0,1,0,0|2,0,0]=4 16819 B16R2.39957 COc1cc(ccc1NCC2CCO2)C 34a_100000746441_100000103362 [0,1,0,1,0,0|2,0,0]=4 16820 B16R2.39957 COc1cc(ccc1NCC2CCO2)Cl 34a_100000707585_100000103362 [0,1,0,1,0,0|2,0,0]=4 16821 B16R2.39957 COc1cc(ccc1NCC2CCO2)F 34a_100000737216_100000103362 [0,1,0,1,0,0|2,0,0]=4 16822 B16R2.39957 COc1cc(ccc1NCC2CCO2)I 34a_100015196925_100000103362 [0,1,0,1,0,0|2,0,0]=4 16823 B16R2.39957 COc1cc(ccc1NCC2CCO2)O 34a_100015326901_100000103362 [0,1,0,1,0,0|2,0,0]=4 16824 B16R2.39957 COc1cc(ccc1NCC2COC2)Br 34a_100011279103_100010264016 [0,1,0,1,0,0|2,0,0]=4 16825 B16R2.39957 COc1cc(ccc1NCC2COC2)C 2230a_100000746441_100010264016 [0,1,0,1,0,0|2,0,0]=4 16826 B16R2.39957 COc1cc(ccc1NCC2COC2)C 34a_100000746441_100010264016 [0,1,0,1,0,0|2,0,0]=4 16827 B16R2.39957 COc1cc(ccc1NCC2COC2)Cl 34a_100000707585_100010264016 [0,1,0,1,0,0|2,0,0]=4 16828 B16R2.39957 COc1cc(ccc1NCC2COC2)F 34a_100000737216_100010264016 [0,1,0,1,0,0|2,0,0]=4 16829 B16R2.39957 COc1cc(ccc1NCC2COC2)I 34a_100015196925_100010264016 [0,1,0,1,0,0|2,0,0]=4 16830 B16R2.39957 COc1cc(ccc1NCC2COC2)O 34a_100015326901_100010264016 [0,1,0,1,0,0|2,0,0]=4 16831 B16R2.39957 COc1cc(ccc1OCC2CCC2)Br 34a_100000694246_100000763275 [0,1,0,1,0,0|2,0,0]=4 16832 B16R2.39957 COc1cc(ccc1OCC2CCC2)Br 7a_100000694246_100000763275 [0,1,0,1,0,0|2,0,0]=4 16833 B16R2.39957 COc1cc(ccc1OCC2CCC2)C 34a_100000186466_100000763275 [0,1,0,1,0,0|2,0,0]=4 16834 B16R2.39957 COc1cc(ccc1OCC2CCC2)Cl 34a_100000033002_100000763275 [0,1,0,1,0,0|2,0,0]=4 16835 B16R2.39957 COc1cc(ccc1OCC2CCC2)F 34a_100000036057_100000763275 [0,1,0,1,0,0|2,0,0]=4 16836 B16R2.39957 COc1cc(ccc1OCC2CCC2)F 7a_100000036057_100000763275 [0,1,0,1,0,0|2,0,0]=4 16837 B16R2.39957 COc1cc(ccc1OCC2CCC2)I 34a_100000049635_100000763275 [0,1,0,1,0,0|2,0,0]=4 16838 B16R2.39957 COc1cc(ccc1OCC2CCC2)N 34a_100000726020_100000763275 [0,1,0,1,0,0|2,0,0]=4 16839 B16R2.39957 COc1cc(ccc1OCC2CCO2)Br 34a_100000694246_100000103362 [0,1,0,1,0,0|1,0,0]=3 16840 B16R2.39957 COc1cc(ccc1OCC2CCO2)Br 7a_100000694246_100000103362 [0,1,0,1,0,0|1,0,0]=3 16841 B16R2.39957 COc1cc(ccc1OCC2CCO2)C 34a_100000186466_100000103362 [0,1,0,1,0,0|1,0,0]=3 16842 B16R2.39957 COc1cc(ccc1OCC2CCO2)Cl 34a_100000033002_100000103362 [0,1,0,1,0,0|1,0,0]=3 16843 B16R2.39957 COc1cc(ccc1OCC2CCO2)F 34a_100000036057_100000103362 [0,1,0,1,0,0|1,0,0]=3 16844 B16R2.39957 COc1cc(ccc1OCC2CCO2)F 7a_100000036057_100000103362 [0,1,0,1,0,0|1,0,0]=3 16845 B16R2.39957 COc1cc(ccc1OCC2CCO2)I 34a_100000049635_100000103362 [0,1,0,1,0,0|1,0,0]=3 16846 B16R2.39957 COc1cc(ccc1OCC2CCO2)N 34a_100000726020_100000103362 [0,1,0,1,0,0|1,0,0]=3 16847 B16R2.39957 COc1cc(ccc1OCC2COC2)Br 34a_100000694246_100010264016 [0,1,0,1,0,0|1,0,0]=3 16848 B16R2.39957 COc1cc(ccc1OCC2COC2)Br 7a_100000694246_100010264016 [0,1,0,1,0,0|1,0,0]=3 16849 B16R2.39957 COc1cc(ccc1OCC2COC2)C 34a_100000186466_100010264016 [0,1,0,1,0,0|1,0,0]=3 16850 B16R2.39957 COc1cc(ccc1OCC2COC2)Cl 34a_100000033002_100010264016 [0,1,0,1,0,0|1,0,0]=3 16851 B16R2.39957 COc1cc(ccc1OCC2COC2)F 34a_100000036057_100010264016 [0,1,0,1,0,0|1,0,0]=3 16852 B16R2.39957 COc1cc(ccc1OCC2COC2)F 7a_100000036057_100010264016 [0,1,0,1,0,0|1,0,0]=3 16853 B16R2.39957 COc1cc(ccc1OCC2COC2)I 34a_100000049635_100010264016 [0,1,0,1,0,0|1,0,0]=3 16854 B16R2.39957 COc1cc(ccc1OCC2COC2)N 34a_100000726020_100010264016 [0,1,0,1,0,0|1,0,0]=3 16855 B16R2.39957 COc1cc(ccc1SCC2CCO2)Br 62a_100000103362_100010245111 [0,1,0,1,0,0|1,1,0]=4 16856 B16R2.39957 COc1cc(ccc1SCC2CCO2)Br 62a_100010245111_100000103362 [0,1,0,1,0,0|1,1,0]=4 16857 B16R2.39957 COc1cc(ccc1SCC2CCO2)C 62a_100000103362_100010200004 [0,1,0,1,0,0|1,1,0]=4 16858 B16R2.39957 COc1cc(ccc1SCC2CCO2)C 62a_100010200004_100000103362 [0,1,0,1,0,0|1,1,0]=4 16859 B16R2.39957 COc1cc(ccc1SCC2CCO2)Cl 62a_100000050115_100000103362 [0,1,0,1,0,0|1,1,0]=4 16860 B16R2.39957 COc1cc(ccc1SCC2CCO2)Cl 62a_100000103362_100000050115 [0,1,0,1,0,0|1,1,0]=4 16861 B16R2.39957 COc1cc(ccc1SCC2CCO2)F 62a_100000103362_100000757151 [0,1,0,1,0,0|1,1,0]=4 16862 B16R2.39957 COc1cc(ccc1SCC2CCO2)F 62a_100000757151_100000103362 [0,1,0,1,0,0|1,1,0]=4 16863 B16R2.39957 COc1cc(ccc1SCC2CCO2)N 62a_100000103362_100000765947 [0,1,0,1,0,0|1,1,0]=4 16864 B16R2.39957 COc1cc(ccc1SCC2CCO2)N 62a_100000765947_100000103362 [0,1,0,1,0,0|1,1,0]=4 16865 B16R2.39957 COc1cc(ccc1SCC2CCO2)O 62a_100000103362_100011827694 [0,1,0,1,0,0|1,1,0]=4 16866 B16R2.39957 COc1cc(ccc1SCC2COC2)Br 62a_100010245111_100010264016 [0,1,0,1,0,0|1,1,0]=4 16867 B16R2.39957 COc1cc(ccc1SCC2COC2)Br 62a_100010264016_100010245111 [0,1,0,1,0,0|1,1,0]=4 16868 B16R2.39957 COc1cc(ccc1SCC2COC2)C 62a_100010200004_100010264016 [0,1,0,1,0,0|1,1,0]=4 16869 B16R2.39957 COc1cc(ccc1SCC2COC2)C 62a_100010264016_100010200004 [0,1,0,1,0,0|1,1,0]=4 16870 B16R2.39957 COc1cc(ccc1SCC2COC2)Cl 62a_100000050115_100010264016 [0,1,0,1,0,0|1,1,0]=4 16871 B16R2.39957 COc1cc(ccc1SCC2COC2)Cl 62a_100010264016_100000050115 [0,1,0,1,0,0|1,1,0]=4 16872 B16R2.39957 COc1cc(ccc1SCC2COC2)F 62a_100000757151_100010264016 [0,1,0,1,0,0|1,1,0]=4 16873 B16R2.39957 COc1cc(ccc1SCC2COC2)F 62a_100010264016_100000757151 [0,1,0,1,0,0|1,1,0]=4 16874 B16R2.39957 COc1cc(ccc1SCC2COC2)N 62a_100000765947_100010264016 [0,1,0,1,0,0|1,1,0]=4 16875 B16R2.39957 COc1cc(ccc1SCC2COC2)N 62a_100010264016_100000765947 [0,1,0,1,0,0|1,1,0]=4 16876 B16R2.39957 COc1cc(ccc1SCC2COC2)O 62a_100010264016_100011827694 [0,1,0,1,0,0|1,1,0]=4 16877 B16R2.39957 COc1cc(cnc1OCC2CCO2)Cl 34a_200009845368_100000103362 [0,1,0,1,0,0|2,0,0]=4 16878 B16R2.39957 COc1cc(cnc1OCC2COC2)Cl 34a_200009845368_100010264016 [0,1,0,1,0,0|2,0,0]=4 16879 B16R2.39957 COc1nc(ccc1OCC2CCO2)Br 34a_100010893133_100000103362 [0,1,0,1,0,0|2,0,0]=4 16880 B16R2.39957 COc1nc(ccc1OCC2COC2)Br 34a_100010893133_100010264016 [0,1,0,1,0,0|2,0,0]=4 16881 B16R2.182477 CCc1cc(ccc1OCC2(CO2)C)Br 34a_100012338938_100000760498 [0,1,0,1,0,0|2,0,0]=4 16882 B16R2.182477 CCc1cc(ccc1OCC2(CO2)C)C 34a_100009844793_100000760498 [0,1,0,1,0,0|2,0,0]=4 16883 B16R2.182477 CCc1cc(ccc1OCC2(CO2)C)F 34a_200000035566_100000760498 [0,1,0,1,0,0|2,0,0]=4 16884 B16R2.182477 COc1cc(ccc1NCC2(CO2)C)Br 34a_100011279103_100000760498 [0,1,0,1,0,0|2,0,0]=4 16885 B16R2.182477 COc1cc(ccc1NCC2(CO2)C)C 34a_100000746441_100000760498 [0,1,0,1,0,0|2,0,0]=4 16886 B16R2.182477 COc1cc(ccc1NCC2(CO2)C)Cl 34a_100000707585_100000760498 [0,1,0,1,0,0|2,0,0]=4 16887 B16R2.182477 COc1cc(ccc1NCC2(CO2)C)F 34a_100000737216_100000760498 [0,1,0,1,0,0|2,0,0]=4 16888 B16R2.182477 COc1cc(ccc1NCC2(CO2)C)I 34a_100015196925_100000760498 [0,1,0,1,0,0|2,0,0]=4 16889 B16R2.182477 COc1cc(ccc1NCC2(CO2)C)O 34a_100015326901_100000760498 [0,1,0,1,0,0|2,0,0]=4 16890 B16R2.182477 COc1cc(ccc1OCC2(CO2)C)Br 34a_100000694246_100000760498 [0,1,0,1,0,0|1,0,0]=3 16891 B16R2.182477 COc1cc(ccc1OCC2(CO2)C)C 34a_100000186466_100000760498 [0,1,0,1,0,0|1,0,0]=3 16892 B16R2.182477 COc1cc(ccc1OCC2(CO2)C)Cl 34a_100000033002_100000760498 [0,1,0,1,0,0|1,0,0]=3 16893 B16R2.182477 COc1cc(ccc1OCC2(CO2)C)F 34a_100000036057_100000760498 [0,1,0,1,0,0|1,0,0]=3 16894 B16R2.182477 COc1cc(ccc1OCC2(CO2)C)I 34a_100000049635_100000760498 [0,1,0,1,0,0|1,0,0]=3 16895 B16R2.182477 COc1cc(ccc1OCC2(CO2)C)N 34a_100000726020_100000760498 [0,1,0,1,0,0|1,0,0]=3 16896 B16R2.182477 COc1cc(ccc1SCC2(CO2)C)Br 62a_100000760498_100010245111 [0,1,0,1,0,0|1,1,0]=4 16897 B16R2.182477 COc1cc(ccc1SCC2(CO2)C)Br 62a_100010245111_100000760498 [0,1,0,1,0,0|1,1,0]=4 16898 B16R2.182477 COc1cc(ccc1SCC2(CO2)C)C 62a_100000760498_100010200004 [0,1,0,1,0,0|1,1,0]=4 16899 B16R2.182477 COc1cc(ccc1SCC2(CO2)C)C 62a_100010200004_100000760498 [0,1,0,1,0,0|1,1,0]=4 16900 B16R2.182477 COc1cc(ccc1SCC2(CO2)C)Cl 62a_100000050115_100000760498 [0,1,0,1,0,0|1,1,0]=4 16901 B16R2.182477 COc1cc(ccc1SCC2(CO2)C)Cl 62a_100000760498_100000050115 [0,1,0,1,0,0|1,1,0]=4 16902 B16R2.182477 COc1cc(ccc1SCC2(CO2)C)F 62a_100000757151_100000760498 [0,1,0,1,0,0|1,1,0]=4 16903 B16R2.182477 COc1cc(ccc1SCC2(CO2)C)F 62a_100000760498_100000757151 [0,1,0,1,0,0|1,1,0]=4 16904 B16R2.182477 COc1cc(ccc1SCC2(CO2)C)N 62a_100000760498_100000765947 [0,1,0,1,0,0|1,1,0]=4 16905 B16R2.182477 COc1cc(ccc1SCC2(CO2)C)N 62a_100000765947_100000760498 [0,1,0,1,0,0|1,1,0]=4 16906 B16R2.182477 COc1cc(ccc1SCC2(CO2)C)O 62a_100000760498_100011827694 [0,1,0,1,0,0|1,1,0]=4 16907 B16R2.182477 COc1cc(cnc1OCC2(CO2)C)Cl 34a_200009845368_100000760498 [0,1,0,1,0,0|2,0,0]=4 16908 B16R2.182477 COc1nc(ccc1OCC2(CO2)C)Br 34a_100010893133_100000760498 [0,1,0,1,0,0|2,0,0]=4 16909 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 2230a_100000739276_200025704644 [1,0,0,0,1,0|2,0,0]=4 16910 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 34a_100000739276_200025704644 [1,0,0,0,1,0|2,0,0]=4 16911 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 34a_100011218612_200025704644 [1,0,0,0,1,0|1,0,0]=3 16912 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 7a_100011218612_200025704644 [1,0,0,0,1,0|1,0,0]=3 16913 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_100000173919_200025704644 [1,0,0,0,1,0|1,1,0]=4 16914 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_200025704644_100000173919 [1,0,0,0,1,0|1,1,0]=4 16915 B12R1.75 CCc1ccccc1OC(C)C 34a_100000210936_100000210206 [1,0,0,0,1,0|2,0,0]=4 16916 B12R1.75 CCc1ccccc1OC(C)C 7a_100000210936_100000210206 [1,0,0,0,1,0|2,0,0]=4 16917 B12R1.75 CNc1ccccc1OC(C)C 2230a_100000739276_200000210301 [1,0,0,0,1,0|2,0,0]=4 16918 B12R1.75 CNc1ccccc1OC(C)C 34a_100000033821_100000210206 [1,0,0,0,1,0|2,0,0]=4 16919 B12R1.75 CNc1ccccc1OC(C)C 34a_100000739276_200000210301 [1,0,0,0,1,0|2,0,0]=4 16920 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [1,0,0,0,1,0|0,0,2]=4 16921 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [1,0,0,0,1,0|0,0,2]=4 16922 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [1,0,0,0,1,0|0,0,2]=4 16923 B12R1.75 COc1ccccc1CN(C)C 2230a_100000184376_200000210301 [1,0,0,0,1,0|2,0,0]=4 16924 B12R1.75 COc1ccccc1CN(C)C 2230a_100102631434_100000210004 [1,0,0,0,1,0|2,0,0]=4 16925 B12R1.75 COc1ccccc1CN(C)C 269982a_100000184376_200000210301 [1,0,0,0,1,0|2,0,0]=4 16926 B12R1.75 COc1ccccc1CN(C)C 269982a_100102631434_100000210004 [1,0,0,0,1,0|2,0,0]=4 16927 B12R1.75 COc1ccccc1CN(C)C 270004a_100102631434_100000169842 [1,0,0,0,1,0|2,0,0]=4 16928 B12R1.75 COc1ccccc1CN(C)[13CH3] 2230a_100000184376_200025704644 [1,0,0,0,1,0|2,0,0]=4 16929 B12R1.75 COc1ccccc1CN(C)[13CH3] 269982a_100000184376_200025704644 [1,0,0,0,1,0|2,0,0]=4 16930 B12R1.75 COc1ccccc1NC(C)C 34a_100000210025_100000210206 [1,0,0,0,1,0|2,0,0]=4 16931 B12R1.75 COc1ccccc1OC(C)C 34a_100000210385_100000210206 [1,0,0,0,1,0|1,0,0]=3 16932 B12R1.75 COc1ccccc1OC(C)C 34a_100011218612_200000210301 [1,0,0,0,1,0|1,0,0]=3 16933 B12R1.75 COc1ccccc1OC(C)C 7a_100011218612_200000210301 [1,0,0,0,1,0|1,0,0]=3 16934 B12R1.75 COc1ccccc1OC(F)F 34a_100000752575_200000210301 [1,0,0,0,1,0|2,0,0]=4 16935 B12R1.75 COc1ccccc1OC(F)F 7a_100000752575_200000210301 [1,0,0,0,1,0|2,0,0]=4 16936 B12R1.75 COc1ccccc1SC(C)C 62a_100000210206_100000210334 [1,0,0,0,1,0|1,1,0]=4 16937 B12R1.75 COc1ccccc1SC(C)C 62a_100000210334_100000210206 [1,0,0,0,1,0|1,1,0]=4 16938 B12R1.75 COc1cccnc1OC(C)C 34a_100025773188_100000210206 [1,0,0,0,1,0|2,0,0]=4 16939 B12R1.75 COc1ccncc1OC(C)C 34a_100000101186_100000210206 [1,0,0,0,1,0|2,0,0]=4 16940 B12R1.75 COc1ncccc1OC(C)C 34a_100000698397_100000210206 [1,0,0,0,1,0|2,0,0]=4 16941 B12R1.75 COc1ncccc1OC(C)C 7a_100000698397_100000210206 [1,0,0,0,1,0|2,0,0]=4 16942 B12R1.75 CSc1ccccc1OC(C)C 34a_100011216402_100000210206 [1,0,0,0,1,0|1,1,0]=4 16943 B12R1.75 CSc1ccccc1OC(C)C 62a_100000173919_200000210301 [1,0,0,0,1,0|1,1,0]=4 16944 B12R1.75 CSc1ccccc1OC(C)C 62a_200000210301_100000173919 [1,0,0,0,1,0|1,1,0]=4 16945 B12R1.75 [13CH3]Oc1ccccc1OC(F)F 34a_100000752575_200025704644 [1,0,0,0,1,0|2,0,0]=4 16946 B12R1.75 [13CH3]Oc1ccccc1OC(F)F 7a_100000752575_200025704644 [1,0,0,0,1,0|2,0,0]=4 16947 B12R1.353 Cc1ccsc1SCC(O)CO 62a_100010247149_100011219619 [1,0,0,0,1,0|1,1,0]=4 16948 B12R1.353 Cc1ccsc1SCC(O)CO 62a_100011219619_100010247149 [1,0,0,0,1,0|1,1,0]=4 16949 B12R1.353 Cc1ccsc1SC[C@@H](O)CO 62a_100009815848_100010247149 [1,0,0,0,1,0|1,1,0]=4 16950 B12R1.353 Cc1ccsc1SC[C@@H](O)CO 62a_100010247149_100009815848 [1,0,0,0,1,0|1,1,0]=4 16951 B12R1.353 Cc1cscc1SCC(O)CO 62a_100000759966_100011219619 [1,0,0,0,1,0|1,1,0]=4 16952 B12R1.353 Cc1cscc1SCC(O)CO 62a_100011219619_100000759966 [1,0,0,0,1,0|1,1,0]=4 16953 B12R1.353 Cc1cscc1SC[C@@H](O)CO 62a_100000759966_100009815848 [1,0,0,0,1,0|1,1,0]=4 16954 B12R1.353 Cc1cscc1SC[C@@H](O)CO 62a_100009815848_100000759966 [1,0,0,0,1,0|1,1,0]=4 16955 B12R1.353 Cc1sccc1SCC(O)CO 62a_100000684487_100011219619 [1,0,0,0,1,0|1,1,0]=4 16956 B12R1.353 Cc1sccc1SCC(O)CO 62a_100011219619_100000684487 [1,0,0,0,1,0|1,1,0]=4 16957 B12R1.353 Cc1sccc1SC[C@@H](O)CO 62a_100000684487_100009815848 [1,0,0,0,1,0|1,1,0]=4 16958 B12R1.353 Cc1sccc1SC[C@@H](O)CO 62a_100009815848_100000684487 [1,0,0,0,1,0|1,1,0]=4 16959 B12R1.353 Cn1nccc1OCC(O)CO 34a_100020632926_100011219619 [1,0,0,0,1,0|2,0,0]=4 16960 B12R1.353 Cn1nccc1OC[C@@H](O)CO 34a_100020632926_100009815848 [1,0,0,0,1,0|2,0,0]=4 16961 B12R1.371 CC(CO)Nc1ccccc1O 34a_100000185747_100012180447 [1,0,0,0,1,0|2,0,0]=4 16962 B12R1.371 CC(CO)Oc1ccccc1Br 34a_100000181306_100012180447 [1,0,0,0,1,0|2,0,0]=4 16963 B12R1.371 CC(CO)Oc1ccccc1Br 7a_100000181306_100012180447 [1,0,0,0,1,0|2,0,0]=4 16964 B12R1.371 CC(CO)Oc1ccccc1Cl 34a_100000210172_100012180447 [1,0,0,0,1,0|2,0,0]=4 16965 B12R1.371 CC(CO)Oc1ccccc1Cl 7a_100000210172_100012180447 [1,0,0,0,1,0|2,0,0]=4 16966 B12R1.371 CC(CO)Oc1ccccc1F 34a_100000210171_100012180447 [1,0,0,0,1,0|2,0,0]=4 16967 B12R1.371 CC(CO)Oc1ccccc1F 7a_100000210171_100012180447 [1,0,0,0,1,0|2,0,0]=4 16968 B12R1.371 CC(CO)Oc1ccccc1I 34a_100000739446_100012180447 [1,0,0,0,1,0|2,0,0]=4 16969 B12R1.371 CC(CO)Oc1ccccc1I 7a_100000739446_100012180447 [1,0,0,0,1,0|2,0,0]=4 16970 B12R1.371 CC(CO)Oc1ccccc1N 34a_100000185747_100012180447 [1,0,0,0,1,0|2,0,0]=4 16971 B12R1.371 CC(CO)Oc1ccccc1N 7a_100000185747_100012180447 [1,0,0,0,1,0|2,0,0]=4 16972 B12R1.371 CC(CO)Sc1ccccc1O 62a_100012180447_100000739446 [1,0,0,0,1,0|1,1,0]=4 16973 B12R1.371 CCC(C)Oc1ccccc1C 34a_100000210338_100011215416 [1,0,0,0,1,0|2,0,0]=4 16974 B12R1.371 CCC(C)Oc1ccccc1C 7a_100000210338_100000758301 [1,0,0,0,1,0|2,0,0]=4 16975 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100000739446_100016084084 [1,0,0,0,1,0|1,1,0]=4 16976 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100016084084_100000739446 [1,0,0,0,1,0|1,1,0]=4 16977 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [1,0,0,0,1,0|0,0,2]=4 16978 B12R1.371 Cc1ccccc1NC(C)CO 34a_100015192222_100012180447 [1,0,0,0,1,0|2,0,0]=4 16979 B12R1.371 Cc1ccccc1OC(C)CO 34a_100000210338_100012180447 [1,0,0,0,1,0|1,0,0]=3 16980 B12R1.371 Cc1ccccc1OC(C)CO 7a_100000210338_100012180447 [1,0,0,0,1,0|1,0,0]=3 16981 B12R1.371 Cc1ccccc1SC(C)CO 62a_100012180447_100000210755 [1,0,0,0,1,0|1,1,0]=4 16982 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100000210755_100016084084 [1,0,0,0,1,0|1,1,0]=4 16983 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100016084084_100000210755 [1,0,0,0,1,0|1,1,0]=4 16984 B12R1.371 Cc1ccncc1OC(C)CO 34a_100011997053_100012180447 [1,0,0,0,1,0|2,0,0]=4 16985 B12R1.371 Cc1ccncc1OC(C)CO 7a_100011997053_100012180447 [1,0,0,0,1,0|2,0,0]=4 16986 B12R1.371 Cc1cnccc1OC(C)CO 34a_100000694293_100012180447 [1,0,0,0,1,0|2,0,0]=4 16987 B12R1.371 Cc1ncccc1OC(C)CO 34a_100000745507_100012180447 [1,0,0,0,1,0|2,0,0]=4 16988 B12R1.371 Cc1ncccc1OC(C)CO 7a_100000745507_100012180447 [1,0,0,0,1,0|2,0,0]=4 16989 B12R1.77 CCC(C)c1ccccc1OC 7a_100000211618_200000210301 [0,0,0,0,2,0|2,0,0]=4 16990 B12R1.77 CCC(C)c1ccccc1O[13CH3] 7a_100000211618_200025704644 [0,0,0,0,2,0|2,0,0]=4 16991 B12R1.77 CSc1ccccc1C(O)CN 62a_100011236429_200000210301 [0,0,0,0,2,0|1,1,0]=4 16992 B12R1.77 CSc1ccccc1C(O)CN 62a_200000210301_100011236429 [0,0,0,0,2,0|1,1,0]=4 16993 B12R1.77 CSc1ccccc1[C@H](N)CO 62a_100161155918_200000210301 [0,0,0,0,2,0|1,1,0]=4 16994 B12R1.77 CSc1ccccc1[C@H](N)CO 62a_200000210301_100161155918 [0,0,0,0,2,0|1,1,0]=4 16995 B12R1.77 [13CH3]Sc1ccccc1C(O)CN 62a_100011236429_200025704644 [0,0,0,0,2,0|1,1,0]=4 16996 B12R1.77 [13CH3]Sc1ccccc1C(O)CN 62a_200025704644_100011236429 [0,0,0,0,2,0|1,1,0]=4 16997 B12R1.77 [13CH3]Sc1ccccc1[C@H](N)CO 62a_100161155918_200025704644 [0,0,0,0,2,0|1,1,0]=4 16998 B12R1.77 [13CH3]Sc1ccccc1[C@H](N)CO 62a_200025704644_100161155918 [0,0,0,0,2,0|1,1,0]=4 16999 B16R1.3910 C=CC(O)COCCc1ccccc1OC 34a_100011218620_100000730141 [0,0,0,0,0,2|1,0,1]=4 17000 B16R1.3910 C=CC(O)COCCc1ccccc1OC 7a_100011218620_100000730141 [0,0,0,0,0,2|1,0,1]=4 17001 B16R1.3910 CCC(C)CCOCc1ccccc1OC 7a_100011215188_100000210004 [0,0,0,0,0,2|2,0,0]=4 17002 B16R1.3910 CCC(C)COCCc1ccccc1OC 34a_100011218620_100000748023 [0,0,0,0,0,2|2,0,0]=4 17003 B16R1.3910 CCC(C)COCCc1ccccc1OC 7a_100011218620_100000748023 [0,0,0,0,0,2|2,0,0]=4 17004 B16R1.3910 CCC(C)NCCOc1ccccc1OC 2230a_100000209981_100000188471 [0,0,0,0,0,2|2,0,0]=4 17005 B16R1.3910 CCC(C)NCCOc1ccccc1OC 2230a_100000683763_100000758301 [0,0,0,0,0,2|2,0,0]=4 17006 B16R1.3910 CCC(C)NCCOc1ccccc1OC 34a_100000683763_100011215416 [0,0,0,0,0,2|2,0,0]=4 17007 B16R1.3910 CCC(C)OCCOc1ccccc1OC 7a_100000210228_100000188471 [0,0,0,0,0,2|2,0,0]=4 17008 B16R1.3910 CCC(C)SCCOc1ccccc1OC 62a_100000188471_100000758301 [0,0,0,0,0,2|2,0,0]=4 17009 B16R1.3910 CCC(C)SCCOc1ccccc1OC 62a_100000758301_100000188471 [0,0,0,0,0,2|2,0,0]=4 17010 B16R1.3910 CCC(O)CNCCc1ccccc1OC 2230a_100000211851_100011218378 [0,0,0,0,0,2|2,0,0]=4 17011 B16R1.3910 CCC(O)CNCCc1ccccc1OC 2230a_100011218483_100011713687 [0,0,0,0,0,2|2,0,0]=4 17012 B16R1.3910 CCC(O)CNCCc1ccccc1OC 270004a_100011218483_100011713418 [0,0,0,0,0,2|2,0,0]=4 17013 B16R1.3910 CCC(O)CNCCc1ccccc1OC 34a_100000211851_100011218378 [0,0,0,0,0,2|2,0,0]=4 17014 B16R1.3910 CCC(O)CNN=Cc1ccccc1OC 4a_100015206393_100000169842 [0,0,0,0,0,2|2,0,0]=4 17015 B16R1.3910 CCC(O)COCCc1ccccc1OC 34a_100011218620_100011218378 [0,0,0,0,0,2|1,0,0]=3 17016 B16R1.3910 CCC(O)COCCc1ccccc1OC 7a_100011218620_100011218378 [0,0,0,0,0,2|1,0,0]=3 17017 B16R1.3910 CCC(O)CSCCc1ccccc1OC 62a_100011218378_100011713687 [0,0,0,0,0,2|1,1,0]=4 17018 B16R1.3910 CCC(O)CSCCc1ccccc1OC 62a_100011713687_100011218378 [0,0,0,0,0,2|1,1,0]=4 17019 B16R1.3910 CC[C@H](C)COCCc1ccccc1OC 34a_100011218620_100009816398 [0,0,0,0,0,2|2,0,0]=4 17020 B16R1.3910 CC[C@H](C)COCCc1ccccc1OC 7a_100009816381_100011713687 [0,0,0,0,0,2|2,0,0]=4 17021 B16R1.3910 CC[C@H](C)COCCc1ccccc1OC 7a_100011218620_100009816398 [0,0,0,0,0,2|2,0,0]=4 17022 B16R1.3910 CCc1ccccc1CCNCC(O)CO 2230a_100011663701_100011219619 [0,0,0,0,0,2|2,0,0]=4 17023 B16R1.3910 CCc1ccccc1CCNCC(O)CO 34a_100011663701_100011219619 [0,0,0,0,0,2|2,0,0]=4 17024 B16R1.3910 CCc1ccccc1CCNC[C@@H](O)CO 2230a_100011663701_100009815848 [0,0,0,0,0,2|2,0,0]=4 17025 B16R1.3910 CCc1ccccc1CCNC[C@@H](O)CO 34a_100011663701_100009815848 [0,0,0,0,0,2|2,0,0]=4 17026 B16R1.3910 COc1ccccc1C=CCN[C@H](C)CO 270004a_100000737577_100000210733 [0,0,0,0,0,2|2,0,0]=4 17027 B16R1.3910 COc1ccccc1CCCN[C@H](C)CO 270004a_100000737577_100011713476 [0,0,0,0,0,2|2,0,0]=4 17028 B16R1.3910 COc1ccccc1CCCOC(C)CO 34a_100011709264_100012180447 [0,0,0,0,0,2|2,0,0]=4 17029 B16R1.3910 COc1ccccc1CCCOC(C)CO 7a_100011709264_100012180447 [0,0,0,0,0,2|2,0,0]=4 17030 B16R1.3910 COc1ccccc1CCNCC(C)CO 34a_100000744482_100011713687 [0,0,0,0,0,2|2,0,0]=4 17031 B16R1.3910 COc1ccccc1CCNCC(O)CO 2230a_100000211851_100011219619 [0,0,0,0,0,2|1,0,0]=3 17032 B16R1.3910 COc1ccccc1CCNCC(O)CO 34a_100000211851_100011219619 [0,0,0,0,0,2|1,0,0]=3 17033 B16R1.3910 COc1ccccc1CCNC[C@@H](C)CO 2230a_100000211851_100000059175 [0,0,0,0,0,2|2,0,0]=4 17034 B16R1.3910 COc1ccccc1CCNC[C@@H](C)CO 34a_100000211851_100000059175 [0,0,0,0,0,2|2,0,0]=4 17035 B16R1.3910 COc1ccccc1CCNC[C@@H](F)CO 270004a_100015665980_100011713418 [0,0,0,0,0,2|2,0,0]=4 17036 B16R1.3910 COc1ccccc1CCNC[C@@H](F)CO 34a_100015665980_100011713687 [0,0,0,0,0,2|2,0,0]=4 17037 B16R1.3910 COc1ccccc1CCNC[C@@H](O)CF 2230a_100000211851_100015614560 [0,0,0,0,0,2|2,0,0]=4 17038 B16R1.3910 COc1ccccc1CCNC[C@@H](O)CF 34a_100000211851_100015614560 [0,0,0,0,0,2|2,0,0]=4 17039 B16R1.3910 COc1ccccc1CCNC[C@@H](O)CO 2230a_100000211851_100009815848 [0,0,0,0,0,2|1,0,0]=3 17040 B16R1.3910 COc1ccccc1CCNC[C@@H](O)CO 34a_100000211851_100009815848 [0,0,0,0,0,2|1,0,0]=3 17041 B16R1.3910 COc1ccccc1CCNC[C@H](O)CO 2230a_100020644852_100011713687 [0,0,0,0,0,2|1,0,0]=3 17042 B16R1.3910 COc1ccccc1CCOCC(C)CN 34a_100000744482_100011713687 [0,0,0,0,0,2|2,0,0]=4 17043 B16R1.3910 COc1ccccc1CCOCC(Cl)CCl 34a_100000033668_100011713687 [0,0,0,0,0,2|2,0,0]=4 17044 B16R1.3910 COc1ccccc1CCOCC(O)CO 34a_100011218620_100011219619 [0,0,0,0,0,2|0,0,0]=2 17045 B16R1.3910 COc1ccccc1CCOCC(O)CO 7a_100011218620_100011219619 [0,0,0,0,0,2|0,0,0]=2 17046 B16R1.3910 COc1ccccc1CCOC[C@@H](C)CO 34a_100011218620_100000059175 [0,0,0,0,0,2|1,0,0]=3 17047 B16R1.3910 COc1ccccc1CCOC[C@@H](C)CO 7a_100011218620_100000059175 [0,0,0,0,0,2|1,0,0]=3 17048 B16R1.3910 COc1ccccc1CCOC[C@@H](O)CF 34a_100011218620_100015614560 [0,0,0,0,0,2|1,0,0]=3 17049 B16R1.3910 COc1ccccc1CCOC[C@@H](O)CF 7a_100011218620_100015614560 [0,0,0,0,0,2|1,0,0]=3 17050 B16R1.3910 COc1ccccc1CCOC[C@@H](O)CO 34a_100011218620_100009815848 [0,0,0,0,0,2|0,0,0]=2 17051 B16R1.3910 COc1ccccc1CCOC[C@@H](O)CO 7a_100011218620_100009815848 [0,0,0,0,0,2|0,0,0]=2 17052 B16R1.3910 COc1ccccc1CCOC[C@H](F)CN 34a_100015665980_100011713687 [0,0,0,0,0,2|2,0,0]=4 17053 B16R1.3910 COc1ccccc1CCSCC(O)CO 62a_100011219619_100011713687 [0,0,0,0,0,2|0,1,0]=3 17054 B16R1.3910 COc1ccccc1CCSCC(O)CO 62a_100011713687_100011219619 [0,0,0,0,0,2|0,1,0]=3 17055 B16R1.3910 COc1ccccc1CCSC[C@@H](C)CO 62a_100000059175_100011713687 [0,0,0,0,0,2|1,1,0]=4 17056 B16R1.3910 COc1ccccc1CCSC[C@@H](C)CO 62a_100011713687_100000059175 [0,0,0,0,0,2|1,1,0]=4 17057 B16R1.3910 COc1ccccc1CCSC[C@@H](O)CF 62a_100011713687_100015614560 [0,0,0,0,0,2|1,1,0]=4 17058 B16R1.3910 COc1ccccc1CCSC[C@@H](O)CF 62a_100015614560_100011713687 [0,0,0,0,0,2|1,1,0]=4 17059 B16R1.3910 COc1ccccc1CCSC[C@@H](O)CO 62a_100009815848_100011713687 [0,0,0,0,0,2|0,1,0]=3 17060 B16R1.3910 COc1ccccc1CCSC[C@@H](O)CO 62a_100011713687_100009815848 [0,0,0,0,0,2|0,1,0]=3 17061 B16R1.3910 COc1ccccc1CNCCC(C)CO 207a_106354213184_100000169842 [0,0,0,0,0,2|2,0,0]=4 17062 B16R1.3910 COc1ccccc1CNCCC(C)CO 2230a_106354213184_100000210004 [0,0,0,0,0,2|2,0,0]=4 17063 B16R1.3910 COc1ccccc1CNCCC(C)CO 270004a_106354213184_100000169842 [0,0,0,0,0,2|2,0,0]=4 17064 B16R1.3910 COc1ccccc1CNCCC(C)CO 34a_106354213184_100000210004 [0,0,0,0,0,2|2,0,0]=4 17065 B16R1.3910 COc1ccccc1CNN=CC(O)CO 4a_100020605366_100000033539 [0,0,0,0,0,2|1,0,1]=4 17066 B16R1.3910 COc1ccccc1OCCCC(=O)CO 1458a_100000210174_100011259231 [0,0,0,0,0,2|0,0,2]=4 17067 B16R1.3910 COc1ccccc1OCCNC(=O)CO 240690a_100000683763_100000210174 [0,0,0,0,0,2|0,0,2]=4 17068 B16R1.3910 COc1ccccc1OCCNC(=O)CO 527a_100000683763_100000210174 [0,0,0,0,0,2|0,0,2]=4 17069 B16R1.3910 COc1ccccc1OCCNC(C)CO 2230a_100000683763_100012180447 [0,0,0,0,0,2|1,0,0]=3 17070 B16R1.3910 COc1ccccc1OCCNC(C)CO 34a_100000683763_100012180447 [0,0,0,0,0,2|1,0,0]=3 17071 B16R1.3910 COc1ccccc1OCCN[C@H](C)CO 2230a_100000737577_100000188471 [0,0,0,0,0,2|1,0,0]=3 17072 B16R1.3910 COc1ccccc1OCCOC(C)CF 34a_100016041109_100000188471 [0,0,0,0,0,2|2,0,0]=4 17073 B16R1.3910 COc1ccccc1OCCOC(C)CF 7a_100016041109_100000188471 [0,0,0,0,0,2|2,0,0]=4 17074 B16R1.3910 COc1ccccc1OCCOC(C)CN 34a_100000210904_100000188471 [0,0,0,0,0,2|2,0,0]=4 17075 B16R1.3910 COc1ccccc1OCCSC(C)CO 62a_100012180447_100000188471 [0,0,0,0,0,2|1,0,0]=3 17076 B16R1.3910 COc1ccccc1OCCS[C@H](C)CO 62a_100000188471_100016084084 [0,0,0,0,0,2|1,0,0]=3 17077 B16R1.3910 COc1ccccc1OCCS[C@H](C)CO 62a_100016084084_100000188471 [0,0,0,0,0,2|1,0,0]=3 17078 B16R1.3910 COc1ccccc1SCCOC(C)CO 7a_200011448452_100012180447 [0,0,0,0,0,2|1,1,0]=4 17079 B16R1.3910 CSc1ccccc1OCCNC(C)CO 2230a_100011893647_100012180447 [0,0,0,0,0,2|1,1,0]=4 17080 B16R1.3910 CSc1ccccc1OCCNC(C)CO 34a_100011893647_100012180447 [0,0,0,0,0,2|1,1,0]=4