0 B13R1.7553 CC(=O)C(C)Sc1c(noc1C)C 62a_100000694658_100009814033 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.7553 CC(=O)C(C)Sc1c(noc1C)C 62a_100009814033_100000694658 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.7553 CC(=O)C(C)Sc1c(noc1C)N 62a_100009814033_100011216220 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.7553 CC(=O)C(C)Sc1c(noc1C)N 62a_100011216220_100009814033 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.7553 CC(=O)C(C)Sc1c(noc1C)O 62a_100009814033_100010730664 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.7553 CC(=O)C(C)Sc1c(noc1C)O 62a_100010730664_100009814033 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.7553 CC(=O)N(C)Cc1c(noc1C)C 11a_100015185328_100015343762 [0,0,0,0,0,0|4,0,0]=4 7 B13R1.7553 CC(=O)N(C)Cc1c(noc1C)C 240690a_100015185328_100015343762 [0,0,0,0,0,0|4,0,0]=4 8 B13R1.7553 CC(=O)N(C)Cc1c(noc1C)C 527a_100015185328_100103153847 [0,0,0,0,0,0|4,0,0]=4 9 B13R1.7553 Cc1noc(c1SC(C)C(=O)N)C 62a_100000694658_100000702099 [0,0,0,0,0,0|4,0,0]=4 10 B13R1.7553 Cc1noc(c1SC(C)C(=O)N)C 62a_100000702099_100000694658 [0,0,0,0,0,0|4,0,0]=4 11 B13R1.7553 Cc1noc(c1SC(F)C(=O)N)C 62a_100000694658_100009813875 [0,0,0,0,0,0|4,0,0]=4 12 B13R1.7553 Cc1noc(c1SC(F)C(=O)N)C 62a_100009813875_100000694658 [0,0,0,0,0,0|4,0,0]=4 13 B13R1.7553 Cc1noc(c1SC(F)C(=O)[O-])C 62a_100000694658_100020610796 [0,0,0,0,0,0|3,0,1]=4 14 B13R1.7553 Cc1noc(c1SC(F)C(=O)[O-])C 62a_100020610796_100000694658 [0,0,0,0,0,0|3,0,1]=4 15 B13R1.7553 Cc1onc(c1SC(C)C(=O)N)N 62a_100000702099_100011216220 [0,0,0,0,0,0|4,0,0]=4 16 B13R1.7553 Cc1onc(c1SC(C)C(=O)N)N 62a_100011216220_100000702099 [0,0,0,0,0,0|4,0,0]=4 17 B13R1.7553 Cc1onc(c1SC(C)C(=O)N)O 62a_100000702099_100010730664 [0,0,0,0,0,0|3,0,0]=3 18 B13R1.7553 Cc1onc(c1SC(C)C(=O)N)O 62a_100010730664_100000702099 [0,0,0,0,0,0|3,0,0]=3 19 B13R1.7553 Cc1onc(c1SC(F)C(=O)N)N 62a_100009813875_100011216220 [0,0,0,0,0,0|4,0,0]=4 20 B13R1.7553 Cc1onc(c1SC(F)C(=O)N)N 62a_100011216220_100009813875 [0,0,0,0,0,0|4,0,0]=4 21 B13R1.7553 Cc1onc(c1SC(F)C(=O)N)O 62a_100009813875_100010730664 [0,0,0,0,0,0|3,0,0]=3 22 B13R1.7553 Cc1onc(c1SC(F)C(=O)N)O 62a_100010730664_100009813875 [0,0,0,0,0,0|3,0,0]=3 23 B13R1.7553 Cc1onc(c1SC(F)C(=O)[O-])N 62a_100011216220_100020610796 [0,0,0,0,0,0|3,0,1]=4 24 B13R1.7553 Cc1onc(c1SC(F)C(=O)[O-])N 62a_100020610796_100011216220 [0,0,0,0,0,0|3,0,1]=4 25 B13R1.7553 Cc1onc(c1SC(F)C(=O)[O-])O 62a_100010730664_100020610796 [0,0,0,0,0,0|2,0,1]=3 26 B13R1.7553 Cc1onc(c1SC(F)C(=O)[O-])O 62a_100020610796_100010730664 [0,0,0,0,0,0|2,0,1]=3 27 B12R1.145 CC(=O)C(C)Sc1cnoc1C 62a_100009814033_100009872056 [1,0,0,0,0,0|3,0,0]=4 28 B12R1.145 CC(=O)C(C)Sc1cnoc1C 62a_100009872056_100009814033 [1,0,0,0,0,0|3,0,0]=4 29 B12R1.145 Cc1oncc1SC(C)C(=O)N 62a_100000702099_100009872056 [1,0,0,0,0,0|3,0,0]=4 30 B12R1.145 Cc1oncc1SC(C)C(=O)N 62a_100009872056_100000702099 [1,0,0,0,0,0|3,0,0]=4 31 B12R1.145 Cc1oncc1SC(F)C(=O)N 62a_100009813875_100009872056 [1,0,0,0,0,0|3,0,0]=4 32 B12R1.145 Cc1oncc1SC(F)C(=O)N 62a_100009872056_100009813875 [1,0,0,0,0,0|3,0,0]=4 33 B12R1.145 Cc1oncc1SC(F)C(=O)[O-] 62a_100009872056_100020610796 [1,0,0,0,0,0|2,0,1]=4 34 B12R1.145 Cc1oncc1SC(F)C(=O)[O-] 62a_100020610796_100009872056 [1,0,0,0,0,0|2,0,1]=4 35 B12R1.895 C=C(C)CSc1c(noc1C)O 62a_100000748629_100010730664 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.895 C=C(C)CSc1c(noc1C)O 62a_100010730664_100000211660 [1,0,0,0,0,0|3,0,0]=4 37 B12R1.895 C=C(F)CSc1c(noc1C)O 62a_100000042424_100010730664 [1,0,0,0,0,0|3,0,0]=4 38 B12R1.895 C=C(F)CSc1c(noc1C)O 62a_100010730664_100000042424 [1,0,0,0,0,0|3,0,0]=4 39 B12R1.895 CC(=O)CCc1c(n[nH]c1C)C 1458a_100000070787_100011219447 [1,0,0,0,0,0|3,0,0]=4 40 B12R1.895 CC(=O)CCc1c(n[nH]c1C)C 1458a_100000189673_200000210301 [1,0,0,0,0,0|3,0,0]=4 41 B12R1.895 CC(=O)CCc1c(noc1C)C 1458a_100000189609_200000210301 [1,0,0,0,0,0|2,0,0]=3 42 B12R1.895 CC(=O)NCc1c(noc1C)C 11a_100000174930_100015343762 [1,0,0,0,0,0|3,0,0]=4 43 B12R1.895 CC(=O)NCc1c(noc1C)C 1626a_100000174930_100015343762 [1,0,0,0,0,0|3,0,0]=4 44 B12R1.895 CC(=O)NCc1c(noc1C)C 240690a_100000174930_100015343762 [1,0,0,0,0,0|3,0,0]=4 45 B12R1.895 CC(=O)NCc1c(noc1C)C 527a_100000174930_100103153847 [1,0,0,0,0,0|3,0,0]=4 46 B12R1.895 Cc1n[nH]c(c1CCC(=O)[13CH3])C 1458a_100000189673_200025704644 [1,0,0,0,0,0|3,0,0]=4 47 B12R1.895 Cc1noc(c1CCC(=O)[13CH3])C 1458a_100000189609_200025704644 [1,0,0,0,0,0|2,0,0]=3 48 B12R1.895 Cc1noc(c1SCC(=O)N)C 62a_100000694658_100000747473 [1,0,0,0,0,0|3,0,0]=4 49 B12R1.895 Cc1noc(c1SCC(=O)N)C 62a_100000747473_100000694658 [1,0,0,0,0,0|3,0,0]=4 50 B12R1.895 Cc1noc(c1SCC(=O)[O-])C 62a_100000694658_100020667443 [1,0,0,0,0,0|2,0,1]=4 51 B12R1.895 Cc1noc(c1SCC(=O)[O-])C 62a_100020667443_100000694658 [1,0,0,0,0,0|2,0,1]=4 52 B12R1.895 Cc1onc(c1SCC(=O)N)N 62a_100000747473_100011216220 [1,0,0,0,0,0|3,0,0]=4 53 B12R1.895 Cc1onc(c1SCC(=O)N)N 62a_100011216220_100000747473 [1,0,0,0,0,0|3,0,0]=4 54 B12R1.895 Cc1onc(c1SCC(=O)N)O 62a_100000747473_100010730664 [1,0,0,0,0,0|2,0,0]=3 55 B12R1.895 Cc1onc(c1SCC(=O)N)O 62a_100010730664_100000747473 [1,0,0,0,0,0|2,0,0]=3 56 B12R1.895 Cc1onc(c1SCC(=O)[O-])N 62a_100011216220_100020667443 [1,0,0,0,0,0|2,0,1]=4 57 B12R1.895 Cc1onc(c1SCC(=O)[O-])N 62a_100020667443_100011216220 [1,0,0,0,0,0|2,0,1]=4 58 B12R1.895 Cc1onc(c1SCC(=O)[O-])O 62a_100010730664_100020667443 [1,0,0,0,0,0|1,0,1]=3 59 B12R1.895 Cc1onc(c1SCC(=O)[O-])O 62a_100020667443_100010730664 [1,0,0,0,0,0|1,0,1]=3 60 B12R1.895 Cc1onc(c1SCC(C)O)O 62a_100010730664_100011218427 [1,0,0,0,0,0|2,0,1]=4 61 B12R1.895 Cc1onc(c1SCC(C)O)O 62a_100011218427_100010730664 [1,0,0,0,0,0|2,0,1]=4 62 B12R1.895 Cc1onc(c1SC[C@@H](C)O)O 62a_100009817552_100010730664 [1,0,0,0,0,0|2,0,1]=4 63 B12R1.895 Cc1onc(c1SC[C@@H](C)O)O 62a_100010730664_100009817552 [1,0,0,0,0,0|2,0,1]=4 64 B12R1.895 Cc1onc(c1SC[N+](=O)[O-])O 62a_100010730664_100000761209 [1,0,0,0,0,0|2,0,1]=4 65 B12R1.2217 C=CC(C)Sc1c(noc1C)O 62a_100011215867_100010730664 [1,0,0,0,0,0|3,0,0]=4 66 B12R1.2217 Cc1onc(c1SC(C)CO)O 62a_100012180447_100010730664 [1,0,0,0,0,0|2,0,1]=4 67 B12R1.2217 Cc1onc(c1S[C@H](C)CO)O 62a_100010730664_100016084084 [1,0,0,0,0,0|2,0,1]=4 68 B12R1.2217 Cc1onc(c1S[C@H](C)CO)O 62a_100016084084_100010730664 [1,0,0,0,0,0|2,0,1]=4 69 B14R1.9322 CCC(Sc1c(noc1C)O)C(=O)N 62a_100000750255_100010730664 [0,1,0,0,0,0|3,0,0]=4 70 B14R1.9322 CCC(Sc1c(noc1C)O)C(=O)N 62a_100010730664_100000750255 [0,1,0,0,0,0|3,0,0]=4 71 B14R1.13089 CCC(=O)C(C)Sc1c(noc1C)O 62a_100000742827_100010730664 [0,1,0,0,0,0|3,0,0]=4 72 B14R1.13089 CCC(=O)C(C)Sc1c(noc1C)O 62a_100010730664_100000742827 [0,1,0,0,0,0|3,0,0]=4 73 B14R1.13089 CNC(=O)C(C)Sc1c(noc1C)O 62a_100000209862_100010730664 [0,1,0,0,0,0|3,0,0]=4 74 B14R1.13089 CNC(=O)C(C)Sc1c(noc1C)O 62a_100010730664_100000731044 [0,1,0,0,0,0|3,0,0]=4 75 B14R1.13089 CNC(=O)C(F)Sc1c(noc1C)O 62a_100009813575_100010730664 [0,1,0,0,0,0|3,0,0]=4 76 B14R1.13089 CNC(=O)C(F)Sc1c(noc1C)O 62a_100010730664_100009813575 [0,1,0,0,0,0|3,0,0]=4 77 B14R1.13089 COC(=O)C(C)Sc1c(noc1C)C 62a_100000211248_100000694658 [0,1,0,0,0,0|3,0,0]=4 78 B14R1.13089 COC(=O)C(C)Sc1c(noc1C)C 62a_100000694658_100000211248 [0,1,0,0,0,0|3,0,0]=4 79 B14R1.13089 COC(=O)C(C)Sc1c(noc1C)N 62a_100000211248_100011216220 [0,1,0,0,0,0|3,0,0]=4 80 B14R1.13089 COC(=O)C(C)Sc1c(noc1C)N 62a_100011216220_100000211248 [0,1,0,0,0,0|3,0,0]=4 81 B14R1.13089 COC(=O)C(C)Sc1c(noc1C)O 62a_100000211248_100010730664 [0,1,0,0,0,0|2,0,0]=3 82 B14R1.13089 COC(=O)C(C)Sc1c(noc1C)O 62a_100010730664_100000211248 [0,1,0,0,0,0|2,0,0]=3 83 B14R1.13089 Cc1noc(c1CN(C)C(=O)CO)C 240690a_100015185328_100000210174 [0,1,0,0,0,0|3,0,0]=4 84 B14R1.13089 Cc1noc(c1CN(C)C(=O)CO)C 527a_100015185328_100000210174 [0,1,0,0,0,0|3,0,0]=4 85 B14R1.13384 CC(=O)C(C)(C)Sc1c(noc1C)O 62a_100000075568_100010730664 [0,1,0,0,0,0|3,0,0]=4 86 B14R1.13384 CC(=O)C(C)(C)Sc1c(noc1C)O 62a_100010730664_100000075568 [0,1,0,0,0,0|3,0,0]=4 87 B14R1.13384 Cc1onc(c1SC(C)(C)C(=O)N)O 62a_100000702505_100010730664 [0,1,0,0,0,0|3,0,0]=4 88 B14R1.13384 Cc1onc(c1SC(C)(C)C(=O)N)O 62a_100010730664_100000702505 [0,1,0,0,0,0|3,0,0]=4 89 B14R1.13384 Cc1onc(c1SC(F)(F)C(=O)N)O 62a_100009811971_100010730664 [0,1,0,0,0,0|3,0,0]=4 90 B14R1.13384 Cc1onc(c1SC(F)(F)C(=O)N)O 62a_100010730664_100009811971 [0,1,0,0,0,0|3,0,0]=4 91 B14R1.13384 Cc1onc(c1SC(F)(F)C(=O)[O-])O 62a_100000745680_100010730664 [0,1,0,0,0,0|2,0,1]=4 92 B14R1.13384 Cc1onc(c1SC(F)(F)C(=O)[O-])O 62a_100010730664_100000745680 [0,1,0,0,0,0|2,0,1]=4 93 B14R2.8135 Cc1onc(c1SC2CCC2=O)O 62a_100009892977_100010730664 [0,0,0,1,0,0|3,0,0]=4 94 B14R2.8135 Cc1onc(c1SC2CCC2=O)O 62a_100010730664_100009892977 [0,0,0,1,0,0|3,0,0]=4 95 B14R1.4443 CC(=O)C(=O)CSc1c(noc1C)O 62a_100010730664_100011261029 [0,0,0,0,0,1|2,0,1]=4 96 B14R1.4443 CC(=O)C(=O)CSc1c(noc1C)O 62a_100011261029_100010730664 [0,0,0,0,0,1|2,0,1]=4 97 B14R1.4443 CC(=O)C(C)NCc1c(noc1C)C 2230a_100000174930_100009814033 [0,0,0,0,0,1|3,0,0]=4 98 B14R1.4443 CC(=O)C(C)OCc1c(noc1C)C 34a_100000212229_100000184612 [0,0,0,0,0,1|3,0,0]=4 99 B14R1.4443 CC(=O)C(C)SCc1c(noc1C)C 62a_100000184612_100009814033 [0,0,0,0,0,1|3,0,0]=4 100 B14R1.4443 CC(=O)C(C)SCc1c(noc1C)C 62a_100009814033_100000184612 [0,0,0,0,0,1|3,0,0]=4 101 B14R1.4443 Cc1noc(c1CNC(C)C(=O)N)C 2230a_100000174930_100000702099 [0,0,0,0,0,1|3,0,0]=4 102 B14R1.4443 Cc1noc(c1CNC(C)C(=O)N)C 34a_100000174930_100000702099 [0,0,0,0,0,1|3,0,0]=4 103 B14R1.4443 Cc1noc(c1CNC(F)C(=O)N)C 2230a_100000174930_100009813875 [0,0,0,0,0,1|3,0,0]=4 104 B14R1.4443 Cc1noc(c1CNC(F)C(=O)N)C 34a_100000174930_100009813875 [0,0,0,0,0,1|3,0,0]=4 105 B14R1.4443 Cc1noc(c1CNC(F)C(=O)[O-])C 34a_100000174930_100020610796 [0,0,0,0,0,1|2,0,1]=4 106 B14R1.4443 Cc1noc(c1CN[C@@H](C)C(=O)O)C 269956a_100000743915_100000184612 [0,0,0,0,0,1|2,0,0]=3 107 B14R1.4443 Cc1noc(c1CN[C@H](C)C(=O)N)C 2230a_100000119354_100000184612 [0,0,0,0,0,1|3,0,0]=4 108 B14R1.4443 Cc1noc(c1CN[C@H](C)C(=O)N)C 34a_100000119354_100000184612 [0,0,0,0,0,1|3,0,0]=4 109 B14R1.4443 Cc1noc(c1COC(C)C(=O)N)C 34a_100011219351_100000702099 [0,0,0,0,0,1|3,0,0]=4 110 B14R1.4443 Cc1noc(c1COC(F)C(=O)N)C 34a_100011219351_100009813875 [0,0,0,0,0,1|3,0,0]=4 111 B14R1.4443 Cc1noc(c1COC(F)C(=O)[O-])C 34a_100011219351_100020610796 [0,0,0,0,0,1|2,0,1]=4 112 B14R1.4443 Cc1noc(c1CO[C@@H](C)C(=O)[O-])C 7a_217856618621_100000184612 [0,0,0,0,0,1|2,0,1]=4 113 B14R1.4443 Cc1noc(c1CO[C@H](C)C(=O)N)C 34a_100000731257_100000184612 [0,0,0,0,0,1|3,0,0]=4 114 B14R1.4443 Cc1noc(c1CO[C@H](C)C(=O)N)C 7a_100000731257_100000184612 [0,0,0,0,0,1|3,0,0]=4 115 B14R1.4443 Cc1noc(c1CSC(C)C(=O)N)C 62a_100000184612_100000702099 [0,0,0,0,0,1|3,0,0]=4 116 B14R1.4443 Cc1noc(c1CSC(C)C(=O)N)C 62a_100000702099_100000184612 [0,0,0,0,0,1|3,0,0]=4 117 B14R1.4443 Cc1noc(c1CSC(F)C(=O)N)C 62a_100000184612_100009813875 [0,0,0,0,0,1|3,0,0]=4 118 B14R1.4443 Cc1noc(c1CSC(F)C(=O)N)C 62a_100009813875_100000184612 [0,0,0,0,0,1|3,0,0]=4 119 B14R1.4443 Cc1noc(c1CSC(F)C(=O)[O-])C 62a_100000184612_100020610796 [0,0,0,0,0,1|2,0,1]=4 120 B14R1.4443 Cc1noc(c1CSC(F)C(=O)[O-])C 62a_100020610796_100000184612 [0,0,0,0,0,1|2,0,1]=4 121 B14R1.9530 CC(=O)OC(C)Sc1c(noc1C)O 62a_100009818208_100010730664 [0,0,0,0,0,1|3,0,0]=4 122 B14R1.9530 CC(=O)OC(C)Sc1c(noc1C)O 62a_100010730664_100009818208 [0,0,0,0,0,1|3,0,0]=4 123 B14R1.9530 Cc1noc(c1CN(C)CC(=O)O)C 269956a_100000746989_100000184612 [0,0,0,0,0,1|3,0,0]=4 124 B11R1.90 Cc1oncc1SCC(=O)N 62a_100000747473_100009872056 [2,0,0,0,0,0|2,0,0]=4 125 B11R1.90 Cc1oncc1SCC(=O)N 62a_100009872056_100000747473 [2,0,0,0,0,0|2,0,0]=4 126 B11R1.90 Cc1oncc1SCC(=O)[O-] 62a_100009872056_100020667443 [2,0,0,0,0,0|1,0,1]=4 127 B11R1.90 Cc1oncc1SCC(=O)[O-] 62a_100020667443_100009872056 [2,0,0,0,0,0|1,0,1]=4 128 B11R1.465 C=CCSc1c(noc1C)O 62a_100000210623_100010730664 [2,0,0,0,0,0|2,0,0]=4 129 B11R1.465 C=CCSc1c(noc1C)O 62a_100010730664_100000210623 [2,0,0,0,0,0|2,0,0]=4 130 B11R1.465 CCCCc1c(noc1C)O 271570a_100020621405_100010730664 [2,0,0,0,0,0|1,0,1]=4 131 B11R1.465 Cc1noc(c1SCC=O)C 62a_100000694658_200015260668 [2,0,0,0,0,0|2,0,0]=4 132 B11R1.465 Cc1noc(c1SCC=O)C 62a_200015260668_100000694658 [2,0,0,0,0,0|2,0,0]=4 133 B11R1.465 Cc1onc(c1SCC=O)N 62a_100011216220_200015260668 [2,0,0,0,0,0|2,0,0]=4 134 B11R1.465 Cc1onc(c1SCC=O)N 62a_200015260668_100011216220 [2,0,0,0,0,0|2,0,0]=4 135 B11R1.465 Cc1onc(c1SCC=O)O 62a_100010730664_200015260668 [2,0,0,0,0,0|1,0,0]=3 136 B11R1.465 Cc1onc(c1SCC=O)O 62a_200015260668_100010730664 [2,0,0,0,0,0|1,0,0]=3 137 B11R1.465 Cc1onc(c1SCCO)O 62a_100000211926_100010730664 [2,0,0,0,0,0|1,0,1]=4 138 B11R1.465 Cc1onc(c1SCCO)O 62a_100010730664_100000211926 [2,0,0,0,0,0|1,0,1]=4 139 B13R1.704 COC(=O)C(C)Sc1cnoc1C 62a_100000211248_100009872056 [1,1,0,0,0,0|2,0,0]=4 140 B13R1.704 COC(=O)C(C)Sc1cnoc1C 62a_100009872056_100000211248 [1,1,0,0,0,0|2,0,0]=4 141 B13R1.2042 CCC(=O)CCc1c(noc1C)C 1458a_100000189609_100000210202 [1,1,0,0,0,0|2,0,0]=4 142 B13R1.2042 CCC(=O)CSc1c(noc1C)O 62a_100000747405_100010730664 [1,1,0,0,0,0|2,0,0]=4 143 B13R1.2042 CCC(=O)CSc1c(noc1C)O 62a_100010730664_100000747405 [1,1,0,0,0,0|2,0,0]=4 144 B13R1.2042 CNC(=O)CCc1c(noc1C)C 11a_106832991635_100000189609 [1,1,0,0,0,0|2,0,0]=4 145 B13R1.2042 CNC(=O)CCc1c(noc1C)C 1626a_100102657272_100000189609 [1,1,0,0,0,0|2,0,0]=4 146 B13R1.2042 CNC(=O)CCc1c(noc1C)C 240690a_100102657272_100000189609 [1,1,0,0,0,0|2,0,0]=4 147 B13R1.2042 CNC(=O)CCc1c(noc1C)C 527a_100102657272_100000189609 [1,1,0,0,0,0|2,0,0]=4 148 B13R1.2042 CNC(=O)CSc1c(noc1C)O 62a_100000183359_100010730664 [1,1,0,0,0,0|2,0,0]=4 149 B13R1.2042 CNC(=O)CSc1c(noc1C)O 62a_100010730664_100000183359 [1,1,0,0,0,0|2,0,0]=4 150 B13R1.2042 COC(=O)CSc1c(noc1C)C 62a_100000694658_100000747449 [1,1,0,0,0,0|2,0,0]=4 151 B13R1.2042 COC(=O)CSc1c(noc1C)C 62a_100000747449_100000694658 [1,1,0,0,0,0|2,0,0]=4 152 B13R1.2042 COC(=O)CSc1c(noc1C)N 62a_100000747449_100011216220 [1,1,0,0,0,0|2,0,0]=4 153 B13R1.2042 COC(=O)CSc1c(noc1C)N 62a_100011216220_100000747449 [1,1,0,0,0,0|2,0,0]=4 154 B13R1.2042 COC(=O)CSc1c(noc1C)O 62a_100000747449_100010730664 [1,1,0,0,0,0|1,0,0]=3 155 B13R1.2042 COC(=O)CSc1c(noc1C)O 62a_100010730664_100000747449 [1,1,0,0,0,0|1,0,0]=3 156 B13R1.2042 Cc1n[nH]c(c1CCC(=O)CO)C 1458a_100000210174_100011219447 [1,1,0,0,0,0|2,0,0]=4 157 B13R1.2042 Cc1noc(c1CCC(=O)CF)C 1458a_100000189609_100015361967 [1,1,0,0,0,0|2,0,0]=4 158 B13R1.2042 Cc1noc(c1CNC(=O)CO)C 240690a_100000174930_100000210174 [1,1,0,0,0,0|2,0,0]=4 159 B13R1.2042 Cc1noc(c1CNC(=O)CO)C 527a_100000174930_100000210174 [1,1,0,0,0,0|2,0,0]=4 160 B13R1.7521 Cc1onc(c1SC(C=O)C=O)O 62a_100000736813_100010730664 [1,1,0,0,0,0|2,0,0]=4 161 B13R1.7521 Cc1onc(c1SC(C=O)C=O)O 62a_100010730664_100000736813 [1,1,0,0,0,0|2,0,0]=4 162 B15R1.13542 C=C[C@H](NCc1c(noc1C)C)C(=O)O 269956a_100016992060_100000184612 [0,1,0,0,0,1|2,0,0]=4 163 B15R1.13542 CC[C@@H](NCc1c(noc1C)C)C(=O)O 269956a_100000747097_100000184612 [0,1,0,0,0,1|2,0,0]=4 164 B15R1.13542 Cc1noc(c1CNC(CO)C(=O)O)C 269956a_100000187304_100000184612 [0,1,0,0,0,1|2,0,0]=4 165 B15R1.23045 Cc1noc(c1CN(C)C(C)C(=O)O)C 269956a_100000749554_100000184612 [0,1,0,0,0,1|2,0,0]=4 166 B15R1.23307 Cc1onc(c1SCC(C)(C)C(=O)N)O 62a_100010730664_200009895572 [0,1,0,0,0,1|2,0,0]=4 167 B15R1.23307 Cc1onc(c1SCC(C)(C)C(=O)N)O 62a_200009895572_100010730664 [0,1,0,0,0,1|2,0,0]=4 168 B15R1.40526 C=C(CSc1c(noc1C)O)C(=O)OC 62a_100009813391_100010730664 [0,1,0,0,0,1|1,0,1]=4 169 B15R1.40526 C=C(CSc1c(noc1C)O)C(=O)OC 62a_100010730664_100009813391 [0,1,0,0,0,1|1,0,1]=4 170 B15R1.40526 COC(=O)C(=O)CSc1c(noc1C)O 62a_100010730664_100011610305 [0,1,0,0,0,1|1,0,1]=4 171 B15R1.40526 COC(=O)C(=O)CSc1c(noc1C)O 62a_100011610305_100010730664 [0,1,0,0,0,1|1,0,1]=4 172 B15R1.40526 COC(=O)C(C)CSc1c(noc1C)C 62a_100000694658_100000698445 [0,1,0,0,0,1|2,0,0]=4 173 B15R1.40526 COC(=O)C(C)CSc1c(noc1C)C 62a_100000698445_100000694658 [0,1,0,0,0,1|2,0,0]=4 174 B15R1.40526 COC(=O)C(C)CSc1c(noc1C)N 62a_100000698445_100011216220 [0,1,0,0,0,1|2,0,0]=4 175 B15R1.40526 COC(=O)C(C)CSc1c(noc1C)N 62a_100011216220_100000698445 [0,1,0,0,0,1|2,0,0]=4 176 B15R1.40526 COC(=O)C(C)CSc1c(noc1C)O 62a_100000698445_100010730664 [0,1,0,0,0,1|1,0,0]=3 177 B15R1.40526 COC(=O)C(C)CSc1c(noc1C)O 62a_100010730664_100000698445 [0,1,0,0,0,1|1,0,0]=3 178 B15R1.40526 COC(=O)C(C)NCc1c(noc1C)C 2230a_100000174930_100000211248 [0,1,0,0,0,1|2,0,0]=4 179 B15R1.40526 COC(=O)C(C)NCc1c(noc1C)C 34a_100000174930_100000211248 [0,1,0,0,0,1|2,0,0]=4 180 B15R1.40526 COC(=O)C(C)OCc1c(noc1C)C 34a_100011215400_100000184612 [0,1,0,0,0,1|2,0,0]=4 181 B15R1.40526 COC(=O)C(C)OCc1c(noc1C)C 34a_100011219351_100000211248 [0,1,0,0,0,1|2,0,0]=4 182 B15R1.40526 COC(=O)C(C)SCc1c(noc1C)C 62a_100000184612_100000211248 [0,1,0,0,0,1|2,0,0]=4 183 B15R1.40526 COC(=O)C(C)SCc1c(noc1C)C 62a_100000211248_100000184612 [0,1,0,0,0,1|2,0,0]=4 184 B15R1.39518 COC(=O)CC(C)Sc1c(noc1C)O 62a_100009817358_100010730664 [0,1,0,0,0,1|2,0,0]=4 185 B15R1.39518 COC(=O)CC(C)Sc1c(noc1C)O 62a_100010730664_100009817358 [0,1,0,0,0,1|2,0,0]=4 186 B15R1.14404 CCC(Sc1c(noc1C)O)C(=O)OC 62a_100000235869_100010730664 [0,2,0,0,0,0|2,0,0]=4 187 B15R1.14404 CCC(Sc1c(noc1C)O)C(=O)OC 62a_100010730664_100000235869 [0,2,0,0,0,0|2,0,0]=4 188 B15R1.14404 COC(=O)C(C=O)Sc1c(noc1C)O 62a_100000046368_100010730664 [0,2,0,0,0,0|2,0,0]=4 189 B15R1.14404 COC(=O)C(C=O)Sc1c(noc1C)O 62a_100010730664_100000046368 [0,2,0,0,0,0|2,0,0]=4 190 B15R1.14404 COC(=O)C(CO)Sc1c(noc1C)O 62a_100010730664_100012276630 [0,2,0,0,0,0|2,0,0]=4 191 B15R1.14404 COC(=O)C(CO)Sc1c(noc1C)O 62a_100012276630_100010730664 [0,2,0,0,0,0|2,0,0]=4 192 B15R1.14404 COC(=O)C(OC)Sc1c(noc1C)O 62a_100000101307_100010730664 [0,2,0,0,0,0|2,0,0]=4 193 B15R1.14404 COC(=O)C(OC)Sc1c(noc1C)O 62a_100010730664_100000101307 [0,2,0,0,0,0|2,0,0]=4 194 B15R1.17764 CCOC(=O)C(C)Sc1c(noc1C)O 62a_100010730664_100011216346 [0,2,0,0,0,0|2,0,0]=4 195 B15R1.17764 CCOC(=O)C(C)Sc1c(noc1C)O 62a_100011216346_100010730664 [0,2,0,0,0,0|2,0,0]=4 196 B15R1.17764 CCOC(=O)C(F)Sc1c(noc1C)O 62a_100000760018_100010730664 [0,2,0,0,0,0|2,0,0]=4 197 B15R1.17764 CCOC(=O)C(F)Sc1c(noc1C)O 62a_100010730664_100000760018 [0,2,0,0,0,0|2,0,0]=4 198 B15R1.74993 COC(=O)C(C)(C)Sc1c(noc1C)O 62a_100000689032_100010730664 [0,2,0,0,0,0|2,0,0]=4 199 B15R1.74993 COC(=O)C(C)(C)Sc1c(noc1C)O 62a_100010730664_100000689032 [0,2,0,0,0,0|2,0,0]=4 200 B15R1.74993 COC(=O)C(C)(F)Sc1c(noc1C)O 62a_100010730664_200009867631 [0,2,0,0,0,0|2,0,0]=4 201 B15R1.74993 COC(=O)C(C)(F)Sc1c(noc1C)O 62a_200009867631_100010730664 [0,2,0,0,0,0|2,0,0]=4 202 B15R1.74993 COC(=O)C(F)(F)Sc1c(noc1C)O 62a_100000211177_100010730664 [0,2,0,0,0,0|2,0,0]=4 203 B15R1.74993 COC(=O)C(F)(F)Sc1c(noc1C)O 62a_100010730664_100000211177 [0,2,0,0,0,0|2,0,0]=4 204 B15R2.6945 Cc1onc(c1SC2COC(=O)O2)O 62a_100010730664_100000032252 [0,0,0,1,0,1|2,0,0]=4 205 B15R2.8486 Cc1onc(c1SC2CCOC2=O)O 62a_100000211211_100010730664 [0,1,0,1,0,0|2,0,0]=4 206 B15R2.8486 Cc1onc(c1SC2CCOC2=O)O 62a_100010730664_100000211211 [0,1,0,1,0,0|2,0,0]=4 207 B13R1.3529 C=C(C)CCSc1c(noc1C)O 62a_100000730704_100010730664 [1,0,0,0,0,1|2,0,0]=4 208 B13R1.3529 C=C(C)CCSc1c(noc1C)O 62a_100010730664_100000730704 [1,0,0,0,0,1|2,0,0]=4 209 B13R1.3529 CC(=O)CCSc1c(noc1C)C 62a_100000053229_100000694658 [1,0,0,0,0,1|2,0,0]=4 210 B13R1.3529 CC(=O)CCSc1c(noc1C)C 62a_100000694658_100000053229 [1,0,0,0,0,1|2,0,0]=4 211 B13R1.3529 CC(=O)CCSc1c(noc1C)N 62a_100000053229_100011216220 [1,0,0,0,0,1|2,0,0]=4 212 B13R1.3529 CC(=O)CCSc1c(noc1C)N 62a_100011216220_100000053229 [1,0,0,0,0,1|2,0,0]=4 213 B13R1.3529 CC(=O)CCSc1c(noc1C)O 62a_100000053229_100010730664 [1,0,0,0,0,1|1,0,0]=3 214 B13R1.3529 CC(=O)CCSc1c(noc1C)O 62a_100010730664_100000053229 [1,0,0,0,0,1|1,0,0]=3 215 B13R1.3529 CC(=O)COCc1c(noc1C)C 34a_100000211253_100000184612 [1,0,0,0,0,1|2,0,0]=4 216 B13R1.3529 CC(=O)CSCc1c(noc1C)C 1458a_200000150216_200000210301 [1,0,0,0,0,1|2,0,0]=4 217 B13R1.3529 CC(=O)NCCc1c(noc1C)C 11a_100000753187_100015343762 [1,0,0,0,0,1|2,0,0]=4 218 B13R1.3529 CC(=O)NCCc1c(noc1C)C 1626a_100000753187_100015343762 [1,0,0,0,0,1|2,0,0]=4 219 B13R1.3529 CC(=O)NCCc1c(noc1C)C 240690a_100000753187_100015343762 [1,0,0,0,0,1|2,0,0]=4 220 B13R1.3529 CC(=O)NCCc1c(noc1C)C 527a_100000753187_100103153847 [1,0,0,0,0,1|2,0,0]=4 221 B13R1.3529 CC(=O)OCSc1c(noc1C)O 62a_100000076356_100010730664 [1,0,0,0,0,1|2,0,0]=4 222 B13R1.3529 CC(=O)OCSc1c(noc1C)O 62a_100010730664_100000076356 [1,0,0,0,0,1|2,0,0]=4 223 B13R1.3529 Cc1noc(c1CNCC(=O)N)C 2230a_100000174930_100000747473 [1,0,0,0,0,1|2,0,0]=4 224 B13R1.3529 Cc1noc(c1CNCC(=O)N)C 2230a_100000711301_100000184612 [1,0,0,0,0,1|2,0,0]=4 225 B13R1.3529 Cc1noc(c1CNCC(=O)N)C 34a_100000174930_100000187820 [1,0,0,0,0,1|2,0,0]=4 226 B13R1.3529 Cc1noc(c1CNCC(=O)O)C 269956a_100016091260_100000184612 [1,0,0,0,0,1|1,0,0]=3 227 B13R1.3529 Cc1noc(c1CNCC(=O)[O-])C 34a_100000174930_100020667443 [1,0,0,0,0,1|1,0,1]=4 228 B13R1.3529 Cc1noc(c1COCC(=O)N)C 34a_100011219351_100000187820 [1,0,0,0,0,1|2,0,0]=4 229 B13R1.3529 Cc1noc(c1COCC(=O)[O-])C 34a_100011219351_100020667443 [1,0,0,0,0,1|1,0,1]=4 230 B13R1.3529 Cc1noc(c1CSCC(=O)N)C 62a_100000184612_100000747473 [1,0,0,0,0,1|2,0,0]=4 231 B13R1.3529 Cc1noc(c1CSCC(=O)N)C 62a_100000747473_100000184612 [1,0,0,0,0,1|2,0,0]=4 232 B13R1.3529 Cc1noc(c1CSCC(=O)[13CH3])C 1458a_200000150216_200025704644 [1,0,0,0,0,1|2,0,0]=4 233 B13R1.3529 Cc1noc(c1CSCC(=O)[O-])C 62a_100000184612_100020667443 [1,0,0,0,0,1|1,0,1]=4 234 B13R1.3529 Cc1noc(c1CSCC(=O)[O-])C 62a_100020667443_100000184612 [1,0,0,0,0,1|1,0,1]=4 235 B13R1.3529 Cc1noc(c1SCCC(=O)N)C 62a_100000694658_100000744528 [1,0,0,0,0,1|2,0,0]=4 236 B13R1.3529 Cc1noc(c1SCCC(=O)N)C 62a_100000744528_100000694658 [1,0,0,0,0,1|2,0,0]=4 237 B13R1.3529 Cc1onc(c1SCCC(=O)N)N 62a_100000744528_100011216220 [1,0,0,0,0,1|2,0,0]=4 238 B13R1.3529 Cc1onc(c1SCCC(=O)N)N 62a_100011216220_100000744528 [1,0,0,0,0,1|2,0,0]=4 239 B13R1.3529 Cc1onc(c1SCCC(=O)N)O 62a_100000744528_100010730664 [1,0,0,0,0,1|1,0,0]=3 240 B13R1.3529 Cc1onc(c1SCCC(=O)N)O 62a_100010730664_100000744528 [1,0,0,0,0,1|1,0,0]=3 241 B13R1.3529 Cc1onc(c1SCCC(C)O)O 62a_100010730664_100012276601 [1,0,0,0,0,1|1,0,1]=4 242 B13R1.3529 Cc1onc(c1SCCC(C)O)O 62a_100012276601_100010730664 [1,0,0,0,0,1|1,0,1]=4 243 B15R1.15113 Cc1noc(c1CNCC(C)C(=O)O)C 269956a_100000749485_100000184612 [0,0,0,0,0,2|2,0,0]=4 244 B15R1.15113 Cc1noc(c1CNCC(F)C(=O)O)C 269956a_100000084737_100000184612 [0,0,0,0,0,2|2,0,0]=4 245 B15R1.15113 Cc1noc(c1COC[C@H](N)C(=O)N)C 34a_100000729942_100000184612 [0,0,0,0,0,2|2,0,0]=4