0 B12R1.104 C=C(C)C(=O)Cc1cn(cn1)C 1458a_100000185857_100000717665 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.104 CC(=O)C(C)Sc1cn(cn1)C 62a_100000040308_100009814033 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.104 CC(=O)C(C)Sc1cn(cn1)C 62a_100009814033_100000040308 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.104 CC(=O)C(C)Sc1cn(nn1)C 62a_100000760339_100009814033 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.104 CC(=O)C(C)Sc1cn(nn1)C 62a_100009814033_100000760339 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.104 CC(=O)C(C)Sc1ncn(n1)C 62a_100009814033_100009819955 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.104 CC(=O)C(C)Sc1ncn(n1)C 62a_100009819955_100009814033 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.104 CC(Sc1cn(cn1)C)C(=O)N 62a_100000040308_100000702099 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.104 CC(Sc1cn(cn1)C)C(=O)N 62a_100000702099_100000040308 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.104 CC(Sc1cn(nn1)C)C(=O)N 62a_100000702099_100000760339 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.104 CC(Sc1cn(nn1)C)C(=O)N 62a_100000760339_100000702099 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.104 CC(Sc1ncn(n1)C)C(=O)N 62a_100000702099_100009819955 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.104 CC(Sc1ncn(n1)C)C(=O)N 62a_100009819955_100000702099 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.104 C[C@@H](O)C(=O)Cc1cn(cn1)C 1458a_100000717761_100000717665 [0,0,0,0,0,0|2,0,2]=4 14 B12R1.104 C[C@H](O)C(=O)Cc1cn(cn1)C 1458a_217856618621_100000717665 [0,0,0,0,0,0|2,0,2]=4 15 B12R1.104 Cn1cc(nn1)SC(F)C(=O)N 62a_100000760339_100009813875 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.104 Cn1cc(nn1)SC(F)C(=O)N 62a_100009813875_100000760339 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.104 Cn1cc(nn1)SC(F)C(=O)[O-] 62a_100000760339_100020610796 [0,0,0,0,0,0|3,0,1]=4 18 B12R1.104 Cn1cc(nn1)SC(F)C(=O)[O-] 62a_100020610796_100000760339 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.104 Cn1cnc(c1)CC(=O)C(O)O 1458a_100000233687_100000717665 [0,0,0,0,0,0|1,0,3]=4 20 B12R1.104 Cn1cnc(c1)SC(F)C(=O)N 62a_100000040308_100009813875 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.104 Cn1cnc(c1)SC(F)C(=O)N 62a_100009813875_100000040308 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.104 Cn1cnc(c1)SC(F)C(=O)[O-] 62a_100000040308_100020610796 [0,0,0,0,0,0|2,0,1]=3 23 B12R1.104 Cn1cnc(c1)SC(F)C(=O)[O-] 62a_100020610796_100000040308 [0,0,0,0,0,0|2,0,1]=3 24 B12R1.104 Cn1cnc(n1)SC(F)C(=O)N 62a_100009813875_100009819955 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.104 Cn1cnc(n1)SC(F)C(=O)N 62a_100009819955_100009813875 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.104 Cn1cnc(n1)SC(F)C(=O)[O-] 62a_100009819955_100020610796 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.104 Cn1cnc(n1)SC(F)C(=O)[O-] 62a_100020610796_100009819955 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.35 CC(=O)C(C)Sc1c[nH]cn1 62a_100000756875_100009814033 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.35 CC(=O)C(C)Sc1c[nH]cn1 62a_100009814033_100000756875 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.35 CC(Sc1c[nH]cn1)C(=O)N 62a_100000702099_100000756875 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.35 CC(Sc1c[nH]cn1)C(=O)N 62a_100000756875_100000702099 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.35 NC(=O)C(F)Sc1c[nH]cn1 62a_100000756875_100009813875 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.35 NC(=O)C(F)Sc1c[nH]cn1 62a_100009813875_100000756875 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.35 O=C([O-])C(F)Sc1c[nH]cn1 62a_100000756875_100020610796 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.35 O=C([O-])C(F)Sc1c[nH]cn1 62a_100020610796_100000756875 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.39 C=CC(=O)Cc1cn(cn1)C 1458a_100000185746_100000717665 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.39 C=CC(C)Sc1cn(cn1)C 62a_100011215867_100000040308 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.39 CC(CO)Sc1cn(cn1)C 62a_100012180447_100000040308 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.39 C[C@H](CO)Sc1cn(cn1)C 62a_100000040308_100016084084 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.39 C[C@H](CO)Sc1cn(cn1)C 62a_100016084084_100000040308 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.39 Cn1cnc(c1)CC(=O)CO 1458a_100000210174_100000717665 [1,0,0,0,0,0|1,0,2]=4 42 B11R1.75 C=C(C)CSc1cn(cn1)C 62a_100000040308_100000211660 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.75 C=C(C)CSc1cn(cn1)C 62a_100000748629_100000040308 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.75 C=C(F)CSc1cn(cn1)C 62a_100000040308_100000042424 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.75 C=C(F)CSc1cn(cn1)C 62a_100000042424_100000040308 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.75 CC(=O)CCc1cnn(c1)C 1458a_100000743273_200000210301 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.75 CC(=O)CCn1cc(cn1)C 1458a_100000743555_200000210301 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.75 CC(=O)NCc1cn(cn1)C 11a_100011834058_100015343762 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.75 CC(=O)NCc1cn(cn1)C 1626a_100011834058_100015343762 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.75 CC(=O)NCc1cn(cn1)C 240690a_100011834058_100015343762 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.75 CC(=O)NCc1cn(cn1)C 527a_100011834058_100103153847 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.75 CC(=O)NCc1cn(nn1)C 274090a_200000210301_100000175883 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.75 CC(=O)NCc1cn(nn1)[13CH3] 274090a_200025704644_100000175883 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.75 CC(=O)NCc1ncn(n1)C 11a_100000695864_100015343762 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.75 CC(=O)NCc1ncn(n1)C 1626a_100000695864_100015343762 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.75 CC(=O)NCc1ncn(n1)C 240690a_100000695864_100015343762 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.75 CC(=O)NCc1ncn(n1)C 527a_100000695864_100103153847 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.75 CC(=O)OCc1cn(nn1)C 274090a_200000210301_100000006626 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.75 CC(=O)OCc1cn(nn1)[13CH3] 274090a_200025704644_100000006626 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.75 CC(=O)SCc1cn(nn1)C 274090a_200000210301_100044875725 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.75 CC(=O)SCc1cn(nn1)[13CH3] 274090a_200025704644_100044875725 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.75 CC(O)CSc1cn(cn1)C 62a_100000040308_100011218427 [1,0,0,0,0,0|2,0,1]=4 63 B11R1.75 CC(O)CSc1cn(cn1)C 62a_100011218427_100000040308 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.75 C[C@@H](O)CSc1cn(cn1)C 62a_100000040308_100009817552 [1,0,0,0,0,0|2,0,1]=4 65 B11R1.75 C[C@@H](O)CSc1cn(cn1)C 62a_100009817552_100000040308 [1,0,0,0,0,0|2,0,1]=4 66 B11R1.75 Cc1cnn(c1)CCC(=O)[13CH3] 1458a_100000743555_200025704644 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.75 Cn1cc(cn1)CCC(=O)[13CH3] 1458a_100000743273_200025704644 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.75 Cn1cc(nn1)CCC(=O)O 274090a_200000210301_100000692101 [1,0,0,0,0,0|1,0,0]=2 69 B11R1.75 Cn1cc(nn1)CNC(=O)N 274090a_200000210301_100000238980 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.75 Cn1cc(nn1)SCC(=O)N 62a_100000747473_100000760339 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.75 Cn1cc(nn1)SCC(=O)N 62a_100000760339_100000747473 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.75 Cn1cc(nn1)SCC(=O)[O-] 62a_100000760339_100020667443 [1,0,0,0,0,0|2,0,1]=4 73 B11R1.75 Cn1cc(nn1)SCC(=O)[O-] 62a_100020667443_100000760339 [1,0,0,0,0,0|2,0,1]=4 74 B11R1.75 Cn1cnc(c1)SCC(=O)N 62a_100000040308_100000747473 [1,0,0,0,0,0|2,0,0]=3 75 B11R1.75 Cn1cnc(c1)SCC(=O)N 62a_100000747473_100000040308 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.75 Cn1cnc(c1)SCC(=O)[O-] 62a_100000040308_100020667443 [1,0,0,0,0,0|1,0,1]=3 77 B11R1.75 Cn1cnc(c1)SCC(=O)[O-] 62a_100020667443_100000040308 [1,0,0,0,0,0|1,0,1]=3 78 B11R1.75 Cn1cnc(c1)SC[N+](=O)[O-] 62a_100000040308_100000761209 [1,0,0,0,0,0|2,0,1]=4 79 B11R1.75 Cn1cnc(n1)SCC(=O)N 62a_100000747473_100009819955 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.75 Cn1cnc(n1)SCC(=O)N 62a_100009819955_100000747473 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.75 Cn1cnc(n1)SCC(=O)[O-] 62a_100009819955_100020667443 [1,0,0,0,0,0|2,0,1]=4 82 B11R1.75 Cn1cnc(n1)SCC(=O)[O-] 62a_100020667443_100009819955 [1,0,0,0,0,0|2,0,1]=4 83 B11R1.75 [13CH3]n1cc(nn1)CCC(=O)O 274090a_200025704644_100000692101 [1,0,0,0,0,0|1,0,0]=2 84 B11R1.75 [13CH3]n1cc(nn1)CNC(=O)N 274090a_200025704644_100000238980 [1,0,0,0,0,0|3,0,0]=4 85 B13R1.59 CCn1cnc(c1)SC(C)C(=O)C 62a_100009814033_100010368372 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.59 CCn1cnc(c1)SC(C)C(=O)C 62a_100010368372_100009814033 [0,1,0,0,0,0|3,0,0]=4 87 B13R1.59 CCn1cnc(c1)SC(C)C(=O)N 62a_100000702099_100010368372 [0,1,0,0,0,0|3,0,0]=4 88 B13R1.59 CCn1cnc(c1)SC(C)C(=O)N 62a_100010368372_100000702099 [0,1,0,0,0,0|3,0,0]=4 89 B13R1.59 CCn1cnc(c1)SC(F)C(=O)N 62a_100009813875_100010368372 [0,1,0,0,0,0|3,0,0]=4 90 B13R1.59 CCn1cnc(c1)SC(F)C(=O)N 62a_100010368372_100009813875 [0,1,0,0,0,0|3,0,0]=4 91 B13R1.59 CCn1cnc(c1)SC(F)C(=O)[O-] 62a_100010368372_100020610796 [0,1,0,0,0,0|2,0,1]=4 92 B13R1.59 CCn1cnc(c1)SC(F)C(=O)[O-] 62a_100020610796_100010368372 [0,1,0,0,0,0|2,0,1]=4 93 B13R1.134 CCC(=O)C(C)Sc1cn(cn1)C 62a_100000040308_100000742827 [0,1,0,0,0,0|3,0,0]=4 94 B13R1.134 CCC(=O)C(C)Sc1cn(cn1)C 62a_100000742827_100000040308 [0,1,0,0,0,0|3,0,0]=4 95 B13R1.134 CNC(=O)C(=O)Cc1cn(cn1)C 1458a_100011218921_100000717665 [0,1,0,0,0,0|2,0,1]=4 96 B13R1.134 CNC(=O)C(C)Sc1cn(cn1)C 62a_100000040308_100000731044 [0,1,0,0,0,0|3,0,0]=4 97 B13R1.134 CNC(=O)C(C)Sc1cn(cn1)C 62a_100000209862_100000040308 [0,1,0,0,0,0|3,0,0]=4 98 B13R1.134 CNC(=O)C(F)Sc1cn(cn1)C 62a_100000040308_100009813575 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.134 CNC(=O)C(F)Sc1cn(cn1)C 62a_100009813575_100000040308 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.134 COC(=O)C(C)Sc1cn(cn1)C 62a_100000040308_100000211248 [0,1,0,0,0,0|2,0,0]=3 101 B13R1.134 COC(=O)C(C)Sc1cn(cn1)C 62a_100000211248_100000040308 [0,1,0,0,0,0|2,0,0]=3 102 B13R1.134 COC(=O)C(C)Sc1cn(nn1)C 62a_100000211248_100000760339 [0,1,0,0,0,0|3,0,0]=4 103 B13R1.134 COC(=O)C(C)Sc1cn(nn1)C 62a_100000760339_100000211248 [0,1,0,0,0,0|3,0,0]=4 104 B13R1.134 COC(=O)C(C)Sc1ncn(n1)C 62a_100000211248_100009819955 [0,1,0,0,0,0|3,0,0]=4 105 B13R1.134 COC(=O)C(C)Sc1ncn(n1)C 62a_100009819955_100000211248 [0,1,0,0,0,0|3,0,0]=4 106 B13R1.410 CCC(Sc1cn(cn1)C)C(=O)N 62a_100000040308_100000750255 [0,1,0,0,0,0|3,0,0]=4 107 B13R1.410 CCC(Sc1cn(cn1)C)C(=O)N 62a_100000750255_100000040308 [0,1,0,0,0,0|3,0,0]=4 108 B13R1.3429 CC(=O)C(C)(C)Sc1cn(cn1)C 62a_100000040308_100000075568 [0,1,0,0,0,0|3,0,0]=4 109 B13R1.3429 CC(=O)C(C)(C)Sc1cn(cn1)C 62a_100000075568_100000040308 [0,1,0,0,0,0|3,0,0]=4 110 B13R1.3429 Cn1cnc(c1)SC(C)(C)C(=O)N 62a_100000040308_100000702505 [0,1,0,0,0,0|3,0,0]=4 111 B13R1.3429 Cn1cnc(c1)SC(C)(C)C(=O)N 62a_100000702505_100000040308 [0,1,0,0,0,0|3,0,0]=4 112 B13R1.3429 Cn1cnc(c1)SC(F)(F)C(=O)N 62a_100000040308_100009811971 [0,1,0,0,0,0|3,0,0]=4 113 B13R1.3429 Cn1cnc(c1)SC(F)(F)C(=O)N 62a_100009811971_100000040308 [0,1,0,0,0,0|3,0,0]=4 114 B13R1.3429 Cn1cnc(c1)SC(F)(F)C(=O)[O-] 62a_100000040308_100000745680 [0,1,0,0,0,0|2,0,1]=4 115 B13R1.3429 Cn1cnc(c1)SC(F)(F)C(=O)[O-] 62a_100000745680_100000040308 [0,1,0,0,0,0|2,0,1]=4 116 B13R1.3449 CC(=O)C(C)Sc1cn(c(n1)C)C 62a_100000684932_100009814033 [0,1,0,0,0,0|3,0,0]=4 117 B13R1.3449 CC(=O)C(C)Sc1cn(c(n1)C)C 62a_100009814033_100000684932 [0,1,0,0,0,0|3,0,0]=4 118 B13R1.3449 CC(=O)C(C)Sc1cn(c(n1)N)C 62a_100009814033_100025756272 [0,1,0,0,0,0|3,0,0]=4 119 B13R1.3449 CC(=O)C(C)Sc1cn(c(n1)N)C 62a_100025756272_100009814033 [0,1,0,0,0,0|3,0,0]=4 120 B13R1.3449 CC(Sc1cn(c(n1)N)C)C(=O)N 62a_100000702099_100025756272 [0,1,0,0,0,0|3,0,0]=4 121 B13R1.3449 CC(Sc1cn(c(n1)N)C)C(=O)N 62a_100025756272_100000702099 [0,1,0,0,0,0|3,0,0]=4 122 B13R1.3449 Cc1nc(cn1C)SC(C)C(=O)N 62a_100000684932_100000702099 [0,1,0,0,0,0|3,0,0]=4 123 B13R1.3449 Cc1nc(cn1C)SC(C)C(=O)N 62a_100000702099_100000684932 [0,1,0,0,0,0|3,0,0]=4 124 B13R1.3449 Cc1nc(cn1C)SC(F)C(=O)N 62a_100000684932_100009813875 [0,1,0,0,0,0|3,0,0]=4 125 B13R1.3449 Cc1nc(cn1C)SC(F)C(=O)N 62a_100009813875_100000684932 [0,1,0,0,0,0|3,0,0]=4 126 B13R1.3449 Cc1nc(cn1C)SC(F)C(=O)[O-] 62a_100000684932_100020610796 [0,1,0,0,0,0|2,0,1]=4 127 B13R1.3449 Cc1nc(cn1C)SC(F)C(=O)[O-] 62a_100020610796_100000684932 [0,1,0,0,0,0|2,0,1]=4 128 B13R1.3449 Cn1cc(nc1N)SC(F)C(=O)N 62a_100009813875_100025756272 [0,1,0,0,0,0|3,0,0]=4 129 B13R1.3449 Cn1cc(nc1N)SC(F)C(=O)N 62a_100025756272_100009813875 [0,1,0,0,0,0|3,0,0]=4 130 B13R1.3449 Cn1cc(nc1N)SC(F)C(=O)[O-] 62a_100020610796_100025756272 [0,1,0,0,0,0|2,0,1]=4 131 B13R1.3449 Cn1cc(nc1N)SC(F)C(=O)[O-] 62a_100025756272_100020610796 [0,1,0,0,0,0|2,0,1]=4 132 B13R2.145 Cn1cnc(c1)SC2CCC2=O 62a_100000040308_100009892977 [0,0,0,1,0,0|3,0,0]=4 133 B13R2.145 Cn1cnc(c1)SC2CCC2=O 62a_100009892977_100000040308 [0,0,0,1,0,0|3,0,0]=4 134 B13R1.3424 CC(=O)OC(C)Sc1cn(cn1)C 62a_100000040308_100009818208 [0,0,0,0,0,1|3,0,0]=4 135 B13R1.3424 CC(=O)OC(C)Sc1cn(cn1)C 62a_100009818208_100000040308 [0,0,0,0,0,1|3,0,0]=4 136 B13R1.3424 CN(CC(=O)N)Cc1cn(cn1)C 2230a_100000739694_100000717665 [0,0,0,0,0,1|3,0,0]=4 137 B13R1.3424 CN(CC(=O)N)Cc1cn(cn1)C 270004a_100000739694_100000684808 [0,0,0,0,0,1|3,0,0]=4 138 B13R1.3424 CN(CC(=O)O)Cc1cn(cn1)C 269956a_100000746989_100000717665 [0,0,0,0,0,1|2,0,0]=3 139 B13R1.3424 CN(CC(=O)O)Cc1ncn(n1)C 269956a_100000746989_100016995526 [0,0,0,0,0,1|3,0,0]=4 140 B13R1.3424 Cn1cnc(c1)CC(=O)CC(=O)N 1458a_100011512828_100000187820 [0,0,0,0,0,1|2,0,1]=4 141 B13R1.3424 Cn1cnc(c1)CC(=O)CC(=O)N 1458a_100134613110_100000717665 [0,0,0,0,0,1|2,0,1]=4 142 B13R1.3424 Cn1cnc(c1)CC(=O)CC(=O)[O-] 1458a_100011512828_100020667443 [0,0,0,0,0,1|1,0,2]=4 143 B13R1.3425 C=C(C)C(C)NCc1cn(cn1)C 269862a_100011834058_100011216138 [0,0,0,0,0,1|3,0,0]=4 144 B13R1.3425 CC(=O)C(=O)CSc1cn(cn1)C 62a_100000040308_100011261029 [0,0,0,0,0,1|2,0,1]=4 145 B13R1.3425 CC(=O)C(=O)CSc1cn(cn1)C 62a_100011261029_100000040308 [0,0,0,0,0,1|2,0,1]=4 146 B13R1.3425 CC(=O)C(C)NCc1ncn(n1)C 2230a_100000695864_100009814033 [0,0,0,0,0,1|3,0,0]=4 147 B13R1.3425 CC(=O)C(C)OCc1cn(cn1)C 34a_100000212229_100000717665 [0,0,0,0,0,1|2,0,0]=3 148 B13R1.3425 CC(=O)C(C)OCc1ncn(n1)C 34a_100000212229_100016995526 [0,0,0,0,0,1|3,0,0]=4 149 B13R1.3425 CC(=O)C(C)SCc1cn(cn1)C 62a_100000717665_100009814033 [0,0,0,0,0,1|2,0,0]=3 150 B13R1.3425 CC(=O)C(C)SCc1cn(cn1)C 62a_100009814033_100000717665 [0,0,0,0,0,1|2,0,0]=3 151 B13R1.3425 CC(=O)C(C)SCc1ncn(n1)C 62a_100009814033_100016995526 [0,0,0,0,0,1|3,0,0]=4 152 B13R1.3425 CC(=O)C(C)SCc1ncn(n1)C 62a_100016995526_100009814033 [0,0,0,0,0,1|3,0,0]=4 153 B13R1.3425 CC(NCc1ncn(n1)C)C(=O)N 2230a_100000695864_100000702099 [0,0,0,0,0,1|3,0,0]=4 154 B13R1.3425 CC(OCc1cn(cn1)C)C(=O)N 34a_100000710007_100000702099 [0,0,0,0,0,1|2,0,0]=3 155 B13R1.3425 CC(SCc1cn(cn1)C)C(=O)N 62a_100000702099_100000717665 [0,0,0,0,0,1|2,0,0]=3 156 B13R1.3425 CC(SCc1cn(cn1)C)C(=O)N 62a_100000717665_100000702099 [0,0,0,0,0,1|2,0,0]=3 157 B13R1.3425 CC(SCc1ncn(n1)C)C(=O)N 62a_100000702099_100016995526 [0,0,0,0,0,1|3,0,0]=4 158 B13R1.3425 CC(SCc1ncn(n1)C)C(=O)N 62a_100016995526_100000702099 [0,0,0,0,0,1|3,0,0]=4 159 B13R1.3425 C[C@@H](NCc1cn(cn1)C)C(=O)N 2230a_100000119354_100000717665 [0,0,0,0,0,1|2,0,0]=3 160 B13R1.3425 C[C@@H](NCc1cn(cn1)C)C(=O)N 270004a_100000119354_100000684808 [0,0,0,0,0,1|2,0,0]=3 161 B13R1.3425 C[C@@H](NCc1cn(cn1)C)C(=O)N 34a_100000119354_100000717665 [0,0,0,0,0,1|2,0,0]=3 162 B13R1.3425 C[C@@H](NCc1cn(nn1)C)C(=O)N 270004a_100000119354_100000749909 [0,0,0,0,0,1|3,0,0]=4 163 B13R1.3425 C[C@@H](NCc1ncn(n1)C)C(=O)N 2230a_100000119354_100016995526 [0,0,0,0,0,1|3,0,0]=4 164 B13R1.3425 C[C@@H](NCc1ncn(n1)C)C(=O)N 270004a_100000119354_100010630104 [0,0,0,0,0,1|3,0,0]=4 165 B13R1.3425 C[C@@H](NCc1ncn(n1)C)C(=O)N 34a_100000119354_100016995526 [0,0,0,0,0,1|3,0,0]=4 166 B13R1.3425 C[C@@H](OCc1cn(cn1)C)C(=O)N 34a_100000731257_100000717665 [0,0,0,0,0,1|2,0,0]=3 167 B13R1.3425 C[C@@H](OCc1cn(cn1)C)C(=O)N 7a_100000731257_100000717665 [0,0,0,0,0,1|2,0,0]=3 168 B13R1.3425 C[C@@H](OCc1ncn(n1)C)C(=O)N 34a_100000731257_100016995526 [0,0,0,0,0,1|3,0,0]=4 169 B13R1.3425 C[C@@H](OCc1ncn(n1)C)C(=O)N 7a_100000731257_100016995526 [0,0,0,0,0,1|3,0,0]=4 170 B13R1.3425 C[C@H](NCc1ccn(n1)C)C(=O)O 269956a_100000743915_100000726502 [0,0,0,0,0,1|3,0,0]=4 171 B13R1.3425 C[C@H](NCc1cn(cn1)C)C(=O)O 269956a_100000743915_100000717665 [0,0,0,0,0,1|1,0,0]=2 172 B13R1.3425 C[C@H](NCc1cnn(c1)C)C(=O)O 269956a_100000743915_100000765209 [0,0,0,0,0,1|3,0,0]=4 173 B13R1.3425 C[C@H](NCc1ncn(n1)C)C(=O)O 269956a_100000743915_100016995526 [0,0,0,0,0,1|2,0,0]=3 174 B13R1.3425 C[C@H](OCc1cn(cn1)C)C(=O)[O-] 7a_217856618621_100000717665 [0,0,0,0,0,1|1,0,1]=3 175 B13R1.3425 C[C@H](OCc1ncn(n1)C)C(=O)[O-] 7a_217856618621_100016995526 [0,0,0,0,0,1|2,0,1]=4 176 B13R1.3425 Cc1cc(no1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000199038 [0,0,0,0,0,1|3,0,0]=4 177 B13R1.3425 Cn1cnc(c1)CNC(=O)C(=O)N 240690a_100011834058_100011215815 [0,0,0,0,0,1|2,0,1]=4 178 B13R1.3425 Cn1cnc(c1)COC(F)C(=O)N 34a_100000710007_100009813875 [0,0,0,0,0,1|2,0,0]=3 179 B13R1.3425 Cn1cnc(c1)COC(F)C(=O)[O-] 34a_100000710007_100020610796 [0,0,0,0,0,1|1,0,1]=3 180 B13R1.3425 Cn1cnc(c1)CSC(F)C(=O)N 62a_100000717665_100009813875 [0,0,0,0,0,1|2,0,0]=3 181 B13R1.3425 Cn1cnc(c1)CSC(F)C(=O)N 62a_100009813875_100000717665 [0,0,0,0,0,1|2,0,0]=3 182 B13R1.3425 Cn1cnc(c1)CSC(F)C(=O)[O-] 62a_100000717665_100020610796 [0,0,0,0,0,1|1,0,1]=3 183 B13R1.3425 Cn1cnc(c1)CSC(F)C(=O)[O-] 62a_100020610796_100000717665 [0,0,0,0,0,1|1,0,1]=3 184 B13R1.3425 Cn1cnc(n1)CNC(F)C(=O)N 2230a_100000695864_100009813875 [0,0,0,0,0,1|3,0,0]=4 185 B13R1.3425 Cn1cnc(n1)CSC(F)C(=O)N 62a_100009813875_100016995526 [0,0,0,0,0,1|3,0,0]=4 186 B13R1.3425 Cn1cnc(n1)CSC(F)C(=O)N 62a_100016995526_100009813875 [0,0,0,0,0,1|3,0,0]=4 187 B13R1.3425 Cn1cnc(n1)CSC(F)C(=O)[O-] 62a_100016995526_100020610796 [0,0,0,0,0,1|2,0,1]=4 188 B13R1.3425 Cn1cnc(n1)CSC(F)C(=O)[O-] 62a_100020610796_100016995526 [0,0,0,0,0,1|2,0,1]=4 189 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [2,0,0,0,0,0|1,0,0]=3 190 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.66 CC(=O)NCc1c[nH]cn1 11a_100000758547_100015343762 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.66 CC(=O)NCc1c[nH]cn1 240690a_100000758547_100015343762 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.66 CC(=O)NCc1c[nH]cn1 527a_100000758547_100103153847 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.66 NC(=O)CSc1c[nH]cn1 62a_100000747473_100000756875 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.66 NC(=O)CSc1c[nH]cn1 62a_100000756875_100000747473 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.66 O=C([O-])CSc1c[nH]cn1 62a_100000756875_100020667443 [2,0,0,0,0,0|1,0,1]=4 197 B10R1.66 O=C([O-])CSc1c[nH]cn1 62a_100020667443_100000756875 [2,0,0,0,0,0|1,0,1]=4 198 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.16 C=CCSc1cn(cn1)C 62a_100000040308_100000210623 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.16 C=CCSc1cn(cn1)C 62a_100000210623_100000040308 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.16 CCCCc1cn(cn1)C 271570a_100020621405_100000040308 [2,0,0,0,0,0|1,0,1]=4 202 B10R1.16 Cn1cc(nn1)CCCO 274090a_200000210301_100000215630 [2,0,0,0,0,0|1,0,1]=4 203 B10R1.16 Cn1cc(nn1)SCC=O 62a_100000760339_200015260668 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.16 Cn1cc(nn1)SCC=O 62a_200015260668_100000760339 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.16 Cn1cnc(c1)SCC=O 62a_100000040308_200015260668 [2,0,0,0,0,0|1,0,0]=3 206 B10R1.16 Cn1cnc(c1)SCC=O 62a_200015260668_100000040308 [2,0,0,0,0,0|1,0,0]=3 207 B10R1.16 Cn1cnc(c1)SCCO 62a_100000040308_100000211926 [2,0,0,0,0,0|1,0,1]=4 208 B10R1.16 Cn1cnc(c1)SCCO 62a_100000211926_100000040308 [2,0,0,0,0,0|1,0,1]=4 209 B10R1.16 Cn1cnc(n1)SCC=O 62a_100009819955_200015260668 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.16 Cn1cnc(n1)SCC=O 62a_200015260668_100009819955 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.16 [13CH3]n1cc(nn1)CCCO 274090a_200025704644_100000215630 [2,0,0,0,0,0|1,0,1]=4 212 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100000070787_100000717665 [2,0,0,0,0,0|1,0,1]=4 213 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100011512828_200000210301 [2,0,0,0,0,0|1,0,1]=4 214 B10R1.54 CC(O)Cc1cn(nn1)C 274090a_200000210301_100000685586 [2,0,0,0,0,0|2,0,0]=4 215 B10R1.54 CC(O)Cc1cn(nn1)[13CH3] 274090a_200025704644_100000685586 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.54 Cn1cnc(c1)CC(=O)[13CH3] 1458a_100011512828_200025704644 [2,0,0,0,0,0|1,0,1]=4 217 B12R1.108 COC(=O)C(C)Sc1c[nH]cn1 62a_100000211248_100000756875 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.108 COC(=O)C(C)Sc1c[nH]cn1 62a_100000756875_100000211248 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.298 CN[C@@H](Cc1c[nH]cn1)C(=O)N 2230a_100020587041_200000210301 [1,1,0,0,0,0|1,0,0]=3 220 B12R1.298 [13CH3]N[C@@H](Cc1c[nH]cn1)C(=O)N 2230a_100020587041_200025704644 [1,1,0,0,0,0|1,0,0]=3 221 B12R1.117 Cn1cnc(c1)SC(C=O)C=O 62a_100000040308_100000736813 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.117 Cn1cnc(c1)SC(C=O)C=O 62a_100000736813_100000040308 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.26 C=CC(=O)NCc1cn(cn1)C 1626a_100011834058_100000185746 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.26 C=CC(=O)NCc1cn(cn1)C 240690a_100011834058_200121576911 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.26 CCC(=O)CSc1cn(cn1)C 62a_100000040308_100000747405 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.26 CCC(=O)CSc1cn(cn1)C 62a_100000747405_100000040308 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.26 CCC(=O)NCc1cn(cn1)C 11a_100011834058_100000210414 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.26 CCC(=O)NCc1cn(cn1)C 1626a_100011834058_100000210414 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.26 CCC(=O)NCc1cn(cn1)C 240690a_100011834058_100000210414 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.26 CCC(=O)NCc1cn(cn1)C 527a_100011834058_100000210414 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.26 CNC(=O)CSc1cn(cn1)C 62a_100000040308_100000183359 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.26 CNC(=O)CSc1cn(cn1)C 62a_100000183359_100000040308 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.26 CNC(=O)NCc1cn(cn1)C 2708a_100011834058_106832991635 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.26 CNC(=O)NCc1cn(cn1)C 2708a_100102657272_100011834058 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.26 CNC(=O)NCc1cn(cn1)C 273464a_100011834058_100102657272 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.26 CNC(=O)NCc1cn(cn1)C 273464a_100102657272_100011834058 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.26 CNC(=O)NCc1cn(cn1)C 512a_100011834058_100102657272 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.26 CNC(=O)NCc1cn(cn1)C 512a_106832991638_100011834058 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.26 COC(=O)CCc1cn(nn1)C 274090a_200000210301_100012180771 [1,1,0,0,0,0|1,0,0]=3 240 B12R1.26 COC(=O)CCc1cn(nn1)[13CH3] 274090a_200025704644_100012180771 [1,1,0,0,0,0|1,0,0]=3 241 B12R1.26 COC(=O)CSc1cn(cn1)C 62a_100000040308_100000747449 [1,1,0,0,0,0|1,0,0]=3 242 B12R1.26 COC(=O)CSc1cn(cn1)C 62a_100000747449_100000040308 [1,1,0,0,0,0|1,0,0]=3 243 B12R1.26 COC(=O)CSc1cn(nn1)C 62a_100000747449_100000760339 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.26 COC(=O)CSc1cn(nn1)C 62a_100000760339_100000747449 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.26 COC(=O)CSc1ncn(n1)C 62a_100000747449_100009819955 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.26 COC(=O)CSc1ncn(n1)C 62a_100009819955_100000747449 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.26 COC(=O)OCc1cn(nn1)C 274090a_200000210301_200010292053 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.26 COC(=O)OCc1cn(nn1)[13CH3] 274090a_200025704644_200010292053 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.26 Cn1cnc(c1)CNC(=O)CO 240690a_100011834058_100000210174 [1,1,0,0,0,0|1,0,0]=3 250 B12R1.26 Cn1cnc(c1)CNC(=O)CO 527a_100011834058_100000210174 [1,1,0,0,0,0|1,0,0]=3 251 B12R1.26 Cn1cnc(n1)CNC(=O)CO 240690a_100000695864_100000210174 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.26 Cn1cnc(n1)CNC(=O)CO 527a_100000695864_100000210174 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.59 CCn1cc(nn1)CCC(=O)O 274090a_100000204670_100000692101 [1,1,0,0,0,0|1,0,0]=3 254 B12R1.59 CCn1cnc(c1)SCC(=O)N 62a_100000747473_100010368372 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.59 CCn1cnc(c1)SCC(=O)N 62a_100010368372_100000747473 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.59 CCn1cnc(c1)SCC(=O)[O-] 62a_100010368372_100020667443 [1,1,0,0,0,0|1,0,1]=4 257 B12R1.59 CCn1cnc(c1)SCC(=O)[O-] 62a_100020667443_100010368372 [1,1,0,0,0,0|1,0,1]=4 258 B12R1.59 O=C(O)CCc1cn(nn1)CF 274090a_100015361967_100000692101 [1,1,0,0,0,0|1,0,0]=3 259 B12R1.110 Cc1nc(cn1C)SCC(=O)N 62a_100000684932_100000747473 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.110 Cc1nc(cn1C)SCC(=O)N 62a_100000747473_100000684932 [1,1,0,0,0,0|2,0,0]=4 261 B12R1.110 Cc1nc(cn1C)SCC(=O)[O-] 62a_100000684932_100020667443 [1,1,0,0,0,0|1,0,1]=4 262 B12R1.110 Cc1nc(cn1C)SCC(=O)[O-] 62a_100020667443_100000684932 [1,1,0,0,0,0|1,0,1]=4 263 B12R1.110 Cn1cc(nc1N)SCC(=O)N 62a_100000747473_100025756272 [1,1,0,0,0,0|2,0,0]=4 264 B12R1.110 Cn1cc(nc1N)SCC(=O)N 62a_100025756272_100000747473 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.110 Cn1cc(nc1N)SCC(=O)[O-] 62a_100020667443_100025756272 [1,1,0,0,0,0|1,0,1]=4 266 B12R1.110 Cn1cc(nc1N)SCC(=O)[O-] 62a_100025756272_100020667443 [1,1,0,0,0,0|1,0,1]=4 267 B12R1.838 CC(C)(C(=O)O)c1cn(nn1)[13CH3] 274090a_200025704644_100000079900 [0,1,0,0,1,0|2,0,0]=4 268 B12R1.838 Cn1cc(nn1)C(C)(C)C(=O)O 274090a_200000210301_100000079900 [0,1,0,0,1,0|2,0,0]=4 269 B14R1.535 CCN(CC(=O)O)Cc1cn(cn1)C 269956a_100000746405_100000717665 [0,1,0,0,0,1|2,0,0]=4 270 B14R1.742 COC(=O)CC(=O)Cc1cn(cn1)C 1458a_100000211351_100000717665 [0,1,0,0,0,1|1,0,1]=4 271 B14R1.742 COC(=O)CC(=O)Cc1cn(cn1)C 1458a_100011512828_100000747449 [0,1,0,0,0,1|1,0,1]=4 272 B14R1.742 COC(=O)CC(C)Sc1cn(cn1)C 62a_100000040308_100009817358 [0,1,0,0,0,1|2,0,0]=4 273 B14R1.742 COC(=O)CC(C)Sc1cn(cn1)C 62a_100009817358_100000040308 [0,1,0,0,0,1|2,0,0]=4 274 B14R1.742 COC(=O)CN(C)Cc1cn(cn1)C 2230a_100000198492_100000717665 [0,1,0,0,0,1|2,0,0]=4 275 B14R1.742 COC(=O)CN(C)Cc1cn(cn1)C 270004a_100000198492_100000684808 [0,1,0,0,0,1|2,0,0]=4 276 B14R1.4259 CC(C(=O)O)N(C)Cc1cn(cn1)C 269956a_100000749554_100000717665 [0,1,0,0,0,1|2,0,0]=4 277 B14R1.755 C=C(CSc1cn(cn1)C)C(=O)OC 62a_100000040308_100009813391 [0,1,0,0,0,1|1,0,1]=4 278 B14R1.755 C=C(CSc1cn(cn1)C)C(=O)OC 62a_100009813391_100000040308 [0,1,0,0,0,1|1,0,1]=4 279 B14R1.755 CC(OCc1cn(cn1)C)C(=O)NN 34a_100000725659_100000717665 [0,1,0,0,0,1|2,0,0]=4 280 B14R1.755 CCC(=O)C(C)SCc1cn(cn1)C 62a_100000717665_100000742827 [0,1,0,0,0,1|2,0,0]=4 281 B14R1.755 CCC(=O)C(C)SCc1cn(cn1)C 62a_100000742827_100000717665 [0,1,0,0,0,1|2,0,0]=4 282 B14R1.755 CNC(=O)C(C)OCc1cn(cn1)C 34a_100000710007_100000731044 [0,1,0,0,0,1|2,0,0]=4 283 B14R1.755 CNC(=O)C(C)SCc1cn(cn1)C 62a_100000209862_100000717665 [0,1,0,0,0,1|2,0,0]=4 284 B14R1.755 CNC(=O)C(C)SCc1cn(cn1)C 62a_100000717665_100000731044 [0,1,0,0,0,1|2,0,0]=4 285 B14R1.755 CNC(=O)C(F)OCc1cn(cn1)C 34a_100000710007_100009813575 [0,1,0,0,0,1|2,0,0]=4 286 B14R1.755 CNC(=O)C(F)SCc1cn(cn1)C 62a_100000717665_100009813575 [0,1,0,0,0,1|2,0,0]=4 287 B14R1.755 CNC(=O)C(F)SCc1cn(cn1)C 62a_100009813575_100000717665 [0,1,0,0,0,1|2,0,0]=4 288 B14R1.755 CNC(=O)[C@@H](C)NCc1cn(cn1)C 2230a_100000684985_100000717665 [0,1,0,0,0,1|2,0,0]=4 289 B14R1.755 CNC(=O)[C@@H](C)NCc1cn(cn1)C 34a_100000684985_100000717665 [0,1,0,0,0,1|2,0,0]=4 290 B14R1.755 COC(=O)C(=O)CSc1cn(cn1)C 62a_100000040308_100011610305 [0,1,0,0,0,1|1,0,1]=4 291 B14R1.755 COC(=O)C(=O)CSc1cn(cn1)C 62a_100011610305_100000040308 [0,1,0,0,0,1|1,0,1]=4 292 B14R1.755 COC(=O)C(=O)NCc1cn(cn1)C 11a_100011834058_100000024059 [0,1,0,0,0,1|1,0,1]=4 293 B14R1.755 COC(=O)C(=O)NCc1cn(cn1)C 1626a_100011834058_100000024059 [0,1,0,0,0,1|1,0,1]=4 294 B14R1.755 COC(=O)C(=O)NCc1cn(cn1)C 240690a_100011834058_100000024059 [0,1,0,0,0,1|1,0,1]=4 295 B14R1.755 COC(=O)C(=O)NCc1cn(cn1)C 527a_100011834058_100000024059 [0,1,0,0,0,1|1,0,1]=4 296 B14R1.755 COC(=O)C(C)CSc1cn(cn1)C 62a_100000040308_100000698445 [0,1,0,0,0,1|1,0,0]=3 297 B14R1.755 COC(=O)C(C)CSc1cn(cn1)C 62a_100000698445_100000040308 [0,1,0,0,0,1|1,0,0]=3 298 B14R1.755 COC(=O)C(C)CSc1cn(nn1)C 62a_100000698445_100000760339 [0,1,0,0,0,1|2,0,0]=4 299 B14R1.755 COC(=O)C(C)CSc1cn(nn1)C 62a_100000760339_100000698445 [0,1,0,0,0,1|2,0,0]=4 300 B14R1.755 COC(=O)C(C)CSc1ncn(n1)C 62a_100000698445_100009819955 [0,1,0,0,0,1|2,0,0]=4 301 B14R1.755 COC(=O)C(C)CSc1ncn(n1)C 62a_100009819955_100000698445 [0,1,0,0,0,1|2,0,0]=4 302 B14R1.755 COC(=O)C(C)NCc1ncn(n1)C 2230a_100000695864_100000211248 [0,1,0,0,0,1|2,0,0]=4 303 B14R1.755 COC(=O)C(C)OCc1cn(cn1)C 34a_100000710007_100000211248 [0,1,0,0,0,1|1,0,0]=3 304 B14R1.755 COC(=O)C(C)OCc1cn(cn1)C 34a_100011215400_100000717665 [0,1,0,0,0,1|1,0,0]=3 305 B14R1.755 COC(=O)C(C)OCc1ncn(n1)C 34a_100011215400_100016995526 [0,1,0,0,0,1|2,0,0]=4 306 B14R1.755 COC(=O)C(C)SCc1cn(cn1)C 62a_100000211248_100000717665 [0,1,0,0,0,1|1,0,0]=3 307 B14R1.755 COC(=O)C(C)SCc1cn(cn1)C 62a_100000717665_100000211248 [0,1,0,0,0,1|1,0,0]=3 308 B14R1.755 COC(=O)C(C)SCc1ncn(n1)C 62a_100000211248_100016995526 [0,1,0,0,0,1|2,0,0]=4 309 B14R1.755 COC(=O)C(C)SCc1ncn(n1)C 62a_100016995526_100000211248 [0,1,0,0,0,1|2,0,0]=4 310 B14R1.3426 CCn1cnc(c1)CN[C@H](C)C(=O)N 270004a_100000119354_100012662273 [0,1,0,0,0,1|2,0,0]=4 311 B14R1.6954 C=C[C@H](NCc1cn(cn1)C)C(=O)O 269956a_100016992060_100000717665 [0,1,0,0,0,1|1,0,0]=3 312 B14R1.6954 C=C[C@H](NCc1ncn(n1)C)C(=O)O 269956a_100016992060_100016995526 [0,1,0,0,0,1|2,0,0]=4 313 B14R1.6954 CCC(NCc1cn(cn1)C)C(=O)N 2230a_100000733705_100000717665 [0,1,0,0,0,1|2,0,0]=4 314 B14R1.6954 CCC(NCc1cn(cn1)C)C(=O)N 34a_100000733705_100000717665 [0,1,0,0,0,1|2,0,0]=4 315 B14R1.6954 CCC(OCc1cn(cn1)C)C(=O)N 34a_100000710007_100000750255 [0,1,0,0,0,1|2,0,0]=4 316 B14R1.6954 CCC(SCc1cn(cn1)C)C(=O)N 62a_100000717665_100000750255 [0,1,0,0,0,1|2,0,0]=4 317 B14R1.6954 CCC(SCc1cn(cn1)C)C(=O)N 62a_100000750255_100000717665 [0,1,0,0,0,1|2,0,0]=4 318 B14R1.6954 CC[C@@H](NCc1cn(cn1)C)C(=O)O 269956a_100000747097_100000717665 [0,1,0,0,0,1|1,0,0]=3 319 B14R1.6954 CC[C@@H](NCc1ncn(n1)C)C(=O)O 269956a_100000747097_100016995526 [0,1,0,0,0,1|2,0,0]=4 320 B14R1.6954 Cn1cnc(c1)CNC(C#N)C(=O)N 2230a_100000039599_100000717665 [0,1,0,0,0,1|1,0,1]=4 321 B14R1.6954 Cn1cnc(c1)CNC(C#N)C(=O)N 270004a_100000039599_100000684808 [0,1,0,0,0,1|1,0,1]=4 322 B14R1.6954 Cn1cnc(c1)CNC(CO)C(=O)O 269956a_100000187304_100000717665 [0,1,0,0,0,1|1,0,0]=3 323 B14R1.6954 Cn1cnc(c1)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000717665 [0,1,0,0,0,1|2,0,0]=4 324 B14R1.6954 Cn1cnc(c1)CN[C@@H](CO)C(=O)N 270004a_100000729942_100000684808 [0,1,0,0,0,1|2,0,0]=4 325 B14R1.6954 Cn1cnc(c1)CN[C@@H](CO)C(=O)N 34a_100000729942_100000717665 [0,1,0,0,0,1|2,0,0]=4 326 B14R1.6954 Cn1cnc(n1)CNC(CO)C(=O)O 269956a_100000187304_100016995526 [0,1,0,0,0,1|2,0,0]=4 327 B14R1.13033 CC(=O)C(C)(C)OCc1cn(cn1)C 34a_100000747739_100000717665 [0,1,0,0,0,1|2,0,0]=4 328 B14R1.13033 CC(=O)C(C)(C)OCc1cn(cn1)C 7a_100000747739_100000717665 [0,1,0,0,0,1|2,0,0]=4 329 B14R1.13033 CC(=O)C(C)(C)SCc1cn(cn1)C 62a_100000075568_100000717665 [0,1,0,0,0,1|2,0,0]=4 330 B14R1.13033 CC(=O)C(C)(C)SCc1cn(cn1)C 62a_100000717665_100000075568 [0,1,0,0,0,1|2,0,0]=4 331 B14R1.13033 Cn1cnc(c1)CNC(C)(C)C(=O)N 2230a_100000743658_100000717665 [0,1,0,0,0,1|2,0,0]=4 332 B14R1.13033 Cn1cnc(c1)CNC(C)(C)C(=O)N 34a_100000743658_100000717665 [0,1,0,0,0,1|2,0,0]=4 333 B14R1.13033 Cn1cnc(c1)COC(C)(C)C(=O)N 34a_100000710007_100000702505 [0,1,0,0,0,1|2,0,0]=4 334 B14R1.13033 Cn1cnc(c1)COC(C)(C)C(=O)N 34a_100011626353_100000717665 [0,1,0,0,0,1|2,0,0]=4 335 B14R1.13033 Cn1cnc(c1)COC(C)(C)C(=O)N 7a_100011626353_100000717665 [0,1,0,0,0,1|2,0,0]=4 336 B14R1.13033 Cn1cnc(c1)COC(F)(F)C(=O)[O-] 34a_100000710007_100020612412 [0,1,0,0,0,1|1,0,1]=4 337 B14R1.13033 Cn1cnc(c1)CSC(C)(C)C(=O)N 62a_100000702505_100000717665 [0,1,0,0,0,1|2,0,0]=4 338 B14R1.13033 Cn1cnc(c1)CSC(C)(C)C(=O)N 62a_100000717665_100000702505 [0,1,0,0,0,1|2,0,0]=4 339 B14R1.13033 Cn1cnc(c1)CSC(F)(F)C(=O)N 62a_100000717665_100009811971 [0,1,0,0,0,1|2,0,0]=4 340 B14R1.13033 Cn1cnc(c1)CSC(F)(F)C(=O)N 62a_100009811971_100000717665 [0,1,0,0,0,1|2,0,0]=4 341 B14R1.13033 Cn1cnc(c1)CSC(F)(F)C(=O)[O-] 62a_100000717665_100000745680 [0,1,0,0,0,1|1,0,1]=4 342 B14R1.13033 Cn1cnc(c1)CSC(F)(F)C(=O)[O-] 62a_100000745680_100000717665 [0,1,0,0,0,1|1,0,1]=4 343 B14R1.13033 Cn1cnc(c1)SCC(C)(C)C(=O)N 62a_100000040308_200009895572 [0,1,0,0,0,1|2,0,0]=4 344 B14R1.13033 Cn1cnc(c1)SCC(C)(C)C(=O)N 62a_200009895572_100000040308 [0,1,0,0,0,1|2,0,0]=4 345 B14R1.52 CCn1cnc(c1)SC(C)C(=O)OC 62a_100000211248_100010368372 [0,2,0,0,0,0|2,0,0]=4 346 B14R1.52 CCn1cnc(c1)SC(C)C(=O)OC 62a_100010368372_100000211248 [0,2,0,0,0,0|2,0,0]=4 347 B14R1.59 CCOC(=O)C(C)Sc1cn(cn1)C 62a_100000040308_100011216346 [0,2,0,0,0,0|2,0,0]=4 348 B14R1.59 CCOC(=O)C(C)Sc1cn(cn1)C 62a_100011216346_100000040308 [0,2,0,0,0,0|2,0,0]=4 349 B14R1.59 CCOC(=O)C(F)Sc1cn(cn1)C 62a_100000040308_100000760018 [0,2,0,0,0,0|2,0,0]=4 350 B14R1.59 CCOC(=O)C(F)Sc1cn(cn1)C 62a_100000760018_100000040308 [0,2,0,0,0,0|2,0,0]=4 351 B14R1.1030 CCC(Sc1cn(cn1)C)C(=O)OC 62a_100000040308_100000235869 [0,2,0,0,0,0|2,0,0]=4 352 B14R1.1030 CCC(Sc1cn(cn1)C)C(=O)OC 62a_100000235869_100000040308 [0,2,0,0,0,0|2,0,0]=4 353 B14R1.1030 COC(=O)C(C=O)Sc1cn(cn1)C 62a_100000040308_100000046368 [0,2,0,0,0,0|2,0,0]=4 354 B14R1.1030 COC(=O)C(C=O)Sc1cn(cn1)C 62a_100000046368_100000040308 [0,2,0,0,0,0|2,0,0]=4 355 B14R1.1030 COC(=O)C(CO)Sc1cn(cn1)C 62a_100000040308_100012276630 [0,2,0,0,0,0|2,0,0]=4 356 B14R1.1030 COC(=O)C(CO)Sc1cn(cn1)C 62a_100012276630_100000040308 [0,2,0,0,0,0|2,0,0]=4 357 B14R1.1030 COC(=O)C(OC)Sc1cn(cn1)C 62a_100000040308_100000101307 [0,2,0,0,0,0|2,0,0]=4 358 B14R1.1030 COC(=O)C(OC)Sc1cn(cn1)C 62a_100000101307_100000040308 [0,2,0,0,0,0|2,0,0]=4 359 B14R1.1106 COC(=O)C(C)(C)Sc1cn(cn1)C 62a_100000040308_100000689032 [0,2,0,0,0,0|2,0,0]=4 360 B14R1.1106 COC(=O)C(C)(C)Sc1cn(cn1)C 62a_100000689032_100000040308 [0,2,0,0,0,0|2,0,0]=4 361 B14R1.1106 COC(=O)C(C)(F)Sc1cn(cn1)C 62a_100000040308_200009867631 [0,2,0,0,0,0|2,0,0]=4 362 B14R1.1106 COC(=O)C(C)(F)Sc1cn(cn1)C 62a_200009867631_100000040308 [0,2,0,0,0,0|2,0,0]=4 363 B14R1.1106 COC(=O)C(F)(F)Sc1cn(cn1)C 62a_100000040308_100000211177 [0,2,0,0,0,0|2,0,0]=4 364 B14R1.1106 COC(=O)C(F)(F)Sc1cn(cn1)C 62a_100000211177_100000040308 [0,2,0,0,0,0|2,0,0]=4 365 B14R1.4283 COC(=O)C(C)Sc1cn(c(n1)C)C 62a_100000211248_100000684932 [0,2,0,0,0,0|2,0,0]=4 366 B14R1.4283 COC(=O)C(C)Sc1cn(c(n1)C)C 62a_100000684932_100000211248 [0,2,0,0,0,0|2,0,0]=4 367 B14R1.4283 COC(=O)C(C)Sc1cn(c(n1)N)C 62a_100000211248_100025756272 [0,2,0,0,0,0|2,0,0]=4 368 B14R1.4283 COC(=O)C(C)Sc1cn(c(n1)N)C 62a_100025756272_100000211248 [0,2,0,0,0,0|2,0,0]=4 369 B14R2.250 Cn1cnc(c1)SC2COC(=O)O2 62a_100000040308_100000032252 [0,0,0,1,0,1|2,0,0]=4 370 B14R2.251 Cn1cnc(c1)COC2CCC2=O 34a_100000710007_100009892977 [0,0,0,1,0,1|2,0,0]=4 371 B14R2.251 Cn1cnc(c1)CSC2CCC2=O 62a_100000717665_100009892977 [0,0,0,1,0,1|2,0,0]=4 372 B14R2.251 Cn1cnc(c1)CSC2CCC2=O 62a_100009892977_100000717665 [0,0,0,1,0,1|2,0,0]=4 373 B14R2.259 Cn1cnc(c1)SC2CCOC2=O 62a_100000040308_100000211211 [0,1,0,1,0,0|2,0,0]=4 374 B14R2.259 Cn1cnc(c1)SC2CCOC2=O 62a_100000211211_100000040308 [0,1,0,1,0,0|2,0,0]=4 375 B12R1.260 CN(CC(=O)O)Cc1c[nH]cn1 269956a_100000746989_100000707719 [1,0,0,0,0,1|2,0,0]=4 376 B12R1.264 CC(=O)C(C)OCc1c[nH]cn1 34a_100000212229_100000707719 [1,0,0,0,0,1|2,0,0]=4 377 B12R1.264 CC(=O)C(C)SCc1c[nH]cn1 62a_100000707719_100009814033 [1,0,0,0,0,1|2,0,0]=4 378 B12R1.264 CC(=O)C(C)SCc1c[nH]cn1 62a_100009814033_100000707719 [1,0,0,0,0,1|2,0,0]=4 379 B12R1.264 CC(SCc1c[nH]cn1)C(=O)N 62a_100000702099_100000707719 [1,0,0,0,0,1|2,0,0]=4 380 B12R1.264 CC(SCc1c[nH]cn1)C(=O)N 62a_100000707719_100000702099 [1,0,0,0,0,1|2,0,0]=4 381 B12R1.264 C[C@@H](NCc1c[nH]cn1)C(=O)N 2230a_100000119354_100000707719 [1,0,0,0,0,1|2,0,0]=4 382 B12R1.264 C[C@@H](NCc1c[nH]cn1)C(=O)N 34a_100000119354_100000707719 [1,0,0,0,0,1|2,0,0]=4 383 B12R1.264 C[C@@H](OCc1c[nH]cn1)C(=O)N 34a_100000731257_100000707719 [1,0,0,0,0,1|2,0,0]=4 384 B12R1.264 C[C@H](NCc1c[nH]cn1)C(=O)O 269956a_100000743915_100000707719 [1,0,0,0,0,1|1,0,0]=3 385 B12R1.264 C[C@H](NCc1cscn1)C(=O)O 269956a_100000743915_100000205941 [1,0,0,0,0,1|2,0,0]=4 386 B12R1.264 NC(=O)C(F)SCc1c[nH]cn1 62a_100000707719_100009813875 [1,0,0,0,0,1|2,0,0]=4 387 B12R1.264 NC(=O)C(F)SCc1c[nH]cn1 62a_100009813875_100000707719 [1,0,0,0,0,1|2,0,0]=4 388 B12R1.264 O=C([O-])C(F)SCc1c[nH]cn1 62a_100000707719_100020610796 [1,0,0,0,0,1|1,0,1]=4 389 B12R1.264 O=C([O-])C(F)SCc1c[nH]cn1 62a_100020610796_100000707719 [1,0,0,0,0,1|1,0,1]=4 390 B12R1.105 C=C(C)CCSc1cn(cn1)C 62a_100000040308_100000730704 [1,0,0,0,0,1|2,0,0]=4 391 B12R1.105 C=C(C)CCSc1cn(cn1)C 62a_100000730704_100000040308 [1,0,0,0,0,1|2,0,0]=4 392 B12R1.105 C=C(C)COCc1cn(cn1)C 34a_100000210245_100000717665 [1,0,0,0,0,1|2,0,0]=4 393 B12R1.105 C=C(C)COCc1cn(cn1)C 34a_100000710007_100000748629 [1,0,0,0,0,1|2,0,0]=4 394 B12R1.105 C=C(C)CSCc1cn(cn1)C 62a_100000717665_100000211660 [1,0,0,0,0,1|2,0,0]=4 395 B12R1.105 C=C(C)CSCc1cn(cn1)C 62a_100000748629_100000717665 [1,0,0,0,0,1|2,0,0]=4 396 B12R1.105 C=C(F)COCc1cn(cn1)C 34a_100000710007_100009893438 [1,0,0,0,0,1|2,0,0]=4 397 B12R1.105 C=C(F)COCc1cn(cn1)C 34a_200010262243_100000717665 [1,0,0,0,0,1|2,0,0]=4 398 B12R1.105 C=C(F)CSCc1cn(cn1)C 62a_100000042424_100000717665 [1,0,0,0,0,1|2,0,0]=4 399 B12R1.105 C=C(F)CSCc1cn(cn1)C 62a_100000717665_100000042424 [1,0,0,0,0,1|2,0,0]=4 400 B12R1.105 CC(=O)CCSc1cn(cn1)C 62a_100000040308_100000053229 [1,0,0,0,0,1|1,0,0]=3 401 B12R1.105 CC(=O)CCSc1cn(cn1)C 62a_100000053229_100000040308 [1,0,0,0,0,1|1,0,0]=3 402 B12R1.105 CC(=O)CCSc1cn(nn1)C 62a_100000053229_100000760339 [1,0,0,0,0,1|2,0,0]=4 403 B12R1.105 CC(=O)CCSc1cn(nn1)C 62a_100000760339_100000053229 [1,0,0,0,0,1|2,0,0]=4 404 B12R1.105 CC(=O)CCSc1ncn(n1)C 62a_100000053229_100009819955 [1,0,0,0,0,1|2,0,0]=4 405 B12R1.105 CC(=O)CCSc1ncn(n1)C 62a_100009819955_100000053229 [1,0,0,0,0,1|2,0,0]=4 406 B12R1.105 CC(=O)COCc1cn(cn1)C 34a_100000211253_100000717665 [1,0,0,0,0,1|1,0,0]=3 407 B12R1.105 CC(=O)COCc1ncn(n1)C 34a_100000211253_100016995526 [1,0,0,0,0,1|2,0,0]=4 408 B12R1.105 CC(=O)NCCc1cn(cn1)C 11a_106430523030_100015343762 [1,0,0,0,0,1|1,0,0]=3 409 B12R1.105 CC(=O)NCCc1cn(cn1)C 1626a_106430523030_100015343762 [1,0,0,0,0,1|1,0,0]=3 410 B12R1.105 CC(=O)NCCc1cn(cn1)C 240690a_106430523030_100015343762 [1,0,0,0,0,1|1,0,0]=3 411 B12R1.105 CC(=O)NCCc1cn(cn1)C 527a_106430523030_100103153847 [1,0,0,0,0,1|1,0,0]=3 412 B12R1.105 CC(=O)NCCc1ncn(n1)C 11a_100103148823_100015343762 [1,0,0,0,0,1|2,0,0]=4 413 B12R1.105 CC(=O)NCCc1ncn(n1)C 240690a_100103148823_100015343762 [1,0,0,0,0,1|2,0,0]=4 414 B12R1.105 CC(=O)NCCc1ncn(n1)C 527a_100103148823_100103153847 [1,0,0,0,0,1|2,0,0]=4 415 B12R1.105 CC(=O)OCSc1cn(cn1)C 62a_100000040308_100000076356 [1,0,0,0,0,1|2,0,0]=4 416 B12R1.105 CC(=O)OCSc1cn(cn1)C 62a_100000076356_100000040308 [1,0,0,0,0,1|2,0,0]=4 417 B12R1.105 CC(O)CCSc1cn(cn1)C 62a_100000040308_100012276601 [1,0,0,0,0,1|1,0,1]=4 418 B12R1.105 CC(O)CCSc1cn(cn1)C 62a_100012276601_100000040308 [1,0,0,0,0,1|1,0,1]=4 419 B12R1.105 CC(O)CNCc1cn(cn1)C 207a_100000210904_100000684808 [1,0,0,0,0,1|1,0,1]=4 420 B12R1.105 CC(O)CNCc1cn(cn1)C 2230a_100000210904_100000717665 [1,0,0,0,0,1|1,0,1]=4 421 B12R1.105 CC(O)CNCc1cn(cn1)C 270004a_100000210904_100000684808 [1,0,0,0,0,1|1,0,1]=4 422 B12R1.105 CC(O)CNCc1cn(cn1)C 34a_100000210904_100000717665 [1,0,0,0,0,1|1,0,1]=4 423 B12R1.105 CC(O)COCc1cn(cn1)C 34a_100000710007_100011218427 [1,0,0,0,0,1|1,0,1]=4 424 B12R1.105 CC(O)CSCc1cn(cn1)C 62a_100000717665_100011218427 [1,0,0,0,0,1|1,0,1]=4 425 B12R1.105 CC(O)CSCc1cn(cn1)C 62a_100011218427_100000717665 [1,0,0,0,0,1|1,0,1]=4 426 B12R1.105 C[C@@H](O)COCc1cn(cn1)C 34a_100000710007_100009817552 [1,0,0,0,0,1|1,0,1]=4 427 B12R1.105 C[C@@H](O)CSCc1cn(cn1)C 62a_100000717665_100009817552 [1,0,0,0,0,1|1,0,1]=4 428 B12R1.105 C[C@@H](O)CSCc1cn(cn1)C 62a_100009817552_100000717665 [1,0,0,0,0,1|1,0,1]=4 429 B12R1.105 Cc1cc(no1)CNCC(=O)O 269956a_100016091260_100000199038 [1,0,0,0,0,1|2,0,0]=4 430 B12R1.105 Cn1cc(cn1)CNCC(=O)O 269956a_100016091260_100000765209 [1,0,0,0,0,1|2,0,0]=4 431 B12R1.105 Cn1cc(nn1)CCCC(=O)O 274090a_200000210301_100000690238 [1,0,0,0,0,1|1,0,0]=3 432 B12R1.105 Cn1cc(nn1)SCCC(=O)N 62a_100000744528_100000760339 [1,0,0,0,0,1|2,0,0]=4 433 B12R1.105 Cn1cc(nn1)SCCC(=O)N 62a_100000760339_100000744528 [1,0,0,0,0,1|2,0,0]=4 434 B12R1.105 Cn1ccc(n1)CNCC(=O)O 269956a_100016091260_100000726502 [1,0,0,0,0,1|2,0,0]=4 435 B12R1.105 Cn1cnc(c1)CNCC(=O)N 2230a_100000711301_100000717665 [1,0,0,0,0,1|1,0,0]=3 436 B12R1.105 Cn1cnc(c1)CNCC(=O)O 269956a_100016091260_100000717665 [1,0,0,0,0,1|0,0,0]=2 437 B12R1.105 Cn1cnc(c1)COCC(=O)N 34a_100000710007_100000187820 [1,0,0,0,0,1|1,0,0]=3 438 B12R1.105 Cn1cnc(c1)COCC(=O)[O-] 34a_100000710007_100020667443 [1,0,0,0,0,1|0,0,1]=3 439 B12R1.105 Cn1cnc(c1)COC[N+](=O)[O-] 34a_100000710007_100000761209 [1,0,0,0,0,1|1,0,1]=4 440 B12R1.105 Cn1cnc(c1)CSCC(=O)N 62a_100000717665_100000747473 [1,0,0,0,0,1|1,0,0]=3 441 B12R1.105 Cn1cnc(c1)CSCC(=O)N 62a_100000747473_100000717665 [1,0,0,0,0,1|1,0,0]=3 442 B12R1.105 Cn1cnc(c1)CSCC(=O)[O-] 62a_100000717665_100020667443 [1,0,0,0,0,1|0,0,1]=3 443 B12R1.105 Cn1cnc(c1)CSCC(=O)[O-] 62a_100020667443_100000717665 [1,0,0,0,0,1|0,0,1]=3 444 B12R1.105 Cn1cnc(c1)CSC[N+](=O)[O-] 62a_100000717665_100000761209 [1,0,0,0,0,1|1,0,1]=4 445 B12R1.105 Cn1cnc(c1)SCCC(=O)N 62a_100000040308_100000744528 [1,0,0,0,0,1|1,0,0]=3 446 B12R1.105 Cn1cnc(c1)SCCC(=O)N 62a_100000744528_100000040308 [1,0,0,0,0,1|1,0,0]=3 447 B12R1.105 Cn1cnc(n1)CNCC(=O)N 2230a_100000695864_100000747473 [1,0,0,0,0,1|2,0,0]=4 448 B12R1.105 Cn1cnc(n1)CNCC(=O)N 2230a_100000711301_100016995526 [1,0,0,0,0,1|2,0,0]=4 449 B12R1.105 Cn1cnc(n1)CNCC(=O)O 269956a_100016091260_100016995526 [1,0,0,0,0,1|1,0,0]=3 450 B12R1.105 Cn1cnc(n1)CSCC(=O)N 62a_100000747473_100016995526 [1,0,0,0,0,1|2,0,0]=4 451 B12R1.105 Cn1cnc(n1)CSCC(=O)N 62a_100016995526_100000747473 [1,0,0,0,0,1|2,0,0]=4 452 B12R1.105 Cn1cnc(n1)CSCC(=O)[O-] 62a_100016995526_100020667443 [1,0,0,0,0,1|1,0,1]=4 453 B12R1.105 Cn1cnc(n1)CSCC(=O)[O-] 62a_100020667443_100016995526 [1,0,0,0,0,1|1,0,1]=4 454 B12R1.105 Cn1cnc(n1)SCCC(=O)N 62a_100000744528_100009819955 [1,0,0,0,0,1|2,0,0]=4 455 B12R1.105 Cn1cnc(n1)SCCC(=O)N 62a_100009819955_100000744528 [1,0,0,0,0,1|2,0,0]=4 456 B12R1.105 [13CH3]n1cc(nn1)CCCC(=O)O 274090a_200025704644_100000690238 [1,0,0,0,0,1|1,0,0]=3 457 B14R1.679 Cc1ccc(nc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000691093 [0,0,0,0,0,2|2,0,0]=4 458 B14R1.679 Cc1cnc(nc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000685645 [0,0,0,0,0,2|2,0,0]=4 459 B14R1.5956 Cc1ccnc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000718516 [0,0,0,0,0,2|2,0,0]=4 460 B14R1.5956 Cc1cncc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100016988603 [0,0,0,0,0,2|2,0,0]=4 461 B14R1.4262 CC(=O)OC(C)SCc1cn(cn1)C 62a_100000717665_100009818208 [0,0,0,0,0,2|2,0,0]=4 462 B14R1.4262 CC(=O)OC(C)SCc1cn(cn1)C 62a_100009818208_100000717665 [0,0,0,0,0,2|2,0,0]=4 463 B14R1.130 CC(=O)C(C)COCc1cn(cn1)C 34a_100000032740_100000717665 [0,0,0,0,0,2|2,0,0]=4 464 B14R1.130 CC(=O)C(C)COCc1cn(cn1)C 7a_100000032740_100000717665 [0,0,0,0,0,2|2,0,0]=4 465 B14R1.130 CC(CNCc1cn(cn1)C)C(=O)O 269956a_100000749485_100000717665 [0,0,0,0,0,2|1,0,0]=3 466 B14R1.130 CC(CNCc1ncn(n1)C)C(=O)O 269956a_100000749485_100016995526 [0,0,0,0,0,2|2,0,0]=4 467 B14R1.130 Cn1cnc(c1)CNCC(F)C(=O)O 269956a_100000084737_100000717665 [0,0,0,0,0,2|1,0,0]=3 468 B14R1.130 Cn1cnc(c1)COC[C@H](N)C(=O)N 34a_100000729942_100000717665 [0,0,0,0,0,2|1,0,0]=3 469 B14R1.130 Cn1cnc(n1)CNCC(F)C(=O)O 269956a_100000084737_100016995526 [0,0,0,0,0,2|2,0,0]=4 470 B14R1.130 Cn1cnc(n1)COC[C@H](N)C(=O)N 34a_100000729942_100016995526 [0,0,0,0,0,2|2,0,0]=4