0 B12R1.252 BrC(=C)COCc1ccccc1 1P008MC1 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.252 CC(=C)CNCc1ccccc1 1P00DBDE [0,0,0,0,0,0|3,0,0]=3 2 B12R1.252 CC(=C)CNCc1ccccc1 1P00J4BM [0,0,0,0,0,0|3,0,0]=3 3 B12R1.252 CC(=C)COCc1ccccc1 1P01BA3U [0,0,0,0,0,0|3,0,0]=3 4 B12R1.252 CC(=O)C=CSc1ccccc1 1P006LAB [0,0,0,0,0,0|2,0,1]=3 5 B12R1.252 CC(=O)CCCc1ccccc1 1P00BKCG [0,0,0,0,0,0|1,0,0]=1 6 B12R1.252 CC(=O)CCCc1cccnc1 1P01C247 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.252 CC(=O)CNCc1ccccc1 1P028IS2 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.252 CC(=O)COCc1ccccc1 1P003OLS [0,0,0,0,0,0|2,0,0]=2 9 B12R1.252 CC(=O)NCCc1ccccc1 1P003SVL [0,0,0,0,0,0|1,0,0]=1 10 B12R1.252 CC(=O)NCCc1ccncc1 1P0063BR [0,0,0,0,0,0|2,0,0]=2 11 B12R1.252 CC(=O)OCCc1ccccc1 1P003U4N [0,0,0,0,0,0|0,0,0]=0 12 B12R1.252 CC(CCCc1cccnc1)N 1P01C2VH [0,0,0,0,0,0|3,0,1]=4 13 B12R1.252 CC(CCCc1cccnc1)O 1P00993S [0,0,0,0,0,0|2,0,2]=4 14 B12R1.252 CC(CCCc1ccncc1)C 1P006ZMZ [0,0,0,0,0,0|3,0,1]=4 15 B12R1.252 CC(CCCc1ccncc1)O 1P01FFWJ [0,0,0,0,0,0|2,0,2]=4 16 B12R1.252 CC(CCOc1ccccc1)Br 1P028JQH [0,0,0,0,0,0|3,0,1]=4 17 B12R1.252 CC(CCOc1ccccc1)C 1P019PLP [0,0,0,0,0,0|3,0,1]=4 18 B12R1.252 CC(CCOc1ccccc1)N 1P0293LA [0,0,0,0,0,0|3,0,1]=4 19 B12R1.252 CC(CCSc1ccccc1)Br 1P019TVW [0,0,0,0,0,0|3,0,1]=4 20 B12R1.252 CC(CNCc1ccccc1)C 1P00C68I [0,0,0,0,0,0|3,0,1]=4 21 B12R1.252 CC(CNCc1ccccc1)C 1P00J1WC [0,0,0,0,0,0|3,0,1]=4 22 B12R1.252 CC(CNCc1ccccc1)O 1P003DIQ [0,0,0,0,0,0|2,0,2]=4 23 B12R1.252 CC(COCc1ccccc1)Br 1P0281VF [0,0,0,0,0,0|3,0,1]=4 24 B12R1.252 CC(COCc1ccccc1)N 1P00HDBY [0,0,0,0,0,0|3,0,1]=4 25 B12R1.252 CC(COCc1ccccc1)O 1P0018ES [0,0,0,0,0,0|2,0,2]=4 26 B12R1.252 CC(CSCc1ccccc1)N 1P01EIPM [0,0,0,0,0,0|3,0,1]=4 27 B12R1.252 CC(NCCc1ccccc1)C 1P00CKHN [0,0,0,0,0,0|2,0,1]=3 28 B12R1.252 CC(NCCc1ccccc1)C 1P00DBBY [0,0,0,0,0,0|2,0,1]=3 29 B12R1.252 CC(OCCc1ccccn1)C 1P005H4T [0,0,0,0,0,0|2,0,1]=3 30 B12R1.252 CN(CCCc1ccccc1)C 1P007R8A [0,0,0,0,0,0|3,0,0]=3 31 B12R1.252 CN(CCNc1ccccc1)C 1P00FVF1 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.252 CN(CCOc1ccccc1)C 1P0080C8 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.252 C[C@@H](CCOc1ccccc1)N 1P0293Q3 [0,0,0,0,0,0|3,0,1]=4 34 B12R1.252 C[C@@H](COCc1ccccc1)N 1P01AFQZ [0,0,0,0,0,0|3,0,1]=4 35 B12R1.252 C[C@@H](COCc1ccccc1)O 1P003CWE [0,0,0,0,0,0|2,0,2]=4 36 B12R1.252 C[C@H](CCOc1ccccc1)N 1P027TZ6 [0,0,0,0,0,0|3,0,1]=4 37 B12R1.252 C[C@H](COCc1ccccc1)N 1P01DTD3 [0,0,0,0,0,0|3,0,1]=4 38 B12R1.252 C[C@H](COCc1ccccc1)O 1P003CIY [0,0,0,0,0,0|2,0,2]=4 39 B12R1.252 ClC(=O)CCCc1ccccc1 1P003MG0 [0,0,0,0,0,0|2,0,0]=2 40 B12R1.252 ClC(=O)CCOc1ccccc1 1P00CF5O [0,0,0,0,0,0|3,0,0]=3 41 B12R1.252 ClC(=O)COCc1ccccc1 1P002BQR [0,0,0,0,0,0|3,0,0]=3 42 B12R1.252 ClC(=O)OCCc1ccccc1 1P01ALYN [0,0,0,0,0,0|1,0,0]=1 43 B12R1.252 Cl[SiH](CCCc1ccccc1)Cl 1P008NVF [0,0,0,0,0,0|3,1,0]=4 44 B12R1.252 FC(=COCc1ccccc1)F 1P028VSQ [0,0,0,0,0,0|4,0,0]=4 45 B12R1.252 NC(=N)CCCc1ccccc1 1P01OUQG [0,0,0,0,0,0|3,0,0]=3 46 B12R1.252 NC(=N)COCc1ccccc1 1P00BMIX [0,0,0,0,0,0|4,0,0]=4 47 B12R1.252 NC(=N)CSCc1ccccc1 1P01B1SE [0,0,0,0,0,0|4,0,0]=4 48 B12R1.252 NC(=N)NCCc1cccnc1 1P01EI94 [0,0,0,0,0,0|4,0,0]=4 49 B12R1.252 NC(=O)CCNc1ccccc1 1P002L3F [0,0,0,0,0,0|3,0,0]=3 50 B12R1.252 NC(=O)CNCc1ccccc1 1P00C7ZJ [0,0,0,0,0,0|3,0,0]=3 51 B12R1.252 NC(=O)CNCc1cccnc1 1P019VMJ [0,0,0,0,0,0|4,0,0]=4 52 B12R1.252 NC(=O)COCc1ccccc1 1P00IAQR [0,0,0,0,0,0|3,0,0]=3 53 B12R1.252 NC(=O)NCCc1ccccc1 1P00BVLQ [0,0,0,0,0,0|2,0,0]=2 54 B12R1.252 NC(=O)NCCc1ccccn1 1P01A9JG [0,0,0,0,0,0|3,0,0]=3 55 B12R1.252 NC(=O)NCCc1cccnc1 1P01AHPB [0,0,0,0,0,0|3,0,0]=3 56 B12R1.252 NC(=O)NOCc1ccccc1 1P002A6F [0,0,0,0,0,0|3,0,0]=3 57 B12R1.252 NC(=S)CCCc1ccccc1 1P0025WL [0,0,0,0,0,0|2,1,0]=3 58 B12R1.252 NC(=S)COCc1ccccc1 1P01AHUB [0,0,0,0,0,0|3,1,0]=4 59 B12R1.252 NC(=S)NCCc1ccccc1 1P003SQO [0,0,0,0,0,0|2,1,0]=3 60 B12R1.252 NC(=S)NCCc1ccccn1 1P0022GD [0,0,0,0,0,0|3,1,0]=4 61 B12R1.252 OC(=O)C=CSc1ccccc1 1P005I79 [0,0,0,0,0,0|3,0,1]=4 62 B12R1.252 OC(=O)CC#Cc1ccccc1 1P01A0H8 [0,0,0,0,0,0|2,0,2]=4 63 B12R1.252 OC(=O)CC=Cc1ccccc1 1P00389C [0,0,0,0,0,0|2,0,2]=4 64 B12R1.252 OC(=O)CCCc1ccccc1 1P0023U1 [0,0,0,0,0,0|2,0,0]=2 65 B12R1.252 OC(=O)CCCc1ccccn1 1P0034AM [0,0,0,0,0,0|3,0,0]=3 66 B12R1.252 OC(=O)CCCc1ccccn1 1P01ABGB [0,0,0,0,0,0|3,0,0]=3 67 B12R1.252 OC(=O)CCCc1cccnc1 1P01BF81 [0,0,0,0,0,0|3,0,0]=3 68 B12R1.252 OC(=O)CCCc1cccnc1 1P01BFAM [0,0,0,0,0,0|3,0,0]=3 69 B12R1.252 OC(=O)CCCc1ccncc1 1P005FSI [0,0,0,0,0,0|3,0,0]=3 70 B12R1.252 OC(=O)CCCc1ccncc1 1P008SS0 [0,0,0,0,0,0|3,0,0]=3 71 B12R1.252 OC(=O)CCCc1cnccn1 1P0288XZ [0,0,0,0,0,0|4,0,0]=4 72 B12R1.252 OC(=O)CCNc1ccccc1 1P003427 [0,0,0,0,0,0|3,0,0]=3 73 B12R1.252 OC(=O)CCNc1ccccn1 1P008UIH [0,0,0,0,0,0|4,0,0]=4 74 B12R1.252 OC(=O)CCNc1ccccn1 1P019VN6 [0,0,0,0,0,0|4,0,0]=4 75 B12R1.252 OC(=O)CCNc1ccncc1 1P01FIW6 [0,0,0,0,0,0|4,0,0]=4 76 B12R1.252 OC(=O)CCOc1ccccc1 1P003KBS [0,0,0,0,0,0|3,0,0]=3 77 B12R1.252 OC(=O)CCOc1cccnc1 1P01A94G [0,0,0,0,0,0|4,0,0]=4 78 B12R1.252 OC(=O)CCSc1ccccc1 1P00D9EP [0,0,0,0,0,0|3,0,0]=3 79 B12R1.252 OC(=O)CCSc1ccccn1 1P00D0ZH [0,0,0,0,0,0|4,0,0]=4 80 B12R1.252 OC(=O)CNCc1ccccc1 1P003T8F [0,0,0,0,0,0|3,0,0]=3 81 B12R1.252 OC(=O)CNCc1ccccc1 1P003T8G [0,0,0,0,0,0|3,0,0]=3 82 B12R1.252 OC(=O)CNCc1ccccn1 1P01A8ES [0,0,0,0,0,0|4,0,0]=4 83 B12R1.252 OC(=O)CNCc1cccnc1 1P019N25 [0,0,0,0,0,0|4,0,0]=4 84 B12R1.252 OC(=O)CNCc1ccncc1 1P01BDO4 [0,0,0,0,0,0|4,0,0]=4 85 B12R1.252 OC(=O)COCc1ccccc1 1P0030DV [0,0,0,0,0,0|3,0,0]=3 86 B12R1.252 OC(=O)COCc1ccccn1 1P01BBSG [0,0,0,0,0,0|4,0,0]=4 87 B12R1.252 OC(=O)COCc1cccnc1 1P01BBMF [0,0,0,0,0,0|4,0,0]=4 88 B12R1.252 OC(=O)COCc1ccncc1 1P000DSM [0,0,0,0,0,0|4,0,0]=4 89 B12R1.252 OC(=O)CSCc1ccccc1 1P003CG9 [0,0,0,0,0,0|3,0,0]=3 90 B12R1.252 OC(=O)CSCc1ccccn1 1P00BFT6 [0,0,0,0,0,0|4,0,0]=4 91 B12R1.252 OC(=O)CSCc1cccnc1 1P00GUVU [0,0,0,0,0,0|4,0,0]=4 92 B12R1.252 OC(=O)CSCc1ccncc1 1P00DBSP [0,0,0,0,0,0|4,0,0]=4 93 B12R1.252 OC(=O)C\C=C\c1ccccc1 1P002FOF [0,0,0,0,0,0|2,0,2]=4 94 B12R1.252 [O-]C(=O)CCCc1ccccc1 1P00AP0B [0,0,0,0,0,0|2,0,0]=2 95 B11R1.28 BrCCCCc1ccccc1 1P001243 [1,0,0,0,0,0|2,0,1]=4 96 B11R1.28 C=CCNCc1ccccc1 1P002O21 [1,0,0,0,0,0|2,0,1]=4 97 B11R1.28 C=CCNCc1ccccc1 1P003T6B [1,0,0,0,0,0|2,0,1]=4 98 B11R1.28 C=CCOCc1ccccc1 1P001DZF [1,0,0,0,0,0|2,0,1]=4 99 B11R1.28 CC#CCOc1ccccc1 1P0071UP [1,0,0,0,0,0|2,0,1]=4 100 B11R1.28 CC=CCOc1cccnc1 1P01BVZC [1,0,0,0,0,0|3,0,0]=4 101 B11R1.28 CCCCCc1ccccc1 1P003F3E [1,0,0,0,0,0|1,0,1]=3 102 B11R1.28 CCCCCc1ccccn1 1P002M24 [1,0,0,0,0,0|2,0,1]=4 103 B11R1.28 CCCCCc1cccnc1 1P00228X [1,0,0,0,0,0|2,0,1]=4 104 B11R1.28 CCCCCc1ccncc1 1P002ZCV [1,0,0,0,0,0|2,0,1]=4 105 B11R1.28 CCCCNc1ccccc1 1P0035TY [1,0,0,0,0,0|2,0,1]=4 106 B11R1.28 CCCCOc1ccccc1 1P003P21 [1,0,0,0,0,0|2,0,1]=4 107 B11R1.28 CCCCSc1ccccc1 1P0079TG [1,0,0,0,0,0|2,0,1]=4 108 B11R1.28 CCCNCc1ccccc1 1P00296T [1,0,0,0,0,0|2,0,1]=4 109 B11R1.28 CCNCCc1ccccc1 1P00ELT2 [1,0,0,0,0,0|1,0,1]=3 110 B11R1.28 CCNCCc1ccccc1 1P019M64 [1,0,0,0,0,0|1,0,1]=3 111 B11R1.28 CCNCCc1ccccn1 1P003THI [1,0,0,0,0,0|2,0,1]=4 112 B11R1.28 CCNOCc1ccccc1 1P002G3E [1,0,0,0,0,0|2,0,1]=4 113 B11R1.28 CCOCCc1ccccc1 1P00AP6J [1,0,0,0,0,0|0,0,1]=2 114 B11R1.28 CCOCCc1ccccn1 1P002WIS [1,0,0,0,0,0|1,0,1]=3 115 B11R1.28 CCONCc1ccccc1 1P01C29H [1,0,0,0,0,0|1,0,1]=3 116 B11R1.28 CCO\C=N\c1ccccc1 1P003QWU [1,0,0,0,0,0|1,0,2]=4 117 B11R1.28 CNCCCc1ccccc1 1P002O7F [1,0,0,0,0,0|2,0,0]=3 118 B11R1.28 CNCCCc1ccccn1 1P001OQK [1,0,0,0,0,0|3,0,0]=4 119 B11R1.28 CNCCOc1ccccc1 1P003TN4 [1,0,0,0,0,0|3,0,0]=4 120 B11R1.28 COCCNc1ccccc1 1P01C1WU [1,0,0,0,0,0|3,0,0]=4 121 B11R1.28 COCCOc1ccccc1 1P00D7EK [1,0,0,0,0,0|3,0,0]=4 122 B11R1.28 COCCSc1ccccc1 1P003I0V [1,0,0,0,0,0|3,0,0]=4 123 B11R1.28 ClCCCCc1ccccc1 1P003EOX [1,0,0,0,0,0|2,0,1]=4 124 B11R1.28 ICCCCc1ccccc1 1P01J3BS [1,0,0,0,0,0|2,0,1]=4 125 B11R1.28 N#CCCCc1ccccc1 1P002A2B [1,0,0,0,0,0|2,0,1]=4 126 B11R1.28 NCCCCc1ccccc1 1P0010R7 [1,0,0,0,0,0|2,0,1]=4 127 B11R1.28 NCCCCc1ccccc1 1P00C3J1 [1,0,0,0,0,0|2,0,1]=4 128 B11R1.28 NNCCCc1ccccc1 1P01ABBG [1,0,0,0,0,0|3,0,0]=4 129 B11R1.28 O=C=NCCc1ccccc1 1P003C49 [1,0,0,0,0,0|1,0,1]=3 130 B11R1.28 O=C=NCOc1ccccc1 1P01A1XZ [1,0,0,0,0,0|2,0,1]=4 131 B11R1.28 O=C=NCSc1ccccc1 1P0285G3 [1,0,0,0,0,0|2,0,1]=4 132 B11R1.28 O=CCCCc1ccccc1 1P0027XM [1,0,0,0,0,0|1,0,0]=2 133 B11R1.28 O=CCCCc1cccnc1 1P001DYB [1,0,0,0,0,0|2,0,0]=3 134 B11R1.28 O=CCCOc1ccccc1 1P01FTPQ [1,0,0,0,0,0|2,0,0]=3 135 B11R1.28 O=CCOCc1ccccc1 1P0036FA [1,0,0,0,0,0|2,0,0]=3 136 B11R1.28 O=CCSCc1ccccc1 1P005AIQ [1,0,0,0,0,0|2,0,0]=3 137 B11R1.28 O=CNCCc1ccccc1 1P002ML7 [1,0,0,0,0,0|1,0,0]=2 138 B11R1.28 O=COCCc1ccccc1 1P003U4Q [1,0,0,0,0,0|0,0,0]=1 139 B11R1.28 OCCCCc1ccccc1 1P0034LL [1,0,0,0,0,0|1,0,2]=4 140 B11R1.28 S=C=NCCc1ccccc1 1P003IC3 [1,0,0,0,0,0|1,1,1]=4 141 B11R1.28 SCCCCc1ccccc1 1P01ADO5 [1,0,0,0,0,0|1,1,1]=4 142 B11R1.28 [N-]=[N+]=NCCc1ccccc1 1P005SFL [1,0,0,0,0,0|3,0,0]=4 143 B13R1.45 CC(=CCC(c1cccnc1)O)C 1P01B73I [0,1,0,0,0,0|3,0,0]=4 144 B13R1.45 CC(=O)OCC(=O)c1ccccn1 1P01WK93 [0,1,0,0,0,0|1,0,1]=3 145 B13R1.45 CC(c1ccccc1)CCC(=O)O 1P01A0ZE [0,1,0,0,0,0|2,0,0]=3 146 B13R1.45 CN(c1ccccc1)CCC(=O)O 1P00CZWC [0,1,0,0,0,0|3,0,0]=4 147 B13R1.45 CN(c1ccccc1)CCC(=O)O 1P01AGZW [0,1,0,0,0,0|3,0,0]=4 148 B13R1.45 C[C@@H](c1ccccc1)NCC(=O)O 1P003CZ3 [0,1,0,0,0,0|3,0,0]=4 149 B13R1.45 C[C@@H](c1ccccc1)OCC(=O)O 1P01WZUR [0,1,0,0,0,0|3,0,0]=4 150 B13R1.45 C[C@H](c1ccccc1)NCC(=O)N 1P01A02F [0,1,0,0,0,0|3,0,0]=4 151 B13R1.45 C[C@H](c1ccccc1)NCC(=O)O 1P003CNB [0,1,0,0,0,0|3,0,0]=4 152 B13R1.45 ClC(c1ccccc1)CCN(C)C 1P000488 [0,1,0,0,0,0|3,0,0]=4 153 B13R1.45 NC(c1ccccc1)CCC(=O)O 1P000487 [0,1,0,0,0,0|2,0,0]=3 154 B13R1.45 NC(c1ccccc1)CCC(=O)O 1P0017ZI [0,1,0,0,0,0|2,0,0]=3 155 B13R1.45 NC(c1ccccc1)CCN(C)C 1P00J1V9 [0,1,0,0,0,0|3,0,0]=4 156 B13R1.45 N[C@@H](c1ccccc1)CCC(=O)O 1P0003ZN [0,1,0,0,0,0|2,0,0]=3 157 B13R1.45 N[C@H](c1ccccc1)CCC(=O)O 1P00EKFM [0,1,0,0,0,0|2,0,0]=3 158 B13R1.45 O=C(c1ccccc1)CCC(=O)O 1P002ABE [0,1,0,0,0,0|2,0,1]=4 159 B13R1.45 O=C(c1ccccc1)COC(=O)C 1P003U4G [0,1,0,0,0,0|0,0,1]=2 160 B13R1.45 O=C(c1ccccc1)NNC(=O)C 1P009IT5 [0,1,0,0,0,0|2,0,1]=4 161 B13R1.45 O=C(c1ccccc1)OCC(=O)C 1P00FHDE [0,1,0,0,0,0|2,0,1]=4 162 B13R1.45 OC(c1ccccc1)CCN(C)C 1P00DK8V [0,1,0,0,0,0|3,0,0]=4 163 B13R1.45 OC(c1ccccc1)CCN(C)C 1P028LNP [0,1,0,0,0,0|3,0,0]=4 164 B13R1.45 OC(c1ccccc1)CNC(=O)C 1P019UKA [0,1,0,0,0,0|1,0,0]=2 165 B13R1.45 OC(c1ccccc1)CNC(=O)N 1P002QNS [0,1,0,0,0,0|2,0,0]=3 166 B13R1.45 OC(c1ccccc1)CNC(C)C 1P003F2J [0,1,0,0,0,0|2,0,1]=4 167 B13R1.45 OC(c1ccccc1)COC(=O)N 1P0039JG [0,1,0,0,0,0|1,0,0]=2 168 B13R1.149 CC(=O)OCCc1cccc(c1)N 1P01A5OZ [0,1,0,0,0,0|0,0,0]=1 169 B13R1.149 NC(=O)CCNc1cccc(c1)C 1P01A8PS [0,1,0,0,0,0|3,0,0]=4 170 B13R1.149 NC(=O)CCOc1cccc(c1)F 1P01AARI [0,1,0,0,0,0|3,0,0]=4 171 B13R1.149 NC(=O)CCOc1cccc(c1)N 1P019X0Q [0,1,0,0,0,0|3,0,0]=4 172 B13R1.149 NC(=O)NCCc1cccc(c1)O 1P01DJK1 [0,1,0,0,0,0|2,0,0]=3 173 B13R1.149 Nc1cccc(n1)CCCC(=O)O 1P027UYQ [0,1,0,0,0,0|3,0,0]=4 174 B13R1.149 O=C(O)CCNC1=CC=CC(Br)=C1 1P01KG9R [0,1,0,0,0,0|3,0,0]=4 175 B13R1.149 OC(=O)CCCc1cccc(c1)Br 1P00GV6H [0,1,0,0,0,0|2,0,0]=3 176 B13R1.149 OC(=O)CCCc1cccc(c1)C 1P00BJO2 [0,1,0,0,0,0|2,0,0]=3 177 B13R1.149 OC(=O)CCCc1cccc(c1)Cl 1P002M9U [0,1,0,0,0,0|2,0,0]=3 178 B13R1.149 OC(=O)CCCc1cccc(c1)F 1P00FHXW [0,1,0,0,0,0|2,0,0]=3 179 B13R1.149 OC(=O)CCCc1cccc(c1)N 1P00GYF5 [0,1,0,0,0,0|2,0,0]=3 180 B13R1.149 OC(=O)CCCc1cccc(c1)O 1P008YFH [0,1,0,0,0,0|2,0,0]=3 181 B13R1.149 OC(=O)CCCc1cccc(n1)Cl 1P028T1A [0,1,0,0,0,0|3,0,0]=4 182 B13R1.149 OC(=O)CCNc1cccc(c1)F 1P003J81 [0,1,0,0,0,0|3,0,0]=4 183 B13R1.149 OC(=O)CCOc1cccc(c1)Br 1P007T6N [0,1,0,0,0,0|3,0,0]=4 184 B13R1.149 OC(=O)CCOc1cccc(c1)C 1P002R7I [0,1,0,0,0,0|3,0,0]=4 185 B13R1.149 OC(=O)CCOc1cccc(c1)Cl 1P005G86 [0,1,0,0,0,0|3,0,0]=4 186 B13R1.149 OC(=O)CCOc1cccc(c1)F 1P0014OW [0,1,0,0,0,0|3,0,0]=4 187 B13R1.149 OC(=O)CCOc1cccc(c1)I 1P01BG25 [0,1,0,0,0,0|3,0,0]=4 188 B13R1.149 OC(=O)CCSc1cccc(c1)Cl 1P0082KL [0,1,0,0,0,0|3,0,0]=4 189 B13R1.149 OC(=O)CNCc1cccc(c1)Br 1P00I9FD [0,1,0,0,0,0|3,0,0]=4 190 B13R1.149 OC(=O)CNCc1cccc(c1)C 1P01AH8B [0,1,0,0,0,0|3,0,0]=4 191 B13R1.149 OC(=O)CNCc1cccc(c1)Cl 1P01DU3W [0,1,0,0,0,0|3,0,0]=4 192 B13R1.149 OC(=O)CNCc1cccc(c1)F 1P019X44 [0,1,0,0,0,0|3,0,0]=4 193 B13R1.149 OC(=O)COCc1cccc(c1)C 1P01BV3U [0,1,0,0,0,0|3,0,0]=4 194 B13R1.149 OC(=O)COCc1cccc(c1)Cl 1P01AG2N [0,1,0,0,0,0|3,0,0]=4 195 B13R1.149 OC(=O)CSCc1cccc(c1)Br 1P005VWA [0,1,0,0,0,0|3,0,0]=4 196 B13R1.149 OC(=O)CSCc1cccc(c1)C 1P00D2CX [0,1,0,0,0,0|3,0,0]=4 197 B13R1.149 OC(=O)CSCc1cccc(c1)Cl 1P00C93O [0,1,0,0,0,0|3,0,0]=4 198 B13R1.158 CC(=C)CNCc1ccccc1O 1P01EMYM [0,1,0,0,0,0|3,0,0]=4 199 B13R1.158 CC(=O)NCCc1ccccc1Br 1P01DV0T [0,1,0,0,0,0|1,0,0]=2 200 B13R1.158 C\C(C)=C\COC1=CC=CC=C1C 1P01JWC0 [0,1,0,0,0,0|3,0,0]=4 201 B13R1.158 NC(=N)NCCc1ccccc1F 1P01EKKH [0,1,0,0,0,0|3,0,0]=4 202 B13R1.158 NC(=O)CCNc1ccccc1Cl 1P019PWS [0,1,0,0,0,0|3,0,0]=4 203 B13R1.158 NC(=O)CCNc1ccccc1N 1P01AAVB [0,1,0,0,0,0|3,0,0]=4 204 B13R1.158 NC(=O)CCOc1ccccc1F 1P01AARJ [0,1,0,0,0,0|3,0,0]=4 205 B13R1.158 NC(=O)CCOc1ccccc1N 1P019VKG [0,1,0,0,0,0|3,0,0]=4 206 B13R1.158 NC(=O)CCSc1ccccc1F 1P01AATQ [0,1,0,0,0,0|3,0,0]=4 207 B13R1.158 NC(=O)CCSc1ccccc1N 1P01AAY0 [0,1,0,0,0,0|3,0,0]=4 208 B13R1.158 OC(=O)CCCc1ccccc1Br 1P006HPT [0,1,0,0,0,0|2,0,0]=3 209 B13R1.158 OC(=O)CCCc1ccccc1C 1P005MK2 [0,1,0,0,0,0|2,0,0]=3 210 B13R1.158 OC(=O)CCCc1ccccc1Cl 1P00FHXU [0,1,0,0,0,0|2,0,0]=3 211 B13R1.158 OC(=O)CCCc1ccccc1F 1P00ASJL [0,1,0,0,0,0|2,0,0]=3 212 B13R1.158 OC(=O)CCCc1ccccc1O 1P00CJC8 [0,1,0,0,0,0|2,0,0]=3 213 B13R1.158 OC(=O)CCCn1ccccc1=O 1P018SQ8 [0,1,0,0,0,0|3,0,0]=4 214 B13R1.158 OC(=O)CCNc1ccccc1C 1P006Y7W [0,1,0,0,0,0|3,0,0]=4 215 B13R1.158 OC(=O)CCOc1ccccc1Br 1P001WNG [0,1,0,0,0,0|3,0,0]=4 216 B13R1.158 OC(=O)CCOc1ccccc1C 1P002R7J [0,1,0,0,0,0|3,0,0]=4 217 B13R1.158 OC(=O)CCOc1ccccc1Cl 1P0063X8 [0,1,0,0,0,0|3,0,0]=4 218 B13R1.158 OC(=O)CCOc1ccccc1F 1P002ZI9 [0,1,0,0,0,0|3,0,0]=4 219 B13R1.158 OC(=O)CCOc1ccccc1I 1P01BFZO [0,1,0,0,0,0|3,0,0]=4 220 B13R1.158 OC(=O)CCOc1ccccc1O 1P02857H [0,1,0,0,0,0|3,0,0]=4 221 B13R1.158 OC(=O)CCSc1ccccc1Br 1P019USM [0,1,0,0,0,0|3,0,0]=4 222 B13R1.158 OC(=O)CCSc1ccccc1Cl 1P0065DB [0,1,0,0,0,0|3,0,0]=4 223 B13R1.158 OC(=O)CNCc1ccccc1Br 1P019L25 [0,1,0,0,0,0|3,0,0]=4 224 B13R1.158 OC(=O)CNCc1ccccc1C 1P005HGB [0,1,0,0,0,0|3,0,0]=4 225 B13R1.158 OC(=O)COCc1ccccc1C 1P01BV65 [0,1,0,0,0,0|3,0,0]=4 226 B13R1.158 OC(=O)COCc1ccccc1Cl 1P019VPR [0,1,0,0,0,0|3,0,0]=4 227 B13R1.158 OC(=O)COCc1ccccc1F 1P01BX30 [0,1,0,0,0,0|3,0,0]=4 228 B13R1.158 OC(=O)CSCc1ccccc1C 1P00ABQQ [0,1,0,0,0,0|3,0,0]=4 229 B13R1.158 OC(=O)CSCc1ccccc1Cl 1P00FDKO [0,1,0,0,0,0|3,0,0]=4 230 B13R1.158 OC(=O)CSCc1ccccc1F 1P01KB75 [0,1,0,0,0,0|3,0,0]=4 231 B13R1.158 [O-]C(=O)CCSc1ccccc1F 1P006YJJ [0,1,0,0,0,0|3,0,0]=4 232 B13R1.348 CC(Cc1ccccc1)NC(=O)C 1P001IX1 [0,1,0,0,0,0|1,0,0]=2 233 B13R1.348 CC(Cc1ccccc1)OC(=O)C 1P002LSM [0,1,0,0,0,0|0,0,0]=1 234 B13R1.348 CC(OC(=O)Cc1ccccc1)C 1P003RLT [0,1,0,0,0,0|1,0,2]=4 235 B13R1.348 CC(Oc1ccccc1)CC(=O)O 1P00F7G9 [0,1,0,0,0,0|3,0,0]=4 236 B13R1.348 CN(Cc1ccccc1)CC(=O)O 1P00C8YQ [0,1,0,0,0,0|3,0,0]=4 237 B13R1.348 CN(Cc1ccccc1)CC(=O)O 1P019Y5V [0,1,0,0,0,0|3,0,0]=4 238 B13R1.348 NC(Cc1ccccc1)CC(=C)C 1P0288EN [0,1,0,0,0,0|2,0,0]=3 239 B13R1.348 NC(Cc1ccccc1)CC(=O)N 1P028C6W [0,1,0,0,0,0|2,0,0]=3 240 B13R1.348 NC(Cc1ccccc1)CC(=O)O 1P001NG1 [0,1,0,0,0,0|2,0,0]=3 241 B13R1.348 NC(Cc1ccccc1)CC(=O)O 1P019TO9 [0,1,0,0,0,0|2,0,0]=3 242 B13R1.348 NC(Cc1ccccc1)CC(C)C 1P028JFU [0,1,0,0,0,0|2,0,1]=4 243 B13R1.348 NC(Cc1ccccc1)CN(C)C 1P00CFS2 [0,1,0,0,0,0|3,0,0]=4 244 B13R1.348 N[C@@H](Cc1ccccc1)CC(=O)O 1P0018JV [0,1,0,0,0,0|2,0,0]=3 245 B13R1.348 N[C@@H](Cc1ccccc1)CC(=O)O 1P002SXI [0,1,0,0,0,0|2,0,0]=3 246 B13R1.348 N[C@@H](Cc1ccccc1)CN(C)C 1P00BHRI [0,1,0,0,0,0|3,0,0]=4 247 B13R1.348 N[C@H](Cc1ccccc1)CC(=O)O 1P000WB7 [0,1,0,0,0,0|2,0,0]=3 248 B13R1.348 N[C@H](Cc1ccccc1)CC(=O)O 1P0038R1 [0,1,0,0,0,0|2,0,0]=3 249 B13R1.348 N[C@H](Cc1ccncc1)CC(=O)O 1P00BDLJ [0,1,0,0,0,0|3,0,0]=4 250 B13R1.348 O=C(Cc1ccccc1)CC(=O)C 1P00CASX [0,1,0,0,0,0|1,0,1]=3 251 B13R1.348 O=C(Nc1ccccc1)CC(=O)C 1P0006P0 [0,1,0,0,0,0|2,0,1]=4 252 B13R1.348 OC(Cc1ccccc1)CC(=O)O 1P01BCNN [0,1,0,0,0,0|2,0,0]=3 253 B13R1.348 OC(Cc1ccccc1)CC(C)C 1P003M6G [0,1,0,0,0,0|2,0,1]=4 254 B13R1.348 O[C@H](Cc1ccccc1)CN(C)C 1P027Y8E [0,1,0,0,0,0|3,0,0]=4 255 B13R1.348 S=C(Nc1ccccc1)CC(=O)C 1P017IH5 [0,1,0,0,0,0|2,0,1]=4 256 B13R1.351 BrC(C(=O)O)CCc1ccccc1 1P001VOP [0,1,0,0,0,0|2,0,0]=3 257 B13R1.351 C=C(C(=O)O)COc1ccccc1 1P0283AZ [0,1,0,0,0,0|3,0,0]=4 258 B13R1.351 CC(C(=O)C)OCc1ccccc1 1P00HCXZ [0,1,0,0,0,0|2,0,0]=3 259 B13R1.351 CC(C(=O)CCc1ccccc1)C 1P00CAS3 [0,1,0,0,0,0|2,0,1]=4 260 B13R1.351 CC(C(=O)CCc1ccccc1)Cl 1P01DVCQ [0,1,0,0,0,0|2,0,1]=4 261 B13R1.351 CC(C(=O)N)OCc1ccccc1 1P006Q2E [0,1,0,0,0,0|3,0,0]=4 262 B13R1.351 CC(C(=O)O)CCc1ccccc1 1P00AMJK [0,1,0,0,0,0|2,0,0]=3 263 B13R1.351 CC(C(=O)O)COc1ccccc1 1P007YAE [0,1,0,0,0,0|3,0,0]=4 264 B13R1.351 CC(C(=O)O)CSc1ccccc1 1P01AHRV [0,1,0,0,0,0|3,0,0]=4 265 B13R1.351 CC(C(=O)O)NCc1ccccc1 1P00J4AP [0,1,0,0,0,0|3,0,0]=4 266 B13R1.351 CC(C(=O)O)OCc1ccccc1 1P00FCF1 [0,1,0,0,0,0|3,0,0]=4 267 B13R1.351 CN(C(=O)Cl)CCc1ccccc1 1P01EN4G [0,1,0,0,0,0|2,0,0]=3 268 B13R1.351 C[C@@H](C(=O)O)NCc1ccccc1 1P005IJS [0,1,0,0,0,0|3,0,0]=4 269 B13R1.351 C[C@@H](C(=O)O)OCc1ccccc1 1P00C6Y4 [0,1,0,0,0,0|3,0,0]=4 270 B13R1.351 C[C@H](C(=O)O)NCc1ccccc1 1P00ED5E [0,1,0,0,0,0|3,0,0]=4 271 B13R1.351 C[C@H](C(=O)O)OCc1ccccc1 1P0003FL [0,1,0,0,0,0|3,0,0]=4 272 B13R1.351 NC(C(=O)O)CCc1ccccc1 1P0004EN [0,1,0,0,0,0|2,0,0]=3 273 B13R1.351 NC(C(=O)O)CCc1ccccc1 1P003RQU [0,1,0,0,0,0|2,0,0]=3 274 B13R1.351 NC(C(=O)O)CCc1ccncc1 1P01DXBR [0,1,0,0,0,0|3,0,0]=4 275 B13R1.351 N[C@@H](C(=O)O)CCc1ccccc1 1P0032RC [0,1,0,0,0,0|2,0,0]=3 276 B13R1.351 N[C@H](C(=O)O)CCc1ccccc1 1P0032XJ [0,1,0,0,0,0|2,0,0]=3 277 B13R1.351 N[C@H](C(=O)O)CCc1ccccc1 1P007X3W [0,1,0,0,0,0|2,0,0]=3 278 B13R1.351 N[C@H](C(=O)O)CNc1ccccc1 1P0285OT [0,1,0,0,0,0|3,0,0]=4 279 B13R1.351 N[C@H](C(=O)O)COc1ccccc1 1P002PZM [0,1,0,0,0,0|3,0,0]=4 280 B13R1.351 N[C@H](C(=O)O)CSc1ccccc1 1P00362T [0,1,0,0,0,0|3,0,0]=4 281 B13R1.351 N[C@H](C(=O)O)C[Se]c1ccccc1 1P00FG5E [0,1,0,0,0,0|3,0,0]=4 282 B13R1.351 O=C(C(=C)C)OCc1ccccc1 1P002QEV [0,1,0,0,0,0|3,0,0]=4 283 B13R1.351 O=C(C(=O)C)OCc1ccccc1 1P003AK9 [0,1,0,0,0,0|2,0,0]=3 284 B13R1.351 O=C(C(=O)O)CCc1ccccc1 1P00ICL3 [0,1,0,0,0,0|2,0,0]=3 285 B13R1.351 OC(=O)C(CCc1ccccn1)N 1P01EM2F [0,1,0,0,0,0|3,0,0]=4 286 B13R1.351 OC(C(=O)O)CCc1ccccc1 1P00728Y [0,1,0,0,0,0|2,0,0]=3 287 B13R1.351 OC(C(C)C)CCc1ccccc1 1P006KB8 [0,1,0,0,0,0|2,0,1]=4 288 B13R1.351 O[C@@H](C(=O)O)CCc1ccccc1 1P002ZJO [0,1,0,0,0,0|2,0,0]=3 289 B13R1.351 O[C@H](C(=O)O)CCc1ccccc1 1P000G3X [0,1,0,0,0,0|2,0,0]=3 290 B13R1.513 CC(=CCOc1ccc(cc1)Br)C 1P0029ZR [0,1,0,0,0,0|3,0,0]=4 291 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1P01C0IH [0,1,0,0,0,0|1,0,0]=2 292 B13R1.513 CC(=O)CCSc1ccc(cc1)F 1P001I2G [0,1,0,0,0,0|2,0,0]=3 293 B13R1.513 CC(=O)NCCc1ccc(cc1)O 1P0077AS [0,1,0,0,0,0|1,0,0]=2 294 B13R1.513 CC(NCCc1ccc(cc1)F)C 1P019MAE [0,1,0,0,0,0|2,0,1]=4 295 B13R1.513 CC(NCCc1ccc(cc1)F)C 1P0286IO [0,1,0,0,0,0|2,0,1]=4 296 B13R1.513 CN(CCCc1ccc(cc1)N)C 1P00C8ZG [0,1,0,0,0,0|3,0,0]=4 297 B13R1.513 NC(=N)SCCc1ccc(cc1)Cl 1P01C26L [0,1,0,0,0,0|2,1,0]=4 298 B13R1.513 NC(=O)CCNc1ccc(cc1)F 1P019PXK [0,1,0,0,0,0|3,0,0]=4 299 B13R1.513 NC(=O)CCNc1ccc(cc1)N 1P01AB40 [0,1,0,0,0,0|3,0,0]=4 300 B13R1.513 NC(=O)CCOc1ccc(cc1)N 1P019UPQ [0,1,0,0,0,0|3,0,0]=4 301 B13R1.513 NC(=O)CCSc1ccc(cc1)F 1P01AATP [0,1,0,0,0,0|3,0,0]=4 302 B13R1.513 OC(=O)CCCc1ccc(cc1)Br 1P003KJC [0,1,0,0,0,0|2,0,0]=3 303 B13R1.513 OC(=O)CCCc1ccc(cc1)C 1P0034AL [0,1,0,0,0,0|2,0,0]=3 304 B13R1.513 OC(=O)CCCc1ccc(cc1)Cl 1P00DC4R [0,1,0,0,0,0|2,0,0]=3 305 B13R1.513 OC(=O)CCCc1ccc(cc1)F 1P003KKH [0,1,0,0,0,0|2,0,0]=3 306 B13R1.513 OC(=O)CCCc1ccc(cc1)I 1P003KQQ [0,1,0,0,0,0|2,0,0]=3 307 B13R1.513 OC(=O)CCCc1ccc(cc1)N 1P001NM6 [0,1,0,0,0,0|2,0,0]=3 308 B13R1.513 OC(=O)CCCc1ccc(cc1)O 1P00ICHP [0,1,0,0,0,0|2,0,0]=3 309 B13R1.513 OC(=O)CCNc1ccc(cc1)Br 1P00IGNW [0,1,0,0,0,0|3,0,0]=4 310 B13R1.513 OC(=O)CCNc1ccc(cc1)C 1P00CER4 [0,1,0,0,0,0|3,0,0]=4 311 B13R1.513 OC(=O)CCNc1ccc(cc1)Cl 1P00BOA7 [0,1,0,0,0,0|3,0,0]=4 312 B13R1.513 OC(=O)CCOc1ccc(cc1)Br 1P00H0NW [0,1,0,0,0,0|3,0,0]=4 313 B13R1.513 OC(=O)CCOc1ccc(cc1)C 1P002R7H [0,1,0,0,0,0|3,0,0]=4 314 B13R1.513 OC(=O)CCOc1ccc(cc1)Cl 1P003IKL [0,1,0,0,0,0|3,0,0]=4 315 B13R1.513 OC(=O)CCOc1ccc(cc1)F 1P001QA8 [0,1,0,0,0,0|3,0,0]=4 316 B13R1.513 OC(=O)CCOc1ccc(cc1)N 1P00CKM3 [0,1,0,0,0,0|3,0,0]=4 317 B13R1.513 OC(=O)CCOc1ccc(cc1)N 1P01AI5O [0,1,0,0,0,0|3,0,0]=4 318 B13R1.513 OC(=O)CCSc1ccc(cc1)Br 1P009J1U [0,1,0,0,0,0|3,0,0]=4 319 B13R1.513 OC(=O)CCSc1ccc(cc1)C 1P0013P0 [0,1,0,0,0,0|3,0,0]=4 320 B13R1.513 OC(=O)CCSc1ccc(cc1)Cl 1P00EJBL [0,1,0,0,0,0|3,0,0]=4 321 B13R1.513 OC(=O)CCSc1ccc(cc1)F 1P00AQ9O [0,1,0,0,0,0|3,0,0]=4 322 B13R1.513 OC(=O)CNCc1ccc(cc1)Br 1P027UIE [0,1,0,0,0,0|3,0,0]=4 323 B13R1.513 OC(=O)CNCc1ccc(cc1)C 1P009UZS [0,1,0,0,0,0|3,0,0]=4 324 B13R1.513 OC(=O)CNCc1ccc(cc1)Cl 1P01AJ2N [0,1,0,0,0,0|3,0,0]=4 325 B13R1.513 OC(=O)CNCc1ccc(cc1)F 1P019V4N [0,1,0,0,0,0|3,0,0]=4 326 B13R1.513 OC(=O)CNCc1ccc(cc1)F 1P019XM0 [0,1,0,0,0,0|3,0,0]=4 327 B13R1.513 OC(=O)CNCc1ccc(cc1)O 1P01JNBS [0,1,0,0,0,0|3,0,0]=4 328 B13R1.513 OC(=O)COCc1ccc(cc1)C 1P01B7WB [0,1,0,0,0,0|3,0,0]=4 329 B13R1.513 OC(=O)COCc1ccc(cc1)Cl 1P01AG2M [0,1,0,0,0,0|3,0,0]=4 330 B13R1.513 OC(=O)CSCc1ccc(cc1)Br 1P019PCL [0,1,0,0,0,0|3,0,0]=4 331 B13R1.513 OC(=O)CSCc1ccc(cc1)C 1P00F291 [0,1,0,0,0,0|3,0,0]=4 332 B13R1.513 OC(=O)CSCc1ccc(cc1)Cl 1P00IGPJ [0,1,0,0,0,0|3,0,0]=4 333 B13R1.513 OC(=O)CSCc1ccc(cc1)F 1P00EWDH [0,1,0,0,0,0|3,0,0]=4 334 B13R1.513 [O-]C(=O)CCNc1ccc(cc1)C 1P019PL6 [0,1,0,0,0,0|3,0,0]=4 335 B13R1.718 BrCC(=O)NCCc1ccccc1 1P00EBP1 [0,1,0,0,0,0|1,0,0]=2 336 B13R1.718 C=CC(=O)NCCc1ccccn1 1P01AMEK [0,1,0,0,0,0|2,0,1]=4 337 B13R1.718 CCC(=O)COCc1ccccc1 1P01EV3V [0,1,0,0,0,0|2,0,0]=3 338 B13R1.718 CCC(=O)OCCc1ccccc1 1P00170R [0,1,0,0,0,0|0,0,0]=1 339 B13R1.718 CNC(=O)CCCc1ccccc1 1P01BI8C [0,1,0,0,0,0|1,0,0]=2 340 B13R1.718 CNC(=O)CNCc1ccccc1 1P01BTWH [0,1,0,0,0,0|2,0,0]=3 341 B13R1.718 CNC(=O)CNCc1ccccc1 1P01BTYI [0,1,0,0,0,0|2,0,0]=3 342 B13R1.718 COC(=O)CCCc1ccccc1 1P002A2C [0,1,0,0,0,0|1,0,0]=2 343 B13R1.718 COC(=O)CCNc1ccccc1 1P00BDPH [0,1,0,0,0,0|2,0,0]=3 344 B13R1.718 COC(=O)CCNc1ccccn1 1P00DAAK [0,1,0,0,0,0|3,0,0]=4 345 B13R1.718 COC(=O)CNCc1ccccc1 1P007UNZ [0,1,0,0,0,0|2,0,0]=3 346 B13R1.718 COC(=O)CNCc1ccccc1 1P00DGI1 [0,1,0,0,0,0|2,0,0]=3 347 B13R1.718 COC(=O)COCc1ccccc1 1P003RZE [0,1,0,0,0,0|2,0,0]=3 348 B13R1.718 COC(=O)C\N=C\c1ccccc1 1P00FCM7 [0,1,0,0,0,0|2,0,1]=4 349 B13R1.718 COC(=O)NOCc1ccccc1 1P019F5F [0,1,0,0,0,0|2,0,0]=3 350 B13R1.718 COC(=O)\C=C\Cc1ccccc1 1P01DJAM [0,1,0,0,0,0|1,0,1]=3 351 B13R1.718 ClCC(=O)CCCc1ccccc1 1P01CAQE [0,1,0,0,0,0|1,0,0]=2 352 B13R1.718 ClCC(=O)NCCc1ccccc1 1P000ZW1 [0,1,0,0,0,0|1,0,0]=2 353 B13R1.718 ClCC(=O)NOCc1ccccc1 1P005F3H [0,1,0,0,0,0|2,0,0]=3 354 B13R1.718 ClCC(=O)OCCc1ccccc1 1P005U5R [0,1,0,0,0,0|0,0,0]=1 355 B13R1.718 NCC(=C)COCc1ccccc1 1P028BV1 [0,1,0,0,0,0|3,0,0]=4 356 B13R1.718 NCC(=O)NCCc1ccccc1 1P01A8BG [0,1,0,0,0,0|1,0,0]=2 357 B13R1.718 NCC(CCCc1ccccc1)O 1P01B2ZS [0,1,0,0,0,0|1,0,2]=4 358 B13R1.718 NNC(=O)CCCc1ccccc1 1P00D4H5 [0,1,0,0,0,0|2,0,0]=3 359 B13R1.718 NNC(=O)CCNc1ccccc1 1P00DBCG [0,1,0,0,0,0|3,0,0]=4 360 B13R1.718 NNC(=O)CCOc1ccccc1 1P01A8FR [0,1,0,0,0,0|3,0,0]=4 361 B13R1.718 NNC(=O)CNCc1ccccc1 1P027U5E [0,1,0,0,0,0|3,0,0]=4 362 B13R1.718 NNC(=O)COCc1ccccc1 1P00C9L1 [0,1,0,0,0,0|3,0,0]=4 363 B13R1.718 NNC(=O)NCCc1ccccn1 1P019YAL [0,1,0,0,0,0|3,0,0]=4 364 B13R1.718 NNC(=S)NCCc1ccccc1 1P00C1OF [0,1,0,0,0,0|2,1,0]=4 365 B13R1.718 OCC(OCCc1ccccc1)C 1P01AUZG [0,1,0,0,0,0|0,0,2]=3 366 B13R1.718 ON=C(CCCc1ccccc1)N 1P01A8EY [0,1,0,0,0,0|2,0,1]=4 367 B13R1.718 ONC(=O)CCCc1ccccc1 1P007HTK [0,1,0,0,0,0|2,0,0]=3 368 B13R1.718 ONC(=O)CCOc1ccccc1 1P019XAU [0,1,0,0,0,0|3,0,0]=4 369 B13R1.3523 CS(=O)(=O)NCCc1ccccc1 1P00D21R [0,1,0,0,0,0|2,0,0]=3 370 B13R1.3523 CS(=O)(=O)OCCc1ccccc1 1P002D2G [0,1,0,0,0,0|1,0,0]=2 371 B13R1.3523 CS(=O)(=O)OCCc1ccccn1 1P0019M3 [0,1,0,0,0,0|2,0,0]=3 372 B13R1.3523 ClS(=O)(=O)CCCc1ccccc1 1P00EDDK [0,1,0,0,0,0|3,0,0]=4 373 B13R1.3523 ClS(=O)(=O)NCCc1ccccc1 1P007P62 [0,1,0,0,0,0|3,0,0]=4 374 B13R1.3523 NS(=O)(=O)CCCc1ccccc1 1P00H4ZV [0,1,0,0,0,0|3,0,0]=4 375 B13R2.10 BrC1=NOC(C1)c2ccccc2 1P004SIO [0,0,0,1,0,0|3,0,0]=4 376 B13R2.10 CC1NCC(C1)c2ccccc2 1P005YSV [0,0,0,1,0,0|2,0,1]=4 377 B13R2.10 C[C@H]1CCC(N1)c2ccccc2 1P00IL8R [0,0,0,1,0,0|2,0,1]=4 378 B13R2.10 Cc1onc(c1)c2ccccc2 1P009RAC [0,0,0,1,0,0|2,0,1]=4 379 B13R2.10 Cc1onc(n1)c2ccccc2 1P000Q56 [0,0,0,1,0,0|2,0,1]=4 380 B13R2.10 N[C@@H]1CC[C@@H](C1)c2ccccc2 1P01C2M4 [0,0,0,1,0,0|2,0,1]=4 381 B13R2.10 O=C1CCC(=C1)c2ccccc2 1P00CLF2 [0,0,0,1,0,0|1,0,2]=4 382 B13R2.10 O=C1CCC(C1)c2ccccc2 1P003A7Y [0,0,0,1,0,0|1,0,0]=2 383 B13R2.10 O=C1CCC(N1)c2ccccc2 1P00BGKA [0,0,0,1,0,0|2,0,0]=3 384 B13R2.10 O=C1CCC(O1)c2ccccc2 1P003R7A [0,0,0,1,0,0|2,0,0]=3 385 B13R2.10 O=C1CCN(C1)c2ccccc2 1P000Y9H [0,0,0,1,0,0|2,0,0]=3 386 B13R2.10 O=C1CCN(N1)c2ccccc2 1P00IHFX [0,0,0,1,0,0|3,0,0]=4 387 B13R2.10 O=C1CC[C@@H](N1)c2ccccc2 1P0202GN [0,0,0,1,0,0|2,0,0]=3 388 B13R2.10 O=C1CC[C@H](N1)c2ccccc2 1P01JUX4 [0,0,0,1,0,0|2,0,0]=3 389 B13R2.10 O=C1COC(C1)c2ccccc2 1P027Y9B [0,0,0,1,0,0|2,0,0]=3 390 B13R2.10 O=C1NCC(=C1)c2ccccc2 1P01C698 [0,0,0,1,0,0|1,0,2]=4 391 B13R2.10 O=C1NCC(C1)c2ccccc2 1P000Q57 [0,0,0,1,0,0|1,0,0]=2 392 B13R2.10 O=C1NCC(C1)c2ccccn2 1P01A99Y [0,0,0,1,0,0|2,0,0]=3 393 B13R2.10 O=C1NCC(C1)c2cccnc2 1P00DFCI [0,0,0,1,0,0|2,0,0]=3 394 B13R2.10 O=C1NCC(C1)c2ccncc2 1P01FMGM [0,0,0,1,0,0|2,0,0]=3 395 B13R2.10 O=C1NCC(N1)c2ccccc2 1P00C3FD [0,0,0,1,0,0|2,0,0]=3 396 B13R2.10 O=C1NCC(O1)c2ccccc2 1P00G49F [0,0,0,1,0,0|2,0,0]=3 397 B13R2.10 O=C1NC[C@@H](C1)c2ccccc2 1P00IBIN [0,0,0,1,0,0|1,0,0]=2 398 B13R2.10 O=C1NC[C@@H](O1)c2ccccc2 1P0285H0 [0,0,0,1,0,0|2,0,0]=3 399 B13R2.10 O=C1NC[C@H](O1)c2ccccc2 1P01DUKE [0,0,0,1,0,0|2,0,0]=3 400 B13R2.10 O=C1NNC(C1)c2ccccc2 1P000UXZ [0,0,0,1,0,0|2,0,0]=3 401 B13R2.10 O=C1OCC(=C1)c2ccccc2 1P001PY0 [0,0,0,1,0,0|0,0,2]=3 402 B13R2.10 O=C1OCC(C1)c2ccccc2 1P009OKM [0,0,0,1,0,0|0,0,0]=1 403 B13R2.10 O=C1OCC(N1)c2ccccc2 1P005HEV [0,0,0,1,0,0|1,0,0]=2 404 B13R2.10 O=C1OCC(N1)c2ccccn2 1P028WVV [0,0,0,1,0,0|2,0,0]=3 405 B13R2.10 O=C1OCC(O1)c2ccccc2 1P00DE85 [0,0,0,1,0,0|1,0,0]=2 406 B13R2.10 O=C1OC[C@@H](N1)c2ccccc2 1P0032WS [0,0,0,1,0,0|1,0,0]=2 407 B13R2.10 O=C1OC[C@H](N1)c2ccccc2 1P0032UC [0,0,0,1,0,0|1,0,0]=2 408 B13R2.10 O=C1ON=C(C1)c2cccnc2 1P000472 [0,0,0,1,0,0|2,0,1]=4 409 B13R2.10 O=C1ON=C(C1)c2ccncc2 1P000461 [0,0,0,1,0,0|2,0,1]=4 410 B13R2.10 O=C1SCC(=C1)c2ccccc2 1P005PH7 [0,0,0,1,0,0|0,1,2]=4 411 B13R2.10 O=C1SCC(N1)c2ccccc2 1P00IBPF [0,0,0,1,0,0|1,1,0]=3 412 B13R2.10 O=c1o[nH]c(c1)c2ccccc2 1P003KC7 [0,0,0,1,0,0|1,0,2]=4 413 B13R2.10 O=c1o[nH]c(n1)c2ccccc2 1P001DOK [0,0,0,1,0,0|2,0,1]=4 414 B13R2.10 O=c1onc(o1)c2ccccc2 1P0201WC [0,0,0,1,0,0|2,0,1]=4 415 B13R2.10 OC1CCC(C1)c2ccccc2 1P006WTX [0,0,0,1,0,0|1,0,2]=4 416 B13R2.10 S=C1OC[C@@H](N1)c2ccccc2 1P002FF7 [0,0,0,1,0,0|1,1,0]=3 417 B13R2.10 S=C1OC[C@H](N1)c2ccccc2 1P003CR3 [0,0,0,1,0,0|1,1,0]=3 418 B13R2.10 S=C1SC[C@@H](N1)c2ccccc2 1P00I1ZZ [0,0,0,1,0,0|1,2,0]=4 419 B13R2.10 S=C1SC[C@H](N1)c2ccccc2 1P008SVY [0,0,0,1,0,0|1,2,0]=4 420 B13R2.31 Br[C@@H]1C[C@H](C1)Cc2ccccc2 1P027ZYF [0,0,0,1,0,0|2,0,1]=4 421 B13R2.31 NC1CC(C1)Cc2ccccc2 1P027OVW [0,0,0,1,0,0|2,0,1]=4 422 B13R2.31 N[C@@H]1C[C@@H](C1)Cc2ccccc2 1P027V9P [0,0,0,1,0,0|2,0,1]=4 423 B13R2.31 N[C@@H]1C[C@H](C1)Cc2ccccc2 1P0290XJ [0,0,0,1,0,0|2,0,1]=4 424 B13R2.31 O=C1CC(C1)Oc2ccccc2 1P00ICGI [0,0,0,1,0,0|2,0,0]=3 425 B13R2.31 O=C1CC(C1)Oc2ccccn2 1P027XS1 [0,0,0,1,0,0|3,0,0]=4 426 B13R2.31 O=C1CC(C1)Oc2ccncc2 1P027X3K [0,0,0,1,0,0|3,0,0]=4 427 B13R2.31 O=C1CC(C1)Sc2ccccc2 1P01BXX6 [0,0,0,1,0,0|2,0,0]=3 428 B13R2.31 O=C1CC(N1)Cc2ccccc2 1P00GAKO [0,0,0,1,0,0|1,0,0]=2 429 B13R2.31 OC1CC(C1)Cc2ccccc2 1P002BFN [0,0,0,1,0,0|1,0,2]=4 430 B13R2.31 O[C@@H]1C[C@@H](C1)Cc2ccccc2 1P02901T [0,0,0,1,0,0|1,0,2]=4 431 B13R2.31 O[C@@H]1C[C@H](C1)Cc2ccccc2 1P027XTE [0,0,0,1,0,0|1,0,2]=4 432 B13R2.31 SC1CC(C1)Cc2ccccc2 1P027W46 [0,0,0,1,0,0|1,1,1]=4 433 B13R2.31 S[C@@H]1C[C@H](C1)Cc2ccccc2 1P027VWH [0,0,0,1,0,0|1,1,1]=4 434 B13R2.72 CC(=O)N1CCc2c1cccc2 1P001VT4 [0,0,0,1,0,0|1,0,0]=2 435 B13R2.72 CC(=O)c1c[nH]c2c1cccc2 1P003416 [0,0,0,1,0,0|2,0,1]=4 436 B13R2.72 CC(=O)c1coc2c1cccc2 1P006K3P [0,0,0,1,0,0|2,0,1]=4 437 B13R2.72 CC(=O)c1csc2c1cccc2 1P003J9M [0,0,0,1,0,0|2,0,1]=4 438 B13R2.72 CC(=O)c1n[nH]c2c1cccc2 1P00D9N5 [0,0,0,1,0,0|3,0,0]=4 439 B13R2.72 CC(=O)n1ccc2c1cccc2 1P00IAPX [0,0,0,1,0,0|1,0,2]=4 440 B13R2.72 CC(=O)n1ncc2c1cccc2 1P009DHT [0,0,0,1,0,0|2,0,1]=4 441 B13R2.72 CC(=O)n1nnc2c1cccc2 1P002GXH [0,0,0,1,0,0|3,0,0]=4 442 B13R2.72 ClC(=O)C1COc2c1cccc2 1P01A2BM [0,0,0,1,0,0|3,0,0]=4 443 B13R2.72 ClC(=O)N1CCc2c1cccc2 1P009Q7Y [0,0,0,1,0,0|2,0,0]=3 444 B13R2.72 ClC(=O)N1CCc2c1nccc2 1P0290TW [0,0,0,1,0,0|3,0,0]=4 445 B13R2.72 NC(=N)N1CCc2c1cccc2 1P01BEAW [0,0,0,1,0,0|3,0,0]=4 446 B13R2.72 NC(=O)C1CCc2c1cccc2 1P00CZAI [0,0,0,1,0,0|2,0,0]=3 447 B13R2.72 NC(=O)C1NCc2c1cccc2 1P01JWIU [0,0,0,1,0,0|3,0,0]=4 448 B13R2.72 NC(=O)N1CCc2c1cccc2 1P00EY0W [0,0,0,1,0,0|2,0,0]=3 449 B13R2.72 NC(=S)N1CCc2c1cccc2 1P00EELV [0,0,0,1,0,0|2,1,0]=4 450 B13R2.72 OC(=O)C1=CCc2c1cccc2 1P001I8C [0,0,0,1,0,0|2,0,1]=4 451 B13R2.72 OC(=O)C1CCc2c1cccc2 1P001IVR [0,0,0,1,0,0|2,0,0]=3 452 B13R2.72 OC(=O)C1CCc2c1ccnc2 1P028VBE [0,0,0,1,0,0|3,0,0]=4 453 B13R2.72 OC(=O)C1CCc2c1nccc2 1P01B9NU [0,0,0,1,0,0|3,0,0]=4 454 B13R2.72 OC(=O)C1CNc2c1cccc2 1P002BUP [0,0,0,1,0,0|3,0,0]=4 455 B13R2.72 OC(=O)C1CNc2c1cccc2 1P00778M [0,0,0,1,0,0|3,0,0]=4 456 B13R2.72 OC(=O)C1COc2c1cccc2 1P00C6Q8 [0,0,0,1,0,0|3,0,0]=4 457 B13R2.72 OC(=O)C1CSc2c1cccc2 1P01AJUK [0,0,0,1,0,0|3,0,0]=4 458 B13R2.72 OC(=O)C1NCc2c1cccc2 1P006U03 [0,0,0,1,0,0|3,0,0]=4 459 B13R2.72 OC(=O)C1NCc2c1cccc2 1P00FD4F [0,0,0,1,0,0|3,0,0]=4 460 B13R2.72 OC(=O)C1OCc2c1cccc2 1P01S6HV [0,0,0,1,0,0|3,0,0]=4 461 B13R2.72 OC(=O)[C@@H]1CCc2c1cccc2 1P004H1V [0,0,0,1,0,0|2,0,0]=3 462 B13R2.72 OC(=O)[C@@H]1NCc2c1cccc2 1P00ARNV [0,0,0,1,0,0|3,0,0]=4 463 B13R2.72 OC(=O)[C@H]1CCc2c1cccc2 1P01BUCG [0,0,0,1,0,0|2,0,0]=3 464 B13R2.72 OC(=O)[C@H]1NCc2c1cccc2 1P003BBZ [0,0,0,1,0,0|3,0,0]=4 465 B13R2.163 NC1CCCc2c(C1)cccc2 1P01DWYZ [0,0,0,1,0,0|2,0,1]=4 466 B13R2.163 O=C1CCCc2c(N1)cccc2 1P003DWG [0,0,0,1,0,0|2,0,0]=3 467 B13R2.163 O=C1CCCc2c(N1)nccc2 1P0064UT [0,0,0,1,0,0|3,0,0]=4 468 B13R2.163 O=C1CCCc2c(O1)cccc2 1P0030I8 [0,0,0,1,0,0|2,0,0]=3 469 B13R2.163 O=C1CCNc2c(N1)cccc2 1P003DWH [0,0,0,1,0,0|3,0,0]=4 470 B13R2.163 O=C1CCOc2c(C1)cccc2 1P00I4MQ [0,0,0,1,0,0|2,0,0]=3 471 B13R2.163 O=C1CCOc2c(N1)cccc2 1P005JD1 [0,0,0,1,0,0|3,0,0]=4 472 B13R2.163 O=C1CCSc2c(C1)cccc2 1P00H6RG [0,0,0,1,0,0|2,0,0]=3 473 B13R2.163 O=C1CCSc2c(N1)cccc2 1P00DIZ8 [0,0,0,1,0,0|3,0,0]=4 474 B13R2.163 O=C1CNCc2c(N1)cccc2 1P00B04Y [0,0,0,1,0,0|3,0,0]=4 475 B13R2.163 O=C1CNCc2c(N1)cccc2 1P01B2X0 [0,0,0,1,0,0|3,0,0]=4 476 B13R2.163 O=C1COCc2c(N1)cccc2 1P00CLRN [0,0,0,1,0,0|3,0,0]=4 477 B13R2.163 O=C1CSCc2c(N1)cccc2 1P008288 [0,0,0,1,0,0|3,0,0]=4 478 B13R2.163 O=C1NC=Cc2c(C1)cccc2 1P003EU3 [0,0,0,1,0,0|1,0,2]=4 479 B13R2.163 O=C1NCCc2c(C1)cccc2 1P001RXM [0,0,0,1,0,0|1,0,0]=2 480 B13R2.163 O=C1NCCc2c(N1)cccc2 1P00CJIB [0,0,0,1,0,0|2,0,0]=3 481 B13R2.423 CC(C1CC1c2ccccc2)N 1P019XM2 [0,0,0,1,0,0|2,0,1]=4 482 B13R2.423 CC([C@@H]1C[C@H]1c2ccccc2)N 1P01B9JG [0,0,0,1,0,0|2,0,1]=4 483 B13R2.423 ClC(=O)[C@@H]1C[C@H]1c2ccccc2 1P003VDF [0,0,0,1,0,0|2,0,0]=3 484 B13R2.423 OC(=O)C1CC1c2ccccc2 1P00EC5Y [0,0,0,1,0,0|2,0,0]=3 485 B13R2.423 OC(=O)C1CC1c2ccccn2 1P003F9C [0,0,0,1,0,0|3,0,0]=4 486 B13R2.423 OC(=O)C1CC1c2cccnc2 1P0005UZ [0,0,0,1,0,0|3,0,0]=4 487 B13R2.423 OC(=O)C1CC1c2ccncc2 1P00JQ1X [0,0,0,1,0,0|3,0,0]=4 488 B13R2.423 OC(=O)[C@@H]1C[C@@H]1c2ccccc2 1P006AHI [0,0,0,1,0,0|2,0,0]=3 489 B13R2.423 OC(=O)[C@@H]1C[C@@H]1c2cccnc2 1P00JOOD [0,0,0,1,0,0|3,0,0]=4 490 B13R2.423 OC(=O)[C@@H]1C[C@@H]1c2ccncc2 1P028U6H [0,0,0,1,0,0|3,0,0]=4 491 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccccc2 1P00366E [0,0,0,1,0,0|2,0,0]=3 492 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2cccnc2 1P00FGKV [0,0,0,1,0,0|3,0,0]=4 493 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2cccnc2 1P028DIA [0,0,0,1,0,0|3,0,0]=4 494 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccncc2 1P01C2R7 [0,0,0,1,0,0|3,0,0]=4 495 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2ccccc2 1P002MD0 [0,0,0,1,0,0|2,0,0]=3 496 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2ccccn2 1P01K8Q6 [0,0,0,1,0,0|3,0,0]=4 497 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2cccnc2 1P001T5Y [0,0,0,1,0,0|3,0,0]=4 498 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2cccnc2 1P028NSH [0,0,0,1,0,0|3,0,0]=4 499 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2ccncc2 1P028RE4 [0,0,0,1,0,0|3,0,0]=4 500 B13R2.423 OC(=O)[C@H]1C[C@H]1c2ccccc2 1P00CCIK [0,0,0,1,0,0|2,0,0]=3 501 B13R2.2382 C(Cc1ccccc1)NC2CC2 1P01C86C [0,0,0,1,0,0|2,0,1]=4 502 B13R2.3122 CC1(C)NCCc2c1cccc2 1P0072AV [0,0,0,1,0,0|2,0,1]=4 503 B13R2.3122 CC1(C)NCCc2c1cccc2 1P01A4YW [0,0,0,1,0,0|2,0,1]=4 504 B13R2.3122 CC1(N)CCCc2c1cccc2 1P01A5R9 [0,0,0,1,0,0|2,0,1]=4 505 B13R2.3122 CC1(N)CCCc2c1cccc2 1P01A9ND [0,0,0,1,0,0|2,0,1]=4 506 B13R2.3122 CC1(O)CCCc2c1cccc2 1P00JHF8 [0,0,0,1,0,0|1,0,2]=4 507 B11R1.91 CC(=C)COc1ccccc1 1P003RYC [0,0,0,0,1,0|2,0,0]=3 508 B11R1.91 CC(=C)COc1cccnc1 1P01BVZD [0,0,0,0,1,0|3,0,0]=4 509 B11R1.91 CC(=CCc1ccccc1)C 1P0071P0 [0,0,0,0,1,0|1,0,1]=3 510 B11R1.91 CC(=N)NCc1ccccc1 1P00AQS6 [0,0,0,0,1,0|2,0,0]=3 511 B11R1.91 CC(=O)C#Cc1ccccc1 1P0023J2 [0,0,0,0,1,0|0,0,2]=3 512 B11R1.91 CC(=O)C=Cc1ccccc1 1P0016ZQ [0,0,0,0,1,0|0,0,2]=3 513 B11R1.91 CC(=O)C=Cc1ccccn1 1P01BF2A [0,0,0,0,1,0|1,0,2]=4 514 B11R1.91 CC(=O)CCc1ccccc1 1P003OLF [0,0,0,0,1,0|0,0,0]=1 515 B11R1.91 CC(=O)CCc1ccccn1 1P00591V [0,0,0,0,1,0|1,0,0]=2 516 B11R1.91 CC(=O)CCc1cccnc1 1P01BTZ4 [0,0,0,0,1,0|1,0,0]=2 517 B11R1.91 CC(=O)CCc1ccncc1 1P01FJT3 [0,0,0,0,1,0|1,0,0]=2 518 B11R1.91 CC(=O)COc1ccccc1 1P003U54 [0,0,0,0,1,0|1,0,0]=2 519 B11R1.91 CC(=O)CSc1ccccc1 1P006UAN [0,0,0,0,1,0|1,0,0]=2 520 B11R1.91 CC(=O)NCc1ccccc1 1P003T87 [0,0,0,0,1,0|1,0,0]=2 521 B11R1.91 CC(=O)NCc1ccccn1 1P019LWA [0,0,0,0,1,0|2,0,0]=3 522 B11R1.91 CC(=O)NCc1cccnc1 1P002M86 [0,0,0,0,1,0|2,0,0]=3 523 B11R1.91 CC(=O)NCc1cccnn1 1P01BW9E [0,0,0,0,1,0|3,0,0]=4 524 B11R1.91 CC(=O)NNc1ccccc1 1P000AQR [0,0,0,0,1,0|2,0,0]=3 525 B11R1.91 CC(=O)OCc1ccccc1 1P001CDM [0,0,0,0,1,0|0,0,0]=1 526 B11R1.91 CC(=O)OCc1ccccn1 1P000353 [0,0,0,0,1,0|1,0,0]=2 527 B11R1.91 CC(=O)OCc1cccnc1 1P00036I [0,0,0,0,1,0|1,0,0]=2 528 B11R1.91 CC(=O)SCc1ccccc1 1P00C8DO [0,0,0,0,1,0|0,1,0]=2 529 B11R1.91 CC(=O)\C=C\c1ccccc1 1P002E97 [0,0,0,0,1,0|0,0,2]=3 530 B11R1.91 CC(CCc1ccccc1)Br 1P018SBF [0,0,0,0,1,0|1,0,1]=3 531 B11R1.91 CC(CCc1ccccc1)C 1P002A7L [0,0,0,0,1,0|1,0,1]=3 532 B11R1.91 CC(CCc1ccccc1)O 1P002NPI [0,0,0,0,1,0|0,0,2]=3 533 B11R1.91 CC(CCc1ccccn1)N 1P028K2L [0,0,0,0,1,0|2,0,1]=4 534 B11R1.91 CC(CCc1ccccn1)O 1P01EMUJ [0,0,0,0,1,0|1,0,2]=4 535 B11R1.91 CC(CCc1cccnc1)N 1P01ZZDK [0,0,0,0,1,0|2,0,1]=4 536 B11R1.91 CC(CNc1ccccc1)C 1P01BBFJ [0,0,0,0,1,0|2,0,1]=4 537 B11R1.91 CC(CNc1ccccc1)N 1P01AHZV [0,0,0,0,1,0|2,0,1]=4 538 B11R1.91 CC(CNc1ccccc1)O 1P01A8L3 [0,0,0,0,1,0|1,0,2]=4 539 B11R1.91 CC(COc1ccccc1)Cl 1P003F26 [0,0,0,0,1,0|2,0,1]=4 540 B11R1.91 CC(COc1ccccc1)N 1P00B4N7 [0,0,0,0,1,0|2,0,1]=4 541 B11R1.91 CC(COc1ccccc1)N 1P00CASM [0,0,0,0,1,0|2,0,1]=4 542 B11R1.91 CC(COc1ccccc1)O 1P003BIN [0,0,0,0,1,0|1,0,2]=4 543 B11R1.91 CC(CSc1ccccc1)N 1P01ASU9 [0,0,0,0,1,0|2,0,1]=4 544 B11R1.91 CC(NCc1ccccc1)C 1P0006PT [0,0,0,0,1,0|2,0,1]=4 545 B11R1.91 CC(NCc1ccccc1)C 1P01LIWH [0,0,0,0,1,0|2,0,1]=4 546 B11R1.91 CC(OCc1ccccc1)C 1P01EV13 [0,0,0,0,1,0|1,0,1]=3 547 B11R1.91 CN(CCc1ccccc1)C 1P0008RA [0,0,0,0,1,0|2,0,0]=3 548 B11R1.91 CN(CCc1ccccc1)C 1P003T27 [0,0,0,0,1,0|2,0,0]=3 549 B11R1.91 CN(CCc1ccccn1)C 1P003F88 [0,0,0,0,1,0|3,0,0]=4 550 B11R1.91 CN(NCc1ccccc1)C 1P005L63 [0,0,0,0,1,0|3,0,0]=4 551 B11R1.91 C[C@@H](CCc1ccccc1)O 1P003CY4 [0,0,0,0,1,0|0,0,2]=3 552 B11R1.91 C[C@@H](COc1ccccc1)N 1P028UI7 [0,0,0,0,1,0|2,0,1]=4 553 B11R1.91 C[C@H](CCc1ccccc1)N 1P02842V [0,0,0,0,1,0|1,0,1]=3 554 B11R1.91 C[C@H](CCc1ccccc1)O 1P003CJW [0,0,0,0,1,0|0,0,2]=3 555 B11R1.91 C[C@H](COc1ccccc1)N 1P028USB [0,0,0,0,1,0|2,0,1]=4 556 B11R1.91 ClC(=C)CSc1ccccc1 1P01EME7 [0,0,0,0,1,0|2,0,1]=4 557 B11R1.91 ClC(=O)C=Cc1ccccc1 1P0006PX [0,0,0,0,1,0|1,0,2]=4 558 B11R1.91 ClC(=O)CCc1ccccc1 1P003KCH [0,0,0,0,1,0|1,0,0]=2 559 B11R1.91 ClC(=O)COc1ccccc1 1P003U56 [0,0,0,0,1,0|2,0,0]=3 560 B11R1.91 ClC(=O)CSc1ccncc1 1P00I5MB [0,0,0,0,1,0|3,0,0]=4 561 B11R1.91 ClC(=O)OCc1cccnc1 1P01DWJE [0,0,0,0,1,0|2,0,0]=3 562 B11R1.91 ClC(=O)\C=C\c1ccccc1 1P00ACFX [0,0,0,0,1,0|1,0,2]=4 563 B11R1.91 NC(=N)CCc1ccccc1 1P00CD5C [0,0,0,0,1,0|2,0,0]=3 564 B11R1.91 NC(=N)COc1ccccc1 1P003IB1 [0,0,0,0,1,0|3,0,0]=4 565 B11R1.91 NC(=N)CSc1ccccc1 1P004RQX [0,0,0,0,1,0|3,0,0]=4 566 B11R1.91 NC(=N)NCc1ccccc1 1P00HE8W [0,0,0,0,1,0|3,0,0]=4 567 B11R1.91 NC(=N)NCc1ccccc1 1P00J2IU [0,0,0,0,1,0|3,0,0]=4 568 B11R1.91 NC(=N)SCc1ccccc1 1P00394W [0,0,0,0,1,0|2,1,0]=4 569 B11R1.91 NC(=N)[NH2+]Cc1ccccc1 1P0070M0 [0,0,0,0,1,0|3,0,0]=4 570 B11R1.91 NC(=NCc1ccccc1)N 1P01AJFT [0,0,0,0,1,0|3,0,0]=4 571 B11R1.91 NC(=O)C#Cc1ccccc1 1P00697N [0,0,0,0,1,0|1,0,2]=4 572 B11R1.91 NC(=O)C=Cc1ccccc1 1P00352M [0,0,0,0,1,0|1,0,2]=4 573 B11R1.91 NC(=O)CCc1ccccc1 1P0006PW [0,0,0,0,1,0|1,0,0]=2 574 B11R1.91 NC(=O)CCc1cccnc1 1P004YZ2 [0,0,0,0,1,0|2,0,0]=3 575 B11R1.91 NC(=O)CCc1ccncc1 1P00IDTF [0,0,0,0,1,0|2,0,0]=3 576 B11R1.91 NC(=O)CNc1ccccc1 1P00C37C [0,0,0,0,1,0|2,0,0]=3 577 B11R1.91 NC(=O)COc1ccccc1 1P00EASD [0,0,0,0,1,0|2,0,0]=3 578 B11R1.91 NC(=O)COc1cccnc1 1P01A97N [0,0,0,0,1,0|3,0,0]=4 579 B11R1.91 NC(=O)CSc1ccccc1 1P00BJGD [0,0,0,0,1,0|2,0,0]=3 580 B11R1.91 NC(=O)NCc1ccccc1 1P003OM7 [0,0,0,0,1,0|2,0,0]=3 581 B11R1.91 NC(=O)NCc1ccccn1 1P00IRVC [0,0,0,0,1,0|3,0,0]=4 582 B11R1.91 NC(=O)NCc1cccnc1 1P00CKKY [0,0,0,0,1,0|3,0,0]=4 583 B11R1.91 NC(=O)NCc1ccncc1 1P01A9GM [0,0,0,0,1,0|3,0,0]=4 584 B11R1.91 NC(=O)NNc1ccccc1 1P003F3K [0,0,0,0,1,0|3,0,0]=4 585 B11R1.91 NC(=O)OCc1ccccc1 1P00IBFU [0,0,0,0,1,0|1,0,0]=2 586 B11R1.91 NC(=O)\C=C/c1ccccc1 1P0076YW [0,0,0,0,1,0|1,0,2]=4 587 B11R1.91 NC(=O)\C=C\c1ccccc1 1P00352N [0,0,0,0,1,0|1,0,2]=4 588 B11R1.91 NC(=S)CCc1ccccc1 1P006QBP [0,0,0,0,1,0|1,1,0]=3 589 B11R1.91 NC(=S)COc1ccccc1 1P003IBE [0,0,0,0,1,0|2,1,0]=4 590 B11R1.91 NC(=S)NCc1ccccc1 1P003OLU [0,0,0,0,1,0|2,1,0]=4 591 B11R1.91 NC(=S)NCc1ccccc1 1P01AKHE [0,0,0,0,1,0|2,1,0]=4 592 B11R1.91 OB(CCc1ccccc1)O 1P0035XH [0,0,0,0,1,0|2,0,1]=4 593 B11R1.91 OC(=O)C#Cc1ccccc1 1P003U6Q [0,0,0,0,1,0|1,0,2]=4 594 B11R1.91 OC(=O)C=Cc1ccccc1 1P0037GS [0,0,0,0,1,0|1,0,2]=4 595 B11R1.91 OC(=O)CCc1ccccc1 1P003RFB [0,0,0,0,1,0|1,0,0]=2 596 B11R1.91 OC(=O)CCc1ccccn1 1P003II5 [0,0,0,0,1,0|2,0,0]=3 597 B11R1.91 OC(=O)CCc1ccccn1 1P01BEQE [0,0,0,0,1,0|2,0,0]=3 598 B11R1.91 OC(=O)CCc1cccnc1 1P003IJC [0,0,0,0,1,0|2,0,0]=3 599 B11R1.91 OC(=O)CCc1cccnn1 1P00ILVC [0,0,0,0,1,0|3,0,0]=4 600 B11R1.91 OC(=O)CCc1ccncc1 1P0039U4 [0,0,0,0,1,0|2,0,0]=3 601 B11R1.91 OC(=O)CCc1ccncn1 1P0055B8 [0,0,0,0,1,0|3,0,0]=4 602 B11R1.91 OC(=O)CCc1cnccn1 1P00FDK0 [0,0,0,0,1,0|3,0,0]=4 603 B11R1.91 OC(=O)CCc1cnccn1 1P028581 [0,0,0,0,1,0|3,0,0]=4 604 B11R1.91 OC(=O)CCc1cncnc1 1P00II0L [0,0,0,0,1,0|3,0,0]=4 605 B11R1.91 OC(=O)CCc1ncccn1 1P00DEA5 [0,0,0,0,1,0|3,0,0]=4 606 B11R1.91 OC(=O)CNc1ccccc1 1P003TRX [0,0,0,0,1,0|2,0,0]=3 607 B11R1.91 OC(=O)CNc1ccccn1 1P00DG3D [0,0,0,0,1,0|3,0,0]=4 608 B11R1.91 OC(=O)CNc1ccccn1 1P00HCVK [0,0,0,0,1,0|3,0,0]=4 609 B11R1.91 OC(=O)CNc1cccnc1 1P00CILN [0,0,0,0,1,0|3,0,0]=4 610 B11R1.91 OC(=O)CNc1cccnc1 1P01DX0R [0,0,0,0,1,0|3,0,0]=4 611 B11R1.91 OC(=O)CNc1ccncc1 1P00DLDX [0,0,0,0,1,0|3,0,0]=4 612 B11R1.91 OC(=O)CNc1ccncc1 1P00FUIP [0,0,0,0,1,0|3,0,0]=4 613 B11R1.91 OC(=O)COc1ccccc1 1P0016ZP [0,0,0,0,1,0|2,0,0]=3 614 B11R1.91 OC(=O)COc1ccccn1 1P00IAV5 [0,0,0,0,1,0|3,0,0]=4 615 B11R1.91 OC(=O)COc1ccccn1 1P01JV0E [0,0,0,0,1,0|3,0,0]=4 616 B11R1.91 OC(=O)COc1cccnc1 1P004LEB [0,0,0,0,1,0|3,0,0]=4 617 B11R1.91 OC(=O)COc1cccnc1 1P00DK7D [0,0,0,0,1,0|3,0,0]=4 618 B11R1.91 OC(=O)COc1ccncc1 1P00IAV4 [0,0,0,0,1,0|3,0,0]=4 619 B11R1.91 OC(=O)CSc1ccccc1 1P003CIK [0,0,0,0,1,0|2,0,0]=3 620 B11R1.91 OC(=O)CSc1ccccn1 1P0000S4 [0,0,0,0,1,0|3,0,0]=4 621 B11R1.91 OC(=O)CSc1ccncc1 1P003CDE [0,0,0,0,1,0|3,0,0]=4 622 B11R1.91 OC(=O)\C=C\c1ccccc1 1P001CDN [0,0,0,0,1,0|1,0,2]=4 623 B11R1.91 [O-]C(=O)C=Cc1ccccc1 1P001VX1 [0,0,0,0,1,0|1,0,2]=4 624 B11R1.91 [O-]C(=O)CCc1ccccc1 1P0036E4 [0,0,0,0,1,0|1,0,0]=2 625 B11R1.91 [O-]C(=O)CNc1ccccc1 1P003TRZ [0,0,0,0,1,0|2,0,0]=3 626 B11R1.91 [O-]C(=O)COc1ccccc1 1P003UU9 [0,0,0,0,1,0|2,0,0]=3 627 B11R1.91 [O-]C(=O)COc1ccccc1 1P00I6DB [0,0,0,0,1,0|2,0,0]=3 628 B11R1.91 [O-]C(=O)COc1ccccn1 1P01EKJX [0,0,0,0,1,0|3,0,0]=4 629 B11R1.91 [O-]C(=O)\C=C\c1ccccc1 1P00IA2C [0,0,0,0,1,0|1,0,2]=4 630 B11R1.91 [O-]S(=O)CCc1ccccc1 1P01C8OV [0,0,0,0,1,0|2,0,0]=3 631 B11R1.91 [O-][N+](=O)CCc1ccccc1 1P00E9PH [0,0,0,0,1,0|2,0,0]=3 632 B11R1.91 [S-]C(=S)NCc1ccccc1 1P01EI8C [0,0,0,0,1,0|2,1,0]=4 633 B11R1.172 CC(=CCCc1cocc1)C 1P00DCZP [0,0,0,0,1,0|3,0,0]=4 634 B11R1.172 CC(=O)NCCc1cnc[nH]1 1P005PFQ [0,0,0,0,1,0|3,0,0]=4 635 B11R1.172 NC(=O)NCCc1cccs1 1P008UOR [0,0,0,0,1,0|3,0,0]=4 636 B11R1.172 OC(=O)CCCc1cccs1 1P00349F [0,0,0,0,1,0|3,0,0]=4 637 B11R1.172 OC(=O)CCCc1cscc1 1P001N4I [0,0,0,0,1,0|3,0,0]=4 638 B11R1.172 OC(=O)CCCn1cccc1 1P00FHV5 [0,0,0,0,1,0|3,0,0]=4 639 B13R1.337 CC(=O)CCCCc1ccccc1 1P001HE7 [0,0,0,0,0,1|1,0,0]=2 640 B13R1.337 CC(=O)CCNCc1ccccc1 1P00IDVP [0,0,0,0,0,1|1,0,0]=2 641 B13R1.337 CC(=O)CCOCc1ccccc1 1P003L9S [0,0,0,0,0,1|1,0,0]=2 642 B13R1.337 CC(=O)OCCCc1ccccc1 1P00170Q [0,0,0,0,0,1|0,0,0]=1 643 B13R1.337 CC(=O)OCCOc1ccccc1 1P003O3A [0,0,0,0,0,1|0,0,0]=1 644 B13R1.337 CC(=O)OC\C=C\c1ccccc1 1P00HADD [0,0,0,0,0,1|0,0,1]=2 645 B13R1.337 CC(CCNCc1ccccc1)C 1P00E08O [0,0,0,0,0,1|2,0,1]=4 646 B13R1.337 CC(CCNCc1ccccc1)C 1P01S7X8 [0,0,0,0,0,1|2,0,1]=4 647 B13R1.337 CC(CCOCc1ccccc1)N 1P01BBSD [0,0,0,0,0,1|2,0,1]=4 648 B13R1.337 CC(CCOCc1ccccc1)O 1P00DOW1 [0,0,0,0,0,1|1,0,2]=4 649 B13R1.337 CC(CONCc1ccccc1)C 1P01C2F0 [0,0,0,0,0,1|2,0,1]=4 650 B13R1.337 CC(NCCCc1ccccc1)C 1P00J24P [0,0,0,0,0,1|2,0,1]=4 651 B13R1.337 CC(NCCOc1ccccc1)C 1P00J24Q [0,0,0,0,0,1|2,0,1]=4 652 B13R1.337 CC(NCCSc1ccccc1)C 1P005QQ9 [0,0,0,0,0,1|2,0,1]=4 653 B13R1.337 CN(CCNCc1ccccc1)C 1P003T8R [0,0,0,0,0,1|3,0,0]=4 654 B13R1.337 C[C@@H](CCOCc1ccccc1)N 1P0293R4 [0,0,0,0,0,1|2,0,1]=4 655 B13R1.337 C[C@@H](CCOCc1ccccc1)O 1P008PC2 [0,0,0,0,0,1|1,0,2]=4 656 B13R1.337 ClC(=O)CCOCc1ccccc1 1P00D6MI [0,0,0,0,0,1|2,0,0]=3 657 B13R1.337 ClC(=O)OCCCc1ccccc1 1P028B1G [0,0,0,0,0,1|1,0,0]=2 658 B13R1.337 ClC(=O)OCCOc1ccccc1 1P00BXS4 [0,0,0,0,0,1|1,0,0]=2 659 B13R1.337 NC(=N)CCCOc1ccccc1 1P019Y1A [0,0,0,0,0,1|3,0,0]=4 660 B13R1.337 NC(=O)CCNCc1ccccc1 1P001VL2 [0,0,0,0,0,1|2,0,0]=3 661 B13R1.337 NC(=O)NCCCc1ccccc1 1P01AAW5 [0,0,0,0,0,1|2,0,0]=3 662 B13R1.337 NC(=O)OCCCc1ccccc1 1P01E9L7 [0,0,0,0,0,1|1,0,0]=2 663 B13R1.337 NC(=S)NCCCc1ccccc1 1P00GVTG [0,0,0,0,0,1|2,1,0]=4 664 B13R1.337 OC(=O)C#CCCc1ccccc1 1P027TV1 [0,0,0,0,0,1|2,0,0]=3 665 B13R1.337 OC(=O)C#CCOc1ccccc1 1P01G9JH [0,0,0,0,0,1|2,0,1]=4 666 B13R1.337 OC(=O)C=NOCc1ccccc1 1P008OPA [0,0,0,0,0,1|3,0,0]=4 667 B13R1.337 OC(=O)CC=CCc1ccccc1 1P0292AF [0,0,0,0,0,1|2,0,1]=4 668 B13R1.337 OC(=O)CCC#Cc1ccccc1 1P007FG8 [0,0,0,0,0,1|2,0,1]=4 669 B13R1.337 OC(=O)CCCCc1ccccc1 1P003NF4 [0,0,0,0,0,1|2,0,0]=3 670 B13R1.337 OC(=O)CCCCc1cccnc1 1P01DTQ6 [0,0,0,0,0,1|3,0,0]=4 671 B13R1.337 OC(=O)CCCCc1ccncc1 1P0048FK [0,0,0,0,0,1|3,0,0]=4 672 B13R1.337 OC(=O)CCCNc1ccccc1 1P0008Y2 [0,0,0,0,0,1|2,0,0]=3 673 B13R1.337 OC(=O)CCCOc1ccccc1 1P003MFH [0,0,0,0,0,1|2,0,0]=3 674 B13R1.337 OC(=O)CCCOc1cccnc1 1P019TFI [0,0,0,0,0,1|3,0,0]=4 675 B13R1.337 OC(=O)CCCSc1ccccc1 1P0025S7 [0,0,0,0,0,1|2,0,0]=3 676 B13R1.337 OC(=O)CCNCc1ccccc1 1P00D9Z4 [0,0,0,0,0,1|2,0,0]=3 677 B13R1.337 OC(=O)CCNCc1ccccc1 1P00J3Y1 [0,0,0,0,0,1|2,0,0]=3 678 B13R1.337 OC(=O)CCNCc1ccccn1 1P019VGL [0,0,0,0,0,1|3,0,0]=4 679 B13R1.337 OC(=O)CCNCc1cccnc1 1P00J1R5 [0,0,0,0,0,1|3,0,0]=4 680 B13R1.337 OC(=O)CCNCc1cccnc1 1P01AAEY [0,0,0,0,0,1|3,0,0]=4 681 B13R1.337 OC(=O)CCNCc1ccncc1 1P019VGQ [0,0,0,0,0,1|3,0,0]=4 682 B13R1.337 OC(=O)CCOCc1ccccc1 1P003AC3 [0,0,0,0,0,1|2,0,0]=3 683 B13R1.337 OC(=O)CCSCc1ccccc1 1P002VLI [0,0,0,0,0,1|2,0,0]=3 684 B13R1.337 OC(=O)CCSCc1ccccn1 1P019WFV [0,0,0,0,0,1|3,0,0]=4 685 B13R1.337 OC(=O)CC\C=C\c1ccccc1 1P0027BM [0,0,0,0,0,1|2,0,1]=4 686 B13R1.337 OC(=O)CNCCc1ccccc1 1P01AI5G [0,0,0,0,0,1|2,0,0]=3 687 B13R1.337 OC(=O)COCCc1ccccc1 1P008LA5 [0,0,0,0,0,1|1,0,0]=2 688 B13R1.337 OC(=O)CSCCc1ccccc1 1P019L1R [0,0,0,0,0,1|1,1,0]=3 689 B13R1.337 OC(=O)C\C=C\Cc1ccccc1 1P01B6SR [0,0,0,0,0,1|2,0,1]=4 690 B13R1.337 OC(=O)\C=C/SCc1ccccc1 1P0018ZG [0,0,0,0,0,1|2,0,1]=4 691 B13R1.337 OC(=O)\C=C\CCc1ccccc1 1P00DTE7 [0,0,0,0,0,1|2,0,0]=3 692 B13R1.337 OC(=O)\C=C\COc1ccccc1 1P01EMNN [0,0,0,0,0,1|2,0,1]=4 693 B13R1.337 OC(=O)\C=C\OCc1ccccc1 1P000XU1 [0,0,0,0,0,1|2,0,1]=4 694 B13R1.337 OC(=S)CCCOc1ccccc1 1P005LKD [0,0,0,0,0,1|2,0,1]=4 695 B10R1.17 BrCCCc1ccccc1 1P003EL3 [2,0,0,0,0,0|1,0,1]=4 696 B10R1.17 BrCOCc1ccccc1 1P0025GN [2,0,0,0,0,0|1,0,1]=4 697 B10R1.17 C=CCCc1ccccc1 1P003MFS [2,0,0,0,0,0|0,0,1]=3 698 B10R1.17 C=CCCc1ccccn1 1P002M25 [2,0,0,0,0,0|1,0,1]=4 699 B10R1.17 C=CCCc1cccnc1 1P00663U [2,0,0,0,0,0|1,0,1]=4 700 B10R1.17 C=CCNc1ccccc1 1P003T6A [2,0,0,0,0,0|1,0,1]=4 701 B10R1.17 C=CCOc1ccccc1 1P00209R [2,0,0,0,0,0|1,0,1]=4 702 B10R1.17 C=CCSc1ccccc1 1P003O6K [2,0,0,0,0,0|1,0,1]=4 703 B10R1.17 C=COCc1ccccc1 1P003AEJ [2,0,0,0,0,0|0,0,1]=3 704 B10R1.17 C=NOCc1ccccc1 1P027KVW [2,0,0,0,0,0|1,0,1]=4 705 B10R1.17 CCCC[n+]1ccccc1 1P0029B3 [2,0,0,0,0,0|1,0,1]=4 706 B10R1.17 CCCC[n+]1ccccc1 1P003BI3 [2,0,0,0,0,0|1,0,1]=4 707 B10R1.17 CCCC[n+]1ccccc1 1P003ENE [2,0,0,0,0,0|1,0,1]=4 708 B10R1.17 CCCC[n+]1ccccc1 1P003ENF [2,0,0,0,0,0|1,0,1]=4 709 B10R1.17 CCCC[n+]1ccccc1 1P007726 [2,0,0,0,0,0|1,0,1]=4 710 B10R1.17 CCCC[n+]1ccccc1 1P01IGTS [2,0,0,0,0,0|1,0,1]=4 711 B10R1.17 CCCCc1ccccc1 1P003P2W [2,0,0,0,0,0|0,0,1]=3 712 B10R1.17 CCCCc1ccccn1 1P01FFM0 [2,0,0,0,0,0|1,0,1]=4 713 B10R1.17 CCCCc1cccnc1 1P00343V [2,0,0,0,0,0|1,0,1]=4 714 B10R1.17 CCCCc1ccncc1 1P00I9ZL [2,0,0,0,0,0|1,0,1]=4 715 B10R1.17 CCCNc1ccccc1 1P003TSL [2,0,0,0,0,0|1,0,1]=4 716 B10R1.17 CCCOc1ccccc1 1P00E98Z [2,0,0,0,0,0|1,0,1]=4 717 B10R1.17 CCNCc1ccccc1 1P003TGS [2,0,0,0,0,0|1,0,1]=4 718 B10R1.17 CNCCc1ccccc1 1P003TP4 [2,0,0,0,0,0|1,0,0]=3 719 B10R1.17 CNCCc1ccccc1 1P00CJS7 [2,0,0,0,0,0|1,0,0]=3 720 B10R1.17 CNCCc1ccccn1 1P003OMV [2,0,0,0,0,0|2,0,0]=4 721 B10R1.17 CNCCc1ccccn1 1P003TMX [2,0,0,0,0,0|2,0,0]=4 722 B10R1.17 CNCCc1ccccn1 1P00IAF0 [2,0,0,0,0,0|2,0,0]=4 723 B10R1.17 CNCCc1cccnc1 1P00025V [2,0,0,0,0,0|2,0,0]=4 724 B10R1.17 CNCCc1cccnc1 1P0039D0 [2,0,0,0,0,0|2,0,0]=4 725 B10R1.17 CNCCc1ccncc1 1P0004J6 [2,0,0,0,0,0|2,0,0]=4 726 B10R1.17 CNCCc1ccncc1 1P00D8ZU [2,0,0,0,0,0|2,0,0]=4 727 B10R1.17 CNNCc1ccccc1 1P007YMP [2,0,0,0,0,0|2,0,0]=4 728 B10R1.17 CNNCc1ccccc1 1P01EKFO [2,0,0,0,0,0|2,0,0]=4 729 B10R1.17 CNOCc1ccccc1 1P005PAZ [2,0,0,0,0,0|1,0,0]=3 730 B10R1.17 CNOCc1ccccc1 1P01A29U [2,0,0,0,0,0|1,0,0]=3 731 B10R1.17 COCCc1ccccc1 1P003C4E [2,0,0,0,0,0|0,0,0]=2 732 B10R1.17 COCSc1ccccc1 1P0019FA [2,0,0,0,0,0|1,0,0]=3 733 B10R1.17 CONCc1ccccc1 1P006Y6C [2,0,0,0,0,0|1,0,0]=3 734 B10R1.17 CONCc1ccccc1 1P01A5XA [2,0,0,0,0,0|1,0,0]=3 735 B10R1.17 ClCCCc1ccccc1 1P003BI4 [2,0,0,0,0,0|1,0,1]=4 736 B10R1.17 ClCOCc1ccccc1 1P0034YY [2,0,0,0,0,0|1,0,1]=4 737 B10R1.17 ICCCc1ccccc1 1P003EWA [2,0,0,0,0,0|1,0,1]=4 738 B10R1.17 N#CCCc1ccccc1 1P003KCJ [2,0,0,0,0,0|1,0,1]=4 739 B10R1.17 NCCCc1ccccc1 1P0029L7 [2,0,0,0,0,0|1,0,1]=4 740 B10R1.17 NNCCc1ccccc1 1P001OVR [2,0,0,0,0,0|2,0,0]=4 741 B10R1.17 NNCCc1ccccc1 1P00B63Y [2,0,0,0,0,0|2,0,0]=4 742 B10R1.17 NNCCc1ccccc1 1P00DB0J [2,0,0,0,0,0|2,0,0]=4 743 B10R1.17 NNCCc1ccccc1 1P00I9LM [2,0,0,0,0,0|2,0,0]=4 744 B10R1.17 NOCCc1ccccc1 1P0071ZN [2,0,0,0,0,0|1,0,0]=3 745 B10R1.17 O=C=NCc1ccccc1 1P0034Z0 [2,0,0,0,0,0|1,0,1]=4 746 B10R1.17 O=CC#Cc1ccccc1 1P003U6O [2,0,0,0,0,0|0,0,2]=4 747 B10R1.17 O=CC=Cc1ccccc1 1P00HAPU [2,0,0,0,0,0|0,0,2]=4 748 B10R1.17 O=CCCc1ccccc1 1P003RFA [2,0,0,0,0,0|0,0,0]=2 749 B10R1.17 O=CCCc1ccccn1 1P00BGWO [2,0,0,0,0,0|1,0,0]=3 750 B10R1.17 O=CCCc1cccnc1 1P00228Y [2,0,0,0,0,0|1,0,0]=3 751 B10R1.17 O=CCCc1ccncc1 1P0075XB [2,0,0,0,0,0|1,0,0]=3 752 B10R1.17 O=CCOc1ccccc1 1P007P8S [2,0,0,0,0,0|1,0,0]=3 753 B10R1.17 O=CCOc1ccccn1 1P01C7JG [2,0,0,0,0,0|2,0,0]=4 754 B10R1.17 O=CNCc1ccccc1 1P003T8E [2,0,0,0,0,0|1,0,0]=3 755 B10R1.17 O=CNNc1ccccc1 1P00IBGB [2,0,0,0,0,0|2,0,0]=4 756 B10R1.17 O=COCc1ccccc1 1P008RMC [2,0,0,0,0,0|0,0,0]=2 757 B10R1.17 O=C[CH]Cc1ccccc1 1P008PN3 [2,0,0,0,0,0|0,0,1]=3 758 B10R1.17 O=C\C=C\c1ccccc1 1P001IPM [2,0,0,0,0,0|0,0,2]=4 759 B10R1.17 OCCCc1ccccc1 1P00170B [2,0,0,0,0,0|0,0,2]=4 760 B10R1.17 ONCCc1ccccc1 1P00CZ3B [2,0,0,0,0,0|1,0,1]=4 761 B10R1.17 SCCCc1ccccc1 1P002PQQ [2,0,0,0,0,0|0,1,1]=4 762 B10R1.17 [C-]#[N+]CCc1ccccc1 1P00EA9F [2,0,0,0,0,0|1,0,1]=4 763 B12R1.1 C=CCCCc1ccc(cc1)Br 1P01EMLH [1,1,0,0,0,0|1,0,1]=4 764 B12R1.1 CC=CCOc1ccc(cc1)Br 1P01A6HI [1,1,0,0,0,0|2,0,0]=4 765 B12R1.1 CCCCCc1ccc(cc1)Br 1P003MF5 [1,1,0,0,0,0|1,0,1]=4 766 B12R1.1 CCCCCc1ccc(cc1)F 1P002W82 [1,1,0,0,0,0|1,0,1]=4 767 B12R1.1 CCCCCc1ccc(cc1)N 1P003MF2 [1,1,0,0,0,0|1,0,1]=4 768 B12R1.1 CCCCCc1ccc(cc1)O 1P001M3J [1,1,0,0,0,0|1,0,1]=4 769 B12R1.1 CNCCCc1ccc(cc1)Br 1P01G05E [1,1,0,0,0,0|2,0,0]=4 770 B12R1.1 O=C=NCCc1ccc(cc1)Br 1P01FM74 [1,1,0,0,0,0|1,0,1]=4 771 B12R1.1 O=C=NCCc1ccc(cc1)C 1P01B34Y [1,1,0,0,0,0|1,0,1]=4 772 B12R1.1 O=C=NCCc1ccc(cc1)Cl 1P003LOD [1,1,0,0,0,0|1,0,1]=4 773 B12R1.1 O\C=N\CCc1ccc(cc1)F 1P003LWG [1,1,0,0,0,0|1,0,1]=4 774 B12R1.8 BrCCCCCc1ccccc1 1P001KHB [1,1,0,0,0,0|1,0,1]=4 775 B12R1.8 C=CCCNCc1ccccc1 1P00785Y [1,1,0,0,0,0|1,0,1]=4 776 B12R1.8 C=CCCOCc1ccccc1 1P0069TJ [1,1,0,0,0,0|1,0,1]=4 777 B12R1.8 C=CCNCCc1ccccc1 1P00JU2L [1,1,0,0,0,0|1,0,1]=4 778 B12R1.8 C=CCNCCc1ccccc1 1P00JU2M [1,1,0,0,0,0|1,0,1]=4 779 B12R1.8 CCCCCCc1ccccc1 1P003RE5 [1,1,0,0,0,0|1,0,1]=4 780 B12R1.8 CCCCCNc1ccccc1 1P002U4M [1,1,0,0,0,0|1,0,1]=4 781 B12R1.8 CCCCCOc1ccccc1 1P00BVIQ [1,1,0,0,0,0|1,0,1]=4 782 B12R1.8 CCCCCSc1ccccc1 1P007S00 [1,1,0,0,0,0|1,0,1]=4 783 B12R1.8 CCCCNCc1ccccc1 1P003T8S [1,1,0,0,0,0|1,0,1]=4 784 B12R1.8 CCCNCCc1ccccc1 1P00BF9Y [1,1,0,0,0,0|1,0,1]=4 785 B12R1.8 CCNCCCc1ccccc1 1P009K28 [1,1,0,0,0,0|1,0,1]=4 786 B12R1.8 CCNCCOc1ccccc1 1P006PVR [1,1,0,0,0,0|1,0,1]=4 787 B12R1.8 CCOCCNc1ccccc1 1P02900G [1,1,0,0,0,0|0,0,1]=3 788 B12R1.8 CCOCCSc1ccccn1 1P01FF28 [1,1,0,0,0,0|1,0,1]=4 789 B12R1.8 CNCCCCc1ccccc1 1P00B8FJ [1,1,0,0,0,0|1,0,1]=4 790 B12R1.8 CNCCCCc1ccccc1 1P00D6N4 [1,1,0,0,0,0|1,0,1]=4 791 B12R1.8 CNCCCNc1ccccc1 1P01A8EZ [1,1,0,0,0,0|2,0,0]=4 792 B12R1.8 CNCCCOc1ccccc1 1P001156 [1,1,0,0,0,0|2,0,0]=4 793 B12R1.8 CNCCCSc1ccccc1 1P00J4FT [1,1,0,0,0,0|2,0,0]=4 794 B12R1.8 CNCCNCc1ccccc1 1P00EA7F [1,1,0,0,0,0|2,0,0]=4 795 B12R1.8 CNCCNCc1ccccc1 1P028WW3 [1,1,0,0,0,0|2,0,0]=4 796 B12R1.8 CNCCOCc1ccccc1 1P005XT2 [1,1,0,0,0,0|2,0,0]=4 797 B12R1.8 CNCCOCc1ccccc1 1P00FXY6 [1,1,0,0,0,0|2,0,0]=4 798 B12R1.8 COCCNCc1ccccc1 1P00DL1O [1,1,0,0,0,0|2,0,0]=4 799 B12R1.8 COCCNCc1ccccc1 1P01EJJB [1,1,0,0,0,0|2,0,0]=4 800 B12R1.8 ClCCCCCc1ccccc1 1P001PVB [1,1,0,0,0,0|1,0,1]=4 801 B12R1.8 NCCCCCc1ccccc1 1P0025Q4 [1,1,0,0,0,0|1,0,1]=4 802 B12R1.8 NCCCCCc1ccccc1 1P0289DF [1,1,0,0,0,0|1,0,1]=4 803 B12R1.8 NCCOCCc1ccccc1 1P0090YQ [1,1,0,0,0,0|0,0,1]=3 804 B12R1.8 O=C=NCCCc1ccccc1 1P003KCL [1,1,0,0,0,0|1,0,1]=4 805 B12R1.8 O=C=NCCOc1ccccc1 1P01AS0S [1,1,0,0,0,0|1,0,1]=4 806 B12R1.8 O=CCCCOc1ccccc1 1P002BM4 [1,1,0,0,0,0|1,0,0]=3 807 B12R1.8 O=CCCOCc1ccccc1 1P002BM5 [1,1,0,0,0,0|1,0,0]=3 808 B12R1.8 O=COC\C=C\c1ccccc1 1P007Y6B [1,1,0,0,0,0|0,0,1]=3 809 B12R1.8 OCC=CCCc1ccccc1 1P028X9L [1,1,0,0,0,0|1,0,0]=3 810 B12R1.8 OCCCCCc1ccccc1 1P003NF3 [1,1,0,0,0,0|1,0,1]=4 811 B12R1.8 OCCNCCc1ccccc1 1P00BW7K [1,1,0,0,0,0|1,0,1]=4 812 B12R1.8 OCCOCCc1ccccc1 1P005HXR [1,1,0,0,0,0|0,0,1]=3 813 B12R1.27 CCC(=O)CCc1ccccc1 1P002JUD [1,1,0,0,0,0|1,0,1]=4 814 B12R1.27 CCC(CCc1ccccc1)N 1P00EOLQ [1,1,0,0,0,0|1,0,1]=4 815 B12R1.27 CNC(=O)CCc1ccccc1 1P006T5B [1,1,0,0,0,0|2,0,0]=4 816 B12R1.27 COC(=O)CCc1ccccc1 1P003KCI [1,1,0,0,0,0|2,0,0]=4 817 B12R1.27 O=CC(CCc1ccccc1)C 1P00763O [1,1,0,0,0,0|1,0,0]=3 818 B12R1.27 O=C[C@@H](OCc1ccccc1)C 1P008MT7 [1,1,0,0,0,0|2,0,0]=4 819 B12R1.27 O=NN(CCc1ccccc1)C 1P0011B0 [1,1,0,0,0,0|2,0,0]=4 820 B12R1.28 CCCCCc1cccc(c1)F 1P002W83 [1,1,0,0,0,0|1,0,1]=4 821 B12R1.28 CCCCCc1cccc(c1)O 1P002DAK [1,1,0,0,0,0|1,0,1]=4 822 B12R1.28 CNCCCc1cccc(c1)Cl 1P01S7LU [1,1,0,0,0,0|2,0,0]=4 823 B12R1.28 O=C=NCCc1cccc(c1)Cl 1P003JRQ [1,1,0,0,0,0|1,0,1]=4 824 B12R1.28 O=CCCOc1cccc(c1)I 1P01ACTA [1,1,0,0,0,0|2,0,0]=4 825 B12R1.30 C=CCCC(c1ccccc1)N 1P01A1ZO [1,1,0,0,0,0|1,0,1]=4 826 B12R1.30 CCCCC(c1ccccc1)O 1P003R1N [1,1,0,0,0,0|1,0,1]=4 827 B12R1.30 CCCC[C@@H](c1ccccc1)N 1P01A60F [1,1,0,0,0,0|1,0,1]=4 828 B12R1.30 CCCC[C@@H](c1ccccc1)O 1P00CM66 [1,1,0,0,0,0|1,0,1]=4 829 B12R1.30 CCCC[C@H](c1ccccc1)N 1P01A60H [1,1,0,0,0,0|1,0,1]=4 830 B12R1.30 CCNCC(c1ccccc1)N 1P01A2CQ [1,1,0,0,0,0|1,0,1]=4 831 B12R1.30 CCOCC(c1ccccc1)N 1P01WZT9 [1,1,0,0,0,0|0,0,1]=3 832 B12R1.30 CNCCC(c1ccccc1)O 1P00346T [1,1,0,0,0,0|2,0,0]=4 833 B12R1.30 CNCC[C@@H](c1ccccc1)O 1P000B3I [1,1,0,0,0,0|2,0,0]=4 834 B12R1.30 CNCC[C@H](c1ccccc1)O 1P000H17 [1,1,0,0,0,0|2,0,0]=4 835 B12R1.30 COCCC(c1ccccc1)Cl 1P00DQG1 [1,1,0,0,0,0|2,0,0]=4 836 B12R1.30 COCCC(c1ccccc1)O 1P01A2S9 [1,1,0,0,0,0|2,0,0]=4 837 B12R1.30 COCC[C@H](c1ccccc1)N 1P028QNB [1,1,0,0,0,0|2,0,0]=4 838 B12R1.30 O=CNCC(=O)c1ccccc1 1P00FGWF [1,1,0,0,0,0|1,0,1]=4 839 B12R1.32 C=CCC(Cc1ccccc1)N 1P00COKP [1,1,0,0,0,0|1,0,1]=4 840 B12R1.32 C=CCC(Cc1ccccc1)O 1P01B84V [1,1,0,0,0,0|1,0,1]=4 841 B12R1.32 CC(Cc1ccccc1)N=C=O 1P019Z45 [1,1,0,0,0,0|1,0,1]=4 842 B12R1.32 CCCC(Cc1ccccc1)N 1P00F6WG [1,1,0,0,0,0|1,0,1]=4 843 B12R1.32 CCOC(=O)Cc1ccccc1 1P0003XD [1,1,0,0,0,0|0,0,2]=4 844 B12R1.32 CNCC(Cc1ccccc1)C 1P01DXOI [1,1,0,0,0,0|2,0,0]=4 845 B12R1.32 CNCC(Cc1ccccc1)N 1P01AJ49 [1,1,0,0,0,0|2,0,0]=4 846 B12R1.32 CNCC(Cc1ccccc1)O 1P01AM98 [1,1,0,0,0,0|2,0,0]=4 847 B12R1.32 COCC(Cc1ccccc1)N 1P00FVYM [1,1,0,0,0,0|2,0,0]=4 848 B12R1.32 COC[C@@H](Cc1ccccc1)N 1P00EM0S [1,1,0,0,0,0|2,0,0]=4 849 B12R1.32 COC[C@H](Cc1ccccc1)N 1P003CYU [1,1,0,0,0,0|2,0,0]=4 850 B12R1.32 COC[C@H](Cc1ccccc1)N 1P00F7SQ [1,1,0,0,0,0|2,0,0]=4 851 B12R1.267 C=CCCCc1ccccc1Br 1P01BZ3C [1,1,0,0,0,0|1,0,1]=4 852 B12R1.267 CCOCOc1ccccc1Br 1P01BDOI [1,1,0,0,0,0|1,0,1]=4 853 B12R1.267 CNCCCc1ccccc1Cl 1P01QTAS [1,1,0,0,0,0|2,0,0]=4 854 B12R1.267 O=C=NCCc1ccccc1Cl 1P01AJYH [1,1,0,0,0,0|1,0,1]=4 855 B12R1.267 O=C=NCCc1ccccc1F 1P003HSR [1,1,0,0,0,0|1,0,1]=4 856 B12R1.267 O=CCCCc1ccccc1Br 1P01RCJ6 [1,1,0,0,0,0|1,0,0]=3 857 B12R1.21 CC(=C)CNc1ccc(cc1)Cl 1P01A46F [0,1,0,0,1,0|2,0,0]=4 858 B12R1.21 CC(=C)COc1ccc(cc1)Br 1P01B1YY [0,1,0,0,1,0|2,0,0]=4 859 B12R1.21 CC(=C)COc1ccc(cc1)N 1P00GU9R [0,1,0,0,1,0|2,0,0]=4 860 B12R1.21 CC(=O)CCc1ccc(cc1)C 1P003KL3 [0,1,0,0,1,0|0,0,0]=2 861 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1P00C99Q [0,1,0,0,1,0|0,0,0]=2 862 B12R1.21 CC(=O)CCc1ccc(cc1)F 1P00VSVS [0,1,0,0,1,0|0,0,0]=2 863 B12R1.21 CC(=O)CCc1ccc(cc1)I 1P01BGX7 [0,1,0,0,1,0|0,0,0]=2 864 B12R1.21 CC(=O)CCc1ccc(cc1)O 1P003KKN [0,1,0,0,1,0|0,0,0]=2 865 B12R1.21 CC(=O)COc1ccc(cc1)Br 1P007SWC [0,1,0,0,1,0|1,0,0]=3 866 B12R1.21 CC(=O)CSc1ccc(cc1)C 1P000QJ1 [0,1,0,0,1,0|1,0,0]=3 867 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1P003CC2 [0,1,0,0,1,0|1,0,0]=3 868 B12R1.21 CC(=O)CSc1ccc(cc1)F 1P002ZJR [0,1,0,0,1,0|1,0,0]=3 869 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1P00H519 [0,1,0,0,1,0|1,0,0]=3 870 B12R1.21 CC(=O)NCc1ccc(cc1)F 1P004QJ2 [0,1,0,0,1,0|1,0,0]=3 871 B12R1.21 CC(=O)NCc1ccc(cc1)N 1P01AIH0 [0,1,0,0,1,0|1,0,0]=3 872 B12R1.21 CC(=O)NCc1ccc(cn1)Br 1P027U4J [0,1,0,0,1,0|2,0,0]=4 873 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 1P0021FN [0,1,0,0,1,0|2,0,0]=4 874 B12R1.21 CC(=O)NNc1ccc(cc1)Br 1P00B502 [0,1,0,0,1,0|2,0,0]=4 875 B12R1.21 CC(=O)NNc1ccc(cc1)F 1P01BY4U [0,1,0,0,1,0|2,0,0]=4 876 B12R1.21 CC(=O)OCc1ccc(cc1)C 1P003M83 [0,1,0,0,1,0|0,0,0]=2 877 B12R1.21 CC(=O)OCc1ccc(cc1)Cl 1P003LNI [0,1,0,0,1,0|0,0,0]=2 878 B12R1.21 CC(=O)OCc1ccc(cn1)O 1P028BI5 [0,1,0,0,1,0|1,0,0]=3 879 B12R1.21 CC(=O)\C=C\c1ccc(cc1)Br 1P00CMW7 [0,1,0,0,1,0|0,0,2]=4 880 B12R1.21 CC(=O)\C=C\c1ccc(cc1)Cl 1P003LNL [0,1,0,0,1,0|0,0,2]=4 881 B12R1.21 CC(=O)\C=C\c1ccc(cc1)O 1P003LZY [0,1,0,0,1,0|0,0,2]=4 882 B12R1.21 CC(CCc1ccc(cc1)Br)N 1P00HA0R [0,1,0,0,1,0|1,0,1]=4 883 B12R1.21 CC(CCc1ccc(cc1)C)N 1P019RJH [0,1,0,0,1,0|1,0,1]=4 884 B12R1.21 CC(CCc1ccc(cc1)I)N 1P01BHI1 [0,1,0,0,1,0|1,0,1]=4 885 B12R1.21 CC(CCc1ccc(cc1)N)C 1P01A84O [0,1,0,0,1,0|1,0,1]=4 886 B12R1.21 CC(CCc1ccc(cc1)O)N 1P019KP1 [0,1,0,0,1,0|1,0,1]=4 887 B12R1.21 CC(CCc1ccc(cc1)O)O 1P00FDS3 [0,1,0,0,1,0|0,0,2]=4 888 B12R1.21 CC(OCc1ccc(cc1)Br)C 1P0068SS [0,1,0,0,1,0|1,0,1]=4 889 B12R1.21 CC(OCc1ccc(cc1)N)C 1P019XSE [0,1,0,0,1,0|1,0,1]=4 890 B12R1.21 CN(CCc1ccc(cc1)Br)C 1P01C48K [0,1,0,0,1,0|2,0,0]=4 891 B12R1.21 CN(CCc1ccc(cc1)N)C 1P0037IS [0,1,0,0,1,0|2,0,0]=4 892 B12R1.21 CN(CCc1ccc(cc1)O)C 1P00DEP7 [0,1,0,0,1,0|2,0,0]=4 893 B12R1.21 CN(CCc1ccc(cc1)O)C 1P00EBQI [0,1,0,0,1,0|2,0,0]=4 894 B12R1.21 C[C@H](CCc1ccc(cc1)O)O 1P00DFZV [0,1,0,0,1,0|0,0,2]=4 895 B12R1.21 ClC(=O)CCc1ccc(cc1)Cl 1P00DNXA [0,1,0,0,1,0|1,0,0]=3 896 B12R1.21 ClC(=O)COc1ccc(cc1)C 1P001O5A [0,1,0,0,1,0|2,0,0]=4 897 B12R1.21 ClC(=O)COc1ccc(cc1)Cl 1P003LOG [0,1,0,0,1,0|2,0,0]=4 898 B12R1.21 ClC(=O)OCc1ccc(cc1)Br 1P00F0AY [0,1,0,0,1,0|1,0,0]=3 899 B12R1.21 ClC(=O)OCc1ccc(cc1)F 1P01BKOV [0,1,0,0,1,0|1,0,0]=3 900 B12R1.21 Fc1ccc(cc1)CCS(=O)[O-] 1P0292CY [0,1,0,0,1,0|2,0,0]=4 901 B12R1.21 NC(=N)CCc1ccc(cc1)Cl 1P004D2Q [0,1,0,0,1,0|2,0,0]=4 902 B12R1.21 NC(=N)CCc1ccc(cc1)Cl 1P01EM24 [0,1,0,0,1,0|2,0,0]=4 903 B12R1.21 NC(=O)CCc1ccc(cc1)Br 1P01EWZG [0,1,0,0,1,0|1,0,0]=3 904 B12R1.21 NC(=O)CCc1ccc(cc1)F 1P00BLKP [0,1,0,0,1,0|1,0,0]=3 905 B12R1.21 NC(=O)CCc1ccc(cc1)N 1P01AAT8 [0,1,0,0,1,0|1,0,0]=3 906 B12R1.21 NC(=O)CCc1ccc(cc1)O 1P007NI0 [0,1,0,0,1,0|1,0,0]=3 907 B12R1.21 NC(=O)CNc1ccc(cc1)Br 1P027YGG [0,1,0,0,1,0|2,0,0]=4 908 B12R1.21 NC(=O)CNc1ccc(cc1)F 1P004Y17 [0,1,0,0,1,0|2,0,0]=4 909 B12R1.21 NC(=O)COc1ccc(cc1)Br 1P00C8XG [0,1,0,0,1,0|2,0,0]=4 910 B12R1.21 NC(=O)COc1ccc(cc1)Cl 1P00CRWF [0,1,0,0,1,0|2,0,0]=4 911 B12R1.21 NC(=O)COc1ccc(cc1)N 1P00EAVN [0,1,0,0,1,0|2,0,0]=4 912 B12R1.21 NC(=O)COc1ccc(cc1)O 1P01AKK7 [0,1,0,0,1,0|2,0,0]=4 913 B12R1.21 NC(=O)NCc1ccc(cc1)C 1P00DD2R [0,1,0,0,1,0|2,0,0]=4 914 B12R1.21 NC(=O)NCc1ccc(cc1)N 1P00242D [0,1,0,0,1,0|2,0,0]=4 915 B12R1.21 OC(=O)CCc1ccc(=O)[nH]c1 1P01BEPD [0,1,0,0,1,0|2,0,0]=4 916 B12R1.21 OC(=O)CCc1ccc(=O)[nH]c1 1P01BG1F [0,1,0,0,1,0|2,0,0]=4 917 B12R1.21 OC(=O)CCc1ccc(=O)[nH]c1 1P01FKKI [0,1,0,0,1,0|2,0,0]=4 918 B12R1.21 OC(=O)CCc1ccc(cc1)Br 1P001V8C [0,1,0,0,1,0|1,0,0]=3 919 B12R1.21 OC(=O)CCc1ccc(cc1)C 1P001N4H [0,1,0,0,1,0|1,0,0]=3 920 B12R1.21 OC(=O)CCc1ccc(cc1)Cl 1P0039CX [0,1,0,0,1,0|1,0,0]=3 921 B12R1.21 OC(=O)CCc1ccc(cc1)F 1P0033X5 [0,1,0,0,1,0|1,0,0]=3 922 B12R1.21 OC(=O)CCc1ccc(cc1)I 1P001V8D [0,1,0,0,1,0|1,0,0]=3 923 B12R1.21 OC(=O)CCc1ccc(cc1)N 1P007OWB [0,1,0,0,1,0|1,0,0]=3 924 B12R1.21 OC(=O)CCc1ccc(cc1)N 1P01XLU7 [0,1,0,0,1,0|1,0,0]=3 925 B12R1.21 OC(=O)CCc1ccc(cc1)O 1P003IL8 [0,1,0,0,1,0|1,0,0]=3 926 B12R1.21 OC(=O)CCc1ccc(cc1)S 1P003M2K [0,1,0,0,1,0|1,0,0]=3 927 B12R1.21 OC(=O)CCc1ccc(cn1)Br 1P0094KV [0,1,0,0,1,0|2,0,0]=4 928 B12R1.21 OC(=O)CCc1ccc(cn1)F 1P028NJJ [0,1,0,0,1,0|2,0,0]=4 929 B12R1.21 OC(=O)CCc1ccc(cn1)N 1P01A6OD [0,1,0,0,1,0|2,0,0]=4 930 B12R1.21 OC(=O)CCc1ccc(nc1)C 1P00HEZW [0,1,0,0,1,0|2,0,0]=4 931 B12R1.21 OC(=O)CCc1ccc(nc1)C 1P0282DC [0,1,0,0,1,0|2,0,0]=4 932 B12R1.21 OC(=O)CCc1ccc(nc1)Cl 1P007878 [0,1,0,0,1,0|2,0,0]=4 933 B12R1.21 OC(=O)CCc1ccc(nc1)Cl 1P01A4AD [0,1,0,0,1,0|2,0,0]=4 934 B12R1.21 OC(=O)CCc1ccc(nc1)F 1P00IIRI [0,1,0,0,1,0|2,0,0]=4 935 B12R1.21 OC(=O)CCc1ccc(nc1)N 1P00396S [0,1,0,0,1,0|2,0,0]=4 936 B12R1.21 OC(=O)CNc1ccc(cc1)C 1P00BGWF [0,1,0,0,1,0|2,0,0]=4 937 B12R1.21 OC(=O)CNc1ccc(cc1)Cl 1P00DDBO [0,1,0,0,1,0|2,0,0]=4 938 B12R1.21 OC(=O)CNc1ccc(cc1)F 1P00C911 [0,1,0,0,1,0|2,0,0]=4 939 B12R1.21 OC(=O)CNc1ccc(cc1)O 1P00170H [0,1,0,0,1,0|2,0,0]=4 940 B12R1.21 OC(=O)COc1ccc(cc1)Br 1P002GZL [0,1,0,0,1,0|2,0,0]=4 941 B12R1.21 OC(=O)COc1ccc(cc1)C 1P003CD3 [0,1,0,0,1,0|2,0,0]=4 942 B12R1.21 OC(=O)COc1ccc(cc1)Cl 1P00170G [0,1,0,0,1,0|2,0,0]=4 943 B12R1.21 OC(=O)COc1ccc(cc1)F 1P003LWI [0,1,0,0,1,0|2,0,0]=4 944 B12R1.21 OC(=O)COc1ccc(cc1)I 1P002GZK [0,1,0,0,1,0|2,0,0]=4 945 B12R1.21 OC(=O)COc1ccc(cc1)N 1P001TCY [0,1,0,0,1,0|2,0,0]=4 946 B12R1.21 OC(=O)COc1ccc(cc1)N 1P007PL9 [0,1,0,0,1,0|2,0,0]=4 947 B12R1.21 OC(=O)COc1ccc(cc1)O 1P002GYE [0,1,0,0,1,0|2,0,0]=4 948 B12R1.21 OC(=O)CSc1ccc(cc1)Br 1P00CM5B [0,1,0,0,1,0|2,0,0]=4 949 B12R1.21 OC(=O)CSc1ccc(cc1)C 1P003M95 [0,1,0,0,1,0|2,0,0]=4 950 B12R1.21 OC(=O)CSc1ccc(cc1)Cl 1P003F54 [0,1,0,0,1,0|2,0,0]=4 951 B12R1.21 OC(=O)CSc1ccc(cc1)F 1P003CCK [0,1,0,0,1,0|2,0,0]=4 952 B12R1.21 OC(=O)CSc1ccc(cc1)N 1P003FBE [0,1,0,0,1,0|2,0,0]=4 953 B12R1.21 OC(=O)CSc1ccc(cc1)O 1P00D7Q2 [0,1,0,0,1,0|2,0,0]=4 954 B12R1.21 [O-]C(=O)COc1ccc(cc1)Cl 1P0013JC [0,1,0,0,1,0|2,0,0]=4 955 B12R1.21 [O-]C(=O)CSc1ccc(cc1)F 1P019O6J [0,1,0,0,1,0|2,0,0]=4 956 B12R1.43 BrC(C(=O)C)Cc1ccccc1 1P01BSOD [0,1,0,0,1,0|0,0,0]=2 957 B12R1.43 BrC(C(=O)Cl)Cc1ccccc1 1P00CNPL [0,1,0,0,1,0|1,0,0]=3 958 B12R1.43 BrC(C(=O)N)Cc1ccccc1 1P01A74E [0,1,0,0,1,0|1,0,0]=3 959 B12R1.43 BrC(C(=O)O)Cc1ccccc1 1P001VON [0,1,0,0,1,0|1,0,0]=3 960 B12R1.43 Br[C@@H](C(=O)O)Cc1ccccc1 1P0070OH [0,1,0,0,1,0|1,0,0]=3 961 B12R1.43 Br[C@H](C(=O)O)Cc1ccccc1 1P00I7EC [0,1,0,0,1,0|1,0,0]=3 962 B12R1.43 C=C(C(=O)O)Cc1ccccc1 1P0033LB [0,1,0,0,1,0|1,0,1]=4 963 B12R1.43 CC(=Cc1ccccc1)C(=O)C 1P002ET2 [0,1,0,0,1,0|0,0,2]=4 964 B12R1.43 CC(=O)N(Cc1cccnc1)C 1P0065KD [0,1,0,0,1,0|2,0,0]=4 965 B12R1.43 CC(C(=O)C)Cc1ccccc1 1P00C216 [0,1,0,0,1,0|0,0,0]=2 966 B12R1.43 CC(C(=O)Cl)Cc1ccccc1 1P01BCIQ [0,1,0,0,1,0|1,0,0]=3 967 B12R1.43 CC(C(=O)Cl)Oc1ccccc1 1P001704 [0,1,0,0,1,0|2,0,0]=4 968 B12R1.43 CC(C(=O)O)Cc1ccccc1 1P0003L8 [0,1,0,0,1,0|1,0,0]=3 969 B12R1.43 CC(C(=O)O)Cc1ccncc1 1P00CKM4 [0,1,0,0,1,0|2,0,0]=4 970 B12R1.43 CC(C(=O)O)Cc1ccncc1 1P028NU0 [0,1,0,0,1,0|2,0,0]=4 971 B12R1.43 CC(C(=O)O)Oc1ccccc1 1P003IBB [0,1,0,0,1,0|2,0,0]=4 972 B12R1.43 CC(C(=O)O)Sc1ccccc1 1P002029 [0,1,0,0,1,0|2,0,0]=4 973 B12R1.43 CN(C(=O)C)Cc1ccccc1 1P00BKNO [0,1,0,0,1,0|1,0,0]=3 974 B12R1.43 CN(C(=O)C)Nc1ccccc1 1P01HYFP [0,1,0,0,1,0|2,0,0]=4 975 B12R1.43 CN(C(=O)Cl)Cc1ccccc1 1P01AFOK [0,1,0,0,1,0|2,0,0]=4 976 B12R1.43 CN(C(=O)N)Cc1ccccc1 1P019V9I [0,1,0,0,1,0|2,0,0]=4 977 B12R1.43 C[C@@H](C(=O)O)Cc1ccccc1 1P01BBO7 [0,1,0,0,1,0|1,0,0]=3 978 B12R1.43 C[C@@H](C(=O)O)Cc1ccncc1 1P028ODP [0,1,0,0,1,0|2,0,0]=4 979 B12R1.43 C[C@@H](C(=O)O)Nc1ccccc1 1P001PT8 [0,1,0,0,1,0|2,0,0]=4 980 B12R1.43 C[C@@H](C(=O)O)Oc1ccccc1 1P002FKF [0,1,0,0,1,0|2,0,0]=4 981 B12R1.43 C[C@H](C(=O)O)Cc1ccccc1 1P01BBWK [0,1,0,0,1,0|1,0,0]=3 982 B12R1.43 C[C@H](C(=O)O)Cc1ccncc1 1P028NWN [0,1,0,0,1,0|2,0,0]=4 983 B12R1.43 C[C@H](C(=O)O)Oc1ccccc1 1P0078YZ [0,1,0,0,1,0|2,0,0]=4 984 B12R1.43 NC(=O)C(Cc1ccccn1)N 1P0285Z2 [0,1,0,0,1,0|2,0,0]=4 985 B12R1.43 NC(C(=O)C)Cc1ccccc1 1P00DCG6 [0,1,0,0,1,0|0,0,0]=2 986 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P007VAW [0,1,0,0,1,0|1,0,0]=3 987 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P00AD6I [0,1,0,0,1,0|1,0,0]=3 988 B12R1.43 NC(C(=O)O)Cc1ccccc1 1P003RTV [0,1,0,0,1,0|1,0,0]=3 989 B12R1.43 NC(C(=O)O)Cc1ccncc1 1P001TJN [0,1,0,0,1,0|2,0,0]=4 990 B12R1.43 NC(C(=O)O)Cc1ccncc1 1P0074OI [0,1,0,0,1,0|2,0,0]=4 991 B12R1.43 NC(C(=O)O)Cc1ccncc1 1P009BEZ [0,1,0,0,1,0|2,0,0]=4 992 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00D9FU [0,1,0,0,1,0|1,0,0]=3 993 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00FAPS [0,1,0,0,1,0|1,0,0]=3 994 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 1P00359U [0,1,0,0,1,0|1,0,0]=3 995 B12R1.43 N[C@@H](C(=O)O)Cc1ccncc1 1P003IM2 [0,1,0,0,1,0|2,0,0]=4 996 B12R1.43 N[C@@H](C(=O)O)Cc1ccncc1 1P00AP0A [0,1,0,0,1,0|2,0,0]=4 997 B12R1.43 N[C@H](C(=N)O)Cc1ccccc1 1P003D1I [0,1,0,0,1,0|1,0,1]=4 998 B12R1.43 N[C@H](C(=O)N)Cc1ccccc1 1P00IBZV [0,1,0,0,1,0|1,0,0]=3 999 B12R1.43 N[C@H](C(=O)O)C[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P00JOC8 [0,1,0,0,1,0|1,0,0]=3 1000 B12R1.43 N[C@H](C(=O)O)Cc1ccccc1 1P001MO4 [0,1,0,0,1,0|1,0,0]=3 1001 B12R1.43 N[C@H](C(=O)O)Cc1ccccc1 1P0021PS [0,1,0,0,1,0|1,0,0]=3 1002 B12R1.43 N[C@H](C(=O)O)Cc1ccncc1 1P0026YC [0,1,0,0,1,0|2,0,0]=4 1003 B12R1.43 N[C@H](C(=O)O)Cc1ccncc1 1P0032XI [0,1,0,0,1,0|2,0,0]=4 1004 B12R1.43 N[C@H](C(C)C)Cc1ccccc1 1P006XWD [0,1,0,0,1,0|1,0,1]=4 1005 B12R1.43 O=C(C(=O)O)Cc1ccccc1 1P001OVZ [0,1,0,0,1,0|1,0,1]=4 1006 B12R1.43 O=C(C(=O)[O-])Cc1ccccc1 1P000AQT [0,1,0,0,1,0|1,0,1]=4 1007 B12R1.43 O=C(C(=O)[O-])Cc1ccccc1 1P00175E [0,1,0,0,1,0|1,0,1]=4 1008 B12R1.43 O=C(C(=O)[O-])Cc1ccccc1 1P00I9QJ [0,1,0,0,1,0|1,0,1]=4 1009 B12R1.43 OC(=O)C(Cc1ccccn1)C 1P0005RH [0,1,0,0,1,0|2,0,0]=4 1010 B12R1.43 OC(=O)C(Cc1ccccn1)C 1P028B8G [0,1,0,0,1,0|2,0,0]=4 1011 B12R1.43 OC(=O)C(Cc1ccccn1)N 1P001ZWT [0,1,0,0,1,0|2,0,0]=4 1012 B12R1.43 OC(=O)C(Cc1ccccn1)N 1P019GDO [0,1,0,0,1,0|2,0,0]=4 1013 B12R1.43 OC(=O)C(Cc1ccccn1)O 1P028KW5 [0,1,0,0,1,0|2,0,0]=4 1014 B12R1.43 OC(=O)C(Cc1cccnc1)N 1P0020CV [0,1,0,0,1,0|2,0,0]=4 1015 B12R1.43 OC(=O)C(Cc1cccnc1)N 1P0092JB [0,1,0,0,1,0|2,0,0]=4 1016 B12R1.43 OC(=O)C(Cc1cccnc1)O 1P0045MJ [0,1,0,0,1,0|2,0,0]=4 1017 B12R1.43 OC(=O)[C@@H](Cc1ccccn1)N 1P003II4 [0,1,0,0,1,0|2,0,0]=4 1018 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)C 1P028PB3 [0,1,0,0,1,0|2,0,0]=4 1019 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N 1P003FB3 [0,1,0,0,1,0|2,0,0]=4 1020 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N 1P00I7EE [0,1,0,0,1,0|2,0,0]=4 1021 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N 1P00IICL [0,1,0,0,1,0|2,0,0]=4 1022 B12R1.43 OC(=O)[C@H](Cc1ccccn1)N 1P003BQR [0,1,0,0,1,0|2,0,0]=4 1023 B12R1.43 OC(=O)[C@H](Cc1cccnc1)C 1P028QM0 [0,1,0,0,1,0|2,0,0]=4 1024 B12R1.43 OC(=O)[C@H](Cc1cccnc1)N 1P003D1H [0,1,0,0,1,0|2,0,0]=4 1025 B12R1.43 OC(=O)[C@H](Cc1cccnc1)N 1P006B5E [0,1,0,0,1,0|2,0,0]=4 1026 B12R1.43 OC(C(=O)N)Cc1ccccc1 1P01ADOZ [0,1,0,0,1,0|1,0,0]=3 1027 B12R1.43 OC(C(=O)O)Cc1ccccc1 1P004TVQ [0,1,0,0,1,0|1,0,0]=3 1028 B12R1.43 OC(C(C)C)Cc1ccccc1 1P00FU0X [0,1,0,0,1,0|1,0,1]=4 1029 B12R1.43 OC(C(N)C)Cc1ccccc1 1P01A27Z [0,1,0,0,1,0|1,0,1]=4 1030 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 1P005FS8 [0,1,0,0,1,0|1,0,0]=3 1031 B12R1.43 O[C@H](C(=O)O)Cc1ccccc1 1P00735M [0,1,0,0,1,0|1,0,0]=3 1032 B12R1.43 SC(C(=O)O)Cc1ccccc1 1P00GU3B [0,1,0,0,1,0|1,0,0]=3 1033 B12R1.43 S[C@@H](C(=O)O)Cc1ccccc1 1P028TTD [0,1,0,0,1,0|1,0,0]=3 1034 B12R1.107 C=C(c1ccccc1)NC(=O)C 1P00F1Z1 [0,1,0,0,1,0|1,0,1]=4 1035 B12R1.107 CC(=O)CC(=O)c1ccccn1 1P00CHQ6 [0,1,0,0,1,0|1,0,1]=4 1036 B12R1.107 CC(=O)CC(=O)c1cccnc1 1P007DNH [0,1,0,0,1,0|1,0,1]=4 1037 B12R1.107 CC(c1ccccc1)CC(=O)O 1P003KCA [0,1,0,0,1,0|1,0,0]=3 1038 B12R1.107 CC(c1ccccc1)NC(=O)C 1P00I7M1 [0,1,0,0,1,0|1,0,0]=3 1039 B12R1.107 CC(c1ccccc1)NC(=O)N 1P00CN8F [0,1,0,0,1,0|2,0,0]=4 1040 B12R1.107 CC(c1ccccc1)OC(=O)C 1P00IHWT [0,1,0,0,1,0|0,0,0]=2 1041 B12R1.107 CC(c1ccncc1)CC(=O)O 1P00DE5H [0,1,0,0,1,0|2,0,0]=4 1042 B12R1.107 CC(c1ccncc1)CC(=O)O 1P01BVVQ [0,1,0,0,1,0|2,0,0]=4 1043 B12R1.107 CN(c1ccccc1)CC(=O)O 1P003A5H [0,1,0,0,1,0|2,0,0]=4 1044 B12R1.107 CN(c1ccccc1)CC(=O)O 1P0076QI [0,1,0,0,1,0|2,0,0]=4 1045 B12R1.107 C[C@@H](c1ccccc1)CC(=O)O 1P003CQF [0,1,0,0,1,0|1,0,0]=3 1046 B12R1.107 C[C@H](c1ccccc1)CC(=O)O 1P003D2T [0,1,0,0,1,0|1,0,0]=3 1047 B12R1.107 C[C@H](c1ccccc1)NC(=O)C 1P00BYH2 [0,1,0,0,1,0|1,0,0]=3 1048 B12R1.107 C[C@H](c1ccccc1)NC(=O)N 1P001YK1 [0,1,0,0,1,0|2,0,0]=4 1049 B12R1.107 NC(c1ccccc1)CC(=C)C 1P028TE7 [0,1,0,0,1,0|1,0,0]=3 1050 B12R1.107 NC(c1ccccc1)CC(=O)N 1P019X2N [0,1,0,0,1,0|1,0,0]=3 1051 B12R1.107 NC(c1ccccc1)CC(=O)O 1P003JBO [0,1,0,0,1,0|1,0,0]=3 1052 B12R1.107 NC(c1ccccc1)CC(=O)O 1P00DNX9 [0,1,0,0,1,0|1,0,0]=3 1053 B12R1.107 NC(c1ccccc1)CC(C)C 1P00C0WB [0,1,0,0,1,0|1,0,1]=4 1054 B12R1.107 NC(c1ccccc1)CC(C)C 1P019LPB [0,1,0,0,1,0|1,0,1]=4 1055 B12R1.107 NC(c1ccccc1)CN(C)C 1P00BZGW [0,1,0,0,1,0|2,0,0]=4 1056 B12R1.107 NC(c1ccccc1)CN(C)C 1P01ADDB [0,1,0,0,1,0|2,0,0]=4 1057 B12R1.107 NC(c1ccccc1)CS(=O)C 1P019S9W [0,1,0,0,1,0|1,0,0]=3 1058 B12R1.107 NC(c1ccncc1)CC(=O)O 1P00BZAE [0,1,0,0,1,0|2,0,0]=4 1059 B12R1.107 NC(c1ccncc1)CC(=O)O 1P01B5IG [0,1,0,0,1,0|2,0,0]=4 1060 B12R1.107 N[C@@H](c1ccccc1)CC(=O)O 1P0032VU [0,1,0,0,1,0|1,0,0]=3 1061 B12R1.107 N[C@@H](c1ccccc1)CC(=O)O 1P004U26 [0,1,0,0,1,0|1,0,0]=3 1062 B12R1.107 N[C@@H](c1ccccc1)CC(C)C 1P000T0X [0,1,0,0,1,0|1,0,1]=4 1063 B12R1.107 N[C@@H](c1ccccc1)CC(C)C 1P008YO7 [0,1,0,0,1,0|1,0,1]=4 1064 B12R1.107 N[C@@H](c1ccccc1)CN(C)C 1P003722 [0,1,0,0,1,0|2,0,0]=4 1065 B12R1.107 N[C@@H](c1ccccc1)CN(C)C 1P01BD0I [0,1,0,0,1,0|2,0,0]=4 1066 B12R1.107 N[C@H](c1ccccc1)CC(=O)O 1P003D2H [0,1,0,0,1,0|1,0,0]=3 1067 B12R1.107 N[C@H](c1ccccc1)CC(=O)O 1P008J3J [0,1,0,0,1,0|1,0,0]=3 1068 B12R1.107 N[C@H](c1ccccc1)CC(C)C 1P000WWO [0,1,0,0,1,0|1,0,1]=4 1069 B12R1.107 N[C@H](c1ccccc1)CC(C)C 1P008YO9 [0,1,0,0,1,0|1,0,1]=4 1070 B12R1.107 N[C@H](c1ccccc1)CN(C)C 1P00BASK [0,1,0,0,1,0|2,0,0]=4 1071 B12R1.107 O=C(c1ccccc1)CC(=O)C 1P003F29 [0,1,0,0,1,0|0,0,1]=3 1072 B12R1.107 O=C(c1ccccc1)CC(=O)[O-] 1P00FIFJ [0,1,0,0,1,0|1,0,1]=4 1073 B12R1.107 O=C(c1ccncc1)CC(=O)C 1P005S1N [0,1,0,0,1,0|1,0,1]=4 1074 B12R1.107 OC(=O)CC(c1ccccn1)C 1P00H5G0 [0,1,0,0,1,0|2,0,0]=4 1075 B12R1.107 OC(=O)CC(c1ccccn1)N 1P01A2VT [0,1,0,0,1,0|2,0,0]=4 1076 B12R1.107 OC(=O)CC(c1cccnc1)C 1P01AJ2C [0,1,0,0,1,0|2,0,0]=4 1077 B12R1.107 OC(=O)CC(c1cccnc1)N 1P0032W9 [0,1,0,0,1,0|2,0,0]=4 1078 B12R1.107 OC(=O)C[C@@H](c1cccnc1)N 1P00810F [0,1,0,0,1,0|2,0,0]=4 1079 B12R1.107 OC(=O)C[C@H](c1ccccn1)N 1P024G2A [0,1,0,0,1,0|2,0,0]=4 1080 B12R1.107 OC(=O)C[C@H](c1cccnc1)N 1P001O1I [0,1,0,0,1,0|2,0,0]=4 1081 B12R1.107 OC(c1ccccc1)CC(=O)O 1P00C7L2 [0,1,0,0,1,0|1,0,0]=3 1082 B12R1.107 OC(c1ccccc1)CC(N)C 1P01A046 [0,1,0,0,1,0|1,0,1]=4 1083 B12R1.107 O[C@@H](c1ccccc1)CC(=O)O 1P002UVZ [0,1,0,0,1,0|1,0,0]=3 1084 B12R1.107 O[C@@H](c1ccccc1)CN(C)C 1P028DPC [0,1,0,0,1,0|2,0,0]=4 1085 B12R1.107 O[C@H](c1ccccc1)CC(=O)O 1P003D2M [0,1,0,0,1,0|1,0,0]=3 1086 B12R1.125 CC(=C)COc1ccccc1Br 1P00061Q [0,1,0,0,1,0|2,0,0]=4 1087 B12R1.125 CC(=C)COc1ccccc1N 1P00DDN9 [0,1,0,0,1,0|2,0,0]=4 1088 B12R1.125 CC(=C)COc1ccccc1N 1P00J245 [0,1,0,0,1,0|2,0,0]=4 1089 B12R1.125 CC(=O)CCc1ccccc1Cl 1P01HUV1 [0,1,0,0,1,0|0,0,0]=2 1090 B12R1.125 CC(=O)CCc1ccccc1F 1P01AIYU [0,1,0,0,1,0|0,0,0]=2 1091 B12R1.125 CC(=O)NCc1ccccc1Br 1P008QXJ [0,1,0,0,1,0|1,0,0]=3 1092 B12R1.125 CC(=O)NCc1ccccc1Cl 1P00EMME [0,1,0,0,1,0|1,0,0]=3 1093 B12R1.125 CC(=O)NCc1ccccc1N 1P028LKH [0,1,0,0,1,0|1,0,0]=3 1094 B12R1.125 CC(=O)NCc1ccccc1O 1P008NEH [0,1,0,0,1,0|1,0,0]=3 1095 B12R1.125 CC(=O)NNc1ccccc1F 1P01EKID [0,1,0,0,1,0|2,0,0]=4 1096 B12R1.125 CC(CCc1ccccc1F)N 1P01DXR6 [0,1,0,0,1,0|1,0,1]=4 1097 B12R1.125 CC(CCc1ccccc1N)C 1P01A88D [0,1,0,0,1,0|1,0,1]=4 1098 B12R1.125 CC(OCc1ccccc1N)C 1P019ZZ9 [0,1,0,0,1,0|1,0,1]=4 1099 B12R1.125 CN(CCc1ccccc1N)C 1P007CA9 [0,1,0,0,1,0|2,0,0]=4 1100 B12R1.125 Cc1ccncc1CCC(=O)O 1P000ZN8 [0,1,0,0,1,0|2,0,0]=4 1101 B12R1.125 Cc1ncccc1CCC(=O)O 1P00ICJI [0,1,0,0,1,0|2,0,0]=4 1102 B12R1.125 Cc1ncccc1CCC(=O)O 1P0281ED [0,1,0,0,1,0|2,0,0]=4 1103 B12R1.125 ClC(=O)CCc1ccccc1Br 1P01EZGG [0,1,0,0,1,0|1,0,0]=3 1104 B12R1.125 ClC(=O)OCc1ccccc1Cl 1P003HIJ [0,1,0,0,1,0|1,0,0]=3 1105 B12R1.125 ClC(=O)OCc1ccccc1F 1P01B3WB [0,1,0,0,1,0|1,0,0]=3 1106 B12R1.125 NC(=O)CCc1ccccc1N 1P01BVV9 [0,1,0,0,1,0|1,0,0]=3 1107 B12R1.125 NC(=O)CCc1ccccc1O 1P007P5E [0,1,0,0,1,0|1,0,0]=3 1108 B12R1.125 NC(=O)CNc1ccccc1Br 1P027XV8 [0,1,0,0,1,0|2,0,0]=4 1109 B12R1.125 NC(=O)COc1ccccc1C 1P00BXOH [0,1,0,0,1,0|2,0,0]=4 1110 B12R1.125 NC(=O)COc1ccccc1Cl 1P003F81 [0,1,0,0,1,0|2,0,0]=4 1111 B12R1.125 NC(=O)COc1ccccc1O 1P00C69V [0,1,0,0,1,0|2,0,0]=4 1112 B12R1.125 NC(=O)CSc1ccccc1N 1P019OTG [0,1,0,0,1,0|2,0,0]=4 1113 B12R1.125 NC(=O)NCc1ccccc1Cl 1P00ISCK [0,1,0,0,1,0|2,0,0]=4 1114 B12R1.125 NC(=O)NCc1ccccc1F 1P01AB49 [0,1,0,0,1,0|2,0,0]=4 1115 B12R1.125 OC(=O)CCc1ccccc1Br 1P001NLG [0,1,0,0,1,0|1,0,0]=3 1116 B12R1.125 OC(=O)CCc1ccccc1C 1P003BQQ [0,1,0,0,1,0|1,0,0]=3 1117 B12R1.125 OC(=O)CCc1ccccc1Cl 1P001V8E [0,1,0,0,1,0|1,0,0]=3 1118 B12R1.125 OC(=O)CCc1ccccc1F 1P001V8F [0,1,0,0,1,0|1,0,0]=3 1119 B12R1.125 OC(=O)CCc1ccccc1I 1P00IKAW [0,1,0,0,1,0|1,0,0]=3 1120 B12R1.125 OC(=O)CCc1ccccc1O 1P003IHI [0,1,0,0,1,0|1,0,0]=3 1121 B12R1.125 OC(=O)CCc1cccnc1Cl 1P01B612 [0,1,0,0,1,0|2,0,0]=4 1122 B12R1.125 OC(=O)CCc1cccnc1F 1P00IIRH [0,1,0,0,1,0|2,0,0]=4 1123 B12R1.125 OC(=O)CCc1ccncc1C 1P00HBM0 [0,1,0,0,1,0|2,0,0]=4 1124 B12R1.125 OC(=O)CCc1ccncc1F 1P0201YO [0,1,0,0,1,0|2,0,0]=4 1125 B12R1.125 OC(=O)CCc1ncccc1C 1P00ICJG [0,1,0,0,1,0|2,0,0]=4 1126 B12R1.125 OC(=O)CCn1ccccc1=O 1P00FFU4 [0,1,0,0,1,0|2,0,0]=4 1127 B12R1.125 OC(=O)CNc1ccccc1Cl 1P00FHKA [0,1,0,0,1,0|2,0,0]=4 1128 B12R1.125 OC(=O)CNc1ccccc1F 1P00D9L6 [0,1,0,0,1,0|2,0,0]=4 1129 B12R1.125 OC(=O)COc1ccccc1Br 1P002H0V [0,1,0,0,1,0|2,0,0]=4 1130 B12R1.125 OC(=O)COc1ccccc1C 1P002GYV [0,1,0,0,1,0|2,0,0]=4 1131 B12R1.125 OC(=O)COc1ccccc1F 1P003C3Z [0,1,0,0,1,0|2,0,0]=4 1132 B12R1.125 OC(=O)COc1ccccc1O 1P003HWK [0,1,0,0,1,0|2,0,0]=4 1133 B12R1.125 OC(=O)CSc1ccccc1Br 1P01DUSN [0,1,0,0,1,0|2,0,0]=4 1134 B12R1.125 OC(=O)CSc1ccccc1C 1P00ADC0 [0,1,0,0,1,0|2,0,0]=4 1135 B12R1.125 OC(=O)CSc1ccccc1Cl 1P00ALGW [0,1,0,0,1,0|2,0,0]=4 1136 B12R1.125 OC(=O)CSc1ccccc1F 1P005UWQ [0,1,0,0,1,0|2,0,0]=4 1137 B12R1.125 OC(=O)CSc1ccccc1O 1P00536S [0,1,0,0,1,0|2,0,0]=4 1138 B12R1.125 [O-]C(=O)CCc1ccccc1N 1P01JMCU [0,1,0,0,1,0|1,0,0]=3 1139 B12R1.226 CC(=C)COc1cccc(c1)Br 1P01EMHA [0,1,0,0,1,0|2,0,0]=4 1140 B12R1.226 CC(=C)COc1cccc(c1)N 1P0082V8 [0,1,0,0,1,0|2,0,0]=4 1141 B12R1.226 CC(=C)COc1cccc(c1)N 1P0090ZE [0,1,0,0,1,0|2,0,0]=4 1142 B12R1.226 CC(=CCc1cccc(c1)O)C 1P01B6LC [0,1,0,0,1,0|1,0,1]=4 1143 B12R1.226 CC(=O)CCc1cccc(c1)Br 1P00BZYR [0,1,0,0,1,0|0,0,0]=2 1144 B12R1.226 CC(=O)CCc1cccc(c1)C 1P019X4A [0,1,0,0,1,0|0,0,0]=2 1145 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1P007GH3 [0,1,0,0,1,0|0,0,0]=2 1146 B12R1.226 CC(=O)CCc1cccc(c1)F 1P00C98G [0,1,0,0,1,0|0,0,0]=2 1147 B12R1.226 CC(=O)NCc1cc(Br)ccn1 1P021MOH [0,1,0,0,1,0|2,0,0]=4 1148 B12R1.226 CC(=O)NCc1cccc(c1)Br 1P00C6B3 [0,1,0,0,1,0|1,0,0]=3 1149 B12R1.226 CC(=O)NCc1cccc(c1)F 1P009811 [0,1,0,0,1,0|1,0,0]=3 1150 B12R1.226 CC(=O)NCc1cccc(c1)N 1P028Q3L [0,1,0,0,1,0|1,0,0]=3 1151 B12R1.226 CC(=O)OCc1cccc(c1)F 1P0202B9 [0,1,0,0,1,0|0,0,0]=2 1152 B12R1.226 CC(=O)\C=C\c1cccc(c1)Br 1P006TTF [0,1,0,0,1,0|0,0,2]=4 1153 B12R1.226 CC(CCc1cccc(c1)F)N 1P01AJAJ [0,1,0,0,1,0|1,0,1]=4 1154 B12R1.226 CC(CCc1cccc(c1)N)C 1P01BWBA [0,1,0,0,1,0|1,0,1]=4 1155 B12R1.226 CC(OCc1cccc(c1)Br)C 1P009YXT [0,1,0,0,1,0|1,0,1]=4 1156 B12R1.226 CC(OCc1cccc(c1)N)C 1P00VUZP [0,1,0,0,1,0|1,0,1]=4 1157 B12R1.226 CN(CCc1cccc(c1)Br)C 1P00G8UW [0,1,0,0,1,0|2,0,0]=4 1158 B12R1.226 CN(CCc1cccc(c1)N)C 1P02497N [0,1,0,0,1,0|2,0,0]=4 1159 B12R1.226 Cc1cc(CCC(=O)O)ncc1 1P00HA8Z [0,1,0,0,1,0|2,0,0]=4 1160 B12R1.226 Cc1cccc(n1)CCC(=O)O 1P00G80C [0,1,0,0,1,0|2,0,0]=4 1161 B12R1.226 ClC(=O)COc1cccc(c1)F 1P00IMRM [0,1,0,0,1,0|2,0,0]=4 1162 B12R1.226 ClC(=O)OCc1cccc(c1)Cl 1P01AM7P [0,1,0,0,1,0|1,0,0]=3 1163 B12R1.226 NC(=O)CCc1cccc(c1)Br 1P00ELSV [0,1,0,0,1,0|1,0,0]=3 1164 B12R1.226 NC(=O)CCc1cncc(c1)C 1P028WSI [0,1,0,0,1,0|2,0,0]=4 1165 B12R1.226 NC(=O)CNc1cccc(c1)F 1P0292E1 [0,1,0,0,1,0|2,0,0]=4 1166 B12R1.226 NC(=O)COc1cccc(c1)Br 1P00C2B9 [0,1,0,0,1,0|2,0,0]=4 1167 B12R1.226 NC(=O)COc1cccc(c1)C 1P0001MA [0,1,0,0,1,0|2,0,0]=4 1168 B12R1.226 NC(=O)COc1cccc(c1)N 1P019L2R [0,1,0,0,1,0|2,0,0]=4 1169 B12R1.226 NC(=O)COc1cccc(c1)O 1P01A2YY [0,1,0,0,1,0|2,0,0]=4 1170 B12R1.226 NC(=O)NCc1cccc(c1)F 1P00J78M [0,1,0,0,1,0|2,0,0]=4 1171 B12R1.226 NC(=S)CCc1cccc(c1)Cl 1P0292N4 [0,1,0,0,1,0|1,1,0]=4 1172 B12R1.226 OC(=O)CCc1cc(F)ccn1 1P00I1SJ [0,1,0,0,1,0|2,0,0]=4 1173 B12R1.226 OC(=O)CCc1cccc(=O)[nH]1 1P028QAQ [0,1,0,0,1,0|2,0,0]=4 1174 B12R1.226 OC(=O)CCc1cccc(c1)Br 1P003IIS [0,1,0,0,1,0|1,0,0]=3 1175 B12R1.226 OC(=O)CCc1cccc(c1)C 1P00C6WI [0,1,0,0,1,0|1,0,0]=3 1176 B12R1.226 OC(=O)CCc1cccc(c1)Cl 1P0039CK [0,1,0,0,1,0|1,0,0]=3 1177 B12R1.226 OC(=O)CCc1cccc(c1)F 1P003BQS [0,1,0,0,1,0|1,0,0]=3 1178 B12R1.226 OC(=O)CCc1cccc(c1)I 1P0038YH [0,1,0,0,1,0|1,0,0]=3 1179 B12R1.226 OC(=O)CCc1cccc(c1)N 1P001X6K [0,1,0,0,1,0|1,0,0]=3 1180 B12R1.226 OC(=O)CCc1cccc(c1)N 1P008VYA [0,1,0,0,1,0|1,0,0]=3 1181 B12R1.226 OC(=O)CCc1cccc(c1)O 1P0033X1 [0,1,0,0,1,0|1,0,0]=3 1182 B12R1.226 OC(=O)CCc1ccnc(c1)Br 1P020LCI [0,1,0,0,1,0|2,0,0]=4 1183 B12R1.226 OC(=O)CCc1ccnc(c1)C 1P002TL0 [0,1,0,0,1,0|2,0,0]=4 1184 B12R1.226 OC(=O)CCc1ccnc(c1)Cl 1P02900N [0,1,0,0,1,0|2,0,0]=4 1185 B12R1.226 OC(=O)CCc1cncc(c1)Br 1P0007EH [0,1,0,0,1,0|2,0,0]=4 1186 B12R1.226 OC(=O)CCc1cncc(c1)Br 1P01A527 [0,1,0,0,1,0|2,0,0]=4 1187 B12R1.226 OC(=O)CCc1cncc(c1)C 1P00HIV3 [0,1,0,0,1,0|2,0,0]=4 1188 B12R1.226 OC(=O)CCc1cncc(c1)F 1P01A4ZW [0,1,0,0,1,0|2,0,0]=4 1189 B12R1.226 OC(=O)CCc1cncc(c1)O 1P01A7FZ [0,1,0,0,1,0|2,0,0]=4 1190 B12R1.226 OC(=O)CNc1cccc(c1)Cl 1P0007W7 [0,1,0,0,1,0|2,0,0]=4 1191 B12R1.226 OC(=O)COc1cccc(c1)Br 1P0027QK [0,1,0,0,1,0|2,0,0]=4 1192 B12R1.226 OC(=O)COc1cccc(c1)C 1P001V8J [0,1,0,0,1,0|2,0,0]=4 1193 B12R1.226 OC(=O)COc1cccc(c1)Cl 1P003C8L [0,1,0,0,1,0|2,0,0]=4 1194 B12R1.226 OC(=O)COc1cccc(c1)F 1P003C91 [0,1,0,0,1,0|2,0,0]=4 1195 B12R1.226 OC(=O)COc1cccc(c1)I 1P00B463 [0,1,0,0,1,0|2,0,0]=4 1196 B12R1.226 OC(=O)COc1cccc(c1)N 1P00EC9G [0,1,0,0,1,0|2,0,0]=4 1197 B12R1.226 OC(=O)COc1cccc(c1)O 1P002GYF [0,1,0,0,1,0|2,0,0]=4 1198 B12R1.226 OC(=O)CSc1cccc(c1)Br 1P00CRD4 [0,1,0,0,1,0|2,0,0]=4 1199 B12R1.226 OC(=O)CSc1cccc(c1)C 1P00D0KB [0,1,0,0,1,0|2,0,0]=4 1200 B12R1.226 OC(=O)CSc1cccc(c1)Cl 1P00CIHP [0,1,0,0,1,0|2,0,0]=4 1201 B12R1.226 OC(=O)CSc1cccc(c1)F 1P00CZNX [0,1,0,0,1,0|2,0,0]=4 1202 B12R1.891 CC(CCc1ccccc1)(N)C 1P01AACF [0,1,0,0,1,0|1,0,1]=4 1203 B12R1.891 CC(CCc1ccccc1)(O)C 1P003I40 [0,1,0,0,1,0|0,0,2]=4 1204 B12R1.891 CS(=O)(=O)NCc1ccccc1 1P00JJR7 [0,1,0,0,1,0|2,0,0]=4 1205 B12R1.891 CS(=O)(=O)OCc1ccccc1 1P01C4RT [0,1,0,0,1,0|1,0,0]=3 1206 B12R1.891 C[Si](OCc1ccccc1)(C)C 1P001EH3 [0,1,0,0,1,0|1,1,0]=4 1207 B12R1.891 ClS(=O)(=O)CCc1ccccc1 1P007497 [0,1,0,0,1,0|2,0,0]=4 1208 B12R1.891 FS(=O)(=O)CCc1ccccc1 1P01ALG4 [0,1,0,0,1,0|2,0,0]=4 1209 B12R1.891 NS(=O)(=O)CCc1ccccc1 1P01A8RG [0,1,0,0,1,0|2,0,0]=4 1210 B12R1.891 NS(=O)(=O)OCc1ccccc1 1P028CWY [0,1,0,0,1,0|2,0,0]=4 1211 B12R1.891 OP(=O)(CCc1ccccc1)O 1P003IC5 [0,1,0,0,1,0|2,0,0]=4 1212 B12R1.891 OP(=O)(OCc1ccccc1)O 1P01NJ4M [0,1,0,0,1,0|2,0,0]=4 1213 B12R1.891 [O-]S(=O)(=O)CCc1ccccc1 1P01G4LQ [0,1,0,0,1,0|2,0,0]=4 1214 B12R1.105 CC(=O)OCCn1cc(cn1)Br 1P00HGQH [0,1,0,0,1,0|2,0,0]=4 1215 B12R1.130 CC(=O)OCCc1scnc1C 1P00IBYX [0,1,0,0,1,0|2,0,0]=4 1216 B12R1.477 COC(=O)CCCc1cccs1 1P002K37 [0,1,0,0,1,0|2,0,0]=4 1217 B12R1.477 COC(=O)CCCn1cccc1 1P002A5E [0,1,0,0,1,0|2,0,0]=4 1218 B12R1.477 ClCC(=O)NCCc1cccs1 1P007O0A [0,1,0,0,1,0|2,0,0]=4 1219 B12R1.477 ClCC(=O)NCCc1cscc1 1P019W4Z [0,1,0,0,1,0|2,0,0]=4 1220 B14R1.148 CC(=O)OCCCc1cccc(c1)N 1P01A6V9 [0,1,0,0,0,1|0,0,0]=2 1221 B14R1.148 OC(=O)CCCCc1cccc(c1)Br 1P004YQU [0,1,0,0,0,1|2,0,0]=4 1222 B14R1.148 OC(=O)CCCCc1cccc(c1)O 1P00BJ4X [0,1,0,0,0,1|2,0,0]=4 1223 B14R1.148 OC(=O)CCCOc1cccc(c1)Br 1P019I7M [0,1,0,0,0,1|2,0,0]=4 1224 B14R1.148 OC(=O)CCCOc1cccc(c1)C 1P006ZXN [0,1,0,0,0,1|2,0,0]=4 1225 B14R1.148 OC(=O)CCCOc1cccc(c1)F 1P008E8U [0,1,0,0,0,1|2,0,0]=4 1226 B14R1.148 OC(=O)CCNCc1cccc(c1)C 1P019NV4 [0,1,0,0,0,1|2,0,0]=4 1227 B14R1.148 OC(=O)CCNCc1cccc(c1)Cl 1P019VNF [0,1,0,0,0,1|2,0,0]=4 1228 B14R1.148 OC(=O)CCNCc1cccc(c1)F 1P01ACOD [0,1,0,0,0,1|2,0,0]=4 1229 B14R1.148 OC(=O)COCCc1cccc(c1)F 1P01C5TE [0,1,0,0,0,1|1,0,0]=3 1230 B14R1.159 OC(=O)CCCCc1ccccc1O 1P0289HA [0,1,0,0,0,1|2,0,0]=4 1231 B14R1.159 OC(=O)CCCOc1ccccc1Br 1P019V2Q [0,1,0,0,0,1|2,0,0]=4 1232 B14R1.159 OC(=O)CCCOc1ccccc1C 1P006WQX [0,1,0,0,0,1|2,0,0]=4 1233 B14R1.159 OC(=O)CCCOc1ccccc1Cl 1P01A8K5 [0,1,0,0,0,1|2,0,0]=4 1234 B14R1.159 OC(=O)CCCOc1ccccc1F 1P00BHHF [0,1,0,0,0,1|2,0,0]=4 1235 B14R1.159 OC(=O)CCNCc1ccccc1Cl 1P019VG1 [0,1,0,0,0,1|2,0,0]=4 1236 B14R1.420 C1(=CC=CC=C1)C(CCCC(=O)O)=C 1P01JJ9T [0,1,0,0,0,1|2,0,0]=4 1237 B14R1.420 CC(c1ccccc1)CCCC(=O)O 1P028YI2 [0,1,0,0,0,1|2,0,0]=4 1238 B14R1.420 CC(c1ccccc1)CCNC(=O)N 1P01A60A [0,1,0,0,0,1|2,0,0]=4 1239 B14R1.420 CC(c1ccccc1)COCC(=O)O 1P01C5V9 [0,1,0,0,0,1|1,0,0]=3 1240 B14R1.420 NC(c1ccccc1)CCCC(=O)O 1P028KBS [0,1,0,0,0,1|2,0,0]=4 1241 B14R1.420 N[C@@H](c1ccccc1)CCCC(=O)O 1P00231H [0,1,0,0,0,1|2,0,0]=4 1242 B14R1.420 O=C(c1ccccc1)CCCC(=O)O 1P001MSV [0,1,0,0,0,1|2,0,0]=4 1243 B14R1.420 O=C(c1ccccc1)CCOC(=O)C 1P0061PC [0,1,0,0,0,1|0,0,0]=2 1244 B14R1.420 OC(c1ccccc1)CCCC(=O)[O-] 1P01C3NU [0,1,0,0,0,1|2,0,0]=4 1245 B14R1.423 CN(Cc1ccccc1)CCC(=O)C 1P001X4G [0,1,0,0,0,1|1,0,0]=3 1246 B14R1.423 CN(Cc1ccccc1)CCC(=O)O 1P003J8P [0,1,0,0,0,1|2,0,0]=4 1247 B14R1.423 NC(Cc1ccccc1)CCC(=O)O 1P01A65K [0,1,0,0,0,1|2,0,0]=4 1248 B14R1.423 O=C(Cc1ccccc1)CCC(=O)O 1P01E4LI [0,1,0,0,0,1|2,0,0]=4 1249 B14R1.677 CC(=CCNCc1ccc(cc1)Cl)C 1P01B8JZ [0,1,0,0,0,1|2,0,0]=4 1250 B14R1.677 CC(=O)NCCNc1ccc(cn1)Br 1P01B879 [0,1,0,0,0,1|2,0,0]=4 1251 B14R1.677 CC(=O)NCCOc1ccc(cc1)N 1P00JI17 [0,1,0,0,0,1|1,0,0]=3 1252 B14R1.677 CC(=O)NCCSc1ccc(cc1)O 1P0039KY [0,1,0,0,0,1|1,0,0]=3 1253 B14R1.677 ClC(=O)OCCOc1ccc(cc1)Br 1P027YJ6 [0,1,0,0,0,1|1,0,0]=3 1254 B14R1.677 NC(=O)CCCCc1ccc(cc1)F 1P01AD9J [0,1,0,0,0,1|2,0,0]=4 1255 B14R1.677 NC(=O)CCCOc1ccc(cc1)F 1P01AARE [0,1,0,0,0,1|2,0,0]=4 1256 B14R1.677 OC(=O)CCCCc1ccc(cc1)Br 1P00BH4G [0,1,0,0,0,1|2,0,0]=4 1257 B14R1.677 OC(=O)CCCCc1ccc(cc1)C 1P008OUH [0,1,0,0,0,1|2,0,0]=4 1258 B14R1.677 OC(=O)CCCCc1ccc(cc1)Cl 1P00ASJO [0,1,0,0,0,1|2,0,0]=4 1259 B14R1.677 OC(=O)CCCCc1ccc(cc1)F 1P002ORB [0,1,0,0,0,1|2,0,0]=4 1260 B14R1.677 OC(=O)CCCCc1ccc(cc1)I 1P01A9Y9 [0,1,0,0,0,1|2,0,0]=4 1261 B14R1.677 OC(=O)CCCCc1ccc(cc1)O 1P003MMQ [0,1,0,0,0,1|2,0,0]=4 1262 B14R1.677 OC(=O)CCCNc1ccc(cc1)I 1P01AKC1 [0,1,0,0,0,1|2,0,0]=4 1263 B14R1.677 OC(=O)CCCNc1ccc(cc1)N 1P01AK6Q [0,1,0,0,0,1|2,0,0]=4 1264 B14R1.677 OC(=O)CCCOc1ccc(cc1)Br 1P00DIZ2 [0,1,0,0,0,1|2,0,0]=4 1265 B14R1.677 OC(=O)CCCOc1ccc(cc1)C 1P006ZXM [0,1,0,0,0,1|2,0,0]=4 1266 B14R1.677 OC(=O)CCCOc1ccc(cc1)Cl 1P00BZGL [0,1,0,0,0,1|2,0,0]=4 1267 B14R1.677 OC(=O)CCCOc1ccc(cc1)F 1P001NXQ [0,1,0,0,0,1|2,0,0]=4 1268 B14R1.677 OC(=O)CCCOc1ccc(cc1)I 1P019X7O [0,1,0,0,0,1|2,0,0]=4 1269 B14R1.677 OC(=O)CCCSc1ccc(cc1)Br 1P01AH6F [0,1,0,0,0,1|2,0,0]=4 1270 B14R1.677 OC(=O)CCCSc1ccc(cc1)C 1P002HFB [0,1,0,0,0,1|2,0,0]=4 1271 B14R1.677 OC(=O)CCCSc1ccc(cc1)Cl 1P002Y3I [0,1,0,0,0,1|2,0,0]=4 1272 B14R1.677 OC(=O)CCNCc1ccc(cc1)Cl 1P019VF0 [0,1,0,0,0,1|2,0,0]=4 1273 B14R1.677 OC(=O)CCNCc1ccc(cc1)F 1P019VGO [0,1,0,0,0,1|2,0,0]=4 1274 B14R1.677 OC(=O)CCSCc1ccc(cc1)C 1P0054YS [0,1,0,0,0,1|2,0,0]=4 1275 B14R1.677 OC(=O)CCSCc1ccc(cc1)F 1P006Y9Z [0,1,0,0,0,1|2,0,0]=4 1276 B14R1.677 OC(=O)COCCc1ccc(cc1)Br 1P01E9I7 [0,1,0,0,0,1|1,0,0]=3 1277 B14R1.716 C=CC(=O)OCCOc1ccccc1 1P00DE77 [0,1,0,0,0,1|0,0,1]=3 1278 B14R1.716 C=CC(=O)OCCSc1ccccc1 1P01EEVA [0,1,0,0,0,1|0,0,1]=3 1279 B14R1.716 CCC(=O)OC\C=C\c1ccccc1 1P003PDL [0,1,0,0,0,1|0,0,1]=3 1280 B14R1.716 COC(=O)CCCCc1ccccc1 1P002B1L [0,1,0,0,0,1|1,0,0]=3 1281 B14R1.716 COC(=O)CCCSc1ccccc1 1P002Y3H [0,1,0,0,0,1|1,0,0]=3 1282 B14R1.716 COC(=O)CCNCc1ccccc1 1P002O60 [0,1,0,0,0,1|1,0,0]=3 1283 B14R1.716 COC(=O)CCNCc1ccccc1 1P00BLDW [0,1,0,0,0,1|1,0,0]=3 1284 B14R1.716 COC(=O)CCNCc1cccnc1 1P01A02N [0,1,0,0,0,1|2,0,0]=4 1285 B14R1.716 COC(=O)CCNCc1ccncc1 1P019ZHV [0,1,0,0,0,1|2,0,0]=4 1286 B14R1.716 COC(=O)CCOCc1ccccc1 1P00CJ99 [0,1,0,0,0,1|1,0,0]=3 1287 B14R1.716 COC(=O)CNCCc1ccccc1 1P01A5G2 [0,1,0,0,0,1|1,0,0]=3 1288 B14R1.716 COC(=O)OCC=Cc1ccccc1 1P004IL4 [0,1,0,0,0,1|0,0,1]=3 1289 B14R1.716 ClCC(=O)NCC#Cc1ccccc1 1P019L9X [0,1,0,0,0,1|1,0,1]=4 1290 B14R1.716 ClCC(=O)NCCCc1ccccc1 1P00ER44 [0,1,0,0,0,1|1,0,0]=3 1291 B14R1.716 ClCC(=O)NCCOc1ccccc1 1P00GT74 [0,1,0,0,0,1|1,0,0]=3 1292 B14R1.716 ClCC(=O)NCCSc1ccccc1 1P019OS9 [0,1,0,0,0,1|1,0,0]=3 1293 B14R1.716 ClCC(=O)NC\C=C\c1ccccc1 1P01EME1 [0,1,0,0,0,1|1,0,1]=4 1294 B14R1.716 NNC(=O)CCOCc1ccccc1 1P01DWUQ [0,1,0,0,0,1|2,0,0]=4 1295 B14R1.818 CC(CC(=O)O)CCc1ccccc1 1P01A85K [0,1,0,0,0,1|2,0,0]=4 1296 B14R1.818 CN(CC(=O)O)CCc1ccccc1 1P01BVJN [0,1,0,0,0,1|2,0,0]=4 1297 B14R1.818 NC(CC(=O)O)CCc1ccccc1 1P00GT1H [0,1,0,0,0,1|2,0,0]=4 1298 B14R1.818 N[C@@H](CC(=O)O)CCc1ccccc1 1P001F6V [0,1,0,0,0,1|2,0,0]=4 1299 B14R1.818 N[C@@H](CC(=O)O)CCc1ccccc1 1P00CMOX [0,1,0,0,0,1|2,0,0]=4 1300 B14R1.818 N[C@H](CC(=O)O)CCc1ccccc1 1P00I4P3 [0,1,0,0,0,1|2,0,0]=4 1301 B14R1.818 O=C(CC(=O)C)NCc1ccccc1 1P003T88 [0,1,0,0,0,1|1,0,1]=4 1302 B14R1.818 O=C(CC(=O)C)OCc1ccccc1 1P003OKK [0,1,0,0,0,1|1,0,1]=4 1303 B14R1.6449 C=C(C(=O)O)COCc1ccccc1 1P0282CL [0,1,0,0,0,1|2,0,0]=4 1304 B14R1.6449 CC(=C)C(=O)NCCc1ccccc1 1P01DUTM [0,1,0,0,0,1|2,0,0]=4 1305 B14R1.6449 CC(=C)C(=O)OCCc1ccccc1 1P01FNTC [0,1,0,0,0,1|1,0,0]=3 1306 B14R1.6449 CC(C(=O)O)CCOc1ccccc1 1P019TJN [0,1,0,0,0,1|2,0,0]=4 1307 B14R1.6449 CC(C(=O)O)CNCc1ccccc1 1P019UB8 [0,1,0,0,0,1|2,0,0]=4 1308 B14R1.6449 CC(C(=O)O)COCc1ccccc1 1P019XXR [0,1,0,0,0,1|2,0,0]=4 1309 B14R1.6449 CC(C(=O)O)CSCc1ccccc1 1P0083WX [0,1,0,0,0,1|2,0,0]=4 1310 B14R1.6449 ClC(C(=O)O)COCc1ccccc1 1P01PYY2 [0,1,0,0,0,1|2,0,0]=4 1311 B14R1.6449 NC(C(=O)O)CCSc1ccccc1 1P01BCRF [0,1,0,0,0,1|2,0,0]=4 1312 B14R1.6449 NC(C(=O)O)CNCc1ccccc1 1P01BGUT [0,1,0,0,0,1|2,0,0]=4 1313 B14R1.6449 NC(C(=O)O)COCc1ccccc1 1P00DEP9 [0,1,0,0,0,1|2,0,0]=4 1314 B14R1.6449 N[C@@H](C(=O)O)CCOc1ccccc1 1P01B7RN [0,1,0,0,0,1|2,0,0]=4 1315 B14R1.6449 N[C@@H](C(=O)O)CCOc1ccccc1 1P01B7RO [0,1,0,0,0,1|2,0,0]=4 1316 B14R1.6449 N[C@@H](C(=O)O)COCc1ccccc1 1P007YLV [0,1,0,0,0,1|2,0,0]=4 1317 B14R1.6449 N[C@@H](C(=O)O)COCc1ccccc1 1P009DP0 [0,1,0,0,0,1|2,0,0]=4 1318 B14R1.6449 N[C@@H](C(=O)O)CSCc1ccccc1 1P002MF9 [0,1,0,0,0,1|2,0,0]=4 1319 B14R1.6449 N[C@H](C(=O)O)CCOc1ccccc1 1P01B761 [0,1,0,0,0,1|2,0,0]=4 1320 B14R1.6449 N[C@H](C(=O)O)COCc1ccccc1 1P005X8X [0,1,0,0,0,1|2,0,0]=4 1321 B14R1.6449 N[C@H](C(=O)O)COCc1ccccc1 1P00D8X0 [0,1,0,0,0,1|2,0,0]=4 1322 B14R1.6449 N[C@H](C(=O)O)CSCc1ccccc1 1P0030YO [0,1,0,0,0,1|2,0,0]=4 1323 B14R1.6449 O=C(C(C)C)OCCc1ccccc1 1P00864M [0,1,0,0,0,1|1,0,1]=4 1324 B14R1.6449 OC(=O)C(CCCc1ccccc1)C 1P01A566 [0,1,0,0,0,1|2,0,0]=4 1325 B14R1.6449 OC(=O)C(CCCc1ccccc1)N 1P002A24 [0,1,0,0,0,1|2,0,0]=4 1326 B14R1.6449 OC(=O)C(CCCc1ccccc1)N 1P01AHR1 [0,1,0,0,0,1|2,0,0]=4 1327 B14R1.6449 OC(=O)C(CCCc1ccccc1)N 1P027TRR [0,1,0,0,0,1|2,0,0]=4 1328 B14R1.6449 OC(=O)C(CCCc1ccccc1)O 1P01DJ2I [0,1,0,0,0,1|2,0,0]=4 1329 B14R1.6449 OC(=O)C(OCCc1ccccc1)C 1P01APJW [0,1,0,0,0,1|1,0,0]=3 1330 B14R1.6449 OC(=O)[C@@H](CCCc1ccccc1)N 1P00C7KE [0,1,0,0,0,1|2,0,0]=4 1331 B14R1.6449 OC(=O)[C@H](CCCc1ccccc1)N 1P00E9LS [0,1,0,0,0,1|2,0,0]=4 1332 B14R1.6449 OC(C(=O)O)COCc1ccccc1 1P01DEAP [0,1,0,0,0,1|2,0,0]=4 1333 B14R1.6449 O[C@H](C(=O)O)COCc1ccccc1 1P000XUJ [0,1,0,0,0,1|2,0,0]=4 1334 B14R1.149 CC(OCC(c1cccc(c1)F)O)C 1P01AC9E [0,2,0,0,0,0|1,0,1]=4 1335 B14R1.149 OC(=O)CCC(c1cccc(c1)Cl)N 1P027L5W [0,2,0,0,0,0|2,0,0]=4 1336 B14R1.160 CC(=O)ONC(=O)c1ccccc1O 1P002CV3 [0,2,0,0,0,0|1,0,1]=4 1337 B14R1.160 CC(=O)O\N=C(/c1ccccc1O)\C 1P00DFJR [0,2,0,0,0,0|1,0,1]=4 1338 B14R1.160 NC(=O)OCC(c1ccccc1Cl)O 1P007565 [0,2,0,0,0,0|1,0,0]=3 1339 B14R1.163 BrCC(=O)NCC(=O)c1ccccc1 1P01P49L [0,2,0,0,0,0|1,0,1]=4 1340 B14R1.163 CNC(=O)CCC(c1ccccc1)N 1P0293Q0 [0,2,0,0,0,0|1,0,0]=3 1341 B14R1.163 COC(=O)CCC(=O)c1ccccc1 1P003S7Z [0,2,0,0,0,0|1,0,1]=4 1342 B14R1.163 COC(=O)CCC(c1ccccc1)N 1P01ABNG [0,2,0,0,0,0|1,0,0]=3 1343 B14R1.163 ClCC(=O)NCC(=O)c1ccccc1 1P01A9YR [0,2,0,0,0,0|1,0,1]=4 1344 B14R1.163 ClCC(=O)NCC(c1ccccc1)C 1P007ZUX [0,2,0,0,0,0|1,0,0]=3 1345 B14R1.415 CC(c1ccccc1)CC(C(=O)O)N 1P01FIUT [0,2,0,0,0,0|2,0,0]=4 1346 B14R1.417 OC(C(=O)c1ccccc1)NC(=O)C 1P01ADHM [0,2,0,0,0,0|1,0,1]=4 1347 B14R1.540 COC(c1ccccc1)CSC(=O)C 1P028II1 [0,2,0,0,0,0|0,1,0]=3 1348 B14R1.540 N#CC(c1ccccc1)CC=C(C)C 1P0286S8 [0,2,0,0,0,0|2,0,0]=4 1349 B14R1.540 OCC(c1ccccc1)COC(=O)N 1P007NKV [0,2,0,0,0,0|1,0,0]=3 1350 B14R1.678 CC(=O)OCC(=O)c1ccc(cn1)Cl 1P01B221 [0,2,0,0,0,0|1,0,1]=4 1351 B14R1.678 CC(c1ccc(cc1)Br)CCC(=O)O 1P01ELQC [0,2,0,0,0,0|2,0,0]=4 1352 B14R1.678 NC(c1ccc(cc1)C)CCC(=O)O 1P00230X [0,2,0,0,0,0|2,0,0]=4 1353 B14R1.678 O=C(c1ccc(cc1)Br)COC(=O)C 1P005FGA [0,2,0,0,0,0|0,0,1]=3 1354 B14R1.813 OC(=O)CCC(c1ccccc1)(C)C 1P00VSVK [0,2,0,0,0,0|2,0,0]=4 1355 B14R1.813 OC(=O)CCC(c1ccccc1)(F)F 1P028OVJ [0,2,0,0,0,0|2,0,0]=4 1356 B14R1.76 COc1cccc(c1)CCCC(=O)O 1P01A31N [0,2,0,0,0,0|2,0,0]=4 1357 B14R1.687 CC(=O)NCCc1ccc(c(c1)O)O 1P00C4EC [0,2,0,0,0,0|1,0,0]=3 1358 B14R1.687 CC(=O)OCCc1ccc(c(c1)O)O 1P006EAF [0,2,0,0,0,0|0,0,0]=2 1359 B14R1.687 OC(=O)CCCc1ccc(c(c1)C)C 1P00VSVH [0,2,0,0,0,0|2,0,0]=4 1360 B14R1.687 OC(=O)CCCc1ccc(c(c1)C)F 1P00C942 [0,2,0,0,0,0|2,0,0]=4 1361 B14R1.687 OC(=O)CCCc1ccc(c(c1)C)O 1P0075FE [0,2,0,0,0,0|2,0,0]=4 1362 B14R1.687 OC(=O)CCCc1ccc(c(c1)Cl)Cl 1P002R53 [0,2,0,0,0,0|2,0,0]=4 1363 B14R1.687 OC(=O)CCCc1ccc(c(c1)F)F 1P0080M1 [0,2,0,0,0,0|2,0,0]=4 1364 B14R1.687 OC(=O)CCCc1ccc(c(c1)F)O 1P01B23J [0,2,0,0,0,0|2,0,0]=4 1365 B14R1.1025 COC(=O)CCNc1cccc(c1)F 1P01ALAQ [0,2,0,0,0,0|2,0,0]=4 1366 B14R1.1025 COC(=O)CCSc1cccc(c1)N 1P01A35Y [0,2,0,0,0,0|2,0,0]=4 1367 B14R1.1025 COC(=O)CNCc1cccc(c1)Br 1P01BDBU [0,2,0,0,0,0|2,0,0]=4 1368 B14R1.1025 COC(=O)CNCc1cccc(c1)F 1P019X46 [0,2,0,0,0,0|2,0,0]=4 1369 B14R1.1025 COC(=O)CNCc1cccc(c1)F 1P01A7WI [0,2,0,0,0,0|2,0,0]=4 1370 B14R1.1025 COC(=O)CSCc1cccc(c1)N 1P01AB4X [0,2,0,0,0,0|2,0,0]=4 1371 B14R1.1025 ClCC(=O)NCCc1cccc(c1)Cl 1P00C92Q [0,2,0,0,0,0|1,0,0]=3 1372 B14R1.5956 OC(=O)C(CCc1cccc(c1)F)C 1P019SC2 [0,2,0,0,0,0|2,0,0]=4 1373 B14R1.5956 OC(=O)[C@@H](CCc1cccc(c1)C)N 1P01JN8L [0,2,0,0,0,0|2,0,0]=4 1374 B14R1.5956 OC(=O)[C@@H](CCc1cccc(c1)Cl)N 1P01JNA9 [0,2,0,0,0,0|2,0,0]=4 1375 B14R1.5956 OC(=O)[C@@H](CCc1cccc(c1)F)N 1P01JN8Q [0,2,0,0,0,0|2,0,0]=4 1376 B14R1.5956 OC(=O)[C@H](CCc1cccc(c1)Cl)N 1P01JN96 [0,2,0,0,0,0|2,0,0]=4 1377 B14R1.5956 OC(=O)[C@H](CCc1cccc(c1)F)N 1P01JN6D [0,2,0,0,0,0|2,0,0]=4 1378 B14R1.5978 CC(Cc1cccc(c1)F)CC(=O)O 1P019TR7 [0,2,0,0,0,0|2,0,0]=4 1379 B14R1.5978 NC(Cc1cccc(c1)C)CC(=O)O 1P006IOJ [0,2,0,0,0,0|2,0,0]=4 1380 B14R1.5978 N[C@@H](Cc1cccc(c1)Br)CC(=O)O 1P02843J [0,2,0,0,0,0|2,0,0]=4 1381 B14R1.5978 N[C@@H](Cc1cccc(c1)C)CC(=O)O 1P00BCHN [0,2,0,0,0,0|2,0,0]=4 1382 B14R1.5978 N[C@@H](Cc1cccc(c1)Cl)CC(=O)O 1P00BDLI [0,2,0,0,0,0|2,0,0]=4 1383 B14R1.5978 N[C@@H](Cc1cccc(c1)Cl)CC(=O)O 1P00CM3P [0,2,0,0,0,0|2,0,0]=4 1384 B14R1.5978 N[C@@H](Cc1cccc(c1)F)CC(=O)O 1P00BCHM [0,2,0,0,0,0|2,0,0]=4 1385 B14R1.5978 N[C@H](Cc1cccc(c1)Br)CC(=O)O 1P001UDY [0,2,0,0,0,0|2,0,0]=4 1386 B14R1.5978 N[C@H](Cc1cccc(c1)C)CC(=O)O 1P007MSG [0,2,0,0,0,0|2,0,0]=4 1387 B14R1.5978 N[C@H](Cc1cccc(c1)Cl)CC(=O)O 1P00I6WC [0,2,0,0,0,0|2,0,0]=4 1388 B14R1.5978 N[C@H](Cc1cccc(c1)F)CC(=O)O 1P00I6WF [0,2,0,0,0,0|2,0,0]=4 1389 B14R1.6072 Cc1ccc(cc1CCCC(=O)O)C 1P001L8P [0,2,0,0,0,0|2,0,0]=4 1390 B14R1.6072 OC(=O)CCCc1cc(F)ccc1F 1P01A3K6 [0,2,0,0,0,0|2,0,0]=4 1391 B14R1.6072 OC(=O)CCCc1cc(O)ccc1C 1P028JSM [0,2,0,0,0,0|2,0,0]=4 1392 B14R1.96 COc1ccccc1CCCC(=O)O 1P00D1KD [0,2,0,0,0,0|2,0,0]=4 1393 B14R1.161 OC(=O)C(=O)CCc1ccccc1Cl 1P028ZFM [0,2,0,0,0,0|2,0,0]=4 1394 B14R1.161 OC(=O)C(CCc1ccccc1Cl)N 1P000NSH [0,2,0,0,0,0|2,0,0]=4 1395 B14R1.161 OC(=O)C(CCc1ccccc1F)C 1P01AJPX [0,2,0,0,0,0|2,0,0]=4 1396 B14R1.161 OC(=O)C(CCc1ccccc1O)N 1P01DV2K [0,2,0,0,0,0|2,0,0]=4 1397 B14R1.161 OC(=O)[C@@H](CCc1ccccc1C)N 1P01JN9N [0,2,0,0,0,0|2,0,0]=4 1398 B14R1.161 OC(=O)[C@H](CCc1ccccc1C)N 1P01JN9G [0,2,0,0,0,0|2,0,0]=4 1399 B14R1.161 OC(=O)[C@H](CCc1ccccc1Cl)N 1P01JNA0 [0,2,0,0,0,0|2,0,0]=4 1400 B14R1.161 OC(=O)[C@H](CCc1ccccc1F)N 1P01JN77 [0,2,0,0,0,0|2,0,0]=4 1401 B14R1.242 Clc1ccccc1CCOS(=O)(=O)C 1P00I8GD [0,2,0,0,0,0|1,0,0]=3 1402 B14R1.337 N[C@@H](Cc1ccccc1Br)CC(=O)O 1P00I8DO [0,2,0,0,0,0|2,0,0]=4 1403 B14R1.337 N[C@@H](Cc1ccccc1C)CC(=O)O 1P00BG46 [0,2,0,0,0,0|2,0,0]=4 1404 B14R1.337 N[C@@H](Cc1ccccc1F)CC(=O)O 1P002PHM [0,2,0,0,0,0|2,0,0]=4 1405 B14R1.337 N[C@H](Cc1ccccc1Br)CC(=O)O 1P00I8CQ [0,2,0,0,0,0|2,0,0]=4 1406 B14R1.337 N[C@H](Cc1ccccc1C)CC(=O)O 1P00I5KB [0,2,0,0,0,0|2,0,0]=4 1407 B14R1.337 N[C@H](Cc1ccccc1Cl)CC(=O)O 1P003CQ8 [0,2,0,0,0,0|2,0,0]=4 1408 B14R1.337 N[C@H](Cc1ccccc1F)CC(=O)O 1P00I6WE [0,2,0,0,0,0|2,0,0]=4 1409 B14R1.837 COC(=O)CCCc1ccccc1O 1P01FT19 [0,2,0,0,0,0|1,0,0]=3 1410 B14R1.837 COC(=O)CCNc1ccccc1C 1P01ACA7 [0,2,0,0,0,0|2,0,0]=4 1411 B14R1.837 COC(=O)CCOc1ccccc1N 1P019SJH [0,2,0,0,0,0|2,0,0]=4 1412 B14R1.837 COC(=O)CNCc1ccccc1C 1P019XB0 [0,2,0,0,0,0|2,0,0]=4 1413 B14R1.837 COC(=O)CNCc1ccccc1Cl 1P019W0B [0,2,0,0,0,0|2,0,0]=4 1414 B14R1.837 ClCC(=O)NCCc1ccccc1C 1P007L9E [0,2,0,0,0,0|1,0,0]=3 1415 B14R1.837 ClCC(=O)NCCc1ccccc1F 1P007ZUY [0,2,0,0,0,0|1,0,0]=3 1416 B14R1.4464 OC(=O)CCCc1ccc(cc1Cl)Cl 1P01JMMG [0,2,0,0,0,0|2,0,0]=4 1417 B14R1.4920 OC(=O)CCCc1c(F)cccc1F 1P01B2WE [0,2,0,0,0,0|2,0,0]=4 1418 B14R1.425 CC(C(=O)C(=O)O)Cc1ccccc1 1P00551V [0,2,0,0,0,0|2,0,0]=4 1419 B14R1.425 CC(N(C(=O)C)C)Cc1ccccc1 1P002V66 [0,2,0,0,0,0|1,0,0]=3 1420 B14R1.425 NC(C(C(=O)N)O)Cc1ccccc1 1P01BY3R [0,2,0,0,0,0|2,0,0]=4 1421 B14R1.425 NC(C(C(=O)N)O)Cc1ccccc1 1P01BY4O [0,2,0,0,0,0|2,0,0]=4 1422 B14R1.425 N[C@@H]([C@@H](C(=O)N)O)Cc1ccccc1 1P028YAG [0,2,0,0,0,0|2,0,0]=4 1423 B14R1.425 N[C@@H]([C@@H](C(=O)O)O)Cc1ccccc1 1P000YCQ [0,2,0,0,0,0|2,0,0]=4 1424 B14R1.425 N[C@@H]([C@@H](C(=O)O)O)Cc1ccccc1 1P00EB5Q [0,2,0,0,0,0|2,0,0]=4 1425 B14R1.425 N[C@H](C(C(=O)O)O)Cc1ccccc1 1P0285Q6 [0,2,0,0,0,0|2,0,0]=4 1426 B14R1.425 N[C@H]([C@@H](C(=O)O)O)Cc1ccccc1 1P00E94Y [0,2,0,0,0,0|2,0,0]=4 1427 B14R1.425 N[C@H]([C@H](C(=O)O)O)Cc1ccccc1 1P00EJ28 [0,2,0,0,0,0|2,0,0]=4 1428 B14R1.425 OC(C(C(=O)O)N)Cc1ccccc1 1P01BFMB [0,2,0,0,0,0|2,0,0]=4 1429 B14R1.549 CCC(Cc1ccccc1)CC(=O)O 1P01E7HJ [0,2,0,0,0,0|2,0,0]=4 1430 B14R1.549 CNC(Cc1ccccc1)CC(=O)O 1P01BBA3 [0,2,0,0,0,0|2,0,0]=4 1431 B14R1.549 CN[C@@H](Cc1ccccc1)CC(=O)O 1P028ROS [0,2,0,0,0,0|2,0,0]=4 1432 B14R1.549 NCC(Cc1ccccc1)CC(=O)O 1P01B2XR [0,2,0,0,0,0|2,0,0]=4 1433 B14R1.549 OC[C@H](Cc1ccccc1)NC(=O)C 1P01ENI2 [0,2,0,0,0,0|1,0,0]=3 1434 B14R1.698 CC(Cc1ccc(cc1)Cl)CC(=O)O 1P01A4UQ [0,2,0,0,0,0|2,0,0]=4 1435 B14R1.698 NC(Cc1ccc(cc1)F)CC(=O)O 1P005XVC [0,2,0,0,0,0|2,0,0]=4 1436 B14R1.698 NC(Cc1ccc(cc1)O)CC(=O)O 1P00IMR1 [0,2,0,0,0,0|2,0,0]=4 1437 B14R1.698 N[C@@H](Cc1ccc(cc1)Br)CC(=O)O 1P00BFY4 [0,2,0,0,0,0|2,0,0]=4 1438 B14R1.698 N[C@@H](Cc1ccc(cc1)C)CC(=O)O 1P00BEBQ [0,2,0,0,0,0|2,0,0]=4 1439 B14R1.698 N[C@@H](Cc1ccc(cc1)Cl)CC(=O)O 1P00BCHK [0,2,0,0,0,0|2,0,0]=4 1440 B14R1.698 N[C@@H](Cc1ccc(cc1)F)CC(=O)O 1P00BCHI [0,2,0,0,0,0|2,0,0]=4 1441 B14R1.698 N[C@@H](Cc1ccc(cc1)I)CC(=O)O 1P007MNJ [0,2,0,0,0,0|2,0,0]=4 1442 B14R1.698 N[C@@H](Cc1ccc(cc1)O)CC(=O)O 1P00C8A4 [0,2,0,0,0,0|2,0,0]=4 1443 B14R1.698 N[C@H](Cc1ccc(cc1)Br)CC(=O)O 1P00I6WH [0,2,0,0,0,0|2,0,0]=4 1444 B14R1.698 N[C@H](Cc1ccc(cc1)C)CC(=O)O 1P00261M [0,2,0,0,0,0|2,0,0]=4 1445 B14R1.698 N[C@H](Cc1ccc(cc1)C)CC(=O)O 1P00CMPE [0,2,0,0,0,0|2,0,0]=4 1446 B14R1.698 N[C@H](Cc1ccc(cc1)Cl)CC(=O)O 1P005PK5 [0,2,0,0,0,0|2,0,0]=4 1447 B14R1.698 N[C@H](Cc1ccc(cc1)Cl)CC(=O)O 1P00I6WD [0,2,0,0,0,0|2,0,0]=4 1448 B14R1.698 N[C@H](Cc1ccc(cc1)F)CC(=O)O 1P00I6WG [0,2,0,0,0,0|2,0,0]=4 1449 B14R1.698 N[C@H](Cc1ccc(cc1)I)CC(=O)O 1P00I5K7 [0,2,0,0,0,0|2,0,0]=4 1450 B14R1.743 CNC(=O)C[C@H](Cc1ccccc1)N 1P027TPK [0,2,0,0,0,0|1,0,0]=3 1451 B14R1.743 COC(=O)CC(=O)Cc1ccccc1 1P003S9X [0,2,0,0,0,0|1,0,1]=4 1452 B14R1.743 COC(=O)CC(Cc1ccccc1)N 1P0001JS [0,2,0,0,0,0|1,0,0]=3 1453 B14R1.743 COC(=O)C[C@@H](Cc1ccccc1)N 1P00I0CZ [0,2,0,0,0,0|1,0,0]=3 1454 B14R1.743 COC(=O)C[C@H](Cc1ccccc1)N 1P00I27Z [0,2,0,0,0,0|1,0,0]=3 1455 B14R1.743 COC(=O)NC(Cc1ccccc1)C 1P01AV9V [0,2,0,0,0,0|1,0,0]=3 1456 B14R1.743 ClCC(=O)NC(=O)Cc1ccccc1 1P00DIW8 [0,2,0,0,0,0|1,0,1]=4 1457 B14R1.1485 CC(=O)CC(Nc1ccccc1)(C)C 1P004EIS [0,2,0,0,0,0|2,0,0]=4 1458 B14R1.1485 CC(=O)OC(Cc1ccccc1)(C)C 1P001NGS [0,2,0,0,0,0|0,0,0]=2 1459 B14R1.1485 OC(=O)CC(Cc1ccccc1)(C)C 1P01G4KY [0,2,0,0,0,0|2,0,0]=4 1460 B14R1.1485 OC(=O)CC(Cc1ccccc1)(F)F 1P0292QZ [0,2,0,0,0,0|2,0,0]=4 1461 B14R1.679 CC(C(=O)O)CCc1ccc(cc1)F 1P01C0I1 [0,2,0,0,0,0|2,0,0]=4 1462 B14R1.679 NC(C(=O)O)CCc1ccc(cc1)Br 1P01JKSA [0,2,0,0,0,0|2,0,0]=4 1463 B14R1.679 NC(C(=O)O)CCc1ccc(cc1)Br 1P028EOB [0,2,0,0,0,0|2,0,0]=4 1464 B14R1.679 NC(C(=O)O)CCc1ccc(cc1)Cl 1P01JKRN [0,2,0,0,0,0|2,0,0]=4 1465 B14R1.679 NC(C(=O)O)CCc1ccc(cc1)F 1P01B9DB [0,2,0,0,0,0|2,0,0]=4 1466 B14R1.679 N[C@@H](C(=O)O)CCc1ccc(cc1)Br 1P01JN8R [0,2,0,0,0,0|2,0,0]=4 1467 B14R1.679 N[C@@H](C(=O)O)CCc1ccc(cc1)C 1P01JNAX [0,2,0,0,0,0|2,0,0]=4 1468 B14R1.679 N[C@@H](C(=O)O)CCc1ccc(cc1)F 1P01JN6O [0,2,0,0,0,0|2,0,0]=4 1469 B14R1.679 N[C@H](C(=O)O)CCc1ccc(cc1)Br 1P01EB83 [0,2,0,0,0,0|2,0,0]=4 1470 B14R1.679 N[C@H](C(=O)O)CCc1ccc(cc1)C 1P01JNCB [0,2,0,0,0,0|2,0,0]=4 1471 B14R1.679 N[C@H](C(=O)O)CCc1ccc(cc1)Cl 1P01JNBE [0,2,0,0,0,0|2,0,0]=4 1472 B14R1.679 N[C@H](C(=O)O)CCc1ccc(cc1)F 1P01JN6V [0,2,0,0,0,0|2,0,0]=4 1473 B14R1.679 O=C(C(=O)O)CCc1ccc(cc1)Cl 1P028KNL [0,2,0,0,0,0|2,0,0]=4 1474 B14R1.679 OC(=O)[C@@H](CCc1ccc(cc1)O)N 1P00AQ5W [0,2,0,0,0,0|2,0,0]=4 1475 B14R1.679 OC(=O)[C@@H](CCc1ccc(cc1)O)N 1P01EC6W [0,2,0,0,0,0|2,0,0]=4 1476 B14R1.679 OC(=O)[C@H](CCc1ccc(cc1)O)N 1P001HST [0,2,0,0,0,0|2,0,0]=4 1477 B14R1.679 OC(=O)[C@H](CCc1ccc(cc1)O)N 1P00I4TC [0,2,0,0,0,0|2,0,0]=4 1478 B14R1.756 C=CC(=O)N(CCc1ccccc1)C 1P028WGB [0,2,0,0,0,0|1,0,1]=4 1479 B14R1.756 COC(=O)C(CCc1ccccc1)N 1P004S0W [0,2,0,0,0,0|1,0,0]=3 1480 B14R1.756 COC(=O)C(OCc1ccccc1)C 1P01A7B6 [0,2,0,0,0,0|2,0,0]=4 1481 B14R1.756 COC(=O)[C@@H](NCc1ccccc1)C 1P001RTC [0,2,0,0,0,0|2,0,0]=4 1482 B14R1.756 COC(=O)[C@@H](NCc1ccccc1)C 1P00AD7P [0,2,0,0,0,0|2,0,0]=4 1483 B14R1.756 COC(=O)[C@@H](OCc1ccccc1)C 1P01QXVA [0,2,0,0,0,0|2,0,0]=4 1484 B14R1.756 COC(=O)[C@H](NCc1ccccc1)C 1P01B9OT [0,2,0,0,0,0|2,0,0]=4 1485 B14R1.756 COC(=O)[C@H](OCc1ccccc1)C 1P000GGU [0,2,0,0,0,0|2,0,0]=4 1486 B14R1.756 NCC(=O)N(CCc1ccccn1)C 1P01AAH3 [0,2,0,0,0,0|2,0,0]=4 1487 B14R1.4194 CCC(C(=O)O)CCc1ccccc1 1P020N8Y [0,2,0,0,0,0|2,0,0]=4 1488 B14R1.4194 N#CC(C(=O)[O-])CCc1ccccc1 1P01BECL [0,2,0,0,0,0|2,0,0]=4 1489 B14R1.6395 CC(=O)C(COc1ccccc1)(O)C 1P028KIT [0,2,0,0,0,0|2,0,0]=4 1490 B14R1.6395 OC(=O)C(CCc1ccccc1)(F)F 1P01ENB4 [0,2,0,0,0,0|2,0,0]=4 1491 B14R1.6395 OC(=O)C(CCc1ccccc1)(N)C 1P00E1LT [0,2,0,0,0,0|2,0,0]=4 1492 B14R1.6395 OC(=O)C(CCc1ccccc1)(N)C 1P019VX1 [0,2,0,0,0,0|2,0,0]=4 1493 B14R1.6395 OC(=O)C(CCc1ccccc1)(O)C 1P01B99L [0,2,0,0,0,0|2,0,0]=4 1494 B14R1.4 C#Cc1ccc(cc1)CCCC(=O)O 1P028YU1 [0,2,0,0,0,0|2,0,0]=4 1495 B14R1.4 CCc1ccc(cc1)CCCC(=O)O 1P00D9F0 [0,2,0,0,0,0|2,0,0]=4 1496 B14R1.4 COc1ccc(cc1)CCCC(=O)O 1P003KKY [0,2,0,0,0,0|2,0,0]=4 1497 B14R1.4 COc1ccc(cc1)CCNC(=O)N 1P00AJSV [0,2,0,0,0,0|2,0,0]=4 1498 B14R1.4 COc1ccc(cc1)OCCC(=O)C 1P01C0YU [0,2,0,0,0,0|2,0,0]=4 1499 B14R1.4 CSc1ccc(cc1)CCCC(=O)O 1P01C4K1 [0,2,0,0,0,0|2,0,0]=4 1500 B14R1.4 N#Cc1ccc(cc1)CCCC(=O)O 1P01B240 [0,2,0,0,0,0|2,0,0]=4 1501 B14R1.4 NCc1ccc(cc1)CCCC(=O)O 1P01FIUW [0,2,0,0,0,0|2,0,0]=4 1502 B14R1.13 CNC(=O)CCOc1ccc(cc1)N 1P01ABIQ [0,2,0,0,0,0|2,0,0]=4 1503 B14R1.13 COC(=O)C#CCc1ccc(cc1)C 1P028A0W [0,2,0,0,0,0|1,0,1]=4 1504 B14R1.13 COC(=O)CCCc1ccc(cc1)Br 1P00IKK3 [0,2,0,0,0,0|1,0,0]=3 1505 B14R1.13 COC(=O)CCCc1ccc(cc1)N 1P002IXH [0,2,0,0,0,0|1,0,0]=3 1506 B14R1.13 COC(=O)CCNc1ccc(cc1)C 1P019VY6 [0,2,0,0,0,0|2,0,0]=4 1507 B14R1.13 COC(=O)CCNc1ccc(cc1)O 1P003S7B [0,2,0,0,0,0|2,0,0]=4 1508 B14R1.13 COC(=O)CCOc1ccc(cc1)N 1P01A8H5 [0,2,0,0,0,0|2,0,0]=4 1509 B14R1.13 COC(=O)CCSc1ccc(cc1)N 1P0287CJ [0,2,0,0,0,0|2,0,0]=4 1510 B14R1.13 COC(=O)CNCc1ccc(cc1)Br 1P0288KM [0,2,0,0,0,0|2,0,0]=4 1511 B14R1.13 COC(=O)CNCc1ccc(cc1)Br 1P028SEQ [0,2,0,0,0,0|2,0,0]=4 1512 B14R1.13 COC(=O)CNCc1ccc(cc1)Cl 1P019VIU [0,2,0,0,0,0|2,0,0]=4 1513 B14R1.13 ClCC(=O)NCCc1ccc(cc1)Cl 1P007ADV [0,2,0,0,0,0|1,0,0]=3 1514 B14R1.13 ClCC(=O)NCCc1ccc(cc1)F 1P00C0KU [0,2,0,0,0,0|1,0,0]=3 1515 B14R1.131 CC(OCCc1ccc(cc1)N)(C)C 1P0292EQ [0,2,0,0,0,0|1,0,1]=4 1516 B14R1.131 Fc1ccc(cc1)CCNS(=O)(=O)C 1P01JJT5 [0,2,0,0,0,0|2,0,0]=4 1517 B14R1.131 Oc1ccc(cc1)CCNS(=O)(=O)C 1P00496K [0,2,0,0,0,0|2,0,0]=4 1518 B14R1.520 C=COC(=O)CCCc1ccccc1 1P01JX4G [0,2,0,0,0,0|1,0,1]=4 1519 B14R1.520 CCCC(=O)OCCc1ccccc1 1P003U4O [0,2,0,0,0,0|0,0,0]=2 1520 B14R1.520 CCOC(=O)C#CCc1ccccc1 1P01A6O7 [0,2,0,0,0,0|1,0,1]=4 1521 B14R1.520 CCOC(=O)C=CCc1ccccc1 1P00D9I8 [0,2,0,0,0,0|1,0,1]=4 1522 B14R1.520 CCOC(=O)CCCc1ccccc1 1P00021I [0,2,0,0,0,0|1,0,0]=3 1523 B14R1.520 CCOC(=O)CCNc1ccccc1 1P00ELAU [0,2,0,0,0,0|2,0,0]=4 1524 B14R1.520 CCOC(=O)CNCc1ccccc1 1P003915 [0,2,0,0,0,0|2,0,0]=4 1525 B14R1.520 CCOC(=O)CNCc1ccccc1 1P00E9A0 [0,2,0,0,0,0|2,0,0]=4 1526 B14R1.520 CCOC(=O)COCc1ccccc1 1P0035AW [0,2,0,0,0,0|2,0,0]=4 1527 B14R1.520 CCOC(=O)CSCc1ccccc1 1P002VLH [0,2,0,0,0,0|2,0,0]=4 1528 B14R1.520 CCOC(=O)NCCc1ccccc1 1P006987 [0,2,0,0,0,0|1,0,0]=3 1529 B14R1.520 CCOC(=O)NOCc1ccccc1 1P00DUEC [0,2,0,0,0,0|2,0,0]=4 1530 B14R1.520 CCOC(OCCc1ccccc1)C 1P00BC8O [0,2,0,0,0,0|0,0,2]=4 1531 B14R1.520 ClCCC(=O)NCCc1ccccc1 1P00BFMN [0,2,0,0,0,0|1,0,0]=3 1532 B14R1.520 N#CCC(=O)NCCc1ccccc1 1P00DD62 [0,2,0,0,0,0|1,0,0]=3 1533 B12R1.75 C=Cc1ccccc1OC(=O)C 1P003O3B [0,0,1,1,0,0|0,0,2]=4 1534 B12R2.1 CNC1CCc2c1cccc2 1P002K5A [1,0,0,1,0,0|2,0,0]=4 1535 B12R2.1 CN[C@@H]1CCc2c1cccc2 1P027URY [1,0,0,1,0,0|2,0,0]=4 1536 B12R2.1 O=CC1CCc2c1cccc2 1P01AH7Z [1,0,0,1,0,0|1,0,0]=3 1537 B12R2.1 O=CN1CCc2c1cccc2 1P002WC1 [1,0,0,1,0,0|1,0,0]=3 1538 B12R2.1 O=NN1CCc2c1cccc2 1P00G9SU [1,0,0,1,0,0|2,0,0]=4 1539 B12R2.2 C1NCC(C1)c2ccccc2 1P003A3E [1,0,0,1,0,0|1,0,1]=4 1540 B12R2.2 C1NCC(C1)c2ccccc2 1P00GSPY [1,0,0,1,0,0|1,0,1]=4 1541 B12R2.2 C1NC[C@@H](C1)c2ccccc2 1P008SNV [1,0,0,1,0,0|1,0,1]=4 1542 B12R2.2 C1NC[C@@H](C1)c2ccccc2 1P00F5WR [1,0,0,1,0,0|1,0,1]=4 1543 B12R2.2 C1NC[C@H](C1)c2ccccc2 1P00F5E7 [1,0,0,1,0,0|1,0,1]=4 1544 B12R2.2 C1NC[C@H](C1)c2ccccc2 1P00G3DZ [1,0,0,1,0,0|1,0,1]=4 1545 B12R2.2 N1=CCC(N1)c2ccccc2 1P01BNKM [1,0,0,1,0,0|2,0,0]=4 1546 B12R2.2 O1CC[C@H](N1)c2ccccc2 1P01KZLY [1,0,0,1,0,0|1,0,1]=4 1547 B12R2.23 O=C1CCC1c2ccccc2 1P0072PM [1,0,0,1,0,0|1,0,0]=3 1548 B12R2.23 O=C1CCN1c2ccccc2 1P00DLNM [1,0,0,1,0,0|2,0,0]=4 1549 B12R2.23 O=C1COC1c2ccccc2 1P01BISV [1,0,0,1,0,0|2,0,0]=4 1550 B12R2.27 CNC1CC1c2ccccc2 1P01A1NI [1,0,0,1,0,0|2,0,0]=4 1551 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 1P0287PW [1,0,0,1,0,0|2,0,0]=4 1552 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 1P028BEU [1,0,0,1,0,0|2,0,0]=4 1553 B12R2.27 O=CC1CC1c2ccncc2 1P006PR2 [1,0,0,1,0,0|2,0,0]=4 1554 B12R2.27 O=C[C@@H]1C[C@H]1c2ccccc2 1P01C3AV [1,0,0,1,0,0|1,0,0]=3 1555 B12R2.41 C1C=Cc2c(CC1)cccc2 1P005WAO [1,0,0,1,0,0|1,0,1]=4 1556 B12R2.41 C1NCc2c(CC1)cccc2 1P0025NW [1,0,0,1,0,0|2,0,0]=4 1557 B12R2.41 C1NCc2c(CC1)cccc2 1P003FUB [1,0,0,1,0,0|2,0,0]=4 1558 B12R2.41 N1CCc2c(CC1)cccc2 1P001ZMY [1,0,0,1,0,0|1,0,1]=4 1559 B12R2.41 N1CCc2c(CC1)cccc2 1P0072PZ [1,0,0,1,0,0|1,0,1]=4 1560 B12R2.1081 CC1=NCCc2c1cccc2 1P002SQB [1,0,0,1,0,0|1,0,0]=3 1561 B12R2.1081 CC1=NCCc2c1cccc2 1P00BJJ1 [1,0,0,1,0,0|1,0,0]=3 1562 B12R2.1081 CC1=NCCc2c1cccn2 1P000I20 [1,0,0,1,0,0|2,0,0]=4 1563 B12R2.1081 CC1NCCc2c1cccc2 1P003EXJ [1,0,0,1,0,0|1,0,1]=4 1564 B12R2.1081 CC1NCCc2c1cccc2 1P008ZIA [1,0,0,1,0,0|1,0,1]=4 1565 B12R2.1081 CN1CCCc2c1cccc2 1P00I9AM [1,0,0,1,0,0|2,0,0]=4 1566 B12R2.1081 C[C@@H]1NCCc2c1cccc2 1P00EKIC [1,0,0,1,0,0|1,0,1]=4 1567 B12R2.1081 C[C@H]1NCCc2c1cccc2 1P00G8PU [1,0,0,1,0,0|1,0,1]=4 1568 B12R2.1081 O=C1CCC[n+]2c1cccc2 1P00E1MA [1,0,0,1,0,0|2,0,0]=4 1569 B12R2.1081 O=C1CCCc2c1cccc2 1P0033AS [1,0,0,1,0,0|1,0,0]=3 1570 B12R2.1081 O=C1CCCc2c1cccn2 1P00D8W4 [1,0,0,1,0,0|2,0,0]=4 1571 B12R2.1081 O=C1CCCc2c1cccn2 1P00H3KN [1,0,0,1,0,0|2,0,0]=4 1572 B12R2.1081 O=C1CCCc2c1ccnc2 1P007GZF [1,0,0,1,0,0|2,0,0]=4 1573 B12R2.1081 O=C1CCCc2c1ccnc2 1P00I4PZ [1,0,0,1,0,0|2,0,0]=4 1574 B12R2.1081 O=C1CCCc2c1cncc2 1P009X0D [1,0,0,1,0,0|2,0,0]=4 1575 B12R2.1081 O=C1CCCc2c1cncc2 1P00I4Q0 [1,0,0,1,0,0|2,0,0]=4 1576 B12R2.1081 O=C1CCCc2c1nccc2 1P003NHQ [1,0,0,1,0,0|2,0,0]=4 1577 B12R2.1081 O=C1CCNc2c1cccc2 1P0033EM [1,0,0,1,0,0|2,0,0]=4 1578 B12R2.1081 O=C1CCNc2c1cccc2 1P00BXYO [1,0,0,1,0,0|2,0,0]=4 1579 B12R2.1081 O=C1CCOc2c1cccc2 1P0034H7 [1,0,0,1,0,0|2,0,0]=4 1580 B12R2.1081 O=C1CCSc2c1cccc2 1P003V8V [1,0,0,1,0,0|2,0,0]=4 1581 B12R2.1081 O=C1COCc2c1cccc2 1P002KKX [1,0,0,1,0,0|2,0,0]=4 1582 B12R2.1081 O=C1CSCc2c1cccc2 1P003RMB [1,0,0,1,0,0|2,0,0]=4 1583 B12R2.1081 O=C1NCCc2c1cccc2 1P000PPA [1,0,0,1,0,0|1,0,0]=3 1584 B12R2.1081 O=C1NCCc2c1cccn2 1P001O18 [1,0,0,1,0,0|2,0,0]=4 1585 B12R2.1081 O=C1NCCc2c1cncc2 1P00G8CA [1,0,0,1,0,0|2,0,0]=4 1586 B12R2.1081 O=C1NCCc2c1cncc2 1P027Z26 [1,0,0,1,0,0|2,0,0]=4 1587 B12R2.1081 O=C1NCCc2c1nccc2 1P00BIR9 [1,0,0,1,0,0|2,0,0]=4 1588 B12R2.1081 O=C1NNCc2c1cccc2 1P01EKGA [1,0,0,1,0,0|2,0,0]=4 1589 B12R2.1081 O=C1OCCc2c1cccc2 1P003IXX [1,0,0,1,0,0|0,0,0]=2 1590 B12R2.1081 O=c1occc2c1cccc2 1P00DKD7 [1,0,0,1,0,0|0,0,2]=4 1591 B12R2.1081 OB1OCCc2c1cccc2 1P002G3J [1,0,0,1,0,0|1,0,1]=4 1592 B12R2.1081 S=C1NCCc2c1cccc2 1P00EE9W [1,0,0,1,0,0|1,1,0]=4 1593 B12R2.2057 C(C1OC1)Cc2ccccc2 1P01A7CT [1,0,0,1,0,0|2,0,0]=4 1594 B12R2.2058 C1CC(N1)Cc2ccccc2 1P019U4V [1,0,0,1,0,0|1,0,1]=4 1595 B12R2.2058 N1CC(C1)Cc2ccccc2 1P00GD0R [1,0,0,1,0,0|2,0,0]=4 1596 B12R2.22 BrC1CC(C1)c2ccccc2 1P0291Y1 [0,0,0,1,1,0|1,0,1]=4 1597 B12R2.22 C=C1CC(C1)c2ccccc2 1P028DIZ [0,0,0,1,1,0|1,0,0]=3 1598 B12R2.22 NC1CC(C1)c2ccccc2 1P00IGS9 [0,0,0,1,1,0|1,0,1]=4 1599 B12R2.22 NC1CC(C1)c2ccccc2 1P01AAW6 [0,0,0,1,1,0|1,0,1]=4 1600 B12R2.22 N[C@@H]1C[C@@H](C1)c2ccccc2 1P00CIY6 [0,0,0,1,1,0|1,0,1]=4 1601 B12R2.22 N[C@@H]1C[C@@H](C1)c2ccccc2 1P01BCEE [0,0,0,1,1,0|1,0,1]=4 1602 B12R2.22 N[C@@H]1C[C@H](C1)c2ccccc2 1P001PMC [0,0,0,1,1,0|1,0,1]=4 1603 B12R2.22 N[C@@H]1C[C@H](C1)c2ccccc2 1P01B816 [0,0,0,1,1,0|1,0,1]=4 1604 B12R2.22 O=C1CC(=C1)c2ccccc2 1P0283JH [0,0,0,1,1,0|0,0,2]=4 1605 B12R2.22 O=C1CC(C1)c2ccccc2 1P00DAV9 [0,0,0,1,1,0|0,0,0]=2 1606 B12R2.22 O=C1CC(C1)c2ccncc2 1P01AN9O [0,0,0,1,1,0|1,0,0]=3 1607 B12R2.22 O=C1CC(N1)c2ccccc2 1P00EEJP [0,0,0,1,1,0|1,0,0]=3 1608 B12R2.22 OC1CC(C1)c2ccccc2 1P01A0RI [0,0,0,1,1,0|0,0,2]=4 1609 B12R2.22 O[C@@H]1C[C@@H](C1)c2ccccc2 1P01BCCJ [0,0,0,1,1,0|0,0,2]=4 1610 B12R2.22 O[C@@H]1C[C@H](C1)c2ccccc2 1P01BFP2 [0,0,0,1,1,0|0,0,2]=4 1611 B12R2.24 BrC1CCc2c(C1)cccc2 1P01AA0L [0,0,0,1,1,0|1,0,1]=4 1612 B12R2.24 C1CC(=O)Nc2c1nccc2 1P00IIJQ [0,0,0,1,1,0|2,0,0]=4 1613 B12R2.24 CC1=Nc2c(CN1)cccc2 1P019MR0 [0,0,0,1,1,0|2,0,0]=4 1614 B12R2.24 CC1CCc2c(N1)cccc2 1P00266P [0,0,0,1,1,0|1,0,1]=4 1615 B12R2.24 CN1CCc2c(C1)cccc2 1P001SPY [0,0,0,1,1,0|2,0,0]=4 1616 B12R2.24 CN1CCc2c(C1)cccc2 1P00DJHF [0,0,0,1,1,0|2,0,0]=4 1617 B12R2.24 NC1=Nc2c(CC1)cccc2 1P028CNT [0,0,0,1,1,0|2,0,0]=4 1618 B12R2.24 NC1CCc2c(C1)cccc2 1P00201L [0,0,0,1,1,0|1,0,1]=4 1619 B12R2.24 NC1CCc2c(C1)cccc2 1P002Z65 [0,0,0,1,1,0|1,0,1]=4 1620 B12R2.24 NN1CCc2c(C1)cccc2 1P00G8HI [0,0,0,1,1,0|2,0,0]=4 1621 B12R2.24 N[C@@H]1CCc2c(C1)cccc2 1P00389M [0,0,0,1,1,0|1,0,1]=4 1622 B12R2.24 N[C@H]1CCc2c(C1)cccc2 1P00I4PM [0,0,0,1,1,0|1,0,1]=4 1623 B12R2.24 O=C1CCc2c(C1)cccn2 1P00BD2K [0,0,0,1,1,0|1,0,0]=3 1624 B12R2.24 O=C1CCc2c(N1)cccc2 1P003IXY [0,0,0,1,1,0|1,0,0]=3 1625 B12R2.24 O=C1CCc2c(N1)ccnc2 1P006VJE [0,0,0,1,1,0|2,0,0]=4 1626 B12R2.24 O=C1CCc2c(N1)nccc2 1P00C0W4 [0,0,0,1,1,0|2,0,0]=4 1627 B12R2.24 O=C1CCc2c(O1)cccc2 1P000PG9 [0,0,0,1,1,0|1,0,0]=3 1628 B12R2.24 O=C1CCn2c(=N1)cccc2 1P003IY4 [0,0,0,1,1,0|2,0,0]=4 1629 B12R2.24 O=C1CNc2c(N1)cccc2 1P00EBBL [0,0,0,1,1,0|2,0,0]=4 1630 B12R2.24 O=C1COc2c(C1)cccc2 1P002FDL [0,0,0,1,1,0|1,0,0]=3 1631 B12R2.24 O=C1COc2c(N1)cccc2 1P003HTH [0,0,0,1,1,0|2,0,0]=4 1632 B12R2.24 O=C1COc2c(O1)cccc2 1P00DUNM [0,0,0,1,1,0|2,0,0]=4 1633 B12R2.24 O=C1CSc2c(C1)cccc2 1P001YUW [0,0,0,1,1,0|1,0,0]=3 1634 B12R2.24 O=C1CSc2c(N1)cccc2 1P003HTJ [0,0,0,1,1,0|2,0,0]=4 1635 B12R2.24 O=C1NCc2c(C1)cccc2 1P00C3UR [0,0,0,1,1,0|1,0,0]=3 1636 B12R2.24 O=C1NCc2c(C1)cccn2 1P01DL4O [0,0,0,1,1,0|2,0,0]=4 1637 B12R2.24 O=C1NCc2c(C1)cncc2 1P007BG4 [0,0,0,1,1,0|2,0,0]=4 1638 B12R2.24 O=C1NCc2c(N1)cccc2 1P00FGZ1 [0,0,0,1,1,0|2,0,0]=4 1639 B12R2.24 O=C1NCc2c(O1)cccc2 1P009OMZ [0,0,0,1,1,0|2,0,0]=4 1640 B12R2.24 O=C1OCc2c(C1)cccc2 1P00I8TK [0,0,0,1,1,0|0,0,0]=2 1641 B12R2.24 O=C1OCc2c(N1)cccc2 1P00AGC8 [0,0,0,1,1,0|1,0,0]=3 1642 B12R2.24 OC1CCc2c(C1)cccc2 1P00D8EP [0,0,0,1,1,0|0,0,2]=4 1643 B12R2.24 OC1OCc2c(C1)cccc2 1P00CVDY [0,0,0,1,1,0|0,0,2]=4 1644 B12R2.24 SC1CCc2c(C1)cccc2 1P01AAN9 [0,0,0,1,1,0|0,1,1]=4 1645 B12R2.92 CC1(C)OC1c2ccccc2 1P00056M [0,0,0,1,1,0|1,0,1]=4 1646 B12R2.92 C[C@@]1(N)C[C@H]1c2ccccc2 1P01AMOG [0,0,0,1,1,0|1,0,1]=4 1647 B12R2.92 C[C@@]1(O)C[C@H]1c2ccccc2 1P028NJL [0,0,0,1,1,0|0,0,2]=4 1648 B12R2.92 C[C@]1(N)C[C@@H]1c2ccccc2 1P028V4E [0,0,0,1,1,0|1,0,1]=4 1649 B12R2.2403 CC1(N)CCc2c1cccc2 1P01C4XI [0,0,0,1,1,0|1,0,1]=4 1650 B12R2.2403 CC1(O)CCc2c1cccc2 1P00EMDX [0,0,0,1,1,0|0,0,2]=4 1651 B12R2.2403 C[Si]1(C)OCc2c1cccc2 1P00CA06 [0,0,0,1,1,0|1,1,0]=4 1652 B12R2.2403 N=S1(=O)CCc2c1cccc2 1P01B5VA [0,0,0,1,1,0|2,0,0]=4 1653 B12R2.2403 O=S1(=O)CCc2c1cccc2 1P007KUJ [0,0,0,1,1,0|2,0,0]=4 1654 B12R2.2403 OP1(=O)OCc2c1cccc2 1P028I0P [0,0,0,1,1,0|2,0,0]=4 1655 B12R2.3190 CC(=O)C1Cc2c1cccc2 1P009LOJ [0,0,0,1,1,0|0,0,0]=2 1656 B12R2.3190 CC(C1Cc2c1cccc2)N 1P01A5WI [0,0,0,1,1,0|1,0,1]=4 1657 B12R2.3190 ClC(=O)C1Cc2c1cccc2 1P001F99 [0,0,0,1,1,0|1,0,0]=3 1658 B12R2.3190 NC(=N)C1Cc2c1cccc2 1P01A5IY [0,0,0,1,1,0|2,0,0]=4 1659 B12R2.3190 OC(=O)C1Cc2c1cccc2 1P001IVS [0,0,0,1,1,0|1,0,0]=3 1660 B12R2.6 O=C1NCC(C1)c2ccco2 1P004BR4 [0,0,0,1,1,0|2,0,0]=4 1661 B12R2.6 O=C1NCC(C1)c2cccs2 1P004C52 [0,0,0,1,1,0|2,0,0]=4 1662 B12R2.6 O=C1NCC(C1)c2cocc2 1P00J39J [0,0,0,1,1,0|2,0,0]=4 1663 B12R2.114 O=C1CCCc2c(C1)ccs2 1P01DVDI [0,0,0,1,1,0|2,0,0]=4 1664 B12R2.1354 CC(=O)[C@@H]1C[C@H]1c2cccs2 1P024KOQ [0,0,0,1,1,0|2,0,0]=4 1665 B14R2.2 CC(=O)OC1CCc2c1cccc2 1P002TQS [0,0,0,1,0,1|0,0,0]=2 1666 B14R2.2 CC(=O)OC1CCc2c1nccc2 1P003NHN [0,0,0,1,0,1|1,0,0]=3 1667 B14R2.2 CC(=O)Oc1c[nH]c2c1cccc2 1P00E972 [0,0,0,1,0,1|0,0,2]=4 1668 B14R2.2 OC(=O)CC1CCc2c1cccc2 1P00C6QF [0,0,0,1,0,1|2,0,0]=4 1669 B14R2.2 OC(=O)CC1CNc2c1cccc2 1P01AJ24 [0,0,0,1,0,1|2,0,0]=4 1670 B14R2.2 OC(=O)CC1COc2c1cccc2 1P00GD01 [0,0,0,1,0,1|2,0,0]=4 1671 B14R2.2 OC(=O)CC1NCc2c1cccc2 1P028C5V [0,0,0,1,0,1|2,0,0]=4 1672 B14R2.2 OC(=O)CC1OCc2c1cccc2 1P01B2VI [0,0,0,1,0,1|2,0,0]=4 1673 B14R2.2 OC(=O)CN1CCc2c1cccc2 1P019WHB [0,0,0,1,0,1|2,0,0]=4 1674 B14R2.19 C=C1CCN(C1)Cc2ccccc2 1P01AI8T [0,0,0,1,0,1|2,0,0]=4 1675 B14R2.19 O=C1CCC(C1)Cc2ccccc2 1P00IE0X [0,0,0,1,0,1|1,0,0]=3 1676 B14R2.19 O=C1CCC(N1)Cc2ccccc2 1P00A4OY [0,0,0,1,0,1|2,0,0]=4 1677 B14R2.19 O=C1CCC(O1)Cc2ccccc2 1P01A0ME [0,0,0,1,0,1|2,0,0]=4 1678 B14R2.19 O=C1CCN(C1)Cc2ccccc2 1P0004EO [0,0,0,1,0,1|1,0,0]=3 1679 B14R2.19 O=C1CCN(C1)Cc2ccccc2 1P003354 [0,0,0,1,0,1|1,0,0]=3 1680 B14R2.19 O=C1NCC(C1)Cc2ccccc2 1P007JQQ [0,0,0,1,0,1|1,0,0]=3 1681 B14R2.19 O=C1NCC(O1)Cc2ccccc2 1P01A6AI [0,0,0,1,0,1|2,0,0]=4 1682 B14R2.19 O=C1OCC(=C1)Sc2ccccc2 1P00F174 [0,0,0,1,0,1|0,0,2]=4 1683 B14R2.19 O=C1OCC(C1)Cc2ccccc2 1P00BK67 [0,0,0,1,0,1|0,0,0]=2 1684 B14R2.19 O=C1OC[C@@H](N1)Cc2ccccc2 1P0032XX [0,0,0,1,0,1|1,0,0]=3 1685 B14R2.19 O=C1OC[C@H](N1)Cc2ccccc2 1P0006V2 [0,0,0,1,0,1|1,0,0]=3 1686 B14R2.19 O=C1SC[C@@H](N1)Cc2ccccc2 1P00BDVY [0,0,0,1,0,1|1,1,0]=4 1687 B14R2.19 O=C1SC[C@H](N1)Cc2ccccc2 1P0016BK [0,0,0,1,0,1|1,1,0]=4 1688 B14R2.19 S=C1OC[C@@H](N1)Cc2ccccc2 1P001DNB [0,0,0,1,0,1|1,1,0]=4 1689 B14R2.19 S=C1OC[C@H](N1)Cc2ccccc2 1P002FF6 [0,0,0,1,0,1|1,1,0]=4 1690 B14R2.21 C[C@@H]1COC[C@H](N1)c2ccccc2 1P028AQZ [0,0,0,1,0,1|1,0,1]=4 1691 B14R2.21 C[C@H]1COC[C@H](N1)c2ccccc2 1P028DM9 [0,0,0,1,0,1|1,0,1]=4 1692 B14R2.21 O=C1C=CNC(C1)c2ccccc2 1P000T6J [0,0,0,1,0,1|1,0,1]=4 1693 B14R2.21 O=C1C=COC(C1)c2ccccc2 1P00741P [0,0,0,1,0,1|1,0,1]=4 1694 B14R2.21 O=C1CCCC(=C1)c2ccccc2 1P0092ME [0,0,0,1,0,1|1,0,1]=4 1695 B14R2.21 O=C1CCCC(C1)c2ccccc2 1P002JUC [0,0,0,1,0,1|1,0,0]=3 1696 B14R2.21 O=C1CCCC(C1)c2cccnc2 1P00AT0D [0,0,0,1,0,1|2,0,0]=4 1697 B14R2.21 O=C1CCCC(N1)c2ccccc2 1P00CLAT [0,0,0,1,0,1|2,0,0]=4 1698 B14R2.21 O=C1CCCC(O1)c2ccccc2 1P02010V [0,0,0,1,0,1|2,0,0]=4 1699 B14R2.21 O=C1CCCN(C1)c2ccccc2 1P001LEW [0,0,0,1,0,1|1,0,0]=3 1700 B14R2.21 O=C1CCC[C@@H](C1)c2ccccc2 1P00EE87 [0,0,0,1,0,1|1,0,0]=3 1701 B14R2.21 O=C1CCC[C@H](C1)c2ccccc2 1P00C8RB [0,0,0,1,0,1|1,0,0]=3 1702 B14R2.21 O=C1CCNC(C1)c2ccccc2 1P000MS7 [0,0,0,1,0,1|1,0,0]=3 1703 B14R2.21 O=C1CCNC(C1)c2ccccc2 1P007RGW [0,0,0,1,0,1|1,0,0]=3 1704 B14R2.21 O=C1CCOC(C1)c2ccccc2 1P001FJW [0,0,0,1,0,1|1,0,0]=3 1705 B14R2.21 O=C1CNCC(N1)c2ccccc2 1P02808F [0,0,0,1,0,1|2,0,0]=4 1706 B14R2.21 O=C1COCC(N1)c2ccccc2 1P000RHJ [0,0,0,1,0,1|1,0,0]=3 1707 B14R2.21 O=C1COC[C@@H](N1)c2ccccc2 1P008TI4 [0,0,0,1,0,1|1,0,0]=3 1708 B14R2.21 O=C1COC[C@H](N1)c2ccccc2 1P002GTS [0,0,0,1,0,1|1,0,0]=3 1709 B14R2.21 O=C1CSCC(N1)c2ccccc2 1P01AUXT [0,0,0,1,0,1|1,1,0]=4 1710 B14R2.21 O=C1NCCC(C1)c2ccccc2 1P008LLA [0,0,0,1,0,1|1,0,0]=3 1711 B14R2.21 O=C1NCCN(C1)c2ccccn2 1P0292K1 [0,0,0,1,0,1|2,0,0]=4 1712 B14R2.21 O=S1CCNC(C1)c2ccccc2 1P01AJJY [0,0,0,1,0,1|2,0,0]=4 1713 B14R2.21 O=S1CCNC(C1)c2ccccc2 1P027YK9 [0,0,0,1,0,1|2,0,0]=4 1714 B14R2.391 O=C1CCCCc2c(C1)cccc2 1P01BU4R [0,0,0,1,0,1|1,0,0]=3 1715 B14R2.391 O=C1CCCCc2c(N1)cccc2 1P007PI7 [0,0,0,1,0,1|2,0,0]=4 1716 B14R2.402 CC1(C)OC1COc2ccccc2 1P028DRS [0,0,0,1,0,1|1,0,1]=4 1717 B14R2.436 C=C1CC(C1)OCc2ccccc2 1P00O8DW [0,0,0,1,0,1|2,0,0]=4 1718 B14R2.436 O=C1CC(C1)OCc2ccccc2 1P0031WU [0,0,0,1,0,1|1,0,0]=3 1719 B14R2.764 OC(=O)C1CC1Cc2ccccc2 1P007XBN [0,0,0,1,0,1|2,0,0]=4 1720 B14R2.764 OC(=O)[C@@H]1C[C@H]1Oc2ccccc2 1P023SDR [0,0,0,1,0,1|2,0,0]=4 1721 B14R2.764 OC(=O)[C@H]1C[C@@H]1Sc2ccccc2 1P024TSA [0,0,0,1,0,1|2,0,0]=4 1722 B14R2.764 OC(=O)[C@H]1C[C@H]1Sc2ccccc2 1P024TS9 [0,0,0,1,0,1|2,0,0]=4 1723 B14R2.780 OC(=O)C1CCC1c2ccccc2 1P01JUHP [0,0,0,1,0,1|2,0,0]=4 1724 B14R2.780 OC(=O)[C@@H]1CC[C@H]1c2ccccc2 1P01JVLK [0,0,0,1,0,1|2,0,0]=4 1725 B14R2.780 OC(=O)[C@@H]1NC[C@H]1c2ccccc2 1P01EM2L [0,0,0,1,0,1|2,0,0]=4 1726 B14R2.780 OC(=O)[C@H]1CC[C@H]1c2ccccc2 1P01JVLO [0,0,0,1,0,1|2,0,0]=4 1727 B14R2.31137 NC(=O)NCC1Cc2c1cccc2 1P028WCE [0,0,0,1,0,1|2,0,0]=4 1728 B14R2.31359 CC(=O)C1CCCc2c1nccc2 1P0096VW [0,0,0,1,0,1|2,0,0]=4 1729 B14R2.31359 CC(=O)N1CCCc2c1cccc2 1P003DQL [0,0,0,1,0,1|1,0,0]=3 1730 B14R2.31359 CC(C1OCCc2c1cccc2)N 1P027VTD [0,0,0,1,0,1|1,0,1]=4 1731 B14R2.31359 ClC(=O)N1CCCc2c1cccc2 1P002SE1 [0,0,0,1,0,1|2,0,0]=4 1732 B14R2.31359 NC(=N)C1OCCc2c1cccc2 1P01A61I [0,0,0,1,0,1|2,0,0]=4 1733 B14R2.31359 NC(=O)C1CCOc2c1cccc2 1P029350 [0,0,0,1,0,1|2,0,0]=4 1734 B14R2.31359 NC(=O)C1CNCc2c1cccc2 1P01BY3Z [0,0,0,1,0,1|2,0,0]=4 1735 B14R2.31359 NC(=O)C1NCCc2c1cccc2 1P00DJQQ [0,0,0,1,0,1|2,0,0]=4 1736 B14R2.31359 NC(=O)C1NCCc2c1cccc2 1P01B6ZW [0,0,0,1,0,1|2,0,0]=4 1737 B14R2.31359 NC(=O)C1OCCc2c1cccc2 1P01A619 [0,0,0,1,0,1|1,0,0]=3 1738 B14R2.31359 OC(=O)C1=CCCc2c1cccc2 1P00CUYU [0,0,0,1,0,1|2,0,0]=4 1739 B14R2.31359 OC(=O)C1CCCc2c1cccc2 1P002FOB [0,0,0,1,0,1|2,0,0]=4 1740 B14R2.31359 OC(=O)C1CCNc2c1cccc2 1P001059 [0,0,0,1,0,1|2,0,0]=4 1741 B14R2.31359 OC(=O)C1CCOc2c1cccc2 1P0029UT [0,0,0,1,0,1|2,0,0]=4 1742 B14R2.31359 OC(=O)C1CCSc2c1cccc2 1P019SKY [0,0,0,1,0,1|2,0,0]=4 1743 B14R2.31359 OC(=O)C1CNCc2c1cccc2 1P000C6W [0,0,0,1,0,1|2,0,0]=4 1744 B14R2.31359 OC(=O)C1CNCc2c1cccc2 1P01C12G [0,0,0,1,0,1|2,0,0]=4 1745 B14R2.31359 OC(=O)C1COCc2c1cccc2 1P00L7H5 [0,0,0,1,0,1|2,0,0]=4 1746 B14R2.31359 OC(=O)C1NCCc2c1cccc2 1P006KI6 [0,0,0,1,0,1|2,0,0]=4 1747 B14R2.31359 OC(=O)C1NCCc2c1cccc2 1P00BXSE [0,0,0,1,0,1|2,0,0]=4 1748 B14R2.31359 OC(=O)C1OCCc2c1cccc2 1P0014ZK [0,0,0,1,0,1|1,0,0]=3 1749 B14R2.31359 OC(=O)C1SCCc2c1cccc2 1P019SRI [0,0,0,1,0,1|1,1,0]=4 1750 B14R2.31359 OC(=O)[C@@H]1CCCc2c1cccc2 1P002NEV [0,0,0,1,0,1|2,0,0]=4 1751 B14R2.31359 OC(=O)[C@@H]1NCCc2c1cccc2 1P001NGY [0,0,0,1,0,1|2,0,0]=4 1752 B14R2.31359 OC(=O)[C@@H]1NCCc2c1cccc2 1P02833Z [0,0,0,1,0,1|2,0,0]=4 1753 B14R2.31359 OC(=O)[C@H]1CCCc2c1cccc2 1P008GD3 [0,0,0,1,0,1|2,0,0]=4 1754 B14R2.31359 OC(=O)[C@H]1NCCc2c1cccc2 1P001NGZ [0,0,0,1,0,1|2,0,0]=4 1755 B14R2.68 CC1OCC(NC1)c2ccccc2 1P009KDT [0,1,0,1,0,0|1,0,1]=4 1756 B14R2.68 C[C@@H]1OC[C@@H](NC1)c2ccccc2 1P00I1MF [0,1,0,1,0,0|1,0,1]=4 1757 B14R2.68 C[C@H]1OC[C@H](NC1)c2ccccc2 1P021YDT [0,1,0,1,0,0|1,0,1]=4 1758 B14R2.68 NC1=NCC(CN1)c2ccccc2 1P027ZE4 [0,1,0,1,0,0|2,0,0]=4 1759 B14R2.68 O=C1CCC(CC1)c2ccccc2 1P0034LM [0,1,0,1,0,0|1,0,0]=3 1760 B14R2.68 O=C1CCC(CC1)c2ccncc2 1P007YB0 [0,1,0,1,0,0|2,0,0]=4 1761 B14R2.68 O=C1CCN(CC1)c2ccccc2 1P002FMI [0,1,0,1,0,0|2,0,0]=4 1762 B14R2.68 O=C1COC(OC1)c2ccccc2 1P00DM9X [0,1,0,1,0,0|2,0,0]=4 1763 B14R2.68 O=C1NCC(NC1)c2ccccc2 1P00H53D [0,1,0,1,0,0|1,0,0]=3 1764 B14R2.68 O=C1NCC(OC1)c2ccccc2 1P00E1M0 [0,1,0,1,0,0|1,0,0]=3 1765 B14R2.68 O=C1OC[C@@H](NC1)c2ccccc2 1P001KRT [0,1,0,1,0,0|0,0,0]=2 1766 B14R2.68 O=C1OC[C@@H](NC1)c2ccccc2 1P00DM4L [0,1,0,1,0,0|0,0,0]=2 1767 B14R2.68 O=C1OC[C@H](NC1)c2ccccc2 1P0077I4 [0,1,0,1,0,0|0,0,0]=2 1768 B14R2.68 O=C1OC[C@H](NC1)c2ccccc2 1P01KA8S [0,1,0,1,0,0|0,0,0]=2 1769 B14R2.287 O=C1CCC(c2c(C1)cccc2)C 1P01DWMC [0,1,0,1,0,0|1,0,0]=3 1770 B14R2.403 O=S1(=O)NCC(C1)c2ccccc2 1P01BBD6 [0,1,0,1,0,0|2,0,0]=4 1771 B14R2.422 NC(c1ccccc1)C2CC(=C)C2 1P027WHJ [0,1,0,1,0,0|2,0,0]=4 1772 B14R2.422 OC(c1ccccc1)C2CC(=C)C2 1P0287KR [0,1,0,1,0,0|2,0,0]=4 1773 B14R2.779 NC(=O)N1CC(C1)c2ccccc2 1P028UOB [0,1,0,1,0,0|2,0,0]=4 1774 B14R2.779 OC(=O)C1CC(C1)c2ccccc2 1P00FI3I [0,1,0,1,0,0|2,0,0]=4 1775 B14R2.779 OC(=O)[C@@H]1C[C@@H](C1)c2ccccc2 1P01EKPS [0,1,0,1,0,0|2,0,0]=4 1776 B14R2.779 OC(=O)[C@@H]1C[C@H](C1)c2ccccc2 1P01XAH6 [0,1,0,1,0,0|2,0,0]=4 1777 B14R2.779 [O-]C(=O)C1CC(O1)c2ccccc2 1P028OM3 [0,1,0,1,0,0|2,0,0]=4 1778 B14R2.2950 CC1OCC(C1)(C)c2ccccc2 1P01FZNF [0,1,0,1,0,0|1,0,1]=4 1779 B14R2.2950 O=C1CCC(C1)(C)c2ccccc2 1P01AGHK [0,1,0,1,0,0|1,0,0]=3 1780 B14R2.2950 O=C1CCC(N1)(C)c2ccccc2 1P01BDSQ [0,1,0,1,0,0|2,0,0]=4 1781 B14R2.2950 O=C1NCC(C1)(C)c2ccccc2 1P01AGDX [0,1,0,1,0,0|1,0,0]=3 1782 B14R2.2950 O=C1NCC(C1)(C)c2ccccn2 1P01A7H8 [0,1,0,1,0,0|2,0,0]=4 1783 B14R2.2950 O=C1NCC(C1)(C)c2cccnc2 1P01AGFC [0,1,0,1,0,0|2,0,0]=4 1784 B14R2.9520 OC(=O)C1CC1(C)c2ccccc2 1P01AC8Q [0,1,0,1,0,0|2,0,0]=4 1785 B14R2.9520 OC(=O)C1CC1(F)c2ccccc2 1P00H1O1 [0,1,0,1,0,0|2,0,0]=4 1786 B14R2.25733 CC(=O)N1CC(=O)c2c1cccc2 1P0038G5 [0,1,0,1,0,0|1,0,1]=4 1787 B14R2.25733 OC(=O)[C@H]1C[C@H](c2c1cccc2)N 1P027Q11 [0,1,0,1,0,0|2,0,0]=4 1788 B14R2.25733 OC(=O)[C@H]1C[C@H](c2c1cccc2)O 1P028POZ [0,1,0,1,0,0|2,0,0]=4 1789 B14R2.22 O=C1CCC(C1)c2cccc(c2)Cl 1P01C2SZ [0,1,0,1,0,0|1,0,0]=3 1790 B14R2.22 O=C1CCC(C1)c2cncc(c2)F 1P01BY1W [0,1,0,1,0,0|2,0,0]=4 1791 B14R2.22 O=C1CCC(N1)c2cccc(c2)N 1P01C3H5 [0,1,0,1,0,0|2,0,0]=4 1792 B14R2.22 O=C1CCN(C1)c2cccc(c2)Br 1P01AHHP [0,1,0,1,0,0|2,0,0]=4 1793 B14R2.22 O=C1NCC(C1)c2cccc(c2)Br 1P008UMB [0,1,0,1,0,0|1,0,0]=3 1794 B14R2.22 O=C1NCC(C1)c2cccc(c2)C 1P00HA60 [0,1,0,1,0,0|1,0,0]=3 1795 B14R2.22 O=C1NCC(C1)c2cccc(c2)Cl 1P01BD1N [0,1,0,1,0,0|1,0,0]=3 1796 B14R2.22 O=C1NCC(C1)c2cccc(c2)F 1P00HA61 [0,1,0,1,0,0|1,0,0]=3 1797 B14R2.22 O=C1NCC(C1)c2cccc(c2)N 1P00ICQN [0,1,0,1,0,0|1,0,0]=3 1798 B14R2.22 O=C1NCC(C1)c2cccc(c2)O 1P018IJP [0,1,0,1,0,0|1,0,0]=3 1799 B14R2.22 O=C1NCC(O1)c2cccc(c2)Br 1P00IILC [0,1,0,1,0,0|2,0,0]=4 1800 B14R2.22 O=C1NCC(O1)c2cccc(c2)C 1P028FJL [0,1,0,1,0,0|2,0,0]=4 1801 B14R2.22 O=C1OCC(N1)c2cccc(c2)Br 1P01ELQN [0,1,0,1,0,0|1,0,0]=3 1802 B14R2.300 Brc1ccc2c(c1)CCN2C(=O)C 1P003DI3 [0,1,0,1,0,0|1,0,0]=3 1803 B14R2.300 Nc1ccc2c(c1)CCN2C(=O)C 1P00DAAR [0,1,0,1,0,0|1,0,0]=3 1804 B14R2.300 Nc1ccc2c(c1)CCN2C(=O)C 1P01EING [0,1,0,1,0,0|1,0,0]=3 1805 B14R2.300 Nc1ccc2c(c1)CCN2C(=O)N 1P01A2RJ [0,1,0,1,0,0|2,0,0]=4 1806 B14R2.300 OC(=O)C1CCc2c1ccc(c2)Br 1P003MX0 [0,1,0,1,0,0|2,0,0]=4 1807 B14R2.300 OC(=O)C1CCc2c1ccc(c2)C 1P01KLAY [0,1,0,1,0,0|2,0,0]=4 1808 B14R2.300 OC(=O)C1CCc2c1ccc(c2)Cl 1P00FGYN [0,1,0,1,0,0|2,0,0]=4 1809 B14R2.300 OC(=O)C1CCc2c1ccc(c2)F 1P00EUW9 [0,1,0,1,0,0|2,0,0]=4 1810 B14R2.300 Oc1ccc2c(c1)CCN2C(=O)C 1P00DZ8Z [0,1,0,1,0,0|1,0,0]=3 1811 B14R2.390 O=C1CCCc2c(N1)c(F)ccc2 1P000GRP [0,1,0,1,0,0|2,0,0]=4 1812 B14R2.4476 CC(=O)[C@@H]1C[C@H]1c2cccc(c2)Br 1P028AKQ [0,1,0,1,0,0|1,0,0]=3 1813 B14R2.4476 OC(=O)C1CC1c2cccc(c2)Br 1P00H3HB [0,1,0,1,0,0|2,0,0]=4 1814 B14R2.4476 OC(=O)C1CC1c2cccc(c2)C 1P01A9CX [0,1,0,1,0,0|2,0,0]=4 1815 B14R2.4476 OC(=O)C1CC1c2cccc(c2)Cl 1P0039S5 [0,1,0,1,0,0|2,0,0]=4 1816 B14R2.4476 OC(=O)C1CC1c2cccc(c2)F 1P000HAC [0,1,0,1,0,0|2,0,0]=4 1817 B14R2.4476 OC(=O)[C@@H]1CC1c2cccc(c2)Br 1P00IZIN [0,1,0,1,0,0|2,0,0]=4 1818 B14R2.4476 OC(=O)[C@@H]1C[C@H]1c2cccc(c2)Br 1P01C2UE [0,1,0,1,0,0|2,0,0]=4 1819 B14R2.4476 OC(=O)[C@@H]1C[C@H]1c2cccc(c2)Cl 1P01C2UB [0,1,0,1,0,0|2,0,0]=4 1820 B14R2.4476 OC(=O)[C@@H]1C[C@H]1c2cccc(c2)F 1P01B8AS [0,1,0,1,0,0|2,0,0]=4 1821 B14R2.4476 OC(=O)[C@H]1C[C@@H]1c2cccc(c2)C 1P01BAH1 [0,1,0,1,0,0|2,0,0]=4 1822 B14R2.4476 OC(=O)[C@H]1C[C@@H]1c2cccc(c2)O 1P01BHCG [0,1,0,1,0,0|2,0,0]=4 1823 B14R2.4640 Brc1ccc2c(c1)CCOC2(C)C 1P028TXH [0,1,0,1,0,0|1,0,1]=4 1824 B14R2.4640 Nc1ccc2c(c1)CCOC2(C)C 1P0292BZ [0,1,0,1,0,0|1,0,1]=4 1825 B14R2.4640 Oc1ccc2c(c1)CCOC2(C)C 1P0290TQ [0,1,0,1,0,0|1,0,1]=4 1826 B14R2.7974 O=C1CCCc2c(N1)ccc(c2)Br 1P00DG0T [0,1,0,1,0,0|2,0,0]=4 1827 B14R2.7974 O=C1CCCc2c(N1)ccc(c2)Cl 1P006Z7E [0,1,0,1,0,0|2,0,0]=4 1828 B14R2.7974 O=C1CCCc2c(N1)ccc(c2)N 1P006ZMT [0,1,0,1,0,0|2,0,0]=4 1829 B14R2.7974 O=C1CCCc2c(N1)ccc(c2)O 1P01A3ZL [0,1,0,1,0,0|2,0,0]=4 1830 B14R2.7974 O=C1CCOc2c(C1)ccc(c2)Br 1P028M4F [0,1,0,1,0,0|2,0,0]=4 1831 B14R2.8053 CC(=O)N1CCc2c1c(N)ccc2 1P006W85 [0,1,0,1,0,0|1,0,0]=3 1832 B14R2.8053 OC(=O)C1CCc2c1c(Cl)ccc2 1P00IC0I [0,1,0,1,0,0|2,0,0]=4 1833 B14R2.8053 OC(=O)C1CCc2c1c(F)ccc2 1P0290VF [0,1,0,1,0,0|2,0,0]=4 1834 B14R2.8053 OC(=O)C1CCc2c1c(O)ccc2 1P01AM9O [0,1,0,1,0,0|2,0,0]=4 1835 B14R2.9057 O=C1CC(N1)Oc2cccc(c2)N 1P01C3JW [0,1,0,1,0,0|2,0,0]=4 1836 B14R2.256 O=C1CCC(N1)c2ccccc2Br 1P000WPW [0,1,0,1,0,0|2,0,0]=4 1837 B14R2.256 O=C1CCC(N1)c2ccccc2N 1P01B5KC [0,1,0,1,0,0|2,0,0]=4 1838 B14R2.256 O=C1NCC(C1)c2ccccc2Br 1P01C5C6 [0,1,0,1,0,0|1,0,0]=3 1839 B14R2.256 O=C1NCC(C1)c2ccccc2C 1P01A92W [0,1,0,1,0,0|1,0,0]=3 1840 B14R2.256 O=C1NCC(C1)c2ccccc2F 1P01A75P [0,1,0,1,0,0|1,0,0]=3 1841 B14R2.256 O=C1NCC(C1)c2ccccc2N 1P028UTQ [0,1,0,1,0,0|1,0,0]=3 1842 B14R2.256 O=C1NCC(C1)c2ccccc2O 1P01XIDQ [0,1,0,1,0,0|1,0,0]=3 1843 B14R2.256 O=C1NCC(O1)c2ccccc2Br 1P00HTNW [0,1,0,1,0,0|2,0,0]=4 1844 B14R2.256 O=C1OCC(N1)c2ccccc2I 1P01DZJC [0,1,0,1,0,0|1,0,0]=3 1845 B14R2.280 O=C1NCCc2c(CC1)cccc2 1P01C1PL [0,1,0,1,0,0|1,0,0]=3 1846 B14R2.663 O=C1CC(N1)Oc2ccccc2N 1P01C410 [0,1,0,1,0,0|2,0,0]=4 1847 B14R2.768 CC(=O)CN1Cc2c(C1)cccc2 1P01BE30 [0,1,0,1,0,0|2,0,0]=4 1848 B14R2.768 CC(=O)NC1Cc2c(C1)cccc2 1P001B9U [0,1,0,1,0,0|1,0,0]=3 1849 B14R2.768 OC(=O)CC1Cc2c(C1)cccc2 1P00BYZ9 [0,1,0,1,0,0|2,0,0]=4 1850 B14R2.768 OC(=O)CC1Cc2c(N1)cccc2 1P02811E [0,1,0,1,0,0|2,0,0]=4 1851 B14R2.768 OC(=O)CC1Cc2c(O1)cccc2 1P00ELBK [0,1,0,1,0,0|2,0,0]=4 1852 B14R2.768 OC(=O)C[C@@H]1Cc2c(N1)cccc2 1P028K8X [0,1,0,1,0,0|2,0,0]=4 1853 B14R2.768 OC(=O)C[C@H]1Cc2c(N1)cccc2 1P028K05 [0,1,0,1,0,0|2,0,0]=4 1854 B14R2.781 CC(=O)C1=Cc2c(OC1)cccc2 1P006VNL [0,1,0,1,0,0|2,0,0]=4 1855 B14R2.781 CC(=O)C1CCc2c(O1)cccc2 1P027UGP [0,1,0,1,0,0|1,0,0]=3 1856 B14R2.781 CC(=O)C1COc2c(C1)cccc2 1P01BJDU [0,1,0,1,0,0|2,0,0]=4 1857 B14R2.781 CC(=O)C1COc2c(O1)cccc2 1P00048C [0,1,0,1,0,0|2,0,0]=4 1858 B14R2.781 CC(=O)N1CCc2c(C1)cccc2 1P00AGED [0,1,0,1,0,0|1,0,0]=3 1859 B14R2.781 CC(=O)N1OCc2c(C1)cccc2 1P0288AK [0,1,0,1,0,0|2,0,0]=4 1860 B14R2.781 ClC(=O)N1CCc2c(C1)cccc2 1P002CMA [0,1,0,1,0,0|2,0,0]=4 1861 B14R2.781 NC(=O)C1CCc2c(N1)cccc2 1P01A8PM [0,1,0,1,0,0|2,0,0]=4 1862 B14R2.781 NC(=O)N1CCc2c(C1)cccc2 1P01A96X [0,1,0,1,0,0|2,0,0]=4 1863 B14R2.781 OC(=O)C1CCc2c(C1)cccc2 1P003DQQ [0,1,0,1,0,0|2,0,0]=4 1864 B14R2.781 OC(=O)C1CCc2c(N1)cccc2 1P00D8UA [0,1,0,1,0,0|2,0,0]=4 1865 B14R2.781 OC(=O)C1CCc2c(N1)cccc2 1P00GGJE [0,1,0,1,0,0|2,0,0]=4 1866 B14R2.781 OC(=O)C1CCc2c(O1)cccc2 1P0037SX [0,1,0,1,0,0|2,0,0]=4 1867 B14R2.781 OC(=O)[C@@H]1CCc2c(N1)cccc2 1P00EB64 [0,1,0,1,0,0|2,0,0]=4 1868 B14R2.781 OC(=O)[C@H]1CCc2c(N1)cccc2 1P005LKG [0,1,0,1,0,0|2,0,0]=4 1869 B14R2.781 OC(=O)[C@H]1CCc2c(O1)cccc2 1P00G89A [0,1,0,1,0,0|2,0,0]=4 1870 B14R2.5443 CC(=O)C1CC1c2ccccc2Cl 1P019WHF [0,1,0,1,0,0|1,0,0]=3 1871 B14R2.5443 CC(=O)[C@@H]1C[C@H]1c2ccccc2Cl 1P028743 [0,1,0,1,0,0|1,0,0]=3 1872 B14R2.5443 ClC(=O)[C@@H]1C[C@H]1c2ccccc2Cl 1P028XGE [0,1,0,1,0,0|2,0,0]=4 1873 B14R2.5443 OC(=O)C1CC1c2ccccc2Br 1P00GAEW [0,1,0,1,0,0|2,0,0]=4 1874 B14R2.5443 OC(=O)C1CC1c2ccccc2C 1P00FGR6 [0,1,0,1,0,0|2,0,0]=4 1875 B14R2.5443 OC(=O)C1CC1c2ccccc2Cl 1P003F84 [0,1,0,1,0,0|2,0,0]=4 1876 B14R2.5443 OC(=O)C1CC1c2ccccc2F 1P003F8F [0,1,0,1,0,0|2,0,0]=4 1877 B14R2.5443 OC(=O)[C@@H]1C[C@H]1c2ccccc2Cl 1P01C1V8 [0,1,0,1,0,0|2,0,0]=4 1878 B14R2.5443 OC(=O)[C@@H]1C[C@H]1c2ccccc2F 1P01DXZW [0,1,0,1,0,0|2,0,0]=4 1879 B14R2.5443 OC(=O)[C@@H]1C[C@H]1c2ccccc2O 1P027ZKW [0,1,0,1,0,0|2,0,0]=4 1880 B14R2.5443 OC(=O)[C@H]1C[C@@H]1c2ccccc2Br 1P01DXV4 [0,1,0,1,0,0|2,0,0]=4 1881 B14R2.8032 CC(=O)N1CCc2c1cccc2N 1P00ACTV [0,1,0,1,0,0|1,0,0]=3 1882 B14R2.8032 CC(=O)N1CCc2c1cccc2O 1P002G31 [0,1,0,1,0,0|1,0,0]=3 1883 B14R2.8032 OC(=O)C1CCc2c1cccc2Br 1P00FM77 [0,1,0,1,0,0|2,0,0]=4 1884 B14R2.8032 OC(=O)C1CCc2c1cccc2Cl 1P00FLUB [0,1,0,1,0,0|2,0,0]=4 1885 B14R2.8032 OC(=O)C1CCc2c1cccc2F 1P027YGD [0,1,0,1,0,0|2,0,0]=4 1886 B14R2.28454 O=C1CCCc2c(C1)cccc2O 1P028G8E [0,1,0,1,0,0|1,0,0]=3 1887 B14R2.28454 O=C1CCCc2c(N1)cccc2Br 1P00FH6X [0,1,0,1,0,0|2,0,0]=4 1888 B14R2.28454 O=C1CCCc2c(N1)cccc2Cl 1P01A6XH [0,1,0,1,0,0|2,0,0]=4 1889 B14R2.28454 O=C1CCCc2c(N1)cccc2F 1P001DK8 [0,1,0,1,0,0|2,0,0]=4 1890 B14R2.28454 O=C1CCCc2c(N1)cccc2O 1P005H2P [0,1,0,1,0,0|2,0,0]=4 1891 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1c2ccccc2 1P001TO4 [0,1,0,1,0,0|2,0,0]=4 1892 B14R2.598 C[C@H]1NC(=O)O[C@H]1c2ccccc2 1P003CDN [0,1,0,1,0,0|2,0,0]=4 1893 B14R2.598 O=C1NC(=O)CC1c2ccccc2 1P00L36K [0,1,0,1,0,0|1,0,1]=4 1894 B14R2.598 O=C1OC(=O)CC1c2ccccc2 1P003U6U [0,1,0,1,0,0|0,0,1]=3 1895 B14R2.598 O=C1OC(=O)C[C@H]1c2ccccc2 1P000DEV [0,1,0,1,0,0|0,0,1]=3 1896 B14R2.598 O=C1OC(=O)N[C@H]1c2ccccc2 1P01DFBT [0,1,0,1,0,0|1,0,1]=4 1897 B14R2.642 O=C1Cc2c(N1C(=O)C)cccc2 1P00BEL9 [0,1,0,1,0,0|1,0,1]=4 1898 B14R2.4586 OC(=O)C1C(C1C)c2ccccc2 1P01BI1V [0,1,0,1,0,0|2,0,0]=4 1899 B14R2.4586 OC(=O)[C@H]1[C@@H]([C@@H]1F)c2ccccc2 1P028Y6I [0,1,0,1,0,0|2,0,0]=4 1900 B14R2.31 O=C1CCC1OCc2ccccc2 1P002J3D [0,1,0,1,0,0|2,0,0]=4 1901 B14R2.260 CC1CC(NC1=O)c2ccccc2 1P028CSW [0,1,0,1,0,0|2,0,0]=4 1902 B14R2.260 NC1CC(NC1=O)c2ccccc2 1P028GXX [0,1,0,1,0,0|2,0,0]=4 1903 B14R2.260 NC1CC(OC1=O)c2ccccc2 1P0283K1 [0,1,0,1,0,0|2,0,0]=4 1904 B14R2.260 N[C@@H]1C[C@@H](NC1=O)c2ccccc2 1P028KY1 [0,1,0,1,0,0|2,0,0]=4 1905 B14R2.260 O=C1CC(CC1=O)c2ccccc2 1P02877F [0,1,0,1,0,0|1,0,0]=3 1906 B14R2.260 O=C1CC(CC1=O)c2cccnc2 1P028MNI [0,1,0,1,0,0|2,0,0]=4 1907 B14R2.260 OC1CC(NC1=O)c2ccccc2 1P028M8W [0,1,0,1,0,0|2,0,0]=4 1908 B14R2.741 CN1CCc2c(CC1=O)cccc2 1P005MW1 [0,1,0,1,0,0|1,0,0]=3 1909 B14R2.741 O=C1Nc2ccccc2CCC1Br 1P003JHW [0,1,0,1,0,0|2,0,0]=4 1910 B14R2.741 O=C1Nc2ccccc2CCC1Cl 1P008GAF [0,1,0,1,0,0|2,0,0]=4 1911 B14R2.741 O=C1Nc2ccccc2CCC1N 1P004QLU [0,1,0,1,0,0|2,0,0]=4 1912 B14R2.741 O=C1Nc2ccccc2CCC1O 1P01C5ED [0,1,0,1,0,0|2,0,0]=4 1913 B14R2.741 O=C1Nc2ccccc2CC[C@@H]1N 1P009JJQ [0,1,0,1,0,0|2,0,0]=4 1914 B14R2.786 OC(=O)[C@@]1(C)C[C@@H]1c2ccccc2 1P01C7Q7 [0,1,0,1,0,0|2,0,0]=4 1915 B14R2.786 OC(=O)[C@@]1(F)C[C@@H]1c2ccccc2 1P01ELHQ [0,1,0,1,0,0|2,0,0]=4 1916 B14R2.786 OC(=O)[C@]1(C)C[C@H]1c2ccccc2 1P01ALS1 [0,1,0,1,0,0|2,0,0]=4 1917 B14R2.786 OC(=O)[C@]1(F)C[C@H]1c2ccccc2 1P01FJH4 [0,1,0,1,0,0|2,0,0]=4 1918 B14R2.9535 OC(=O)C1(C)CCc2c1cccc2 1P01AFJQ [0,1,0,1,0,0|2,0,0]=4 1919 B14R2.9535 OC(=O)C1(N)CCc2c1cccc2 1P0075ST [0,1,0,1,0,0|2,0,0]=4 1920 B14R2.9535 OC(=O)C1(N)CCc2c1cccc2 1P019Y1B [0,1,0,1,0,0|2,0,0]=4 1921 B14R2.20 O=C1CCC(C1)c2ccc(cc2)C 1P004LQP [0,1,0,1,0,0|1,0,0]=3 1922 B14R2.20 O=C1CCC(C1)c2ccc(cc2)Cl 1P000GT7 [0,1,0,1,0,0|1,0,0]=3 1923 B14R2.20 O=C1CCC(C1)c2ccc(cc2)F 1P001WP2 [0,1,0,1,0,0|1,0,0]=3 1924 B14R2.20 O=C1CCC(C1)c2ccc(cc2)N 1P028JV1 [0,1,0,1,0,0|1,0,0]=3 1925 B14R2.20 O=C1CCC(N1)c2ccc(cc2)Br 1P002JVE [0,1,0,1,0,0|2,0,0]=4 1926 B14R2.20 O=C1CCC(N1)c2ccc(cc2)C 1P01K25G [0,1,0,1,0,0|2,0,0]=4 1927 B14R2.20 O=C1CCC(N1)c2ccc(cc2)F 1P01BUDR [0,1,0,1,0,0|2,0,0]=4 1928 B14R2.20 O=C1CCC(N1)c2ccc(cc2)N 1P01AV7D [0,1,0,1,0,0|2,0,0]=4 1929 B14R2.20 O=C1CCC(N1)c2ccc(cc2)O 1P01BIKP [0,1,0,1,0,0|2,0,0]=4 1930 B14R2.20 O=C1CCN(C1)c2ccc(cc2)F 1P00DD89 [0,1,0,1,0,0|2,0,0]=4 1931 B14R2.20 O=C1COC(C1)c2ccc(cc2)Br 1P028F28 [0,1,0,1,0,0|2,0,0]=4 1932 B14R2.20 O=C1NCC(C1)c2ccc(cc2)Br 1P00C3WS [0,1,0,1,0,0|1,0,0]=3 1933 B14R2.20 O=C1NCC(C1)c2ccc(cc2)Cl 1P006Y65 [0,1,0,1,0,0|1,0,0]=3 1934 B14R2.20 O=C1NCC(C1)c2ccc(cc2)F 1P002TJS [0,1,0,1,0,0|1,0,0]=3 1935 B14R2.20 O=C1NCC(C1)c2ccc(cc2)N 1P01K4PN [0,1,0,1,0,0|1,0,0]=3 1936 B14R2.20 O=C1NCC(C1)c2ccc(cc2)O 1P01AQ1H [0,1,0,1,0,0|1,0,0]=3 1937 B14R2.20 O=C1NCC(O1)c2ccc(cc2)Br 1P00IILB [0,1,0,1,0,0|2,0,0]=4 1938 B14R2.20 O=C1NCC(O1)c2ccc(cc2)C 1P028WR3 [0,1,0,1,0,0|2,0,0]=4 1939 B14R2.20 O=C1NC[C@@H](C1)c2ccc(cc2)F 1P01R4J7 [0,1,0,1,0,0|1,0,0]=3 1940 B14R2.20 O=C1NC[C@H](C1)c2ccc(cc2)F 1P01Z9PB [0,1,0,1,0,0|1,0,0]=3 1941 B14R2.20 O=C1OCC(N1)c2ccc(cc2)Br 1P00GAHJ [0,1,0,1,0,0|1,0,0]=3 1942 B14R2.20 O=C1OCC(N1)c2ccc(cc2)O 1P028OTW [0,1,0,1,0,0|1,0,0]=3 1943 B14R2.20 O=C1OC[C@H](N1)c2ccc(cc2)Cl 1P000FKJ [0,1,0,1,0,0|1,0,0]=3 1944 B14R2.20 O=C1ON=C(C1)c2ccc(cc2)F 1P007J5Q [0,1,0,1,0,0|1,0,1]=4 1945 B14R2.380 O=C1CCCc2c(C1)cc(Br)cc2 1P00HYG7 [0,1,0,1,0,0|1,0,0]=3 1946 B14R2.380 O=C1CCCc2c(N1)cc(Br)cc2 1P01BF2V [0,1,0,1,0,0|2,0,0]=4 1947 B14R2.380 O=C1CCCc2c(N1)cc(C)cc2 1P004QLS [0,1,0,1,0,0|2,0,0]=4 1948 B14R2.380 O=C1CCCc2c(N1)cc(N)cc2 1P006ZMP [0,1,0,1,0,0|2,0,0]=4 1949 B14R2.380 Oc1cc2CC(=O)NCCc2cc1 1P01EN3C [0,1,0,1,0,0|1,0,0]=3 1950 B14R2.947 O=C1CC(N1)Oc2ccc(cc2)Br 1P01C38J [0,1,0,1,0,0|2,0,0]=4 1951 B14R2.4402 CC(=O)C1CC1c2ccc(cc2)F 1P00IRHD [0,1,0,1,0,0|1,0,0]=3 1952 B14R2.4402 CC(=O)[C@@H]1C[C@H]1c2ccc(cc2)F 1P029157 [0,1,0,1,0,0|1,0,0]=3 1953 B14R2.4402 ClC(=O)[C@@H]1C[C@H]1c2ccc(cc2)F 1P0290P9 [0,1,0,1,0,0|2,0,0]=4 1954 B14R2.4402 NC(=O)C1CC1c2ccc(cc2)F 1P01XL8E [0,1,0,1,0,0|2,0,0]=4 1955 B14R2.4402 OC(=O)C1CC1c2ccc(cc2)Br 1P00G7HH [0,1,0,1,0,0|2,0,0]=4 1956 B14R2.4402 OC(=O)C1CC1c2ccc(cc2)C 1P00GSQA [0,1,0,1,0,0|2,0,0]=4 1957 B14R2.4402 OC(=O)C1CC1c2ccc(cc2)Cl 1P00GSRE [0,1,0,1,0,0|2,0,0]=4 1958 B14R2.4402 OC(=O)C1CC1c2ccc(cc2)F 1P003FCZ [0,1,0,1,0,0|2,0,0]=4 1959 B14R2.4402 OC(=O)[C@@H]1C[C@@H]1c2ccc(cc2)F 1P024TSW [0,1,0,1,0,0|2,0,0]=4 1960 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1P00EJXD [0,1,0,1,0,0|2,0,0]=4 1961 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Cl 1P01C3UR [0,1,0,1,0,0|2,0,0]=4 1962 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(cc2)F 1P01B8AT [0,1,0,1,0,0|2,0,0]=4 1963 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(cc2)N 1P01C0P6 [0,1,0,1,0,0|2,0,0]=4 1964 B14R2.4402 OC(=O)[C@H]1C[C@@H]1c2ccc(cc2)Br 1P0093B9 [0,1,0,1,0,0|2,0,0]=4 1965 B14R2.4402 OC(=O)[C@H]1C[C@@H]1c2ccc(cc2)Cl 1P01UOKA [0,1,0,1,0,0|2,0,0]=4 1966 B14R2.4402 OC(=O)[C@H]1C[C@@H]1c2ccc(cc2)F 1P01KYW6 [0,1,0,1,0,0|2,0,0]=4 1967 B14R2.4402 OC(=O)[C@H]1C[C@@H]1c2ccc(cc2)O 1P00IL85 [0,1,0,1,0,0|2,0,0]=4 1968 B14R2.5816 Nc1ccc2c(c1)N(CC2)C(=O)C 1P00EA67 [0,1,0,1,0,0|1,0,0]=3 1969 B14R2.5816 Nc1ccc2c(c1)N(CC2)C(=O)N 1P01BG28 [0,1,0,1,0,0|2,0,0]=4 1970 B14R2.5816 OC(=O)C1CCc2c1cc(Br)cc2 1P00DR6A [0,1,0,1,0,0|2,0,0]=4 1971 B14R2.5816 OC(=O)C1CCc2c1cc(C)cc2 1P02839L [0,1,0,1,0,0|2,0,0]=4 1972 B14R2.5816 OC(=O)C1CCc2c1cc(Cl)cc2 1P00DICQ [0,1,0,1,0,0|2,0,0]=4 1973 B14R2.5816 OC(=O)C1CCc2c1cc(F)cc2 1P00IHH5 [0,1,0,1,0,0|2,0,0]=4 1974 B14R2.8 NC[C@H]1OC[C@H](C1)c2ccccc2 1P01B2MV [0,1,0,1,0,0|1,0,1]=4 1975 B14R2.95 BrCC(=O)N1CCc2c1cccc2 1P00FM9J [0,1,0,1,0,0|1,0,0]=3 1976 B14R2.95 C=CC(=O)N1CCc2c1cccc2 1P01BAJ8 [0,1,0,1,0,0|1,0,1]=4 1977 B14R2.95 CNC(=O)C1CCc2c1cccc2 1P01B6LR [0,1,0,1,0,0|1,0,0]=3 1978 B14R2.95 COC(=O)C1=CCc2c1cccc2 1P00I8AE [0,1,0,1,0,0|1,0,1]=4 1979 B14R2.95 COC(=O)C1CCc2c1cccc2 1P002TQU [0,1,0,1,0,0|1,0,0]=3 1980 B14R2.95 COC(=O)C1CCc2c1cncc2 1P020NDJ [0,1,0,1,0,0|2,0,0]=4 1981 B14R2.95 COC(=O)C1CNc2c1cccc2 1P0092V9 [0,1,0,1,0,0|2,0,0]=4 1982 B14R2.95 COC(=O)C1CNc2c1cccc2 1P00D8IT [0,1,0,1,0,0|2,0,0]=4 1983 B14R2.95 COC(=O)N1CCc2c1cccc2 1P00GVJG [0,1,0,1,0,0|1,0,0]=3 1984 B14R2.95 ClCC(=O)N1CCc2c1cccc2 1P003HAR [0,1,0,1,0,0|1,0,0]=3 1985 B14R2.95 NCC(=O)N1CCc2c1cccc2 1P009ZA0 [0,1,0,1,0,0|1,0,0]=3 1986 B14R2.95 OCC(=O)N1CCc2c1cccc2 1P01A9GI [0,1,0,1,0,0|1,0,0]=3 1987 B14R2.279 CC1CCCc2c(C1=O)cccc2 1P01A7GF [0,1,0,1,0,0|1,0,1]=4 1988 B14R2.279 FC1=CCCc2c(C1=O)cccc2 1P01DZ3R [0,1,0,1,0,0|2,0,0]=4 1989 B14R2.279 O=C1CCCc2c(N1C)cccc2 1P01A5YE [0,1,0,1,0,0|1,0,0]=3 1990 B14R2.279 O=C1CCNc2c(N1C)cccc2 1P00CN35 [0,1,0,1,0,0|2,0,0]=4 1991 B14R2.279 O=C1CNCc2c(N1C)cccc2 1P01B60Q [0,1,0,1,0,0|2,0,0]=4 1992 B14R2.279 O=C1NCCc2c(C1N)cccc2 1P006WKX [0,1,0,1,0,0|1,0,0]=3 1993 B14R2.279 O=C1NCCc2c(C1N)cccc2 1P01XCJL [0,1,0,1,0,0|1,0,0]=3 1994 B14R2.958 BrCC(=O)[C@@H]1C[C@H]1c2ccccc2 1P028B3F [0,1,0,1,0,0|1,0,0]=3 1995 B14R2.958 COC(=O)C1NC1c2ccccc2 1P00I0E2 [0,1,0,1,0,0|2,0,0]=4 1996 B14R2.958 COC(=O)C1OC1c2ccccc2 1P00CL3J [0,1,0,1,0,0|2,0,0]=4 1997 B14R2.3459 NCC1(C)OCCc2c1cccc2 1P01BSL7 [0,1,0,1,0,0|1,0,1]=4 1998 B14R2.3459 O=CC1(C)OCCc2c1cccc2 1P01BJWI [0,1,0,1,0,0|0,0,1]=3 1999 B14R2.4514 CN1C(=O)CNC1c2ccccc2 1P01B22B [0,1,0,1,0,0|2,0,0]=4 2000 B14R2.4514 NN1C(=O)CCC1c2ccccc2 1P0089IA [0,1,0,1,0,0|2,0,0]=4 2001 B14R2.4514 O=C1CC[C@H](N1C)c2cccnc2 1P00DF61 [0,1,0,1,0,0|2,0,0]=4 2002 B10R1.18 BrC(=C)Cc1ccccc1 1P01EX2V [0,0,0,0,2,0|1,0,1]=4 2003 B10R1.18 CC(=C)Cc1ccccc1 1P003I3I [0,0,0,0,2,0|1,0,0]=3 2004 B10R1.18 CC(=Cc1ccccc1)C 1P003I29 [0,0,0,0,2,0|1,0,1]=4 2005 B10R1.18 CC(=O)C[n+]1ccccc1 1P003ECO [0,0,0,0,2,0|1,0,0]=3 2006 B10R1.18 CC(=O)Cc1ccccn1 1P003A4L [0,0,0,0,2,0|1,0,0]=3 2007 B10R1.18 CC(=O)Cc1cccnc1 1P00EAER [0,0,0,0,2,0|1,0,0]=3 2008 B10R1.18 CC(=O)Cc1cccnc1 1P00FGXO [0,0,0,0,2,0|1,0,0]=3 2009 B10R1.18 CC(=O)Cc1ccncc1 1P003MHB [0,0,0,0,2,0|1,0,0]=3 2010 B10R1.18 CC(=O)Cc1ccncc1 1P006BSJ [0,0,0,0,2,0|1,0,0]=3 2011 B10R1.18 CC(=O)Cc1cnccn1 1P005PPF [0,0,0,0,2,0|2,0,0]=4 2012 B10R1.18 CC(=O)Nc1ccccc1 1P0034W2 [0,0,0,0,2,0|1,0,0]=3 2013 B10R1.18 CC(=O)Nc1ccccn1 1P003GRA [0,0,0,0,2,0|2,0,0]=4 2014 B10R1.18 CC(=O)Nc1cccnc1 1P003J9F [0,0,0,0,2,0|2,0,0]=4 2015 B10R1.18 CC(=O)Nc1ccncc1 1P00DD6H [0,0,0,0,2,0|2,0,0]=4 2016 B10R1.18 CC(=O)Oc1ccccc1 1P00170L [0,0,0,0,2,0|0,0,0]=2 2017 B10R1.18 CC(=O)Oc1cccnc1 1P0025SK [0,0,0,0,2,0|1,0,0]=3 2018 B10R1.18 CC(=O)Sc1ccccc1 1P003UVL [0,0,0,0,2,0|0,1,0]=3 2019 B10R1.18 CC(=S)Nc1ccccc1 1P003V8U [0,0,0,0,2,0|1,1,0]=4 2020 B10R1.18 CC(Cc1ccccc1)Br 1P002LSK [0,0,0,0,2,0|1,0,1]=4 2021 B10R1.18 CC(Cc1ccccc1)C 1P003RJR [0,0,0,0,2,0|1,0,1]=4 2022 B10R1.18 CC(Cc1ccccc1)O 1P001LSG [0,0,0,0,2,0|0,0,2]=4 2023 B10R1.18 CC(Oc1ccccc1)C 1P00I5NQ [0,0,0,0,2,0|1,0,1]=4 2024 B10R1.18 CN(Cc1ccccc1)C 1P003T1M [0,0,0,0,2,0|2,0,0]=4 2025 B10R1.18 CN(Cc1ccccc1)O 1P0287XD [0,0,0,0,2,0|1,0,1]=4 2026 B10R1.18 CP(Cc1ccccc1)C 1P001BOC [0,0,0,0,2,0|2,0,0]=4 2027 B10R1.18 C[C@@H](Cc1ccccc1)O 1P003UMM [0,0,0,0,2,0|0,0,2]=4 2028 B10R1.18 C[C@H](Cc1ccccc1)O 1P001PQQ [0,0,0,0,2,0|0,0,2]=4 2029 B10R1.18 C[SiH](Cc1ccccc1)C 1P001U89 [0,0,0,0,2,0|1,1,0]=4 2030 B10R1.18 ClC(=O)Cc1ccccc1 1P0035XP [0,0,0,0,2,0|1,0,0]=3 2031 B10R1.18 ClC(=O)Nc1ccccc1 1P01B2IA [0,0,0,0,2,0|2,0,0]=4 2032 B10R1.18 ClC(=S)Oc1ccccc1 1P0002M7 [0,0,0,0,2,0|1,1,0]=4 2033 B10R1.18 NC(=N)Cc1ccccc1 1P002QJI [0,0,0,0,2,0|2,0,0]=4 2034 B10R1.18 NC(=O)C[n+]1ccccc1 1P003DIN [0,0,0,0,2,0|2,0,0]=4 2035 B10R1.18 NC(=O)Cc1ccccc1 1P0032QS [0,0,0,0,2,0|1,0,0]=3 2036 B10R1.18 NC(=O)Cc1ccccn1 1P003UJ1 [0,0,0,0,2,0|2,0,0]=4 2037 B10R1.18 NC(=O)Cc1cccnc1 1P003FL2 [0,0,0,0,2,0|2,0,0]=4 2038 B10R1.18 NC(=O)Cc1ccncc1 1P003UJ8 [0,0,0,0,2,0|2,0,0]=4 2039 B10R1.18 NC(=O)Nc1ccccc1 1P00E9LB [0,0,0,0,2,0|2,0,0]=4 2040 B10R1.18 NC(=O)Oc1ccccc1 1P003U5L [0,0,0,0,2,0|1,0,0]=3 2041 B10R1.18 NC(=S)Cc1ccccc1 1P0032QT [0,0,0,0,2,0|1,1,0]=4 2042 B10R1.18 NS(=O)Cc1ccccc1 1P01BG08 [0,0,0,0,2,0|2,0,0]=4 2043 B10R1.18 OC(=O)C[n+]1ccccc1 1P01EUQ6 [0,0,0,0,2,0|2,0,0]=4 2044 B10R1.18 OC(=O)Cc1ccccc1 1P003OC7 [0,0,0,0,2,0|1,0,0]=3 2045 B10R1.18 OC(=O)Cc1ccccn1 1P001WD0 [0,0,0,0,2,0|2,0,0]=4 2046 B10R1.18 OC(=O)Cc1cccnc1 1P00348U [0,0,0,0,2,0|2,0,0]=4 2047 B10R1.18 OC(=O)Cc1cccnc1 1P00I9F0 [0,0,0,0,2,0|2,0,0]=4 2048 B10R1.18 OC(=O)Cc1ccncc1 1P0034LT [0,0,0,0,2,0|2,0,0]=4 2049 B10R1.18 OC(=O)Cc1ccncc1 1P00BCK4 [0,0,0,0,2,0|2,0,0]=4 2050 B10R1.18 OC(=O)Nc1ccccc1 1P007CT0 [0,0,0,0,2,0|2,0,0]=4 2051 B10R1.18 OS(=O)Cc1ccccc1 1P01C4HC [0,0,0,0,2,0|2,0,0]=4 2052 B10R1.18 [O-]C(=O)C[n+]1ccccc1 1P00EKK8 [0,0,0,0,2,0|2,0,0]=4 2053 B10R1.18 [O-]S(=O)Cc1ccccc1 1P01BCPB [0,0,0,0,2,0|2,0,0]=4 2054 B10R1.18 [O-][N+](=O)Cc1ccccc1 1P019DUF [0,0,0,0,2,0|2,0,0]=4 2055 B10R1.66 CC(=O)CCc1ccco1 1P00667T [0,0,0,0,2,0|1,0,0]=3 2056 B10R1.66 CC(=O)CCc1cscc1 1P01ACGI [0,0,0,0,2,0|1,0,0]=3 2057 B10R1.66 CC(=O)CCc1nccs1 1P00H5XS [0,0,0,0,2,0|2,0,0]=4 2058 B10R1.66 CC(=O)CCn1cccn1 1P00GWCW [0,0,0,0,2,0|2,0,0]=4 2059 B10R1.66 CC(=O)NCc1ccco1 1P00J0T7 [0,0,0,0,2,0|2,0,0]=4 2060 B10R1.66 CC(=O)NCc1cccs1 1P00CBVA [0,0,0,0,2,0|2,0,0]=4 2061 B10R1.66 CC(=O)OC=C1C=CC=C1 1P01DQRM [0,0,0,0,2,0|0,0,1]=3 2062 B10R1.66 CC(=O)OCc1ccco1 1P003R5Z [0,0,0,0,2,0|1,0,0]=3 2063 B10R1.66 CC(=O)SCc1ccco1 1P0012TI [0,0,0,0,2,0|1,1,0]=4 2064 B10R1.66 CC(=S)OCc1ccco1 1P020IQY [0,0,0,0,2,0|1,1,0]=4 2065 B10R1.66 OC(=O)CCc1c[nH]cc1 1P0080G3 [0,0,0,0,2,0|2,0,0]=4 2066 B10R1.66 OC(=O)CCc1ccc[nH]1 1P00CJ7G [0,0,0,0,2,0|2,0,0]=4 2067 B10R1.66 OC(=O)CCc1ccco1 1P0033XL [0,0,0,0,2,0|2,0,0]=4 2068 B10R1.66 OC(=O)CCc1cccs1 1P00IB02 [0,0,0,0,2,0|2,0,0]=4 2069 B10R1.66 OC(=O)CCc1cocc1 1P00H4YT [0,0,0,0,2,0|2,0,0]=4 2070 B10R1.66 OC(=O)CCc1cscc1 1P001UUQ [0,0,0,0,2,0|2,0,0]=4 2071 B10R1.66 OC(=O)CCn1cccc1 1P00360M [0,0,0,0,2,0|2,0,0]=4 2072 B14R1.422 CC(=O)NCCNCc1ccccc1 1P01AJXB [0,0,0,0,0,2|1,0,0]=3 2073 B14R1.422 NC(=O)CCNCCc1ccccc1 1P00C6GV [0,0,0,0,0,2|2,0,0]=4 2074 B14R1.422 NC(=O)CCNCCc1ccccc1 1P00J3Q2 [0,0,0,0,0,2|2,0,0]=4 2075 B14R1.422 OC(=O)CCCC#Cc1ccccc1 1P020MVZ [0,0,0,0,0,2|2,0,0]=4 2076 B14R1.422 OC(=O)CCCCCc1ccccc1 1P003NSL [0,0,0,0,0,2|2,0,0]=4 2077 B14R1.422 OC(=O)CCCCOc1ccccc1 1P003NET [0,0,0,0,0,2|2,0,0]=4 2078 B14R1.422 OC(=O)CCCNCc1ccccc1 1P00EPDZ [0,0,0,0,0,2|2,0,0]=4 2079 B14R1.422 OC(=O)CCCOCc1ccccc1 1P003LAD [0,0,0,0,0,2|2,0,0]=4 2080 B14R1.422 OC(=O)CCNCCc1ccccc1 1P01AA24 [0,0,0,0,0,2|2,0,0]=4 2081 B14R1.422 OC(=O)COCCOc1ccccc1 1P019NWM [0,0,0,0,0,2|1,0,0]=3 2082 B14R1.422 OC(=O)COC\C=C\c1ccccc1 1P01FIJ1 [0,0,0,0,0,2|1,0,1]=4 2083 B14R1.422 OC(=O)CSCCCc1ccccc1 1P019NRI [0,0,0,0,0,2|1,1,0]=4