0 B12R1.286 C=C=Cc1c[nH]c(=O)c(c1)OC 271570a_100015277604_100010125397 [0,0,0,0,0,0|1,0,3]=4 1 B12R1.286 C=C=Cc1cc(c(cn1)C)OC 271570a_100015277604_100010067687 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.286 C=C=Cc1cc(c(cn1)F)OC 271570a_100015277604_200010136270 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.286 C=C=Cc1cc(c(cn1)N)OC 271570a_100015277604_100009887741 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.286 C=C=Cc1ccc(c(c1)C#N)O 271570a_100015277604_100000687585 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.286 C=C=Cc1ccc(c(c1)C=O)O 271570a_100015277604_100000186750 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.286 C=C=Cc1ccc(c(c1)CC)Br 271570a_100015277604_100010244631 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.286 C=C=Cc1ccc(c(c1)CC)F 271570a_100015277604_100010244625 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.286 C=C=Cc1ccc(c(c1)CC)N 271570a_100015277604_100000686106 [0,0,0,0,0,0|2,0,2]=4 9 B12R1.286 C=C=Cc1ccc(c(c1)CC)O 271570a_100015277604_100012338938 [0,0,0,0,0,0|1,0,2]=3 10 B12R1.286 C=C=Cc1ccc(c(c1)CN)O 271570a_100015277604_100000730032 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.286 C=C=Cc1ccc(c(c1)CO)O 271570a_100015277604_100000184703 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.286 C=C=Cc1ccc(c(c1)NC)C 271570a_100015277604_100020629602 [0,0,0,0,0,0|2,0,2]=4 13 B12R1.286 C=C=Cc1ccc(c(c1)NC)F 271570a_100015277604_100011314990 [0,0,0,0,0,0|2,0,2]=4 14 B12R1.286 C=C=Cc1ccc(c(c1)NC)N 271570a_100015277604_100000694363 [0,0,0,0,0,0|2,0,2]=4 15 B12R1.286 C=C=Cc1ccc(c(c1)OC)Br 271570a_100015277604_100012353699 [0,0,0,0,0,0|1,0,2]=3 16 B12R1.286 C=C=Cc1ccc(c(c1)OC)C 271570a_100015277604_100011830276 [0,0,0,0,0,0|1,0,2]=3 17 B12R1.286 C=C=Cc1ccc(c(c1)OC)Cl 271570a_100015277604_100011356853 [0,0,0,0,0,0|1,0,2]=3 18 B12R1.286 C=C=Cc1ccc(c(c1)OC)F 271570a_100015277604_100011934186 [0,0,0,0,0,0|1,0,2]=3 19 B12R1.286 C=C=Cc1ccc(c(c1)OC)N 271570a_100015277604_100011279103 [0,0,0,0,0,0|1,0,2]=3 20 B12R1.286 C=C=Cc1ccc(c(c1)OC)O 271570a_100015277604_100000694246 [0,0,0,0,0,0|0,0,2]=2 21 B12R1.286 C=C=Cc1ccc(c(c1)SC)F 271570a_100015277604_100010341305 [0,0,0,0,0,0|1,1,2]=4 22 B12R1.286 C=C=Cc1ccc(c(n1)OC)N 271570a_100015277604_100000687816 [0,0,0,0,0,0|2,0,2]=4 23 B12R1.286 C=C=Cc1ccc(c(n1)OC)O 271570a_100015277604_100010893133 [0,0,0,0,0,0|1,0,2]=3 24 B12R1.286 C=C=Cc1cnc(c(c1)OC)C 271570a_100015277604_100010254219 [0,0,0,0,0,0|2,0,2]=4 25 B12R1.286 C=C=Cc1cnc(c(c1)OC)F 271570a_100015277604_100010214931 [0,0,0,0,0,0|2,0,2]=4 26 B12R1.286 C=C=Cc1cnc(c(c1)OC)N 271570a_100015277604_106354213024 [0,0,0,0,0,0|2,0,2]=4 27 B12R1.286 C=C=Cc1cnc(c(n1)OC)O 271570a_100015277604_200010365344 [0,0,0,0,0,0|2,0,2]=4 28 B12R1.286 CC=Cc1c[nH]c(=O)c(c1)OC 271570a_100016259895_100010125397 [0,0,0,0,0,0|1,0,3]=4 29 B12R1.286 CC=Cc1cc(c(cn1)C)OC 271570a_100016259895_100010067687 [0,0,0,0,0,0|2,0,2]=4 30 B12R1.286 CC=Cc1cc(c(cn1)F)OC 271570a_100016259895_200010136270 [0,0,0,0,0,0|2,0,2]=4 31 B12R1.286 CC=Cc1cc(c(cn1)N)OC 271570a_100016259895_100009887741 [0,0,0,0,0,0|2,0,2]=4 32 B12R1.286 CC=Cc1ccc(c(c1)C#N)O 271570a_100016259895_100000687585 [0,0,0,0,0,0|2,0,2]=4 33 B12R1.286 CC=Cc1ccc(c(c1)C=O)O 271570a_100016259895_100000186750 [0,0,0,0,0,0|2,0,2]=4 34 B12R1.286 CC=Cc1ccc(c(c1)CC)Br 271570a_100016259895_100010244631 [0,0,0,0,0,0|2,0,2]=4 35 B12R1.286 CC=Cc1ccc(c(c1)CC)F 271570a_100016259895_100010244625 [0,0,0,0,0,0|2,0,2]=4 36 B12R1.286 CC=Cc1ccc(c(c1)CC)N 271570a_100016259895_100000686106 [0,0,0,0,0,0|2,0,2]=4 37 B12R1.286 CC=Cc1ccc(c(c1)CC)O 271570a_100016259895_100012338938 [0,0,0,0,0,0|1,0,2]=3 38 B12R1.286 CC=Cc1ccc(c(c1)CN)O 271570a_100016259895_100000730032 [0,0,0,0,0,0|2,0,2]=4 39 B12R1.286 CC=Cc1ccc(c(c1)CO)O 271570a_100016259895_100000184703 [0,0,0,0,0,0|2,0,2]=4 40 B12R1.286 CC=Cc1ccc(c(c1)NC)C 271570a_100016259895_100020629602 [0,0,0,0,0,0|2,0,2]=4 41 B12R1.286 CC=Cc1ccc(c(c1)NC)F 271570a_100016259895_100011314990 [0,0,0,0,0,0|2,0,2]=4 42 B12R1.286 CC=Cc1ccc(c(c1)NC)N 271570a_100016259895_100000694363 [0,0,0,0,0,0|2,0,2]=4 43 B12R1.286 CC=Cc1ccc(c(c1)OC)Br 271570a_100016259895_100012353699 [0,0,0,0,0,0|1,0,2]=3 44 B12R1.286 CC=Cc1ccc(c(c1)OC)C 271570a_100016259895_100011830276 [0,0,0,0,0,0|1,0,2]=3 45 B12R1.286 CC=Cc1ccc(c(c1)OC)Cl 271570a_100016259895_100011356853 [0,0,0,0,0,0|1,0,2]=3 46 B12R1.286 CC=Cc1ccc(c(c1)OC)F 271570a_100016259895_100011934186 [0,0,0,0,0,0|1,0,2]=3 47 B12R1.286 CC=Cc1ccc(c(c1)OC)N 271570a_100016259895_100011279103 [0,0,0,0,0,0|1,0,2]=3 48 B12R1.286 CC=Cc1ccc(c(c1)OC)O 271570a_100016259895_100000694246 [0,0,0,0,0,0|0,0,2]=2 49 B12R1.286 CC=Cc1ccc(c(c1)SC)F 271570a_100016259895_100010341305 [0,0,0,0,0,0|1,1,2]=4 50 B12R1.286 CC=Cc1ccc(c(n1)OC)N 271570a_100016259895_100000687816 [0,0,0,0,0,0|2,0,2]=4 51 B12R1.286 CC=Cc1ccc(c(n1)OC)O 271570a_100016259895_100010893133 [0,0,0,0,0,0|1,0,2]=3 52 B12R1.286 CC=Cc1cnc(c(c1)OC)C 271570a_100016259895_100010254219 [0,0,0,0,0,0|2,0,2]=4 53 B12R1.286 CC=Cc1cnc(c(c1)OC)F 271570a_100016259895_100010214931 [0,0,0,0,0,0|2,0,2]=4 54 B12R1.286 CC=Cc1cnc(c(c1)OC)N 271570a_100016259895_106354213024 [0,0,0,0,0,0|2,0,2]=4 55 B12R1.286 CC=Cc1cnc(c(n1)OC)O 271570a_100016259895_200010365344 [0,0,0,0,0,0|2,0,2]=4 56 B12R1.286 CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210202 [0,0,0,0,0,0|2,0,2]=4 57 B12R1.286 CCNc1ccc(c(c1)OC)Br 34a_100000765947_100000210202 [0,0,0,0,0,0|2,0,2]=4 58 B12R1.286 CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210202 [0,0,0,0,0,0|2,0,2]=4 59 B12R1.286 CCNc1ccc(c(c1)OC)C 34a_100011279678_100000210202 [0,0,0,0,0,0|2,0,2]=4 60 B12R1.286 CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210202 [0,0,0,0,0,0|2,0,2]=4 61 B12R1.286 CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000210202 [0,0,0,0,0,0|2,0,2]=4 62 B12R1.286 CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210202 [0,0,0,0,0,0|2,0,2]=4 63 B12R1.286 CCNc1ccc(c(c1)OC)F 34a_100000701188_100000210202 [0,0,0,0,0,0|2,0,2]=4 64 B12R1.286 CCNc1ccc(c(c1)OC)I 34a_100000746945_100000210202 [0,0,0,0,0,0|2,0,2]=4 65 B12R1.286 CCNc1ccc(c(c1)OC)O 34a_100000726020_100000210202 [0,0,0,0,0,0|1,0,2]=3 66 B12R1.286 CCOc1ccc(c(c1)OC)Br 34a_100011827694_100000210202 [0,0,0,0,0,0|2,0,2]=4 67 B12R1.286 CCOc1ccc(c(c1)OC)Br 7a_100011827694_100000210202 [0,0,0,0,0,0|2,0,2]=4 68 B12R1.286 CCOc1ccc(c(c1)OC)C 34a_100009865632_100000210202 [0,0,0,0,0,0|2,0,2]=4 69 B12R1.286 CCOc1ccc(c(c1)OC)C 7a_100009865632_100000210202 [0,0,0,0,0,0|2,0,2]=4 70 B12R1.286 CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000210202 [0,0,0,0,0,0|2,0,2]=4 71 B12R1.286 CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000210202 [0,0,0,0,0,0|2,0,2]=4 72 B12R1.286 CCOc1ccc(c(c1)OC)F 34a_100012001760_100000210202 [0,0,0,0,0,0|2,0,2]=4 73 B12R1.286 CCOc1ccc(c(c1)OC)F 7a_100012001760_100000210202 [0,0,0,0,0,0|2,0,2]=4 74 B12R1.286 CCOc1ccc(c(c1)OC)N 34a_100015326901_100000210202 [0,0,0,0,0,0|2,0,2]=4 75 B12R1.286 CCOc1ccc(c(c1)OC)N 7a_100015326901_100000210202 [0,0,0,0,0,0|2,0,2]=4 76 B12R1.286 CCSc1ccc(c(c1)CC)O 62a_100000210202_100012338938 [0,0,0,0,0,0|2,0,2]=4 77 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100000210202_100012353699 [0,0,0,0,0,0|2,0,2]=4 78 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210202 [0,0,0,0,0,0|2,0,2]=4 79 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100000210202_100011830276 [0,0,0,0,0,0|2,0,2]=4 80 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210202 [0,0,0,0,0,0|2,0,2]=4 81 B12R1.286 CCSc1ccc(c(c1)OC)Cl 62a_100000210202_100011356853 [0,0,0,0,0,0|2,0,2]=4 82 B12R1.286 CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210202 [0,0,0,0,0,0|2,0,2]=4 83 B12R1.286 CCSc1ccc(c(c1)OC)F 62a_100000210202_100011934186 [0,0,0,0,0,0|2,0,2]=4 84 B12R1.286 CCSc1ccc(c(c1)OC)F 62a_100011934186_100000210202 [0,0,0,0,0,0|2,0,2]=4 85 B12R1.286 CCSc1ccc(c(c1)OC)N 62a_100000210202_100015196925 [0,0,0,0,0,0|2,0,2]=4 86 B12R1.286 CCSc1ccc(c(c1)OC)N 62a_100011279103_100000210202 [0,0,0,0,0,0|2,0,2]=4 87 B12R1.286 CCSc1ccc(c(c1)OC)O 62a_100000210202_100000694246 [0,0,0,0,0,0|1,0,2]=3 88 B12R1.286 CCSc1ccc(c(n1)OC)O 62a_100000210202_100010893133 [0,0,0,0,0,0|2,0,2]=4 89 B12R1.286 CCc1cc(ccc1Cl)CNC 26a_100102657272_100000212063 [0,0,0,0,0,0|3,0,1]=4 90 B12R1.286 CCc1cc(ccc1F)CNC 207a_100102657272_100009840867 [0,0,0,0,0,0|3,0,1]=4 91 B12R1.286 CCc1cc(ccc1F)CNC 2230a_114873767189_200000210301 [0,0,0,0,0,0|3,0,1]=4 92 B12R1.286 CCc1cc(ccc1F)CNC 269862a_106832991636_100009840867 [0,0,0,0,0,0|3,0,1]=4 93 B12R1.286 CCc1cc(ccc1F)CNC 270004a_106832991635_100009840867 [0,0,0,0,0,0|3,0,1]=4 94 B12R1.286 CCc1cc(ccc1F)CNC 34a_114873767189_200000210301 [0,0,0,0,0,0|3,0,1]=4 95 B12R1.286 CCc1cc(ccc1F)CN[13CH3] 2230a_114873767189_200025704644 [0,0,0,0,0,0|3,0,1]=4 96 B12R1.286 CCc1cc(ccc1F)CN[13CH3] 34a_114873767189_200025704644 [0,0,0,0,0,0|3,0,1]=4 97 B12R1.286 CCc1cc(ccc1O)SCF 62a_100015361967_100012338938 [0,0,0,0,0,0|3,0,1]=4 98 B12R1.286 CNCc1ccc(c(c1)C=O)O 7a_106832991635_100000008128 [0,0,0,0,0,0|3,0,1]=4 99 B12R1.286 CNCc1ccc(c(c1)OC)Br 207a_100102657272_100010244714 [0,0,0,0,0,0|2,0,1]=3 100 B12R1.286 CNCc1ccc(c(c1)OC)Br 2230a_106832991635_100010110085 [0,0,0,0,0,0|2,0,1]=3 101 B12R1.286 CNCc1ccc(c(c1)OC)Br 26a_100102657272_100011827694 [0,0,0,0,0,0|2,0,1]=3 102 B12R1.286 CNCc1ccc(c(c1)OC)Br 270004a_106832991635_100010244714 [0,0,0,0,0,0|2,0,1]=3 103 B12R1.286 CNCc1ccc(c(c1)OC)Br 34a_100102657272_100010110085 [0,0,0,0,0,0|2,0,1]=3 104 B12R1.286 CNCc1ccc(c(c1)OC)Br 7a_106832991635_100010110085 [0,0,0,0,0,0|2,0,1]=3 105 B12R1.286 CNCc1ccc(c(c1)OC)C 207a_100102657272_100000719150 [0,0,0,0,0,0|2,0,1]=3 106 B12R1.286 CNCc1ccc(c(c1)OC)C 270004a_106832991635_100000719150 [0,0,0,0,0,0|2,0,1]=3 107 B12R1.286 CNCc1ccc(c(c1)OC)Cl 207a_100102657272_100011998524 [0,0,0,0,0,0|2,0,1]=3 108 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_100015204853_200000210301 [0,0,0,0,0,0|2,0,1]=3 109 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_106832991635_200010214485 [0,0,0,0,0,0|2,0,1]=3 110 B12R1.286 CNCc1ccc(c(c1)OC)Cl 26a_100102657272_100012186310 [0,0,0,0,0,0|2,0,1]=3 111 B12R1.286 CNCc1ccc(c(c1)OC)Cl 270004a_106832991635_100011998524 [0,0,0,0,0,0|2,0,1]=3 112 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100015204853_200000210301 [0,0,0,0,0,0|2,0,1]=3 113 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100102657272_200010214485 [0,0,0,0,0,0|2,0,1]=3 114 B12R1.286 CNCc1ccc(c(c1)OC)Cl 7a_106832991635_200010214485 [0,0,0,0,0,0|2,0,1]=3 115 B12R1.286 CNCc1ccc(c(c1)OC)F 207a_100102657272_100000692873 [0,0,0,0,0,0|2,0,1]=3 116 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_100020626639_200000210301 [0,0,0,0,0,0|2,0,1]=3 117 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_106832991635_100012349856 [0,0,0,0,0,0|2,0,1]=3 118 B12R1.286 CNCc1ccc(c(c1)OC)F 270004a_106832991635_100000692873 [0,0,0,0,0,0|2,0,1]=3 119 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100020626639_200000210301 [0,0,0,0,0,0|2,0,1]=3 120 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100102657272_100012349856 [0,0,0,0,0,0|2,0,1]=3 121 B12R1.286 CNCc1ccc(c(c1)OC)F 7a_106832991635_100012349856 [0,0,0,0,0,0|2,0,1]=3 122 B12R1.286 CNCc1ccc(c(c1)OC)O 34a_100000185554_200000210301 [0,0,0,0,0,0|1,0,1]=2 123 B12R1.286 CNCc1ccc(c(n1)OC)Br 2230a_106832991635_200010066506 [0,0,0,0,0,0|3,0,1]=4 124 B12R1.286 CNCc1ccc(c(n1)OC)Br 34a_100102657272_200010066506 [0,0,0,0,0,0|3,0,1]=4 125 B12R1.286 CNCc1ccc(c(n1)OC)Br 7a_106832991635_200010066506 [0,0,0,0,0,0|3,0,1]=4 126 B12R1.286 CNc1cc(ccc1Br)COC 34a_200013033220_200000210301 [0,0,0,0,0,0|3,0,1]=4 127 B12R1.286 COCc1cc(c(cn1)Br)OC 34a_100010999569_200000210301 [0,0,0,0,0,0|3,0,1]=4 128 B12R1.286 COCc1ccc(c(c1)N[13CH3])Br 34a_200013033220_200025704644 [0,0,0,0,0,0|3,0,1]=4 129 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100010234685_200000210301 [0,0,0,0,0,0|2,0,1]=3 130 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100138415774_100010110085 [0,0,0,0,0,0|2,0,1]=3 131 B12R1.286 COCc1ccc(c(c1)OC)Br 7a_100010234685_200000210301 [0,0,0,0,0,0|2,0,1]=3 132 B12R1.286 COCc1ccc(c(c1)OC)C 34a_100000752651_200000210301 [0,0,0,0,0,0|2,0,1]=3 133 B12R1.286 COCc1ccc(c(c1)OC)C 7a_100000752651_200000210301 [0,0,0,0,0,0|2,0,1]=3 134 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100012179228_200000210301 [0,0,0,0,0,0|2,0,1]=3 135 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100138415774_200010214485 [0,0,0,0,0,0|2,0,1]=3 136 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100000692429_200000210301 [0,0,0,0,0,0|2,0,1]=3 137 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100138415774_100012349856 [0,0,0,0,0,0|2,0,1]=3 138 B12R1.286 COCc1ccc(c(c1)OC)F 7a_100000692429_200000210301 [0,0,0,0,0,0|2,0,1]=3 139 B12R1.286 COCc1ccc(c(c1)OC)N 34a_100000087641_200000210301 [0,0,0,0,0,0|2,0,1]=3 140 B12R1.286 COCc1ccc(c(c1)SC)C 62a_200000210301_200015395492 [0,0,0,0,0,0|2,1,1]=4 141 B12R1.286 COCc1ccc(c(c1)SC)C 62a_200015395492_200000210301 [0,0,0,0,0,0|2,1,1]=4 142 B12R1.286 COCc1ccc(c(c1)SC)F 62a_200000210301_200011493689 [0,0,0,0,0,0|2,1,1]=4 143 B12R1.286 COCc1ccc(c(c1)SC)F 62a_200011493689_200000210301 [0,0,0,0,0,0|2,1,1]=4 144 B12R1.286 COCc1ccc(c(c1)S[13CH3])C 62a_200015395492_200025704644 [0,0,0,0,0,0|2,1,1]=4 145 B12R1.286 COCc1ccc(c(c1)S[13CH3])C 62a_200025704644_200015395492 [0,0,0,0,0,0|2,1,1]=4 146 B12R1.286 COCc1ccc(c(c1)S[13CH3])F 62a_200011493689_200025704644 [0,0,0,0,0,0|2,1,1]=4 147 B12R1.286 COCc1ccc(c(c1)S[13CH3])F 62a_200025704644_200011493689 [0,0,0,0,0,0|2,1,1]=4 148 B12R1.286 COCc1ccc(c(n1)OC)Br 34a_100138415774_200010066506 [0,0,0,0,0,0|3,0,1]=4 149 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 34a_100010234685_200025704644 [0,0,0,0,0,0|2,0,1]=3 150 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 7a_100010234685_200025704644 [0,0,0,0,0,0|2,0,1]=3 151 B12R1.286 COc1cc(ccc1Br)CSC 62a_100010110085_200000210301 [0,0,0,0,0,0|2,0,1]=3 152 B12R1.286 COc1cc(ccc1Br)CSC 62a_200000210301_100010110085 [0,0,0,0,0,0|2,0,1]=3 153 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_100010110085_200025704644 [0,0,0,0,0,0|2,0,1]=3 154 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100010110085 [0,0,0,0,0,0|2,0,1]=3 155 B12R1.286 COc1cc(ccc1Br)NCF 34a_100000765947_100015361967 [0,0,0,0,0,0|3,0,1]=4 156 B12R1.286 COc1cc(ccc1Br)OCF 34a_100011827694_100015361967 [0,0,0,0,0,0|3,0,1]=4 157 B12R1.286 COc1cc(ccc1Br)OCF 7a_100011827694_100015361967 [0,0,0,0,0,0|3,0,1]=4 158 B12R1.286 COc1cc(ccc1Br)SCF 62a_100012353699_100015361967 [0,0,0,0,0,0|3,0,1]=4 159 B12R1.286 COc1cc(ccc1Br)SCF 62a_100015361967_100012353699 [0,0,0,0,0,0|3,0,1]=4 160 B12R1.286 COc1cc(ccc1C)CO[13CH3] 34a_100000752651_200025704644 [0,0,0,0,0,0|2,0,1]=3 161 B12R1.286 COc1cc(ccc1C)CO[13CH3] 7a_100000752651_200025704644 [0,0,0,0,0,0|2,0,1]=3 162 B12R1.286 COc1cc(ccc1C)NCF 34a_100011279678_100015361967 [0,0,0,0,0,0|3,0,1]=4 163 B12R1.286 COc1cc(ccc1C)OCF 34a_100009865632_100015361967 [0,0,0,0,0,0|3,0,1]=4 164 B12R1.286 COc1cc(ccc1C)OCF 7a_100009865632_100015361967 [0,0,0,0,0,0|3,0,1]=4 165 B12R1.286 COc1cc(ccc1C)SCF 62a_100011830276_100015361967 [0,0,0,0,0,0|3,0,1]=4 166 B12R1.286 COc1cc(ccc1C)SCF 62a_100015361967_100011830276 [0,0,0,0,0,0|3,0,1]=4 167 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 2230a_100015204853_200025704644 [0,0,0,0,0,0|2,0,1]=3 168 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 34a_100015204853_200025704644 [0,0,0,0,0,0|2,0,1]=3 169 B12R1.286 COc1cc(ccc1Cl)CO[13CH3] 34a_100012179228_200025704644 [0,0,0,0,0,0|2,0,1]=3 170 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200000210301_200010214485 [0,0,0,0,0,0|2,0,1]=3 171 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200010214485_200000210301 [0,0,0,0,0,0|2,0,1]=3 172 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200010214485_200025704644 [0,0,0,0,0,0|2,0,1]=3 173 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_200010214485 [0,0,0,0,0,0|2,0,1]=3 174 B12R1.286 COc1cc(ccc1Cl)NCF 34a_100000742311_100015361967 [0,0,0,0,0,0|3,0,1]=4 175 B12R1.286 COc1cc(ccc1Cl)OCF 34a_100012186310_100015361967 [0,0,0,0,0,0|3,0,1]=4 176 B12R1.286 COc1cc(ccc1Cl)OCF 7a_100012186310_100015361967 [0,0,0,0,0,0|3,0,1]=4 177 B12R1.286 COc1cc(ccc1Cl)SCF 62a_100011356853_100015361967 [0,0,0,0,0,0|3,0,1]=4 178 B12R1.286 COc1cc(ccc1Cl)SCF 62a_100015361967_100011356853 [0,0,0,0,0,0|3,0,1]=4 179 B12R1.286 COc1cc(ccc1F)CN[13CH3] 2230a_100020626639_200025704644 [0,0,0,0,0,0|2,0,1]=3 180 B12R1.286 COc1cc(ccc1F)CN[13CH3] 34a_100020626639_200025704644 [0,0,0,0,0,0|2,0,1]=3 181 B12R1.286 COc1cc(ccc1F)CO[13CH3] 34a_100000692429_200025704644 [0,0,0,0,0,0|2,0,1]=3 182 B12R1.286 COc1cc(ccc1F)CO[13CH3] 7a_100000692429_200025704644 [0,0,0,0,0,0|2,0,1]=3 183 B12R1.286 COc1cc(ccc1F)CSC 62a_100012349856_200000210301 [0,0,0,0,0,0|2,0,1]=3 184 B12R1.286 COc1cc(ccc1F)CSC 62a_200000210301_100012349856 [0,0,0,0,0,0|2,0,1]=3 185 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_100012349856_200025704644 [0,0,0,0,0,0|2,0,1]=3 186 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_200025704644_100012349856 [0,0,0,0,0,0|2,0,1]=3 187 B12R1.286 COc1cc(ccc1F)NCF 34a_100000701188_100015361967 [0,0,0,0,0,0|3,0,1]=4 188 B12R1.286 COc1cc(ccc1F)OCF 34a_100012001760_100015361967 [0,0,0,0,0,0|3,0,1]=4 189 B12R1.286 COc1cc(ccc1F)OCF 7a_100012001760_100015361967 [0,0,0,0,0,0|3,0,1]=4 190 B12R1.286 COc1cc(ccc1F)SCF 62a_100011934186_100015361967 [0,0,0,0,0,0|3,0,1]=4 191 B12R1.286 COc1cc(ccc1F)SCF 62a_100015361967_100011934186 [0,0,0,0,0,0|3,0,1]=4 192 B12R1.286 COc1cc(ccc1I)NCF 34a_100000746945_100015361967 [0,0,0,0,0,0|3,0,1]=4 193 B12R1.286 COc1cc(ccc1N)CO[13CH3] 34a_100000087641_200025704644 [0,0,0,0,0,0|2,0,1]=3 194 B12R1.286 COc1cc(ccc1N)OCF 34a_100015326901_100015361967 [0,0,0,0,0,0|3,0,1]=4 195 B12R1.286 COc1cc(ccc1N)OCF 7a_100015326901_100015361967 [0,0,0,0,0,0|3,0,1]=4 196 B12R1.286 COc1cc(ccc1N)SCF 62a_100011279103_100015361967 [0,0,0,0,0,0|3,0,1]=4 197 B12R1.286 COc1cc(ccc1N)SCF 62a_100015361967_100015196925 [0,0,0,0,0,0|3,0,1]=4 198 B12R1.286 COc1cc(ccc1O)CC#N 271570a_203496583355_100010176002 [0,0,0,0,0,0|1,0,1]=2 199 B12R1.286 COc1cc(ccc1O)CN[13CH3] 34a_100000185554_200025704644 [0,0,0,0,0,0|1,0,1]=2 200 B12R1.286 COc1cc(ccc1O)NCF 34a_100000726020_100015361967 [0,0,0,0,0,0|2,0,1]=3 201 B12R1.286 COc1cc(ccc1O)SCF 62a_100015361967_100000694246 [0,0,0,0,0,0|2,0,1]=3 202 B12R1.286 COc1cc(ncc1Br)CO[13CH3] 34a_100010999569_200025704644 [0,0,0,0,0,0|3,0,1]=4 203 B12R1.286 COc1nc(ccc1Br)CSC 62a_200000210301_200010066506 [0,0,0,0,0,0|3,0,1]=4 204 B12R1.286 COc1nc(ccc1Br)CSC 62a_200010066506_200000210301 [0,0,0,0,0,0|3,0,1]=4 205 B12R1.286 COc1nc(ccc1Br)CS[13CH3] 62a_200010066506_200025704644 [0,0,0,0,0,0|3,0,1]=4 206 B12R1.286 COc1nc(ccc1Br)CS[13CH3] 62a_200025704644_200010066506 [0,0,0,0,0,0|3,0,1]=4 207 B12R1.286 COc1nc(ccc1O)SCF 62a_100015361967_100010893133 [0,0,0,0,0,0|3,0,1]=4 208 B12R1.286 CSCc1ccc(c(c1)C=O)O 62a_200000210301_100000008128 [0,0,0,0,0,0|3,0,1]=4 209 B12R1.286 CSc1cc(ccc1F)CC#N 62a_100000742998_200000210301 [0,0,0,0,0,0|2,1,1]=4 210 B12R1.286 CSc1cc(ccc1F)CC#N 62a_200000210301_100000742998 [0,0,0,0,0,0|2,1,1]=4 211 B12R1.286 CSc1cc(ccc1N)CC#N 62a_100010188563_200000210301 [0,0,0,0,0,0|2,1,1]=4 212 B12R1.286 CSc1cc(ccc1N)CC#N 62a_200000210301_100010188563 [0,0,0,0,0,0|2,1,1]=4 213 B12R1.286 [13CH3]SCc1ccc(c(c1)C=O)O 62a_200025704644_100000008128 [0,0,0,0,0,0|3,0,1]=4 214 B12R1.286 [13CH3]Sc1cc(ccc1F)CC#N 62a_100000742998_200025704644 [0,0,0,0,0,0|2,1,1]=4 215 B12R1.286 [13CH3]Sc1cc(ccc1F)CC#N 62a_200025704644_100000742998 [0,0,0,0,0,0|2,1,1]=4 216 B12R1.286 [13CH3]Sc1cc(ccc1N)CC#N 62a_100010188563_200025704644 [0,0,0,0,0,0|2,1,1]=4 217 B12R1.286 [13CH3]Sc1cc(ccc1N)CC#N 62a_200025704644_100010188563 [0,0,0,0,0,0|2,1,1]=4 218 B11R1.189 C=C=Cc1cc(ccn1)OC 271570a_100015277604_100011216251 [1,0,0,0,0,0|1,0,2]=4 219 B11R1.189 C=C=Cc1cccc(c1)CC 271570a_100015277604_100000684523 [1,0,0,0,0,0|1,0,2]=4 220 B11R1.189 C=C=Cc1cccc(c1)NC 271570a_100015277604_100000219648 [1,0,0,0,0,0|1,0,2]=4 221 B11R1.189 C=C=Cc1cccc(c1)OC 271570a_100015277604_100000170001 [1,0,0,0,0,0|0,0,2]=3 222 B11R1.189 C=C=Cc1cccc(c1)SC 271570a_100015277604_100011215954 [1,0,0,0,0,0|0,1,2]=4 223 B11R1.189 C=C=Cc1cccc(n1)OC 271570a_100015277604_100000760917 [1,0,0,0,0,0|1,0,2]=4 224 B11R1.189 C=C=Cc1ccnc(c1)OC 271570a_100015277604_100000117307 [1,0,0,0,0,0|1,0,2]=4 225 B11R1.189 C=C=Cc1cncc(c1)OC 271570a_100015277604_100000684773 [1,0,0,0,0,0|1,0,2]=4 226 B11R1.189 C=CCc1cccc(c1)C=C 271570a_100011290941_100009816576 [1,0,0,0,0,0|1,0,1]=3 227 B11R1.189 C=CCc1cccc(c1)SC 62a_100009816576_200000210301 [1,0,0,0,0,0|0,1,0]=2 228 B11R1.189 C=CCc1cccc(c1)SC 62a_200000210301_100009816576 [1,0,0,0,0,0|0,1,0]=2 229 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_100009816576_200025704644 [1,0,0,0,0,0|0,1,0]=2 230 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_200025704644_100009816576 [1,0,0,0,0,0|0,1,0]=2 231 B11R1.189 C=Cc1cccc(c1)CC=O 271570a_100011290941_200000698211 [1,0,0,0,0,0|2,0,1]=4 232 B11R1.189 CC=Cc1cc(ccn1)OC 271570a_100016259895_100011216251 [1,0,0,0,0,0|1,0,2]=4 233 B11R1.189 CC=Cc1cccc(c1)CC 271570a_100016259895_100000684523 [1,0,0,0,0,0|1,0,2]=4 234 B11R1.189 CC=Cc1cccc(c1)NC 271570a_100016259895_100000219648 [1,0,0,0,0,0|1,0,2]=4 235 B11R1.189 CC=Cc1cccc(c1)OC 271570a_100016259895_100000170001 [1,0,0,0,0,0|0,0,2]=3 236 B11R1.189 CC=Cc1cccc(c1)SC 271570a_100016259895_100011215954 [1,0,0,0,0,0|0,1,2]=4 237 B11R1.189 CC=Cc1cccc(n1)OC 271570a_100016259895_100000760917 [1,0,0,0,0,0|1,0,2]=4 238 B11R1.189 CC=Cc1ccnc(c1)OC 271570a_100016259895_100000117307 [1,0,0,0,0,0|1,0,2]=4 239 B11R1.189 CC=Cc1cncc(c1)OC 271570a_100016259895_100000684773 [1,0,0,0,0,0|1,0,2]=4 240 B11R1.189 CCCc1cccc(c1)OC 34a_100000039106_200000210301 [1,0,0,0,0,0|0,0,2]=3 241 B11R1.189 CCCc1cccc(c1)OC 7a_100000039106_200000210301 [1,0,0,0,0,0|0,0,2]=3 242 B11R1.189 CCCc1cccc(c1)O[13CH3] 34a_100000039106_200025704644 [1,0,0,0,0,0|0,0,2]=3 243 B11R1.189 CCCc1cccc(c1)O[13CH3] 7a_100000039106_200025704644 [1,0,0,0,0,0|0,0,2]=3 244 B11R1.189 CCCc1cccc(c1)SC 62a_100000694964_200000210301 [1,0,0,0,0,0|0,1,2]=4 245 B11R1.189 CCCc1cccc(c1)SC 62a_200000210301_100000694964 [1,0,0,0,0,0|0,1,2]=4 246 B11R1.189 CCCc1cccc(c1)S[13CH3] 62a_100000694964_200025704644 [1,0,0,0,0,0|0,1,2]=4 247 B11R1.189 CCCc1cccc(c1)S[13CH3] 62a_200025704644_100000694964 [1,0,0,0,0,0|0,1,2]=4 248 B11R1.189 CCNc1cccc(c1)OC 34a_100000210024_100000210202 [1,0,0,0,0,0|1,0,2]=4 249 B11R1.189 CCNc1cccc(c1)OC 34a_100000717746_200000210301 [1,0,0,0,0,0|1,0,2]=4 250 B11R1.189 CCNc1cccc(c1)OC 7a_100000717746_200000210301 [1,0,0,0,0,0|1,0,2]=4 251 B11R1.189 CCNc1cccc(c1)O[13CH3] 34a_100000717746_200025704644 [1,0,0,0,0,0|1,0,2]=4 252 B11R1.189 CCNc1cccc(c1)O[13CH3] 7a_100000717746_200025704644 [1,0,0,0,0,0|1,0,2]=4 253 B11R1.189 CCOc1cccc(c1)OC 34a_100000211255_100000210202 [1,0,0,0,0,0|1,0,2]=4 254 B11R1.189 CCOc1cccc(c1)OC 34a_100011215941_200000210301 [1,0,0,0,0,0|1,0,2]=4 255 B11R1.189 CCOc1cccc(c1)OC 7a_100000211255_100000210202 [1,0,0,0,0,0|1,0,2]=4 256 B11R1.189 CCOc1cccc(c1)OC 7a_100011215941_200000210301 [1,0,0,0,0,0|1,0,2]=4 257 B11R1.189 CCOc1cccc(c1)O[13CH3] 34a_100011215941_200025704644 [1,0,0,0,0,0|1,0,2]=4 258 B11R1.189 CCOc1cccc(c1)O[13CH3] 7a_100011215941_200025704644 [1,0,0,0,0,0|1,0,2]=4 259 B11R1.189 CCSc1cccc(c1)OC 62a_100000210202_100000170001 [1,0,0,0,0,0|1,0,2]=4 260 B11R1.189 CCc1cccc(c1)CNC 207a_100102657272_100011999841 [1,0,0,0,0,0|2,0,1]=4 261 B11R1.189 CCc1cccc(c1)CNC 26a_100102657272_100000211550 [1,0,0,0,0,0|2,0,1]=4 262 B11R1.189 CCc1cccc(c1)CNC 270004a_106832991635_100011999841 [1,0,0,0,0,0|2,0,1]=4 263 B11R1.189 CNCc1cc(ccn1)OC 207a_100102657272_100000087537 [1,0,0,0,0,0|2,0,1]=4 264 B11R1.189 CNCc1cc(ccn1)OC 2230a_106832991635_100000752681 [1,0,0,0,0,0|2,0,1]=4 265 B11R1.189 CNCc1cc(ccn1)OC 270004a_106832991635_100000087537 [1,0,0,0,0,0|2,0,1]=4 266 B11R1.189 CNCc1cc(ccn1)OC 34a_100102657272_100000752681 [1,0,0,0,0,0|2,0,1]=4 267 B11R1.189 CNCc1cc(ccn1)OC 7a_106832991635_100000752681 [1,0,0,0,0,0|2,0,1]=4 268 B11R1.189 CNCc1cccc(c1)OC 207a_100102657272_100000170238 [1,0,0,0,0,0|1,0,1]=3 269 B11R1.189 CNCc1cccc(c1)OC 2230a_100000174954_200000210301 [1,0,0,0,0,0|1,0,1]=3 270 B11R1.189 CNCc1cccc(c1)OC 2230a_106832991635_100000211672 [1,0,0,0,0,0|1,0,1]=3 271 B11R1.189 CNCc1cccc(c1)OC 26a_100102657272_100000211255 [1,0,0,0,0,0|1,0,1]=3 272 B11R1.189 CNCc1cccc(c1)OC 270004a_106832991635_100000170238 [1,0,0,0,0,0|1,0,1]=3 273 B11R1.189 CNCc1cccc(c1)OC 34a_100000174954_200000210301 [1,0,0,0,0,0|1,0,1]=3 274 B11R1.189 CNCc1cccc(c1)OC 34a_100000207540_200000210301 [1,0,0,0,0,0|1,0,1]=3 275 B11R1.189 CNCc1cccc(c1)OC 34a_100102657272_100000688526 [1,0,0,0,0,0|1,0,1]=3 276 B11R1.189 CNCc1cccc(c1)OC 7a_106832991635_100000211672 [1,0,0,0,0,0|1,0,1]=3 277 B11R1.189 CNCc1cccc(c1)O[13CH3] 34a_100000207540_200025704644 [1,0,0,0,0,0|1,0,1]=3 278 B11R1.189 CNCc1cccc(c1)SC 207a_100102657272_100011935093 [1,0,0,0,0,0|1,1,1]=4 279 B11R1.189 CNCc1cccc(c1)SC 26a_100102657272_100011265683 [1,0,0,0,0,0|1,1,1]=4 280 B11R1.189 CNCc1cccc(c1)SC 270004a_106832991635_100011935093 [1,0,0,0,0,0|1,1,1]=4 281 B11R1.189 CNCc1cccc(c1)SC 62a_100000187585_200000210301 [1,0,0,0,0,0|1,1,1]=4 282 B11R1.189 CNCc1cccc(c1)SC 62a_200000210301_100000187585 [1,0,0,0,0,0|1,1,1]=4 283 B11R1.189 CNCc1cccc(c1)S[13CH3] 62a_100000187585_200025704644 [1,0,0,0,0,0|1,1,1]=4 284 B11R1.189 CNCc1cccc(c1)S[13CH3] 62a_200025704644_100000187585 [1,0,0,0,0,0|1,1,1]=4 285 B11R1.189 CNCc1cccc(n1)OC 207a_100102657272_100000694346 [1,0,0,0,0,0|2,0,1]=4 286 B11R1.189 CNCc1cccc(n1)OC 2230a_100000746380_200000210301 [1,0,0,0,0,0|2,0,1]=4 287 B11R1.189 CNCc1cccc(n1)OC 2230a_106832991635_100000755263 [1,0,0,0,0,0|2,0,1]=4 288 B11R1.189 CNCc1cccc(n1)OC 270004a_106832991635_100000694346 [1,0,0,0,0,0|2,0,1]=4 289 B11R1.189 CNCc1cccc(n1)OC 34a_100102657272_100000755263 [1,0,0,0,0,0|2,0,1]=4 290 B11R1.189 CNCc1cccc(n1)OC 7a_106832991635_100000755263 [1,0,0,0,0,0|2,0,1]=4 291 B11R1.189 CNCc1ccnc(c1)OC 207a_100102657272_100000050969 [1,0,0,0,0,0|2,0,1]=4 292 B11R1.189 CNCc1ccnc(c1)OC 2230a_106832991635_100103152439 [1,0,0,0,0,0|2,0,1]=4 293 B11R1.189 CNCc1ccnc(c1)OC 270004a_106832991635_100000050969 [1,0,0,0,0,0|2,0,1]=4 294 B11R1.189 CNCc1ccnc(c1)OC 34a_100102657272_100103152439 [1,0,0,0,0,0|2,0,1]=4 295 B11R1.189 CNCc1ccnc(c1)OC 7a_106832991635_100103152439 [1,0,0,0,0,0|2,0,1]=4 296 B11R1.189 CNCc1cncc(c1)OC 207a_100102657272_100011361638 [1,0,0,0,0,0|2,0,1]=4 297 B11R1.189 CNCc1cncc(c1)OC 2230a_100020589029_200000210301 [1,0,0,0,0,0|2,0,1]=4 298 B11R1.189 CNCc1cncc(c1)OC 270004a_106832991635_100011361638 [1,0,0,0,0,0|2,0,1]=4 299 B11R1.189 CNCc1cncc(c1)OC 34a_100020589029_200000210301 [1,0,0,0,0,0|2,0,1]=4 300 B11R1.189 CNc1cccc(c1)CC#N 2230a_100000017804_200000210301 [1,0,0,0,0,0|2,0,1]=4 301 B11R1.189 CNc1cccc(c1)CC#N 34a_100000017804_200000210301 [1,0,0,0,0,0|2,0,1]=4 302 B11R1.189 CNc1cccc(c1)CCO 2230a_100011996697_200000210301 [1,0,0,0,0,0|2,0,1]=4 303 B11R1.189 CNc1cccc(c1)CCO 34a_100011996697_200000210301 [1,0,0,0,0,0|2,0,1]=4 304 B11R1.189 CNc1cccc(c1)COC 2230a_100000737370_200000210301 [1,0,0,0,0,0|2,0,1]=4 305 B11R1.189 CNc1cccc(c1)COC 34a_100000737370_200000210301 [1,0,0,0,0,0|2,0,1]=4 306 B11R1.189 COCc1cc(ccn1)OC 34a_100000749536_200000210301 [1,0,0,0,0,0|2,0,1]=4 307 B11R1.189 COCc1cc(ccn1)OC 34a_100138415774_100000752681 [1,0,0,0,0,0|2,0,1]=4 308 B11R1.189 COCc1cccc(c1)N[13CH3] 2230a_100000737370_200025704644 [1,0,0,0,0,0|2,0,1]=4 309 B11R1.189 COCc1cccc(c1)N[13CH3] 34a_100000737370_200025704644 [1,0,0,0,0,0|2,0,1]=4 310 B11R1.189 COCc1cccc(c1)OC 34a_100000198976_200000210301 [1,0,0,0,0,0|1,0,1]=3 311 B11R1.189 COCc1cccc(c1)OC 34a_100138415774_100000688526 [1,0,0,0,0,0|1,0,1]=3 312 B11R1.189 COCc1cccc(c1)SC 62a_100011493687_200000210301 [1,0,0,0,0,0|1,1,1]=4 313 B11R1.189 COCc1cccc(c1)SC 62a_200000210301_100011493687 [1,0,0,0,0,0|1,1,1]=4 314 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_100011493687_200025704644 [1,0,0,0,0,0|1,1,1]=4 315 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_200025704644_100011493687 [1,0,0,0,0,0|1,1,1]=4 316 B11R1.189 COCc1cccc(n1)OC 34a_100138415774_100000755263 [1,0,0,0,0,0|2,0,1]=4 317 B11R1.189 COCc1ccnc(c1)OC 34a_100138415774_100103152439 [1,0,0,0,0,0|2,0,1]=4 318 B11R1.189 COCc1cncc(c1)OC 34a_100000732071_200000210301 [1,0,0,0,0,0|2,0,1]=4 319 B11R1.189 COc1cc(ccn1)CSC 62a_100103152439_200000210301 [1,0,0,0,0,0|2,0,1]=4 320 B11R1.189 COc1cc(ccn1)CSC 62a_200000210301_100103152439 [1,0,0,0,0,0|2,0,1]=4 321 B11R1.189 COc1cc(ccn1)CS[13CH3] 62a_100103152439_200025704644 [1,0,0,0,0,0|2,0,1]=4 322 B11R1.189 COc1cc(ccn1)CS[13CH3] 62a_200025704644_100103152439 [1,0,0,0,0,0|2,0,1]=4 323 B11R1.189 COc1cccc(c1)CC#N 7a_100000696680_200000210301 [1,0,0,0,0,0|1,0,1]=3 324 B11R1.189 COc1cccc(c1)CCN 34a_100000747277_200000210301 [1,0,0,0,0,0|1,0,1]=3 325 B11R1.189 COc1cccc(c1)CCO 34a_100011215281_200000210301 [1,0,0,0,0,0|1,0,1]=3 326 B11R1.189 COc1cccc(c1)CCO 7a_100011215281_200000210301 [1,0,0,0,0,0|1,0,1]=3 327 B11R1.189 COc1cccc(c1)CNN 34a_100000008902_200000210301 [1,0,0,0,0,0|2,0,0]=3 328 B11R1.189 COc1cccc(c1)CN[13CH3] 2230a_100000174954_200025704644 [1,0,0,0,0,0|1,0,1]=3 329 B11R1.189 COc1cccc(c1)CN[13CH3] 34a_100000174954_200025704644 [1,0,0,0,0,0|1,0,1]=3 330 B11R1.189 COc1cccc(c1)CO[13CH3] 34a_100000198976_200025704644 [1,0,0,0,0,0|1,0,1]=3 331 B11R1.189 COc1cccc(c1)CSC 62a_100000688526_200000210301 [1,0,0,0,0,0|1,0,1]=3 332 B11R1.189 COc1cccc(c1)CSC 62a_200000210301_100000211672 [1,0,0,0,0,0|1,0,1]=3 333 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_100000688526_200025704644 [1,0,0,0,0,0|1,0,1]=3 334 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_200025704644_100000211672 [1,0,0,0,0,0|1,0,1]=3 335 B11R1.189 COc1cccc(c1)NCF 34a_100000210024_100015361967 [1,0,0,0,0,0|2,0,1]=4 336 B11R1.189 COc1cccc(c1)OCF 34a_100000211255_100015361967 [1,0,0,0,0,0|2,0,1]=4 337 B11R1.189 COc1cccc(c1)OCF 7a_100000211255_100015361967 [1,0,0,0,0,0|2,0,1]=4 338 B11R1.189 COc1cccc(c1)SCF 62a_100015361967_100000170001 [1,0,0,0,0,0|2,0,1]=4 339 B11R1.189 COc1cccc(n1)CN[13CH3] 2230a_100000746380_200025704644 [1,0,0,0,0,0|2,0,1]=4 340 B11R1.189 COc1cccc(n1)CSC 62a_100000755263_200000210301 [1,0,0,0,0,0|2,0,1]=4 341 B11R1.189 COc1cccc(n1)CSC 62a_200000210301_100000755263 [1,0,0,0,0,0|2,0,1]=4 342 B11R1.189 COc1cccc(n1)CS[13CH3] 62a_100000755263_200025704644 [1,0,0,0,0,0|2,0,1]=4 343 B11R1.189 COc1cccc(n1)CS[13CH3] 62a_200025704644_100000755263 [1,0,0,0,0,0|2,0,1]=4 344 B11R1.189 COc1ccnc(c1)CO[13CH3] 34a_100000749536_200025704644 [1,0,0,0,0,0|2,0,1]=4 345 B11R1.189 COc1ccnc(c1)CSC 62a_100000752681_200000210301 [1,0,0,0,0,0|2,0,1]=4 346 B11R1.189 COc1ccnc(c1)CSC 62a_200000210301_100000752681 [1,0,0,0,0,0|2,0,1]=4 347 B11R1.189 COc1ccnc(c1)CS[13CH3] 62a_100000752681_200025704644 [1,0,0,0,0,0|2,0,1]=4 348 B11R1.189 COc1ccnc(c1)CS[13CH3] 62a_200025704644_100000752681 [1,0,0,0,0,0|2,0,1]=4 349 B11R1.189 COc1cncc(c1)CN[13CH3] 2230a_100020589029_200025704644 [1,0,0,0,0,0|2,0,1]=4 350 B11R1.189 COc1cncc(c1)CN[13CH3] 34a_100020589029_200025704644 [1,0,0,0,0,0|2,0,1]=4 351 B11R1.189 COc1cncc(c1)CO[13CH3] 34a_100000732071_200025704644 [1,0,0,0,0,0|2,0,1]=4 352 B11R1.189 CSc1cccc(c1)CC#N 62a_100000034040_200000210301 [1,0,0,0,0,0|1,1,1]=4 353 B11R1.189 CSc1cccc(c1)CC#N 62a_200000210301_100000034040 [1,0,0,0,0,0|1,1,1]=4 354 B11R1.189 CSc1cccc(c1)CC=O 62a_200000210301_200000698211 [1,0,0,0,0,0|1,1,0]=3 355 B11R1.189 CSc1cccc(c1)CC=O 62a_200000698211_200000210301 [1,0,0,0,0,0|1,1,0]=3 356 B11R1.189 CSc1cccc(c1)CCN 62a_100011207229_200000210301 [1,0,0,0,0,0|1,1,1]=4 357 B11R1.189 CSc1cccc(c1)CCN 62a_200000210301_100011207229 [1,0,0,0,0,0|1,1,1]=4 358 B11R1.189 CSc1cccc(c1)CCO 62a_100011217444_200000210301 [1,0,0,0,0,0|1,1,1]=4 359 B11R1.189 CSc1cccc(c1)CCO 62a_200000210301_100011217444 [1,0,0,0,0,0|1,1,1]=4 360 B11R1.189 CSc1cccc(c1)CNN 62a_100000686200_200000210301 [1,0,0,0,0,0|2,1,0]=4 361 B11R1.189 CSc1cccc(c1)CNN 62a_200000210301_100000686200 [1,0,0,0,0,0|2,1,0]=4 362 B11R1.189 [13CH3]Nc1cccc(c1)CC#N 2230a_100000017804_200025704644 [1,0,0,0,0,0|2,0,1]=4 363 B11R1.189 [13CH3]Nc1cccc(c1)CC#N 34a_100000017804_200025704644 [1,0,0,0,0,0|2,0,1]=4 364 B11R1.189 [13CH3]Nc1cccc(c1)CCO 2230a_100011996697_200025704644 [1,0,0,0,0,0|2,0,1]=4 365 B11R1.189 [13CH3]Nc1cccc(c1)CCO 34a_100011996697_200025704644 [1,0,0,0,0,0|2,0,1]=4 366 B11R1.189 [13CH3]Oc1cccc(c1)CC#N 7a_100000696680_200025704644 [1,0,0,0,0,0|1,0,1]=3 367 B11R1.189 [13CH3]Oc1cccc(c1)CCN 34a_100000747277_200025704644 [1,0,0,0,0,0|1,0,1]=3 368 B11R1.189 [13CH3]Oc1cccc(c1)CCO 34a_100011215281_200025704644 [1,0,0,0,0,0|1,0,1]=3 369 B11R1.189 [13CH3]Oc1cccc(c1)CCO 7a_100011215281_200025704644 [1,0,0,0,0,0|1,0,1]=3 370 B11R1.189 [13CH3]Oc1cccc(c1)CNN 34a_100000008902_200025704644 [1,0,0,0,0,0|2,0,0]=3 371 B11R1.189 [13CH3]Sc1cccc(c1)CC#N 62a_100000034040_200025704644 [1,0,0,0,0,0|1,1,1]=4 372 B11R1.189 [13CH3]Sc1cccc(c1)CC#N 62a_200025704644_100000034040 [1,0,0,0,0,0|1,1,1]=4 373 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200000698211_200025704644 [1,0,0,0,0,0|1,1,0]=3 374 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200025704644_200000698211 [1,0,0,0,0,0|1,1,0]=3 375 B11R1.189 [13CH3]Sc1cccc(c1)CCN 62a_100011207229_200025704644 [1,0,0,0,0,0|1,1,1]=4 376 B11R1.189 [13CH3]Sc1cccc(c1)CCN 62a_200025704644_100011207229 [1,0,0,0,0,0|1,1,1]=4 377 B11R1.189 [13CH3]Sc1cccc(c1)CCO 62a_100011217444_200025704644 [1,0,0,0,0,0|1,1,1]=4 378 B11R1.189 [13CH3]Sc1cccc(c1)CCO 62a_200025704644_100011217444 [1,0,0,0,0,0|1,1,1]=4 379 B11R1.189 [13CH3]Sc1cccc(c1)CNN 62a_100000686200_200025704644 [1,0,0,0,0,0|2,1,0]=4 380 B11R1.189 [13CH3]Sc1cccc(c1)CNN 62a_200025704644_100000686200 [1,0,0,0,0,0|2,1,0]=4 381 B11R1.192 C=C=Cc1cc(c(cn1)O)C 271570a_100015277604_100000692680 [1,0,0,0,0,0|1,0,2]=4 382 B11R1.192 C=C=Cc1ccc(c(c1)Br)O 271570a_100015277604_100012361655 [1,0,0,0,0,0|1,0,2]=4 383 B11R1.192 C=C=Cc1ccc(c(c1)C)Br 271570a_100015277604_100009813585 [1,0,0,0,0,0|1,0,2]=4 384 B11R1.192 C=C=Cc1ccc(c(c1)C)C 271570a_100015277604_100011215607 [1,0,0,0,0,0|1,0,2]=4 385 B11R1.192 C=C=Cc1ccc(c(c1)C)Cl 271570a_100015277604_100000049509 [1,0,0,0,0,0|1,0,2]=4 386 B11R1.192 C=C=Cc1ccc(c(c1)C)F 271570a_100015277604_100011218330 [1,0,0,0,0,0|1,0,2]=4 387 B11R1.192 C=C=Cc1ccc(c(c1)C)N 271570a_100015277604_100000211769 [1,0,0,0,0,0|1,0,2]=4 388 B11R1.192 C=C=Cc1ccc(c(c1)C)O 271570a_100015277604_100000186361 [1,0,0,0,0,0|0,0,2]=3 389 B11R1.192 C=C=Cc1ccc(c(c1)Cl)O 271570a_100015277604_100012360047 [1,0,0,0,0,0|1,0,2]=4 390 B11R1.192 C=C=Cc1ccc(c(c1)F)O 271570a_100015277604_100000185481 [1,0,0,0,0,0|1,0,2]=4 391 B11R1.192 C=C=Cc1ccc(c(c1)N)O 271570a_100015277604_100000752626 [1,0,0,0,0,0|1,0,2]=4 392 B11R1.192 C=C=Cc1ccc(c(c1)O)Br 271570a_100015277604_100012356990 [1,0,0,0,0,0|1,0,2]=4 393 B11R1.192 C=C=Cc1ccc(c(c1)O)C 271570a_100015277604_100000766334 [1,0,0,0,0,0|1,0,2]=4 394 B11R1.192 C=C=Cc1ccc(c(c1)O)Cl 271570a_100015277604_100011356854 [1,0,0,0,0,0|1,0,2]=4 395 B11R1.192 C=C=Cc1ccc(c(c1)O)F 271570a_100015277604_100000686035 [1,0,0,0,0,0|1,0,2]=4 396 B11R1.192 C=C=Cc1ccc(c(c1)O)N 271570a_100015277604_100000739049 [1,0,0,0,0,0|1,0,2]=4 397 B11R1.192 C=C=Cc1ccc(c(c1)O)O 271570a_100015277604_100009813601 [1,0,0,0,0,0|0,0,2]=3 398 B11R1.192 C=C=Cc1ccc(c(n1)C)O 271570a_100015277604_100010233687 [1,0,0,0,0,0|1,0,2]=4 399 B11R1.192 C=C=Cc1cnc(c(c1)C)O 271570a_100015277604_100000685391 [1,0,0,0,0,0|1,0,2]=4 400 B11R1.192 CC=Cc1cc(c(cn1)O)C 271570a_100016259895_100000692680 [1,0,0,0,0,0|1,0,2]=4 401 B11R1.192 CC=Cc1ccc(c(c1)Br)O 271570a_100016259895_100012361655 [1,0,0,0,0,0|1,0,2]=4 402 B11R1.192 CC=Cc1ccc(c(c1)C)Br 271570a_100016259895_100009813585 [1,0,0,0,0,0|1,0,2]=4 403 B11R1.192 CC=Cc1ccc(c(c1)C)C 271570a_100016259895_100011215607 [1,0,0,0,0,0|1,0,2]=4 404 B11R1.192 CC=Cc1ccc(c(c1)C)Cl 271570a_100016259895_100000049509 [1,0,0,0,0,0|1,0,2]=4 405 B11R1.192 CC=Cc1ccc(c(c1)C)F 271570a_100016259895_100011218330 [1,0,0,0,0,0|1,0,2]=4 406 B11R1.192 CC=Cc1ccc(c(c1)C)N 271570a_100016259895_100000211769 [1,0,0,0,0,0|1,0,2]=4 407 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [1,0,0,0,0,0|0,0,2]=3 408 B11R1.192 CC=Cc1ccc(c(c1)Cl)O 271570a_100016259895_100012360047 [1,0,0,0,0,0|1,0,2]=4 409 B11R1.192 CC=Cc1ccc(c(c1)F)O 271570a_100016259895_100000185481 [1,0,0,0,0,0|1,0,2]=4 410 B11R1.192 CC=Cc1ccc(c(c1)N)O 271570a_100016259895_100000752626 [1,0,0,0,0,0|1,0,2]=4 411 B11R1.192 CC=Cc1ccc(c(c1)O)Br 271570a_100016259895_100012356990 [1,0,0,0,0,0|1,0,2]=4 412 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [1,0,0,0,0,0|1,0,2]=4 413 B11R1.192 CC=Cc1ccc(c(c1)O)Cl 271570a_100016259895_100011356854 [1,0,0,0,0,0|1,0,2]=4 414 B11R1.192 CC=Cc1ccc(c(c1)O)F 271570a_100016259895_100000686035 [1,0,0,0,0,0|1,0,2]=4 415 B11R1.192 CC=Cc1ccc(c(c1)O)N 271570a_100016259895_100000739049 [1,0,0,0,0,0|1,0,2]=4 416 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [1,0,0,0,0,0|0,0,2]=3 417 B11R1.192 CC=Cc1ccc(c(n1)C)O 271570a_100016259895_100010233687 [1,0,0,0,0,0|1,0,2]=4 418 B11R1.192 CC=Cc1cnc(c(c1)C)O 271570a_100016259895_100000685391 [1,0,0,0,0,0|1,0,2]=4 419 B11R1.192 CCCc1ccc(c(c1)F)O 271570a_203496583355_200010686677 [1,0,0,0,0,0|1,0,2]=4 420 B11R1.192 CCNc1ccc(c(c1)C)O 271570a_203496583355_100015183089 [1,0,0,0,0,0|1,0,2]=4 421 B11R1.192 CCNc1ccc(c(c1)C)O 34a_100011218179_100000210202 [1,0,0,0,0,0|1,0,2]=4 422 B11R1.192 CCNc1ccc(c(c1)C)O 7a_100011218179_100000210202 [1,0,0,0,0,0|1,0,2]=4 423 B11R1.192 CCNc1ccc(c(c1)O)O 34a_100102946323_100000210202 [1,0,0,0,0,0|1,0,2]=4 424 B11R1.192 CCOc1ccc(c(c1)C)O 271570a_203496583355_100012344538 [1,0,0,0,0,0|1,0,2]=4 425 B11R1.192 CCSc1ccc(c(c1)C)O 62a_100000210202_100000186361 [1,0,0,0,0,0|1,0,2]=4 426 B11R1.192 CCSc1ccc(c(c1)O)O 62a_100000210202_100009813601 [1,0,0,0,0,0|1,0,2]=4 427 B11R1.192 CNCc1ccc(c(c1)C)Br 207a_100102657272_100000765772 [1,0,0,0,0,0|2,0,1]=4 428 B11R1.192 CNCc1ccc(c(c1)C)Br 2230a_100015205234_200000210301 [1,0,0,0,0,0|2,0,1]=4 429 B11R1.192 CNCc1ccc(c(c1)C)Br 2230a_106832991635_100000727479 [1,0,0,0,0,0|2,0,1]=4 430 B11R1.192 CNCc1ccc(c(c1)C)Br 26a_100102657272_100000690111 [1,0,0,0,0,0|2,0,1]=4 431 B11R1.192 CNCc1ccc(c(c1)C)Br 270004a_106832991635_100000765772 [1,0,0,0,0,0|2,0,1]=4 432 B11R1.192 CNCc1ccc(c(c1)C)Br 34a_100015205234_200000210301 [1,0,0,0,0,0|2,0,1]=4 433 B11R1.192 CNCc1ccc(c(c1)C)Br 34a_100102657272_100000727479 [1,0,0,0,0,0|2,0,1]=4 434 B11R1.192 CNCc1ccc(c(c1)C)Br 7a_106832991635_100000727479 [1,0,0,0,0,0|2,0,1]=4 435 B11R1.192 CNCc1ccc(c(c1)C)C 207a_100102657272_100000229942 [1,0,0,0,0,0|2,0,1]=4 436 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_100025706692_200000210301 [1,0,0,0,0,0|2,0,1]=4 437 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_106832991635_100000742320 [1,0,0,0,0,0|2,0,1]=4 438 B11R1.192 CNCc1ccc(c(c1)C)C 270004a_106832991635_100000229942 [1,0,0,0,0,0|2,0,1]=4 439 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100025706692_200000210301 [1,0,0,0,0,0|2,0,1]=4 440 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100102657272_100000742320 [1,0,0,0,0,0|2,0,1]=4 441 B11R1.192 CNCc1ccc(c(c1)C)C 7a_106832991635_100000742320 [1,0,0,0,0,0|2,0,1]=4 442 B11R1.192 CNCc1ccc(c(c1)C)Cl 207a_100102657272_100000698814 [1,0,0,0,0,0|2,0,1]=4 443 B11R1.192 CNCc1ccc(c(c1)C)Cl 2230a_106832991635_100012184735 [1,0,0,0,0,0|2,0,1]=4 444 B11R1.192 CNCc1ccc(c(c1)C)Cl 26a_100102657272_100000211092 [1,0,0,0,0,0|2,0,1]=4 445 B11R1.192 CNCc1ccc(c(c1)C)Cl 270004a_106832991635_100000698814 [1,0,0,0,0,0|2,0,1]=4 446 B11R1.192 CNCc1ccc(c(c1)C)Cl 34a_100102657272_100012184735 [1,0,0,0,0,0|2,0,1]=4 447 B11R1.192 CNCc1ccc(c(c1)C)Cl 7a_106832991635_100012184735 [1,0,0,0,0,0|2,0,1]=4 448 B11R1.192 CNCc1ccc(c(c1)C)F 207a_100102657272_100000748208 [1,0,0,0,0,0|2,0,1]=4 449 B11R1.192 CNCc1ccc(c(c1)C)F 2230a_100000239911_200000210301 [1,0,0,0,0,0|2,0,1]=4 450 B11R1.192 CNCc1ccc(c(c1)C)F 2230a_106832991635_100011216667 [1,0,0,0,0,0|2,0,1]=4 451 B11R1.192 CNCc1ccc(c(c1)C)F 270004a_106832991635_100000748208 [1,0,0,0,0,0|2,0,1]=4 452 B11R1.192 CNCc1ccc(c(c1)C)F 34a_100000239911_200000210301 [1,0,0,0,0,0|2,0,1]=4 453 B11R1.192 CNCc1ccc(c(c1)C)F 34a_100102657272_100011216667 [1,0,0,0,0,0|2,0,1]=4 454 B11R1.192 CNCc1ccc(c(c1)C)F 7a_106832991635_100011216667 [1,0,0,0,0,0|2,0,1]=4 455 B11R1.192 CNCc1ccc(c(c1)F)O 34a_100000758358_200000210301 [1,0,0,0,0,0|2,0,1]=4 456 B11R1.192 CNCc1ccc(c(c1)O)Cl 34a_100020636435_200000210301 [1,0,0,0,0,0|2,0,1]=4 457 B11R1.192 CNCc1ccc(c(c1)O)F 34a_100160469508_200000210301 [1,0,0,0,0,0|2,0,1]=4 458 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [1,0,0,0,0,0|1,0,1]=3 459 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100000718852_200000210301 [1,0,0,0,0,0|2,0,1]=4 460 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100138415774_100000727479 [1,0,0,0,0,0|2,0,1]=4 461 B11R1.192 COCc1ccc(c(c1)C)Br 7a_100000718852_200000210301 [1,0,0,0,0,0|2,0,1]=4 462 B11R1.192 COCc1ccc(c(c1)C)C 34a_100011215342_200000210301 [1,0,0,0,0,0|2,0,1]=4 463 B11R1.192 COCc1ccc(c(c1)C)C 34a_100138415774_100000742320 [1,0,0,0,0,0|2,0,1]=4 464 B11R1.192 COCc1ccc(c(c1)C)C 7a_100011215342_200000210301 [1,0,0,0,0,0|2,0,1]=4 465 B11R1.192 COCc1ccc(c(c1)C)Cl 34a_100138415774_100012184735 [1,0,0,0,0,0|2,0,1]=4 466 B11R1.192 COCc1ccc(c(c1)C)F 34a_100011219793_200000210301 [1,0,0,0,0,0|2,0,1]=4 467 B11R1.192 COCc1ccc(c(c1)C)F 34a_100138415774_100011216667 [1,0,0,0,0,0|2,0,1]=4 468 B11R1.192 COCc1ccc(c(c1)C)F 7a_100011219793_200000210301 [1,0,0,0,0,0|2,0,1]=4 469 B11R1.192 COCc1ccc(c(c1)C)N 34a_200011997030_200000210301 [1,0,0,0,0,0|2,0,1]=4 470 B11R1.192 COCc1ccc(c(c1)F)O 271570a_203496583355_100010177442 [1,0,0,0,0,0|2,0,1]=4 471 B11R1.192 COCc1ccc(c(c1)N)O 271570a_203496583355_200013033220 [1,0,0,0,0,0|2,0,1]=4 472 B11R1.192 COCc1ccc(c(c1)O)C 271570a_203496583355_200015395492 [1,0,0,0,0,0|2,0,1]=4 473 B11R1.192 COCc1ccc(c(c1)O)F 271570a_203496583355_200011493689 [1,0,0,0,0,0|2,0,1]=4 474 B11R1.192 CSCc1ccc(c(c1)C)Br 62a_100000727479_200000210301 [1,0,0,0,0,0|2,0,1]=4 475 B11R1.192 CSCc1ccc(c(c1)C)Br 62a_200000210301_100000727479 [1,0,0,0,0,0|2,0,1]=4 476 B11R1.192 CSCc1ccc(c(c1)C)C 62a_100000742320_200000210301 [1,0,0,0,0,0|2,0,1]=4 477 B11R1.192 CSCc1ccc(c(c1)C)C 62a_200000210301_100000742320 [1,0,0,0,0,0|2,0,1]=4 478 B11R1.192 CSCc1ccc(c(c1)C)Cl 62a_100012184735_200000210301 [1,0,0,0,0,0|2,0,1]=4 479 B11R1.192 CSCc1ccc(c(c1)C)Cl 62a_200000210301_100012184735 [1,0,0,0,0,0|2,0,1]=4 480 B11R1.192 CSCc1ccc(c(c1)C)F 62a_100011216667_200000210301 [1,0,0,0,0,0|2,0,1]=4 481 B11R1.192 CSCc1ccc(c(c1)C)F 62a_200000210301_100011216667 [1,0,0,0,0,0|2,0,1]=4 482 B11R1.192 Cc1cc(ccc1Br)CN[13CH3] 2230a_100015205234_200025704644 [1,0,0,0,0,0|2,0,1]=4 483 B11R1.192 Cc1cc(ccc1Br)CN[13CH3] 34a_100015205234_200025704644 [1,0,0,0,0,0|2,0,1]=4 484 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 34a_100000718852_200025704644 [1,0,0,0,0,0|2,0,1]=4 485 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 7a_100000718852_200025704644 [1,0,0,0,0,0|2,0,1]=4 486 B11R1.192 Cc1cc(ccc1Br)CS[13CH3] 62a_100000727479_200025704644 [1,0,0,0,0,0|2,0,1]=4 487 B11R1.192 Cc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100000727479 [1,0,0,0,0,0|2,0,1]=4 488 B11R1.192 Cc1cc(ccc1Cl)CS[13CH3] 62a_100012184735_200025704644 [1,0,0,0,0,0|2,0,1]=4 489 B11R1.192 Cc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_100012184735 [1,0,0,0,0,0|2,0,1]=4 490 B11R1.192 Cc1cc(ccc1F)CN[13CH3] 2230a_100000239911_200025704644 [1,0,0,0,0,0|2,0,1]=4 491 B11R1.192 Cc1cc(ccc1F)CN[13CH3] 34a_100000239911_200025704644 [1,0,0,0,0,0|2,0,1]=4 492 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 34a_100011219793_200025704644 [1,0,0,0,0,0|2,0,1]=4 493 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 7a_100011219793_200025704644 [1,0,0,0,0,0|2,0,1]=4 494 B11R1.192 Cc1cc(ccc1F)CS[13CH3] 62a_100011216667_200025704644 [1,0,0,0,0,0|2,0,1]=4 495 B11R1.192 Cc1cc(ccc1F)CS[13CH3] 62a_200025704644_100011216667 [1,0,0,0,0,0|2,0,1]=4 496 B11R1.192 Cc1cc(ccc1N)CO[13CH3] 34a_200011997030_200025704644 [1,0,0,0,0,0|2,0,1]=4 497 B11R1.192 Cc1cc(ccc1O)CC#N 271570a_203496583355_100000726167 [1,0,0,0,0,0|1,0,1]=3 498 B11R1.192 Cc1cc(ccc1O)NCF 34a_100011218179_100015361967 [1,0,0,0,0,0|2,0,1]=4 499 B11R1.192 Cc1cc(ccc1O)NCF 7a_100011218179_100015361967 [1,0,0,0,0,0|2,0,1]=4 500 B11R1.192 Cc1cc(ccc1O)SCF 62a_100015361967_100000186361 [1,0,0,0,0,0|2,0,1]=4 501 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 2230a_100025706692_200025704644 [1,0,0,0,0,0|2,0,1]=4 502 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 34a_100025706692_200025704644 [1,0,0,0,0,0|2,0,1]=4 503 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 34a_100011215342_200025704644 [1,0,0,0,0,0|2,0,1]=4 504 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 7a_100011215342_200025704644 [1,0,0,0,0,0|2,0,1]=4 505 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_100000742320_200025704644 [1,0,0,0,0,0|2,0,1]=4 506 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_200025704644_100000742320 [1,0,0,0,0,0|2,0,1]=4 507 B11R1.192 N#CCc1ccc(c(c1)F)O 271570a_203496583355_100000691973 [1,0,0,0,0,0|2,0,1]=4 508 B11R1.192 N#CCc1ccc(c(c1)O)F 271570a_203496583355_100000742998 [1,0,0,0,0,0|2,0,1]=4 509 B11R1.192 N#CCc1ccc(c(c1)O)N 271570a_203496583355_100010188563 [1,0,0,0,0,0|2,0,1]=4 510 B11R1.192 OCCc1ccc(c(c1)F)O 271570a_203496583355_100012921202 [1,0,0,0,0,0|2,0,1]=4 511 B11R1.192 Oc1ccc(cc1O)NCF 34a_100102946323_100015361967 [1,0,0,0,0,0|2,0,1]=4 512 B11R1.192 Oc1ccc(cc1O)SCF 62a_100015361967_100009813601 [1,0,0,0,0,0|2,0,1]=4 513 B11R1.192 [13CH3]NCc1ccc(c(c1)F)O 34a_100000758358_200025704644 [1,0,0,0,0,0|2,0,1]=4 514 B11R1.192 [13CH3]NCc1ccc(c(c1)O)Cl 34a_100020636435_200025704644 [1,0,0,0,0,0|2,0,1]=4 515 B11R1.192 [13CH3]NCc1ccc(c(c1)O)F 34a_100160469508_200025704644 [1,0,0,0,0,0|2,0,1]=4 516 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [1,0,0,0,0,0|1,0,1]=3 517 B11R1.280 C=Cc1c[nH]c(=O)c(c1)OC 271570a_100011290941_100010125397 [1,0,0,0,0,0|1,0,1]=3 518 B11R1.280 C=Cc1cc(c(cn1)C)OC 271570a_100011290941_100010067687 [1,0,0,0,0,0|2,0,0]=3 519 B11R1.280 C=Cc1cc(c(cn1)F)OC 271570a_100011290941_200010136270 [1,0,0,0,0,0|2,0,0]=3 520 B11R1.280 C=Cc1cc(c(cn1)N)OC 271570a_100011290941_100009887741 [1,0,0,0,0,0|2,0,0]=3 521 B11R1.280 C=Cc1cc(c(nn1)N)OC 271570a_100011290941_100000688033 [1,0,0,0,0,0|3,0,0]=4 522 B11R1.280 C=Cc1cc(ccc1O)C=O 271570a_100011290941_100000184552 [1,0,0,0,0,0|2,0,1]=4 523 B11R1.280 C=Cc1cc(ccc1O)CC 271570a_100011290941_100012339963 [1,0,0,0,0,0|1,0,2]=4 524 B11R1.280 C=Cc1cc(ccc1O)CO 271570a_100011290941_100011191544 [1,0,0,0,0,0|2,0,1]=4 525 B11R1.280 C=Cc1ccc(=O)n(c1)CC 271570a_100011290941_100000231005 [1,0,0,0,0,0|2,0,1]=4 526 B11R1.280 C=Cc1ccc(c(c1)C#N)Br 271570a_100011290941_100012355174 [1,0,0,0,0,0|3,0,0]=4 527 B11R1.280 C=Cc1ccc(c(c1)C#N)C 271570a_100011290941_100000698047 [1,0,0,0,0,0|3,0,0]=4 528 B11R1.280 C=Cc1ccc(c(c1)C#N)Cl 271570a_100011290941_100011356831 [1,0,0,0,0,0|3,0,0]=4 529 B11R1.280 C=Cc1ccc(c(c1)C#N)F 271570a_100011290941_100000037165 [1,0,0,0,0,0|3,0,0]=4 530 B11R1.280 C=Cc1ccc(c(c1)C#N)N 271570a_100011290941_100000688460 [1,0,0,0,0,0|3,0,0]=4 531 B11R1.280 C=Cc1ccc(c(c1)C#N)O 271570a_100011290941_100000687585 [1,0,0,0,0,0|2,0,0]=3 532 B11R1.280 C=Cc1ccc(c(c1)C=O)Br 271570a_100011290941_100010185652 [1,0,0,0,0,0|3,0,0]=4 533 B11R1.280 C=Cc1ccc(c(c1)C=O)C 271570a_100011290941_100011361606 [1,0,0,0,0,0|3,0,0]=4 534 B11R1.280 C=Cc1ccc(c(c1)C=O)Cl 271570a_100011290941_100010254384 [1,0,0,0,0,0|3,0,0]=4 535 B11R1.280 C=Cc1ccc(c(c1)C=O)F 271570a_100011290941_100000211465 [1,0,0,0,0,0|3,0,0]=4 536 B11R1.280 C=Cc1ccc(c(c1)C=O)N 271570a_100011290941_100011935258 [1,0,0,0,0,0|3,0,0]=4 537 B11R1.280 C=Cc1ccc(c(c1)C=O)O 271570a_100011290941_100000186750 [1,0,0,0,0,0|2,0,0]=3 538 B11R1.280 C=Cc1ccc(c(c1)CC)Br 271570a_100011290941_100010244631 [1,0,0,0,0,0|2,0,0]=3 539 B11R1.280 C=Cc1ccc(c(c1)CC)F 271570a_100011290941_100010244625 [1,0,0,0,0,0|2,0,0]=3 540 B11R1.280 C=Cc1ccc(c(c1)CC)N 271570a_100011290941_100000686106 [1,0,0,0,0,0|2,0,0]=3 541 B11R1.280 C=Cc1ccc(c(c1)CC)O 271570a_100011290941_100012338938 [1,0,0,0,0,0|1,0,0]=2 542 B11R1.280 C=Cc1ccc(c(c1)CN)F 271570a_100011290941_100009815772 [1,0,0,0,0,0|3,0,0]=4 543 B11R1.280 C=Cc1ccc(c(c1)CN)N 271570a_100011290941_100012349119 [1,0,0,0,0,0|3,0,0]=4 544 B11R1.280 C=Cc1ccc(c(c1)CN)O 271570a_100011290941_100000730032 [1,0,0,0,0,0|2,0,0]=3 545 B11R1.280 C=Cc1ccc(c(c1)CO)Br 271570a_100011290941_100012359683 [1,0,0,0,0,0|3,0,0]=4 546 B11R1.280 C=Cc1ccc(c(c1)CO)C 271570a_100011290941_100000700630 [1,0,0,0,0,0|3,0,0]=4 547 B11R1.280 C=Cc1ccc(c(c1)CO)Cl 271570a_100011290941_100010128486 [1,0,0,0,0,0|3,0,0]=4 548 B11R1.280 C=Cc1ccc(c(c1)CO)F 271570a_100011290941_100000049604 [1,0,0,0,0,0|3,0,0]=4 549 B11R1.280 C=Cc1ccc(c(c1)CO)N 271570a_100011290941_100012353972 [1,0,0,0,0,0|3,0,0]=4 550 B11R1.280 C=Cc1ccc(c(c1)CO)O 271570a_100011290941_100000184703 [1,0,0,0,0,0|2,0,0]=3 551 B11R1.280 C=Cc1ccc(c(c1)NC)C 271570a_100011290941_100020629602 [1,0,0,0,0,0|2,0,0]=3 552 B11R1.280 C=Cc1ccc(c(c1)NC)F 271570a_100011290941_100011314990 [1,0,0,0,0,0|2,0,0]=3 553 B11R1.280 C=Cc1ccc(c(c1)NC)N 271570a_100011290941_100000694363 [1,0,0,0,0,0|2,0,0]=3 554 B11R1.280 C=Cc1ccc(c(c1)NN)F 271570a_100011290941_100020610843 [1,0,0,0,0,0|3,0,0]=4 555 B11R1.280 C=Cc1ccc(c(c1)OC)Br 271570a_100011290941_100012353699 [1,0,0,0,0,0|1,0,0]=2 556 B11R1.280 C=Cc1ccc(c(c1)OC)C 271570a_100011290941_100011830276 [1,0,0,0,0,0|1,0,0]=2 557 B11R1.280 C=Cc1ccc(c(c1)OC)Cl 271570a_100011290941_100011356853 [1,0,0,0,0,0|1,0,0]=2 558 B11R1.280 C=Cc1ccc(c(c1)OC)F 271570a_100011290941_100011934186 [1,0,0,0,0,0|1,0,0]=2 559 B11R1.280 C=Cc1ccc(c(c1)OC)N 271570a_100011290941_100011279103 [1,0,0,0,0,0|1,0,0]=2 560 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [1,0,0,0,0,0|0,0,0]=1 561 B11R1.280 C=Cc1ccc(c(c1)SC)F 271570a_100011290941_100010341305 [1,0,0,0,0,0|1,1,0]=3 562 B11R1.280 C=Cc1ccc(c(n1)CC)N 271570a_100011290941_100009871203 [1,0,0,0,0,0|3,0,0]=4 563 B11R1.280 C=Cc1ccc(c(n1)OC)N 271570a_100011290941_100000687816 [1,0,0,0,0,0|2,0,0]=3 564 B11R1.280 C=Cc1ccc(c(n1)OC)O 271570a_100011290941_100010893133 [1,0,0,0,0,0|1,0,0]=2 565 B11R1.280 C=Cc1cnc(c(c1)C#N)O 271570a_100011290941_100000697733 [1,0,0,0,0,0|3,0,0]=4 566 B11R1.280 C=Cc1cnc(c(c1)CO)O 271570a_100011290941_100010065268 [1,0,0,0,0,0|3,0,0]=4 567 B11R1.280 C=Cc1cnc(c(c1)NC)N 271570a_100011290941_100010506235 [1,0,0,0,0,0|3,0,0]=4 568 B11R1.280 C=Cc1cnc(c(c1)OC)C 271570a_100011290941_100010254219 [1,0,0,0,0,0|2,0,0]=3 569 B11R1.280 C=Cc1cnc(c(c1)OC)F 271570a_100011290941_100010214931 [1,0,0,0,0,0|2,0,0]=3 570 B11R1.280 C=Cc1cnc(c(c1)OC)N 271570a_100011290941_106354213024 [1,0,0,0,0,0|2,0,0]=3 571 B11R1.280 C=Cc1cnc(c(n1)OC)N 271570a_100011290941_100009816943 [1,0,0,0,0,0|3,0,0]=4 572 B11R1.280 C=Cc1cnc(c(n1)OC)O 271570a_100011290941_200010365344 [1,0,0,0,0,0|2,0,0]=3 573 B11R1.280 C=Cc1ncc(c(n1)OC)C 271570a_100011290941_100012500371 [1,0,0,0,0,0|3,0,0]=4 574 B11R1.280 C=Cc1ncc(c(n1)OC)F 271570a_100011290941_100012183945 [1,0,0,0,0,0|3,0,0]=4 575 B11R1.280 C=Cc1ncc(c(n1)OC)N 271570a_100011290941_100012122185 [1,0,0,0,0,0|3,0,0]=4 576 B11R1.280 CCc1cc(ccc1O)C#N 271570a_203496583355_100010115944 [1,0,0,0,0,0|2,0,1]=4 577 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [1,0,0,0,0,0|2,0,1]=4 578 B11R1.280 CCc1cc(ccc1O)SC 62a_200000210301_100012338938 [1,0,0,0,0,0|2,0,1]=4 579 B11R1.280 CCc1cc(ccc1O)S[13CH3] 62a_200025704644_100012338938 [1,0,0,0,0,0|2,0,1]=4 580 B11R1.280 CCc1ccc(c(c1)NC)C 2230a_200012022522_200000210301 [1,0,0,0,0,0|2,0,1]=4 581 B11R1.280 CCc1ccc(c(c1)NC)C 34a_200012022522_200000210301 [1,0,0,0,0,0|2,0,1]=4 582 B11R1.280 CCc1ccc(c(c1)NC)C 7a_200012022522_200000210301 [1,0,0,0,0,0|2,0,1]=4 583 B11R1.280 CCc1ccc(c(c1)NC)O 34a_100000765835_200000210301 [1,0,0,0,0,0|1,0,1]=3 584 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 2230a_200012022522_200025704644 [1,0,0,0,0,0|2,0,1]=4 585 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 34a_200012022522_200025704644 [1,0,0,0,0,0|2,0,1]=4 586 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 7a_200012022522_200025704644 [1,0,0,0,0,0|2,0,1]=4 587 B11R1.280 CCc1ccc(c(c1)N[13CH3])O 34a_100000765835_200025704644 [1,0,0,0,0,0|1,0,1]=3 588 B11R1.280 CCc1ccc(c(c1)OC)N 34a_100000124328_200000210301 [1,0,0,0,0,0|1,0,1]=3 589 B11R1.280 CCc1ccc(c(c1)OC)N 7a_100000124328_200000210301 [1,0,0,0,0,0|1,0,1]=3 590 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [1,0,0,0,0,0|0,0,1]=2 591 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 34a_100000124328_200025704644 [1,0,0,0,0,0|1,0,1]=3 592 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 7a_100000124328_200025704644 [1,0,0,0,0,0|1,0,1]=3 593 B11R1.280 CCc1ccc(c(c1)SC)F 62a_200000210301_200010244628 [1,0,0,0,0,0|1,1,1]=4 594 B11R1.280 CCc1ccc(c(c1)SC)F 62a_200010244628_200000210301 [1,0,0,0,0,0|1,1,1]=4 595 B11R1.280 CCc1ccc(c(c1)SC)N 62a_100012339725_200000210301 [1,0,0,0,0,0|1,1,1]=4 596 B11R1.280 CCc1ccc(c(c1)SC)N 62a_200000210301_100012339725 [1,0,0,0,0,0|1,1,1]=4 597 B11R1.280 CCc1ccc(c(c1)SC)O 62a_100012339963_200000210301 [1,0,0,0,0,0|0,1,1]=3 598 B11R1.280 CCc1ccc(c(c1)SC)O 62a_200000210301_100012339963 [1,0,0,0,0,0|0,1,1]=3 599 B11R1.280 CCc1ccc(c(c1)S[13CH3])F 62a_200010244628_200025704644 [1,0,0,0,0,0|1,1,1]=4 600 B11R1.280 CCc1ccc(c(c1)S[13CH3])F 62a_200025704644_200010244628 [1,0,0,0,0,0|1,1,1]=4 601 B11R1.280 CCc1ccc(c(c1)S[13CH3])N 62a_100012339725_200025704644 [1,0,0,0,0,0|1,1,1]=4 602 B11R1.280 CCc1ccc(c(c1)S[13CH3])N 62a_200025704644_100012339725 [1,0,0,0,0,0|1,1,1]=4 603 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_100012339963_200025704644 [1,0,0,0,0,0|0,1,1]=3 604 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_200025704644_100012339963 [1,0,0,0,0,0|0,1,1]=3 605 B11R1.280 CNc1cc(ccc1Br)CO 34a_100012347568_200000210301 [1,0,0,0,0,0|3,0,0]=4 606 B11R1.280 CNc1cc(ccc1C)CO 2230a_100000758420_200000210301 [1,0,0,0,0,0|3,0,0]=4 607 B11R1.280 CNc1cc(ccc1C)CO 34a_100000758420_200000210301 [1,0,0,0,0,0|3,0,0]=4 608 B11R1.280 CNc1cc(ccc1Cl)CO 34a_106256033963_200000210301 [1,0,0,0,0,0|3,0,0]=4 609 B11R1.280 CNc1cc(ccc1F)CO 2230a_102125399562_200000210301 [1,0,0,0,0,0|3,0,0]=4 610 B11R1.280 CNc1cc(ccc1F)CO 34a_102125399562_200000210301 [1,0,0,0,0,0|3,0,0]=4 611 B11R1.280 CNc1cc(ccc1O)C#N 34a_100000766272_200000210301 [1,0,0,0,0,0|2,0,1]=4 612 B11R1.280 CNc1cc(ccc1O)C#N 7a_100000766272_200000210301 [1,0,0,0,0,0|2,0,1]=4 613 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [1,0,0,0,0,0|2,0,0]=3 614 B11R1.280 CNc1cc(ccc1O)OC 34a_100000188146_200000210301 [1,0,0,0,0,0|2,0,1]=4 615 B11R1.280 CNc1ccc(c(c1)OC)Br 2230a_100000765947_200000210301 [1,0,0,0,0,0|2,0,1]=4 616 B11R1.280 CNc1ccc(c(c1)OC)Br 34a_100000765947_200000210301 [1,0,0,0,0,0|2,0,1]=4 617 B11R1.280 CNc1ccc(c(c1)OC)C 2230a_100011279678_200000210301 [1,0,0,0,0,0|2,0,1]=4 618 B11R1.280 CNc1ccc(c(c1)OC)C 34a_100011279678_200000210301 [1,0,0,0,0,0|2,0,1]=4 619 B11R1.280 CNc1ccc(c(c1)OC)Cl 2230a_100000742311_200000210301 [1,0,0,0,0,0|2,0,1]=4 620 B11R1.280 CNc1ccc(c(c1)OC)Cl 34a_100000742311_200000210301 [1,0,0,0,0,0|2,0,1]=4 621 B11R1.280 CNc1ccc(c(c1)OC)F 2230a_100000701188_200000210301 [1,0,0,0,0,0|2,0,1]=4 622 B11R1.280 CNc1ccc(c(c1)OC)F 34a_100000701188_200000210301 [1,0,0,0,0,0|2,0,1]=4 623 B11R1.280 CNc1ccc(c(c1)OC)I 34a_100000746945_200000210301 [1,0,0,0,0,0|2,0,1]=4 624 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [1,0,0,0,0,0|1,0,1]=3 625 B11R1.280 COc1cc(c(cn1)O)OC 271570a_203496583355_100010191559 [1,0,0,0,0,0|2,0,1]=4 626 B11R1.280 COc1cc(ccc1Br)C#N 34a_100009877741_200000210301 [1,0,0,0,0,0|2,0,1]=4 627 B11R1.280 COc1cc(ccc1Br)C#N 7a_100009877741_200000210301 [1,0,0,0,0,0|2,0,1]=4 628 B11R1.280 COc1cc(ccc1Br)CO 34a_100010191536_200000210301 [1,0,0,0,0,0|2,0,0]=3 629 B11R1.280 COc1cc(ccc1Br)CO 7a_100010191536_200000210301 [1,0,0,0,0,0|2,0,0]=3 630 B11R1.280 COc1cc(ccc1Br)N[13CH3] 2230a_100000765947_200025704644 [1,0,0,0,0,0|2,0,1]=4 631 B11R1.280 COc1cc(ccc1Br)N[13CH3] 34a_100000765947_200025704644 [1,0,0,0,0,0|2,0,1]=4 632 B11R1.280 COc1cc(ccc1Br)O[13CH3] 34a_100011827694_200025704644 [1,0,0,0,0,0|2,0,1]=4 633 B11R1.280 COc1cc(ccc1Br)O[13CH3] 7a_100011827694_200025704644 [1,0,0,0,0,0|2,0,1]=4 634 B11R1.280 COc1cc(ccc1Br)SC 62a_100012353699_200000210301 [1,0,0,0,0,0|2,0,1]=4 635 B11R1.280 COc1cc(ccc1Br)SC 62a_200000210301_100012353699 [1,0,0,0,0,0|2,0,1]=4 636 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_100012353699_200025704644 [1,0,0,0,0,0|2,0,1]=4 637 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_200025704644_100012353699 [1,0,0,0,0,0|2,0,1]=4 638 B11R1.280 COc1cc(ccc1C)C#N 34a_100000765541_200000210301 [1,0,0,0,0,0|2,0,1]=4 639 B11R1.280 COc1cc(ccc1C)C#N 7a_100000765541_200000210301 [1,0,0,0,0,0|2,0,1]=4 640 B11R1.280 COc1cc(ccc1C)N[13CH3] 2230a_100011279678_200025704644 [1,0,0,0,0,0|2,0,1]=4 641 B11R1.280 COc1cc(ccc1C)N[13CH3] 34a_100011279678_200025704644 [1,0,0,0,0,0|2,0,1]=4 642 B11R1.280 COc1cc(ccc1C)O[13CH3] 34a_100009865632_200025704644 [1,0,0,0,0,0|2,0,1]=4 643 B11R1.280 COc1cc(ccc1C)O[13CH3] 7a_100009865632_200025704644 [1,0,0,0,0,0|2,0,1]=4 644 B11R1.280 COc1cc(ccc1C)SC 62a_100011830276_200000210301 [1,0,0,0,0,0|2,0,1]=4 645 B11R1.280 COc1cc(ccc1C)SC 62a_200000210301_100011830276 [1,0,0,0,0,0|2,0,1]=4 646 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_100011830276_200025704644 [1,0,0,0,0,0|2,0,1]=4 647 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_200025704644_100011830276 [1,0,0,0,0,0|2,0,1]=4 648 B11R1.280 COc1cc(ccc1Cl)C#N 34a_100012186312_200000210301 [1,0,0,0,0,0|2,0,1]=4 649 B11R1.280 COc1cc(ccc1Cl)C#N 7a_100012186312_200000210301 [1,0,0,0,0,0|2,0,1]=4 650 B11R1.280 COc1cc(ccc1Cl)CN 34a_100020636435_200000210301 [1,0,0,0,0,0|2,0,0]=3 651 B11R1.280 COc1cc(ccc1Cl)CO 34a_100009876509_200000210301 [1,0,0,0,0,0|2,0,0]=3 652 B11R1.280 COc1cc(ccc1Cl)CO 7a_100009876509_200000210301 [1,0,0,0,0,0|2,0,0]=3 653 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 2230a_100000742311_200025704644 [1,0,0,0,0,0|2,0,1]=4 654 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 34a_100000742311_200025704644 [1,0,0,0,0,0|2,0,1]=4 655 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 34a_100012186310_200025704644 [1,0,0,0,0,0|2,0,1]=4 656 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 7a_100012186310_200025704644 [1,0,0,0,0,0|2,0,1]=4 657 B11R1.280 COc1cc(ccc1Cl)SC 62a_100011356853_200000210301 [1,0,0,0,0,0|2,0,1]=4 658 B11R1.280 COc1cc(ccc1Cl)SC 62a_200000210301_100011356853 [1,0,0,0,0,0|2,0,1]=4 659 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_100011356853_200025704644 [1,0,0,0,0,0|2,0,1]=4 660 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100011356853 [1,0,0,0,0,0|2,0,1]=4 661 B11R1.280 COc1cc(ccc1F)C#N 34a_100000069402_200000210301 [1,0,0,0,0,0|2,0,1]=4 662 B11R1.280 COc1cc(ccc1F)C#N 7a_100000069402_200000210301 [1,0,0,0,0,0|2,0,1]=4 663 B11R1.280 COc1cc(ccc1F)CN 34a_100160469508_200000210301 [1,0,0,0,0,0|2,0,0]=3 664 B11R1.280 COc1cc(ccc1F)CO 34a_100009842347_200000210301 [1,0,0,0,0,0|2,0,0]=3 665 B11R1.280 COc1cc(ccc1F)CO 7a_100009842347_200000210301 [1,0,0,0,0,0|2,0,0]=3 666 B11R1.280 COc1cc(ccc1F)N[13CH3] 2230a_100000701188_200025704644 [1,0,0,0,0,0|2,0,1]=4 667 B11R1.280 COc1cc(ccc1F)N[13CH3] 34a_100000701188_200025704644 [1,0,0,0,0,0|2,0,1]=4 668 B11R1.280 COc1cc(ccc1F)O[13CH3] 34a_100012001760_200025704644 [1,0,0,0,0,0|2,0,1]=4 669 B11R1.280 COc1cc(ccc1F)O[13CH3] 7a_100012001760_200025704644 [1,0,0,0,0,0|2,0,1]=4 670 B11R1.280 COc1cc(ccc1F)SC 62a_100011934186_200000210301 [1,0,0,0,0,0|2,0,1]=4 671 B11R1.280 COc1cc(ccc1F)SC 62a_200000210301_100011934186 [1,0,0,0,0,0|2,0,1]=4 672 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_100011934186_200025704644 [1,0,0,0,0,0|2,0,1]=4 673 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_200025704644_100011934186 [1,0,0,0,0,0|2,0,1]=4 674 B11R1.280 COc1cc(ccc1I)C#N 34a_100000724445_200000210301 [1,0,0,0,0,0|2,0,1]=4 675 B11R1.280 COc1cc(ccc1I)C#N 7a_100000724445_200000210301 [1,0,0,0,0,0|2,0,1]=4 676 B11R1.280 COc1cc(ccc1I)CO 34a_100000049605_200000210301 [1,0,0,0,0,0|2,0,0]=3 677 B11R1.280 COc1cc(ccc1I)CO 7a_100000049605_200000210301 [1,0,0,0,0,0|2,0,0]=3 678 B11R1.280 COc1cc(ccc1I)N[13CH3] 34a_100000746945_200025704644 [1,0,0,0,0,0|2,0,1]=4 679 B11R1.280 COc1cc(ccc1N)C#N 34a_100011997735_200000210301 [1,0,0,0,0,0|2,0,1]=4 680 B11R1.280 COc1cc(ccc1N)C#N 7a_100011997735_200000210301 [1,0,0,0,0,0|2,0,1]=4 681 B11R1.280 COc1cc(ccc1N)O[13CH3] 34a_100015326901_200025704644 [1,0,0,0,0,0|2,0,1]=4 682 B11R1.280 COc1cc(ccc1N)O[13CH3] 7a_100015326901_200025704644 [1,0,0,0,0,0|2,0,1]=4 683 B11R1.280 COc1cc(ccc1N)SC 62a_100011279103_200000210301 [1,0,0,0,0,0|2,0,1]=4 684 B11R1.280 COc1cc(ccc1N)SC 62a_200000210301_100015196925 [1,0,0,0,0,0|2,0,1]=4 685 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_100011279103_200025704644 [1,0,0,0,0,0|2,0,1]=4 686 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_200025704644_100015196925 [1,0,0,0,0,0|2,0,1]=4 687 B11R1.280 COc1cc(ccc1O)C#N 271570a_203496583355_100012356288 [1,0,0,0,0,0|1,0,1]=3 688 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [1,0,0,0,0,0|1,0,0]=2 689 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [1,0,0,0,0,0|1,0,0]=2 690 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [1,0,0,0,0,0|1,0,1]=3 691 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [1,0,0,0,0,0|1,0,1]=3 692 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [1,0,0,0,0,0|1,0,1]=3 693 B11R1.280 COc1cc(cnc1O)C#N 271570a_203496583355_200009864118 [1,0,0,0,0,0|2,0,1]=4 694 B11R1.280 COc1cc(ncc1O)C#N 271570a_203496583355_100010136804 [1,0,0,0,0,0|2,0,1]=4 695 B11R1.280 COc1cc(ncc1O)CO 271570a_203496583355_100010999569 [1,0,0,0,0,0|2,0,0]=3 696 B11R1.280 COc1ccc(c(c1)N[13CH3])O 34a_100000188146_200025704644 [1,0,0,0,0,0|2,0,1]=4 697 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100000719091_200000210301 [1,0,0,0,0,0|2,0,1]=4 698 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100011827694_200000210301 [1,0,0,0,0,0|2,0,1]=4 699 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100000719091_200000210301 [1,0,0,0,0,0|2,0,1]=4 700 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100011827694_200000210301 [1,0,0,0,0,0|2,0,1]=4 701 B11R1.280 COc1ccc(c(c1)OC)C 34a_100009865632_200000210301 [1,0,0,0,0,0|2,0,1]=4 702 B11R1.280 COc1ccc(c(c1)OC)C 34a_100012179981_200000210301 [1,0,0,0,0,0|2,0,1]=4 703 B11R1.280 COc1ccc(c(c1)OC)C 7a_100009865632_200000210301 [1,0,0,0,0,0|2,0,1]=4 704 B11R1.280 COc1ccc(c(c1)OC)C 7a_100012179981_200000210301 [1,0,0,0,0,0|2,0,1]=4 705 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100011516019_200000210301 [1,0,0,0,0,0|2,0,1]=4 706 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100012186310_200000210301 [1,0,0,0,0,0|2,0,1]=4 707 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100011516019_200000210301 [1,0,0,0,0,0|2,0,1]=4 708 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100012186310_200000210301 [1,0,0,0,0,0|2,0,1]=4 709 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012001760_200000210301 [1,0,0,0,0,0|2,0,1]=4 710 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012178750_200000210301 [1,0,0,0,0,0|2,0,1]=4 711 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012001760_200000210301 [1,0,0,0,0,0|2,0,1]=4 712 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012178750_200000210301 [1,0,0,0,0,0|2,0,1]=4 713 B11R1.280 COc1ccc(c(c1)OC)I 34a_100010168831_200000210301 [1,0,0,0,0,0|2,0,1]=4 714 B11R1.280 COc1ccc(c(c1)OC)I 7a_100010168831_200000210301 [1,0,0,0,0,0|2,0,1]=4 715 B11R1.280 COc1ccc(c(c1)OC)N 34a_100015326901_200000210301 [1,0,0,0,0,0|2,0,1]=4 716 B11R1.280 COc1ccc(c(c1)OC)N 34a_100016989039_200000210301 [1,0,0,0,0,0|2,0,1]=4 717 B11R1.280 COc1ccc(c(c1)OC)N 7a_100015326901_200000210301 [1,0,0,0,0,0|2,0,1]=4 718 B11R1.280 COc1ccc(c(c1)OC)N 7a_100016989039_200000210301 [1,0,0,0,0,0|2,0,1]=4 719 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [1,0,0,0,0,0|1,0,1]=3 720 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 34a_100000719091_200025704644 [1,0,0,0,0,0|2,0,1]=4 721 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 7a_100000719091_200025704644 [1,0,0,0,0,0|2,0,1]=4 722 B11R1.280 COc1ccc(c(c1)O[13CH3])C 34a_100012179981_200025704644 [1,0,0,0,0,0|2,0,1]=4 723 B11R1.280 COc1ccc(c(c1)O[13CH3])C 7a_100012179981_200025704644 [1,0,0,0,0,0|2,0,1]=4 724 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 34a_100011516019_200025704644 [1,0,0,0,0,0|2,0,1]=4 725 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 7a_100011516019_200025704644 [1,0,0,0,0,0|2,0,1]=4 726 B11R1.280 COc1ccc(c(c1)O[13CH3])F 34a_100012178750_200025704644 [1,0,0,0,0,0|2,0,1]=4 727 B11R1.280 COc1ccc(c(c1)O[13CH3])F 7a_100012178750_200025704644 [1,0,0,0,0,0|2,0,1]=4 728 B11R1.280 COc1ccc(c(c1)O[13CH3])I 34a_100010168831_200025704644 [1,0,0,0,0,0|2,0,1]=4 729 B11R1.280 COc1ccc(c(c1)O[13CH3])I 7a_100010168831_200025704644 [1,0,0,0,0,0|2,0,1]=4 730 B11R1.280 COc1ccc(c(c1)O[13CH3])N 34a_100016989039_200025704644 [1,0,0,0,0,0|2,0,1]=4 731 B11R1.280 COc1ccc(c(c1)O[13CH3])N 7a_100016989039_200025704644 [1,0,0,0,0,0|2,0,1]=4 732 B11R1.280 COc1ccc(c(c1)SC)O 62a_200000210301_100000685887 [1,0,0,0,0,0|1,1,1]=4 733 B11R1.280 COc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000685887 [1,0,0,0,0,0|1,1,1]=4 734 B11R1.280 COc1ccc(c(n1)OC)O 271570a_203496583355_100009816055 [1,0,0,0,0,0|2,0,1]=4 735 B11R1.280 COc1nc(ccc1O)SC 62a_200000210301_100010893133 [1,0,0,0,0,0|2,0,1]=4 736 B11R1.280 COc1nc(ccc1O)S[13CH3] 62a_200025704644_100010893133 [1,0,0,0,0,0|2,0,1]=4 737 B11R1.280 CSc1cc(ccc1Br)C=O 62a_100010146563_200000210301 [1,0,0,0,0,0|2,1,0]=4 738 B11R1.280 CSc1cc(ccc1Br)C=O 62a_200000210301_100010146563 [1,0,0,0,0,0|2,1,0]=4 739 B11R1.280 CSc1cc(ccc1C)C=O 62a_100000695567_200000210301 [1,0,0,0,0,0|2,1,0]=4 740 B11R1.280 CSc1cc(ccc1C)C=O 62a_200000210301_100000695567 [1,0,0,0,0,0|2,1,0]=4 741 B11R1.280 CSc1cc(ccc1C)CO 62a_100000708995_200000210301 [1,0,0,0,0,0|2,1,0]=4 742 B11R1.280 CSc1cc(ccc1C)CO 62a_200000210301_100000708995 [1,0,0,0,0,0|2,1,0]=4 743 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_100010209939_200000210301 [1,0,0,0,0,0|2,1,0]=4 744 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_200000210301_100010209939 [1,0,0,0,0,0|2,1,0]=4 745 B11R1.280 CSc1cc(ccc1F)C=O 62a_100000211747_200000210301 [1,0,0,0,0,0|2,1,0]=4 746 B11R1.280 CSc1cc(ccc1F)C=O 62a_200000210301_100000211747 [1,0,0,0,0,0|2,1,0]=4 747 B11R1.280 CSc1cc(ccc1F)CN 62a_100015193890_200000210301 [1,0,0,0,0,0|2,1,0]=4 748 B11R1.280 CSc1cc(ccc1F)CN 62a_200000210301_100015193890 [1,0,0,0,0,0|2,1,0]=4 749 B11R1.280 CSc1cc(ccc1F)CO 62a_100000246287_200000210301 [1,0,0,0,0,0|2,1,0]=4 750 B11R1.280 CSc1cc(ccc1F)CO 62a_200000210301_100000246287 [1,0,0,0,0,0|2,1,0]=4 751 B11R1.280 CSc1cc(ccc1O)C#N 62a_200000210301_100000725478 [1,0,0,0,0,0|1,1,1]=4 752 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [1,0,0,0,0,0|1,1,0]=3 753 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [1,0,0,0,0,0|1,1,0]=3 754 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [1,0,0,0,0,0|1,1,0]=3 755 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [1,0,0,0,0,0|1,1,0]=3 756 B11R1.280 CSc1cc(cnc1O)C=O 62a_100010064886_200000210301 [1,0,0,0,0,0|2,1,0]=4 757 B11R1.280 CSc1cc(cnc1O)C=O 62a_200000210301_100010064886 [1,0,0,0,0,0|2,1,0]=4 758 B11R1.280 CSc1nc(ccc1O)CO 62a_200000210301_200000118097 [1,0,0,0,0,0|2,1,0]=4 759 B11R1.280 CSc1nc(ccc1O)CO 62a_200009817064_200000210301 [1,0,0,0,0,0|2,1,0]=4 760 B11R1.280 Cc1ccc(cc1N[13CH3])CO 2230a_100000758420_200025704644 [1,0,0,0,0,0|3,0,0]=4 761 B11R1.280 Cc1ccc(cc1N[13CH3])CO 34a_100000758420_200025704644 [1,0,0,0,0,0|3,0,0]=4 762 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 34a_100000765541_200025704644 [1,0,0,0,0,0|2,0,1]=4 763 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 7a_100000765541_200025704644 [1,0,0,0,0,0|2,0,1]=4 764 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_100000695567_200025704644 [1,0,0,0,0,0|2,1,0]=4 765 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000695567 [1,0,0,0,0,0|2,1,0]=4 766 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_100000708995_200025704644 [1,0,0,0,0,0|2,1,0]=4 767 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_200025704644_100000708995 [1,0,0,0,0,0|2,1,0]=4 768 B11R1.280 N#Cc1cc(ccc1O)C=O 271570a_203496583355_100010128726 [1,0,0,0,0,0|3,0,0]=4 769 B11R1.280 N#Cc1cc(ccc1O)CN 271570a_203496583355_100009846983 [1,0,0,0,0,0|3,0,0]=4 770 B11R1.280 N#Cc1cc(ccc1O)CO 271570a_203496583355_100010145894 [1,0,0,0,0,0|3,0,0]=4 771 B11R1.280 O=Cc1ccc(c(c1)CO)O 271570a_203496583355_100015639582 [1,0,0,0,0,0|3,0,0]=4 772 B11R1.280 [13CH3]Nc1cc(ccc1Br)CO 34a_100012347568_200025704644 [1,0,0,0,0,0|3,0,0]=4 773 B11R1.280 [13CH3]Nc1cc(ccc1Cl)CO 34a_106256033963_200025704644 [1,0,0,0,0,0|3,0,0]=4 774 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 2230a_102125399562_200025704644 [1,0,0,0,0,0|3,0,0]=4 775 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 34a_102125399562_200025704644 [1,0,0,0,0,0|3,0,0]=4 776 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 34a_100000766272_200025704644 [1,0,0,0,0,0|2,0,1]=4 777 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 7a_100000766272_200025704644 [1,0,0,0,0,0|2,0,1]=4 778 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [1,0,0,0,0,0|2,0,0]=3 779 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 34a_100009877741_200025704644 [1,0,0,0,0,0|2,0,1]=4 780 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 7a_100009877741_200025704644 [1,0,0,0,0,0|2,0,1]=4 781 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 34a_100010191536_200025704644 [1,0,0,0,0,0|2,0,0]=3 782 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 7a_100010191536_200025704644 [1,0,0,0,0,0|2,0,0]=3 783 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 34a_100012186312_200025704644 [1,0,0,0,0,0|2,0,1]=4 784 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 7a_100012186312_200025704644 [1,0,0,0,0,0|2,0,1]=4 785 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CN 34a_100020636435_200025704644 [1,0,0,0,0,0|2,0,0]=3 786 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 34a_100009876509_200025704644 [1,0,0,0,0,0|2,0,0]=3 787 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 7a_100009876509_200025704644 [1,0,0,0,0,0|2,0,0]=3 788 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 34a_100000069402_200025704644 [1,0,0,0,0,0|2,0,1]=4 789 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 7a_100000069402_200025704644 [1,0,0,0,0,0|2,0,1]=4 790 B11R1.280 [13CH3]Oc1cc(ccc1F)CN 34a_100160469508_200025704644 [1,0,0,0,0,0|2,0,0]=3 791 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 34a_100009842347_200025704644 [1,0,0,0,0,0|2,0,0]=3 792 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 7a_100009842347_200025704644 [1,0,0,0,0,0|2,0,0]=3 793 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 34a_100000724445_200025704644 [1,0,0,0,0,0|2,0,1]=4 794 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 7a_100000724445_200025704644 [1,0,0,0,0,0|2,0,1]=4 795 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 34a_100000049605_200025704644 [1,0,0,0,0,0|2,0,0]=3 796 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 7a_100000049605_200025704644 [1,0,0,0,0,0|2,0,0]=3 797 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 34a_100011997735_200025704644 [1,0,0,0,0,0|2,0,1]=4 798 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 7a_100011997735_200025704644 [1,0,0,0,0,0|2,0,1]=4 799 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_100010146563_200025704644 [1,0,0,0,0,0|2,1,0]=4 800 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_200025704644_100010146563 [1,0,0,0,0,0|2,1,0]=4 801 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_100010209939_200025704644 [1,0,0,0,0,0|2,1,0]=4 802 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_200025704644_100010209939 [1,0,0,0,0,0|2,1,0]=4 803 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_100000211747_200025704644 [1,0,0,0,0,0|2,1,0]=4 804 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_200025704644_100000211747 [1,0,0,0,0,0|2,1,0]=4 805 B11R1.280 [13CH3]Sc1cc(ccc1F)CN 62a_100015193890_200025704644 [1,0,0,0,0,0|2,1,0]=4 806 B11R1.280 [13CH3]Sc1cc(ccc1F)CN 62a_200025704644_100015193890 [1,0,0,0,0,0|2,1,0]=4 807 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_100000246287_200025704644 [1,0,0,0,0,0|2,1,0]=4 808 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_200025704644_100000246287 [1,0,0,0,0,0|2,1,0]=4 809 B11R1.280 [13CH3]Sc1cc(ccc1O)C#N 62a_200025704644_100000725478 [1,0,0,0,0,0|1,1,1]=4 810 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [1,0,0,0,0,0|1,1,0]=3 811 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [1,0,0,0,0,0|1,1,0]=3 812 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [1,0,0,0,0,0|1,1,0]=3 813 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [1,0,0,0,0,0|1,1,0]=3 814 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_100010064886_200025704644 [1,0,0,0,0,0|2,1,0]=4 815 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_200025704644_100010064886 [1,0,0,0,0,0|2,1,0]=4 816 B11R1.280 [13CH3]Sc1nc(ccc1O)CO 62a_200009817064_200025704644 [1,0,0,0,0,0|2,1,0]=4 817 B11R1.280 [13CH3]Sc1nc(ccc1O)CO 62a_200025704644_200000118097 [1,0,0,0,0,0|2,1,0]=4 818 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210202 [0,1,0,0,0,0|0,0,3]=4 819 B13R1.49 CNC(=O)c1ccc(c(c1)OC)O 240690a_100102657272_100000687070 [0,1,0,0,0,0|1,0,2]=4 820 B13R1.49 CNC(C)c1ccc(c(c1)OC)Br 269862a_106832991636_100010110075 [0,1,0,0,0,0|2,0,1]=4 821 B13R1.49 CNC(C)c1ccc(c(c1)OC)C 269862a_106832991636_100012706825 [0,1,0,0,0,0|2,0,1]=4 822 B13R1.49 CNC(C)c1ccc(c(c1)OC)Cl 269862a_106832991636_100012002813 [0,1,0,0,0,0|2,0,1]=4 823 B13R1.49 CNC(C)c1ccc(c(c1)OC)F 269862a_106832991636_100000694624 [0,1,0,0,0,0|2,0,1]=4 824 B13R1.49 CN[C@@H](C)c1ccc(c(c1)OC)F 2230a_100025717271_200000210301 [0,1,0,0,0,0|2,0,1]=4 825 B13R1.49 CN[C@@H](C)c1ccc(c(c1)OC)F 34a_100025717271_200000210301 [0,1,0,0,0,0|2,0,1]=4 826 B13R1.49 COC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100009816954 [0,1,0,0,0,0|1,0,2]=4 827 B13R1.49 COc1cc(ccc1F)[C@H](C)N[13CH3] 2230a_100025717271_200025704644 [0,1,0,0,0,0|2,0,1]=4 828 B13R1.49 COc1cc(ccc1F)[C@H](C)N[13CH3] 34a_100025717271_200025704644 [0,1,0,0,0,0|2,0,1]=4 829 B13R1.49 COc1cc(ccc1O)C(=O)CF 1458a_100000687070_100015361967 [0,1,0,0,0,0|1,0,2]=4 830 B13R1.52 C=Cc1cc(ccc1O)CC(=O)C 271570a_100011290941_100010141077 [0,1,0,0,0,0|1,0,2]=4 831 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010141077_200025704644 [0,1,0,0,0,0|0,1,1]=3 832 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010141077 [0,1,0,0,0,0|0,1,1]=3 833 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 34a_100011935283_200025704644 [0,1,0,0,0,0|2,0,1]=4 834 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 7a_100011935283_200025704644 [0,1,0,0,0,0|2,0,1]=4 835 B13R1.52 CCc1cc(ccc1O)C=C(C)C 271570a_100102525489_100012338938 [0,1,0,0,0,0|1,0,2]=4 836 B13R1.52 COc1cc(ccc1Br)C=C(C)C 271570a_100102525489_100012353699 [0,1,0,0,0,0|1,0,2]=4 837 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [0,1,0,0,0,0|1,0,1]=3 838 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [0,1,0,0,0,0|1,0,1]=3 839 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [0,1,0,0,0,0|1,0,1]=3 840 B13R1.52 COc1cc(ccc1Br)CN(C)C 2230a_100102631434_100010110085 [0,1,0,0,0,0|2,0,1]=4 841 B13R1.52 COc1cc(ccc1Br)CN(C)C 269982a_100102631434_100010110085 [0,1,0,0,0,0|2,0,1]=4 842 B13R1.52 COc1cc(ccc1Br)CN(C)C 270004a_100102631434_100010244714 [0,1,0,0,0,0|2,0,1]=4 843 B13R1.52 COc1cc(ccc1Br)NC(=O)C 11a_100000765947_100015343762 [0,1,0,0,0,0|2,0,1]=4 844 B13R1.52 COc1cc(ccc1Br)NC(=O)C 1626a_100000765947_100015343762 [0,1,0,0,0,0|2,0,1]=4 845 B13R1.52 COc1cc(ccc1Br)NC(=O)C 22a_100000765947_100000070787 [0,1,0,0,0,0|2,0,1]=4 846 B13R1.52 COc1cc(ccc1Br)NC(=O)C 527a_100000765947_100103153847 [0,1,0,0,0,0|2,0,1]=4 847 B13R1.52 COc1cc(ccc1C)C=C(C)C 271570a_100102525489_100011830276 [0,1,0,0,0,0|1,0,2]=4 848 B13R1.52 COc1cc(ccc1C)CN(C)C 270004a_100102631434_100000719150 [0,1,0,0,0,0|2,0,1]=4 849 B13R1.52 COc1cc(ccc1C)NC(=O)C 11a_100011279678_100015343762 [0,1,0,0,0,0|2,0,1]=4 850 B13R1.52 COc1cc(ccc1C)NC(=O)C 1626a_100011279678_100015343762 [0,1,0,0,0,0|2,0,1]=4 851 B13R1.52 COc1cc(ccc1C)NC(=O)C 22a_100011279678_100000070787 [0,1,0,0,0,0|2,0,1]=4 852 B13R1.52 COc1cc(ccc1C)NC(=O)C 527a_100011279678_100103153847 [0,1,0,0,0,0|2,0,1]=4 853 B13R1.52 COc1cc(ccc1Cl)C=C(C)C 271570a_100102525489_100011356853 [0,1,0,0,0,0|1,0,2]=4 854 B13R1.52 COc1cc(ccc1Cl)CC(=O)C 1458a_100000070787_200010214485 [0,1,0,0,0,0|1,0,1]=3 855 B13R1.52 COc1cc(ccc1Cl)CN(C)C 2230a_100102631434_200010214485 [0,1,0,0,0,0|2,0,1]=4 856 B13R1.52 COc1cc(ccc1Cl)CN(C)C 269982a_100102631434_200010214485 [0,1,0,0,0,0|2,0,1]=4 857 B13R1.52 COc1cc(ccc1Cl)CN(C)C 270004a_100102631434_100011998524 [0,1,0,0,0,0|2,0,1]=4 858 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 11a_100000742311_100015343762 [0,1,0,0,0,0|2,0,1]=4 859 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 1626a_100000742311_100015343762 [0,1,0,0,0,0|2,0,1]=4 860 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 22a_100000742311_100000070787 [0,1,0,0,0,0|2,0,1]=4 861 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 34a_100011935283_200000210301 [0,1,0,0,0,0|2,0,1]=4 862 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 527a_100000742311_100103153847 [0,1,0,0,0,0|2,0,1]=4 863 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 7a_100011935283_200000210301 [0,1,0,0,0,0|2,0,1]=4 864 B13R1.52 COc1cc(ccc1F)C=C(C)C 271570a_100102525489_100011934186 [0,1,0,0,0,0|1,0,2]=4 865 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000070787_100012349856 [0,1,0,0,0,0|1,0,1]=3 866 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000117344_200000210301 [0,1,0,0,0,0|1,0,1]=3 867 B13R1.52 COc1cc(ccc1F)CC(=O)[13CH3] 1458a_100000117344_200025704644 [0,1,0,0,0,0|1,0,1]=3 868 B13R1.52 COc1cc(ccc1F)CN(C)C 2230a_100102631434_100012349856 [0,1,0,0,0,0|2,0,1]=4 869 B13R1.52 COc1cc(ccc1F)CN(C)C 269982a_100102631434_100012349856 [0,1,0,0,0,0|2,0,1]=4 870 B13R1.52 COc1cc(ccc1F)CN(C)C 270004a_100102631434_100000692873 [0,1,0,0,0,0|2,0,1]=4 871 B13R1.52 COc1cc(ccc1F)NC(=O)C 11a_100000701188_100015343762 [0,1,0,0,0,0|2,0,1]=4 872 B13R1.52 COc1cc(ccc1F)NC(=O)C 1626a_100000701188_100015343762 [0,1,0,0,0,0|2,0,1]=4 873 B13R1.52 COc1cc(ccc1F)NC(=O)C 22a_100000701188_100000070787 [0,1,0,0,0,0|2,0,1]=4 874 B13R1.52 COc1cc(ccc1F)NC(=O)C 527a_100000701188_100103153847 [0,1,0,0,0,0|2,0,1]=4 875 B13R1.52 COc1cc(ccc1I)NC(=O)C 11a_100000746945_100015343762 [0,1,0,0,0,0|2,0,1]=4 876 B13R1.52 COc1cc(ccc1I)NC(=O)C 1626a_100000746945_100015343762 [0,1,0,0,0,0|2,0,1]=4 877 B13R1.52 COc1cc(ccc1I)NC(=O)C 22a_100000746945_100000070787 [0,1,0,0,0,0|2,0,1]=4 878 B13R1.52 COc1cc(ccc1I)NC(=O)C 527a_100000746945_100103153847 [0,1,0,0,0,0|2,0,1]=4 879 B13R1.52 COc1cc(ccc1N)C=C(C)C 271570a_100102525489_100011279103 [0,1,0,0,0,0|1,0,2]=4 880 B13R1.52 COc1cc(ccc1O)C=C(C)C 271570a_100102525489_100000694246 [0,1,0,0,0,0|0,0,2]=3 881 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [0,1,0,0,0,0|0,0,1]=2 882 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [0,1,0,0,0,0|0,0,1]=2 883 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [0,1,0,0,0,0|1,0,1]=3 884 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [0,1,0,0,0,0|1,0,1]=3 885 B13R1.52 COc1cc(ccc1O)NC(C)C 34a_100000726020_100000210206 [0,1,0,0,0,0|1,0,2]=4 886 B13R1.52 COc1cc(ccc1O)SC(C)C 62a_100000210206_100000694246 [0,1,0,0,0,0|1,0,2]=4 887 B13R1.52 COc1nc(ccc1Br)CC(=O)C 1458a_100000070787_200010066506 [0,1,0,0,0,0|2,0,1]=4 888 B13R1.52 COc1nc(ccc1O)C=C(C)C 271570a_100102525489_100010893133 [0,1,0,0,0,0|1,0,2]=4 889 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_100010141077_200000210301 [0,1,0,0,0,0|0,1,1]=3 890 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_200000210301_100010141077 [0,1,0,0,0,0|0,1,1]=3 891 B13R1.384 C=C=Cc1ccc(c(c1)CNC)O 271570a_100015277604_100011602694 [0,1,0,0,0,0|1,0,2]=4 892 B13R1.384 C=C=Cc1ccc(c(c1)COC)Br 271570a_100015277604_202125822959 [0,1,0,0,0,0|1,0,2]=4 893 B13R1.384 C=C=Cc1ccc(c(c1)COC)F 271570a_100015277604_100010140362 [0,1,0,0,0,0|1,0,2]=4 894 B13R1.384 C=C=Cc1ccc(c(c1)OCC)C 271570a_100015277604_100012361169 [0,1,0,0,0,0|1,0,2]=4 895 B13R1.384 C=C=Cc1ccc(c(c1)OCC)F 271570a_100015277604_200012344967 [0,1,0,0,0,0|1,0,2]=4 896 B13R1.384 C=C=Cc1ccc(c(c1)OCC)N 271570a_100015277604_100000688918 [0,1,0,0,0,0|1,0,2]=4 897 B13R1.384 CC=Cc1ccc(c(c1)CNC)O 271570a_100016259895_100011602694 [0,1,0,0,0,0|1,0,2]=4 898 B13R1.384 CC=Cc1ccc(c(c1)COC)Br 271570a_100016259895_202125822959 [0,1,0,0,0,0|1,0,2]=4 899 B13R1.384 CC=Cc1ccc(c(c1)COC)F 271570a_100016259895_100010140362 [0,1,0,0,0,0|1,0,2]=4 900 B13R1.384 CC=Cc1ccc(c(c1)OCC)C 271570a_100016259895_100012361169 [0,1,0,0,0,0|1,0,2]=4 901 B13R1.384 CC=Cc1ccc(c(c1)OCC)F 271570a_100016259895_200012344967 [0,1,0,0,0,0|1,0,2]=4 902 B13R1.384 CC=Cc1ccc(c(c1)OCC)N 271570a_100016259895_100000688918 [0,1,0,0,0,0|1,0,2]=4 903 B13R1.384 CCOc1cc(ccc1Br)CNC 207a_100102657272_200010381951 [0,1,0,0,0,0|2,0,1]=4 904 B13R1.384 CCOc1cc(ccc1Br)CNC 270004a_106832991635_200010381951 [0,1,0,0,0,0|2,0,1]=4 905 B13R1.384 CCOc1cc(ccc1F)CNC 207a_100102657272_200000106648 [0,1,0,0,0,0|2,0,1]=4 906 B13R1.384 CCOc1cc(ccc1F)CNC 270004a_106832991635_200000106648 [0,1,0,0,0,0|2,0,1]=4 907 B13R1.384 CCOc1cc(ccc1O)CNC 34a_200000751567_200000210301 [0,1,0,0,0,0|1,0,1]=3 908 B13R1.384 CCOc1cc(ccc1O)CN[13CH3] 34a_200000751567_200025704644 [0,1,0,0,0,0|1,0,1]=3 909 B13R1.386 C=C=Cc1cc(c(cn1)CO)OC 271570a_100015277604_100010714672 [0,1,0,0,0,0|1,0,2]=4 910 B13R1.386 C=C=Cc1ccc(c(c1)CC)OC 271570a_100015277604_200010179862 [0,1,0,0,0,0|1,0,2]=4 911 B13R1.386 C=C=Cc1ccc(c(c1)OC)C#N 271570a_100015277604_100000694671 [0,1,0,0,0,0|1,0,2]=4 912 B13R1.386 C=C=Cc1ccc(c(c1)OC)C=O 271570a_100015277604_100000697075 [0,1,0,0,0,0|0,0,3]=4 913 B13R1.386 C=C=Cc1ccc(c(c1)OC)CC 271570a_100015277604_200010710398 [0,1,0,0,0,0|1,0,2]=4 914 B13R1.386 C=C=Cc1ccc(c(c1)OC)CO 271570a_100015277604_100011277633 [0,1,0,0,0,0|0,0,2]=3 915 B13R1.386 C=C=Cc1ccc(c(c1)OC)OC 271570a_100015277604_100000187503 [0,1,0,0,0,0|0,0,2]=3 916 B13R1.386 C=C=Cc1ccc(c(c1)OC)SC 271570a_100015277604_200011001119 [0,1,0,0,0,0|0,1,2]=4 917 B13R1.386 C=C=Cc1ccc(c(c1)SC)OC 271570a_100015277604_200009892704 [0,1,0,0,0,0|0,1,2]=4 918 B13R1.386 C=C=Cc1ccc(c(n1)OC)CO 271570a_100015277604_100010988397 [0,1,0,0,0,0|1,0,2]=4 919 B13R1.386 C=C=Cc1ccc(c(n1)OC)OC 271570a_100015277604_100010214848 [0,1,0,0,0,0|1,0,2]=4 920 B13R1.386 C=C=Cc1cnc(c(c1)OC)CO 271570a_100015277604_200010246159 [0,1,0,0,0,0|1,0,2]=4 921 B13R1.386 C=C=Cc1cnc(c(c1)OC)OC 271570a_100015277604_100010234541 [0,1,0,0,0,0|1,0,2]=4 922 B13R1.386 C=CCc1ccc(c(c1)OC)OC 34a_100000181329_200000210301 [0,1,0,0,0,0|0,0,0]=1 923 B13R1.386 C=CCc1ccc(c(c1)OC)O[13CH3] 34a_100000181329_200025704644 [0,1,0,0,0,0|0,0,0]=1 924 B13R1.386 C=Cc1ccc(cc1OC)CC#N 271570a_100011290941_100010176002 [0,1,0,0,0,0|2,0,1]=4 925 B13R1.386 CC=Cc1cc(c(cn1)CO)OC 271570a_100016259895_100010714672 [0,1,0,0,0,0|1,0,2]=4 926 B13R1.386 CC=Cc1ccc(c(c1)CC)OC 271570a_100016259895_200010179862 [0,1,0,0,0,0|1,0,2]=4 927 B13R1.386 CC=Cc1ccc(c(c1)OC)C#N 271570a_100016259895_100000694671 [0,1,0,0,0,0|1,0,2]=4 928 B13R1.386 CC=Cc1ccc(c(c1)OC)C=O 271570a_100016259895_100000697075 [0,1,0,0,0,0|0,0,3]=4 929 B13R1.386 CC=Cc1ccc(c(c1)OC)CC 271570a_100016259895_200010710398 [0,1,0,0,0,0|1,0,2]=4 930 B13R1.386 CC=Cc1ccc(c(c1)OC)CO 271570a_100016259895_100011277633 [0,1,0,0,0,0|0,0,2]=3 931 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 271570a_100016259895_100000187503 [0,1,0,0,0,0|0,0,2]=3 932 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 34a_100015195088_200000210301 [0,1,0,0,0,0|0,0,2]=3 933 B13R1.386 CC=Cc1ccc(c(c1)OC)O[13CH3] 34a_100015195088_200025704644 [0,1,0,0,0,0|0,0,2]=3 934 B13R1.386 CC=Cc1ccc(c(c1)OC)SC 271570a_100016259895_200011001119 [0,1,0,0,0,0|0,1,2]=4 935 B13R1.386 CC=Cc1ccc(c(c1)SC)OC 271570a_100016259895_200009892704 [0,1,0,0,0,0|0,1,2]=4 936 B13R1.386 CC=Cc1ccc(c(n1)OC)CO 271570a_100016259895_100010988397 [0,1,0,0,0,0|1,0,2]=4 937 B13R1.386 CC=Cc1ccc(c(n1)OC)OC 271570a_100016259895_100010214848 [0,1,0,0,0,0|1,0,2]=4 938 B13R1.386 CC=Cc1cnc(c(c1)OC)CO 271570a_100016259895_200010246159 [0,1,0,0,0,0|1,0,2]=4 939 B13R1.386 CC=Cc1cnc(c(c1)OC)OC 271570a_100016259895_100010234541 [0,1,0,0,0,0|1,0,2]=4 940 B13R1.386 CCCc1ccc(c(c1)OC)OC 34a_100000012292_200000210301 [0,1,0,0,0,0|0,0,2]=3 941 B13R1.386 CCCc1ccc(c(c1)OC)OC 7a_100000012292_200000210301 [0,1,0,0,0,0|0,0,2]=3 942 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 34a_100000012292_200025704644 [0,1,0,0,0,0|0,0,2]=3 943 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 7a_100000012292_200025704644 [0,1,0,0,0,0|0,0,2]=3 944 B13R1.386 CCNc1ccc(c(c1)OC)CO 34a_100012183141_100000210202 [0,1,0,0,0,0|1,0,2]=4 945 B13R1.386 CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210202 [0,1,0,0,0,0|1,0,2]=4 946 B13R1.386 CCOc1ccc(c(c1)OC)CO 34a_200000116926_100000210202 [0,1,0,0,0,0|1,0,2]=4 947 B13R1.386 CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210202 [0,1,0,0,0,0|1,0,2]=4 948 B13R1.386 CCSc1ccc(c(c1)OC)CO 62a_100000210202_100011277633 [0,1,0,0,0,0|1,0,2]=4 949 B13R1.386 CCSc1ccc(c(c1)OC)CO 62a_100011277633_100000210202 [0,1,0,0,0,0|1,0,2]=4 950 B13R1.386 CCSc1ccc(c(c1)OC)OC 62a_100000210202_100011356967 [0,1,0,0,0,0|1,0,2]=4 951 B13R1.386 CNCc1ccc(c(c1)OC)C#N 207a_100102657272_100000726430 [0,1,0,0,0,0|2,0,1]=4 952 B13R1.386 CNCc1ccc(c(c1)OC)C#N 270004a_106832991635_100000726430 [0,1,0,0,0,0|2,0,1]=4 953 B13R1.386 CNCc1ccc(c(c1)OC)OC 207a_100102657272_100000170513 [0,1,0,0,0,0|1,0,1]=3 954 B13R1.386 CNCc1ccc(c(c1)OC)OC 2230a_106832991635_100011233839 [0,1,0,0,0,0|1,0,1]=3 955 B13R1.386 CNCc1ccc(c(c1)OC)OC 270004a_106832991635_100000170513 [0,1,0,0,0,0|1,0,1]=3 956 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000185555_200000210301 [0,1,0,0,0,0|1,0,1]=3 957 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000188468_200000210301 [0,1,0,0,0,0|1,0,1]=3 958 B13R1.386 CNCc1ccc(c(c1)OC)SC 207a_100102657272_100000050949 [0,1,0,0,0,0|1,1,1]=4 959 B13R1.386 CNCc1ccc(c(c1)OC)SC 270004a_106832991635_100000050949 [0,1,0,0,0,0|1,1,1]=4 960 B13R1.386 CNCc1ccc(c(c1)O[13CH3])OC 34a_100000188468_200025704644 [0,1,0,0,0,0|1,0,1]=3 961 B13R1.386 CNCc1cnc(c(c1)OC)OC 207a_100102657272_100000117638 [0,1,0,0,0,0|2,0,1]=4 962 B13R1.386 CNCc1cnc(c(c1)OC)OC 270004a_106832991635_100000117638 [0,1,0,0,0,0|2,0,1]=4 963 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [0,1,0,0,0,0|1,0,1]=3 964 B13R1.386 COc1cc(ccc1CO)NCF 34a_100012183141_100015361967 [0,1,0,0,0,0|2,0,1]=4 965 B13R1.386 COc1cc(ccc1CO)OCF 34a_200000116926_100015361967 [0,1,0,0,0,0|2,0,1]=4 966 B13R1.386 COc1cc(ccc1CO)SCF 62a_100011277633_100015361967 [0,1,0,0,0,0|2,0,1]=4 967 B13R1.386 COc1cc(ccc1CO)SCF 62a_100015361967_100011277633 [0,1,0,0,0,0|2,0,1]=4 968 B13R1.386 COc1cc(ccc1O[13CH3])CC#N 34a_100000032377_200025704644 [0,1,0,0,0,0|1,0,1]=3 969 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 34a_100010741665_200025704644 [0,1,0,0,0,0|1,0,1]=3 970 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 7a_100010741665_200025704644 [0,1,0,0,0,0|1,0,1]=3 971 B13R1.386 COc1cc(ccc1O[13CH3])CCN 34a_100000756042_200025704644 [0,1,0,0,0,0|1,0,1]=3 972 B13R1.386 COc1cc(ccc1O[13CH3])CCO 34a_100011215244_200025704644 [0,1,0,0,0,0|1,0,1]=3 973 B13R1.386 COc1cc(ccc1SC)CC#N 62a_100010176002_200000210301 [0,1,0,0,0,0|1,1,1]=4 974 B13R1.386 COc1cc(ccc1SC)CC#N 62a_200000210301_100010176002 [0,1,0,0,0,0|1,1,1]=4 975 B13R1.386 COc1cc(ccc1S[13CH3])CC#N 62a_100010176002_200025704644 [0,1,0,0,0,0|1,1,1]=4 976 B13R1.386 COc1cc(ccc1S[13CH3])CC#N 62a_200025704644_100010176002 [0,1,0,0,0,0|1,1,1]=4 977 B13R1.386 COc1ccc(cc1OC)CC#N 34a_100000032377_200000210301 [0,1,0,0,0,0|1,0,1]=3 978 B13R1.386 COc1ccc(cc1OC)CCBr 34a_100010741665_200000210301 [0,1,0,0,0,0|1,0,1]=3 979 B13R1.386 COc1ccc(cc1OC)CCBr 7a_100010741665_200000210301 [0,1,0,0,0,0|1,0,1]=3 980 B13R1.386 COc1ccc(cc1OC)CCN 34a_100000756042_200000210301 [0,1,0,0,0,0|1,0,1]=3 981 B13R1.386 COc1ccc(cc1OC)CCN 34a_100011207234_200000210301 [0,1,0,0,0,0|1,0,1]=3 982 B13R1.386 COc1ccc(cc1OC)CCO 34a_100011215244_200000210301 [0,1,0,0,0,0|1,0,1]=3 983 B13R1.386 COc1ccc(cc1OC)CN[13CH3] 34a_100000185555_200025704644 [0,1,0,0,0,0|1,0,1]=3 984 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [0,1,0,0,0,0|1,0,1]=3 985 B13R1.386 COc1ccc(cc1OC)CSC 62a_200000210301_100011233839 [0,1,0,0,0,0|1,0,1]=3 986 B13R1.386 COc1ccc(cc1OC)CS[13CH3] 62a_200025704644_100011233839 [0,1,0,0,0,0|1,0,1]=3 987 B13R1.386 COc1ccc(cc1OC)NCF 34a_100000187404_100015361967 [0,1,0,0,0,0|2,0,1]=4 988 B13R1.386 COc1ccc(cc1OC)OCF 34a_100000039706_100015361967 [0,1,0,0,0,0|2,0,1]=4 989 B13R1.386 COc1ccc(cc1OC)SCF 62a_100015361967_100011356967 [0,1,0,0,0,0|2,0,1]=4 990 B13R1.386 COc1ccc(cc1O[13CH3])CCN 34a_100011207234_200025704644 [0,1,0,0,0,0|1,0,1]=3 991 B13R1.386 COc1ccc(cc1SC)CC#N 62a_100011215974_200000210301 [0,1,0,0,0,0|1,1,1]=4 992 B13R1.386 COc1ccc(cc1SC)CC#N 62a_200000210301_100011215974 [0,1,0,0,0,0|1,1,1]=4 993 B13R1.386 COc1ccc(cc1SC)CCN 62a_103549771065_200000210301 [0,1,0,0,0,0|1,1,1]=4 994 B13R1.386 COc1ccc(cc1SC)CCN 62a_200000210301_103549771065 [0,1,0,0,0,0|1,1,1]=4 995 B13R1.386 COc1ccc(cc1SC)CCO 62a_100011962876_200000210301 [0,1,0,0,0,0|1,1,1]=4 996 B13R1.386 COc1ccc(cc1SC)CCO 62a_200000210301_100011962876 [0,1,0,0,0,0|1,1,1]=4 997 B13R1.386 COc1ccc(cc1S[13CH3])CC#N 62a_100011215974_200025704644 [0,1,0,0,0,0|1,1,1]=4 998 B13R1.386 COc1ccc(cc1S[13CH3])CC#N 62a_200025704644_100011215974 [0,1,0,0,0,0|1,1,1]=4 999 B13R1.386 COc1ccc(cc1S[13CH3])CCN 62a_103549771065_200025704644 [0,1,0,0,0,0|1,1,1]=4 1000 B13R1.386 COc1ccc(cc1S[13CH3])CCN 62a_200025704644_103549771065 [0,1,0,0,0,0|1,1,1]=4 1001 B13R1.386 COc1ccc(cc1S[13CH3])CCO 62a_100011962876_200025704644 [0,1,0,0,0,0|1,1,1]=4 1002 B13R1.386 COc1ccc(cc1S[13CH3])CCO 62a_200025704644_100011962876 [0,1,0,0,0,0|1,1,1]=4 1003 B13R1.387 C=C=Cc1ccc(c(c1)C(=O)C)O 271570a_100015277604_100000212127 [0,1,0,0,0,0|1,0,2]=4 1004 B13R1.387 C=C=Cc1ccc(c(c1)C(C)C)O 271570a_100015277604_100000691460 [0,1,0,0,0,0|1,0,2]=4 1005 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016259895_100000212127 [0,1,0,0,0,0|1,0,2]=4 1006 B13R1.387 CC=Cc1ccc(c(c1)C(C)C)O 271570a_100016259895_100000691460 [0,1,0,0,0,0|1,0,2]=4 1007 B13R1.575 C#CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000038162 [0,1,0,0,0,0|1,0,2]=4 1008 B13R1.575 C#CCNc1ccc(c(c1)OC)Br 34a_100000765947_100000184674 [0,1,0,0,0,0|1,0,2]=4 1009 B13R1.575 C#CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000038162 [0,1,0,0,0,0|1,0,2]=4 1010 B13R1.575 C#CCNc1ccc(c(c1)OC)C 34a_100011279678_100000184674 [0,1,0,0,0,0|1,0,2]=4 1011 B13R1.575 C#CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000038162 [0,1,0,0,0,0|1,0,2]=4 1012 B13R1.575 C#CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000184674 [0,1,0,0,0,0|1,0,2]=4 1013 B13R1.575 C#CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000038162 [0,1,0,0,0,0|1,0,2]=4 1014 B13R1.575 C#CCNc1ccc(c(c1)OC)F 34a_100000701188_100000184674 [0,1,0,0,0,0|1,0,2]=4 1015 B13R1.575 C#CCNc1ccc(c(c1)OC)I 34a_100000746945_100000184674 [0,1,0,0,0,0|1,0,2]=4 1016 B13R1.575 C#CCNc1ccc(c(c1)OC)O 34a_100000726020_100000184674 [0,1,0,0,0,0|0,0,2]=3 1017 B13R1.575 C#CCOc1ccc(c(c1)OC)Br 34a_100011827694_100000184674 [0,1,0,0,0,0|1,0,2]=4 1018 B13R1.575 C#CCOc1ccc(c(c1)OC)Br 7a_100011827694_100000038162 [0,1,0,0,0,0|1,0,2]=4 1019 B13R1.575 C#CCOc1ccc(c(c1)OC)C 34a_100009865632_100000184674 [0,1,0,0,0,0|1,0,2]=4 1020 B13R1.575 C#CCOc1ccc(c(c1)OC)C 7a_100009865632_100000038162 [0,1,0,0,0,0|1,0,2]=4 1021 B13R1.575 C#CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000184674 [0,1,0,0,0,0|1,0,2]=4 1022 B13R1.575 C#CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000038162 [0,1,0,0,0,0|1,0,2]=4 1023 B13R1.575 C#CCOc1ccc(c(c1)OC)F 34a_100012001760_100000184674 [0,1,0,0,0,0|1,0,2]=4 1024 B13R1.575 C#CCOc1ccc(c(c1)OC)F 7a_100012001760_100000038162 [0,1,0,0,0,0|1,0,2]=4 1025 B13R1.575 C#CCOc1ccc(c(c1)OC)N 34a_100015326901_100000184674 [0,1,0,0,0,0|1,0,2]=4 1026 B13R1.575 C#CCOc1ccc(c(c1)OC)N 7a_100015326901_100000038162 [0,1,0,0,0,0|1,0,2]=4 1027 B13R1.575 C#CCSc1ccc(c(c1)CC)O 62a_100000038162_100012338938 [0,1,0,0,0,0|1,0,2]=4 1028 B13R1.575 C#CCSc1ccc(c(c1)OC)Br 62a_100000038162_100012353699 [0,1,0,0,0,0|1,0,2]=4 1029 B13R1.575 C#CCSc1ccc(c(c1)OC)C 62a_100000038162_100011830276 [0,1,0,0,0,0|1,0,2]=4 1030 B13R1.575 C#CCSc1ccc(c(c1)OC)Cl 62a_100000038162_100011356853 [0,1,0,0,0,0|1,0,2]=4 1031 B13R1.575 C#CCSc1ccc(c(c1)OC)F 62a_100000038162_100011934186 [0,1,0,0,0,0|1,0,2]=4 1032 B13R1.575 C#CCSc1ccc(c(c1)OC)N 62a_100000038162_100015196925 [0,1,0,0,0,0|1,0,2]=4 1033 B13R1.575 C#CCSc1ccc(c(c1)OC)O 62a_100000038162_100000694246 [0,1,0,0,0,0|0,0,2]=3 1034 B13R1.575 C#CCSc1ccc(c(n1)OC)O 62a_100000038162_100010893133 [0,1,0,0,0,0|1,0,2]=4 1035 B13R1.575 C#Cc1cc(ccc1C)NCC=C 2230a_200012017271_100000210623 [0,1,0,0,0,0|2,0,1]=4 1036 B13R1.575 C#Cc1cc(ccc1C)NCC=C 34a_200012017271_100015514636 [0,1,0,0,0,0|2,0,1]=4 1037 B13R1.575 C#Cc1cc(ccc1Cl)NCC=C 2230a_103624766972_100000210623 [0,1,0,0,0,0|2,0,1]=4 1038 B13R1.575 C#Cc1cc(ccc1Cl)NCC=C 34a_103624766972_100015514636 [0,1,0,0,0,0|2,0,1]=4 1039 B13R1.575 C#Cc1cc(ccc1F)NCC=C 2230a_200011999510_100000210623 [0,1,0,0,0,0|2,0,1]=4 1040 B13R1.575 C#Cc1cc(ccc1F)NCC=C 34a_200011999510_100015514636 [0,1,0,0,0,0|2,0,1]=4 1041 B13R1.575 C=CCNc1ccc(c(c1)C#N)Br 34a_100011934039_100015514636 [0,1,0,0,0,0|3,0,0]=4 1042 B13R1.575 C=CCNc1ccc(c(c1)C#N)Br 7a_100011934039_100015514636 [0,1,0,0,0,0|3,0,0]=4 1043 B13R1.575 C=CCNc1ccc(c(c1)C#N)C 34a_100011216687_100015514636 [0,1,0,0,0,0|3,0,0]=4 1044 B13R1.575 C=CCNc1ccc(c(c1)C#N)C 7a_100011216687_100015514636 [0,1,0,0,0,0|3,0,0]=4 1045 B13R1.575 C=CCNc1ccc(c(c1)C#N)Cl 34a_100000239497_100015514636 [0,1,0,0,0,0|3,0,0]=4 1046 B13R1.575 C=CCNc1ccc(c(c1)C#N)Cl 7a_100000239497_100015514636 [0,1,0,0,0,0|3,0,0]=4 1047 B13R1.575 C=CCNc1ccc(c(c1)C#N)F 34a_100000748589_100015514636 [0,1,0,0,0,0|3,0,0]=4 1048 B13R1.575 C=CCNc1ccc(c(c1)C#N)F 7a_100000748589_100015514636 [0,1,0,0,0,0|3,0,0]=4 1049 B13R1.575 C=CCNc1ccc(c(c1)C#N)O 34a_100011249283_100015514636 [0,1,0,0,0,0|2,0,0]=3 1050 B13R1.575 C=CCNc1ccc(c(c1)CC)Br 2230a_100010109747_100000210623 [0,1,0,0,0,0|2,0,0]=3 1051 B13R1.575 C=CCNc1ccc(c(c1)CC)Br 34a_100010109747_100015514636 [0,1,0,0,0,0|2,0,0]=3 1052 B13R1.575 C=CCNc1ccc(c(c1)CC)Br 7a_100010109747_100015514636 [0,1,0,0,0,0|2,0,0]=3 1053 B13R1.575 C=CCNc1ccc(c(c1)CO)Br 2230a_100012347228_100000210623 [0,1,0,0,0,0|3,0,0]=4 1054 B13R1.575 C=CCNc1ccc(c(c1)CO)Br 34a_100012347228_100015514636 [0,1,0,0,0,0|3,0,0]=4 1055 B13R1.575 C=CCNc1ccc(c(c1)CO)Cl 2230a_100011273577_100000210623 [0,1,0,0,0,0|3,0,0]=4 1056 B13R1.575 C=CCNc1ccc(c(c1)CO)Cl 34a_100011273577_100015514636 [0,1,0,0,0,0|3,0,0]=4 1057 B13R1.575 C=CCNc1ccc(c(c1)CO)F 34a_100011218011_100015514636 [0,1,0,0,0,0|3,0,0]=4 1058 B13R1.575 C=CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210623 [0,1,0,0,0,0|1,0,0]=2 1059 B13R1.575 C=CCNc1ccc(c(c1)OC)Br 34a_100000765947_100015514636 [0,1,0,0,0,0|1,0,0]=2 1060 B13R1.575 C=CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210623 [0,1,0,0,0,0|1,0,0]=2 1061 B13R1.575 C=CCNc1ccc(c(c1)OC)C 34a_100011279678_100015514636 [0,1,0,0,0,0|1,0,0]=2 1062 B13R1.575 C=CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210623 [0,1,0,0,0,0|1,0,0]=2 1063 B13R1.575 C=CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100015514636 [0,1,0,0,0,0|1,0,0]=2 1064 B13R1.575 C=CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210623 [0,1,0,0,0,0|1,0,0]=2 1065 B13R1.575 C=CCNc1ccc(c(c1)OC)F 34a_100000701188_100015514636 [0,1,0,0,0,0|1,0,0]=2 1066 B13R1.575 C=CCNc1ccc(c(c1)OC)I 34a_100000746945_100015514636 [0,1,0,0,0,0|1,0,0]=2 1067 B13R1.575 C=CCNc1ccc(c(c1)OC)O 34a_100000726020_100015514636 [0,1,0,0,0,0|0,0,0]=1 1068 B13R1.575 C=CCNc1ncc(c(n1)OC)C 27a_100020586998_100012500371 [0,1,0,0,0,0|3,0,0]=4 1069 B13R1.575 C=CCNc1ncc(c(n1)OC)N 27a_100020586998_100012122185 [0,1,0,0,0,0|3,0,0]=4 1070 B13R1.575 C=CCOc1ccc(c(c1)C#N)Br 34a_100009818209_100015514636 [0,1,0,0,0,0|3,0,0]=4 1071 B13R1.575 C=CCOc1ccc(c(c1)C#N)Br 7a_100009818209_100015514636 [0,1,0,0,0,0|3,0,0]=4 1072 B13R1.575 C=CCOc1ccc(c(c1)C#N)Cl 34a_100000092820_100015514636 [0,1,0,0,0,0|3,0,0]=4 1073 B13R1.575 C=CCOc1ccc(c(c1)C#N)Cl 7a_100000092820_100015514636 [0,1,0,0,0,0|3,0,0]=4 1074 B13R1.575 C=CCOc1ccc(c(c1)C#N)F 34a_100000070142_100015514636 [0,1,0,0,0,0|3,0,0]=4 1075 B13R1.575 C=CCOc1ccc(c(c1)C#N)F 7a_100000070142_100015514636 [0,1,0,0,0,0|3,0,0]=4 1076 B13R1.575 C=CCOc1ccc(c(c1)C#N)N 34a_200011997737_100015514636 [0,1,0,0,0,0|3,0,0]=4 1077 B13R1.575 C=CCOc1ccc(c(c1)C#N)N 7a_200011997737_100015514636 [0,1,0,0,0,0|3,0,0]=4 1078 B13R1.575 C=CCOc1ccc(c(c1)CC)Cl 34a_100000212063_100015514636 [0,1,0,0,0,0|2,0,0]=3 1079 B13R1.575 C=CCOc1ccc(c(c1)CC)Cl 7a_100000212063_100015514636 [0,1,0,0,0,0|2,0,0]=3 1080 B13R1.575 C=CCOc1ccc(c(c1)CN)C 34a_200009844824_100015514636 [0,1,0,0,0,0|3,0,0]=4 1081 B13R1.575 C=CCOc1ccc(c(c1)CO)Br 34a_100012351483_100015514636 [0,1,0,0,0,0|3,0,0]=4 1082 B13R1.575 C=CCOc1ccc(c(c1)CO)Br 7a_100012351483_100015514636 [0,1,0,0,0,0|3,0,0]=4 1083 B13R1.575 C=CCOc1ccc(c(c1)CO)C 34a_100009878257_100015514636 [0,1,0,0,0,0|3,0,0]=4 1084 B13R1.575 C=CCOc1ccc(c(c1)CO)C 7a_100009878257_100015514636 [0,1,0,0,0,0|3,0,0]=4 1085 B13R1.575 C=CCOc1ccc(c(c1)CO)Cl 34a_100000091669_100015514636 [0,1,0,0,0,0|3,0,0]=4 1086 B13R1.575 C=CCOc1ccc(c(c1)CO)Cl 7a_100000091669_100015514636 [0,1,0,0,0,0|3,0,0]=4 1087 B13R1.575 C=CCOc1ccc(c(c1)OC)Br 34a_100011827694_100015514636 [0,1,0,0,0,0|1,0,0]=2 1088 B13R1.575 C=CCOc1ccc(c(c1)OC)Br 7a_100011827694_100015514636 [0,1,0,0,0,0|1,0,0]=2 1089 B13R1.575 C=CCOc1ccc(c(c1)OC)C 34a_100009865632_100015514636 [0,1,0,0,0,0|1,0,0]=2 1090 B13R1.575 C=CCOc1ccc(c(c1)OC)C 7a_100009865632_100015514636 [0,1,0,0,0,0|1,0,0]=2 1091 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100015514636 [0,1,0,0,0,0|1,0,0]=2 1092 B13R1.575 C=CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100015514636 [0,1,0,0,0,0|1,0,0]=2 1093 B13R1.575 C=CCOc1ccc(c(c1)OC)F 34a_100012001760_100015514636 [0,1,0,0,0,0|1,0,0]=2 1094 B13R1.575 C=CCOc1ccc(c(c1)OC)F 7a_100012001760_100015514636 [0,1,0,0,0,0|1,0,0]=2 1095 B13R1.575 C=CCOc1ccc(c(c1)OC)N 34a_100015326901_100015514636 [0,1,0,0,0,0|1,0,0]=2 1096 B13R1.575 C=CCOc1ccc(c(c1)OC)N 7a_100015326901_100015514636 [0,1,0,0,0,0|1,0,0]=2 1097 B13R1.575 C=CCSc1c[nH]c(=O)c(c1)OC 62a_100000210623_100010125397 [0,1,0,0,0,0|1,0,1]=3 1098 B13R1.575 C=CCSc1cc(c(cn1)C)OC 62a_100000210623_100010067687 [0,1,0,0,0,0|2,0,0]=3 1099 B13R1.575 C=CCSc1cc(c(cn1)C)OC 62a_100010067687_100000210623 [0,1,0,0,0,0|2,0,0]=3 1100 B13R1.575 C=CCSc1cc(c(cn1)F)OC 62a_100000210623_200010136270 [0,1,0,0,0,0|2,0,0]=3 1101 B13R1.575 C=CCSc1cc(c(cn1)F)OC 62a_200010136270_100000210623 [0,1,0,0,0,0|2,0,0]=3 1102 B13R1.575 C=CCSc1cc(c(cn1)N)OC 62a_100000210623_100009887741 [0,1,0,0,0,0|2,0,0]=3 1103 B13R1.575 C=CCSc1cc(c(cn1)N)OC 62a_100009887741_100000210623 [0,1,0,0,0,0|2,0,0]=3 1104 B13R1.575 C=CCSc1cc(c(cn1)O)C=O 62a_100000210623_100000048449 [0,1,0,0,0,0|3,0,0]=4 1105 B13R1.575 C=CCSc1cc(c(nn1)N)OC 62a_100000210623_100000688033 [0,1,0,0,0,0|3,0,0]=4 1106 B13R1.575 C=CCSc1cc(c(nn1)N)OC 62a_100000688033_100000210623 [0,1,0,0,0,0|3,0,0]=4 1107 B13R1.575 C=CCSc1ccc(=O)n(c1)CC 62a_100000210623_100000231005 [0,1,0,0,0,0|2,0,1]=4 1108 B13R1.575 C=CCSc1ccc(=O)n(c1)CC 62a_100000231005_100000210623 [0,1,0,0,0,0|2,0,1]=4 1109 B13R1.575 C=CCSc1ccc(c(c1)C#N)Br 62a_100000210623_100012355174 [0,1,0,0,0,0|3,0,0]=4 1110 B13R1.575 C=CCSc1ccc(c(c1)C#N)Br 62a_100012355174_100000210623 [0,1,0,0,0,0|3,0,0]=4 1111 B13R1.575 C=CCSc1ccc(c(c1)C#N)C 62a_100000210623_100011356939 [0,1,0,0,0,0|3,0,0]=4 1112 B13R1.575 C=CCSc1ccc(c(c1)C#N)Cl 62a_100000210623_100011356831 [0,1,0,0,0,0|3,0,0]=4 1113 B13R1.575 C=CCSc1ccc(c(c1)C#N)F 62a_100000210623_100000037165 [0,1,0,0,0,0|3,0,0]=4 1114 B13R1.575 C=CCSc1ccc(c(c1)C#N)N 62a_100000210623_100000688460 [0,1,0,0,0,0|3,0,0]=4 1115 B13R1.575 C=CCSc1ccc(c(c1)C#N)O 62a_100000210623_100000687585 [0,1,0,0,0,0|2,0,0]=3 1116 B13R1.575 C=CCSc1ccc(c(c1)C=C)F 62a_100000210623_100000688377 [0,1,0,0,0,0|2,0,1]=4 1117 B13R1.575 C=CCSc1ccc(c(c1)C=C)F 62a_100000688377_100000210623 [0,1,0,0,0,0|2,0,1]=4 1118 B13R1.575 C=CCSc1ccc(c(c1)C=O)Br 62a_100000210623_100010185652 [0,1,0,0,0,0|3,0,0]=4 1119 B13R1.575 C=CCSc1ccc(c(c1)C=O)Br 62a_100010185652_100000210623 [0,1,0,0,0,0|3,0,0]=4 1120 B13R1.575 C=CCSc1ccc(c(c1)C=O)C 62a_100000210623_100011361606 [0,1,0,0,0,0|3,0,0]=4 1121 B13R1.575 C=CCSc1ccc(c(c1)C=O)C 62a_100011361606_100000210623 [0,1,0,0,0,0|3,0,0]=4 1122 B13R1.575 C=CCSc1ccc(c(c1)C=O)Cl 62a_100000210623_100010254384 [0,1,0,0,0,0|3,0,0]=4 1123 B13R1.575 C=CCSc1ccc(c(c1)C=O)Cl 62a_100010254384_100000210623 [0,1,0,0,0,0|3,0,0]=4 1124 B13R1.575 C=CCSc1ccc(c(c1)C=O)F 62a_100000050626_100000210623 [0,1,0,0,0,0|3,0,0]=4 1125 B13R1.575 C=CCSc1ccc(c(c1)C=O)F 62a_100000210623_100000050626 [0,1,0,0,0,0|3,0,0]=4 1126 B13R1.575 C=CCSc1ccc(c(c1)C=O)N 62a_100011935258_100000210623 [0,1,0,0,0,0|3,0,0]=4 1127 B13R1.575 C=CCSc1ccc(c(c1)C=O)O 62a_100000210623_100000186750 [0,1,0,0,0,0|2,0,0]=3 1128 B13R1.575 C=CCSc1ccc(c(c1)CC)Br 62a_100000210623_100010244631 [0,1,0,0,0,0|2,0,0]=3 1129 B13R1.575 C=CCSc1ccc(c(c1)CC)Br 62a_100010244631_100000210623 [0,1,0,0,0,0|2,0,0]=3 1130 B13R1.575 C=CCSc1ccc(c(c1)CC)F 62a_100000210623_100010244625 [0,1,0,0,0,0|2,0,0]=3 1131 B13R1.575 C=CCSc1ccc(c(c1)CC)F 62a_100010244625_100000210623 [0,1,0,0,0,0|2,0,0]=3 1132 B13R1.575 C=CCSc1ccc(c(c1)CC)N 62a_100000210623_100000686106 [0,1,0,0,0,0|2,0,0]=3 1133 B13R1.575 C=CCSc1ccc(c(c1)CC)N 62a_100000686106_100000210623 [0,1,0,0,0,0|2,0,0]=3 1134 B13R1.575 C=CCSc1ccc(c(c1)CC)O 62a_100000210623_100012338938 [0,1,0,0,0,0|1,0,0]=2 1135 B13R1.575 C=CCSc1ccc(c(c1)CN)F 62a_100000210623_100009815772 [0,1,0,0,0,0|3,0,0]=4 1136 B13R1.575 C=CCSc1ccc(c(c1)CN)F 62a_100009815772_100000210623 [0,1,0,0,0,0|3,0,0]=4 1137 B13R1.575 C=CCSc1ccc(c(c1)CN)N 62a_100000210623_100012349119 [0,1,0,0,0,0|3,0,0]=4 1138 B13R1.575 C=CCSc1ccc(c(c1)CN)N 62a_100012349119_100000210623 [0,1,0,0,0,0|3,0,0]=4 1139 B13R1.575 C=CCSc1ccc(c(c1)CN)O 62a_100000210623_100000730032 [0,1,0,0,0,0|2,0,0]=3 1140 B13R1.575 C=CCSc1ccc(c(c1)CN)O 62a_100000730032_100000210623 [0,1,0,0,0,0|2,0,0]=3 1141 B13R1.575 C=CCSc1ccc(c(c1)CO)Br 62a_100000210623_100012359683 [0,1,0,0,0,0|3,0,0]=4 1142 B13R1.575 C=CCSc1ccc(c(c1)CO)Br 62a_100012359683_100000210623 [0,1,0,0,0,0|3,0,0]=4 1143 B13R1.575 C=CCSc1ccc(c(c1)CO)C 62a_100000210623_100000700630 [0,1,0,0,0,0|3,0,0]=4 1144 B13R1.575 C=CCSc1ccc(c(c1)CO)C 62a_100000700630_100000210623 [0,1,0,0,0,0|3,0,0]=4 1145 B13R1.575 C=CCSc1ccc(c(c1)CO)Cl 62a_100000210623_100010128486 [0,1,0,0,0,0|3,0,0]=4 1146 B13R1.575 C=CCSc1ccc(c(c1)CO)Cl 62a_100010128486_100000210623 [0,1,0,0,0,0|3,0,0]=4 1147 B13R1.575 C=CCSc1ccc(c(c1)CO)F 62a_100000210623_100000246282 [0,1,0,0,0,0|3,0,0]=4 1148 B13R1.575 C=CCSc1ccc(c(c1)CO)F 62a_100000246282_100000210623 [0,1,0,0,0,0|3,0,0]=4 1149 B13R1.575 C=CCSc1ccc(c(c1)CO)N 62a_100000210623_100012353972 [0,1,0,0,0,0|3,0,0]=4 1150 B13R1.575 C=CCSc1ccc(c(c1)CO)N 62a_100012353972_100000210623 [0,1,0,0,0,0|3,0,0]=4 1151 B13R1.575 C=CCSc1ccc(c(c1)CO)O 62a_100000184703_100000210623 [0,1,0,0,0,0|2,0,0]=3 1152 B13R1.575 C=CCSc1ccc(c(c1)CO)O 62a_100000210623_100000184703 [0,1,0,0,0,0|2,0,0]=3 1153 B13R1.575 C=CCSc1ccc(c(c1)NC)C 62a_100000210623_100020629602 [0,1,0,0,0,0|2,0,0]=3 1154 B13R1.575 C=CCSc1ccc(c(c1)NC)C 62a_100020629602_100000210623 [0,1,0,0,0,0|2,0,0]=3 1155 B13R1.575 C=CCSc1ccc(c(c1)NC)F 62a_100000210623_100011314990 [0,1,0,0,0,0|2,0,0]=3 1156 B13R1.575 C=CCSc1ccc(c(c1)NC)F 62a_100011314990_100000210623 [0,1,0,0,0,0|2,0,0]=3 1157 B13R1.575 C=CCSc1ccc(c(c1)NC)N 62a_100000694363_100000210623 [0,1,0,0,0,0|2,0,0]=3 1158 B13R1.575 C=CCSc1ccc(c(c1)NN)F 62a_100000210623_100020610843 [0,1,0,0,0,0|3,0,0]=4 1159 B13R1.575 C=CCSc1ccc(c(c1)NN)F 62a_100020610843_100000210623 [0,1,0,0,0,0|3,0,0]=4 1160 B13R1.575 C=CCSc1ccc(c(c1)OC)Br 62a_100000210623_100012353699 [0,1,0,0,0,0|1,0,0]=2 1161 B13R1.575 C=CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210623 [0,1,0,0,0,0|1,0,0]=2 1162 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100000210623_100011830276 [0,1,0,0,0,0|1,0,0]=2 1163 B13R1.575 C=CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210623 [0,1,0,0,0,0|1,0,0]=2 1164 B13R1.575 C=CCSc1ccc(c(c1)OC)Cl 62a_100000210623_100011356853 [0,1,0,0,0,0|1,0,0]=2 1165 B13R1.575 C=CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210623 [0,1,0,0,0,0|1,0,0]=2 1166 B13R1.575 C=CCSc1ccc(c(c1)OC)F 62a_100000210623_100011934186 [0,1,0,0,0,0|1,0,0]=2 1167 B13R1.575 C=CCSc1ccc(c(c1)OC)F 62a_100011934186_100000210623 [0,1,0,0,0,0|1,0,0]=2 1168 B13R1.575 C=CCSc1ccc(c(c1)OC)N 62a_100000210623_100015196925 [0,1,0,0,0,0|1,0,0]=2 1169 B13R1.575 C=CCSc1ccc(c(c1)OC)N 62a_100011279103_100000210623 [0,1,0,0,0,0|1,0,0]=2 1170 B13R1.575 C=CCSc1ccc(c(c1)OC)O 62a_100000210623_100000694246 [0,1,0,0,0,0|0,0,0]=1 1171 B13R1.575 C=CCSc1ccc(c(c1)SC)F 62a_100000210623_100010341305 [0,1,0,0,0,0|1,1,0]=3 1172 B13R1.575 C=CCSc1ccc(c(c1)SC)F 62a_100010341305_100000210623 [0,1,0,0,0,0|1,1,0]=3 1173 B13R1.575 C=CCSc1ccc(c(n1)CC)N 62a_100000210623_100009871203 [0,1,0,0,0,0|3,0,0]=4 1174 B13R1.575 C=CCSc1ccc(c(n1)CC)N 62a_100009871203_100000210623 [0,1,0,0,0,0|3,0,0]=4 1175 B13R1.575 C=CCSc1ccc(c(n1)OC)N 62a_100000210623_100000687816 [0,1,0,0,0,0|2,0,0]=3 1176 B13R1.575 C=CCSc1ccc(c(n1)OC)N 62a_100000687816_100000210623 [0,1,0,0,0,0|2,0,0]=3 1177 B13R1.575 C=CCSc1ccc(c(n1)OC)O 62a_100000210623_100010893133 [0,1,0,0,0,0|1,0,0]=2 1178 B13R1.575 C=CCSc1cnc(c(c1)C#N)O 62a_100000210623_100000697733 [0,1,0,0,0,0|3,0,0]=4 1179 B13R1.575 C=CCSc1cnc(c(c1)C=O)O 62a_100000210623_100010064889 [0,1,0,0,0,0|3,0,0]=4 1180 B13R1.575 C=CCSc1cnc(c(c1)C=O)O 62a_100010064889_100000210623 [0,1,0,0,0,0|3,0,0]=4 1181 B13R1.575 C=CCSc1cnc(c(c1)CO)O 62a_100000210623_100010065268 [0,1,0,0,0,0|3,0,0]=4 1182 B13R1.575 C=CCSc1cnc(c(c1)CO)O 62a_100010065268_100000210623 [0,1,0,0,0,0|3,0,0]=4 1183 B13R1.575 C=CCSc1cnc(c(c1)NC)N 62a_100000210623_100010506235 [0,1,0,0,0,0|3,0,0]=4 1184 B13R1.575 C=CCSc1cnc(c(c1)NC)N 62a_100010506235_100000210623 [0,1,0,0,0,0|3,0,0]=4 1185 B13R1.575 C=CCSc1cnc(c(c1)OC)C 62a_100000210623_100010254219 [0,1,0,0,0,0|2,0,0]=3 1186 B13R1.575 C=CCSc1cnc(c(c1)OC)C 62a_100010254219_100000210623 [0,1,0,0,0,0|2,0,0]=3 1187 B13R1.575 C=CCSc1cnc(c(c1)OC)F 62a_100000210623_100010214931 [0,1,0,0,0,0|2,0,0]=3 1188 B13R1.575 C=CCSc1cnc(c(c1)OC)F 62a_100010214931_100000210623 [0,1,0,0,0,0|2,0,0]=3 1189 B13R1.575 C=CCSc1cnc(c(c1)OC)N 62a_100000210623_106354213024 [0,1,0,0,0,0|2,0,0]=3 1190 B13R1.575 C=CCSc1cnc(c(c1)OC)N 62a_106354213024_100000210623 [0,1,0,0,0,0|2,0,0]=3 1191 B13R1.575 C=CCSc1cnc(c(n1)OC)N 62a_100000210623_100009816943 [0,1,0,0,0,0|3,0,0]=4 1192 B13R1.575 C=CCSc1cnc(c(n1)OC)N 62a_100009816943_100000210623 [0,1,0,0,0,0|3,0,0]=4 1193 B13R1.575 C=CCSc1cnc(c(n1)OC)O 62a_100000210623_200010365344 [0,1,0,0,0,0|2,0,0]=3 1194 B13R1.575 C=CCSc1cnc(c(n1)OC)O 62a_200010365344_100000210623 [0,1,0,0,0,0|2,0,0]=3 1195 B13R1.575 C=CCSc1ncc(c(n1)OC)C 62a_100000210623_100012500371 [0,1,0,0,0,0|3,0,0]=4 1196 B13R1.575 C=CCSc1ncc(c(n1)OC)C 62a_100012500371_100000210623 [0,1,0,0,0,0|3,0,0]=4 1197 B13R1.575 C=CCSc1ncc(c(n1)OC)F 62a_100000210623_100012183945 [0,1,0,0,0,0|3,0,0]=4 1198 B13R1.575 C=CCSc1ncc(c(n1)OC)F 62a_100012183945_100000210623 [0,1,0,0,0,0|3,0,0]=4 1199 B13R1.575 C=CCSc1ncc(c(n1)OC)N 62a_100000210623_100012122185 [0,1,0,0,0,0|3,0,0]=4 1200 B13R1.575 C=CCSc1ncc(c(n1)OC)N 62a_100012122185_100000210623 [0,1,0,0,0,0|3,0,0]=4 1201 B13R1.575 CC=NNc1ccc(c(c1)OC)F 4a_102515433066_200000210099 [0,1,0,0,0,0|2,0,1]=4 1202 B13R1.575 CCCCc1ccc(c(c1)CC)O 271570a_100020621405_100012338938 [0,1,0,0,0,0|1,0,2]=4 1203 B13R1.575 CCCCc1ccc(c(c1)OC)Br 271570a_100020621405_100012353699 [0,1,0,0,0,0|1,0,2]=4 1204 B13R1.575 CCCCc1ccc(c(c1)OC)C 271570a_100020621405_100011830276 [0,1,0,0,0,0|1,0,2]=4 1205 B13R1.575 CCCCc1ccc(c(c1)OC)Cl 271570a_100020621405_100011356853 [0,1,0,0,0,0|1,0,2]=4 1206 B13R1.575 CCCCc1ccc(c(c1)OC)F 271570a_100020621405_100011934186 [0,1,0,0,0,0|1,0,2]=4 1207 B13R1.575 CCCCc1ccc(c(c1)OC)N 271570a_100020621405_100011279103 [0,1,0,0,0,0|1,0,2]=4 1208 B13R1.575 CCCCc1ccc(c(c1)OC)O 271570a_100020621405_100000694246 [0,1,0,0,0,0|0,0,2]=3 1209 B13R1.575 CCCCc1ccc(c(n1)OC)O 271570a_100020621405_100010893133 [0,1,0,0,0,0|1,0,2]=4 1210 B13R1.575 CCCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210303 [0,1,0,0,0,0|1,0,2]=4 1211 B13R1.575 CCCNc1ccc(c(c1)OC)Br 34a_100000765947_100000210303 [0,1,0,0,0,0|1,0,2]=4 1212 B13R1.575 CCCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210303 [0,1,0,0,0,0|1,0,2]=4 1213 B13R1.575 CCCNc1ccc(c(c1)OC)C 34a_100011279678_100000210303 [0,1,0,0,0,0|1,0,2]=4 1214 B13R1.575 CCCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210303 [0,1,0,0,0,0|1,0,2]=4 1215 B13R1.575 CCCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000210303 [0,1,0,0,0,0|1,0,2]=4 1216 B13R1.575 CCCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210303 [0,1,0,0,0,0|1,0,2]=4 1217 B13R1.575 CCCNc1ccc(c(c1)OC)F 34a_100000701188_100000210303 [0,1,0,0,0,0|1,0,2]=4 1218 B13R1.575 CCCNc1ccc(c(c1)OC)I 34a_100000746945_100000210303 [0,1,0,0,0,0|1,0,2]=4 1219 B13R1.575 CCCNc1ccc(c(c1)OC)O 34a_100000726020_100000210303 [0,1,0,0,0,0|0,0,2]=3 1220 B13R1.575 CCCOc1ccc(c(c1)OC)Br 34a_100011827694_100000210303 [0,1,0,0,0,0|1,0,2]=4 1221 B13R1.575 CCCOc1ccc(c(c1)OC)Br 7a_100011827694_100000210303 [0,1,0,0,0,0|1,0,2]=4 1222 B13R1.575 CCCOc1ccc(c(c1)OC)C 34a_100009865632_100000210303 [0,1,0,0,0,0|1,0,2]=4 1223 B13R1.575 CCCOc1ccc(c(c1)OC)C 7a_100009865632_100000210303 [0,1,0,0,0,0|1,0,2]=4 1224 B13R1.575 CCCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000210303 [0,1,0,0,0,0|1,0,2]=4 1225 B13R1.575 CCCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000210303 [0,1,0,0,0,0|1,0,2]=4 1226 B13R1.575 CCCOc1ccc(c(c1)OC)F 34a_100012001760_100000210303 [0,1,0,0,0,0|1,0,2]=4 1227 B13R1.575 CCCOc1ccc(c(c1)OC)F 7a_100012001760_100000210303 [0,1,0,0,0,0|1,0,2]=4 1228 B13R1.575 CCCOc1ccc(c(c1)OC)N 34a_100015326901_100000210303 [0,1,0,0,0,0|1,0,2]=4 1229 B13R1.575 CCCOc1ccc(c(c1)OC)N 7a_100015326901_100000210303 [0,1,0,0,0,0|1,0,2]=4 1230 B13R1.575 CCCSc1ccc(c(c1)CC)O 62a_100000210303_100012338938 [0,1,0,0,0,0|1,0,2]=4 1231 B13R1.575 CCCSc1ccc(c(c1)OC)Br 62a_100000210303_100012353699 [0,1,0,0,0,0|1,0,2]=4 1232 B13R1.575 CCCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210303 [0,1,0,0,0,0|1,0,2]=4 1233 B13R1.575 CCCSc1ccc(c(c1)OC)C 62a_100000210303_100011830276 [0,1,0,0,0,0|1,0,2]=4 1234 B13R1.575 CCCSc1ccc(c(c1)OC)C 62a_100011830276_100000210303 [0,1,0,0,0,0|1,0,2]=4 1235 B13R1.575 CCCSc1ccc(c(c1)OC)Cl 62a_100000210303_100011356853 [0,1,0,0,0,0|1,0,2]=4 1236 B13R1.575 CCCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210303 [0,1,0,0,0,0|1,0,2]=4 1237 B13R1.575 CCCSc1ccc(c(c1)OC)F 62a_100000210303_100011934186 [0,1,0,0,0,0|1,0,2]=4 1238 B13R1.575 CCCSc1ccc(c(c1)OC)F 62a_100011934186_100000210303 [0,1,0,0,0,0|1,0,2]=4 1239 B13R1.575 CCCSc1ccc(c(c1)OC)N 62a_100000210303_100015196925 [0,1,0,0,0,0|1,0,2]=4 1240 B13R1.575 CCCSc1ccc(c(c1)OC)N 62a_100011279103_100000210303 [0,1,0,0,0,0|1,0,2]=4 1241 B13R1.575 CCCSc1ccc(c(c1)OC)O 62a_100000210303_100000694246 [0,1,0,0,0,0|0,0,2]=3 1242 B13R1.575 CCCSc1ccc(c(n1)OC)O 62a_100000210303_100010893133 [0,1,0,0,0,0|1,0,2]=4 1243 B13R1.575 CCNCc1ccc(c(c1)OC)Br 207a_100015525214_100010244714 [0,1,0,0,0,0|1,0,2]=4 1244 B13R1.575 CCNCc1ccc(c(c1)OC)Br 2230a_100015525214_100010110085 [0,1,0,0,0,0|1,0,2]=4 1245 B13R1.575 CCNCc1ccc(c(c1)OC)Br 270004a_100015525214_100010244714 [0,1,0,0,0,0|1,0,2]=4 1246 B13R1.575 CCNCc1ccc(c(c1)OC)C 207a_100015525214_100000719150 [0,1,0,0,0,0|1,0,2]=4 1247 B13R1.575 CCNCc1ccc(c(c1)OC)C 270004a_100015525214_100000719150 [0,1,0,0,0,0|1,0,2]=4 1248 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 207a_100015525214_100011998524 [0,1,0,0,0,0|1,0,2]=4 1249 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 2230a_100015204853_100000210202 [0,1,0,0,0,0|1,0,2]=4 1250 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 2230a_100015525214_200010214485 [0,1,0,0,0,0|1,0,2]=4 1251 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 270004a_100015525214_100011998524 [0,1,0,0,0,0|1,0,2]=4 1252 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 34a_100015204853_100000210202 [0,1,0,0,0,0|1,0,2]=4 1253 B13R1.575 CCNCc1ccc(c(c1)OC)F 207a_100015525214_100000692873 [0,1,0,0,0,0|1,0,2]=4 1254 B13R1.575 CCNCc1ccc(c(c1)OC)F 2230a_100015525214_100012349856 [0,1,0,0,0,0|1,0,2]=4 1255 B13R1.575 CCNCc1ccc(c(c1)OC)F 2230a_100020626639_100000210202 [0,1,0,0,0,0|1,0,2]=4 1256 B13R1.575 CCNCc1ccc(c(c1)OC)F 270004a_100015525214_100000692873 [0,1,0,0,0,0|1,0,2]=4 1257 B13R1.575 CCNCc1ccc(c(c1)OC)F 34a_100020626639_100000210202 [0,1,0,0,0,0|1,0,2]=4 1258 B13R1.575 CCNCc1ccc(c(c1)OC)O 34a_100000185554_100000210202 [0,1,0,0,0,0|0,0,2]=3 1259 B13R1.575 CCOCc1ccc(c(c1)OC)Br 34a_100010234685_100000210202 [0,1,0,0,0,0|1,0,2]=4 1260 B13R1.575 CCOCc1ccc(c(c1)OC)Br 34a_100121572206_100010110085 [0,1,0,0,0,0|1,0,2]=4 1261 B13R1.575 CCOCc1ccc(c(c1)OC)Br 7a_100010234685_100000210202 [0,1,0,0,0,0|1,0,2]=4 1262 B13R1.575 CCOCc1ccc(c(c1)OC)C 34a_100000752651_100000210202 [0,1,0,0,0,0|1,0,2]=4 1263 B13R1.575 CCOCc1ccc(c(c1)OC)C 7a_100000752651_100000210202 [0,1,0,0,0,0|1,0,2]=4 1264 B13R1.575 CCOCc1ccc(c(c1)OC)Cl 34a_100012179228_100000210202 [0,1,0,0,0,0|1,0,2]=4 1265 B13R1.575 CCOCc1ccc(c(c1)OC)Cl 34a_100121572206_200010214485 [0,1,0,0,0,0|1,0,2]=4 1266 B13R1.575 CCOCc1ccc(c(c1)OC)F 34a_100000692429_100000210202 [0,1,0,0,0,0|1,0,2]=4 1267 B13R1.575 CCOCc1ccc(c(c1)OC)F 34a_100121572206_100012349856 [0,1,0,0,0,0|1,0,2]=4 1268 B13R1.575 CCOCc1ccc(c(c1)OC)F 7a_100000692429_100000210202 [0,1,0,0,0,0|1,0,2]=4 1269 B13R1.575 CCOCc1ccc(c(c1)OC)N 34a_100000087641_100000210202 [0,1,0,0,0,0|1,0,2]=4 1270 B13R1.575 CCSCc1ccc(c(c1)OC)Br 62a_100000210202_100010110085 [0,1,0,0,0,0|1,0,2]=4 1271 B13R1.575 CCSCc1ccc(c(c1)OC)Br 62a_100010110085_100000210202 [0,1,0,0,0,0|1,0,2]=4 1272 B13R1.575 CCSCc1ccc(c(c1)OC)Cl 62a_100000210202_200010214485 [0,1,0,0,0,0|1,0,2]=4 1273 B13R1.575 CCSCc1ccc(c(c1)OC)Cl 62a_200010214485_100000210202 [0,1,0,0,0,0|1,0,2]=4 1274 B13R1.575 CCSCc1ccc(c(c1)OC)F 62a_100000210202_100012349856 [0,1,0,0,0,0|1,0,2]=4 1275 B13R1.575 CCSCc1ccc(c(c1)OC)F 62a_100012349856_100000210202 [0,1,0,0,0,0|1,0,2]=4 1276 B13R1.575 CCc1cc(ccc1Br)NCC=O 2230a_100010109747_200015260668 [0,1,0,0,0,0|3,0,0]=4 1277 B13R1.575 CCc1cc(ccc1Br)NCC=O 34a_100010109747_200009817547 [0,1,0,0,0,0|3,0,0]=4 1278 B13R1.575 CCc1cc(ccc1Br)NCC=O 7a_100010109747_200015260668 [0,1,0,0,0,0|3,0,0]=4 1279 B13R1.575 CCc1cc(ccc1Br)SCC=O 62a_100010244631_200015260668 [0,1,0,0,0,0|3,0,0]=4 1280 B13R1.575 CCc1cc(ccc1Br)SCC=O 62a_200015260668_100010244631 [0,1,0,0,0,0|3,0,0]=4 1281 B13R1.575 CCc1cc(ccc1Cl)OCC=O 34a_100000212063_200009817547 [0,1,0,0,0,0|3,0,0]=4 1282 B13R1.575 CCc1cc(ccc1Cl)OCC=O 7a_100000212063_200015260668 [0,1,0,0,0,0|3,0,0]=4 1283 B13R1.575 CCc1cc(ccc1F)SCC=O 62a_100010244625_200015260668 [0,1,0,0,0,0|3,0,0]=4 1284 B13R1.575 CCc1cc(ccc1F)SCC=O 62a_200015260668_100010244625 [0,1,0,0,0,0|3,0,0]=4 1285 B13R1.575 CCc1cc(ccc1N)SCC=O 62a_100000686106_200015260668 [0,1,0,0,0,0|3,0,0]=4 1286 B13R1.575 CCc1cc(ccc1N)SCC=O 62a_200015260668_100000686106 [0,1,0,0,0,0|3,0,0]=4 1287 B13R1.575 CCc1cc(ccc1O)SCC#N 62a_100011215382_100012338938 [0,1,0,0,0,0|2,0,1]=4 1288 B13R1.575 CCc1cc(ccc1O)SCC=O 62a_200015260668_100012338938 [0,1,0,0,0,0|2,0,0]=3 1289 B13R1.575 CCc1cc(ccc1O)SCCF 62a_100011217306_100012338938 [0,1,0,0,0,0|2,0,1]=4 1290 B13R1.575 CCc1cc(ccc1O)SCCO 62a_100000211926_100012338938 [0,1,0,0,0,0|2,0,1]=4 1291 B13R1.575 CCc1cc(ccc1O)SCOC 62a_100000766300_100012338938 [0,1,0,0,0,0|2,0,1]=4 1292 B13R1.575 CCc1cc(ccc1O)SCSC 62a_100011218213_100012338938 [0,1,0,0,0,0|2,0,1]=4 1293 B13R1.575 CNCCc1ccc(c(c1)OC)O 2230a_106832991635_100010741665 [0,1,0,0,0,0|0,0,2]=3 1294 B13R1.575 CNCCc1ccc(c(c1)OC)O 34a_100000756042_200000210301 [0,1,0,0,0,0|0,0,2]=3 1295 B13R1.575 CNCCc1ccc(c(c1)OC)O 7a_106832991635_100010741665 [0,1,0,0,0,0|0,0,2]=3 1296 B13R1.575 CNc1cc(ccc1C)SCC=O 62a_100020629602_200015260668 [0,1,0,0,0,0|3,0,0]=4 1297 B13R1.575 CNc1cc(ccc1C)SCC=O 62a_200015260668_100020629602 [0,1,0,0,0,0|3,0,0]=4 1298 B13R1.575 CNc1cc(ccc1F)SCC=O 62a_100011314990_200015260668 [0,1,0,0,0,0|3,0,0]=4 1299 B13R1.575 CNc1cc(ccc1F)SCC=O 62a_200015260668_100011314990 [0,1,0,0,0,0|3,0,0]=4 1300 B13R1.575 CNc1cc(ccc1N)SCC=O 62a_100000694363_200015260668 [0,1,0,0,0,0|3,0,0]=4 1301 B13R1.575 COCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000766300 [0,1,0,0,0,0|2,0,1]=4 1302 B13R1.575 COCNc1ccc(c(c1)OC)C 2230a_100011279678_100000766300 [0,1,0,0,0,0|2,0,1]=4 1303 B13R1.575 COCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000766300 [0,1,0,0,0,0|2,0,1]=4 1304 B13R1.575 COCNc1ccc(c(c1)OC)F 2230a_100000701188_100000766300 [0,1,0,0,0,0|2,0,1]=4 1305 B13R1.575 COCSc1ccc(c(c1)OC)Br 62a_100000766300_100012353699 [0,1,0,0,0,0|2,0,1]=4 1306 B13R1.575 COCSc1ccc(c(c1)OC)Br 62a_100012353699_100000766300 [0,1,0,0,0,0|2,0,1]=4 1307 B13R1.575 COCSc1ccc(c(c1)OC)C 62a_100000766300_100011830276 [0,1,0,0,0,0|2,0,1]=4 1308 B13R1.575 COCSc1ccc(c(c1)OC)C 62a_100011830276_100000766300 [0,1,0,0,0,0|2,0,1]=4 1309 B13R1.575 COCSc1ccc(c(c1)OC)Cl 62a_100000766300_100011356853 [0,1,0,0,0,0|2,0,1]=4 1310 B13R1.575 COCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000766300 [0,1,0,0,0,0|2,0,1]=4 1311 B13R1.575 COCSc1ccc(c(c1)OC)F 62a_100000766300_100011934186 [0,1,0,0,0,0|2,0,1]=4 1312 B13R1.575 COCSc1ccc(c(c1)OC)F 62a_100011934186_100000766300 [0,1,0,0,0,0|2,0,1]=4 1313 B13R1.575 COCSc1ccc(c(c1)OC)N 62a_100000766300_100015196925 [0,1,0,0,0,0|2,0,1]=4 1314 B13R1.575 COCSc1ccc(c(c1)OC)N 62a_100011279103_100000766300 [0,1,0,0,0,0|2,0,1]=4 1315 B13R1.575 COCSc1ccc(c(c1)OC)O 62a_100000766300_100000694246 [0,1,0,0,0,0|1,0,1]=3 1316 B13R1.575 COCSc1ccc(c(n1)OC)O 62a_100000766300_100010893133 [0,1,0,0,0,0|2,0,1]=4 1317 B13R1.575 COc1cc(c[nH]c1=O)SCC=O 62a_200015260668_100010125397 [0,1,0,0,0,0|2,0,1]=4 1318 B13R1.575 COc1cc(ccc1Br)COCF 34a_100010234685_100015361967 [0,1,0,0,0,0|2,0,1]=4 1319 B13R1.575 COc1cc(ccc1Br)COCF 7a_100010234685_100015361967 [0,1,0,0,0,0|2,0,1]=4 1320 B13R1.575 COc1cc(ccc1Br)CSCF 62a_100010110085_100015361967 [0,1,0,0,0,0|2,0,1]=4 1321 B13R1.575 COc1cc(ccc1Br)CSCF 62a_100015361967_100010110085 [0,1,0,0,0,0|2,0,1]=4 1322 B13R1.575 COc1cc(ccc1Br)NCC#N 2230a_100000765947_100011215382 [0,1,0,0,0,0|2,0,1]=4 1323 B13R1.575 COc1cc(ccc1Br)NCC=O 2230a_100000765947_200015260668 [0,1,0,0,0,0|2,0,0]=3 1324 B13R1.575 COc1cc(ccc1Br)NCC=O 34a_100000765947_200009817547 [0,1,0,0,0,0|2,0,0]=3 1325 B13R1.575 COc1cc(ccc1Br)NCCF 2230a_100000765947_100011217306 [0,1,0,0,0,0|2,0,1]=4 1326 B13R1.575 COc1cc(ccc1Br)NCCF 34a_100000765947_100011217306 [0,1,0,0,0,0|2,0,1]=4 1327 B13R1.575 COc1cc(ccc1Br)NCCO 2230a_100000765947_100000211926 [0,1,0,0,0,0|2,0,1]=4 1328 B13R1.575 COc1cc(ccc1Br)NCCO 34a_100000765947_100000211926 [0,1,0,0,0,0|2,0,1]=4 1329 B13R1.575 COc1cc(ccc1Br)NCSC 2230a_100000765947_100011218213 [0,1,0,0,0,0|2,0,1]=4 1330 B13R1.575 COc1cc(ccc1Br)NCSC 34a_100000765947_100011218213 [0,1,0,0,0,0|2,0,1]=4 1331 B13R1.575 COc1cc(ccc1Br)OCC#N 7a_100011827694_100011215382 [0,1,0,0,0,0|2,0,1]=4 1332 B13R1.575 COc1cc(ccc1Br)OCC=O 34a_100011827694_200009817547 [0,1,0,0,0,0|2,0,0]=3 1333 B13R1.575 COc1cc(ccc1Br)OCC=O 7a_100011827694_200015260668 [0,1,0,0,0,0|2,0,0]=3 1334 B13R1.575 COc1cc(ccc1Br)OCCF 34a_100011827694_100011217306 [0,1,0,0,0,0|2,0,1]=4 1335 B13R1.575 COc1cc(ccc1Br)OCCF 7a_100011827694_100011217306 [0,1,0,0,0,0|2,0,1]=4 1336 B13R1.575 COc1cc(ccc1Br)OCCO 34a_100011827694_100000211926 [0,1,0,0,0,0|2,0,1]=4 1337 B13R1.575 COc1cc(ccc1Br)OCCO 7a_100011827694_100000211926 [0,1,0,0,0,0|2,0,1]=4 1338 B13R1.575 COc1cc(ccc1Br)OCSC 34a_100011827694_100011218213 [0,1,0,0,0,0|2,0,1]=4 1339 B13R1.575 COc1cc(ccc1Br)SCC#N 62a_100011215382_100012353699 [0,1,0,0,0,0|2,0,1]=4 1340 B13R1.575 COc1cc(ccc1Br)SCC#N 62a_100012353699_100011215382 [0,1,0,0,0,0|2,0,1]=4 1341 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_100012353699_200015260668 [0,1,0,0,0,0|2,0,0]=3 1342 B13R1.575 COc1cc(ccc1Br)SCC=O 62a_200015260668_100012353699 [0,1,0,0,0,0|2,0,0]=3 1343 B13R1.575 COc1cc(ccc1Br)SCCF 62a_100011217306_100012353699 [0,1,0,0,0,0|2,0,1]=4 1344 B13R1.575 COc1cc(ccc1Br)SCCF 62a_100012353699_100011217306 [0,1,0,0,0,0|2,0,1]=4 1345 B13R1.575 COc1cc(ccc1Br)SCCO 62a_100000211926_100012353699 [0,1,0,0,0,0|2,0,1]=4 1346 B13R1.575 COc1cc(ccc1Br)SCCO 62a_100012353699_100000211926 [0,1,0,0,0,0|2,0,1]=4 1347 B13R1.575 COc1cc(ccc1Br)SCSC 62a_100011218213_100012353699 [0,1,0,0,0,0|2,0,1]=4 1348 B13R1.575 COc1cc(ccc1Br)SCSC 62a_100012353699_100011218213 [0,1,0,0,0,0|2,0,1]=4 1349 B13R1.575 COc1cc(ccc1C)COCF 34a_100000752651_100015361967 [0,1,0,0,0,0|2,0,1]=4 1350 B13R1.575 COc1cc(ccc1C)COCF 7a_100000752651_100015361967 [0,1,0,0,0,0|2,0,1]=4 1351 B13R1.575 COc1cc(ccc1C)NCC#N 2230a_100011279678_100011215382 [0,1,0,0,0,0|2,0,1]=4 1352 B13R1.575 COc1cc(ccc1C)NCC=O 2230a_100011279678_200015260668 [0,1,0,0,0,0|2,0,0]=3 1353 B13R1.575 COc1cc(ccc1C)NCC=O 34a_100011279678_200009817547 [0,1,0,0,0,0|2,0,0]=3 1354 B13R1.575 COc1cc(ccc1C)NCCF 2230a_100011279678_100011217306 [0,1,0,0,0,0|2,0,1]=4 1355 B13R1.575 COc1cc(ccc1C)NCCF 34a_100011279678_100011217306 [0,1,0,0,0,0|2,0,1]=4 1356 B13R1.575 COc1cc(ccc1C)NCCO 2230a_100011279678_100000211926 [0,1,0,0,0,0|2,0,1]=4 1357 B13R1.575 COc1cc(ccc1C)NCCO 34a_100000057592_200000210301 [0,1,0,0,0,0|2,0,1]=4 1358 B13R1.575 COc1cc(ccc1C)NCCO 34a_100011279678_100000211926 [0,1,0,0,0,0|2,0,1]=4 1359 B13R1.575 COc1cc(ccc1C)NCCO 7a_100000057592_200000210301 [0,1,0,0,0,0|2,0,1]=4 1360 B13R1.575 COc1cc(ccc1C)NCSC 2230a_100011279678_100011218213 [0,1,0,0,0,0|2,0,1]=4 1361 B13R1.575 COc1cc(ccc1C)NCSC 34a_100011279678_100011218213 [0,1,0,0,0,0|2,0,1]=4 1362 B13R1.575 COc1cc(ccc1C)OCC#N 7a_100009865632_100011215382 [0,1,0,0,0,0|2,0,1]=4 1363 B13R1.575 COc1cc(ccc1C)OCC=O 34a_100009865632_200009817547 [0,1,0,0,0,0|2,0,0]=3 1364 B13R1.575 COc1cc(ccc1C)OCC=O 7a_100009865632_200015260668 [0,1,0,0,0,0|2,0,0]=3 1365 B13R1.575 COc1cc(ccc1C)OCCF 34a_100009865632_100011217306 [0,1,0,0,0,0|2,0,1]=4 1366 B13R1.575 COc1cc(ccc1C)OCCF 7a_100009865632_100011217306 [0,1,0,0,0,0|2,0,1]=4 1367 B13R1.575 COc1cc(ccc1C)OCCO 34a_100009865632_100000211926 [0,1,0,0,0,0|2,0,1]=4 1368 B13R1.575 COc1cc(ccc1C)OCCO 7a_100009865632_100000211926 [0,1,0,0,0,0|2,0,1]=4 1369 B13R1.575 COc1cc(ccc1C)OCSC 34a_100009865632_100011218213 [0,1,0,0,0,0|2,0,1]=4 1370 B13R1.575 COc1cc(ccc1C)SCC#N 62a_100011215382_100011830276 [0,1,0,0,0,0|2,0,1]=4 1371 B13R1.575 COc1cc(ccc1C)SCC#N 62a_100011830276_100011215382 [0,1,0,0,0,0|2,0,1]=4 1372 B13R1.575 COc1cc(ccc1C)SCC=O 62a_100011830276_200015260668 [0,1,0,0,0,0|2,0,0]=3 1373 B13R1.575 COc1cc(ccc1C)SCC=O 62a_200015260668_100011830276 [0,1,0,0,0,0|2,0,0]=3 1374 B13R1.575 COc1cc(ccc1C)SCCF 62a_100011217306_100011830276 [0,1,0,0,0,0|2,0,1]=4 1375 B13R1.575 COc1cc(ccc1C)SCCF 62a_100011830276_100011217306 [0,1,0,0,0,0|2,0,1]=4 1376 B13R1.575 COc1cc(ccc1C)SCCO 62a_100000211926_100011830276 [0,1,0,0,0,0|2,0,1]=4 1377 B13R1.575 COc1cc(ccc1C)SCCO 62a_100011830276_100000211926 [0,1,0,0,0,0|2,0,1]=4 1378 B13R1.575 COc1cc(ccc1C)SCSC 62a_100011218213_100011830276 [0,1,0,0,0,0|2,0,1]=4 1379 B13R1.575 COc1cc(ccc1C)SCSC 62a_100011830276_100011218213 [0,1,0,0,0,0|2,0,1]=4 1380 B13R1.575 COc1cc(ccc1Cl)CNCF 34a_100015204853_100015361967 [0,1,0,0,0,0|2,0,1]=4 1381 B13R1.575 COc1cc(ccc1Cl)COCF 34a_100012179228_100015361967 [0,1,0,0,0,0|2,0,1]=4 1382 B13R1.575 COc1cc(ccc1Cl)CSCF 62a_100015361967_200010214485 [0,1,0,0,0,0|2,0,1]=4 1383 B13R1.575 COc1cc(ccc1Cl)CSCF 62a_200010214485_100015361967 [0,1,0,0,0,0|2,0,1]=4 1384 B13R1.575 COc1cc(ccc1Cl)NCC#N 2230a_100000742311_100011215382 [0,1,0,0,0,0|2,0,1]=4 1385 B13R1.575 COc1cc(ccc1Cl)NCC=O 2230a_100000742311_200015260668 [0,1,0,0,0,0|2,0,0]=3 1386 B13R1.575 COc1cc(ccc1Cl)NCC=O 34a_100000742311_200009817547 [0,1,0,0,0,0|2,0,0]=3 1387 B13R1.575 COc1cc(ccc1Cl)NCCF 2230a_100000742311_100011217306 [0,1,0,0,0,0|2,0,1]=4 1388 B13R1.575 COc1cc(ccc1Cl)NCCF 34a_100000742311_100011217306 [0,1,0,0,0,0|2,0,1]=4 1389 B13R1.575 COc1cc(ccc1Cl)NCCO 2230a_100000742311_100000211926 [0,1,0,0,0,0|2,0,1]=4 1390 B13R1.575 COc1cc(ccc1Cl)NCCO 34a_100000742311_100000211926 [0,1,0,0,0,0|2,0,1]=4 1391 B13R1.575 COc1cc(ccc1Cl)NCSC 2230a_100000742311_100011218213 [0,1,0,0,0,0|2,0,1]=4 1392 B13R1.575 COc1cc(ccc1Cl)NCSC 34a_100000742311_100011218213 [0,1,0,0,0,0|2,0,1]=4 1393 B13R1.575 COc1cc(ccc1Cl)OCC#N 7a_100012186310_100011215382 [0,1,0,0,0,0|2,0,1]=4 1394 B13R1.575 COc1cc(ccc1Cl)OCC=O 34a_100012186310_200009817547 [0,1,0,0,0,0|2,0,0]=3 1395 B13R1.575 COc1cc(ccc1Cl)OCC=O 7a_100012186310_200015260668 [0,1,0,0,0,0|2,0,0]=3 1396 B13R1.575 COc1cc(ccc1Cl)OCCF 34a_100012186310_100011217306 [0,1,0,0,0,0|2,0,1]=4 1397 B13R1.575 COc1cc(ccc1Cl)OCCF 7a_100012186310_100011217306 [0,1,0,0,0,0|2,0,1]=4 1398 B13R1.575 COc1cc(ccc1Cl)OCCO 34a_100012186310_100000211926 [0,1,0,0,0,0|2,0,1]=4 1399 B13R1.575 COc1cc(ccc1Cl)OCCO 7a_100012186310_100000211926 [0,1,0,0,0,0|2,0,1]=4 1400 B13R1.575 COc1cc(ccc1Cl)OCSC 34a_100012186310_100011218213 [0,1,0,0,0,0|2,0,1]=4 1401 B13R1.575 COc1cc(ccc1Cl)SCC#N 62a_100011215382_100011356853 [0,1,0,0,0,0|2,0,1]=4 1402 B13R1.575 COc1cc(ccc1Cl)SCC#N 62a_100011356853_100011215382 [0,1,0,0,0,0|2,0,1]=4 1403 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_100011356853_200015260668 [0,1,0,0,0,0|2,0,0]=3 1404 B13R1.575 COc1cc(ccc1Cl)SCC=O 62a_200015260668_100011356853 [0,1,0,0,0,0|2,0,0]=3 1405 B13R1.575 COc1cc(ccc1Cl)SCCF 62a_100011217306_100011356853 [0,1,0,0,0,0|2,0,1]=4 1406 B13R1.575 COc1cc(ccc1Cl)SCCF 62a_100011356853_100011217306 [0,1,0,0,0,0|2,0,1]=4 1407 B13R1.575 COc1cc(ccc1Cl)SCCO 62a_100000211926_100011356853 [0,1,0,0,0,0|2,0,1]=4 1408 B13R1.575 COc1cc(ccc1Cl)SCCO 62a_100011356853_100000211926 [0,1,0,0,0,0|2,0,1]=4 1409 B13R1.575 COc1cc(ccc1Cl)SCSC 62a_100011218213_100011356853 [0,1,0,0,0,0|2,0,1]=4 1410 B13R1.575 COc1cc(ccc1Cl)SCSC 62a_100011356853_100011218213 [0,1,0,0,0,0|2,0,1]=4 1411 B13R1.575 COc1cc(ccc1F)CNCF 34a_100020626639_100015361967 [0,1,0,0,0,0|2,0,1]=4 1412 B13R1.575 COc1cc(ccc1F)COCF 34a_100000692429_100015361967 [0,1,0,0,0,0|2,0,1]=4 1413 B13R1.575 COc1cc(ccc1F)COCF 7a_100000692429_100015361967 [0,1,0,0,0,0|2,0,1]=4 1414 B13R1.575 COc1cc(ccc1F)CSCF 62a_100012349856_100015361967 [0,1,0,0,0,0|2,0,1]=4 1415 B13R1.575 COc1cc(ccc1F)CSCF 62a_100015361967_100012349856 [0,1,0,0,0,0|2,0,1]=4 1416 B13R1.575 COc1cc(ccc1F)NCC#N 2230a_100000701188_100011215382 [0,1,0,0,0,0|2,0,1]=4 1417 B13R1.575 COc1cc(ccc1F)NCC=O 2230a_100000701188_200015260668 [0,1,0,0,0,0|2,0,0]=3 1418 B13R1.575 COc1cc(ccc1F)NCC=O 34a_100000701188_200009817547 [0,1,0,0,0,0|2,0,0]=3 1419 B13R1.575 COc1cc(ccc1F)NCCF 2230a_100000701188_100011217306 [0,1,0,0,0,0|2,0,1]=4 1420 B13R1.575 COc1cc(ccc1F)NCCF 34a_100000701188_100011217306 [0,1,0,0,0,0|2,0,1]=4 1421 B13R1.575 COc1cc(ccc1F)NCCO 2230a_100000701188_100000211926 [0,1,0,0,0,0|2,0,1]=4 1422 B13R1.575 COc1cc(ccc1F)NCCO 34a_100000701188_100000211926 [0,1,0,0,0,0|2,0,1]=4 1423 B13R1.575 COc1cc(ccc1F)NCSC 2230a_100000701188_100011218213 [0,1,0,0,0,0|2,0,1]=4 1424 B13R1.575 COc1cc(ccc1F)NCSC 34a_100000701188_100011218213 [0,1,0,0,0,0|2,0,1]=4 1425 B13R1.575 COc1cc(ccc1F)OCC#N 7a_100012001760_100011215382 [0,1,0,0,0,0|2,0,1]=4 1426 B13R1.575 COc1cc(ccc1F)OCC=O 34a_100012001760_200009817547 [0,1,0,0,0,0|2,0,0]=3 1427 B13R1.575 COc1cc(ccc1F)OCC=O 7a_100012001760_200015260668 [0,1,0,0,0,0|2,0,0]=3 1428 B13R1.575 COc1cc(ccc1F)OCCF 34a_100012001760_100011217306 [0,1,0,0,0,0|2,0,1]=4 1429 B13R1.575 COc1cc(ccc1F)OCCF 7a_100012001760_100011217306 [0,1,0,0,0,0|2,0,1]=4 1430 B13R1.575 COc1cc(ccc1F)OCCO 34a_100012001760_100000211926 [0,1,0,0,0,0|2,0,1]=4 1431 B13R1.575 COc1cc(ccc1F)OCCO 7a_100012001760_100000211926 [0,1,0,0,0,0|2,0,1]=4 1432 B13R1.575 COc1cc(ccc1F)OCSC 34a_100012001760_100011218213 [0,1,0,0,0,0|2,0,1]=4 1433 B13R1.575 COc1cc(ccc1F)SCC#N 62a_100011215382_100011934186 [0,1,0,0,0,0|2,0,1]=4 1434 B13R1.575 COc1cc(ccc1F)SCC#N 62a_100011934186_100011215382 [0,1,0,0,0,0|2,0,1]=4 1435 B13R1.575 COc1cc(ccc1F)SCC=O 62a_100011934186_200015260668 [0,1,0,0,0,0|2,0,0]=3 1436 B13R1.575 COc1cc(ccc1F)SCC=O 62a_200015260668_100011934186 [0,1,0,0,0,0|2,0,0]=3 1437 B13R1.575 COc1cc(ccc1F)SCCF 62a_100011217306_100011934186 [0,1,0,0,0,0|2,0,1]=4 1438 B13R1.575 COc1cc(ccc1F)SCCF 62a_100011934186_100011217306 [0,1,0,0,0,0|2,0,1]=4 1439 B13R1.575 COc1cc(ccc1F)SCCO 62a_100000211926_100011934186 [0,1,0,0,0,0|2,0,1]=4 1440 B13R1.575 COc1cc(ccc1F)SCCO 62a_100011934186_100000211926 [0,1,0,0,0,0|2,0,1]=4 1441 B13R1.575 COc1cc(ccc1F)SCSC 62a_100011218213_100011934186 [0,1,0,0,0,0|2,0,1]=4 1442 B13R1.575 COc1cc(ccc1F)SCSC 62a_100011934186_100011218213 [0,1,0,0,0,0|2,0,1]=4 1443 B13R1.575 COc1cc(ccc1I)NCC=O 34a_100000746945_200009817547 [0,1,0,0,0,0|2,0,0]=3 1444 B13R1.575 COc1cc(ccc1I)NCCF 34a_100000746945_100011217306 [0,1,0,0,0,0|2,0,1]=4 1445 B13R1.575 COc1cc(ccc1I)NCCO 34a_100000746945_100000211926 [0,1,0,0,0,0|2,0,1]=4 1446 B13R1.575 COc1cc(ccc1I)NCSC 34a_100000746945_100011218213 [0,1,0,0,0,0|2,0,1]=4 1447 B13R1.575 COc1cc(ccc1N)COCF 34a_100000087641_100015361967 [0,1,0,0,0,0|2,0,1]=4 1448 B13R1.575 COc1cc(ccc1N)OCC#N 7a_100015326901_100011215382 [0,1,0,0,0,0|2,0,1]=4 1449 B13R1.575 COc1cc(ccc1N)OCC=O 34a_100015326901_200009817547 [0,1,0,0,0,0|2,0,0]=3 1450 B13R1.575 COc1cc(ccc1N)OCC=O 7a_100015326901_200015260668 [0,1,0,0,0,0|2,0,0]=3 1451 B13R1.575 COc1cc(ccc1N)OCCF 34a_100015326901_100011217306 [0,1,0,0,0,0|2,0,1]=4 1452 B13R1.575 COc1cc(ccc1N)OCCF 7a_100015326901_100011217306 [0,1,0,0,0,0|2,0,1]=4 1453 B13R1.575 COc1cc(ccc1N)OCCO 34a_100015326901_100000211926 [0,1,0,0,0,0|2,0,1]=4 1454 B13R1.575 COc1cc(ccc1N)OCCO 7a_100015326901_100000211926 [0,1,0,0,0,0|2,0,1]=4 1455 B13R1.575 COc1cc(ccc1N)OCSC 34a_100015326901_100011218213 [0,1,0,0,0,0|2,0,1]=4 1456 B13R1.575 COc1cc(ccc1N)SCC#N 62a_100011215382_100015196925 [0,1,0,0,0,0|2,0,1]=4 1457 B13R1.575 COc1cc(ccc1N)SCC#N 62a_100011279103_100011215382 [0,1,0,0,0,0|2,0,1]=4 1458 B13R1.575 COc1cc(ccc1N)SCC=O 62a_100011279103_200015260668 [0,1,0,0,0,0|2,0,0]=3 1459 B13R1.575 COc1cc(ccc1N)SCC=O 62a_200015260668_100015196925 [0,1,0,0,0,0|2,0,0]=3 1460 B13R1.575 COc1cc(ccc1N)SCCF 62a_100011217306_100015196925 [0,1,0,0,0,0|2,0,1]=4 1461 B13R1.575 COc1cc(ccc1N)SCCF 62a_100011279103_100011217306 [0,1,0,0,0,0|2,0,1]=4 1462 B13R1.575 COc1cc(ccc1N)SCCO 62a_100000211926_100015196925 [0,1,0,0,0,0|2,0,1]=4 1463 B13R1.575 COc1cc(ccc1N)SCCO 62a_100011279103_100000211926 [0,1,0,0,0,0|2,0,1]=4 1464 B13R1.575 COc1cc(ccc1N)SCSC 62a_100011218213_100015196925 [0,1,0,0,0,0|2,0,1]=4 1465 B13R1.575 COc1cc(ccc1N)SCSC 62a_100011279103_100011218213 [0,1,0,0,0,0|2,0,1]=4 1466 B13R1.575 COc1cc(ccc1O)CCN[13CH3] 34a_100000756042_200025704644 [0,1,0,0,0,0|0,0,2]=3 1467 B13R1.575 COc1cc(ccc1O)CCSC 62a_200000210301_100010741665 [0,1,0,0,0,0|0,0,2]=3 1468 B13R1.575 COc1cc(ccc1O)CCS[13CH3] 62a_200025704644_100010741665 [0,1,0,0,0,0|0,0,2]=3 1469 B13R1.575 COc1cc(ccc1O)CNCF 34a_100000185554_100015361967 [0,1,0,0,0,0|1,0,1]=3 1470 B13R1.575 COc1cc(ccc1O)NCC=O 34a_100000726020_200009817547 [0,1,0,0,0,0|1,0,0]=2 1471 B13R1.575 COc1cc(ccc1O)NCCF 34a_100000726020_100011217306 [0,1,0,0,0,0|1,0,1]=3 1472 B13R1.575 COc1cc(ccc1O)NCCO 34a_100000726020_100000211926 [0,1,0,0,0,0|1,0,1]=3 1473 B13R1.575 COc1cc(ccc1O)NCSC 34a_100000726020_100011218213 [0,1,0,0,0,0|1,0,1]=3 1474 B13R1.575 COc1cc(ccc1O)SCC#N 62a_100011215382_100000694246 [0,1,0,0,0,0|1,0,1]=3 1475 B13R1.575 COc1cc(ccc1O)SCC=O 62a_200015260668_100000694246 [0,1,0,0,0,0|1,0,0]=2 1476 B13R1.575 COc1cc(ccc1O)SCCF 62a_100011217306_100000694246 [0,1,0,0,0,0|1,0,1]=3 1477 B13R1.575 COc1cc(ccc1O)SCCO 62a_100000211926_100000694246 [0,1,0,0,0,0|1,0,1]=3 1478 B13R1.575 COc1cc(ccc1O)SCSC 62a_100011218213_100000694246 [0,1,0,0,0,0|1,0,1]=3 1479 B13R1.575 COc1cc(cnc1C)SCC=O 62a_100010254219_200015260668 [0,1,0,0,0,0|3,0,0]=4 1480 B13R1.575 COc1cc(cnc1C)SCC=O 62a_200015260668_100010254219 [0,1,0,0,0,0|3,0,0]=4 1481 B13R1.575 COc1cc(cnc1F)SCC=O 62a_100010214931_200015260668 [0,1,0,0,0,0|3,0,0]=4 1482 B13R1.575 COc1cc(cnc1F)SCC=O 62a_200015260668_100010214931 [0,1,0,0,0,0|3,0,0]=4 1483 B13R1.575 COc1cc(cnc1N)SCC=O 62a_106354213024_200015260668 [0,1,0,0,0,0|3,0,0]=4 1484 B13R1.575 COc1cc(cnc1N)SCC=O 62a_200015260668_106354213024 [0,1,0,0,0,0|3,0,0]=4 1485 B13R1.575 COc1cc(ncc1C)SCC=O 62a_100010067687_200015260668 [0,1,0,0,0,0|3,0,0]=4 1486 B13R1.575 COc1cc(ncc1C)SCC=O 62a_200015260668_100010067687 [0,1,0,0,0,0|3,0,0]=4 1487 B13R1.575 COc1cc(ncc1F)SCC=O 62a_200010136270_200015260668 [0,1,0,0,0,0|3,0,0]=4 1488 B13R1.575 COc1cc(ncc1F)SCC=O 62a_200015260668_200010136270 [0,1,0,0,0,0|3,0,0]=4 1489 B13R1.575 COc1cc(ncc1N)SCC=O 62a_100009887741_200015260668 [0,1,0,0,0,0|3,0,0]=4 1490 B13R1.575 COc1cc(ncc1N)SCC=O 62a_200015260668_100009887741 [0,1,0,0,0,0|3,0,0]=4 1491 B13R1.575 COc1nc(ccc1N)SCC=O 62a_100000687816_200015260668 [0,1,0,0,0,0|3,0,0]=4 1492 B13R1.575 COc1nc(ccc1N)SCC=O 62a_200015260668_100000687816 [0,1,0,0,0,0|3,0,0]=4 1493 B13R1.575 COc1nc(ccc1O)SCC#N 62a_100011215382_100010893133 [0,1,0,0,0,0|2,0,1]=4 1494 B13R1.575 COc1nc(ccc1O)SCC=O 62a_200015260668_100010893133 [0,1,0,0,0,0|2,0,0]=3 1495 B13R1.575 COc1nc(ccc1O)SCCF 62a_100011217306_100010893133 [0,1,0,0,0,0|2,0,1]=4 1496 B13R1.575 COc1nc(ccc1O)SCCO 62a_100000211926_100010893133 [0,1,0,0,0,0|2,0,1]=4 1497 B13R1.575 COc1nc(ccc1O)SCSC 62a_100011218213_100010893133 [0,1,0,0,0,0|2,0,1]=4 1498 B13R1.575 COc1nc(cnc1O)SCC=O 62a_200010365344_200015260668 [0,1,0,0,0,0|3,0,0]=4 1499 B13R1.575 COc1nc(cnc1O)SCC=O 62a_200015260668_200010365344 [0,1,0,0,0,0|3,0,0]=4 1500 B13R1.575 CSc1cc(ccc1F)SCC=O 62a_100010341305_200015260668 [0,1,0,0,0,0|2,1,0]=4 1501 B13R1.575 CSc1cc(ccc1F)SCC=O 62a_200015260668_100010341305 [0,1,0,0,0,0|2,1,0]=4 1502 B13R1.575 Cc1ccc(cc1O[13CH3])NCCO 34a_100000057592_200025704644 [0,1,0,0,0,0|2,0,1]=4 1503 B13R1.575 Cc1ccc(cc1O[13CH3])NCCO 7a_100000057592_200025704644 [0,1,0,0,0,0|2,0,1]=4 1504 B13R1.575 N#Cc1cc(ccc1O)NCC=O 34a_100011249283_200009817547 [0,1,0,0,0,0|3,0,0]=4 1505 B13R1.575 N#Cc1cc(ccc1O)SCC=O 62a_200015260668_100000687585 [0,1,0,0,0,0|3,0,0]=4 1506 B13R1.575 NCc1cc(ccc1O)SCC=O 62a_100000730032_200015260668 [0,1,0,0,0,0|3,0,0]=4 1507 B13R1.575 NCc1cc(ccc1O)SCC=O 62a_200015260668_100000730032 [0,1,0,0,0,0|3,0,0]=4 1508 B13R1.575 O=CCSc1ccc(c(c1)C=O)O 62a_200015260668_100000186750 [0,1,0,0,0,0|3,0,0]=4 1509 B13R1.575 O=CCSc1ccc(c(c1)CO)O 62a_100000184703_200015260668 [0,1,0,0,0,0|3,0,0]=4 1510 B13R1.575 O=CCSc1ccc(c(c1)CO)O 62a_200015260668_100000184703 [0,1,0,0,0,0|3,0,0]=4 1511 B13R1.1255 C=C=Cc1ccc(c(c1F)OC)Cl 271570a_100015277604_200135222481 [0,1,0,0,0,0|1,0,2]=4 1512 B13R1.1255 C=C=Cc1ccc(c(c1F)OC)N 271570a_100015277604_100010734149 [0,1,0,0,0,0|1,0,2]=4 1513 B13R1.1255 CC=Cc1ccc(c(c1F)OC)Cl 271570a_100016259895_200135222481 [0,1,0,0,0,0|1,0,2]=4 1514 B13R1.1255 CC=Cc1ccc(c(c1F)OC)N 271570a_100016259895_100010734149 [0,1,0,0,0,0|1,0,2]=4 1515 B13R1.1255 CNCc1ccc(c(c1F)OC)Br 207a_100102657272_200010981996 [0,1,0,0,0,0|2,0,1]=4 1516 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 207a_100102657272_100009889114 [0,1,0,0,0,0|2,0,1]=4 1517 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 2230a_106832991635_100010116237 [0,1,0,0,0,0|2,0,1]=4 1518 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 270004a_106832991635_100009889114 [0,1,0,0,0,0|2,0,1]=4 1519 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 34a_100102657272_100010116237 [0,1,0,0,0,0|2,0,1]=4 1520 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 34a_200009889119_200000210301 [0,1,0,0,0,0|2,0,1]=4 1521 B13R1.1255 CNCc1ccc(c(c1F)OC)Cl 7a_106832991635_100010116237 [0,1,0,0,0,0|2,0,1]=4 1522 B13R1.1255 CNCc1ccc(c(c1F)OC)F 207a_100102657272_100000050928 [0,1,0,0,0,0|2,0,1]=4 1523 B13R1.1255 CNCc1ccc(c(c1F)OC)F 2230a_106832991635_100009814548 [0,1,0,0,0,0|2,0,1]=4 1524 B13R1.1255 CNCc1ccc(c(c1F)OC)F 270004a_106832991635_100000050928 [0,1,0,0,0,0|2,0,1]=4 1525 B13R1.1255 CNCc1ccc(c(c1F)OC)F 34a_100102657272_100009814548 [0,1,0,0,0,0|2,0,1]=4 1526 B13R1.1255 CNCc1ccc(c(c1F)OC)F 34a_115082355467_200000210301 [0,1,0,0,0,0|2,0,1]=4 1527 B13R1.1255 CNCc1ccc(c(c1F)OC)F 7a_106832991635_100009814548 [0,1,0,0,0,0|2,0,1]=4 1528 B13R1.1255 COCc1ccc(c(c1F)OC)Cl 34a_100009889115_200000210301 [0,1,0,0,0,0|2,0,1]=4 1529 B13R1.1255 COCc1ccc(c(c1F)OC)Cl 34a_100138415774_100010116237 [0,1,0,0,0,0|2,0,1]=4 1530 B13R1.1255 COCc1ccc(c(c1F)OC)Cl 7a_100009889115_200000210301 [0,1,0,0,0,0|2,0,1]=4 1531 B13R1.1255 COCc1ccc(c(c1F)OC)F 34a_100000081355_200000210301 [0,1,0,0,0,0|2,0,1]=4 1532 B13R1.1255 COCc1ccc(c(c1F)OC)F 34a_100138415774_100009814548 [0,1,0,0,0,0|2,0,1]=4 1533 B13R1.1255 COCc1ccc(c(c1F)OC)F 7a_100000081355_200000210301 [0,1,0,0,0,0|2,0,1]=4 1534 B13R1.1255 COc1c(ccc(c1F)CN[13CH3])Cl 34a_200009889119_200025704644 [0,1,0,0,0,0|2,0,1]=4 1535 B13R1.1255 COc1c(ccc(c1F)CN[13CH3])F 34a_115082355467_200025704644 [0,1,0,0,0,0|2,0,1]=4 1536 B13R1.1255 COc1c(ccc(c1F)CO[13CH3])Cl 34a_100009889115_200025704644 [0,1,0,0,0,0|2,0,1]=4 1537 B13R1.1255 COc1c(ccc(c1F)CO[13CH3])Cl 7a_100009889115_200025704644 [0,1,0,0,0,0|2,0,1]=4 1538 B13R1.1255 COc1c(ccc(c1F)CO[13CH3])F 34a_100000081355_200025704644 [0,1,0,0,0,0|2,0,1]=4 1539 B13R1.1255 COc1c(ccc(c1F)CO[13CH3])F 7a_100000081355_200025704644 [0,1,0,0,0,0|2,0,1]=4 1540 B13R1.1255 COc1c(ccc(c1F)CSC)Cl 62a_100010116237_200000210301 [0,1,0,0,0,0|2,0,1]=4 1541 B13R1.1255 COc1c(ccc(c1F)CSC)Cl 62a_200000210301_100010116237 [0,1,0,0,0,0|2,0,1]=4 1542 B13R1.1255 COc1c(ccc(c1F)CSC)F 62a_100009814548_200000210301 [0,1,0,0,0,0|2,0,1]=4 1543 B13R1.1255 COc1c(ccc(c1F)CSC)F 62a_200000210301_100009814548 [0,1,0,0,0,0|2,0,1]=4 1544 B13R1.1255 COc1c(ccc(c1F)CS[13CH3])Cl 62a_100010116237_200025704644 [0,1,0,0,0,0|2,0,1]=4 1545 B13R1.1255 COc1c(ccc(c1F)CS[13CH3])Cl 62a_200025704644_100010116237 [0,1,0,0,0,0|2,0,1]=4 1546 B13R1.1255 COc1c(ccc(c1F)CS[13CH3])F 62a_100009814548_200025704644 [0,1,0,0,0,0|2,0,1]=4 1547 B13R1.1255 COc1c(ccc(c1F)CS[13CH3])F 62a_200025704644_100009814548 [0,1,0,0,0,0|2,0,1]=4 1548 B13R1.2900 C=C=Cc1cc(c(cc1Br)Br)OC 271570a_100015277604_200014006352 [0,1,0,0,0,0|1,0,2]=4 1549 B13R1.2900 C=C=Cc1cc(c(cc1C)F)OC 271570a_100015277604_100011009880 [0,1,0,0,0,0|1,0,2]=4 1550 B13R1.2900 C=C=Cc1cc(c(cc1C)N)OC 271570a_100015277604_100010141321 [0,1,0,0,0,0|1,0,2]=4 1551 B13R1.2900 C=C=Cc1cc(c(cc1F)Cl)OC 271570a_100015277604_100010739614 [0,1,0,0,0,0|1,0,2]=4 1552 B13R1.2900 C=C=Cc1cc(c(cc1F)F)OC 271570a_100015277604_200015541288 [0,1,0,0,0,0|1,0,2]=4 1553 B13R1.2900 C=C=Cc1cc(c(cc1F)N)OC 271570a_100015277604_100012766639 [0,1,0,0,0,0|1,0,2]=4 1554 B13R1.2900 C=C=Cc1cc(c(cc1F)O)OC 271570a_100015277604_100010189133 [0,1,0,0,0,0|0,0,2]=3 1555 B13R1.2900 C=C=Cc1cc(c(cc1N)C)OC 271570a_100015277604_200010584344 [0,1,0,0,0,0|1,0,2]=4 1556 B13R1.2900 C=C=Cc1cc(c(cc1N)F)OC 271570a_100015277604_100010365326 [0,1,0,0,0,0|1,0,2]=4 1557 B13R1.2900 CC=Cc1cc(c(cc1Br)Br)OC 271570a_100016259895_200014006352 [0,1,0,0,0,0|1,0,2]=4 1558 B13R1.2900 CC=Cc1cc(c(cc1C)F)OC 271570a_100016259895_100011009880 [0,1,0,0,0,0|1,0,2]=4 1559 B13R1.2900 CC=Cc1cc(c(cc1C)N)OC 271570a_100016259895_100010141321 [0,1,0,0,0,0|1,0,2]=4 1560 B13R1.2900 CC=Cc1cc(c(cc1F)Cl)OC 271570a_100016259895_100010739614 [0,1,0,0,0,0|1,0,2]=4 1561 B13R1.2900 CC=Cc1cc(c(cc1F)F)OC 271570a_100016259895_200015541288 [0,1,0,0,0,0|1,0,2]=4 1562 B13R1.2900 CC=Cc1cc(c(cc1F)N)OC 271570a_100016259895_100012766639 [0,1,0,0,0,0|1,0,2]=4 1563 B13R1.2900 CC=Cc1cc(c(cc1F)O)OC 271570a_100016259895_100010189133 [0,1,0,0,0,0|0,0,2]=3 1564 B13R1.2900 CC=Cc1cc(c(cc1N)C)OC 271570a_100016259895_200010584344 [0,1,0,0,0,0|1,0,2]=4 1565 B13R1.2900 CC=Cc1cc(c(cc1N)F)OC 271570a_100016259895_100010365326 [0,1,0,0,0,0|1,0,2]=4 1566 B13R1.2900 CCSc1cc(c(cc1F)O)OC 62a_100000210202_100010189133 [0,1,0,0,0,0|1,0,2]=4 1567 B13R1.2900 CNCc1cc(c(cc1Br)Br)OC 207a_100102657272_100010996155 [0,1,0,0,0,0|2,0,1]=4 1568 B13R1.2900 CNCc1cc(c(cc1Br)Br)OC 270004a_106832991635_100010996155 [0,1,0,0,0,0|2,0,1]=4 1569 B13R1.2900 CNCc1cc(c(cc1Br)F)OC 207a_100102657272_100010366953 [0,1,0,0,0,0|2,0,1]=4 1570 B13R1.2900 CNCc1cc(c(cc1Br)F)OC 270004a_106832991635_100010366953 [0,1,0,0,0,0|2,0,1]=4 1571 B13R1.2900 CNCc1cc(c(cc1F)Br)OC 207a_100102657272_100000695681 [0,1,0,0,0,0|2,0,1]=4 1572 B13R1.2900 CNCc1cc(c(cc1F)Br)OC 270004a_106832991635_100000695681 [0,1,0,0,0,0|2,0,1]=4 1573 B13R1.2900 CNCc1cc(c(cc1F)Cl)OC 207a_100102657272_100000050388 [0,1,0,0,0,0|2,0,1]=4 1574 B13R1.2900 CNCc1cc(c(cc1F)Cl)OC 270004a_106832991635_100000050388 [0,1,0,0,0,0|2,0,1]=4 1575 B13R1.2900 CNCc1cc(c(cc1F)F)OC 207a_100102657272_100010630602 [0,1,0,0,0,0|2,0,1]=4 1576 B13R1.2900 CNCc1cc(c(cc1F)F)OC 270004a_106832991635_100010630602 [0,1,0,0,0,0|2,0,1]=4 1577 B13R1.2900 COc1cc(c(cc1O)F)SCF 62a_100015361967_100010189133 [0,1,0,0,0,0|2,0,1]=4 1578 B13R1.4030 C=C=Cc1cc(c(c(c1)CC)O)C 271570a_100015277604_100010659108 [0,1,0,0,0,0|1,0,2]=4 1579 B13R1.4030 C=C=Cc1cc(c(c(c1)OC)F)C 271570a_100015277604_100010271686 [0,1,0,0,0,0|1,0,2]=4 1580 B13R1.4030 C=C=Cc1cc(c(c(c1)OC)F)F 271570a_100015277604_100011218012 [0,1,0,0,0,0|1,0,2]=4 1581 B13R1.4030 C=C=Cc1cc(c(c(c1)OC)F)O 271570a_100015277604_200015524394 [0,1,0,0,0,0|1,0,2]=4 1582 B13R1.4030 C=C=Cc1cc(c(c(c1)OC)N)C 271570a_100015277604_100000741850 [0,1,0,0,0,0|1,0,2]=4 1583 B13R1.4030 CC=Cc1cc(c(c(c1)CC)O)C 271570a_100016259895_100010659108 [0,1,0,0,0,0|1,0,2]=4 1584 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)C 271570a_100016259895_100010271686 [0,1,0,0,0,0|1,0,2]=4 1585 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)F 271570a_100016259895_100011218012 [0,1,0,0,0,0|1,0,2]=4 1586 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)O 271570a_100016259895_200015524394 [0,1,0,0,0,0|1,0,2]=4 1587 B13R1.4030 CC=Cc1cc(c(c(c1)OC)N)C 271570a_100016259895_100000741850 [0,1,0,0,0,0|1,0,2]=4 1588 B13R1.4030 CCSc1cc(c(c(c1)OC)O)O 62a_100000210202_200159242197 [0,1,0,0,0,0|1,0,2]=4 1589 B13R1.4030 CNCc1cc(c(c(c1)OC)F)F 207a_100102657272_100000050682 [0,1,0,0,0,0|2,0,1]=4 1590 B13R1.4030 CNCc1cc(c(c(c1)OC)F)F 270004a_106832991635_100000050682 [0,1,0,0,0,0|2,0,1]=4 1591 B13R1.4030 COc1cc(cc(c1O)O)SCF 62a_100015361967_200159242197 [0,1,0,0,0,0|2,0,1]=4 1592 B13R2.121 COc1c(ccc2c1CCC2)Br 34a_100010662108_200000210301 [0,0,0,1,0,0|1,0,2]=4 1593 B13R2.121 COc1c(ccc2c1CCC2)Br 7a_100010662108_200000210301 [0,0,0,1,0,0|1,0,2]=4 1594 B13R2.121 COc1c(ccc2c1cn[nH]2)O 271570a_203496583355_100009817061 [0,0,0,1,0,0|2,0,0]=3 1595 B13R2.121 COc1c(cnc2c1cc[nH]2)O 271570a_203496583355_100010174914 [0,0,0,1,0,0|2,0,0]=3 1596 B13R2.121 CSc1c(ccc2c1cc[nH]2)C 62a_200000210301_100010248896 [0,0,0,1,0,0|2,1,0]=4 1597 B13R2.121 CSc1c(ccc2c1cc[nH]2)F 62a_200000210301_100102525403 [0,0,0,1,0,0|2,1,0]=4 1598 B13R2.121 Cc1ccc2[nH]ccc2c1S[13CH3] 62a_200025704644_100010248896 [0,0,0,1,0,0|2,1,0]=4 1599 B13R2.121 [13CH3]Oc1c(ccc2c1CCC2)Br 34a_100010662108_200025704644 [0,0,0,1,0,0|1,0,2]=4 1600 B13R2.121 [13CH3]Oc1c(ccc2c1CCC2)Br 7a_100010662108_200025704644 [0,0,0,1,0,0|1,0,2]=4 1601 B13R2.121 [13CH3]Sc1c(ccc2c1cc[nH]2)F 62a_200025704644_100102525403 [0,0,0,1,0,0|2,1,0]=4 1602 B13R2.449 C=C=Cc1ccc2c(c1)CCO2 271570a_100015277604_100000729065 [0,0,0,1,0,0|1,0,2]=4 1603 B13R2.449 C=C=Cc1ccc2c(c1)OCC2 271570a_100015277604_100009818566 [0,0,0,1,0,0|1,0,2]=4 1604 B13R2.449 C=C=Cc1ccc2c(c1)OCO2 271570a_100015277604_100000688060 [0,0,0,1,0,0|0,0,2]=3 1605 B13R2.449 CC=Cc1ccc2c(c1)CCO2 271570a_100016259895_100000729065 [0,0,0,1,0,0|1,0,2]=4 1606 B13R2.449 CC=Cc1ccc2c(c1)OCC2 271570a_100016259895_100009818566 [0,0,0,1,0,0|1,0,2]=4 1607 B13R2.449 CC=Cc1ccc2c(c1)OCO2 271570a_100016259895_100000688060 [0,0,0,1,0,0|0,0,2]=3 1608 B13R2.449 CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210202 [0,0,0,1,0,0|1,0,2]=4 1609 B13R2.449 CCNc1ccc2c(c1)OCO2 34a_100000209953_100000210202 [0,0,0,1,0,0|1,0,2]=4 1610 B13R2.449 CCOc1ccc2c(c1)OCO2 34a_100000210298_100000210202 [0,0,0,1,0,0|1,0,2]=4 1611 B13R2.449 CNCc1ccc2c(c1)CCO2 207a_100102657272_100011218456 [0,0,0,1,0,0|2,0,1]=4 1612 B13R2.449 CNCc1ccc2c(c1)CCO2 2230a_100011219410_200000210301 [0,0,0,1,0,0|2,0,1]=4 1613 B13R2.449 CNCc1ccc2c(c1)CCO2 270004a_106832991635_100011218456 [0,0,0,1,0,0|2,0,1]=4 1614 B13R2.449 CNCc1ccc2c(c1)CCO2 34a_100011219410_200000210301 [0,0,0,1,0,0|2,0,1]=4 1615 B13R2.449 CNCc1ccc2c(c1)OCO2 2230a_100000210006_200000210301 [0,0,0,1,0,0|1,0,1]=3 1616 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100000210006_200000210301 [0,0,0,1,0,0|1,0,1]=3 1617 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100102657272_100000189651 [0,0,0,1,0,0|1,0,1]=3 1618 B13R2.449 CNCc1ccc2c(c1)OCO2 7a_106832991635_100000189651 [0,0,0,1,0,0|1,0,1]=3 1619 B13R2.449 COCc1ccc2c(c1)CCO2 34a_100011219353_200000210301 [0,0,0,1,0,0|2,0,1]=4 1620 B13R2.449 COCc1ccc2c(c1)CCO2 7a_100011219353_200000210301 [0,0,0,1,0,0|2,0,1]=4 1621 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100000210967_200000210301 [0,0,0,1,0,0|1,0,1]=3 1622 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100138415774_100000189651 [0,0,0,1,0,0|1,0,1]=3 1623 B13R2.449 FCNc1ccc2c(c1)OCO2 34a_100000209953_100015361967 [0,0,0,1,0,0|2,0,1]=4 1624 B13R2.449 FCOc1ccc2c(c1)OCO2 34a_100000210298_100015361967 [0,0,0,1,0,0|2,0,1]=4 1625 B13R2.449 [13CH3]NCc1ccc2c(c1)CCO2 2230a_100011219410_200025704644 [0,0,0,1,0,0|2,0,1]=4 1626 B13R2.449 [13CH3]NCc1ccc2c(c1)CCO2 34a_100011219410_200025704644 [0,0,0,1,0,0|2,0,1]=4 1627 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 2230a_100000210006_200025704644 [0,0,0,1,0,0|1,0,1]=3 1628 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 34a_100000210006_200025704644 [0,0,0,1,0,0|1,0,1]=3 1629 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 34a_100011219353_200025704644 [0,0,0,1,0,0|2,0,1]=4 1630 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 7a_100011219353_200025704644 [0,0,0,1,0,0|2,0,1]=4 1631 B13R2.449 [13CH3]OCc1ccc2c(c1)OCO2 34a_100000210967_200025704644 [0,0,0,1,0,0|1,0,1]=3 1632 B13R2.599 COc1cc2[nH]ccc2cc1O 271570a_203496583355_100010245498 [0,0,0,1,0,0|1,0,0]=2 1633 B13R2.599 COc1cc2[nH]cnc2cc1O 271570a_203496583355_100010062394 [0,0,0,1,0,0|2,0,0]=3 1634 B13R2.599 COc1cc2c(cc1Br)CCC2 34a_200010659162_200000210301 [0,0,0,1,0,0|1,0,2]=4 1635 B13R2.599 COc1cc2c(cc1Br)CCC2 7a_200010659162_200000210301 [0,0,0,1,0,0|1,0,2]=4 1636 B13R2.599 COc1cc2c(cc1F)CCC2 34a_200000146645_200000210301 [0,0,0,1,0,0|1,0,2]=4 1637 B13R2.599 COc1cc2c(cc1F)CCC2 7a_200000146645_200000210301 [0,0,0,1,0,0|1,0,2]=4 1638 B13R2.599 COc1cc2cc[nH]c2cc1O 271570a_203496583355_100010245486 [0,0,0,1,0,0|1,0,1]=3 1639 B13R2.599 COc1cc2cn[nH]c2cc1O 271570a_203496583355_100010074698 [0,0,0,1,0,0|2,0,1]=4 1640 B13R2.599 COc1cc2n[nH]cc2cc1O 271570a_203496583355_100020876381 [0,0,0,1,0,0|2,0,0]=3 1641 B13R2.599 COc1nc2[nH]ccc2cc1O 271570a_203496583355_100010168744 [0,0,0,1,0,0|2,0,0]=3 1642 B13R2.599 CSc1cc2[nH]ccc2cc1Br 62a_100000703010_200000210301 [0,0,0,1,0,0|2,1,0]=4 1643 B13R2.599 CSc1cc2[nH]ccc2cc1Br 62a_200000210301_100000703010 [0,0,0,1,0,0|2,1,0]=4 1644 B13R2.599 CSc1cc2[nH]ccc2cc1C 62a_200000210301_100010199660 [0,0,0,1,0,0|2,1,0]=4 1645 B13R2.599 CSc1cc2[nH]ccc2cc1F 62a_100009817181_200000210301 [0,0,0,1,0,0|2,1,0]=4 1646 B13R2.599 CSc1cc2[nH]ccc2cc1F 62a_200000210301_100009817181 [0,0,0,1,0,0|2,1,0]=4 1647 B13R2.599 CSc1cc2[nH]ncc2cc1O 62a_200000210301_100010080172 [0,0,0,1,0,0|2,1,0]=4 1648 B13R2.599 CSc1cc2c(cc1O)CCC2 62a_200000210301_200010659162 [0,0,0,1,0,0|0,1,2]=4 1649 B13R2.599 CSc1cc2c(cc1O)CCC2 62a_200010659162_200000210301 [0,0,0,1,0,0|0,1,2]=4 1650 B13R2.599 CSc1cc2sccc2cc1C 62a_100010762285_200000210301 [0,0,0,1,0,0|2,1,0]=4 1651 B13R2.599 CSc1cc2sccc2cc1C 62a_200000210301_100010762285 [0,0,0,1,0,0|2,1,0]=4 1652 B13R2.599 Cc1cc2cc[nH]c2cc1S[13CH3] 62a_200025704644_100010199660 [0,0,0,1,0,0|2,1,0]=4 1653 B13R2.599 Cc1cc2ccsc2cc1S[13CH3] 62a_100010762285_200025704644 [0,0,0,1,0,0|2,1,0]=4 1654 B13R2.599 Cc1cc2ccsc2cc1S[13CH3] 62a_200025704644_100010762285 [0,0,0,1,0,0|2,1,0]=4 1655 B13R2.599 [13CH3]Oc1cc2c(cc1Br)CCC2 34a_200010659162_200025704644 [0,0,0,1,0,0|1,0,2]=4 1656 B13R2.599 [13CH3]Oc1cc2c(cc1Br)CCC2 7a_200010659162_200025704644 [0,0,0,1,0,0|1,0,2]=4 1657 B13R2.599 [13CH3]Oc1cc2c(cc1F)CCC2 34a_200000146645_200025704644 [0,0,0,1,0,0|1,0,2]=4 1658 B13R2.599 [13CH3]Oc1cc2c(cc1F)CCC2 7a_200000146645_200025704644 [0,0,0,1,0,0|1,0,2]=4 1659 B13R2.599 [13CH3]Sc1cc2[nH]ccc2cc1Br 62a_100000703010_200025704644 [0,0,0,1,0,0|2,1,0]=4 1660 B13R2.599 [13CH3]Sc1cc2[nH]ccc2cc1Br 62a_200025704644_100000703010 [0,0,0,1,0,0|2,1,0]=4 1661 B13R2.599 [13CH3]Sc1cc2[nH]ccc2cc1F 62a_100009817181_200025704644 [0,0,0,1,0,0|2,1,0]=4 1662 B13R2.599 [13CH3]Sc1cc2[nH]ccc2cc1F 62a_200025704644_100009817181 [0,0,0,1,0,0|2,1,0]=4 1663 B13R2.599 [13CH3]Sc1cc2[nH]ncc2cc1O 62a_200025704644_100010080172 [0,0,0,1,0,0|2,1,0]=4 1664 B13R2.599 [13CH3]Sc1cc2c(cc1O)CCC2 62a_200010659162_200025704644 [0,0,0,1,0,0|0,1,2]=4 1665 B13R2.599 [13CH3]Sc1cc2c(cc1O)CCC2 62a_200025704644_200010659162 [0,0,0,1,0,0|0,1,2]=4 1666 B13R2.2461 CCc1cc(ccc1O)C2CC2 271570a_100011220607_100012338938 [0,0,0,1,0,0|1,0,2]=4 1667 B13R2.2461 COc1cc(ccc1Br)C2CC2 271570a_100011220607_100012353699 [0,0,0,1,0,0|1,0,2]=4 1668 B13R2.2461 COc1cc(ccc1C)C2CC2 271570a_100011220607_100011830276 [0,0,0,1,0,0|1,0,2]=4 1669 B13R2.2461 COc1cc(ccc1Cl)C2CC2 271570a_100011220607_100011356853 [0,0,0,1,0,0|1,0,2]=4 1670 B13R2.2461 COc1cc(ccc1F)C2CC2 271570a_100011220607_100011934186 [0,0,0,1,0,0|1,0,2]=4 1671 B13R2.2461 COc1cc(ccc1F)C2CC2 34a_100118380312_200000210301 [0,0,0,1,0,0|1,0,2]=4 1672 B13R2.2461 COc1cc(ccc1F)C2CC2 7a_100118380312_200000210301 [0,0,0,1,0,0|1,0,2]=4 1673 B13R2.2461 COc1cc(ccc1N)C2CC2 271570a_100011220607_100011279103 [0,0,0,1,0,0|1,0,2]=4 1674 B13R2.2461 COc1cc(ccc1O)C2CC2 271570a_100011220607_100000694246 [0,0,0,1,0,0|0,0,2]=3 1675 B13R2.2461 COc1nc(ccc1O)C2CC2 271570a_100011220607_100010893133 [0,0,0,1,0,0|1,0,2]=4 1676 B13R2.2461 CSc1cc(ccc1O)C2CC2 62a_200000210301_100135415898 [0,0,0,1,0,0|0,1,2]=4 1677 B13R2.2461 [13CH3]Oc1cc(ccc1F)C2CC2 34a_100118380312_200025704644 [0,0,0,1,0,0|1,0,2]=4 1678 B13R2.2461 [13CH3]Oc1cc(ccc1F)C2CC2 7a_100118380312_200025704644 [0,0,0,1,0,0|1,0,2]=4 1679 B13R2.2461 [13CH3]Sc1cc(ccc1O)C2CC2 62a_200025704644_100135415898 [0,0,0,1,0,0|0,1,2]=4 1680 B10R0.108 C=CCC(=O)C=CC(=CC)C 1458a_100000692105_100000210623 [1,0,1,0,0,0|2,0,0]=4 1681 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [2,0,0,0,0,0|0,0,2]=4 1682 B10R1.10 C=C=Cc1cccc(c1)O 271570a_100015277604_100000211634 [2,0,0,0,0,0|0,0,2]=4 1683 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [2,0,0,0,0,0|0,0,0]=2 1684 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [2,0,0,0,0,0|0,0,2]=4 1685 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [2,0,0,0,0,0|0,0,2]=4 1686 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [2,0,0,0,0,0|0,0,2]=4 1687 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [2,0,0,0,0,0|1,0,1]=4 1688 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [2,0,0,0,0,0|1,0,1]=4 1689 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [2,0,0,0,0,0|1,0,1]=4 1690 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [2,0,0,0,0,0|1,0,1]=4 1691 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [2,0,0,0,0,0|1,0,1]=4 1692 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [2,0,0,0,0,0|1,0,1]=4 1693 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [2,0,0,0,0,0|1,0,1]=4 1694 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [2,0,0,0,0,0|1,0,1]=4 1695 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [2,0,0,0,0,0|1,0,1]=4 1696 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [2,0,0,0,0,0|1,0,1]=4 1697 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [2,0,0,0,0,0|1,0,1]=4 1698 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [2,0,0,0,0,0|1,0,1]=4 1699 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [2,0,0,0,0,0|1,0,1]=4 1700 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [2,0,0,0,0,0|1,0,1]=4 1701 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [2,0,0,0,0,0|1,0,1]=4 1702 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [2,0,0,0,0,0|1,0,1]=4 1703 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [2,0,0,0,0,0|1,0,1]=4 1704 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [2,0,0,0,0,0|1,0,1]=4 1705 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [2,0,0,0,0,0|1,0,1]=4 1706 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [2,0,0,0,0,0|1,0,1]=4 1707 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [2,0,0,0,0,0|1,0,1]=4 1708 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [2,0,0,0,0,0|1,0,1]=4 1709 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [2,0,0,0,0,0|1,0,1]=4 1710 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [2,0,0,0,0,0|1,0,1]=4 1711 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [2,0,0,0,0,0|1,0,1]=4 1712 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [2,0,0,0,0,0|1,0,1]=4 1713 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [2,0,0,0,0,0|1,0,1]=4 1714 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [2,0,0,0,0,0|1,0,1]=4 1715 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [2,0,0,0,0,0|1,0,1]=4 1716 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [2,0,0,0,0,0|1,0,1]=4 1717 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [2,0,0,0,0,0|1,0,1]=4 1718 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [2,0,0,0,0,0|1,0,1]=4 1719 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [2,0,0,0,0,0|2,0,0]=4 1720 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [2,0,0,0,0,0|1,0,0]=3 1721 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [2,0,0,0,0,0|1,0,1]=4 1722 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [2,0,0,0,0,0|1,0,1]=4 1723 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [2,0,0,0,0,0|1,0,1]=4 1724 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [2,0,0,0,0,0|1,0,1]=4 1725 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [2,0,0,0,0,0|1,0,1]=4 1726 B10R1.172 C#Cc1cccc(c1)OC 34a_100011216014_200000210301 [2,0,0,0,0,0|0,0,2]=4 1727 B10R1.172 C#Cc1cccc(c1)OC 7a_100011216014_200000210301 [2,0,0,0,0,0|0,0,2]=4 1728 B10R1.172 C#Cc1cccc(c1)O[13CH3] 34a_100011216014_200025704644 [2,0,0,0,0,0|0,0,2]=4 1729 B10R1.172 C#Cc1cccc(c1)O[13CH3] 7a_100011216014_200025704644 [2,0,0,0,0,0|0,0,2]=4 1730 B10R1.172 C=Cc1cc(ccn1)CC 271570a_100011290941_100009817561 [2,0,0,0,0,0|2,0,0]=4 1731 B10R1.172 C=Cc1cc(ccn1)NC 271570a_100011290941_100009869472 [2,0,0,0,0,0|2,0,0]=4 1732 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [2,0,0,0,0,0|1,0,0]=3 1733 B10R1.172 C=Cc1cc(ccn1)SC 271570a_100011290941_100010883326 [2,0,0,0,0,0|1,1,0]=4 1734 B10R1.172 C=Cc1cc(ccn1)SC 62a_100009845566_200000210301 [2,0,0,0,0,0|1,1,0]=4 1735 B10R1.172 C=Cc1cc(ccn1)SC 62a_200000210301_100009845566 [2,0,0,0,0,0|1,1,0]=4 1736 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_100009845566_200025704644 [2,0,0,0,0,0|1,1,0]=4 1737 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_200025704644_100009845566 [2,0,0,0,0,0|1,1,0]=4 1738 B10R1.172 C=Cc1cc(cnn1)OC 271570a_100011290941_100000087634 [2,0,0,0,0,0|2,0,0]=4 1739 B10R1.172 C=Cc1cc(ncn1)OC 271570a_100011290941_100012187182 [2,0,0,0,0,0|2,0,0]=4 1740 B10R1.172 C=Cc1cccc(c1)C#N 271570a_100011290941_100000189340 [2,0,0,0,0,0|2,0,0]=4 1741 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [2,0,0,0,0,0|2,0,0]=4 1742 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [2,0,0,0,0,0|1,0,0]=3 1743 B10R1.172 C=Cc1cccc(c1)CF 271570a_100011290941_100010878472 [2,0,0,0,0,0|2,0,0]=4 1744 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [2,0,0,0,0,0|2,0,0]=4 1745 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [2,0,0,0,0,0|2,0,0]=4 1746 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [2,0,0,0,0,0|1,0,0]=3 1747 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [2,0,0,0,0,0|1,0,0]=3 1748 B10R1.172 C=Cc1cccc(c1)NN 271570a_100011290941_100000217339 [2,0,0,0,0,0|2,0,0]=4 1749 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [2,0,0,0,0,0|1,0,0]=3 1750 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [2,0,0,0,0,0|0,0,0]=2 1751 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [2,0,0,0,0,0|0,0,0]=2 1752 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [2,0,0,0,0,0|0,0,0]=2 1753 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [2,0,0,0,0,0|0,0,0]=2 1754 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [2,0,0,0,0,0|0,0,0]=2 1755 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [2,0,0,0,0,0|0,1,0]=3 1756 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [2,0,0,0,0,0|0,1,0]=3 1757 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [2,0,0,0,0,0|0,1,0]=3 1758 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [2,0,0,0,0,0|0,1,0]=3 1759 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [2,0,0,0,0,0|0,1,0]=3 1760 B10R1.172 C=Cc1cccc(n1)CC 271570a_100011290941_100009856026 [2,0,0,0,0,0|2,0,0]=4 1761 B10R1.172 C=Cc1cccc(n1)NC 271570a_100011290941_100000703281 [2,0,0,0,0,0|2,0,0]=4 1762 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [2,0,0,0,0,0|1,0,0]=3 1763 B10R1.172 C=Cc1cccc(n1)SC 271570a_100011290941_100011960944 [2,0,0,0,0,0|1,1,0]=4 1764 B10R1.172 C=Cc1ccnc(c1)CC 271570a_100011290941_100009820011 [2,0,0,0,0,0|2,0,0]=4 1765 B10R1.172 C=Cc1ccnc(c1)NC 271570a_100011290941_100009819592 [2,0,0,0,0,0|2,0,0]=4 1766 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [2,0,0,0,0,0|1,0,0]=3 1767 B10R1.172 C=Cc1ccnc(n1)OC 271570a_100011290941_100000069072 [2,0,0,0,0,0|2,0,0]=4 1768 B10R1.172 C=Cc1cncc(c1)CC 271570a_100011290941_200009819073 [2,0,0,0,0,0|2,0,0]=4 1769 B10R1.172 C=Cc1cncc(c1)NC 271570a_100011290941_100012184536 [2,0,0,0,0,0|2,0,0]=4 1770 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [2,0,0,0,0,0|1,0,0]=3 1771 B10R1.172 C=Cc1cncc(c1)SC 271570a_100011290941_100009816972 [2,0,0,0,0,0|1,1,0]=4 1772 B10R1.172 C=Cc1cncc(c1)SC 62a_200000210301_200012180632 [2,0,0,0,0,0|1,1,0]=4 1773 B10R1.172 C=Cc1cncc(c1)SC 62a_200012180632_200000210301 [2,0,0,0,0,0|1,1,0]=4 1774 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200012180632_200025704644 [2,0,0,0,0,0|1,1,0]=4 1775 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200025704644_200012180632 [2,0,0,0,0,0|1,1,0]=4 1776 B10R1.172 C=Cc1cncc(n1)OC 271570a_100011290941_100000756030 [2,0,0,0,0,0|2,0,0]=4 1777 B10R1.172 C=Cc1nccc(n1)OC 271570a_100011290941_100000182009 [2,0,0,0,0,0|2,0,0]=4 1778 B10R1.172 CC[n+]1cccc(c1)OC 34a_100000731997_200000210301 [2,0,0,0,0,0|1,0,1]=4 1779 B10R1.172 CC[n+]1cccc(c1)OC 7a_100000731997_200000210301 [2,0,0,0,0,0|1,0,1]=4 1780 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 34a_100000731997_200025704644 [2,0,0,0,0,0|1,0,1]=4 1781 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 7a_100000731997_200025704644 [2,0,0,0,0,0|1,0,1]=4 1782 B10R1.172 CCc1cccc(c1)NC 2230a_100000211250_200000210301 [2,0,0,0,0,0|1,0,1]=4 1783 B10R1.172 CCc1cccc(c1)NC 34a_100000211250_200000210301 [2,0,0,0,0,0|1,0,1]=4 1784 B10R1.172 CCc1cccc(c1)NC 7a_100000211250_200000210301 [2,0,0,0,0,0|1,0,1]=4 1785 B10R1.172 CCc1cccc(c1)N[13CH3] 2230a_100000211250_200025704644 [2,0,0,0,0,0|1,0,1]=4 1786 B10R1.172 CCc1cccc(c1)N[13CH3] 34a_100000211250_200025704644 [2,0,0,0,0,0|1,0,1]=4 1787 B10R1.172 CCc1cccc(c1)N[13CH3] 7a_100000211250_200025704644 [2,0,0,0,0,0|1,0,1]=4 1788 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [2,0,0,0,0,0|0,0,1]=3 1789 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [2,0,0,0,0,0|0,0,1]=3 1790 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [2,0,0,0,0,0|0,0,1]=3 1791 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [2,0,0,0,0,0|0,0,1]=3 1792 B10R1.172 CCc1cccc(c1)SC 62a_100011263222_200000210301 [2,0,0,0,0,0|0,1,1]=4 1793 B10R1.172 CCc1cccc(c1)SC 62a_200000210301_100011263222 [2,0,0,0,0,0|0,1,1]=4 1794 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_100011263222_200025704644 [2,0,0,0,0,0|0,1,1]=4 1795 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_200025704644_100011263222 [2,0,0,0,0,0|0,1,1]=4 1796 B10R1.172 CCc1cncc(c1)OC 34a_200009861530_200000210301 [2,0,0,0,0,0|1,0,1]=4 1797 B10R1.172 CCc1cncc(c1)OC 7a_200009861530_200000210301 [2,0,0,0,0,0|1,0,1]=4 1798 B10R1.172 CCc1cncc(c1)O[13CH3] 34a_200009861530_200025704644 [2,0,0,0,0,0|1,0,1]=4 1799 B10R1.172 CCc1cncc(c1)O[13CH3] 7a_200009861530_200025704644 [2,0,0,0,0,0|1,0,1]=4 1800 B10R1.172 CNc1cccc(c1)CF 2230a_100000126320_200000210301 [2,0,0,0,0,0|2,0,0]=4 1801 B10R1.172 CNc1cccc(c1)CF 34a_100000126320_200000210301 [2,0,0,0,0,0|2,0,0]=4 1802 B10R1.172 CNc1cccc(c1)CF 7a_100000126320_200000210301 [2,0,0,0,0,0|2,0,0]=4 1803 B10R1.172 CNc1cccc(c1)CO 2230a_100000211919_200000210301 [2,0,0,0,0,0|2,0,0]=4 1804 B10R1.172 CNc1cccc(c1)CO 34a_100000211919_200000210301 [2,0,0,0,0,0|2,0,0]=4 1805 B10R1.172 CNc1cccc(c1)OC 34a_100000210024_200000210301 [2,0,0,0,0,0|1,0,1]=4 1806 B10R1.172 CNc1cccc(c1)OC 34a_100000756613_200000210301 [2,0,0,0,0,0|1,0,1]=4 1807 B10R1.172 CNc1cccc(c1)OC 7a_100000756613_200000210301 [2,0,0,0,0,0|1,0,1]=4 1808 B10R1.172 CNc1cccc(c1)O[13CH3] 34a_100000756613_200025704644 [2,0,0,0,0,0|1,0,1]=4 1809 B10R1.172 CNc1cccc(c1)O[13CH3] 7a_100000756613_200025704644 [2,0,0,0,0,0|1,0,1]=4 1810 B10R1.172 COc1cc(ccn1)CN 34a_100000748557_200000210301 [2,0,0,0,0,0|2,0,0]=4 1811 B10R1.172 COc1cccc(c1)C#N 34a_100000184713_200000210301 [2,0,0,0,0,0|1,0,1]=4 1812 B10R1.172 COc1cccc(c1)C#N 7a_100000184713_200000210301 [2,0,0,0,0,0|1,0,1]=4 1813 B10R1.172 COc1cccc(c1)CBr 34a_100011660834_200000210301 [2,0,0,0,0,0|1,0,0]=3 1814 B10R1.172 COc1cccc(c1)CBr 7a_100011660834_200000210301 [2,0,0,0,0,0|1,0,0]=3 1815 B10R1.172 COc1cccc(c1)CCl 34a_100000084143_200000210301 [2,0,0,0,0,0|1,0,0]=3 1816 B10R1.172 COc1cccc(c1)CCl 7a_100000084143_200000210301 [2,0,0,0,0,0|1,0,0]=3 1817 B10R1.172 COc1cccc(c1)CN 34a_100000743036_200000210301 [2,0,0,0,0,0|1,0,0]=3 1818 B10R1.172 COc1cccc(c1)CO 34a_100011214949_200000210301 [2,0,0,0,0,0|1,0,0]=3 1819 B10R1.172 COc1cccc(c1)CO 7a_100011214949_200000210301 [2,0,0,0,0,0|1,0,0]=3 1820 B10R1.172 COc1cccc(c1)N[13CH3] 34a_100000210024_200025704644 [2,0,0,0,0,0|1,0,1]=4 1821 B10R1.172 COc1cccc(c1)OC 34a_100000211255_200000210301 [2,0,0,0,0,0|1,0,1]=4 1822 B10R1.172 COc1cccc(c1)OC 7a_100000211255_200000210301 [2,0,0,0,0,0|1,0,1]=4 1823 B10R1.172 COc1cccc(c1)O[13CH3] 34a_100000211255_200025704644 [2,0,0,0,0,0|1,0,1]=4 1824 B10R1.172 COc1cccc(c1)O[13CH3] 7a_100000211255_200025704644 [2,0,0,0,0,0|1,0,1]=4 1825 B10R1.172 COc1cccc(c1)SC 34a_100011265683_200000210301 [2,0,0,0,0,0|1,0,1]=4 1826 B10R1.172 COc1cccc(c1)SC 62a_200000210301_100000170001 [2,0,0,0,0,0|1,0,1]=4 1827 B10R1.172 COc1cccc(c1)SC 7a_100011265683_200000210301 [2,0,0,0,0,0|1,0,1]=4 1828 B10R1.172 COc1cccc(c1)S[13CH3] 62a_200025704644_100000170001 [2,0,0,0,0,0|1,0,1]=4 1829 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [2,0,0,0,0,0|1,1,0]=4 1830 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [2,0,0,0,0,0|1,1,0]=4 1831 B10R1.172 CSc1cccc(c1)CF 62a_100010878472_200000210301 [2,0,0,0,0,0|1,1,0]=4 1832 B10R1.172 CSc1cccc(c1)CF 62a_200000210301_100010878472 [2,0,0,0,0,0|1,1,0]=4 1833 B10R1.172 CSc1cccc(c1)CN 62a_100000106179_200000210301 [2,0,0,0,0,0|1,1,0]=4 1834 B10R1.172 CSc1cccc(c1)CN 62a_200000210301_100000106179 [2,0,0,0,0,0|1,1,0]=4 1835 B10R1.172 CSc1cccc(c1)CO 62a_100000687537_200000210301 [2,0,0,0,0,0|1,1,0]=4 1836 B10R1.172 CSc1cccc(c1)CO 62a_200000210301_100000687537 [2,0,0,0,0,0|1,1,0]=4 1837 B10R1.172 CSc1cccc(c1)O[13CH3] 34a_100011265683_200025704644 [2,0,0,0,0,0|1,0,1]=4 1838 B10R1.172 CSc1cccc(c1)O[13CH3] 7a_100011265683_200025704644 [2,0,0,0,0,0|1,0,1]=4 1839 B10R1.172 [13CH3]Nc1cccc(c1)CF 2230a_100000126320_200025704644 [2,0,0,0,0,0|2,0,0]=4 1840 B10R1.172 [13CH3]Nc1cccc(c1)CF 34a_100000126320_200025704644 [2,0,0,0,0,0|2,0,0]=4 1841 B10R1.172 [13CH3]Nc1cccc(c1)CF 7a_100000126320_200025704644 [2,0,0,0,0,0|2,0,0]=4 1842 B10R1.172 [13CH3]Nc1cccc(c1)CO 2230a_100000211919_200025704644 [2,0,0,0,0,0|2,0,0]=4 1843 B10R1.172 [13CH3]Nc1cccc(c1)CO 34a_100000211919_200025704644 [2,0,0,0,0,0|2,0,0]=4 1844 B10R1.172 [13CH3]Oc1cc(ccn1)CN 34a_100000748557_200025704644 [2,0,0,0,0,0|2,0,0]=4 1845 B10R1.172 [13CH3]Oc1cccc(c1)C#N 34a_100000184713_200025704644 [2,0,0,0,0,0|1,0,1]=4 1846 B10R1.172 [13CH3]Oc1cccc(c1)C#N 7a_100000184713_200025704644 [2,0,0,0,0,0|1,0,1]=4 1847 B10R1.172 [13CH3]Oc1cccc(c1)CBr 34a_100011660834_200025704644 [2,0,0,0,0,0|1,0,0]=3 1848 B10R1.172 [13CH3]Oc1cccc(c1)CBr 7a_100011660834_200025704644 [2,0,0,0,0,0|1,0,0]=3 1849 B10R1.172 [13CH3]Oc1cccc(c1)CCl 34a_100000084143_200025704644 [2,0,0,0,0,0|1,0,0]=3 1850 B10R1.172 [13CH3]Oc1cccc(c1)CCl 7a_100000084143_200025704644 [2,0,0,0,0,0|1,0,0]=3 1851 B10R1.172 [13CH3]Oc1cccc(c1)CN 34a_100000743036_200025704644 [2,0,0,0,0,0|1,0,0]=3 1852 B10R1.172 [13CH3]Oc1cccc(c1)CO 34a_100011214949_200025704644 [2,0,0,0,0,0|1,0,0]=3 1853 B10R1.172 [13CH3]Oc1cccc(c1)CO 7a_100011214949_200025704644 [2,0,0,0,0,0|1,0,0]=3 1854 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [2,0,0,0,0,0|1,1,0]=4 1855 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [2,0,0,0,0,0|1,1,0]=4 1856 B10R1.172 [13CH3]Sc1cccc(c1)CF 62a_100010878472_200025704644 [2,0,0,0,0,0|1,1,0]=4 1857 B10R1.172 [13CH3]Sc1cccc(c1)CF 62a_200025704644_100010878472 [2,0,0,0,0,0|1,1,0]=4 1858 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_100000106179_200025704644 [2,0,0,0,0,0|1,1,0]=4 1859 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_200025704644_100000106179 [2,0,0,0,0,0|1,1,0]=4 1860 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_100000687537_200025704644 [2,0,0,0,0,0|1,1,0]=4 1861 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_200025704644_100000687537 [2,0,0,0,0,0|1,1,0]=4 1862 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [2,0,0,0,0,0|0,0,2]=4 1863 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [2,0,0,0,0,0|0,0,2]=4 1864 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [2,0,0,0,0,0|0,0,2]=4 1865 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [2,0,0,0,0,0|0,0,2]=4 1866 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [2,0,0,0,0,0|1,0,1]=4 1867 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [2,0,0,0,0,0|1,0,1]=4 1868 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [2,0,0,0,0,0|1,0,1]=4 1869 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [2,0,0,0,0,0|1,0,1]=4 1870 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [2,0,0,0,0,0|1,0,1]=4 1871 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [2,0,0,0,0,0|2,0,0]=4 1872 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [2,0,0,0,0,0|1,0,0]=3 1873 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [2,0,0,0,0,0|1,0,1]=4 1874 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [2,0,0,0,0,0|1,0,1]=4 1875 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [2,0,0,0,0,0|1,0,1]=4 1876 B10R1.176 C=Cc1c[nH]c(=O)c(c1)O 271570a_100011290941_100009814561 [2,0,0,0,0,0|1,0,1]=4 1877 B10R1.176 C=Cc1cc(c(cn1)Br)C 271570a_100011290941_100012356354 [2,0,0,0,0,0|2,0,0]=4 1878 B10R1.176 C=Cc1cc(c(cn1)C)C 271570a_100011290941_100009850809 [2,0,0,0,0,0|2,0,0]=4 1879 B10R1.176 C=Cc1cc(c(cn1)C)O 271570a_100011290941_100000704368 [2,0,0,0,0,0|2,0,0]=4 1880 B10R1.176 C=Cc1cc(c(cn1)F)C 271570a_100011290941_100009818257 [2,0,0,0,0,0|2,0,0]=4 1881 B10R1.176 C=Cc1cc(c(cn1)F)O 271570a_100011290941_100009854642 [2,0,0,0,0,0|2,0,0]=4 1882 B10R1.176 C=Cc1cc(c(cn1)N)C 271570a_100011290941_100000765520 [2,0,0,0,0,0|2,0,0]=4 1883 B10R1.176 C=Cc1cc(c(cn1)O)C 271570a_100011290941_100000692680 [2,0,0,0,0,0|1,0,0]=3 1884 B10R1.176 C=Cc1cc(c(cn1)O)N 271570a_100011290941_100009819941 [2,0,0,0,0,0|2,0,0]=4 1885 B10R1.176 C=Cc1ccc(=O)n(c1)C 271570a_100011290941_100011245003 [2,0,0,0,0,0|1,0,1]=4 1886 B10R1.176 C=Cc1ccc(c(c1)Br)Br 271570a_100011290941_100012356285 [2,0,0,0,0,0|2,0,0]=4 1887 B10R1.176 C=Cc1ccc(c(c1)Br)C 271570a_100011290941_100011847877 [2,0,0,0,0,0|2,0,0]=4 1888 B10R1.176 C=Cc1ccc(c(c1)Br)Cl 271570a_100011290941_100012353702 [2,0,0,0,0,0|2,0,0]=4 1889 B10R1.176 C=Cc1ccc(c(c1)Br)F 271570a_100011290941_100012047266 [2,0,0,0,0,0|2,0,0]=4 1890 B10R1.176 C=Cc1ccc(c(c1)Br)N 271570a_100011290941_100000750455 [2,0,0,0,0,0|2,0,0]=4 1891 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [2,0,0,0,0,0|1,0,0]=3 1892 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [2,0,0,0,0,0|1,0,0]=3 1893 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [2,0,0,0,0,0|1,0,0]=3 1894 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [2,0,0,0,0,0|1,0,0]=3 1895 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [2,0,0,0,0,0|1,0,0]=3 1896 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [2,0,0,0,0,0|1,0,0]=3 1897 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [2,0,0,0,0,0|0,0,0]=2 1898 B10R1.176 C=Cc1ccc(c(c1)Cl)Br 271570a_100011290941_100012047281 [2,0,0,0,0,0|2,0,0]=4 1899 B10R1.176 C=Cc1ccc(c(c1)Cl)C 271570a_100011290941_100011216363 [2,0,0,0,0,0|2,0,0]=4 1900 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl 271570a_100011290941_100011214914 [2,0,0,0,0,0|2,0,0]=4 1901 B10R1.176 C=Cc1ccc(c(c1)Cl)F 271570a_100011290941_100011215976 [2,0,0,0,0,0|2,0,0]=4 1902 B10R1.176 C=Cc1ccc(c(c1)Cl)N 271570a_100011290941_100011218065 [2,0,0,0,0,0|2,0,0]=4 1903 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [2,0,0,0,0,0|1,0,0]=3 1904 B10R1.176 C=Cc1ccc(c(c1)F)Br 271570a_100011290941_100000685389 [2,0,0,0,0,0|2,0,0]=4 1905 B10R1.176 C=Cc1ccc(c(c1)F)C 271570a_100011290941_100000720648 [2,0,0,0,0,0|2,0,0]=4 1906 B10R1.176 C=Cc1ccc(c(c1)F)Cl 271570a_100011290941_100011216805 [2,0,0,0,0,0|2,0,0]=4 1907 B10R1.176 C=Cc1ccc(c(c1)F)F 271570a_100011290941_100000750028 [2,0,0,0,0,0|2,0,0]=4 1908 B10R1.176 C=Cc1ccc(c(c1)F)N 271570a_100011290941_100011215594 [2,0,0,0,0,0|2,0,0]=4 1909 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [2,0,0,0,0,0|1,0,0]=3 1910 B10R1.176 C=Cc1ccc(c(c1)N)Br 271570a_100011290941_100000750456 [2,0,0,0,0,0|2,0,0]=4 1911 B10R1.176 C=Cc1ccc(c(c1)N)C 271570a_100011290941_100000761890 [2,0,0,0,0,0|2,0,0]=4 1912 B10R1.176 C=Cc1ccc(c(c1)N)Cl 271570a_100011290941_200000761891 [2,0,0,0,0,0|2,0,0]=4 1913 B10R1.176 C=Cc1ccc(c(c1)N)F 271570a_100011290941_100000740924 [2,0,0,0,0,0|2,0,0]=4 1914 B10R1.176 C=Cc1ccc(c(c1)N)N 271570a_100011290941_100000741789 [2,0,0,0,0,0|2,0,0]=4 1915 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [2,0,0,0,0,0|1,0,0]=3 1916 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [2,0,0,0,0,0|1,0,0]=3 1917 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [2,0,0,0,0,0|1,0,0]=3 1918 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [2,0,0,0,0,0|1,0,0]=3 1919 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [2,0,0,0,0,0|1,0,0]=3 1920 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [2,0,0,0,0,0|1,0,0]=3 1921 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [2,0,0,0,0,0|0,0,0]=2 1922 B10R1.176 C=Cc1ccc(c(n1)Br)O 271570a_100011290941_100000725334 [2,0,0,0,0,0|2,0,0]=4 1923 B10R1.176 C=Cc1ccc(c(n1)C)Br 271570a_100011290941_100012360386 [2,0,0,0,0,0|2,0,0]=4 1924 B10R1.176 C=Cc1ccc(c(n1)C)C 271570a_100011290941_100000103781 [2,0,0,0,0,0|2,0,0]=4 1925 B10R1.176 C=Cc1ccc(c(n1)C)F 271570a_100011290941_100009814307 [2,0,0,0,0,0|2,0,0]=4 1926 B10R1.176 C=Cc1ccc(c(n1)C)N 271570a_100011290941_100000760127 [2,0,0,0,0,0|2,0,0]=4 1927 B10R1.176 C=Cc1ccc(c(n1)C)O 271570a_100011290941_100010233687 [2,0,0,0,0,0|1,0,0]=3 1928 B10R1.176 C=Cc1ccc(c(n1)Cl)O 271570a_100011290941_100000721234 [2,0,0,0,0,0|2,0,0]=4 1929 B10R1.176 C=Cc1ccc(c(n1)F)O 271570a_100011290941_100009819667 [2,0,0,0,0,0|2,0,0]=4 1930 B10R1.176 C=Cc1ccc(c(n1)N)O 271570a_100011290941_100000685527 [2,0,0,0,0,0|2,0,0]=4 1931 B10R1.176 C=Cc1ccc(c(n1)O)F 271570a_100011290941_100010729010 [2,0,0,0,0,0|2,0,0]=4 1932 B10R1.176 C=Cc1ccc(c(n1)O)N 271570a_100011290941_100000718904 [2,0,0,0,0,0|2,0,0]=4 1933 B10R1.176 C=Cc1cnc(c(c1)C)Br 271570a_100011290941_100009816107 [2,0,0,0,0,0|2,0,0]=4 1934 B10R1.176 C=Cc1cnc(c(c1)C)C 271570a_100011290941_100000697892 [2,0,0,0,0,0|2,0,0]=4 1935 B10R1.176 C=Cc1cnc(c(c1)C)Cl 271570a_100011290941_100009922867 [2,0,0,0,0,0|2,0,0]=4 1936 B10R1.176 C=Cc1cnc(c(c1)C)F 271570a_100011290941_100000709442 [2,0,0,0,0,0|2,0,0]=4 1937 B10R1.176 C=Cc1cnc(c(c1)C)N 271570a_100011290941_100000186686 [2,0,0,0,0,0|2,0,0]=4 1938 B10R1.176 C=Cc1cnc(c(c1)C)O 271570a_100011290941_100000685391 [2,0,0,0,0,0|1,0,0]=3 1939 B10R1.176 C=Cc1cnc(c(c1)Cl)O 271570a_100011290941_100010238531 [2,0,0,0,0,0|2,0,0]=4 1940 B10R1.176 C=Cc1cnc(c(c1)N)O 271570a_100011290941_100000743729 [2,0,0,0,0,0|2,0,0]=4 1941 B10R1.176 C=Cc1cnc(c(c1)O)C 271570a_100011290941_100009864810 [2,0,0,0,0,0|2,0,0]=4 1942 B10R1.176 C=Cc1cnc(c(c1)O)F 271570a_100011290941_100009819871 [2,0,0,0,0,0|2,0,0]=4 1943 B10R1.176 C=Cc1cnc(c(c1)O)N 271570a_100011290941_100009819042 [2,0,0,0,0,0|2,0,0]=4 1944 B10R1.176 CCc1ccc(c(c1)Br)O 271570a_203496583355_200009997437 [2,0,0,0,0,0|1,0,1]=4 1945 B10R1.176 CCc1ccc(c(c1)F)O 271570a_203496583355_200010339503 [2,0,0,0,0,0|1,0,1]=4 1946 B10R1.176 CCc1ccc(c(c1)O)F 271570a_203496583355_200010244628 [2,0,0,0,0,0|1,0,1]=4 1947 B10R1.176 CCc1ccc(c(c1)O)N 271570a_203496583355_100012339725 [2,0,0,0,0,0|1,0,1]=4 1948 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [2,0,0,0,0,0|0,0,1]=3 1949 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [2,0,0,0,0,0|1,0,1]=4 1950 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [2,0,0,0,0,0|1,0,1]=4 1951 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [2,0,0,0,0,0|1,0,1]=4 1952 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [2,0,0,0,0,0|1,0,1]=4 1953 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [2,0,0,0,0,0|1,0,1]=4 1954 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [2,0,0,0,0,0|1,0,1]=4 1955 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [2,0,0,0,0,0|1,0,1]=4 1956 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [2,0,0,0,0,0|1,0,1]=4 1957 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [2,0,0,0,0,0|1,0,1]=4 1958 B10R1.176 Cc1cc(ccc1O)C#N 271570a_203496583355_100000212329 [2,0,0,0,0,0|1,0,1]=4 1959 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [2,0,0,0,0,0|1,0,0]=3 1960 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [2,0,0,0,0,0|1,0,0]=3 1961 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [2,0,0,0,0,0|1,0,0]=3 1962 B10R1.176 Cc1cc(ccc1O)NN 271570a_203496583355_100000745493 [2,0,0,0,0,0|2,0,0]=4 1963 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [2,0,0,0,0,0|1,0,1]=4 1964 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [2,0,0,0,0,0|1,0,1]=4 1965 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [2,0,0,0,0,0|1,0,1]=4 1966 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [2,0,0,0,0,0|2,0,0]=4 1967 B10R1.176 Cc1cc(cnc1O)CO 271570a_203496583355_200000092119 [2,0,0,0,0,0|2,0,0]=4 1968 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [2,0,0,0,0,0|2,0,0]=4 1969 B10R1.176 Cc1cc(ncc1O)CO 271570a_203496583355_200010713146 [2,0,0,0,0,0|2,0,0]=4 1970 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [2,0,0,0,0,0|2,0,0]=4 1971 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [2,0,0,0,0,0|2,0,0]=4 1972 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [2,0,0,0,0,0|2,0,0]=4 1973 B10R1.176 Cc1nc(ccc1O)CO 271570a_203496583355_100010114280 [2,0,0,0,0,0|2,0,0]=4 1974 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [2,0,0,0,0,0|1,0,1]=4 1975 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [2,0,0,0,0,0|1,0,1]=4 1976 B10R1.176 NCc1ccc(c(c1)F)O 271570a_203496583355_100000755036 [2,0,0,0,0,0|2,0,0]=4 1977 B10R1.176 NCc1ccc(c(c1)O)F 271570a_203496583355_100015193890 [2,0,0,0,0,0|2,0,0]=4 1978 B10R1.176 Nc1cc(ccc1O)CO 271570a_203496583355_100012347568 [2,0,0,0,0,0|2,0,0]=4 1979 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [2,0,0,0,0,0|2,0,0]=4 1980 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [2,0,0,0,0,0|2,0,0]=4 1981 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [2,0,0,0,0,0|2,0,0]=4 1982 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [2,0,0,0,0,0|2,0,0]=4 1983 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [2,0,0,0,0,0|1,0,0]=3 1984 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [2,0,0,0,0,0|1,0,0]=3 1985 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [2,0,0,0,0,0|2,0,0]=4 1986 B10R1.176 OCc1ccc(c(c1)Cl)O 271570a_203496583355_100000718186 [2,0,0,0,0,0|2,0,0]=4 1987 B10R1.176 OCc1ccc(c(c1)F)O 271570a_203496583355_100011533735 [2,0,0,0,0,0|2,0,0]=4 1988 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [2,0,0,0,0,0|2,0,0]=4 1989 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [2,0,0,0,0,0|1,0,0]=3 1990 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [2,0,0,0,0,0|1,0,0]=3 1991 B10R1.176 OCc1ccc(c(n1)O)O 271570a_203496583355_200000118097 [2,0,0,0,0,0|2,0,0]=4 1992 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [2,0,0,0,0,0|1,0,1]=4 1993 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [2,0,0,0,0,0|1,0,1]=4 1994 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [2,0,0,0,0,0|1,0,1]=4 1995 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [2,0,0,0,0,0|2,0,0]=4 1996 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [2,0,0,0,0,0|2,0,0]=4 1997 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [2,0,0,0,0,0|2,0,0]=4 1998 B10R1.30 CNc1cc(ccc1Br)C 34a_100000745044_200000210301 [2,0,0,0,0,0|2,0,0]=4 1999 B10R1.30 CNc1cc(ccc1C)C 2230a_100000185781_200000210301 [2,0,0,0,0,0|2,0,0]=4 2000 B10R1.30 CNc1cc(ccc1C)C 34a_100000185781_200000210301 [2,0,0,0,0,0|2,0,0]=4 2001 B10R1.30 CNc1cc(ccc1C)C 7a_100000185781_200000210301 [2,0,0,0,0,0|2,0,0]=4 2002 B10R1.30 CNc1cc(ccc1Cl)C 34a_100011215360_200000210301 [2,0,0,0,0,0|2,0,0]=4 2003 B10R1.30 CNc1cc(ccc1F)C 34a_100000211285_200000210301 [2,0,0,0,0,0|2,0,0]=4 2004 B10R1.30 CNc1cc(ccc1I)C 34a_100011216686_200000210301 [2,0,0,0,0,0|2,0,0]=4 2005 B10R1.30 CNc1cc(ccc1O)Br 34a_100000752626_200000210301 [2,0,0,0,0,0|2,0,0]=4 2006 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [2,0,0,0,0,0|1,0,0]=3 2007 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [2,0,0,0,0,0|2,0,0]=4 2008 B10R1.30 CNc1cc(ccc1O)F 271570a_203496583355_100020633008 [2,0,0,0,0,0|2,0,0]=4 2009 B10R1.30 CNc1cc(ccc1O)F 34a_100000759472_200000210301 [2,0,0,0,0,0|2,0,0]=4 2010 B10R1.30 COc1cc(ccc1Br)Br 34a_100011220040_200000210301 [2,0,0,0,0,0|2,0,0]=4 2011 B10R1.30 COc1cc(ccc1Br)Br 7a_100011220040_200000210301 [2,0,0,0,0,0|2,0,0]=4 2012 B10R1.30 COc1cc(ccc1Br)C 34a_100012002257_200000210301 [2,0,0,0,0,0|1,0,0]=3 2013 B10R1.30 COc1cc(ccc1Br)C 7a_100012002257_200000210301 [2,0,0,0,0,0|1,0,0]=3 2014 B10R1.30 COc1cc(ccc1Br)Cl 34a_100012339455_200000210301 [2,0,0,0,0,0|2,0,0]=4 2015 B10R1.30 COc1cc(ccc1Br)Cl 7a_100012339455_200000210301 [2,0,0,0,0,0|2,0,0]=4 2016 B10R1.30 COc1cc(ccc1Br)F 34a_100000690578_200000210301 [2,0,0,0,0,0|2,0,0]=4 2017 B10R1.30 COc1cc(ccc1Br)F 7a_100000690578_200000210301 [2,0,0,0,0,0|2,0,0]=4 2018 B10R1.30 COc1cc(ccc1Br)I 34a_100012356990_200000210301 [2,0,0,0,0,0|2,0,0]=4 2019 B10R1.30 COc1cc(ccc1Br)I 7a_100012356990_200000210301 [2,0,0,0,0,0|2,0,0]=4 2020 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [2,0,0,0,0,0|2,0,0]=4 2021 B10R1.30 COc1cc(ccc1C)Br 34a_100000685420_200000210301 [2,0,0,0,0,0|2,0,0]=4 2022 B10R1.30 COc1cc(ccc1C)Br 7a_100000685420_200000210301 [2,0,0,0,0,0|2,0,0]=4 2023 B10R1.30 COc1cc(ccc1C)C 34a_100000210931_200000210301 [2,0,0,0,0,0|1,0,0]=3 2024 B10R1.30 COc1cc(ccc1C)C 7a_100000210931_200000210301 [2,0,0,0,0,0|1,0,0]=3 2025 B10R1.30 COc1cc(ccc1C)Cl 34a_100000756515_200000210301 [2,0,0,0,0,0|2,0,0]=4 2026 B10R1.30 COc1cc(ccc1C)Cl 7a_100000756515_200000210301 [2,0,0,0,0,0|2,0,0]=4 2027 B10R1.30 COc1cc(ccc1C)F 34a_100000690566_200000210301 [2,0,0,0,0,0|2,0,0]=4 2028 B10R1.30 COc1cc(ccc1C)F 7a_100000690566_200000210301 [2,0,0,0,0,0|2,0,0]=4 2029 B10R1.30 COc1cc(ccc1C)I 7a_100000766334_200000210301 [2,0,0,0,0,0|2,0,0]=4 2030 B10R1.30 COc1cc(ccc1C)N 34a_100000759471_200000210301 [2,0,0,0,0,0|2,0,0]=4 2031 B10R1.30 COc1cc(ccc1C)N 7a_100000759471_200000210301 [2,0,0,0,0,0|2,0,0]=4 2032 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [2,0,0,0,0,0|2,0,0]=4 2033 B10R1.30 COc1cc(ccc1Cl)Br 34a_100000738945_200000210301 [2,0,0,0,0,0|2,0,0]=4 2034 B10R1.30 COc1cc(ccc1Cl)Br 7a_100000738945_200000210301 [2,0,0,0,0,0|2,0,0]=4 2035 B10R1.30 COc1cc(ccc1Cl)C 34a_100000211493_200000210301 [2,0,0,0,0,0|1,0,0]=3 2036 B10R1.30 COc1cc(ccc1Cl)C 7a_100000211493_200000210301 [2,0,0,0,0,0|1,0,0]=3 2037 B10R1.30 COc1cc(ccc1Cl)Cl 34a_100000211422_200000210301 [2,0,0,0,0,0|2,0,0]=4 2038 B10R1.30 COc1cc(ccc1Cl)Cl 7a_100000211422_200000210301 [2,0,0,0,0,0|2,0,0]=4 2039 B10R1.30 COc1cc(ccc1Cl)F 34a_100000692107_200000210301 [2,0,0,0,0,0|2,0,0]=4 2040 B10R1.30 COc1cc(ccc1Cl)F 7a_100000692107_200000210301 [2,0,0,0,0,0|2,0,0]=4 2041 B10R1.30 COc1cc(ccc1Cl)I 34a_100011356854_200000210301 [2,0,0,0,0,0|2,0,0]=4 2042 B10R1.30 COc1cc(ccc1Cl)I 7a_100011356854_200000210301 [2,0,0,0,0,0|2,0,0]=4 2043 B10R1.30 COc1cc(ccc1Cl)N 34a_100011934209_200000210301 [2,0,0,0,0,0|2,0,0]=4 2044 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [2,0,0,0,0,0|2,0,0]=4 2045 B10R1.30 COc1cc(ccc1F)Br 34a_100000686035_200000210301 [2,0,0,0,0,0|2,0,0]=4 2046 B10R1.30 COc1cc(ccc1F)Br 7a_100000686035_200000210301 [2,0,0,0,0,0|2,0,0]=4 2047 B10R1.30 COc1cc(ccc1F)C 34a_100000759540_200000210301 [2,0,0,0,0,0|1,0,0]=3 2048 B10R1.30 COc1cc(ccc1F)C 7a_100000759540_200000210301 [2,0,0,0,0,0|1,0,0]=3 2049 B10R1.30 COc1cc(ccc1F)Cl 34a_100000757397_200000210301 [2,0,0,0,0,0|2,0,0]=4 2050 B10R1.30 COc1cc(ccc1F)Cl 7a_100000757397_200000210301 [2,0,0,0,0,0|2,0,0]=4 2051 B10R1.30 COc1cc(ccc1F)F 34a_100000752141_200000210301 [2,0,0,0,0,0|2,0,0]=4 2052 B10R1.30 COc1cc(ccc1F)F 7a_100000752141_200000210301 [2,0,0,0,0,0|2,0,0]=4 2053 B10R1.30 COc1cc(ccc1F)I 34a_100009958187_200000210301 [2,0,0,0,0,0|2,0,0]=4 2054 B10R1.30 COc1cc(ccc1F)I 7a_100009958187_200000210301 [2,0,0,0,0,0|2,0,0]=4 2055 B10R1.30 COc1cc(ccc1F)N 34a_100012017398_200000210301 [2,0,0,0,0,0|2,0,0]=4 2056 B10R1.30 COc1cc(ccc1F)N 7a_100012017398_200000210301 [2,0,0,0,0,0|2,0,0]=4 2057 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [2,0,0,0,0,0|2,0,0]=4 2058 B10R1.30 COc1cc(ccc1I)Br 34a_100012344904_200000210301 [2,0,0,0,0,0|2,0,0]=4 2059 B10R1.30 COc1cc(ccc1I)Br 7a_100012344904_200000210301 [2,0,0,0,0,0|2,0,0]=4 2060 B10R1.30 COc1cc(ccc1I)Cl 34a_100000050036_200000210301 [2,0,0,0,0,0|2,0,0]=4 2061 B10R1.30 COc1cc(ccc1I)Cl 7a_100000050036_200000210301 [2,0,0,0,0,0|2,0,0]=4 2062 B10R1.30 COc1cc(ccc1I)F 34a_100010084537_200000210301 [2,0,0,0,0,0|2,0,0]=4 2063 B10R1.30 COc1cc(ccc1I)F 7a_100010084537_200000210301 [2,0,0,0,0,0|2,0,0]=4 2064 B10R1.30 COc1cc(ccc1N)Br 34a_100000739049_200000210301 [2,0,0,0,0,0|2,0,0]=4 2065 B10R1.30 COc1cc(ccc1N)Br 7a_100000739049_200000210301 [2,0,0,0,0,0|2,0,0]=4 2066 B10R1.30 COc1cc(ccc1N)C 34a_100000211527_200000210301 [2,0,0,0,0,0|1,0,0]=3 2067 B10R1.30 COc1cc(ccc1N)C 7a_100000211527_200000210301 [2,0,0,0,0,0|1,0,0]=3 2068 B10R1.30 COc1cc(ccc1N)Cl 34a_100000185728_200000210301 [2,0,0,0,0,0|2,0,0]=4 2069 B10R1.30 COc1cc(ccc1N)Cl 7a_100000185728_200000210301 [2,0,0,0,0,0|2,0,0]=4 2070 B10R1.30 COc1cc(ccc1N)F 34a_100000753323_200000210301 [2,0,0,0,0,0|2,0,0]=4 2071 B10R1.30 COc1cc(ccc1N)F 7a_100000753323_200000210301 [2,0,0,0,0,0|2,0,0]=4 2072 B10R1.30 COc1cc(ccc1N)I 34a_100000057187_200000210301 [2,0,0,0,0,0|2,0,0]=4 2073 B10R1.30 COc1cc(ccc1N)I 7a_100000057187_200000210301 [2,0,0,0,0,0|2,0,0]=4 2074 B10R1.30 COc1cc(ccc1N)N 34a_100025717382_200000210301 [2,0,0,0,0,0|2,0,0]=4 2075 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [2,0,0,0,0,0|2,0,0]=4 2076 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [2,0,0,0,0,0|1,0,0]=3 2077 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [2,0,0,0,0,0|0,0,0]=2 2078 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [2,0,0,0,0,0|1,0,0]=3 2079 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [2,0,0,0,0,0|1,0,0]=3 2080 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [2,0,0,0,0,0|1,0,0]=3 2081 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [2,0,0,0,0,0|1,0,0]=3 2082 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [2,0,0,0,0,0|1,0,0]=3 2083 B10R1.30 COc1cc(cnc1Cl)C 34a_100012000487_200000210301 [2,0,0,0,0,0|2,0,0]=4 2084 B10R1.30 COc1cc(cnc1Cl)C 7a_100012000487_200000210301 [2,0,0,0,0,0|2,0,0]=4 2085 B10R1.30 COc1cc(cnc1F)C 34a_100009849810_200000210301 [2,0,0,0,0,0|2,0,0]=4 2086 B10R1.30 COc1cc(cnc1F)C 7a_100009849810_200000210301 [2,0,0,0,0,0|2,0,0]=4 2087 B10R1.30 COc1cc(cnc1O)C 271570a_203496583355_200000118316 [2,0,0,0,0,0|1,0,0]=3 2088 B10R1.30 COc1cc(cnc1O)F 271570a_203496583355_100009867738 [2,0,0,0,0,0|2,0,0]=4 2089 B10R1.30 COc1cc(cnc1O)N 271570a_203496583355_100000097218 [2,0,0,0,0,0|2,0,0]=4 2090 B10R1.30 COc1cc(ncc1Br)C 34a_100011016184_200000210301 [2,0,0,0,0,0|2,0,0]=4 2091 B10R1.30 COc1cc(ncc1O)C 271570a_203496583355_100000717771 [2,0,0,0,0,0|1,0,0]=3 2092 B10R1.30 COc1cc(ncc1O)Cl 271570a_203496583355_100010154656 [2,0,0,0,0,0|2,0,0]=4 2093 B10R1.30 COc1cc(ncc1O)F 271570a_203496583355_100010135560 [2,0,0,0,0,0|2,0,0]=4 2094 B10R1.30 COc1cc(ncc1O)N 271570a_203496583355_100015506990 [2,0,0,0,0,0|2,0,0]=4 2095 B10R1.30 COc1nc(ccc1Br)C 34a_100009817604_200000210301 [2,0,0,0,0,0|2,0,0]=4 2096 B10R1.30 COc1nc(ccc1N)C 34a_100000687486_200000210301 [2,0,0,0,0,0|2,0,0]=4 2097 B10R1.30 COc1nc(ccc1O)C 271570a_203496583355_100010138632 [2,0,0,0,0,0|1,0,0]=3 2098 B10R1.30 COc1nc(ccc1O)N 271570a_203496583355_100010187630 [2,0,0,0,0,0|2,0,0]=4 2099 B10R1.30 COc1nc(ccc1O)O 271570a_203496583355_100010893133 [2,0,0,0,0,0|2,0,0]=4 2100 B10R1.30 CSc1cc(ccc1Br)C 62a_100012353751_200000210301 [2,0,0,0,0,0|1,1,0]=4 2101 B10R1.30 CSc1cc(ccc1Br)C 62a_200000210301_100012353751 [2,0,0,0,0,0|1,1,0]=4 2102 B10R1.30 CSc1cc(ccc1C)C 62a_100000210833_200000210301 [2,0,0,0,0,0|1,1,0]=4 2103 B10R1.30 CSc1cc(ccc1C)C 62a_200000210301_100000210833 [2,0,0,0,0,0|1,1,0]=4 2104 B10R1.30 CSc1cc(ccc1Cl)C 62a_100012356289_200000210301 [2,0,0,0,0,0|1,1,0]=4 2105 B10R1.30 CSc1cc(ccc1Cl)C 62a_200000210301_100012356289 [2,0,0,0,0,0|1,1,0]=4 2106 B10R1.30 CSc1cc(ccc1F)C 62a_100000736223_200000210301 [2,0,0,0,0,0|1,1,0]=4 2107 B10R1.30 CSc1cc(ccc1F)C 62a_200000210301_100000736223 [2,0,0,0,0,0|1,1,0]=4 2108 B10R1.30 CSc1cc(ccc1N)C 62a_100011356834_200000210301 [2,0,0,0,0,0|1,1,0]=4 2109 B10R1.30 CSc1cc(ccc1N)C 62a_200000210301_100011356834 [2,0,0,0,0,0|1,1,0]=4 2110 B10R1.30 CSc1cc(ccc1O)Br 62a_100012355227_200000210301 [2,0,0,0,0,0|1,1,0]=4 2111 B10R1.30 CSc1cc(ccc1O)Br 62a_200000210301_100012355227 [2,0,0,0,0,0|1,1,0]=4 2112 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [2,0,0,0,0,0|0,1,0]=3 2113 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [2,0,0,0,0,0|0,1,0]=3 2114 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [2,0,0,0,0,0|0,1,0]=3 2115 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [2,0,0,0,0,0|1,1,0]=4 2116 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [2,0,0,0,0,0|1,1,0]=4 2117 B10R1.30 CSc1cc(ccc1O)F 62a_100000211999_200000210301 [2,0,0,0,0,0|1,1,0]=4 2118 B10R1.30 CSc1cc(ccc1O)F 62a_200000210301_100000211999 [2,0,0,0,0,0|1,1,0]=4 2119 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [2,0,0,0,0,0|1,1,0]=4 2120 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [2,0,0,0,0,0|1,1,0]=4 2121 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [2,0,0,0,0,0|1,1,0]=4 2122 B10R1.30 CSc1cc(cnc1O)C 271570a_203496583355_100010884634 [2,0,0,0,0,0|1,1,0]=4 2123 B10R1.30 CSc1cc(cnc1O)C 62a_100000719714_200000210301 [2,0,0,0,0,0|1,1,0]=4 2124 B10R1.30 CSc1cc(cnc1O)C 62a_200000210301_100000719714 [2,0,0,0,0,0|1,1,0]=4 2125 B10R1.30 CSc1cc(ncc1O)C 62a_100009843476_200000210301 [2,0,0,0,0,0|1,1,0]=4 2126 B10R1.30 CSc1cc(ncc1O)C 62a_200000210301_100009843476 [2,0,0,0,0,0|1,1,0]=4 2127 B10R1.30 CSc1nc(ccc1O)C 62a_100000702858_200000210301 [2,0,0,0,0,0|1,1,0]=4 2128 B10R1.30 CSc1nc(ccc1O)C 62a_200000210301_100000702858 [2,0,0,0,0,0|1,1,0]=4 2129 B10R1.30 Cc1cc(c(cn1)Br)O[13CH3] 34a_100011016184_200025704644 [2,0,0,0,0,0|2,0,0]=4 2130 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_100009843476_200025704644 [2,0,0,0,0,0|1,1,0]=4 2131 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_200025704644_100009843476 [2,0,0,0,0,0|1,1,0]=4 2132 B10R1.30 Cc1ccc(c(c1)C#N)O 271570a_203496583355_100011935190 [2,0,0,0,0,0|2,0,0]=4 2133 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [2,0,0,0,0,0|2,0,0]=4 2134 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [2,0,0,0,0,0|2,0,0]=4 2135 B10R1.30 Cc1ccc(c(c1)N[13CH3])Br 34a_100000745044_200025704644 [2,0,0,0,0,0|2,0,0]=4 2136 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 2230a_100000185781_200025704644 [2,0,0,0,0,0|2,0,0]=4 2137 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 34a_100000185781_200025704644 [2,0,0,0,0,0|2,0,0]=4 2138 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 7a_100000185781_200025704644 [2,0,0,0,0,0|2,0,0]=4 2139 B10R1.30 Cc1ccc(c(c1)N[13CH3])Cl 34a_100011215360_200025704644 [2,0,0,0,0,0|2,0,0]=4 2140 B10R1.30 Cc1ccc(c(c1)N[13CH3])F 34a_100000211285_200025704644 [2,0,0,0,0,0|2,0,0]=4 2141 B10R1.30 Cc1ccc(c(c1)N[13CH3])I 34a_100011216686_200025704644 [2,0,0,0,0,0|2,0,0]=4 2142 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [2,0,0,0,0,0|1,0,0]=3 2143 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 34a_100012002257_200025704644 [2,0,0,0,0,0|1,0,0]=3 2144 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 7a_100012002257_200025704644 [2,0,0,0,0,0|1,0,0]=3 2145 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 34a_100000210931_200025704644 [2,0,0,0,0,0|1,0,0]=3 2146 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 7a_100000210931_200025704644 [2,0,0,0,0,0|1,0,0]=3 2147 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 34a_100000211493_200025704644 [2,0,0,0,0,0|1,0,0]=3 2148 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 7a_100000211493_200025704644 [2,0,0,0,0,0|1,0,0]=3 2149 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 34a_100000759540_200025704644 [2,0,0,0,0,0|1,0,0]=3 2150 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 7a_100000759540_200025704644 [2,0,0,0,0,0|1,0,0]=3 2151 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 34a_100000211527_200025704644 [2,0,0,0,0,0|1,0,0]=3 2152 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 7a_100000211527_200025704644 [2,0,0,0,0,0|1,0,0]=3 2153 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_100012353751_200025704644 [2,0,0,0,0,0|1,1,0]=4 2154 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012353751 [2,0,0,0,0,0|1,1,0]=4 2155 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_100000210833_200025704644 [2,0,0,0,0,0|1,1,0]=4 2156 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000210833 [2,0,0,0,0,0|1,1,0]=4 2157 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_100012356289_200025704644 [2,0,0,0,0,0|1,1,0]=4 2158 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100012356289 [2,0,0,0,0,0|1,1,0]=4 2159 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_100000736223_200025704644 [2,0,0,0,0,0|1,1,0]=4 2160 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000736223 [2,0,0,0,0,0|1,1,0]=4 2161 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_100011356834_200025704644 [2,0,0,0,0,0|1,1,0]=4 2162 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_200025704644_100011356834 [2,0,0,0,0,0|1,1,0]=4 2163 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [2,0,0,0,0,0|0,1,0]=3 2164 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [2,0,0,0,0,0|0,1,0]=3 2165 B10R1.30 Cc1ccc(c(n1)O[13CH3])Br 34a_100009817604_200025704644 [2,0,0,0,0,0|2,0,0]=4 2166 B10R1.30 Cc1ccc(c(n1)O[13CH3])N 34a_100000687486_200025704644 [2,0,0,0,0,0|2,0,0]=4 2167 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_100000702858_200025704644 [2,0,0,0,0,0|1,1,0]=4 2168 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_200025704644_100000702858 [2,0,0,0,0,0|1,1,0]=4 2169 B10R1.30 Cc1ccc(cc1O[13CH3])Br 34a_100000685420_200025704644 [2,0,0,0,0,0|2,0,0]=4 2170 B10R1.30 Cc1ccc(cc1O[13CH3])Br 7a_100000685420_200025704644 [2,0,0,0,0,0|2,0,0]=4 2171 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 34a_100000756515_200025704644 [2,0,0,0,0,0|2,0,0]=4 2172 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 7a_100000756515_200025704644 [2,0,0,0,0,0|2,0,0]=4 2173 B10R1.30 Cc1ccc(cc1O[13CH3])F 34a_100000690566_200025704644 [2,0,0,0,0,0|2,0,0]=4 2174 B10R1.30 Cc1ccc(cc1O[13CH3])F 7a_100000690566_200025704644 [2,0,0,0,0,0|2,0,0]=4 2175 B10R1.30 Cc1ccc(cc1O[13CH3])I 7a_100000766334_200025704644 [2,0,0,0,0,0|2,0,0]=4 2176 B10R1.30 Cc1ccc(cc1O[13CH3])N 34a_100000759471_200025704644 [2,0,0,0,0,0|2,0,0]=4 2177 B10R1.30 Cc1ccc(cc1O[13CH3])N 7a_100000759471_200025704644 [2,0,0,0,0,0|2,0,0]=4 2178 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 34a_100012000487_200025704644 [2,0,0,0,0,0|2,0,0]=4 2179 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 7a_100012000487_200025704644 [2,0,0,0,0,0|2,0,0]=4 2180 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 34a_100009849810_200025704644 [2,0,0,0,0,0|2,0,0]=4 2181 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 7a_100009849810_200025704644 [2,0,0,0,0,0|2,0,0]=4 2182 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_100000719714_200025704644 [2,0,0,0,0,0|1,1,0]=4 2183 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_200025704644_100000719714 [2,0,0,0,0,0|1,1,0]=4 2184 B10R1.30 [13CH3]Nc1cc(ccc1O)Br 34a_100000752626_200025704644 [2,0,0,0,0,0|2,0,0]=4 2185 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [2,0,0,0,0,0|2,0,0]=4 2186 B10R1.30 [13CH3]Nc1cc(ccc1O)F 34a_100000759472_200025704644 [2,0,0,0,0,0|2,0,0]=4 2187 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 34a_100011220040_200025704644 [2,0,0,0,0,0|2,0,0]=4 2188 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 7a_100011220040_200025704644 [2,0,0,0,0,0|2,0,0]=4 2189 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 34a_100012339455_200025704644 [2,0,0,0,0,0|2,0,0]=4 2190 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 7a_100012339455_200025704644 [2,0,0,0,0,0|2,0,0]=4 2191 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 34a_100000690578_200025704644 [2,0,0,0,0,0|2,0,0]=4 2192 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 7a_100000690578_200025704644 [2,0,0,0,0,0|2,0,0]=4 2193 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 34a_100012356990_200025704644 [2,0,0,0,0,0|2,0,0]=4 2194 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 7a_100012356990_200025704644 [2,0,0,0,0,0|2,0,0]=4 2195 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 34a_100000738945_200025704644 [2,0,0,0,0,0|2,0,0]=4 2196 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 7a_100000738945_200025704644 [2,0,0,0,0,0|2,0,0]=4 2197 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 34a_100000211422_200025704644 [2,0,0,0,0,0|2,0,0]=4 2198 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 7a_100000211422_200025704644 [2,0,0,0,0,0|2,0,0]=4 2199 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 34a_100000692107_200025704644 [2,0,0,0,0,0|2,0,0]=4 2200 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 7a_100000692107_200025704644 [2,0,0,0,0,0|2,0,0]=4 2201 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 34a_100011356854_200025704644 [2,0,0,0,0,0|2,0,0]=4 2202 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 7a_100011356854_200025704644 [2,0,0,0,0,0|2,0,0]=4 2203 B10R1.30 [13CH3]Oc1cc(ccc1Cl)N 34a_100011934209_200025704644 [2,0,0,0,0,0|2,0,0]=4 2204 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 34a_100000686035_200025704644 [2,0,0,0,0,0|2,0,0]=4 2205 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 7a_100000686035_200025704644 [2,0,0,0,0,0|2,0,0]=4 2206 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 34a_100000757397_200025704644 [2,0,0,0,0,0|2,0,0]=4 2207 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 7a_100000757397_200025704644 [2,0,0,0,0,0|2,0,0]=4 2208 B10R1.30 [13CH3]Oc1cc(ccc1F)F 34a_100000752141_200025704644 [2,0,0,0,0,0|2,0,0]=4 2209 B10R1.30 [13CH3]Oc1cc(ccc1F)F 7a_100000752141_200025704644 [2,0,0,0,0,0|2,0,0]=4 2210 B10R1.30 [13CH3]Oc1cc(ccc1F)I 34a_100009958187_200025704644 [2,0,0,0,0,0|2,0,0]=4 2211 B10R1.30 [13CH3]Oc1cc(ccc1F)I 7a_100009958187_200025704644 [2,0,0,0,0,0|2,0,0]=4 2212 B10R1.30 [13CH3]Oc1cc(ccc1F)N 34a_100012017398_200025704644 [2,0,0,0,0,0|2,0,0]=4 2213 B10R1.30 [13CH3]Oc1cc(ccc1F)N 7a_100012017398_200025704644 [2,0,0,0,0,0|2,0,0]=4 2214 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 34a_100012344904_200025704644 [2,0,0,0,0,0|2,0,0]=4 2215 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 7a_100012344904_200025704644 [2,0,0,0,0,0|2,0,0]=4 2216 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 34a_100000050036_200025704644 [2,0,0,0,0,0|2,0,0]=4 2217 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 7a_100000050036_200025704644 [2,0,0,0,0,0|2,0,0]=4 2218 B10R1.30 [13CH3]Oc1cc(ccc1I)F 34a_100010084537_200025704644 [2,0,0,0,0,0|2,0,0]=4 2219 B10R1.30 [13CH3]Oc1cc(ccc1I)F 7a_100010084537_200025704644 [2,0,0,0,0,0|2,0,0]=4 2220 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 34a_100000739049_200025704644 [2,0,0,0,0,0|2,0,0]=4 2221 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 7a_100000739049_200025704644 [2,0,0,0,0,0|2,0,0]=4 2222 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 34a_100000185728_200025704644 [2,0,0,0,0,0|2,0,0]=4 2223 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 7a_100000185728_200025704644 [2,0,0,0,0,0|2,0,0]=4 2224 B10R1.30 [13CH3]Oc1cc(ccc1N)F 34a_100000753323_200025704644 [2,0,0,0,0,0|2,0,0]=4 2225 B10R1.30 [13CH3]Oc1cc(ccc1N)F 7a_100000753323_200025704644 [2,0,0,0,0,0|2,0,0]=4 2226 B10R1.30 [13CH3]Oc1cc(ccc1N)I 34a_100000057187_200025704644 [2,0,0,0,0,0|2,0,0]=4 2227 B10R1.30 [13CH3]Oc1cc(ccc1N)I 7a_100000057187_200025704644 [2,0,0,0,0,0|2,0,0]=4 2228 B10R1.30 [13CH3]Oc1cc(ccc1N)N 34a_100025717382_200025704644 [2,0,0,0,0,0|2,0,0]=4 2229 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_100012355227_200025704644 [2,0,0,0,0,0|1,1,0]=4 2230 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_200025704644_100012355227 [2,0,0,0,0,0|1,1,0]=4 2231 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [2,0,0,0,0,0|1,1,0]=4 2232 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [2,0,0,0,0,0|1,1,0]=4 2233 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_100000211999_200025704644 [2,0,0,0,0,0|1,1,0]=4 2234 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_200025704644_100000211999 [2,0,0,0,0,0|1,1,0]=4 2235 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [2,0,0,0,0,0|1,1,0]=4 2236 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [2,0,0,0,0,0|1,1,0]=4 2237 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [2,0,0,0,0,0|1,1,0]=4 2238 B12R1.41 C=C=Cc1cc(cc(c1)OC)Br 271570a_100015277604_100010141301 [1,1,0,0,0,0|0,0,2]=4 2239 B12R1.41 C=C=Cc1cc(cc(c1)OC)C 271570a_100015277604_100010187550 [1,1,0,0,0,0|0,0,2]=4 2240 B12R1.41 C=C=Cc1cc(cc(c1)OC)Cl 271570a_100015277604_100010147680 [1,1,0,0,0,0|0,0,2]=4 2241 B12R1.41 C=C=Cc1cc(cc(c1)OC)F 271570a_100015277604_100011934182 [1,1,0,0,0,0|0,0,2]=4 2242 B12R1.41 C=C=Cc1cc(cc(c1)OC)N 271570a_100015277604_100000750983 [1,1,0,0,0,0|0,0,2]=4 2243 B12R1.41 C=C=Cc1cc(cc(c1)OC)O 271570a_100015277604_100010068927 [1,1,0,0,0,0|0,0,2]=4 2244 B12R1.41 CC=Cc1cc(cc(c1)OC)Br 271570a_100016259895_100010141301 [1,1,0,0,0,0|0,0,2]=4 2245 B12R1.41 CC=Cc1cc(cc(c1)OC)C 271570a_100016259895_100010187550 [1,1,0,0,0,0|0,0,2]=4 2246 B12R1.41 CC=Cc1cc(cc(c1)OC)Cl 271570a_100016259895_100010147680 [1,1,0,0,0,0|0,0,2]=4 2247 B12R1.41 CC=Cc1cc(cc(c1)OC)F 271570a_100016259895_100011934182 [1,1,0,0,0,0|0,0,2]=4 2248 B12R1.41 CC=Cc1cc(cc(c1)OC)N 271570a_100016259895_100000750983 [1,1,0,0,0,0|0,0,2]=4 2249 B12R1.41 CC=Cc1cc(cc(c1)OC)O 271570a_100016259895_100010068927 [1,1,0,0,0,0|0,0,2]=4 2250 B12R1.41 CNCc1cc(cc(c1)OC)Br 207a_100102657272_100009816777 [1,1,0,0,0,0|1,0,1]=4 2251 B12R1.41 CNCc1cc(cc(c1)OC)Br 2230a_106832991635_100010162483 [1,1,0,0,0,0|1,0,1]=4 2252 B12R1.41 CNCc1cc(cc(c1)OC)Br 269862a_106832991636_100009816777 [1,1,0,0,0,0|1,0,1]=4 2253 B12R1.41 CNCc1cc(cc(c1)OC)Br 26a_100102657272_100010068927 [1,1,0,0,0,0|1,0,1]=4 2254 B12R1.41 CNCc1cc(cc(c1)OC)Br 270004a_106832991635_100009816777 [1,1,0,0,0,0|1,0,1]=4 2255 B12R1.41 CNCc1cc(cc(c1)OC)Br 34a_100102657272_100010162483 [1,1,0,0,0,0|1,0,1]=4 2256 B12R1.41 CNCc1cc(cc(c1)OC)Br 7a_106832991635_100010162483 [1,1,0,0,0,0|1,0,1]=4 2257 B12R1.41 CNCc1cc(cc(c1)OC)C 207a_100102657272_100000101404 [1,1,0,0,0,0|1,0,1]=4 2258 B12R1.41 CNCc1cc(cc(c1)OC)C 270004a_106832991635_100000101404 [1,1,0,0,0,0|1,0,1]=4 2259 B12R1.41 CNCc1cc(cc(c1)OC)Cl 207a_100102657272_100000087488 [1,1,0,0,0,0|1,0,1]=4 2260 B12R1.41 CNCc1cc(cc(c1)OC)Cl 2230a_106744500063_200000210301 [1,1,0,0,0,0|1,0,1]=4 2261 B12R1.41 CNCc1cc(cc(c1)OC)Cl 2230a_106832991635_100010188059 [1,1,0,0,0,0|1,0,1]=4 2262 B12R1.41 CNCc1cc(cc(c1)OC)Cl 26a_100102657272_100000051430 [1,1,0,0,0,0|1,0,1]=4 2263 B12R1.41 CNCc1cc(cc(c1)OC)Cl 270004a_106832991635_100000087488 [1,1,0,0,0,0|1,0,1]=4 2264 B12R1.41 CNCc1cc(cc(c1)OC)Cl 34a_100102657272_100010188059 [1,1,0,0,0,0|1,0,1]=4 2265 B12R1.41 CNCc1cc(cc(c1)OC)Cl 34a_106744500063_200000210301 [1,1,0,0,0,0|1,0,1]=4 2266 B12R1.41 CNCc1cc(cc(c1)OC)Cl 7a_106832991635_100010188059 [1,1,0,0,0,0|1,0,1]=4 2267 B12R1.41 CNCc1cc(cc(c1)OC)F 207a_100102657272_100011934815 [1,1,0,0,0,0|1,0,1]=4 2268 B12R1.41 CNCc1cc(cc(c1)OC)F 2230a_100000696013_200000210301 [1,1,0,0,0,0|1,0,1]=4 2269 B12R1.41 CNCc1cc(cc(c1)OC)F 2230a_106832991635_100011934817 [1,1,0,0,0,0|1,0,1]=4 2270 B12R1.41 CNCc1cc(cc(c1)OC)F 270004a_106832991635_100011934815 [1,1,0,0,0,0|1,0,1]=4 2271 B12R1.41 CNCc1cc(cc(c1)OC)F 34a_100000696013_200000210301 [1,1,0,0,0,0|1,0,1]=4 2272 B12R1.41 CNCc1cc(cc(c1)OC)F 34a_100102657272_100011934817 [1,1,0,0,0,0|1,0,1]=4 2273 B12R1.41 CNCc1cc(cc(c1)OC)F 7a_106832991635_100011934817 [1,1,0,0,0,0|1,0,1]=4 2274 B12R1.41 CNCc1cc(cc(c1)OC)O 207a_100102657272_100009856911 [1,1,0,0,0,0|1,0,1]=4 2275 B12R1.41 CNCc1cc(cc(c1)OC)O 270004a_106832991635_100009856911 [1,1,0,0,0,0|1,0,1]=4 2276 B12R1.41 COCc1cc(cc(c1)OC)Br 34a_100009995317_200000210301 [1,1,0,0,0,0|1,0,1]=4 2277 B12R1.41 COCc1cc(cc(c1)OC)Br 34a_100138415774_100010162483 [1,1,0,0,0,0|1,0,1]=4 2278 B12R1.41 COCc1cc(cc(c1)OC)Br 7a_100009995317_200000210301 [1,1,0,0,0,0|1,0,1]=4 2279 B12R1.41 COCc1cc(cc(c1)OC)C 34a_100009863105_200000210301 [1,1,0,0,0,0|1,0,1]=4 2280 B12R1.41 COCc1cc(cc(c1)OC)C 7a_100009863105_200000210301 [1,1,0,0,0,0|1,0,1]=4 2281 B12R1.41 COCc1cc(cc(c1)OC)Cl 34a_100000087487_200000210301 [1,1,0,0,0,0|1,0,1]=4 2282 B12R1.41 COCc1cc(cc(c1)OC)Cl 34a_100138415774_100010188059 [1,1,0,0,0,0|1,0,1]=4 2283 B12R1.41 COCc1cc(cc(c1)OC)Cl 7a_100000087487_200000210301 [1,1,0,0,0,0|1,0,1]=4 2284 B12R1.41 COCc1cc(cc(c1)OC)F 34a_100011934816_200000210301 [1,1,0,0,0,0|1,0,1]=4 2285 B12R1.41 COCc1cc(cc(c1)OC)F 34a_100138415774_100011934817 [1,1,0,0,0,0|1,0,1]=4 2286 B12R1.41 COCc1cc(cc(c1)OC)F 7a_100011934816_200000210301 [1,1,0,0,0,0|1,0,1]=4 2287 B12R1.41 COCc1cc(cc(c1)OC)N 34a_100012182899_200000210301 [1,1,0,0,0,0|1,0,1]=4 2288 B12R1.41 COc1cc(cc(c1)CC#N)O 271570a_203496583355_100010146821 [1,1,0,0,0,0|1,0,1]=4 2289 B12R1.41 COc1cc(cc(c1)CN[13CH3])Cl 2230a_106744500063_200025704644 [1,1,0,0,0,0|1,0,1]=4 2290 B12R1.41 COc1cc(cc(c1)CN[13CH3])Cl 34a_106744500063_200025704644 [1,1,0,0,0,0|1,0,1]=4 2291 B12R1.41 COc1cc(cc(c1)CN[13CH3])F 2230a_100000696013_200025704644 [1,1,0,0,0,0|1,0,1]=4 2292 B12R1.41 COc1cc(cc(c1)CN[13CH3])F 34a_100000696013_200025704644 [1,1,0,0,0,0|1,0,1]=4 2293 B12R1.41 COc1cc(cc(c1)CO[13CH3])Br 34a_100009995317_200025704644 [1,1,0,0,0,0|1,0,1]=4 2294 B12R1.41 COc1cc(cc(c1)CO[13CH3])Br 7a_100009995317_200025704644 [1,1,0,0,0,0|1,0,1]=4 2295 B12R1.41 COc1cc(cc(c1)CO[13CH3])C 34a_100009863105_200025704644 [1,1,0,0,0,0|1,0,1]=4 2296 B12R1.41 COc1cc(cc(c1)CO[13CH3])C 7a_100009863105_200025704644 [1,1,0,0,0,0|1,0,1]=4 2297 B12R1.41 COc1cc(cc(c1)CO[13CH3])Cl 34a_100000087487_200025704644 [1,1,0,0,0,0|1,0,1]=4 2298 B12R1.41 COc1cc(cc(c1)CO[13CH3])Cl 7a_100000087487_200025704644 [1,1,0,0,0,0|1,0,1]=4 2299 B12R1.41 COc1cc(cc(c1)CO[13CH3])F 34a_100011934816_200025704644 [1,1,0,0,0,0|1,0,1]=4 2300 B12R1.41 COc1cc(cc(c1)CO[13CH3])F 7a_100011934816_200025704644 [1,1,0,0,0,0|1,0,1]=4 2301 B12R1.41 COc1cc(cc(c1)CO[13CH3])N 34a_100012182899_200025704644 [1,1,0,0,0,0|1,0,1]=4 2302 B12R1.41 COc1cc(cc(c1)CSC)Br 62a_100010162483_200000210301 [1,1,0,0,0,0|1,0,1]=4 2303 B12R1.41 COc1cc(cc(c1)CSC)Br 62a_200000210301_100010162483 [1,1,0,0,0,0|1,0,1]=4 2304 B12R1.41 COc1cc(cc(c1)CSC)Cl 62a_100010188059_200000210301 [1,1,0,0,0,0|1,0,1]=4 2305 B12R1.41 COc1cc(cc(c1)CSC)Cl 62a_200000210301_100010188059 [1,1,0,0,0,0|1,0,1]=4 2306 B12R1.41 COc1cc(cc(c1)CSC)F 62a_100011934817_200000210301 [1,1,0,0,0,0|1,0,1]=4 2307 B12R1.41 COc1cc(cc(c1)CSC)F 62a_200000210301_100011934817 [1,1,0,0,0,0|1,0,1]=4 2308 B12R1.41 COc1cc(cc(c1)CS[13CH3])Br 62a_100010162483_200025704644 [1,1,0,0,0,0|1,0,1]=4 2309 B12R1.41 COc1cc(cc(c1)CS[13CH3])Br 62a_200025704644_100010162483 [1,1,0,0,0,0|1,0,1]=4 2310 B12R1.41 COc1cc(cc(c1)CS[13CH3])Cl 62a_100010188059_200025704644 [1,1,0,0,0,0|1,0,1]=4 2311 B12R1.41 COc1cc(cc(c1)CS[13CH3])Cl 62a_200025704644_100010188059 [1,1,0,0,0,0|1,0,1]=4 2312 B12R1.41 COc1cc(cc(c1)CS[13CH3])F 62a_100011934817_200025704644 [1,1,0,0,0,0|1,0,1]=4 2313 B12R1.41 COc1cc(cc(c1)CS[13CH3])F 62a_200025704644_100011934817 [1,1,0,0,0,0|1,0,1]=4 2314 B12R1.270 C=C=Cc1cc(ccc1Br)OC 271570a_100015277604_100009992028 [1,1,0,0,0,0|0,0,2]=4 2315 B12R1.270 C=C=Cc1cc(ccc1C)OC 271570a_100015277604_100012349166 [1,1,0,0,0,0|0,0,2]=4 2316 B12R1.270 C=C=Cc1cc(ccc1Cl)OC 271570a_100015277604_100011356938 [1,1,0,0,0,0|0,0,2]=4 2317 B12R1.270 C=C=Cc1cc(ccc1F)OC 271570a_100015277604_100000699733 [1,1,0,0,0,0|0,0,2]=4 2318 B12R1.270 C=C=Cc1cc(ccc1N)OC 271570a_100015277604_100015195136 [1,1,0,0,0,0|0,0,2]=4 2319 B12R1.270 C=C=Cc1cc(ccc1O)OC 271570a_100015277604_100000685887 [1,1,0,0,0,0|0,0,2]=4 2320 B12R1.270 CC=Cc1cc(ccc1Br)OC 271570a_100016259895_100009992028 [1,1,0,0,0,0|0,0,2]=4 2321 B12R1.270 CC=Cc1cc(ccc1C)OC 271570a_100016259895_100012349166 [1,1,0,0,0,0|0,0,2]=4 2322 B12R1.270 CC=Cc1cc(ccc1Cl)OC 271570a_100016259895_100011356938 [1,1,0,0,0,0|0,0,2]=4 2323 B12R1.270 CC=Cc1cc(ccc1F)OC 271570a_100016259895_100000699733 [1,1,0,0,0,0|0,0,2]=4 2324 B12R1.270 CC=Cc1cc(ccc1N)OC 271570a_100016259895_100015195136 [1,1,0,0,0,0|0,0,2]=4 2325 B12R1.270 CC=Cc1cc(ccc1O)OC 271570a_100016259895_100000685887 [1,1,0,0,0,0|0,0,2]=4 2326 B12R1.270 CNCc1cc(ccc1Br)OC 207a_100102657272_100000691568 [1,1,0,0,0,0|1,0,1]=4 2327 B12R1.270 CNCc1cc(ccc1Br)OC 2230a_100000741592_200000210301 [1,1,0,0,0,0|1,0,1]=4 2328 B12R1.270 CNCc1cc(ccc1Br)OC 2230a_106832991635_100000761528 [1,1,0,0,0,0|1,0,1]=4 2329 B12R1.270 CNCc1cc(ccc1Br)OC 26a_100102657272_100000719091 [1,1,0,0,0,0|1,0,1]=4 2330 B12R1.270 CNCc1cc(ccc1Br)OC 270004a_106832991635_100000691568 [1,1,0,0,0,0|1,0,1]=4 2331 B12R1.270 CNCc1cc(ccc1Br)OC 34a_100000741592_200000210301 [1,1,0,0,0,0|1,0,1]=4 2332 B12R1.270 CNCc1cc(ccc1Br)OC 34a_100102657272_100000761528 [1,1,0,0,0,0|1,0,1]=4 2333 B12R1.270 CNCc1cc(ccc1Br)OC 7a_106832991635_100000761528 [1,1,0,0,0,0|1,0,1]=4 2334 B12R1.270 CNCc1cc(ccc1C)OC 207a_100102657272_100012017359 [1,1,0,0,0,0|1,0,1]=4 2335 B12R1.270 CNCc1cc(ccc1C)OC 270004a_106832991635_100012017359 [1,1,0,0,0,0|1,0,1]=4 2336 B12R1.270 CNCc1cc(ccc1C)OC 34a_100012180165_200000210301 [1,1,0,0,0,0|1,0,1]=4 2337 B12R1.270 CNCc1cc(ccc1Cl)OC 207a_100102657272_100000117592 [1,1,0,0,0,0|1,0,1]=4 2338 B12R1.270 CNCc1cc(ccc1Cl)OC 2230a_106832991635_100000718613 [1,1,0,0,0,0|1,0,1]=4 2339 B12R1.270 CNCc1cc(ccc1Cl)OC 26a_100102657272_100011516019 [1,1,0,0,0,0|1,0,1]=4 2340 B12R1.270 CNCc1cc(ccc1Cl)OC 270004a_106832991635_100000117592 [1,1,0,0,0,0|1,0,1]=4 2341 B12R1.270 CNCc1cc(ccc1Cl)OC 34a_100102657272_100000718613 [1,1,0,0,0,0|1,0,1]=4 2342 B12R1.270 CNCc1cc(ccc1Cl)OC 7a_106832991635_100000718613 [1,1,0,0,0,0|1,0,1]=4 2343 B12R1.270 CNCc1cc(ccc1F)OC 207a_100102657272_100000034340 [1,1,0,0,0,0|1,0,1]=4 2344 B12R1.270 CNCc1cc(ccc1F)OC 2230a_106832991635_100010243555 [1,1,0,0,0,0|1,0,1]=4 2345 B12R1.270 CNCc1cc(ccc1F)OC 270004a_106832991635_100000034340 [1,1,0,0,0,0|1,0,1]=4 2346 B12R1.270 CNCc1cc(ccc1F)OC 34a_100016995475_200000210301 [1,1,0,0,0,0|1,0,1]=4 2347 B12R1.270 CNCc1cc(ccc1F)OC 34a_100102657272_100010243555 [1,1,0,0,0,0|1,0,1]=4 2348 B12R1.270 CNCc1cc(ccc1F)OC 7a_106832991635_100010243555 [1,1,0,0,0,0|1,0,1]=4 2349 B12R1.270 CNCc1cc(ccc1I)OC 207a_100102657272_100010075557 [1,1,0,0,0,0|1,0,1]=4 2350 B12R1.270 CNCc1cc(ccc1I)OC 270004a_106832991635_100010075557 [1,1,0,0,0,0|1,0,1]=4 2351 B12R1.270 COCc1cc(ccc1Br)OC 34a_100138415774_100000761528 [1,1,0,0,0,0|1,0,1]=4 2352 B12R1.270 COCc1cc(ccc1Br)OC 34a_200011273942_200000210301 [1,1,0,0,0,0|1,0,1]=4 2353 B12R1.270 COCc1cc(ccc1Br)OC 7a_200011273942_200000210301 [1,1,0,0,0,0|1,0,1]=4 2354 B12R1.270 COCc1cc(ccc1C)OC 34a_100009841904_200000210301 [1,1,0,0,0,0|1,0,1]=4 2355 B12R1.270 COCc1cc(ccc1C)OC 7a_100009841904_200000210301 [1,1,0,0,0,0|1,0,1]=4 2356 B12R1.270 COCc1cc(ccc1Cl)OC 34a_100138415774_100000718613 [1,1,0,0,0,0|1,0,1]=4 2357 B12R1.270 COCc1cc(ccc1F)OC 34a_100000067870_200000210301 [1,1,0,0,0,0|1,0,1]=4 2358 B12R1.270 COCc1cc(ccc1F)OC 34a_100138415774_100010243555 [1,1,0,0,0,0|1,0,1]=4 2359 B12R1.270 COCc1cc(ccc1F)OC 7a_100000067870_200000210301 [1,1,0,0,0,0|1,0,1]=4 2360 B12R1.270 COCc1cc(ccc1N)OC 34a_100012001277_200000210301 [1,1,0,0,0,0|1,0,1]=4 2361 B12R1.270 COc1ccc(c(c1)CC#N)O 271570a_203496583355_100012259381 [1,1,0,0,0,0|1,0,1]=4 2362 B12R1.270 COc1ccc(c(c1)CCO)O 271570a_203496583355_100012259501 [1,1,0,0,0,0|1,0,1]=4 2363 B12R1.270 COc1ccc(c(c1)CN[13CH3])Br 2230a_100000741592_200025704644 [1,1,0,0,0,0|1,0,1]=4 2364 B12R1.270 COc1ccc(c(c1)CN[13CH3])Br 34a_100000741592_200025704644 [1,1,0,0,0,0|1,0,1]=4 2365 B12R1.270 COc1ccc(c(c1)CN[13CH3])C 34a_100012180165_200025704644 [1,1,0,0,0,0|1,0,1]=4 2366 B12R1.270 COc1ccc(c(c1)CN[13CH3])F 34a_100016995475_200025704644 [1,1,0,0,0,0|1,0,1]=4 2367 B12R1.270 COc1ccc(c(c1)CO[13CH3])Br 34a_200011273942_200025704644 [1,1,0,0,0,0|1,0,1]=4 2368 B12R1.270 COc1ccc(c(c1)CO[13CH3])Br 7a_200011273942_200025704644 [1,1,0,0,0,0|1,0,1]=4 2369 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 34a_100009841904_200025704644 [1,1,0,0,0,0|1,0,1]=4 2370 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 7a_100009841904_200025704644 [1,1,0,0,0,0|1,0,1]=4 2371 B12R1.270 COc1ccc(c(c1)CO[13CH3])F 34a_100000067870_200025704644 [1,1,0,0,0,0|1,0,1]=4 2372 B12R1.270 COc1ccc(c(c1)CO[13CH3])F 7a_100000067870_200025704644 [1,1,0,0,0,0|1,0,1]=4 2373 B12R1.270 COc1ccc(c(c1)CO[13CH3])N 34a_100012001277_200025704644 [1,1,0,0,0,0|1,0,1]=4 2374 B12R1.270 COc1ccc(c(c1)CSC)Br 62a_100000761528_200000210301 [1,1,0,0,0,0|1,0,1]=4 2375 B12R1.270 COc1ccc(c(c1)CSC)Br 62a_200000210301_100000761528 [1,1,0,0,0,0|1,0,1]=4 2376 B12R1.270 COc1ccc(c(c1)CSC)Cl 62a_100000718613_200000210301 [1,1,0,0,0,0|1,0,1]=4 2377 B12R1.270 COc1ccc(c(c1)CSC)Cl 62a_200000210301_100000718613 [1,1,0,0,0,0|1,0,1]=4 2378 B12R1.270 COc1ccc(c(c1)CSC)F 62a_100010243555_200000210301 [1,1,0,0,0,0|1,0,1]=4 2379 B12R1.270 COc1ccc(c(c1)CSC)F 62a_200000210301_100010243555 [1,1,0,0,0,0|1,0,1]=4 2380 B12R1.270 COc1ccc(c(c1)CS[13CH3])Br 62a_100000761528_200025704644 [1,1,0,0,0,0|1,0,1]=4 2381 B12R1.270 COc1ccc(c(c1)CS[13CH3])Br 62a_200025704644_100000761528 [1,1,0,0,0,0|1,0,1]=4 2382 B12R1.270 COc1ccc(c(c1)CS[13CH3])Cl 62a_100000718613_200025704644 [1,1,0,0,0,0|1,0,1]=4 2383 B12R1.270 COc1ccc(c(c1)CS[13CH3])Cl 62a_200025704644_100000718613 [1,1,0,0,0,0|1,0,1]=4 2384 B12R1.270 COc1ccc(c(c1)CS[13CH3])F 62a_100010243555_200025704644 [1,1,0,0,0,0|1,0,1]=4 2385 B12R1.270 COc1ccc(c(c1)CS[13CH3])F 62a_200025704644_100010243555 [1,1,0,0,0,0|1,0,1]=4 2386 B12R1.278 C=C=Cc1cccc(c1)CC=C 271570a_100015277604_100009816576 [1,1,0,0,0,0|1,0,1]=4 2387 B12R1.278 C=C=Cc1cccc(c1)COC 271570a_100015277604_100011493687 [1,1,0,0,0,0|0,0,2]=4 2388 B12R1.278 C=C=Cc1cccc(c1)OCC 271570a_100015277604_100000170002 [1,1,0,0,0,0|0,0,2]=4 2389 B12R1.278 C=CCc1cccc(c1)C=CC 271570a_100016259895_100009816576 [1,1,0,0,0,0|1,0,0]=3 2390 B12R1.278 C=CCc1cccc(c1)SCC 62a_100000210202_100009816576 [1,1,0,0,0,0|0,1,0]=3 2391 B12R1.278 C=CCc1cccc(c1)SCC 62a_100009816576_100000210202 [1,1,0,0,0,0|0,1,0]=3 2392 B12R1.278 C=CCc1cccc(c1)SCF 62a_100009816576_100015361967 [1,1,0,0,0,0|0,1,0]=3 2393 B12R1.278 C=CCc1cccc(c1)SCF 62a_100015361967_100009816576 [1,1,0,0,0,0|0,1,0]=3 2394 B12R1.278 CC=Cc1cccc(c1)CC=O 271570a_100016259895_200000698211 [1,1,0,0,0,0|2,0,0]=4 2395 B12R1.278 CC=Cc1cccc(c1)COC 271570a_100016259895_100011493687 [1,1,0,0,0,0|0,0,2]=4 2396 B12R1.278 CC=Cc1cccc(c1)OCC 271570a_100016259895_100000170002 [1,1,0,0,0,0|0,0,2]=4 2397 B12R1.278 CCCc1cccc(c1)OCC 34a_100000039106_100000210202 [1,1,0,0,0,0|0,0,2]=4 2398 B12R1.278 CCCc1cccc(c1)OCC 7a_100000039106_100000210202 [1,1,0,0,0,0|0,0,2]=4 2399 B12R1.278 CCCc1cccc(c1)OCF 34a_100000039106_100015361967 [1,1,0,0,0,0|0,0,2]=4 2400 B12R1.278 CCCc1cccc(c1)OCF 7a_100000039106_100015361967 [1,1,0,0,0,0|0,0,2]=4 2401 B12R1.278 CCOc1cccc(c1)CC#N 7a_100000696680_100000210202 [1,1,0,0,0,0|1,0,1]=4 2402 B12R1.278 CCOc1cccc(c1)CCN 34a_100000747277_100000210202 [1,1,0,0,0,0|1,0,1]=4 2403 B12R1.278 CCOc1cccc(c1)CCO 34a_100011215281_100000210202 [1,1,0,0,0,0|1,0,1]=4 2404 B12R1.278 CCOc1cccc(c1)CCO 7a_100011215281_100000210202 [1,1,0,0,0,0|1,0,1]=4 2405 B12R1.278 CCOc1cccc(c1)CNC 207a_100102657272_100000170239 [1,1,0,0,0,0|1,0,1]=4 2406 B12R1.278 CCOc1cccc(c1)CNC 2230a_106359896916_200000210301 [1,1,0,0,0,0|1,0,1]=4 2407 B12R1.278 CCOc1cccc(c1)CNC 270004a_106832991635_100000170239 [1,1,0,0,0,0|1,0,1]=4 2408 B12R1.278 CCOc1cccc(c1)CNC 34a_100000207540_100000210202 [1,1,0,0,0,0|1,0,1]=4 2409 B12R1.278 CCOc1cccc(c1)CNC 34a_106359896916_200000210301 [1,1,0,0,0,0|1,0,1]=4 2410 B12R1.278 CCOc1cccc(c1)CNN 34a_100000008902_100000210202 [1,1,0,0,0,0|2,0,0]=4 2411 B12R1.278 CCOc1cccc(c1)CN[13CH3] 2230a_106359896916_200025704644 [1,1,0,0,0,0|1,0,1]=4 2412 B12R1.278 CCOc1cccc(c1)CN[13CH3] 34a_106359896916_200025704644 [1,1,0,0,0,0|1,0,1]=4 2413 B12R1.278 CCOc1cccc(c1)COC 34a_200011232711_200000210301 [1,1,0,0,0,0|1,0,1]=4 2414 B12R1.278 CCOc1cccc(c1)COC 7a_200011232711_200000210301 [1,1,0,0,0,0|1,0,1]=4 2415 B12R1.278 CCOc1cccc(c1)CO[13CH3] 34a_200011232711_200025704644 [1,1,0,0,0,0|1,0,1]=4 2416 B12R1.278 CCOc1cccc(c1)CO[13CH3] 7a_200011232711_200025704644 [1,1,0,0,0,0|1,0,1]=4 2417 B12R1.278 CCSc1cccc(c1)CC=O 62a_100000210202_200000698211 [1,1,0,0,0,0|1,1,0]=4 2418 B12R1.278 CCSc1cccc(c1)CC=O 62a_200000698211_100000210202 [1,1,0,0,0,0|1,1,0]=4 2419 B12R1.278 CNCc1cccc(c1)OCF 34a_100000207540_100015361967 [1,1,0,0,0,0|1,0,1]=4 2420 B12R1.278 N#CCc1cccc(c1)OCF 7a_100000696680_100015361967 [1,1,0,0,0,0|1,0,1]=4 2421 B12R1.278 NCCc1cccc(c1)OCF 34a_100000747277_100015361967 [1,1,0,0,0,0|1,0,1]=4 2422 B12R1.278 NNCc1cccc(c1)OCF 34a_100000008902_100015361967 [1,1,0,0,0,0|2,0,0]=4 2423 B12R1.278 O=CCc1cccc(c1)SCF 62a_100015361967_200000698211 [1,1,0,0,0,0|1,1,0]=4 2424 B12R1.278 O=CCc1cccc(c1)SCF 62a_200000698211_100015361967 [1,1,0,0,0,0|1,1,0]=4 2425 B12R1.278 OCCc1cccc(c1)OCF 34a_100011215281_100015361967 [1,1,0,0,0,0|1,0,1]=4 2426 B12R1.278 OCCc1cccc(c1)OCF 7a_100011215281_100015361967 [1,1,0,0,0,0|1,0,1]=4 2427 B12R1.279 C=C(C)c1cccc(c1)CC=O 271570a_100000694244_200000698211 [1,1,0,0,0,0|2,0,0]=4 2428 B12R1.279 C=CCc1cccc(c1)C(=C)C 271570a_100000694244_100009816576 [1,1,0,0,0,0|1,0,0]=3 2429 B12R1.280 C=C=Cc1cccc(c1C)OC 271570a_100015277604_100010002647 [1,1,0,0,0,0|0,0,2]=4 2430 B12R1.280 C=C=Cc1cccc(c1Cl)OC 271570a_100015277604_100010147677 [1,1,0,0,0,0|0,0,2]=4 2431 B12R1.280 C=C=Cc1cccc(c1F)OC 271570a_100015277604_100010185846 [1,1,0,0,0,0|0,0,2]=4 2432 B12R1.280 C=C=Cc1cccc(c1N)OC 271570a_100015277604_100000708083 [1,1,0,0,0,0|0,0,2]=4 2433 B12R1.280 C=C=Cc1cccc(c1O)OC 271570a_100015277604_100000686866 [1,1,0,0,0,0|0,0,2]=4 2434 B12R1.280 CC=Cc1cccc(c1C)OC 271570a_100016259895_100010002647 [1,1,0,0,0,0|0,0,2]=4 2435 B12R1.280 CC=Cc1cccc(c1Cl)OC 271570a_100016259895_100010147677 [1,1,0,0,0,0|0,0,2]=4 2436 B12R1.280 CC=Cc1cccc(c1F)OC 271570a_100016259895_100010185846 [1,1,0,0,0,0|0,0,2]=4 2437 B12R1.280 CC=Cc1cccc(c1N)OC 271570a_100016259895_100000708083 [1,1,0,0,0,0|0,0,2]=4 2438 B12R1.280 CC=Cc1cccc(c1O)OC 271570a_100016259895_100000686866 [1,1,0,0,0,0|0,0,2]=4 2439 B12R1.280 CNCc1cccc(c1Br)OC 207a_100102657272_100010209554 [1,1,0,0,0,0|1,0,1]=4 2440 B12R1.280 CNCc1cccc(c1Br)OC 26a_100102657272_100010202623 [1,1,0,0,0,0|1,0,1]=4 2441 B12R1.280 CNCc1cccc(c1Br)OC 270004a_106832991635_100010209554 [1,1,0,0,0,0|1,0,1]=4 2442 B12R1.280 CNCc1cccc(c1C)OC 207a_100102657272_100000101217 [1,1,0,0,0,0|1,0,1]=4 2443 B12R1.280 CNCc1cccc(c1C)OC 2230a_106832991635_100009876938 [1,1,0,0,0,0|1,0,1]=4 2444 B12R1.280 CNCc1cccc(c1C)OC 270004a_106832991635_100000101217 [1,1,0,0,0,0|1,0,1]=4 2445 B12R1.280 CNCc1cccc(c1C)OC 34a_100102657272_100009876938 [1,1,0,0,0,0|1,0,1]=4 2446 B12R1.280 CNCc1cccc(c1C)OC 7a_106832991635_100009876938 [1,1,0,0,0,0|1,0,1]=4 2447 B12R1.280 CNCc1cccc(c1Cl)OC 207a_100102657272_100000068750 [1,1,0,0,0,0|1,0,1]=4 2448 B12R1.280 CNCc1cccc(c1Cl)OC 2230a_106832991635_200010147866 [1,1,0,0,0,0|1,0,1]=4 2449 B12R1.280 CNCc1cccc(c1Cl)OC 26a_100102657272_100000087810 [1,1,0,0,0,0|1,0,1]=4 2450 B12R1.280 CNCc1cccc(c1Cl)OC 270004a_106832991635_100000068750 [1,1,0,0,0,0|1,0,1]=4 2451 B12R1.280 CNCc1cccc(c1Cl)OC 34a_100102657272_200010147866 [1,1,0,0,0,0|1,0,1]=4 2452 B12R1.280 CNCc1cccc(c1Cl)OC 7a_106832991635_200010147866 [1,1,0,0,0,0|1,0,1]=4 2453 B12R1.280 CNCc1cccc(c1F)OC 207a_100102657272_100000692048 [1,1,0,0,0,0|1,0,1]=4 2454 B12R1.280 CNCc1cccc(c1F)OC 2230a_106832991635_100011260763 [1,1,0,0,0,0|1,0,1]=4 2455 B12R1.280 CNCc1cccc(c1F)OC 270004a_106832991635_100000692048 [1,1,0,0,0,0|1,0,1]=4 2456 B12R1.280 CNCc1cccc(c1F)OC 34a_100102657272_100011260763 [1,1,0,0,0,0|1,0,1]=4 2457 B12R1.280 CNCc1cccc(c1F)OC 34a_100137345169_200000210301 [1,1,0,0,0,0|1,0,1]=4 2458 B12R1.280 CNCc1cccc(c1F)OC 7a_106832991635_100011260763 [1,1,0,0,0,0|1,0,1]=4 2459 B12R1.280 COCc1cccc(c1Br)OC 34a_100010146792_200000210301 [1,1,0,0,0,0|1,0,1]=4 2460 B12R1.280 COCc1cccc(c1Br)OC 7a_100010146792_200000210301 [1,1,0,0,0,0|1,0,1]=4 2461 B12R1.280 COCc1cccc(c1C)OC 34a_100009871736_200000210301 [1,1,0,0,0,0|1,0,1]=4 2462 B12R1.280 COCc1cccc(c1C)OC 34a_100138415774_100009876938 [1,1,0,0,0,0|1,0,1]=4 2463 B12R1.280 COCc1cccc(c1C)OC 7a_100009871736_200000210301 [1,1,0,0,0,0|1,0,1]=4 2464 B12R1.280 COCc1cccc(c1Cl)OC 34a_100138415774_200010147866 [1,1,0,0,0,0|1,0,1]=4 2465 B12R1.280 COCc1cccc(c1F)OC 34a_100011935170_200000210301 [1,1,0,0,0,0|1,0,1]=4 2466 B12R1.280 COCc1cccc(c1F)OC 34a_100138415774_100011260763 [1,1,0,0,0,0|1,0,1]=4 2467 B12R1.280 COCc1cccc(c1F)OC 7a_100011935170_200000210301 [1,1,0,0,0,0|1,0,1]=4 2468 B12R1.280 COCc1cccc(c1I)OC 34a_100010236476_200000210301 [1,1,0,0,0,0|1,0,1]=4 2469 B12R1.280 COCc1cccc(c1I)OC 7a_100010236476_200000210301 [1,1,0,0,0,0|1,0,1]=4 2470 B12R1.280 COCc1cccc(c1N)OC 34a_100011999522_200000210301 [1,1,0,0,0,0|1,0,1]=4 2471 B12R1.280 COc1cccc(c1Br)CO[13CH3] 34a_100010146792_200025704644 [1,1,0,0,0,0|1,0,1]=4 2472 B12R1.280 COc1cccc(c1Br)CO[13CH3] 7a_100010146792_200025704644 [1,1,0,0,0,0|1,0,1]=4 2473 B12R1.280 COc1cccc(c1C)CO[13CH3] 34a_100009871736_200025704644 [1,1,0,0,0,0|1,0,1]=4 2474 B12R1.280 COc1cccc(c1C)CO[13CH3] 7a_100009871736_200025704644 [1,1,0,0,0,0|1,0,1]=4 2475 B12R1.280 COc1cccc(c1C)CSC 62a_100009876938_200000210301 [1,1,0,0,0,0|1,0,1]=4 2476 B12R1.280 COc1cccc(c1C)CSC 62a_200000210301_100009876938 [1,1,0,0,0,0|1,0,1]=4 2477 B12R1.280 COc1cccc(c1C)CS[13CH3] 62a_100009876938_200025704644 [1,1,0,0,0,0|1,0,1]=4 2478 B12R1.280 COc1cccc(c1C)CS[13CH3] 62a_200025704644_100009876938 [1,1,0,0,0,0|1,0,1]=4 2479 B12R1.280 COc1cccc(c1Cl)CSC 62a_200000210301_200010147866 [1,1,0,0,0,0|1,0,1]=4 2480 B12R1.280 COc1cccc(c1Cl)CSC 62a_200010147866_200000210301 [1,1,0,0,0,0|1,0,1]=4 2481 B12R1.280 COc1cccc(c1Cl)CS[13CH3] 62a_200010147866_200025704644 [1,1,0,0,0,0|1,0,1]=4 2482 B12R1.280 COc1cccc(c1Cl)CS[13CH3] 62a_200025704644_200010147866 [1,1,0,0,0,0|1,0,1]=4 2483 B12R1.280 COc1cccc(c1F)CN[13CH3] 34a_100137345169_200025704644 [1,1,0,0,0,0|1,0,1]=4 2484 B12R1.280 COc1cccc(c1F)CO[13CH3] 34a_100011935170_200025704644 [1,1,0,0,0,0|1,0,1]=4 2485 B12R1.280 COc1cccc(c1F)CO[13CH3] 7a_100011935170_200025704644 [1,1,0,0,0,0|1,0,1]=4 2486 B12R1.280 COc1cccc(c1F)CSC 62a_100011260763_200000210301 [1,1,0,0,0,0|1,0,1]=4 2487 B12R1.280 COc1cccc(c1F)CSC 62a_200000210301_100011260763 [1,1,0,0,0,0|1,0,1]=4 2488 B12R1.280 COc1cccc(c1F)CS[13CH3] 62a_100011260763_200025704644 [1,1,0,0,0,0|1,0,1]=4 2489 B12R1.280 COc1cccc(c1F)CS[13CH3] 62a_200025704644_100011260763 [1,1,0,0,0,0|1,0,1]=4 2490 B12R1.280 COc1cccc(c1I)CO[13CH3] 34a_100010236476_200025704644 [1,1,0,0,0,0|1,0,1]=4 2491 B12R1.280 COc1cccc(c1I)CO[13CH3] 7a_100010236476_200025704644 [1,1,0,0,0,0|1,0,1]=4 2492 B12R1.280 COc1cccc(c1N)CO[13CH3] 34a_100011999522_200025704644 [1,1,0,0,0,0|1,0,1]=4 2493 B12R1.382 C#CCNc1cccc(c1)OC 34a_100000210024_100000184674 [1,1,0,0,0,0|0,0,2]=4 2494 B12R1.382 C#CCOc1cccc(c1)OC 34a_100000211255_100000184674 [1,1,0,0,0,0|0,0,2]=4 2495 B12R1.382 C#CCOc1cccc(c1)OC 7a_100000211255_100000038162 [1,1,0,0,0,0|0,0,2]=4 2496 B12R1.382 C#CCSc1cccc(c1)OC 62a_100000038162_100000170001 [1,1,0,0,0,0|0,0,2]=4 2497 B12R1.382 C#Cc1cccc(c1)NCC=C 2230a_100000735509_100000210623 [1,1,0,0,0,0|1,0,1]=4 2498 B12R1.382 C#Cc1cccc(c1)NCC=C 34a_100000735509_100015514636 [1,1,0,0,0,0|1,0,1]=4 2499 B12R1.382 C#Cc1cccc(c1)OCC=C 34a_100011216014_100015514636 [1,1,0,0,0,0|1,0,1]=4 2500 B12R1.382 C#Cc1cccc(c1)OCC=C 7a_100011216014_100015514636 [1,1,0,0,0,0|1,0,1]=4 2501 B12R1.382 C=CCNc1cc(ccn1)CC 27a_100020586998_100009817561 [1,1,0,0,0,0|2,0,0]=4 2502 B12R1.382 C=CCNc1cc(ncn1)OC 27a_100020586998_100000049997 [1,1,0,0,0,0|2,0,0]=4 2503 B12R1.382 C=CCNc1cccc(c1)C#N 34a_100000210922_100015514636 [1,1,0,0,0,0|2,0,0]=4 2504 B12R1.382 C=CCNc1cccc(c1)C#N 7a_100000210922_100015514636 [1,1,0,0,0,0|2,0,0]=4 2505 B12R1.382 C=CCNc1cccc(c1)C=C 34a_100011827668_100015514636 [1,1,0,0,0,0|1,0,1]=4 2506 B12R1.382 C=CCNc1cccc(c1)CC 2230a_100000211250_100000210623 [1,1,0,0,0,0|1,0,0]=3 2507 B12R1.382 C=CCNc1cccc(c1)CC 34a_100000211250_100015514636 [1,1,0,0,0,0|1,0,0]=3 2508 B12R1.382 C=CCNc1cccc(c1)CC 7a_100000211250_100015514636 [1,1,0,0,0,0|1,0,0]=3 2509 B12R1.382 C=CCNc1cccc(c1)CF 2230a_100000126320_100000210623 [1,1,0,0,0,0|2,0,0]=4 2510 B12R1.382 C=CCNc1cccc(c1)CF 34a_100000126320_100015514636 [1,1,0,0,0,0|2,0,0]=4 2511 B12R1.382 C=CCNc1cccc(c1)CF 7a_100000126320_100015514636 [1,1,0,0,0,0|2,0,0]=4 2512 B12R1.382 C=CCNc1cccc(c1)CO 2230a_100000211919_100000210623 [1,1,0,0,0,0|2,0,0]=4 2513 B12R1.382 C=CCNc1cccc(c1)CO 34a_100000211919_100015514636 [1,1,0,0,0,0|2,0,0]=4 2514 B12R1.382 C=CCNc1cccc(c1)OC 34a_100000210024_100015514636 [1,1,0,0,0,0|0,0,0]=2 2515 B12R1.382 C=CCNc1cccc(c1)SC 2230a_100000210049_100000210623 [1,1,0,0,0,0|0,1,0]=3 2516 B12R1.382 C=CCNc1cccc(c1)SC 34a_100000210049_100015514636 [1,1,0,0,0,0|0,1,0]=3 2517 B12R1.382 C=CCNc1ccnc(c1)CC 27a_100020586998_100009820011 [1,1,0,0,0,0|2,0,0]=4 2518 B12R1.382 C=CCNc1ccnc(n1)OC 27a_100020586998_100000069072 [1,1,0,0,0,0|2,0,0]=4 2519 B12R1.382 C=CCNc1cncc(n1)OC 27a_100020586998_100009819700 [1,1,0,0,0,0|2,0,0]=4 2520 B12R1.382 C=CCNc1nccc(n1)OC 27a_100020586998_100000182009 [1,1,0,0,0,0|2,0,0]=4 2521 B12R1.382 C=CCOc1ccc[n+](c1)CC 34a_100000731997_100015514636 [1,1,0,0,0,0|2,0,0]=4 2522 B12R1.382 C=CCOc1ccc[n+](c1)CC 7a_100000731997_100015514636 [1,1,0,0,0,0|2,0,0]=4 2523 B12R1.382 C=CCOc1cccc(c1)C#N 34a_100000184713_100015514636 [1,1,0,0,0,0|2,0,0]=4 2524 B12R1.382 C=CCOc1cccc(c1)C#N 7a_100000184713_100015514636 [1,1,0,0,0,0|2,0,0]=4 2525 B12R1.382 C=CCOc1cccc(c1)C=C 34a_100011309434_100015514636 [1,1,0,0,0,0|1,0,1]=4 2526 B12R1.382 C=CCOc1cccc(c1)C=C 7a_100011309434_100015514636 [1,1,0,0,0,0|1,0,1]=4 2527 B12R1.382 C=CCOc1cccc(c1)CBr 34a_100011660834_100015514636 [1,1,0,0,0,0|2,0,0]=4 2528 B12R1.382 C=CCOc1cccc(c1)CBr 7a_100011660834_100015514636 [1,1,0,0,0,0|2,0,0]=4 2529 B12R1.382 C=CCOc1cccc(c1)CC 34a_100000211550_100015514636 [1,1,0,0,0,0|1,0,0]=3 2530 B12R1.382 C=CCOc1cccc(c1)CC 7a_100000211550_100015514636 [1,1,0,0,0,0|1,0,0]=3 2531 B12R1.382 C=CCOc1cccc(c1)CCl 34a_100000084143_100015514636 [1,1,0,0,0,0|2,0,0]=4 2532 B12R1.382 C=CCOc1cccc(c1)CCl 7a_100000084143_100015514636 [1,1,0,0,0,0|2,0,0]=4 2533 B12R1.382 C=CCOc1cccc(c1)CN 34a_100000743036_100015514636 [1,1,0,0,0,0|2,0,0]=4 2534 B12R1.382 C=CCOc1cccc(c1)CO 34a_100011214949_100015514636 [1,1,0,0,0,0|2,0,0]=4 2535 B12R1.382 C=CCOc1cccc(c1)CO 7a_100011214949_100015514636 [1,1,0,0,0,0|2,0,0]=4 2536 B12R1.382 C=CCOc1cccc(c1)NC 34a_100000756613_100015514636 [1,1,0,0,0,0|1,0,0]=3 2537 B12R1.382 C=CCOc1cccc(c1)NC 7a_100000756613_100015514636 [1,1,0,0,0,0|1,0,0]=3 2538 B12R1.382 C=CCOc1cccc(c1)OC 34a_100000211255_100015514636 [1,1,0,0,0,0|0,0,0]=2 2539 B12R1.382 C=CCOc1cccc(c1)OC 7a_100000211255_100015514636 [1,1,0,0,0,0|0,0,0]=2 2540 B12R1.382 C=CCOc1cccc(c1)SC 34a_100011265683_100015514636 [1,1,0,0,0,0|0,1,0]=3 2541 B12R1.382 C=CCOc1cccc(c1)SC 7a_100011265683_100015514636 [1,1,0,0,0,0|0,1,0]=3 2542 B12R1.382 C=CCOc1ccnc(c1)OC 34a_100012181050_100015514636 [1,1,0,0,0,0|1,0,0]=3 2543 B12R1.382 C=CCOc1cncc(c1)CC 34a_200009861530_100015514636 [1,1,0,0,0,0|2,0,0]=4 2544 B12R1.382 C=CCOc1cncc(c1)CC 7a_200009861530_100015514636 [1,1,0,0,0,0|2,0,0]=4 2545 B12R1.382 C=CCOc1cncc(c1)OC 34a_100000084572_100015514636 [1,1,0,0,0,0|1,0,0]=3 2546 B12R1.382 C=CCOc1cncc(c1)OC 7a_100000084572_100015514636 [1,1,0,0,0,0|1,0,0]=3 2547 B12R1.382 C=CCSc1cc(ccn1)CC 62a_100000210623_100009817561 [1,1,0,0,0,0|2,0,0]=4 2548 B12R1.382 C=CCSc1cc(ccn1)CC 62a_100009817561_100000210623 [1,1,0,0,0,0|2,0,0]=4 2549 B12R1.382 C=CCSc1cc(ccn1)NC 62a_100000210623_100009869472 [1,1,0,0,0,0|2,0,0]=4 2550 B12R1.382 C=CCSc1cc(ccn1)NC 62a_100009869472_100000210623 [1,1,0,0,0,0|2,0,0]=4 2551 B12R1.382 C=CCSc1cc(ccn1)OC 62a_100000210623_100011216251 [1,1,0,0,0,0|1,0,0]=3 2552 B12R1.382 C=CCSc1cc(ccn1)OC 62a_100009817693_100000210623 [1,1,0,0,0,0|1,0,0]=3 2553 B12R1.382 C=CCSc1cc(ccn1)SC 62a_100000210623_100010883326 [1,1,0,0,0,0|1,1,0]=4 2554 B12R1.382 C=CCSc1cc(ccn1)SC 62a_100010883326_100000210623 [1,1,0,0,0,0|1,1,0]=4 2555 B12R1.382 C=CCSc1cc(cnn1)OC 62a_100000210623_100000087634 [1,1,0,0,0,0|2,0,0]=4 2556 B12R1.382 C=CCSc1cc(ncn1)OC 62a_100000049997_100000210623 [1,1,0,0,0,0|2,0,0]=4 2557 B12R1.382 C=CCSc1cc(ncn1)OC 62a_100000210623_100000049997 [1,1,0,0,0,0|2,0,0]=4 2558 B12R1.382 C=CCSc1cccc(c1)C#N 62a_100000210623_100000189340 [1,1,0,0,0,0|2,0,0]=4 2559 B12R1.382 C=CCSc1cccc(c1)C=C 62a_100000210623_100011215241 [1,1,0,0,0,0|1,0,1]=4 2560 B12R1.382 C=CCSc1cccc(c1)C=C 62a_100011215241_100000210623 [1,1,0,0,0,0|1,0,1]=4 2561 B12R1.382 C=CCSc1cccc(c1)C=O 62a_100000014684_100000210623 [1,1,0,0,0,0|2,0,0]=4 2562 B12R1.382 C=CCSc1cccc(c1)C=O 62a_100000210623_100000014684 [1,1,0,0,0,0|2,0,0]=4 2563 B12R1.382 C=CCSc1cccc(c1)CC 62a_100000210623_100011263222 [1,1,0,0,0,0|1,0,0]=3 2564 B12R1.382 C=CCSc1cccc(c1)CC 62a_100011263222_100000210623 [1,1,0,0,0,0|1,0,0]=3 2565 B12R1.382 C=CCSc1cccc(c1)CF 62a_100000210623_100010878472 [1,1,0,0,0,0|2,0,0]=4 2566 B12R1.382 C=CCSc1cccc(c1)CF 62a_100010878472_100000210623 [1,1,0,0,0,0|2,0,0]=4 2567 B12R1.382 C=CCSc1cccc(c1)CN 62a_100000106179_100000210623 [1,1,0,0,0,0|2,0,0]=4 2568 B12R1.382 C=CCSc1cccc(c1)CN 62a_100000210623_100000106179 [1,1,0,0,0,0|2,0,0]=4 2569 B12R1.382 C=CCSc1cccc(c1)CO 62a_100000210623_100000687537 [1,1,0,0,0,0|2,0,0]=4 2570 B12R1.382 C=CCSc1cccc(c1)CO 62a_100000687537_100000210623 [1,1,0,0,0,0|2,0,0]=4 2571 B12R1.382 C=CCSc1cccc(c1)NC 62a_100000210623_100000219648 [1,1,0,0,0,0|1,0,0]=3 2572 B12R1.382 C=CCSc1cccc(c1)NC 62a_100000219648_100000210623 [1,1,0,0,0,0|1,0,0]=3 2573 B12R1.382 C=CCSc1cccc(c1)NN 62a_100000210623_100000217339 [1,1,0,0,0,0|2,0,0]=4 2574 B12R1.382 C=CCSc1cccc(c1)NN 62a_100000217339_100000210623 [1,1,0,0,0,0|2,0,0]=4 2575 B12R1.382 C=CCSc1cccc(c1)OC 62a_100000210623_100000170001 [1,1,0,0,0,0|0,0,0]=2 2576 B12R1.382 C=CCSc1cccc(c1)SC 62a_100000210623_100011215954 [1,1,0,0,0,0|0,1,0]=3 2577 B12R1.382 C=CCSc1cccc(c1)SC 62a_100011215954_100000210623 [1,1,0,0,0,0|0,1,0]=3 2578 B12R1.382 C=CCSc1cccc(n1)CC 62a_100000210623_100009856026 [1,1,0,0,0,0|2,0,0]=4 2579 B12R1.382 C=CCSc1cccc(n1)CC 62a_100009856026_100000210623 [1,1,0,0,0,0|2,0,0]=4 2580 B12R1.382 C=CCSc1cccc(n1)NC 62a_100000210623_100000703281 [1,1,0,0,0,0|2,0,0]=4 2581 B12R1.382 C=CCSc1cccc(n1)NC 62a_100000703281_100000210623 [1,1,0,0,0,0|2,0,0]=4 2582 B12R1.382 C=CCSc1cccc(n1)OC 62a_100000210623_100000760917 [1,1,0,0,0,0|1,0,0]=3 2583 B12R1.382 C=CCSc1cccc(n1)OC 62a_100000760917_100000210623 [1,1,0,0,0,0|1,0,0]=3 2584 B12R1.382 C=CCSc1cccc(n1)SC 62a_100000210623_100011960944 [1,1,0,0,0,0|1,1,0]=4 2585 B12R1.382 C=CCSc1cccc(n1)SC 62a_100011960944_100000210623 [1,1,0,0,0,0|1,1,0]=4 2586 B12R1.382 C=CCSc1ccnc(c1)CC 62a_100000210623_100009820011 [1,1,0,0,0,0|2,0,0]=4 2587 B12R1.382 C=CCSc1ccnc(c1)CC 62a_100009820011_100000210623 [1,1,0,0,0,0|2,0,0]=4 2588 B12R1.382 C=CCSc1ccnc(c1)NC 62a_100000210623_100009819592 [1,1,0,0,0,0|2,0,0]=4 2589 B12R1.382 C=CCSc1ccnc(c1)NC 62a_100009819592_100000210623 [1,1,0,0,0,0|2,0,0]=4 2590 B12R1.382 C=CCSc1ccnc(c1)OC 62a_100000117307_100000210623 [1,1,0,0,0,0|1,0,0]=3 2591 B12R1.382 C=CCSc1ccnc(c1)OC 62a_100000210623_100000117307 [1,1,0,0,0,0|1,0,0]=3 2592 B12R1.382 C=CCSc1ccnc(n1)OC 62a_100000069072_100000210623 [1,1,0,0,0,0|2,0,0]=4 2593 B12R1.382 C=CCSc1ccnc(n1)OC 62a_100000210623_100000069072 [1,1,0,0,0,0|2,0,0]=4 2594 B12R1.382 C=CCSc1cncc(c1)CC 62a_100000210623_200009819073 [1,1,0,0,0,0|2,0,0]=4 2595 B12R1.382 C=CCSc1cncc(c1)CC 62a_200009819073_100000210623 [1,1,0,0,0,0|2,0,0]=4 2596 B12R1.382 C=CCSc1cncc(c1)NC 62a_100000210623_100012184536 [1,1,0,0,0,0|2,0,0]=4 2597 B12R1.382 C=CCSc1cncc(c1)NC 62a_100012184536_100000210623 [1,1,0,0,0,0|2,0,0]=4 2598 B12R1.382 C=CCSc1cncc(c1)OC 62a_100000050176_100000210623 [1,1,0,0,0,0|1,0,0]=3 2599 B12R1.382 C=CCSc1cncc(c1)OC 62a_100000210623_100000050176 [1,1,0,0,0,0|1,0,0]=3 2600 B12R1.382 C=CCSc1cncc(c1)SC 62a_100000210623_100009816972 [1,1,0,0,0,0|1,1,0]=4 2601 B12R1.382 C=CCSc1cncc(c1)SC 62a_100009816972_100000210623 [1,1,0,0,0,0|1,1,0]=4 2602 B12R1.382 C=CCSc1cncc(n1)OC 62a_100000210623_100000756030 [1,1,0,0,0,0|2,0,0]=4 2603 B12R1.382 C=CCSc1cncc(n1)OC 62a_100000756030_100000210623 [1,1,0,0,0,0|2,0,0]=4 2604 B12R1.382 C=CCSc1nccc(n1)OC 62a_100000182009_100000210623 [1,1,0,0,0,0|2,0,0]=4 2605 B12R1.382 C=CCSc1nccc(n1)OC 62a_100000210623_100000182009 [1,1,0,0,0,0|2,0,0]=4 2606 B12R1.382 CC=NNc1cccc(c1)OC 4a_100000722927_200000210099 [1,1,0,0,0,0|1,0,1]=4 2607 B12R1.382 CCCCc1cccc(c1)OC 271570a_100020621405_100000170001 [1,1,0,0,0,0|0,0,2]=4 2608 B12R1.382 CCCNc1cccc(c1)OC 34a_100000210024_100000210303 [1,1,0,0,0,0|0,0,2]=4 2609 B12R1.382 CCCOc1cccc(c1)OC 34a_100000211255_100000210303 [1,1,0,0,0,0|0,0,2]=4 2610 B12R1.382 CCCOc1cccc(c1)OC 34a_100000748497_200000210301 [1,1,0,0,0,0|0,0,2]=4 2611 B12R1.382 CCCOc1cccc(c1)OC 7a_100000211255_100000210303 [1,1,0,0,0,0|0,0,2]=4 2612 B12R1.382 CCCOc1cccc(c1)OC 7a_100000748497_200000210301 [1,1,0,0,0,0|0,0,2]=4 2613 B12R1.382 CCCOc1cccc(c1)O[13CH3] 34a_100000748497_200025704644 [1,1,0,0,0,0|0,0,2]=4 2614 B12R1.382 CCCOc1cccc(c1)O[13CH3] 7a_100000748497_200025704644 [1,1,0,0,0,0|0,0,2]=4 2615 B12R1.382 CCCSc1cccc(c1)OC 62a_100000210303_100000170001 [1,1,0,0,0,0|0,0,2]=4 2616 B12R1.382 CCNCc1cccc(c1)OC 207a_100015525214_100000170238 [1,1,0,0,0,0|0,0,2]=4 2617 B12R1.382 CCNCc1cccc(c1)OC 2230a_100000174954_100000210202 [1,1,0,0,0,0|0,0,2]=4 2618 B12R1.382 CCNCc1cccc(c1)OC 2230a_100015525214_100000211672 [1,1,0,0,0,0|0,0,2]=4 2619 B12R1.382 CCNCc1cccc(c1)OC 270004a_100015525214_100000170238 [1,1,0,0,0,0|0,0,2]=4 2620 B12R1.382 CCNCc1cccc(c1)OC 34a_100000174954_100000210202 [1,1,0,0,0,0|0,0,2]=4 2621 B12R1.382 CCNCc1cccc(c1)OC 34a_100000201218_200000210301 [1,1,0,0,0,0|0,0,2]=4 2622 B12R1.382 CCNCc1cccc(c1)O[13CH3] 34a_100000201218_200025704644 [1,1,0,0,0,0|0,0,2]=4 2623 B12R1.382 CCOCc1cccc(c1)OC 34a_100000198976_100000210202 [1,1,0,0,0,0|0,0,2]=4 2624 B12R1.382 CCOCc1cccc(c1)OC 34a_100121572206_100000688526 [1,1,0,0,0,0|0,0,2]=4 2625 B12R1.382 CCSCc1cccc(c1)OC 62a_100000210202_100000211672 [1,1,0,0,0,0|0,0,2]=4 2626 B12R1.382 CCSCc1cccc(c1)OC 62a_100000688526_100000210202 [1,1,0,0,0,0|0,0,2]=4 2627 B12R1.382 CCc1cccc(c1)NCC=O 2230a_100000211250_200015260668 [1,1,0,0,0,0|2,0,0]=4 2628 B12R1.382 CCc1cccc(c1)NCC=O 34a_100000211250_200009817547 [1,1,0,0,0,0|2,0,0]=4 2629 B12R1.382 CCc1cccc(c1)NCC=O 7a_100000211250_200015260668 [1,1,0,0,0,0|2,0,0]=4 2630 B12R1.382 CCc1cccc(c1)OCC=O 34a_100000211550_200009817547 [1,1,0,0,0,0|2,0,0]=4 2631 B12R1.382 CCc1cccc(c1)OCC=O 7a_100000211550_200015260668 [1,1,0,0,0,0|2,0,0]=4 2632 B12R1.382 CCc1cccc(c1)SCC=O 62a_100011263222_200015260668 [1,1,0,0,0,0|2,0,0]=4 2633 B12R1.382 CCc1cccc(c1)SCC=O 62a_200015260668_100011263222 [1,1,0,0,0,0|2,0,0]=4 2634 B12R1.382 CNCCc1cccc(c1)OC 2230a_100000740386_200000210301 [1,1,0,0,0,0|0,0,2]=4 2635 B12R1.382 CNCCc1cccc(c1)OC 2230a_106832991635_100011713679 [1,1,0,0,0,0|0,0,2]=4 2636 B12R1.382 CNCCc1cccc(c1)OC 34a_100000740386_200000210301 [1,1,0,0,0,0|0,0,2]=4 2637 B12R1.382 CNCCc1cccc(c1)OC 34a_100102657272_100011713679 [1,1,0,0,0,0|0,0,2]=4 2638 B12R1.382 CNCCc1cccc(c1)OC 7a_106832991635_100011713679 [1,1,0,0,0,0|0,0,2]=4 2639 B12R1.382 CNc1cccc(c1)OCC=O 34a_100000756613_200009817547 [1,1,0,0,0,0|2,0,0]=4 2640 B12R1.382 CNc1cccc(c1)OCC=O 7a_100000756613_200015260668 [1,1,0,0,0,0|2,0,0]=4 2641 B12R1.382 CNc1cccc(c1)SCC=O 62a_100000219648_200015260668 [1,1,0,0,0,0|2,0,0]=4 2642 B12R1.382 CNc1cccc(c1)SCC=O 62a_200015260668_100000219648 [1,1,0,0,0,0|2,0,0]=4 2643 B12R1.382 COCCc1cccc(c1)OC 34a_100011215300_200000210301 [1,1,0,0,0,0|0,0,2]=4 2644 B12R1.382 COCCc1cccc(c1)OC 34a_100138415774_100011713679 [1,1,0,0,0,0|0,0,2]=4 2645 B12R1.382 COCCc1cccc(c1)OC 7a_100011215300_200000210301 [1,1,0,0,0,0|0,0,2]=4 2646 B12R1.382 COCSc1cccc(c1)OC 62a_100000766300_100000170001 [1,1,0,0,0,0|1,0,1]=4 2647 B12R1.382 COc1cc(ccn1)OCC=O 34a_100012181050_200009817547 [1,1,0,0,0,0|2,0,0]=4 2648 B12R1.382 COc1cc(ccn1)SCC=O 62a_100000117307_200015260668 [1,1,0,0,0,0|2,0,0]=4 2649 B12R1.382 COc1cc(ccn1)SCC=O 62a_200015260668_100000117307 [1,1,0,0,0,0|2,0,0]=4 2650 B12R1.382 COc1cccc(c1)CCCO 34a_200011999501_200000210301 [1,1,0,0,0,0|0,0,2]=4 2651 B12R1.382 COc1cccc(c1)CCCO 7a_200011999501_200000210301 [1,1,0,0,0,0|0,0,2]=4 2652 B12R1.382 COc1cccc(c1)CCN[13CH3] 2230a_100000740386_200025704644 [1,1,0,0,0,0|0,0,2]=4 2653 B12R1.382 COc1cccc(c1)CCN[13CH3] 34a_100000740386_200025704644 [1,1,0,0,0,0|0,0,2]=4 2654 B12R1.382 COc1cccc(c1)CCO[13CH3] 34a_100011215300_200025704644 [1,1,0,0,0,0|0,0,2]=4 2655 B12R1.382 COc1cccc(c1)CCO[13CH3] 7a_100011215300_200025704644 [1,1,0,0,0,0|0,0,2]=4 2656 B12R1.382 COc1cccc(c1)CCSC 62a_100011713679_200000210301 [1,1,0,0,0,0|0,0,2]=4 2657 B12R1.382 COc1cccc(c1)CCSC 62a_200000210301_100011713679 [1,1,0,0,0,0|0,0,2]=4 2658 B12R1.382 COc1cccc(c1)CCS[13CH3] 62a_100011713679_200025704644 [1,1,0,0,0,0|0,0,2]=4 2659 B12R1.382 COc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713679 [1,1,0,0,0,0|0,0,2]=4 2660 B12R1.382 COc1cccc(c1)CNCF 34a_100000174954_100015361967 [1,1,0,0,0,0|1,0,1]=4 2661 B12R1.382 COc1cccc(c1)COCF 34a_100000198976_100015361967 [1,1,0,0,0,0|1,0,1]=4 2662 B12R1.382 COc1cccc(c1)CSCF 62a_100000688526_100015361967 [1,1,0,0,0,0|1,0,1]=4 2663 B12R1.382 COc1cccc(c1)CSCF 62a_100015361967_100000211672 [1,1,0,0,0,0|1,0,1]=4 2664 B12R1.382 COc1cccc(c1)NCC=O 34a_100000210024_200009817547 [1,1,0,0,0,0|1,0,0]=3 2665 B12R1.382 COc1cccc(c1)NCCF 34a_100000210024_100011217306 [1,1,0,0,0,0|1,0,1]=4 2666 B12R1.382 COc1cccc(c1)NCCO 34a_100000210024_100000211926 [1,1,0,0,0,0|1,0,1]=4 2667 B12R1.382 COc1cccc(c1)NCSC 34a_100000210024_100011218213 [1,1,0,0,0,0|1,0,1]=4 2668 B12R1.382 COc1cccc(c1)OCC#N 7a_100000211255_100011215382 [1,1,0,0,0,0|1,0,1]=4 2669 B12R1.382 COc1cccc(c1)OCC=O 34a_100000211255_200009817547 [1,1,0,0,0,0|1,0,0]=3 2670 B12R1.382 COc1cccc(c1)OCC=O 7a_100000211255_200015260668 [1,1,0,0,0,0|1,0,0]=3 2671 B12R1.382 COc1cccc(c1)OCCF 34a_100000211255_100011217306 [1,1,0,0,0,0|1,0,1]=4 2672 B12R1.382 COc1cccc(c1)OCCF 7a_100000211255_100011217306 [1,1,0,0,0,0|1,0,1]=4 2673 B12R1.382 COc1cccc(c1)OCCO 34a_100000211255_100000211926 [1,1,0,0,0,0|1,0,1]=4 2674 B12R1.382 COc1cccc(c1)OCCO 7a_100000211255_100000211926 [1,1,0,0,0,0|1,0,1]=4 2675 B12R1.382 COc1cccc(c1)OCSC 34a_100000211255_100011218213 [1,1,0,0,0,0|1,0,1]=4 2676 B12R1.382 COc1cccc(c1)SCC#N 62a_100011215382_100000170001 [1,1,0,0,0,0|1,0,1]=4 2677 B12R1.382 COc1cccc(c1)SCC=O 62a_200015260668_100000170001 [1,1,0,0,0,0|1,0,0]=3 2678 B12R1.382 COc1cccc(c1)SCCF 62a_100011217306_100000170001 [1,1,0,0,0,0|1,0,1]=4 2679 B12R1.382 COc1cccc(c1)SCCO 62a_100000211926_100000170001 [1,1,0,0,0,0|1,0,1]=4 2680 B12R1.382 COc1cccc(c1)SCSC 62a_100011218213_100000170001 [1,1,0,0,0,0|1,0,1]=4 2681 B12R1.382 COc1cccc(n1)SCC=O 62a_100000760917_200015260668 [1,1,0,0,0,0|2,0,0]=4 2682 B12R1.382 COc1cccc(n1)SCC=O 62a_200015260668_100000760917 [1,1,0,0,0,0|2,0,0]=4 2683 B12R1.382 COc1ccnc(c1)SCC=O 62a_100009817693_200015260668 [1,1,0,0,0,0|2,0,0]=4 2684 B12R1.382 COc1ccnc(c1)SCC=O 62a_200015260668_100011216251 [1,1,0,0,0,0|2,0,0]=4 2685 B12R1.382 COc1cncc(c1)OCC=O 34a_100000084572_200009817547 [1,1,0,0,0,0|2,0,0]=4 2686 B12R1.382 COc1cncc(c1)OCC=O 7a_100000084572_200015260668 [1,1,0,0,0,0|2,0,0]=4 2687 B12R1.382 COc1cncc(c1)SCC=O 62a_100000050176_200015260668 [1,1,0,0,0,0|2,0,0]=4 2688 B12R1.382 COc1cncc(c1)SCC=O 62a_200015260668_100000050176 [1,1,0,0,0,0|2,0,0]=4 2689 B12R1.382 CSc1cccc(c1)NCC=O 2230a_100000210049_200015260668 [1,1,0,0,0,0|1,1,0]=4 2690 B12R1.382 CSc1cccc(c1)NCC=O 34a_100000210049_200009817547 [1,1,0,0,0,0|1,1,0]=4 2691 B12R1.382 CSc1cccc(c1)OCC=O 34a_100011265683_200009817547 [1,1,0,0,0,0|1,1,0]=4 2692 B12R1.382 CSc1cccc(c1)OCC=O 7a_100011265683_200015260668 [1,1,0,0,0,0|1,1,0]=4 2693 B12R1.382 CSc1cccc(c1)SCC=O 62a_100011215954_200015260668 [1,1,0,0,0,0|1,1,0]=4 2694 B12R1.382 CSc1cccc(c1)SCC=O 62a_200015260668_100011215954 [1,1,0,0,0,0|1,1,0]=4 2695 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 34a_200011999501_200025704644 [1,1,0,0,0,0|0,0,2]=4 2696 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 7a_200011999501_200025704644 [1,1,0,0,0,0|0,0,2]=4 2697 B12R1.435 CCC(N)c1cccc(c1)OC 34a_100159312145_200000210301 [1,1,0,0,0,0|0,0,2]=4 2698 B12R1.435 CCC(N)c1cccc(c1)O[13CH3] 34a_100159312145_200025704644 [1,1,0,0,0,0|0,0,2]=4 2699 B12R1.435 CNC(C)c1cccc(c1)OC 2230a_100000737859_200000210301 [1,1,0,0,0,0|1,0,1]=4 2700 B12R1.435 CNC(C)c1cccc(c1)OC 269862a_106832991636_100000171656 [1,1,0,0,0,0|1,0,1]=4 2701 B12R1.435 COc1cccc(c1)C(C)N[13CH3] 2230a_100000737859_200025704644 [1,1,0,0,0,0|1,0,1]=4 2702 B12R1.435 COc1cccc(c1)C(C)OC 34a_100000246466_200000210301 [1,1,0,0,0,0|1,0,1]=4 2703 B12R1.435 COc1cccc(c1)C(C)OC 7a_100000246466_200000210301 [1,1,0,0,0,0|1,0,1]=4 2704 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 34a_100000246466_200025704644 [1,1,0,0,0,0|1,0,1]=4 2705 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 7a_100000246466_200025704644 [1,1,0,0,0,0|1,0,1]=4 2706 B12R1.435 COc1cccc(c1)C(N)CO 34a_100025717460_200000210301 [1,1,0,0,0,0|1,0,1]=4 2707 B12R1.435 COc1cccc(c1)C(O)CN 34a_100020657549_200000210301 [1,1,0,0,0,0|1,0,1]=4 2708 B12R1.435 [13CH3]Oc1cccc(c1)C(N)CO 34a_100025717460_200025704644 [1,1,0,0,0,0|1,0,1]=4 2709 B12R1.435 [13CH3]Oc1cccc(c1)C(O)CN 34a_100020657549_200025704644 [1,1,0,0,0,0|1,0,1]=4 2710 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_100000689217_200025704644 [1,1,0,0,0,0|0,1,1]=4 2711 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000689217 [1,1,0,0,0,0|0,1,1]=4 2712 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [1,1,0,0,0,0|1,0,1]=4 2713 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [1,1,0,0,0,0|1,0,1]=4 2714 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [1,1,0,0,0,0|1,0,1]=4 2715 B12R1.438 CNc1cccc(c1)CC(=O)N 2230a_200011690101_200000210301 [1,1,0,0,0,0|2,0,0]=4 2716 B12R1.438 CNc1cccc(c1)CC(=O)N 34a_200011690101_200000210301 [1,1,0,0,0,0|2,0,0]=4 2717 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000070787_100103152439 [1,1,0,0,0,0|1,0,1]=4 2718 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000718155_200000210301 [1,1,0,0,0,0|1,0,1]=4 2719 B12R1.438 COc1cc(ccn1)CC(=O)[13CH3] 1458a_100000718155_200025704644 [1,1,0,0,0,0|1,0,1]=4 2720 B12R1.438 COc1cccc(c1)C=C(C)C 271570a_100102525489_100000170001 [1,1,0,0,0,0|0,0,2]=4 2721 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [1,1,0,0,0,0|0,0,1]=3 2722 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [1,1,0,0,0,0|0,0,1]=3 2723 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [1,1,0,0,0,0|1,0,0]=3 2724 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [1,1,0,0,0,0|1,0,0]=3 2725 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [1,1,0,0,0,0|0,0,1]=3 2726 B12R1.438 COc1cccc(c1)CN(C)C 2230a_100000184262_200000210301 [1,1,0,0,0,0|1,0,1]=4 2727 B12R1.438 COc1cccc(c1)CN(C)C 2230a_100102631434_100000211672 [1,1,0,0,0,0|1,0,1]=4 2728 B12R1.438 COc1cccc(c1)CN(C)C 269982a_100000184262_200000210301 [1,1,0,0,0,0|1,0,1]=4 2729 B12R1.438 COc1cccc(c1)CN(C)C 269982a_100102631434_100000688526 [1,1,0,0,0,0|1,0,1]=4 2730 B12R1.438 COc1cccc(c1)CN(C)C 270004a_100102631434_100000170238 [1,1,0,0,0,0|1,0,1]=4 2731 B12R1.438 COc1cccc(c1)CN(C)[13CH3] 2230a_100000184262_200025704644 [1,1,0,0,0,0|1,0,1]=4 2732 B12R1.438 COc1cccc(c1)CN(C)[13CH3] 269982a_100000184262_200025704644 [1,1,0,0,0,0|1,0,1]=4 2733 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [1,1,0,0,0,0|1,0,1]=4 2734 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [1,1,0,0,0,0|1,0,1]=4 2735 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [1,1,0,0,0,0|1,0,1]=4 2736 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [1,1,0,0,0,0|1,0,1]=4 2737 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [1,1,0,0,0,0|1,0,1]=4 2738 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [1,1,0,0,0,0|1,0,1]=4 2739 B12R1.438 COc1cccc(c1)NC(=O)N 34a_100011219624_200000210301 [1,1,0,0,0,0|2,0,0]=4 2740 B12R1.438 COc1cccc(c1)NC(=O)N 7a_100011219624_200000210301 [1,1,0,0,0,0|2,0,0]=4 2741 B12R1.438 COc1cccc(c1)NC(=S)N 7a_100000023991_200000210301 [1,1,0,0,0,0|2,0,0]=4 2742 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [1,1,0,0,0,0|1,0,1]=4 2743 B12R1.438 COc1cccc(n1)CC(=O)C 1458a_100000070787_100000755263 [1,1,0,0,0,0|1,0,1]=4 2744 B12R1.438 COc1ccnc(c1)CC(=O)C 1458a_100000070787_100000752681 [1,1,0,0,0,0|1,0,1]=4 2745 B12R1.438 CSc1cccc(c1)CC(=O)C 1458a_100000035702_200000210301 [1,1,0,0,0,0|0,1,1]=4 2746 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_100000689217_200000210301 [1,1,0,0,0,0|0,1,1]=4 2747 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_200000210301_100000689217 [1,1,0,0,0,0|0,1,1]=4 2748 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_100011586816_200000210301 [1,1,0,0,0,0|1,1,0]=4 2749 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_200000210301_100011586816 [1,1,0,0,0,0|1,1,0]=4 2750 B12R1.438 CSc1cccc(c1)CC(=O)[13CH3] 1458a_100000035702_200025704644 [1,1,0,0,0,0|0,1,1]=4 2751 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 2230a_200011690101_200025704644 [1,1,0,0,0,0|2,0,0]=4 2752 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 34a_200011690101_200025704644 [1,1,0,0,0,0|2,0,0]=4 2753 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [1,1,0,0,0,0|1,0,0]=3 2754 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [1,1,0,0,0,0|1,0,0]=3 2755 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 34a_100011219624_200025704644 [1,1,0,0,0,0|2,0,0]=4 2756 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 7a_100011219624_200025704644 [1,1,0,0,0,0|2,0,0]=4 2757 B12R1.438 [13CH3]Oc1cccc(c1)NC(=S)N 7a_100000023991_200025704644 [1,1,0,0,0,0|2,0,0]=4 2758 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_100011586816_200025704644 [1,1,0,0,0,0|1,1,0]=4 2759 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_200025704644_100011586816 [1,1,0,0,0,0|1,1,0]=4 2760 B12R1.19 CC(=Cc1ccc(c(c1)C)O)C 271570a_100102525489_100000186361 [1,1,0,0,0,0|0,0,2]=4 2761 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C 271570a_100102525489_100009813601 [1,1,0,0,0,0|0,0,2]=4 2762 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [1,1,0,0,0,0|1,0,1]=4 2763 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [1,1,0,0,0,0|1,0,1]=4 2764 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [1,1,0,0,0,0|1,0,1]=4 2765 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [1,1,0,0,0,0|1,0,1]=4 2766 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [1,1,0,0,0,0|1,0,1]=4 2767 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [1,1,0,0,0,0|1,0,1]=4 2768 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [1,1,0,0,0,0|1,0,1]=4 2769 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [1,1,0,0,0,0|1,0,1]=4 2770 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [1,1,0,0,0,0|0,0,1]=3 2771 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [1,1,0,0,0,0|1,0,1]=4 2772 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [1,1,0,0,0,0|1,0,1]=4 2773 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [1,1,0,0,0,0|1,0,1]=4 2774 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [1,1,0,0,0,0|0,0,1]=3 2775 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [1,1,0,0,0,0|0,0,1]=3 2776 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [1,1,0,0,0,0|1,0,1]=4 2777 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [1,1,0,0,0,0|1,0,1]=4 2778 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [1,1,0,0,0,0|1,0,1]=4 2779 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [1,1,0,0,0,0|1,0,1]=4 2780 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [1,1,0,0,0,0|1,0,1]=4 2781 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [1,1,0,0,0,0|1,0,1]=4 2782 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [1,1,0,0,0,0|1,0,1]=4 2783 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [1,1,0,0,0,0|1,0,1]=4 2784 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [1,1,0,0,0,0|0,0,1]=3 2785 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [1,1,0,0,0,0|2,0,0]=4 2786 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [1,1,0,0,0,0|1,0,1]=4 2787 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [1,1,0,0,0,0|1,0,1]=4 2788 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [1,1,0,0,0,0|1,0,1]=4 2789 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [1,1,0,0,0,0|1,0,1]=4 2790 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [1,1,0,0,0,0|1,0,1]=4 2791 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [1,1,0,0,0,0|0,0,1]=3 2792 B12R1.44 C=C=Cc1cc(c(c(c1)Br)O)C 271570a_100015277604_100010982682 [1,1,0,0,0,0|0,0,2]=4 2793 B12R1.44 C=C=Cc1cc(c(c(c1)C)O)C 271570a_100015277604_100000187306 [1,1,0,0,0,0|0,0,2]=4 2794 B12R1.44 C=C=Cc1cc(c(c(c1)Cl)O)C 271570a_100015277604_200015900153 [1,1,0,0,0,0|0,0,2]=4 2795 B12R1.44 C=C=Cc1cc(c(c(c1)N)O)C 271570a_100015277604_100011825904 [1,1,0,0,0,0|0,0,2]=4 2796 B12R1.44 CC=Cc1cc(c(c(c1)Br)O)C 271570a_100016259895_100010982682 [1,1,0,0,0,0|0,0,2]=4 2797 B12R1.44 CC=Cc1cc(c(c(c1)C)O)C 271570a_100016259895_100000187306 [1,1,0,0,0,0|0,0,2]=4 2798 B12R1.44 CC=Cc1cc(c(c(c1)Cl)O)C 271570a_100016259895_200015900153 [1,1,0,0,0,0|0,0,2]=4 2799 B12R1.44 CC=Cc1cc(c(c(c1)N)O)C 271570a_100016259895_100011825904 [1,1,0,0,0,0|0,0,2]=4 2800 B12R1.288 C=C=Cc1ccc(c(c1)C)CO 271570a_100015277604_100000748258 [1,1,0,0,0,0|0,0,2]=4 2801 B12R1.288 C=C=Cc1ccc(c(c1)C)OC 271570a_100015277604_100011219705 [1,1,0,0,0,0|0,0,2]=4 2802 B12R1.288 C=C=Cc1ccc(c(c1)O)CO 271570a_100015277604_100000071718 [1,1,0,0,0,0|0,0,2]=4 2803 B12R1.288 C=C=Cc1ccc(c(c1)O)OC 271570a_100015277604_100009816560 [1,1,0,0,0,0|0,0,2]=4 2804 B12R1.288 CC=Cc1ccc(c(c1)C)CO 271570a_100016259895_100000748258 [1,1,0,0,0,0|0,0,2]=4 2805 B12R1.288 CC=Cc1ccc(c(c1)C)OC 271570a_100016259895_100011219705 [1,1,0,0,0,0|0,0,2]=4 2806 B12R1.288 CC=Cc1ccc(c(c1)O)CO 271570a_100016259895_100000071718 [1,1,0,0,0,0|0,0,2]=4 2807 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [1,1,0,0,0,0|0,0,2]=4 2808 B12R1.288 CNCc1ccc(c(c1)C)OC 207a_100102657272_100000239718 [1,1,0,0,0,0|1,0,1]=4 2809 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_100102679029_200000210301 [1,1,0,0,0,0|1,0,1]=4 2810 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_106832991635_200011290836 [1,1,0,0,0,0|1,0,1]=4 2811 B12R1.288 CNCc1ccc(c(c1)C)OC 270004a_106832991635_100000239718 [1,1,0,0,0,0|1,0,1]=4 2812 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102657272_200011290836 [1,1,0,0,0,0|1,0,1]=4 2813 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102679029_200000210301 [1,1,0,0,0,0|1,0,1]=4 2814 B12R1.288 CNCc1ccc(c(c1)C)OC 7a_106832991635_200011290836 [1,1,0,0,0,0|1,0,1]=4 2815 B12R1.288 CNCc1ccc(c(c1)O)OC 34a_100000740000_200000210301 [1,1,0,0,0,0|1,0,1]=4 2816 B12R1.288 COCc1ccc(c(c1)C)OC 34a_100138415774_200011290836 [1,1,0,0,0,0|1,0,1]=4 2817 B12R1.288 COCc1ccc(c(c1)C)OC 34a_200011290855_200000210301 [1,1,0,0,0,0|1,0,1]=4 2818 B12R1.288 COCc1ccc(c(c1)C)OC 7a_200011290855_200000210301 [1,1,0,0,0,0|1,0,1]=4 2819 B12R1.288 COc1ccc(cc1C)CN[13CH3] 2230a_100102679029_200025704644 [1,1,0,0,0,0|1,0,1]=4 2820 B12R1.288 COc1ccc(cc1C)CN[13CH3] 34a_100102679029_200025704644 [1,1,0,0,0,0|1,0,1]=4 2821 B12R1.288 COc1ccc(cc1C)CO[13CH3] 34a_200011290855_200025704644 [1,1,0,0,0,0|1,0,1]=4 2822 B12R1.288 COc1ccc(cc1C)CO[13CH3] 7a_200011290855_200025704644 [1,1,0,0,0,0|1,0,1]=4 2823 B12R1.288 COc1ccc(cc1C)CSC 62a_200000210301_200011290836 [1,1,0,0,0,0|1,0,1]=4 2824 B12R1.288 COc1ccc(cc1C)CSC 62a_200011290836_200000210301 [1,1,0,0,0,0|1,0,1]=4 2825 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200011290836_200025704644 [1,1,0,0,0,0|1,0,1]=4 2826 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200025704644_200011290836 [1,1,0,0,0,0|1,0,1]=4 2827 B12R1.288 COc1ccc(cc1O)CC#N 271570a_203496583355_100011215974 [1,1,0,0,0,0|1,0,1]=4 2828 B12R1.288 COc1ccc(cc1O)CCN 271570a_203496583355_103549771065 [1,1,0,0,0,0|1,0,1]=4 2829 B12R1.288 COc1ccc(cc1O)CCO 271570a_203496583355_100011962876 [1,1,0,0,0,0|1,0,1]=4 2830 B12R1.288 COc1ccc(cc1O)CN[13CH3] 34a_100000740000_200025704644 [1,1,0,0,0,0|1,0,1]=4 2831 B12R1.367 CNC(C)c1ccc(c(c1)C)O 269862a_106832991636_100000188726 [1,1,0,0,0,0|1,0,1]=4 2832 B12R1.385 C#CCNc1ccc(c(c1)C)O 34a_100011218179_100000184674 [1,1,0,0,0,0|0,0,2]=4 2833 B12R1.385 C#CCNc1ccc(c(c1)C)O 7a_100011218179_100000038162 [1,1,0,0,0,0|0,0,2]=4 2834 B12R1.385 C#CCNc1ccc(c(c1)O)O 34a_100102946323_100000184674 [1,1,0,0,0,0|0,0,2]=4 2835 B12R1.385 C#CCSc1ccc(c(c1)C)O 62a_100000038162_100000186361 [1,1,0,0,0,0|0,0,2]=4 2836 B12R1.385 C#CCSc1ccc(c(c1)O)O 62a_100000038162_100009813601 [1,1,0,0,0,0|0,0,2]=4 2837 B12R1.385 C=CCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000210623 [1,1,0,0,0,0|2,0,0]=4 2838 B12R1.385 C=CCNc1ccc(c(c1)Br)Br 34a_100011306057_100015514636 [1,1,0,0,0,0|2,0,0]=4 2839 B12R1.385 C=CCNc1ccc(c(c1)Br)Br 7a_100011306057_100015514636 [1,1,0,0,0,0|2,0,0]=4 2840 B12R1.385 C=CCNc1ccc(c(c1)Br)C 2230a_100000736455_100000210623 [1,1,0,0,0,0|2,0,0]=4 2841 B12R1.385 C=CCNc1ccc(c(c1)Br)C 34a_100000736455_100015514636 [1,1,0,0,0,0|2,0,0]=4 2842 B12R1.385 C=CCNc1ccc(c(c1)Br)C 7a_100000736455_100015514636 [1,1,0,0,0,0|2,0,0]=4 2843 B12R1.385 C=CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210623 [1,1,0,0,0,0|2,0,0]=4 2844 B12R1.385 C=CCNc1ccc(c(c1)Br)Cl 34a_100000686031_100015514636 [1,1,0,0,0,0|2,0,0]=4 2845 B12R1.385 C=CCNc1ccc(c(c1)Br)F 2230a_100000760356_100000210623 [1,1,0,0,0,0|2,0,0]=4 2846 B12R1.385 C=CCNc1ccc(c(c1)Br)F 34a_100000760356_100015514636 [1,1,0,0,0,0|2,0,0]=4 2847 B12R1.385 C=CCNc1ccc(c(c1)Br)F 7a_100000760356_100015514636 [1,1,0,0,0,0|2,0,0]=4 2848 B12R1.385 C=CCNc1ccc(c(c1)Br)I 34a_100000750458_100015514636 [1,1,0,0,0,0|2,0,0]=4 2849 B12R1.385 C=CCNc1ccc(c(c1)Br)O 34a_100011534360_100015514636 [1,1,0,0,0,0|1,0,0]=3 2850 B12R1.385 C=CCNc1ccc(c(c1)C)Br 2230a_100000210723_100000210623 [1,1,0,0,0,0|1,0,0]=3 2851 B12R1.385 C=CCNc1ccc(c(c1)C)Br 34a_100000210723_100015514636 [1,1,0,0,0,0|1,0,0]=3 2852 B12R1.385 C=CCNc1ccc(c(c1)C)Br 7a_100000210723_100015514636 [1,1,0,0,0,0|1,0,0]=3 2853 B12R1.385 C=CCNc1ccc(c(c1)C)C 2230a_100000724040_100000210623 [1,1,0,0,0,0|1,0,0]=3 2854 B12R1.385 C=CCNc1ccc(c(c1)C)C 34a_100000724040_100015514636 [1,1,0,0,0,0|1,0,0]=3 2855 B12R1.385 C=CCNc1ccc(c(c1)C)C 7a_100000724040_100015514636 [1,1,0,0,0,0|1,0,0]=3 2856 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210623 [1,1,0,0,0,0|1,0,0]=3 2857 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 34a_100000187808_100015514636 [1,1,0,0,0,0|1,0,0]=3 2858 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 7a_100000187808_100015514636 [1,1,0,0,0,0|1,0,0]=3 2859 B12R1.385 C=CCNc1ccc(c(c1)C)F 2230a_100000750164_100000210623 [1,1,0,0,0,0|1,0,0]=3 2860 B12R1.385 C=CCNc1ccc(c(c1)C)F 34a_100000750164_100015514636 [1,1,0,0,0,0|1,0,0]=3 2861 B12R1.385 C=CCNc1ccc(c(c1)C)F 7a_100000750164_100015514636 [1,1,0,0,0,0|1,0,0]=3 2862 B12R1.385 C=CCNc1ccc(c(c1)C)I 34a_100000198070_100015514636 [1,1,0,0,0,0|1,0,0]=3 2863 B12R1.385 C=CCNc1ccc(c(c1)C)I 7a_100000198070_100015514636 [1,1,0,0,0,0|1,0,0]=3 2864 B12R1.385 C=CCNc1ccc(c(c1)C)O 34a_100011218179_100015514636 [1,1,0,0,0,0|0,0,0]=2 2865 B12R1.385 C=CCNc1ccc(c(c1)C)O 7a_100011218179_100015514636 [1,1,0,0,0,0|0,0,0]=2 2866 B12R1.385 C=CCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000210623 [1,1,0,0,0,0|2,0,0]=4 2867 B12R1.385 C=CCNc1ccc(c(c1)Cl)Br 34a_100000687081_100015514636 [1,1,0,0,0,0|2,0,0]=4 2868 B12R1.385 C=CCNc1ccc(c(c1)Cl)Br 7a_100000687081_100015514636 [1,1,0,0,0,0|2,0,0]=4 2869 B12R1.385 C=CCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000210623 [1,1,0,0,0,0|2,0,0]=4 2870 B12R1.385 C=CCNc1ccc(c(c1)Cl)C 34a_100000188892_100015514636 [1,1,0,0,0,0|2,0,0]=4 2871 B12R1.385 C=CCNc1ccc(c(c1)Cl)C 7a_100000188892_100015514636 [1,1,0,0,0,0|2,0,0]=4 2872 B12R1.385 C=CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210623 [1,1,0,0,0,0|2,0,0]=4 2873 B12R1.385 C=CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100015514636 [1,1,0,0,0,0|2,0,0]=4 2874 B12R1.385 C=CCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000210623 [1,1,0,0,0,0|2,0,0]=4 2875 B12R1.385 C=CCNc1ccc(c(c1)Cl)F 34a_100000211060_100015514636 [1,1,0,0,0,0|2,0,0]=4 2876 B12R1.385 C=CCNc1ccc(c(c1)Cl)F 7a_100000211060_100015514636 [1,1,0,0,0,0|2,0,0]=4 2877 B12R1.385 C=CCNc1ccc(c(c1)Cl)I 34a_100000761885_100015514636 [1,1,0,0,0,0|2,0,0]=4 2878 B12R1.385 C=CCNc1ccc(c(c1)Cl)O 34a_100000744943_100015514636 [1,1,0,0,0,0|1,0,0]=3 2879 B12R1.385 C=CCNc1ccc(c(c1)F)Br 2230a_100000759894_100000210623 [1,1,0,0,0,0|2,0,0]=4 2880 B12R1.385 C=CCNc1ccc(c(c1)F)Br 34a_100000759894_100015514636 [1,1,0,0,0,0|2,0,0]=4 2881 B12R1.385 C=CCNc1ccc(c(c1)F)Br 7a_100000759894_100015514636 [1,1,0,0,0,0|2,0,0]=4 2882 B12R1.385 C=CCNc1ccc(c(c1)F)C 2230a_100000210958_100000210623 [1,1,0,0,0,0|2,0,0]=4 2883 B12R1.385 C=CCNc1ccc(c(c1)F)C 34a_100000210958_100015514636 [1,1,0,0,0,0|2,0,0]=4 2884 B12R1.385 C=CCNc1ccc(c(c1)F)C 7a_100000210958_100015514636 [1,1,0,0,0,0|2,0,0]=4 2885 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210623 [1,1,0,0,0,0|2,0,0]=4 2886 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 34a_100000739366_100015514636 [1,1,0,0,0,0|2,0,0]=4 2887 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 7a_100000739366_100015514636 [1,1,0,0,0,0|2,0,0]=4 2888 B12R1.385 C=CCNc1ccc(c(c1)F)F 2230a_100000210724_100000210623 [1,1,0,0,0,0|2,0,0]=4 2889 B12R1.385 C=CCNc1ccc(c(c1)F)F 34a_100000210724_100015514636 [1,1,0,0,0,0|2,0,0]=4 2890 B12R1.385 C=CCNc1ccc(c(c1)F)F 7a_100000210724_100015514636 [1,1,0,0,0,0|2,0,0]=4 2891 B12R1.385 C=CCNc1ccc(c(c1)F)I 34a_100011356925_100015514636 [1,1,0,0,0,0|2,0,0]=4 2892 B12R1.385 C=CCNc1ccc(c(c1)F)I 7a_100011356925_100015514636 [1,1,0,0,0,0|2,0,0]=4 2893 B12R1.385 C=CCNc1ccc(c(c1)F)O 34a_100011220035_100015514636 [1,1,0,0,0,0|1,0,0]=3 2894 B12R1.385 C=CCNc1ccc(c(c1)F)O 7a_100011220035_100015514636 [1,1,0,0,0,0|1,0,0]=3 2895 B12R1.385 C=CCNc1ccc(c(c1)I)Br 34a_100000750459_100015514636 [1,1,0,0,0,0|2,0,0]=4 2896 B12R1.385 C=CCNc1ccc(c(c1)I)C 34a_100000184131_100015514636 [1,1,0,0,0,0|2,0,0]=4 2897 B12R1.385 C=CCNc1ccc(c(c1)I)C 7a_100000184131_100015514636 [1,1,0,0,0,0|2,0,0]=4 2898 B12R1.385 C=CCNc1ccc(c(c1)I)Cl 34a_100012360549_100015514636 [1,1,0,0,0,0|2,0,0]=4 2899 B12R1.385 C=CCNc1ccc(c(c1)I)F 34a_114828291077_100015514636 [1,1,0,0,0,0|2,0,0]=4 2900 B12R1.385 C=CCNc1ccc(c(c1)I)F 7a_114828291077_100015514636 [1,1,0,0,0,0|2,0,0]=4 2901 B12R1.385 C=CCNc1ccc(c(c1)O)C 34a_100000759471_100015514636 [1,1,0,0,0,0|1,0,0]=3 2902 B12R1.385 C=CCNc1ccc(c(c1)O)C 7a_100000759471_100015514636 [1,1,0,0,0,0|1,0,0]=3 2903 B12R1.385 C=CCNc1ccc(c(c1)O)Cl 34a_100011934209_100015514636 [1,1,0,0,0,0|1,0,0]=3 2904 B12R1.385 C=CCNc1ccc(c(c1)O)F 34a_100012017398_100015514636 [1,1,0,0,0,0|1,0,0]=3 2905 B12R1.385 C=CCNc1ccc(c(c1)O)F 7a_100012017398_100015514636 [1,1,0,0,0,0|1,0,0]=3 2906 B12R1.385 C=CCNc1ccc(c(c1)O)O 34a_100102946323_100015514636 [1,1,0,0,0,0|0,0,0]=2 2907 B12R1.385 C=CCOc1cc(c(cn1)Br)C 34a_100000766222_100015514636 [1,1,0,0,0,0|2,0,0]=4 2908 B12R1.385 C=CCOc1cc(c(cn1)Cl)C 34a_200000085746_100015514636 [1,1,0,0,0,0|2,0,0]=4 2909 B12R1.385 C=CCOc1ccc(c(c1)Br)C 34a_100011380479_100015514636 [1,1,0,0,0,0|2,0,0]=4 2910 B12R1.385 C=CCOc1ccc(c(c1)Br)C 7a_100011380479_100015514636 [1,1,0,0,0,0|2,0,0]=4 2911 B12R1.385 C=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100015514636 [1,1,0,0,0,0|2,0,0]=4 2912 B12R1.385 C=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100015514636 [1,1,0,0,0,0|2,0,0]=4 2913 B12R1.385 C=CCOc1ccc(c(c1)Br)F 34a_100000693481_100015514636 [1,1,0,0,0,0|2,0,0]=4 2914 B12R1.385 C=CCOc1ccc(c(c1)Br)F 7a_100000693481_100015514636 [1,1,0,0,0,0|2,0,0]=4 2915 B12R1.385 C=CCOc1ccc(c(c1)Br)I 34a_100000701344_100015514636 [1,1,0,0,0,0|2,0,0]=4 2916 B12R1.385 C=CCOc1ccc(c(c1)Br)I 7a_100000701344_100015514636 [1,1,0,0,0,0|2,0,0]=4 2917 B12R1.385 C=CCOc1ccc(c(c1)Br)N 34a_100012001276_100015514636 [1,1,0,0,0,0|2,0,0]=4 2918 B12R1.385 C=CCOc1ccc(c(c1)Br)N 7a_100012001276_100015514636 [1,1,0,0,0,0|2,0,0]=4 2919 B12R1.385 C=CCOc1ccc(c(c1)C)Br 34a_100000690111_100015514636 [1,1,0,0,0,0|1,0,0]=3 2920 B12R1.385 C=CCOc1ccc(c(c1)C)Br 7a_100000690111_100015514636 [1,1,0,0,0,0|1,0,0]=3 2921 B12R1.385 C=CCOc1ccc(c(c1)C)C 34a_100000210932_100015514636 [1,1,0,0,0,0|1,0,0]=3 2922 B12R1.385 C=CCOc1ccc(c(c1)C)C 7a_100000210932_100015514636 [1,1,0,0,0,0|1,0,0]=3 2923 B12R1.385 C=CCOc1ccc(c(c1)C)Cl 34a_100000211092_100015514636 [1,1,0,0,0,0|1,0,0]=3 2924 B12R1.385 C=CCOc1ccc(c(c1)C)Cl 7a_100000211092_100015514636 [1,1,0,0,0,0|1,0,0]=3 2925 B12R1.385 C=CCOc1ccc(c(c1)C)F 34a_100000751312_100015514636 [1,1,0,0,0,0|1,0,0]=3 2926 B12R1.385 C=CCOc1ccc(c(c1)C)F 7a_100000751312_100015514636 [1,1,0,0,0,0|1,0,0]=3 2927 B12R1.385 C=CCOc1ccc(c(c1)C)I 34a_100000729255_100015514636 [1,1,0,0,0,0|1,0,0]=3 2928 B12R1.385 C=CCOc1ccc(c(c1)C)I 7a_100000729255_100015514636 [1,1,0,0,0,0|1,0,0]=3 2929 B12R1.385 C=CCOc1ccc(c(c1)C)N 34a_100000756630_100015514636 [1,1,0,0,0,0|1,0,0]=3 2930 B12R1.385 C=CCOc1ccc(c(c1)C)N 7a_100000756630_100015514636 [1,1,0,0,0,0|1,0,0]=3 2931 B12R1.385 C=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100015514636 [1,1,0,0,0,0|2,0,0]=4 2932 B12R1.385 C=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100015514636 [1,1,0,0,0,0|2,0,0]=4 2933 B12R1.385 C=CCOc1ccc(c(c1)Cl)C 34a_100011265682_100015514636 [1,1,0,0,0,0|2,0,0]=4 2934 B12R1.385 C=CCOc1ccc(c(c1)Cl)C 7a_100011265682_100015514636 [1,1,0,0,0,0|2,0,0]=4 2935 B12R1.385 C=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100015514636 [1,1,0,0,0,0|2,0,0]=4 2936 B12R1.385 C=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100015514636 [1,1,0,0,0,0|2,0,0]=4 2937 B12R1.385 C=CCOc1ccc(c(c1)Cl)F 34a_100000211030_100015514636 [1,1,0,0,0,0|2,0,0]=4 2938 B12R1.385 C=CCOc1ccc(c(c1)Cl)F 7a_100000211030_100015514636 [1,1,0,0,0,0|2,0,0]=4 2939 B12R1.385 C=CCOc1ccc(c(c1)Cl)I 34a_100000047559_100015514636 [1,1,0,0,0,0|2,0,0]=4 2940 B12R1.385 C=CCOc1ccc(c(c1)Cl)I 7a_100000047559_100015514636 [1,1,0,0,0,0|2,0,0]=4 2941 B12R1.385 C=CCOc1ccc(c(c1)Cl)N 34a_100011215599_100015514636 [1,1,0,0,0,0|2,0,0]=4 2942 B12R1.385 C=CCOc1ccc(c(c1)Cl)N 7a_100011215599_100015514636 [1,1,0,0,0,0|2,0,0]=4 2943 B12R1.385 C=CCOc1ccc(c(c1)F)Br 34a_100000755031_100015514636 [1,1,0,0,0,0|2,0,0]=4 2944 B12R1.385 C=CCOc1ccc(c(c1)F)Br 7a_100000755031_100015514636 [1,1,0,0,0,0|2,0,0]=4 2945 B12R1.385 C=CCOc1ccc(c(c1)F)C 34a_100000722560_100015514636 [1,1,0,0,0,0|2,0,0]=4 2946 B12R1.385 C=CCOc1ccc(c(c1)F)C 7a_100000722560_100015514636 [1,1,0,0,0,0|2,0,0]=4 2947 B12R1.385 C=CCOc1ccc(c(c1)F)Cl 34a_100000691581_100015514636 [1,1,0,0,0,0|2,0,0]=4 2948 B12R1.385 C=CCOc1ccc(c(c1)F)Cl 7a_100000691581_100015514636 [1,1,0,0,0,0|2,0,0]=4 2949 B12R1.385 C=CCOc1ccc(c(c1)F)F 34a_100000181275_100015514636 [1,1,0,0,0,0|2,0,0]=4 2950 B12R1.385 C=CCOc1ccc(c(c1)F)F 7a_100000181275_100015514636 [1,1,0,0,0,0|2,0,0]=4 2951 B12R1.385 C=CCOc1ccc(c(c1)F)I 34a_100009990212_100015514636 [1,1,0,0,0,0|2,0,0]=4 2952 B12R1.385 C=CCOc1ccc(c(c1)F)I 7a_100009990212_100015514636 [1,1,0,0,0,0|2,0,0]=4 2953 B12R1.385 C=CCOc1ccc(c(c1)F)N 34a_100000759473_100015514636 [1,1,0,0,0,0|2,0,0]=4 2954 B12R1.385 C=CCOc1ccc(c(c1)F)N 7a_100000759473_100015514636 [1,1,0,0,0,0|2,0,0]=4 2955 B12R1.385 C=CCOc1ccc(c(c1)I)Br 34a_100012339312_100015514636 [1,1,0,0,0,0|2,0,0]=4 2956 B12R1.385 C=CCOc1ccc(c(c1)I)Br 7a_100012339312_100015514636 [1,1,0,0,0,0|2,0,0]=4 2957 B12R1.385 C=CCOc1ccc(c(c1)I)Cl 34a_100000049588_100015514636 [1,1,0,0,0,0|2,0,0]=4 2958 B12R1.385 C=CCOc1ccc(c(c1)I)Cl 7a_100000049588_100015514636 [1,1,0,0,0,0|2,0,0]=4 2959 B12R1.385 C=CCOc1ccc(c(c1)I)N 34a_100010084370_100015514636 [1,1,0,0,0,0|2,0,0]=4 2960 B12R1.385 C=CCOc1ccc(c(c1)I)N 7a_100010084370_100015514636 [1,1,0,0,0,0|2,0,0]=4 2961 B12R1.385 C=CCOc1ccc(c(c1)N)Br 34a_100011999798_100015514636 [1,1,0,0,0,0|2,0,0]=4 2962 B12R1.385 C=CCOc1ccc(c(c1)N)Br 7a_100011999798_100015514636 [1,1,0,0,0,0|2,0,0]=4 2963 B12R1.385 C=CCOc1ccc(c(c1)N)C 34a_100011216113_100015514636 [1,1,0,0,0,0|2,0,0]=4 2964 B12R1.385 C=CCOc1ccc(c(c1)N)C 7a_100011216113_100015514636 [1,1,0,0,0,0|2,0,0]=4 2965 B12R1.385 C=CCOc1ccc(c(c1)N)Cl 34a_100011934297_100015514636 [1,1,0,0,0,0|2,0,0]=4 2966 B12R1.385 C=CCOc1ccc(c(c1)N)F 34a_100012017239_100015514636 [1,1,0,0,0,0|2,0,0]=4 2967 B12R1.385 C=CCOc1ccc(c(c1)N)F 7a_100012017239_100015514636 [1,1,0,0,0,0|2,0,0]=4 2968 B12R1.385 C=CCOc1ccc(c(c1)N)N 34a_100025771000_100015514636 [1,1,0,0,0,0|2,0,0]=4 2969 B12R1.385 C=CCOc1ccc(c(n1)C)Br 34a_100000691680_100015514636 [1,1,0,0,0,0|2,0,0]=4 2970 B12R1.385 C=CCOc1ccc(c(n1)C)Cl 34a_200009863735_100015514636 [1,1,0,0,0,0|2,0,0]=4 2971 B12R1.385 C=CCOc1cnc(c(c1)C)Br 34a_100012000486_100015514636 [1,1,0,0,0,0|2,0,0]=4 2972 B12R1.385 C=CCOc1cnc(c(c1)C)Br 7a_100012000486_100015514636 [1,1,0,0,0,0|2,0,0]=4 2973 B12R1.385 C=CCOc1cnc(c(c1)C)C 34a_100009854398_100015514636 [1,1,0,0,0,0|2,0,0]=4 2974 B12R1.385 C=CCOc1cnc(c(c1)C)C 7a_100009854398_100015514636 [1,1,0,0,0,0|2,0,0]=4 2975 B12R1.385 C=CCOc1cnc(c(c1)C)Cl 34a_100012002680_100015514636 [1,1,0,0,0,0|2,0,0]=4 2976 B12R1.385 C=CCOc1cnc(c(c1)C)Cl 7a_100012002680_100015514636 [1,1,0,0,0,0|2,0,0]=4 2977 B12R1.385 C=CCOc1cnc(c(c1)C)F 34a_100000094615_100015514636 [1,1,0,0,0,0|2,0,0]=4 2978 B12R1.385 C=CCOc1cnc(c(c1)C)F 7a_100000094615_100015514636 [1,1,0,0,0,0|2,0,0]=4 2979 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)O 62a_100000210623_100009814561 [1,1,0,0,0,0|1,0,1]=4 2980 B12R1.385 C=CCSc1cc(c(cn1)Br)C 62a_100000210623_100012356354 [1,1,0,0,0,0|2,0,0]=4 2981 B12R1.385 C=CCSc1cc(c(cn1)Br)C 62a_100012356354_100000210623 [1,1,0,0,0,0|2,0,0]=4 2982 B12R1.385 C=CCSc1cc(c(cn1)C)C 62a_100000210623_100009850809 [1,1,0,0,0,0|2,0,0]=4 2983 B12R1.385 C=CCSc1cc(c(cn1)C)C 62a_100009850809_100000210623 [1,1,0,0,0,0|2,0,0]=4 2984 B12R1.385 C=CCSc1cc(c(cn1)C)O 62a_100000210623_100000704368 [1,1,0,0,0,0|2,0,0]=4 2985 B12R1.385 C=CCSc1cc(c(cn1)C)O 62a_100000704368_100000210623 [1,1,0,0,0,0|2,0,0]=4 2986 B12R1.385 C=CCSc1cc(c(cn1)F)C 62a_100000210623_100009818257 [1,1,0,0,0,0|2,0,0]=4 2987 B12R1.385 C=CCSc1cc(c(cn1)F)C 62a_100009818257_100000210623 [1,1,0,0,0,0|2,0,0]=4 2988 B12R1.385 C=CCSc1cc(c(cn1)F)O 62a_100000210623_100009854642 [1,1,0,0,0,0|2,0,0]=4 2989 B12R1.385 C=CCSc1cc(c(cn1)F)O 62a_100009854642_100000210623 [1,1,0,0,0,0|2,0,0]=4 2990 B12R1.385 C=CCSc1cc(c(cn1)N)C 62a_100000067204_100000210623 [1,1,0,0,0,0|2,0,0]=4 2991 B12R1.385 C=CCSc1cc(c(cn1)N)C 62a_100000210623_100000067204 [1,1,0,0,0,0|2,0,0]=4 2992 B12R1.385 C=CCSc1cc(c(cn1)O)C 62a_100000210623_100000692680 [1,1,0,0,0,0|1,0,0]=3 2993 B12R1.385 C=CCSc1cc(c(cn1)O)N 62a_100000210623_100009819941 [1,1,0,0,0,0|2,0,0]=4 2994 B12R1.385 C=CCSc1cc(c(cn1)O)N 62a_100009819941_100000210623 [1,1,0,0,0,0|2,0,0]=4 2995 B12R1.385 C=CCSc1ccc(=O)n(c1)C 62a_100000210623_100011245003 [1,1,0,0,0,0|1,0,1]=4 2996 B12R1.385 C=CCSc1ccc(=O)n(c1)C 62a_100011245003_100000210623 [1,1,0,0,0,0|1,0,1]=4 2997 B12R1.385 C=CCSc1ccc(c(c1)Br)Br 62a_100000210623_100012356285 [1,1,0,0,0,0|2,0,0]=4 2998 B12R1.385 C=CCSc1ccc(c(c1)Br)Br 62a_100012356285_100000210623 [1,1,0,0,0,0|2,0,0]=4 2999 B12R1.385 C=CCSc1ccc(c(c1)Br)C 62a_100000210623_100011847877 [1,1,0,0,0,0|2,0,0]=4 3000 B12R1.385 C=CCSc1ccc(c(c1)Br)C 62a_100011847877_100000210623 [1,1,0,0,0,0|2,0,0]=4 3001 B12R1.385 C=CCSc1ccc(c(c1)Br)Cl 62a_100000210623_100012353702 [1,1,0,0,0,0|2,0,0]=4 3002 B12R1.385 C=CCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210623 [1,1,0,0,0,0|2,0,0]=4 3003 B12R1.385 C=CCSc1ccc(c(c1)Br)F 62a_100000210623_100012047266 [1,1,0,0,0,0|2,0,0]=4 3004 B12R1.385 C=CCSc1ccc(c(c1)Br)F 62a_100012047266_100000210623 [1,1,0,0,0,0|2,0,0]=4 3005 B12R1.385 C=CCSc1ccc(c(c1)Br)N 62a_100000210623_100000750455 [1,1,0,0,0,0|2,0,0]=4 3006 B12R1.385 C=CCSc1ccc(c(c1)Br)N 62a_100000750455_100000210623 [1,1,0,0,0,0|2,0,0]=4 3007 B12R1.385 C=CCSc1ccc(c(c1)Br)O 62a_100000210623_100012361655 [1,1,0,0,0,0|1,0,0]=3 3008 B12R1.385 C=CCSc1ccc(c(c1)Br)O 62a_100012361655_100000210623 [1,1,0,0,0,0|1,0,0]=3 3009 B12R1.385 C=CCSc1ccc(c(c1)C)Br 62a_100000210623_100009813585 [1,1,0,0,0,0|1,0,0]=3 3010 B12R1.385 C=CCSc1ccc(c(c1)C)Br 62a_100009813585_100000210623 [1,1,0,0,0,0|1,0,0]=3 3011 B12R1.385 C=CCSc1ccc(c(c1)C)C 62a_100000210623_100011215607 [1,1,0,0,0,0|1,0,0]=3 3012 B12R1.385 C=CCSc1ccc(c(c1)C)C 62a_100011215607_100000210623 [1,1,0,0,0,0|1,0,0]=3 3013 B12R1.385 C=CCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210623 [1,1,0,0,0,0|1,0,0]=3 3014 B12R1.385 C=CCSc1ccc(c(c1)C)Cl 62a_100000210623_100000049509 [1,1,0,0,0,0|1,0,0]=3 3015 B12R1.385 C=CCSc1ccc(c(c1)C)F 62a_100000210623_100011218330 [1,1,0,0,0,0|1,0,0]=3 3016 B12R1.385 C=CCSc1ccc(c(c1)C)F 62a_100011218330_100000210623 [1,1,0,0,0,0|1,0,0]=3 3017 B12R1.385 C=CCSc1ccc(c(c1)C)N 62a_100000210623_100000211769 [1,1,0,0,0,0|1,0,0]=3 3018 B12R1.385 C=CCSc1ccc(c(c1)C)N 62a_100000211769_100000210623 [1,1,0,0,0,0|1,0,0]=3 3019 B12R1.385 C=CCSc1ccc(c(c1)C)O 62a_100000210623_100000186361 [1,1,0,0,0,0|0,0,0]=2 3020 B12R1.385 C=CCSc1ccc(c(c1)Cl)Br 62a_100000210623_100012047281 [1,1,0,0,0,0|2,0,0]=4 3021 B12R1.385 C=CCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000210623 [1,1,0,0,0,0|2,0,0]=4 3022 B12R1.385 C=CCSc1ccc(c(c1)Cl)C 62a_100000210623_100011216363 [1,1,0,0,0,0|2,0,0]=4 3023 B12R1.385 C=CCSc1ccc(c(c1)Cl)C 62a_100011216363_100000210623 [1,1,0,0,0,0|2,0,0]=4 3024 B12R1.385 C=CCSc1ccc(c(c1)Cl)Cl 62a_100000210623_100011214914 [1,1,0,0,0,0|2,0,0]=4 3025 B12R1.385 C=CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210623 [1,1,0,0,0,0|2,0,0]=4 3026 B12R1.385 C=CCSc1ccc(c(c1)Cl)F 62a_100000210623_100011215976 [1,1,0,0,0,0|2,0,0]=4 3027 B12R1.385 C=CCSc1ccc(c(c1)Cl)F 62a_100011215976_100000210623 [1,1,0,0,0,0|2,0,0]=4 3028 B12R1.385 C=CCSc1ccc(c(c1)Cl)N 62a_100000210623_100011218065 [1,1,0,0,0,0|2,0,0]=4 3029 B12R1.385 C=CCSc1ccc(c(c1)Cl)N 62a_100011218065_100000210623 [1,1,0,0,0,0|2,0,0]=4 3030 B12R1.385 C=CCSc1ccc(c(c1)Cl)O 62a_100000210623_100012360047 [1,1,0,0,0,0|1,0,0]=3 3031 B12R1.385 C=CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210623 [1,1,0,0,0,0|1,0,0]=3 3032 B12R1.385 C=CCSc1ccc(c(c1)F)Br 62a_100000210623_100000685389 [1,1,0,0,0,0|2,0,0]=4 3033 B12R1.385 C=CCSc1ccc(c(c1)F)Br 62a_100000685389_100000210623 [1,1,0,0,0,0|2,0,0]=4 3034 B12R1.385 C=CCSc1ccc(c(c1)F)C 62a_100000210623_100000720648 [1,1,0,0,0,0|2,0,0]=4 3035 B12R1.385 C=CCSc1ccc(c(c1)F)C 62a_100000720648_100000210623 [1,1,0,0,0,0|2,0,0]=4 3036 B12R1.385 C=CCSc1ccc(c(c1)F)Cl 62a_100000210623_100011216805 [1,1,0,0,0,0|2,0,0]=4 3037 B12R1.385 C=CCSc1ccc(c(c1)F)Cl 62a_100011216805_100000210623 [1,1,0,0,0,0|2,0,0]=4 3038 B12R1.385 C=CCSc1ccc(c(c1)F)F 62a_100000210623_100000703953 [1,1,0,0,0,0|2,0,0]=4 3039 B12R1.385 C=CCSc1ccc(c(c1)F)F 62a_100000703953_100000210623 [1,1,0,0,0,0|2,0,0]=4 3040 B12R1.385 C=CCSc1ccc(c(c1)F)N 62a_100000210623_100011215594 [1,1,0,0,0,0|2,0,0]=4 3041 B12R1.385 C=CCSc1ccc(c(c1)F)N 62a_100011215594_100000210623 [1,1,0,0,0,0|2,0,0]=4 3042 B12R1.385 C=CCSc1ccc(c(c1)F)O 62a_100000185481_100000210623 [1,1,0,0,0,0|1,0,0]=3 3043 B12R1.385 C=CCSc1ccc(c(c1)F)O 62a_100000210623_100000185481 [1,1,0,0,0,0|1,0,0]=3 3044 B12R1.385 C=CCSc1ccc(c(c1)N)Br 62a_100000210623_100000750456 [1,1,0,0,0,0|2,0,0]=4 3045 B12R1.385 C=CCSc1ccc(c(c1)N)Br 62a_100000750456_100000210623 [1,1,0,0,0,0|2,0,0]=4 3046 B12R1.385 C=CCSc1ccc(c(c1)N)C 62a_100000210623_100000761890 [1,1,0,0,0,0|2,0,0]=4 3047 B12R1.385 C=CCSc1ccc(c(c1)N)C 62a_100000761890_100000210623 [1,1,0,0,0,0|2,0,0]=4 3048 B12R1.385 C=CCSc1ccc(c(c1)N)Cl 62a_100000210623_200000761891 [1,1,0,0,0,0|2,0,0]=4 3049 B12R1.385 C=CCSc1ccc(c(c1)N)Cl 62a_200000761891_100000210623 [1,1,0,0,0,0|2,0,0]=4 3050 B12R1.385 C=CCSc1ccc(c(c1)N)F 62a_100000210623_100000740924 [1,1,0,0,0,0|2,0,0]=4 3051 B12R1.385 C=CCSc1ccc(c(c1)N)F 62a_100000740924_100000210623 [1,1,0,0,0,0|2,0,0]=4 3052 B12R1.385 C=CCSc1ccc(c(c1)N)N 62a_100000210623_100011534411 [1,1,0,0,0,0|2,0,0]=4 3053 B12R1.385 C=CCSc1ccc(c(c1)N)N 62a_100000741789_100000210623 [1,1,0,0,0,0|2,0,0]=4 3054 B12R1.385 C=CCSc1ccc(c(c1)N)O 62a_100000210623_100000752626 [1,1,0,0,0,0|1,0,0]=3 3055 B12R1.385 C=CCSc1ccc(c(c1)N)O 62a_100000752626_100000210623 [1,1,0,0,0,0|1,0,0]=3 3056 B12R1.385 C=CCSc1ccc(c(c1)O)Br 62a_100000210623_100012356990 [1,1,0,0,0,0|1,0,0]=3 3057 B12R1.385 C=CCSc1ccc(c(c1)O)Br 62a_100012356990_100000210623 [1,1,0,0,0,0|1,0,0]=3 3058 B12R1.385 C=CCSc1ccc(c(c1)O)C 62a_100000210623_100000685420 [1,1,0,0,0,0|1,0,0]=3 3059 B12R1.385 C=CCSc1ccc(c(c1)O)C 62a_100000685420_100000210623 [1,1,0,0,0,0|1,0,0]=3 3060 B12R1.385 C=CCSc1ccc(c(c1)O)Cl 62a_100000210623_100011356854 [1,1,0,0,0,0|1,0,0]=3 3061 B12R1.385 C=CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210623 [1,1,0,0,0,0|1,0,0]=3 3062 B12R1.385 C=CCSc1ccc(c(c1)O)F 62a_100000210623_100000686035 [1,1,0,0,0,0|1,0,0]=3 3063 B12R1.385 C=CCSc1ccc(c(c1)O)F 62a_100000686035_100000210623 [1,1,0,0,0,0|1,0,0]=3 3064 B12R1.385 C=CCSc1ccc(c(c1)O)N 62a_100000210623_100000739049 [1,1,0,0,0,0|1,0,0]=3 3065 B12R1.385 C=CCSc1ccc(c(c1)O)N 62a_100000739049_100000210623 [1,1,0,0,0,0|1,0,0]=3 3066 B12R1.385 C=CCSc1ccc(c(c1)O)O 62a_100000210623_100009813601 [1,1,0,0,0,0|0,0,0]=2 3067 B12R1.385 C=CCSc1ccc(c(n1)Br)O 62a_100000210623_100000725334 [1,1,0,0,0,0|2,0,0]=4 3068 B12R1.385 C=CCSc1ccc(c(n1)Br)O 62a_100000725334_100000210623 [1,1,0,0,0,0|2,0,0]=4 3069 B12R1.385 C=CCSc1ccc(c(n1)C)Br 62a_100000210623_100012360386 [1,1,0,0,0,0|2,0,0]=4 3070 B12R1.385 C=CCSc1ccc(c(n1)C)Br 62a_100012360386_100000210623 [1,1,0,0,0,0|2,0,0]=4 3071 B12R1.385 C=CCSc1ccc(c(n1)C)C 62a_100000103781_100000210623 [1,1,0,0,0,0|2,0,0]=4 3072 B12R1.385 C=CCSc1ccc(c(n1)C)C 62a_100000210623_100000103781 [1,1,0,0,0,0|2,0,0]=4 3073 B12R1.385 C=CCSc1ccc(c(n1)C)F 62a_100000210623_100009814307 [1,1,0,0,0,0|2,0,0]=4 3074 B12R1.385 C=CCSc1ccc(c(n1)C)F 62a_100009814307_100000210623 [1,1,0,0,0,0|2,0,0]=4 3075 B12R1.385 C=CCSc1ccc(c(n1)C)N 62a_100000210623_100000720120 [1,1,0,0,0,0|2,0,0]=4 3076 B12R1.385 C=CCSc1ccc(c(n1)C)N 62a_100000720120_100000210623 [1,1,0,0,0,0|2,0,0]=4 3077 B12R1.385 C=CCSc1ccc(c(n1)C)O 62a_100000210623_100010233687 [1,1,0,0,0,0|1,0,0]=3 3078 B12R1.385 C=CCSc1ccc(c(n1)C)O 62a_100010233687_100000210623 [1,1,0,0,0,0|1,0,0]=3 3079 B12R1.385 C=CCSc1ccc(c(n1)Cl)O 62a_100000210623_100000721234 [1,1,0,0,0,0|2,0,0]=4 3080 B12R1.385 C=CCSc1ccc(c(n1)F)O 62a_100000210623_100009819667 [1,1,0,0,0,0|2,0,0]=4 3081 B12R1.385 C=CCSc1ccc(c(n1)F)O 62a_100009819667_100000210623 [1,1,0,0,0,0|2,0,0]=4 3082 B12R1.385 C=CCSc1ccc(c(n1)N)O 62a_100000210623_100000685527 [1,1,0,0,0,0|2,0,0]=4 3083 B12R1.385 C=CCSc1ccc(c(n1)N)O 62a_100000685527_100000210623 [1,1,0,0,0,0|2,0,0]=4 3084 B12R1.385 C=CCSc1ccc(c(n1)O)F 62a_100000210623_100010729010 [1,1,0,0,0,0|2,0,0]=4 3085 B12R1.385 C=CCSc1ccc(c(n1)O)N 62a_100000718904_100000210623 [1,1,0,0,0,0|2,0,0]=4 3086 B12R1.385 C=CCSc1cnc(c(c1)C)Br 62a_100000210623_100009816107 [1,1,0,0,0,0|2,0,0]=4 3087 B12R1.385 C=CCSc1cnc(c(c1)C)Br 62a_100009816107_100000210623 [1,1,0,0,0,0|2,0,0]=4 3088 B12R1.385 C=CCSc1cnc(c(c1)C)C 62a_100000210623_100000697892 [1,1,0,0,0,0|2,0,0]=4 3089 B12R1.385 C=CCSc1cnc(c(c1)C)C 62a_100000697892_100000210623 [1,1,0,0,0,0|2,0,0]=4 3090 B12R1.385 C=CCSc1cnc(c(c1)C)Cl 62a_100000210623_100009922867 [1,1,0,0,0,0|2,0,0]=4 3091 B12R1.385 C=CCSc1cnc(c(c1)C)Cl 62a_100009922867_100000210623 [1,1,0,0,0,0|2,0,0]=4 3092 B12R1.385 C=CCSc1cnc(c(c1)C)F 62a_100000210623_100000709442 [1,1,0,0,0,0|2,0,0]=4 3093 B12R1.385 C=CCSc1cnc(c(c1)C)F 62a_100000709442_100000210623 [1,1,0,0,0,0|2,0,0]=4 3094 B12R1.385 C=CCSc1cnc(c(c1)C)N 62a_100000210623_100000684428 [1,1,0,0,0,0|2,0,0]=4 3095 B12R1.385 C=CCSc1cnc(c(c1)C)N 62a_100000684428_100000210623 [1,1,0,0,0,0|2,0,0]=4 3096 B12R1.385 C=CCSc1cnc(c(c1)C)O 62a_100000210623_100000685391 [1,1,0,0,0,0|1,0,0]=3 3097 B12R1.385 C=CCSc1cnc(c(c1)C)O 62a_100000685391_100000210623 [1,1,0,0,0,0|1,0,0]=3 3098 B12R1.385 C=CCSc1cnc(c(c1)Cl)O 62a_100000210623_100010238531 [1,1,0,0,0,0|2,0,0]=4 3099 B12R1.385 C=CCSc1cnc(c(c1)Cl)O 62a_100010238531_100000210623 [1,1,0,0,0,0|2,0,0]=4 3100 B12R1.385 C=CCSc1cnc(c(c1)N)O 62a_100000210623_100000743729 [1,1,0,0,0,0|2,0,0]=4 3101 B12R1.385 C=CCSc1cnc(c(c1)N)O 62a_100000743729_100000210623 [1,1,0,0,0,0|2,0,0]=4 3102 B12R1.385 C=CCSc1cnc(c(c1)O)C 62a_100000210623_100009864810 [1,1,0,0,0,0|2,0,0]=4 3103 B12R1.385 C=CCSc1cnc(c(c1)O)C 62a_100009864810_100000210623 [1,1,0,0,0,0|2,0,0]=4 3104 B12R1.385 C=CCSc1cnc(c(c1)O)F 62a_100000210623_100009819871 [1,1,0,0,0,0|2,0,0]=4 3105 B12R1.385 C=CCSc1cnc(c(c1)O)F 62a_100009819871_100000210623 [1,1,0,0,0,0|2,0,0]=4 3106 B12R1.385 C=CCSc1cnc(c(c1)O)N 62a_100000210623_100009819042 [1,1,0,0,0,0|2,0,0]=4 3107 B12R1.385 C=CCSc1cnc(c(c1)O)N 62a_100009819042_100000210623 [1,1,0,0,0,0|2,0,0]=4 3108 B12R1.385 CCCCc1ccc(c(c1)C)O 271570a_100020621405_100000186361 [1,1,0,0,0,0|0,0,2]=4 3109 B12R1.385 CCCCc1ccc(c(c1)O)O 271570a_100020621405_100009813601 [1,1,0,0,0,0|0,0,2]=4 3110 B12R1.385 CCCNc1ccc(c(c1)C)O 34a_100011218179_100000210303 [1,1,0,0,0,0|0,0,2]=4 3111 B12R1.385 CCCNc1ccc(c(c1)C)O 7a_100011218179_100000210303 [1,1,0,0,0,0|0,0,2]=4 3112 B12R1.385 CCCNc1ccc(c(c1)O)O 34a_100102946323_100000210303 [1,1,0,0,0,0|0,0,2]=4 3113 B12R1.385 CCCOc1ccc(c(c1)C)O 271570a_203496583355_200012361509 [1,1,0,0,0,0|0,0,2]=4 3114 B12R1.385 CCCSc1ccc(c(c1)C)O 62a_100000210303_100000186361 [1,1,0,0,0,0|0,0,2]=4 3115 B12R1.385 CCCSc1ccc(c(c1)O)O 62a_100000210303_100009813601 [1,1,0,0,0,0|0,0,2]=4 3116 B12R1.385 CCNCc1ccc(c(c1)O)O 34a_100000010075_100000210202 [1,1,0,0,0,0|0,0,2]=4 3117 B12R1.385 CNCCc1ccc(c(c1)O)O 34a_100000210387_200000210301 [1,1,0,0,0,0|0,0,2]=4 3118 B12R1.385 CNCCc1ccc(c(c1)O)O 7a_106832991635_200010393615 [1,1,0,0,0,0|0,0,2]=4 3119 B12R1.385 COCSc1ccc(c(c1)C)O 62a_100000766300_100000186361 [1,1,0,0,0,0|1,0,1]=4 3120 B12R1.385 COCSc1ccc(c(c1)O)O 62a_100000766300_100009813601 [1,1,0,0,0,0|1,0,1]=4 3121 B12R1.385 CSCCc1ccc(c(c1)O)O 62a_200000210301_200010393615 [1,1,0,0,0,0|0,0,2]=4 3122 B12R1.385 CSCNc1ccc(c(c1)C)O 34a_100011218179_100011218213 [1,1,0,0,0,0|1,0,1]=4 3123 B12R1.385 CSCNc1ccc(c(c1)O)O 34a_100102946323_100011218213 [1,1,0,0,0,0|1,0,1]=4 3124 B12R1.385 CSCSc1ccc(c(c1)C)O 62a_100011218213_100000186361 [1,1,0,0,0,0|1,0,1]=4 3125 B12R1.385 CSCSc1ccc(c(c1)O)O 62a_100011218213_100009813601 [1,1,0,0,0,0|1,0,1]=4 3126 B12R1.385 Cc1cc(ccc1Br)NCC=O 2230a_100000210723_200015260668 [1,1,0,0,0,0|2,0,0]=4 3127 B12R1.385 Cc1cc(ccc1Br)NCC=O 34a_100000210723_200009817547 [1,1,0,0,0,0|2,0,0]=4 3128 B12R1.385 Cc1cc(ccc1Br)NCC=O 7a_100000210723_200015260668 [1,1,0,0,0,0|2,0,0]=4 3129 B12R1.385 Cc1cc(ccc1Br)OCC=O 34a_100000690111_200009817547 [1,1,0,0,0,0|2,0,0]=4 3130 B12R1.385 Cc1cc(ccc1Br)OCC=O 7a_100000690111_200015260668 [1,1,0,0,0,0|2,0,0]=4 3131 B12R1.385 Cc1cc(ccc1Br)SCC=O 62a_100009813585_200015260668 [1,1,0,0,0,0|2,0,0]=4 3132 B12R1.385 Cc1cc(ccc1Br)SCC=O 62a_200015260668_100009813585 [1,1,0,0,0,0|2,0,0]=4 3133 B12R1.385 Cc1cc(ccc1Cl)NCC=O 2230a_100000187808_200015260668 [1,1,0,0,0,0|2,0,0]=4 3134 B12R1.385 Cc1cc(ccc1Cl)NCC=O 34a_100000187808_200009817547 [1,1,0,0,0,0|2,0,0]=4 3135 B12R1.385 Cc1cc(ccc1Cl)NCC=O 7a_100000187808_200015260668 [1,1,0,0,0,0|2,0,0]=4 3136 B12R1.385 Cc1cc(ccc1Cl)OCC=O 34a_100000211092_200009817547 [1,1,0,0,0,0|2,0,0]=4 3137 B12R1.385 Cc1cc(ccc1Cl)OCC=O 7a_100000211092_200015260668 [1,1,0,0,0,0|2,0,0]=4 3138 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_100000049509_200015260668 [1,1,0,0,0,0|2,0,0]=4 3139 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_200015260668_100000049509 [1,1,0,0,0,0|2,0,0]=4 3140 B12R1.385 Cc1cc(ccc1F)NCC=O 2230a_100000750164_200015260668 [1,1,0,0,0,0|2,0,0]=4 3141 B12R1.385 Cc1cc(ccc1F)NCC=O 34a_100000750164_200009817547 [1,1,0,0,0,0|2,0,0]=4 3142 B12R1.385 Cc1cc(ccc1F)NCC=O 7a_100000750164_200015260668 [1,1,0,0,0,0|2,0,0]=4 3143 B12R1.385 Cc1cc(ccc1F)OCC=O 34a_100000751312_200009817547 [1,1,0,0,0,0|2,0,0]=4 3144 B12R1.385 Cc1cc(ccc1F)OCC=O 7a_100000751312_200015260668 [1,1,0,0,0,0|2,0,0]=4 3145 B12R1.385 Cc1cc(ccc1F)SCC=O 62a_100011218330_200015260668 [1,1,0,0,0,0|2,0,0]=4 3146 B12R1.385 Cc1cc(ccc1F)SCC=O 62a_200015260668_100011218330 [1,1,0,0,0,0|2,0,0]=4 3147 B12R1.385 Cc1cc(ccc1I)NCC=O 34a_100000198070_200009817547 [1,1,0,0,0,0|2,0,0]=4 3148 B12R1.385 Cc1cc(ccc1I)NCC=O 7a_100000198070_200015260668 [1,1,0,0,0,0|2,0,0]=4 3149 B12R1.385 Cc1cc(ccc1I)OCC=O 34a_100000729255_200009817547 [1,1,0,0,0,0|2,0,0]=4 3150 B12R1.385 Cc1cc(ccc1I)OCC=O 7a_100000729255_200015260668 [1,1,0,0,0,0|2,0,0]=4 3151 B12R1.385 Cc1cc(ccc1N)OCC=O 34a_100000756630_200009817547 [1,1,0,0,0,0|2,0,0]=4 3152 B12R1.385 Cc1cc(ccc1N)OCC=O 7a_100000756630_200015260668 [1,1,0,0,0,0|2,0,0]=4 3153 B12R1.385 Cc1cc(ccc1N)SCC=O 62a_100000211769_200015260668 [1,1,0,0,0,0|2,0,0]=4 3154 B12R1.385 Cc1cc(ccc1N)SCC=O 62a_200015260668_100000211769 [1,1,0,0,0,0|2,0,0]=4 3155 B12R1.385 Cc1cc(ccc1O)NCC#N 7a_100011218179_100011215382 [1,1,0,0,0,0|1,0,1]=4 3156 B12R1.385 Cc1cc(ccc1O)NCC=O 34a_100011218179_200009817547 [1,1,0,0,0,0|1,0,0]=3 3157 B12R1.385 Cc1cc(ccc1O)NCC=O 7a_100011218179_200015260668 [1,1,0,0,0,0|1,0,0]=3 3158 B12R1.385 Cc1cc(ccc1O)NCCF 34a_100011218179_100011217306 [1,1,0,0,0,0|1,0,1]=4 3159 B12R1.385 Cc1cc(ccc1O)NCCF 7a_100011218179_100011217306 [1,1,0,0,0,0|1,0,1]=4 3160 B12R1.385 Cc1cc(ccc1O)NCCO 34a_100011218179_100000211926 [1,1,0,0,0,0|1,0,1]=4 3161 B12R1.385 Cc1cc(ccc1O)NCCO 7a_100011218179_100000211926 [1,1,0,0,0,0|1,0,1]=4 3162 B12R1.385 Cc1cc(ccc1O)SCC#N 62a_100011215382_100000186361 [1,1,0,0,0,0|1,0,1]=4 3163 B12R1.385 Cc1cc(ccc1O)SCC=O 62a_200015260668_100000186361 [1,1,0,0,0,0|1,0,0]=3 3164 B12R1.385 Cc1cc(ccc1O)SCCF 62a_100011217306_100000186361 [1,1,0,0,0,0|1,0,1]=4 3165 B12R1.385 Cc1cc(ccc1O)SCCO 62a_100000211926_100000186361 [1,1,0,0,0,0|1,0,1]=4 3166 B12R1.385 Cc1cc(cnc1O)SCC=O 62a_100000685391_200015260668 [1,1,0,0,0,0|2,0,0]=4 3167 B12R1.385 Cc1cc(cnc1O)SCC=O 62a_200015260668_100000685391 [1,1,0,0,0,0|2,0,0]=4 3168 B12R1.385 Cc1cc(ncc1O)SCC=O 62a_200015260668_100000692680 [1,1,0,0,0,0|2,0,0]=4 3169 B12R1.385 Cc1ccc(cc1C)NCC=O 2230a_100000724040_200015260668 [1,1,0,0,0,0|2,0,0]=4 3170 B12R1.385 Cc1ccc(cc1C)NCC=O 34a_100000724040_200009817547 [1,1,0,0,0,0|2,0,0]=4 3171 B12R1.385 Cc1ccc(cc1C)NCC=O 7a_100000724040_200015260668 [1,1,0,0,0,0|2,0,0]=4 3172 B12R1.385 Cc1ccc(cc1C)OCC=O 34a_100000210932_200009817547 [1,1,0,0,0,0|2,0,0]=4 3173 B12R1.385 Cc1ccc(cc1C)OCC=O 7a_100000210932_200015260668 [1,1,0,0,0,0|2,0,0]=4 3174 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_100011215607_200015260668 [1,1,0,0,0,0|2,0,0]=4 3175 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_200015260668_100011215607 [1,1,0,0,0,0|2,0,0]=4 3176 B12R1.385 Cc1ccc(cc1O)NCC=O 34a_100000759471_200009817547 [1,1,0,0,0,0|2,0,0]=4 3177 B12R1.385 Cc1ccc(cc1O)NCC=O 7a_100000759471_200015260668 [1,1,0,0,0,0|2,0,0]=4 3178 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_100000685420_200015260668 [1,1,0,0,0,0|2,0,0]=4 3179 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_200015260668_100000685420 [1,1,0,0,0,0|2,0,0]=4 3180 B12R1.385 Cc1nc(ccc1O)SCC=O 62a_100010233687_200015260668 [1,1,0,0,0,0|2,0,0]=4 3181 B12R1.385 Cc1nc(ccc1O)SCC=O 62a_200015260668_100010233687 [1,1,0,0,0,0|2,0,0]=4 3182 B12R1.385 N#CCSc1ccc(c(c1)O)O 62a_100011215382_100009813601 [1,1,0,0,0,0|1,0,1]=4 3183 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_100000752626_200015260668 [1,1,0,0,0,0|2,0,0]=4 3184 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_200015260668_100000752626 [1,1,0,0,0,0|2,0,0]=4 3185 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_100000739049_200015260668 [1,1,0,0,0,0|2,0,0]=4 3186 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_200015260668_100000739049 [1,1,0,0,0,0|2,0,0]=4 3187 B12R1.385 O=CCNc1ccc(c(c1)Br)O 34a_100011534360_200009817547 [1,1,0,0,0,0|2,0,0]=4 3188 B12R1.385 O=CCNc1ccc(c(c1)Cl)O 34a_100000744943_200009817547 [1,1,0,0,0,0|2,0,0]=4 3189 B12R1.385 O=CCNc1ccc(c(c1)F)O 34a_100011220035_200009817547 [1,1,0,0,0,0|2,0,0]=4 3190 B12R1.385 O=CCNc1ccc(c(c1)F)O 7a_100011220035_200015260668 [1,1,0,0,0,0|2,0,0]=4 3191 B12R1.385 O=CCNc1ccc(c(c1)O)Cl 34a_100011934209_200009817547 [1,1,0,0,0,0|2,0,0]=4 3192 B12R1.385 O=CCNc1ccc(c(c1)O)F 34a_100012017398_200009817547 [1,1,0,0,0,0|2,0,0]=4 3193 B12R1.385 O=CCNc1ccc(c(c1)O)F 7a_100012017398_200015260668 [1,1,0,0,0,0|2,0,0]=4 3194 B12R1.385 O=CCNc1ccc(c(c1)O)O 34a_100102946323_200009817547 [1,1,0,0,0,0|1,0,0]=3 3195 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_100012361655_200015260668 [1,1,0,0,0,0|2,0,0]=4 3196 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_200015260668_100012361655 [1,1,0,0,0,0|2,0,0]=4 3197 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_100012360047_200015260668 [1,1,0,0,0,0|2,0,0]=4 3198 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_200015260668_100012360047 [1,1,0,0,0,0|2,0,0]=4 3199 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_100000185481_200015260668 [1,1,0,0,0,0|2,0,0]=4 3200 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_200015260668_100000185481 [1,1,0,0,0,0|2,0,0]=4 3201 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_100012356990_200015260668 [1,1,0,0,0,0|2,0,0]=4 3202 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_200015260668_100012356990 [1,1,0,0,0,0|2,0,0]=4 3203 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_100011356854_200015260668 [1,1,0,0,0,0|2,0,0]=4 3204 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_200015260668_100011356854 [1,1,0,0,0,0|2,0,0]=4 3205 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_100000686035_200015260668 [1,1,0,0,0,0|2,0,0]=4 3206 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_200015260668_100000686035 [1,1,0,0,0,0|2,0,0]=4 3207 B12R1.385 O=CCSc1ccc(c(c1)O)O 62a_200015260668_100009813601 [1,1,0,0,0,0|1,0,0]=3 3208 B12R1.385 OCCNc1ccc(c(c1)O)O 34a_100102946323_100000211926 [1,1,0,0,0,0|1,0,1]=4 3209 B12R1.385 OCCSc1ccc(c(c1)O)O 62a_100000211926_100009813601 [1,1,0,0,0,0|1,0,1]=4 3210 B12R1.385 Oc1ccc(cc1O)CNCF 34a_100000010075_100015361967 [1,1,0,0,0,0|1,0,1]=4 3211 B12R1.385 Oc1ccc(cc1O)NCCF 34a_100102946323_100011217306 [1,1,0,0,0,0|1,0,1]=4 3212 B12R1.385 Oc1ccc(cc1O)SCCF 62a_100011217306_100009813601 [1,1,0,0,0,0|1,0,1]=4 3213 B12R1.385 [13CH3]NCCc1ccc(c(c1)O)O 34a_100000210387_200025704644 [1,1,0,0,0,0|0,0,2]=4 3214 B12R1.385 [13CH3]SCCc1ccc(c(c1)O)O 62a_200025704644_200010393615 [1,1,0,0,0,0|0,0,2]=4 3215 B12R1.544 C=C=Cc1ccc(c(c1C)C)O 271570a_100015277604_100012353674 [1,1,0,0,0,0|0,0,2]=4 3216 B12R1.544 C=C=Cc1ccc(c(c1F)C)O 271570a_100015277604_100010390934 [1,1,0,0,0,0|0,0,2]=4 3217 B12R1.544 CC=Cc1ccc(c(c1C)C)O 271570a_100016259895_100012353674 [1,1,0,0,0,0|0,0,2]=4 3218 B12R1.544 CC=Cc1ccc(c(c1F)C)O 271570a_100016259895_100010390934 [1,1,0,0,0,0|0,0,2]=4 3219 B12R1.1123 C=C=Cc1cc(c(cc1C)O)C 271570a_100015277604_100000698207 [1,1,0,0,0,0|0,0,2]=4 3220 B12R1.1123 CC=Cc1cc(c(cc1C)O)C 271570a_100016259895_100000698207 [1,1,0,0,0,0|0,0,2]=4 3221 B12R1.56 C=C(C)c1c[nH]c(=O)c(c1)OC 271570a_100000694244_100010125397 [1,1,0,0,0,0|1,0,1]=4 3222 B12R1.56 C=C(C)c1cc(c(cn1)C)OC 271570a_100000694244_100010067687 [1,1,0,0,0,0|2,0,0]=4 3223 B12R1.56 C=C(C)c1cc(c(cn1)F)OC 271570a_100000694244_200010136270 [1,1,0,0,0,0|2,0,0]=4 3224 B12R1.56 C=C(C)c1cc(c(cn1)N)OC 271570a_100000694244_100009887741 [1,1,0,0,0,0|2,0,0]=4 3225 B12R1.56 C=C(C)c1ccc(c(c1)C#N)O 271570a_100000694244_100000687585 [1,1,0,0,0,0|2,0,0]=4 3226 B12R1.56 C=C(C)c1ccc(c(c1)C=O)O 271570a_100000694244_100000186750 [1,1,0,0,0,0|2,0,0]=4 3227 B12R1.56 C=C(C)c1ccc(c(c1)CC)Br 271570a_100000694244_100010244631 [1,1,0,0,0,0|2,0,0]=4 3228 B12R1.56 C=C(C)c1ccc(c(c1)CC)F 271570a_100000694244_100010244625 [1,1,0,0,0,0|2,0,0]=4 3229 B12R1.56 C=C(C)c1ccc(c(c1)CC)N 271570a_100000694244_100000686106 [1,1,0,0,0,0|2,0,0]=4 3230 B12R1.56 C=C(C)c1ccc(c(c1)CC)O 271570a_100000694244_100012338938 [1,1,0,0,0,0|1,0,0]=3 3231 B12R1.56 C=C(C)c1ccc(c(c1)CN)O 271570a_100000694244_100000730032 [1,1,0,0,0,0|2,0,0]=4 3232 B12R1.56 C=C(C)c1ccc(c(c1)CO)O 271570a_100000694244_100000184703 [1,1,0,0,0,0|2,0,0]=4 3233 B12R1.56 C=C(C)c1ccc(c(c1)NC)C 271570a_100000694244_100020629602 [1,1,0,0,0,0|2,0,0]=4 3234 B12R1.56 C=C(C)c1ccc(c(c1)NC)F 271570a_100000694244_100011314990 [1,1,0,0,0,0|2,0,0]=4 3235 B12R1.56 C=C(C)c1ccc(c(c1)NC)N 271570a_100000694244_100000694363 [1,1,0,0,0,0|2,0,0]=4 3236 B12R1.56 C=C(C)c1ccc(c(c1)OC)Br 271570a_100000694244_100012353699 [1,1,0,0,0,0|1,0,0]=3 3237 B12R1.56 C=C(C)c1ccc(c(c1)OC)C 271570a_100000694244_100011830276 [1,1,0,0,0,0|1,0,0]=3 3238 B12R1.56 C=C(C)c1ccc(c(c1)OC)Cl 271570a_100000694244_100011356853 [1,1,0,0,0,0|1,0,0]=3 3239 B12R1.56 C=C(C)c1ccc(c(c1)OC)F 271570a_100000694244_100011934186 [1,1,0,0,0,0|1,0,0]=3 3240 B12R1.56 C=C(C)c1ccc(c(c1)OC)N 271570a_100000694244_100011279103 [1,1,0,0,0,0|1,0,0]=3 3241 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [1,1,0,0,0,0|0,0,0]=2 3242 B12R1.56 C=C(C)c1ccc(c(c1)SC)F 271570a_100000694244_100010341305 [1,1,0,0,0,0|1,1,0]=4 3243 B12R1.56 C=C(C)c1ccc(c(n1)OC)N 271570a_100000694244_100000687816 [1,1,0,0,0,0|2,0,0]=4 3244 B12R1.56 C=C(C)c1ccc(c(n1)OC)O 271570a_100000694244_100010893133 [1,1,0,0,0,0|1,0,0]=3 3245 B12R1.56 C=C(C)c1cnc(c(c1)OC)C 271570a_100000694244_100010254219 [1,1,0,0,0,0|2,0,0]=4 3246 B12R1.56 C=C(C)c1cnc(c(c1)OC)F 271570a_100000694244_100010214931 [1,1,0,0,0,0|2,0,0]=4 3247 B12R1.56 C=C(C)c1cnc(c(c1)OC)N 271570a_100000694244_106354213024 [1,1,0,0,0,0|2,0,0]=4 3248 B12R1.56 C=C(C)c1cnc(c(n1)OC)O 271570a_100000694244_200010365344 [1,1,0,0,0,0|2,0,0]=4 3249 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [1,1,0,0,0,0|1,0,1]=4 3250 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [1,1,0,0,0,0|1,0,1]=4 3251 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [1,1,0,0,0,0|1,0,1]=4 3252 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [1,1,0,0,0,0|1,0,1]=4 3253 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [1,1,0,0,0,0|0,1,1]=4 3254 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 34a_200000187366_200025704644 [1,1,0,0,0,0|1,0,1]=4 3255 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 7a_200000187366_200025704644 [1,1,0,0,0,0|1,0,1]=4 3256 B12R1.56 CNc1cc(ccc1O)C(C)C 34a_200000187366_200000210301 [1,1,0,0,0,0|1,0,1]=4 3257 B12R1.56 CNc1cc(ccc1O)C(C)C 7a_200000187366_200000210301 [1,1,0,0,0,0|1,0,1]=4 3258 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [1,1,0,0,0,0|1,0,1]=4 3259 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [1,1,0,0,0,0|2,0,0]=4 3260 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [1,1,0,0,0,0|2,0,0]=4 3261 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [1,1,0,0,0,0|1,0,1]=4 3262 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [1,1,0,0,0,0|1,0,1]=4 3263 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [1,1,0,0,0,0|1,0,1]=4 3264 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [1,1,0,0,0,0|1,0,1]=4 3265 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [1,1,0,0,0,0|1,0,1]=4 3266 B12R1.56 COc1cc(ccc1C)C(C)C 34a_100000212073_200000210301 [1,1,0,0,0,0|1,0,1]=4 3267 B12R1.56 COc1cc(ccc1C)C(C)C 7a_100000212073_200000210301 [1,1,0,0,0,0|1,0,1]=4 3268 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [1,1,0,0,0,0|1,0,1]=4 3269 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [1,1,0,0,0,0|1,0,1]=4 3270 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [1,1,0,0,0,0|1,0,1]=4 3271 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [1,1,0,0,0,0|1,0,1]=4 3272 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [1,1,0,0,0,0|1,0,1]=4 3273 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [1,1,0,0,0,0|1,0,1]=4 3274 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [1,1,0,0,0,0|1,0,1]=4 3275 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [1,1,0,0,0,0|1,0,1]=4 3276 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [1,1,0,0,0,0|2,0,0]=4 3277 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [1,1,0,0,0,0|2,0,0]=4 3278 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [1,1,0,0,0,0|2,0,0]=4 3279 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [1,1,0,0,0,0|0,0,1]=3 3280 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [1,1,0,0,0,0|0,0,1]=3 3281 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [1,1,0,0,0,0|1,0,0]=3 3282 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [1,1,0,0,0,0|0,0,1]=3 3283 B12R1.56 COc1cc(ccc1O)C(C)C 271570a_203496583355_100021623167 [1,1,0,0,0,0|0,0,1]=3 3284 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [1,1,0,0,0,0|0,1,1]=4 3285 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 34a_100000212073_200025704644 [1,1,0,0,0,0|1,0,1]=4 3286 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 7a_100000212073_200025704644 [1,1,0,0,0,0|1,0,1]=4 3287 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [1,1,0,0,0,0|2,0,0]=4 3288 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [1,1,0,0,0,0|2,0,0]=4 3289 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [1,1,0,0,0,0|2,0,0]=4 3290 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [1,1,0,0,0,0|2,0,0]=4 3291 B12R1.78 C=Cc1cc(c(cn1)C#N)OC 271570a_100011290941_100009830018 [1,1,0,0,0,0|2,0,0]=4 3292 B12R1.78 C=Cc1cc(c(cn1)CO)OC 271570a_100011290941_100010714672 [1,1,0,0,0,0|1,0,0]=3 3293 B12R1.78 C=Cc1cc(c(nn1)OC)OC 271570a_100011290941_200000095610 [1,1,0,0,0,0|2,0,0]=4 3294 B12R1.78 C=Cc1ccc(c(c1)C#N)OC 271570a_100011290941_100000188252 [1,1,0,0,0,0|2,0,0]=4 3295 B12R1.78 C=Cc1ccc(c(c1)C=O)OC 271570a_100011290941_100000170026 [1,1,0,0,0,0|2,0,0]=4 3296 B12R1.78 C=Cc1ccc(c(c1)CC)C=O 271570a_100011290941_100010209654 [1,1,0,0,0,0|1,0,1]=4 3297 B12R1.78 C=Cc1ccc(c(c1)CC)NN 271570a_100011290941_100000700371 [1,1,0,0,0,0|2,0,0]=4 3298 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [1,1,0,0,0,0|1,0,0]=3 3299 B12R1.78 C=Cc1ccc(c(c1)CN)OC 271570a_100011290941_100000690498 [1,1,0,0,0,0|2,0,0]=4 3300 B12R1.78 C=Cc1ccc(c(c1)CO)CO 271570a_100011290941_100000719600 [1,1,0,0,0,0|2,0,0]=4 3301 B12R1.78 C=Cc1ccc(c(c1)CO)OC 271570a_100011290941_100000204679 [1,1,0,0,0,0|2,0,0]=4 3302 B12R1.78 C=Cc1ccc(c(c1)NC)C#N 271570a_100011290941_200012356631 [1,1,0,0,0,0|2,0,0]=4 3303 B12R1.78 C=Cc1ccc(c(c1)OC)C#N 271570a_100011290941_100000694671 [1,1,0,0,0,0|1,0,0]=3 3304 B12R1.78 C=Cc1ccc(c(c1)OC)C=O 271570a_100011290941_100000697075 [1,1,0,0,0,0|0,0,1]=3 3305 B12R1.78 C=Cc1ccc(c(c1)OC)CC 271570a_100011290941_200010710398 [1,1,0,0,0,0|1,0,0]=3 3306 B12R1.78 C=Cc1ccc(c(c1)OC)CO 271570a_100011290941_100011277633 [1,1,0,0,0,0|0,0,0]=2 3307 B12R1.78 C=Cc1ccc(c(c1)OC)OC 271570a_100011290941_100000187503 [1,1,0,0,0,0|0,0,0]=2 3308 B12R1.78 C=Cc1ccc(c(c1)OC)OC 34a_100011217988_200000210301 [1,1,0,0,0,0|0,0,0]=2 3309 B12R1.78 C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100011217988_200025704644 [1,1,0,0,0,0|0,0,0]=2 3310 B12R1.78 C=Cc1ccc(c(c1)OC)SC 271570a_100011290941_200011001119 [1,1,0,0,0,0|0,1,0]=3 3311 B12R1.78 C=Cc1ccc(c(c1)SC)OC 271570a_100011290941_200009892704 [1,1,0,0,0,0|0,1,0]=3 3312 B12R1.78 C=Cc1ccc(c(n1)OC)C#N 271570a_100011290941_100000708423 [1,1,0,0,0,0|2,0,0]=4 3313 B12R1.78 C=Cc1ccc(c(n1)OC)C=O 271570a_100011290941_100009864722 [1,1,0,0,0,0|1,0,1]=4 3314 B12R1.78 C=Cc1ccc(c(n1)OC)CN 271570a_100011290941_100015687481 [1,1,0,0,0,0|2,0,0]=4 3315 B12R1.78 C=Cc1ccc(c(n1)OC)CO 271570a_100011290941_100010988397 [1,1,0,0,0,0|1,0,0]=3 3316 B12R1.78 C=Cc1ccc(c(n1)OC)OC 271570a_100011290941_100010214848 [1,1,0,0,0,0|1,0,0]=3 3317 B12R1.78 C=Cc1ccc(cc1OC)C=O 271570a_100011290941_100010244714 [1,1,0,0,0,0|2,0,0]=4 3318 B12R1.78 C=Cc1ccc(cc1OC)CC 271570a_100011290941_200010710389 [1,1,0,0,0,0|1,0,1]=4 3319 B12R1.78 C=Cc1ccc(cc1OC)CO 271570a_100011290941_100010234685 [1,1,0,0,0,0|2,0,0]=4 3320 B12R1.78 C=Cc1cnc(c(c1)OC)C#N 271570a_100011290941_100000719880 [1,1,0,0,0,0|2,0,0]=4 3321 B12R1.78 C=Cc1cnc(c(c1)OC)C=O 271570a_100011290941_100010246152 [1,1,0,0,0,0|1,0,1]=4 3322 B12R1.78 C=Cc1cnc(c(c1)OC)CO 271570a_100011290941_200010246159 [1,1,0,0,0,0|1,0,0]=3 3323 B12R1.78 C=Cc1cnc(c(c1)OC)OC 271570a_100011290941_100010234541 [1,1,0,0,0,0|1,0,0]=3 3324 B12R1.78 C=Cc1cnc(c(n1)OC)OC 271570a_100011290941_100010132954 [1,1,0,0,0,0|2,0,0]=4 3325 B12R1.78 C=Cc1ncc(c(n1)OC)CO 271570a_100011290941_200011024631 [1,1,0,0,0,0|2,0,0]=4 3326 B12R1.78 C=Cc1ncc(c(n1)OC)OC 271570a_100011290941_100010280452 [1,1,0,0,0,0|2,0,0]=4 3327 B12R1.78 CCc1ccc(c(c1)NC)OC 2230a_100012035449_200000210301 [1,1,0,0,0,0|1,0,1]=4 3328 B12R1.78 CCc1ccc(c(c1)NC)OC 34a_100012035449_200000210301 [1,1,0,0,0,0|1,0,1]=4 3329 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 2230a_100012035449_200025704644 [1,1,0,0,0,0|1,0,1]=4 3330 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 34a_100012035449_200025704644 [1,1,0,0,0,0|1,0,1]=4 3331 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [1,1,0,0,0,0|0,0,1]=3 3332 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [1,1,0,0,0,0|0,0,1]=3 3333 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [1,1,0,0,0,0|0,0,1]=3 3334 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [1,1,0,0,0,0|0,0,1]=3 3335 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [1,1,0,0,0,0|0,0,1]=3 3336 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [1,1,0,0,0,0|0,0,1]=3 3337 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200000210301_200010710389 [1,1,0,0,0,0|0,1,1]=4 3338 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200010710389_200000210301 [1,1,0,0,0,0|0,1,1]=4 3339 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200010710389_200025704644 [1,1,0,0,0,0|0,1,1]=4 3340 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_200010710389 [1,1,0,0,0,0|0,1,1]=4 3341 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [1,1,0,0,0,0|0,0,1]=3 3342 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [1,1,0,0,0,0|0,0,1]=3 3343 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_100010062400_200000210301 [1,1,0,0,0,0|0,1,1]=4 3344 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_200000210301_100010062400 [1,1,0,0,0,0|0,1,1]=4 3345 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_100010062400_200025704644 [1,1,0,0,0,0|0,1,1]=4 3346 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100010062400 [1,1,0,0,0,0|0,1,1]=4 3347 B12R1.78 CNc1cc(ccc1OC)CO 2230a_100011269841_200000210301 [1,1,0,0,0,0|2,0,0]=4 3348 B12R1.78 CNc1cc(ccc1OC)CO 34a_100011269841_200000210301 [1,1,0,0,0,0|2,0,0]=4 3349 B12R1.78 CNc1ccc(c(c1)OC)CO 34a_100012183141_200000210301 [1,1,0,0,0,0|1,0,1]=4 3350 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [1,1,0,0,0,0|1,0,1]=4 3351 B12R1.78 CNc1ccc(cc1OC)CO 2230a_100000087641_200000210301 [1,1,0,0,0,0|2,0,0]=4 3352 B12R1.78 CNc1ccc(cc1OC)CO 34a_100000087641_200000210301 [1,1,0,0,0,0|2,0,0]=4 3353 B12R1.78 COc1cc(ccc1CO)CO 34a_200010669990_200000210301 [1,1,0,0,0,0|1,0,0]=3 3354 B12R1.78 COc1cc(ccc1CO)N[13CH3] 34a_100012183141_200025704644 [1,1,0,0,0,0|1,0,1]=4 3355 B12R1.78 COc1cc(ccc1CO)O[13CH3] 34a_200000116926_200025704644 [1,1,0,0,0,0|1,0,1]=4 3356 B12R1.78 COc1cc(ccc1CO)SC 62a_100011277633_200000210301 [1,1,0,0,0,0|1,0,1]=4 3357 B12R1.78 COc1cc(ccc1CO)SC 62a_200000210301_100011277633 [1,1,0,0,0,0|1,0,1]=4 3358 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_100011277633_200025704644 [1,1,0,0,0,0|1,0,1]=4 3359 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_200025704644_100011277633 [1,1,0,0,0,0|1,0,1]=4 3360 B12R1.78 COc1cc(ccc1N[13CH3])CO 2230a_100000087641_200025704644 [1,1,0,0,0,0|2,0,0]=4 3361 B12R1.78 COc1cc(ccc1N[13CH3])CO 34a_100000087641_200025704644 [1,1,0,0,0,0|2,0,0]=4 3362 B12R1.78 COc1cc(ccc1O[13CH3])C#N 34a_100000184589_200025704644 [1,1,0,0,0,0|1,0,1]=4 3363 B12R1.78 COc1cc(ccc1O[13CH3])C#N 7a_100000184589_200025704644 [1,1,0,0,0,0|1,0,1]=4 3364 B12R1.78 COc1cc(ccc1O[13CH3])CN 34a_100000185554_200025704644 [1,1,0,0,0,0|1,0,0]=3 3365 B12R1.78 COc1cc(ccc1SC)C=O 62a_100010244714_200000210301 [1,1,0,0,0,0|1,1,0]=4 3366 B12R1.78 COc1cc(ccc1SC)C=O 62a_200000210301_100010244714 [1,1,0,0,0,0|1,1,0]=4 3367 B12R1.78 COc1cc(ccc1SC)CO 62a_100010234685_200000210301 [1,1,0,0,0,0|1,1,0]=4 3368 B12R1.78 COc1cc(ccc1SC)CO 62a_200000210301_100010234685 [1,1,0,0,0,0|1,1,0]=4 3369 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_100010244714_200025704644 [1,1,0,0,0,0|1,1,0]=4 3370 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_200025704644_100010244714 [1,1,0,0,0,0|1,1,0]=4 3371 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_100010234685_200025704644 [1,1,0,0,0,0|1,1,0]=4 3372 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_200025704644_100010234685 [1,1,0,0,0,0|1,1,0]=4 3373 B12R1.78 COc1ccc(c(c1)OC)CO 34a_200000116926_200000210301 [1,1,0,0,0,0|1,0,1]=4 3374 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [1,1,0,0,0,0|1,0,1]=4 3375 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [1,1,0,0,0,0|1,0,1]=4 3376 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [1,1,0,0,0,0|1,0,1]=4 3377 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [1,1,0,0,0,0|1,0,1]=4 3378 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [1,1,0,0,0,0|1,0,1]=4 3379 B12R1.78 COc1ccc(cc1N[13CH3])CO 2230a_100011269841_200025704644 [1,1,0,0,0,0|2,0,0]=4 3380 B12R1.78 COc1ccc(cc1N[13CH3])CO 34a_100011269841_200025704644 [1,1,0,0,0,0|2,0,0]=4 3381 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000184589_200000210301 [1,1,0,0,0,0|1,0,1]=4 3382 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000188611_200000210301 [1,1,0,0,0,0|1,0,1]=4 3383 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000184589_200000210301 [1,1,0,0,0,0|1,0,1]=4 3384 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000188611_200000210301 [1,1,0,0,0,0|1,0,1]=4 3385 B12R1.78 COc1ccc(cc1OC)CN 34a_100000185554_200000210301 [1,1,0,0,0,0|1,0,0]=3 3386 B12R1.78 COc1ccc(cc1OC)CN 34a_100000740000_200000210301 [1,1,0,0,0,0|1,0,0]=3 3387 B12R1.78 COc1ccc(cc1OC)CO 34a_100011215239_200000210301 [1,1,0,0,0,0|1,0,0]=3 3388 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [1,1,0,0,0,0|1,0,1]=4 3389 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [1,1,0,0,0,0|1,0,1]=4 3390 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [1,1,0,0,0,0|1,0,1]=4 3391 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [1,1,0,0,0,0|1,0,1]=4 3392 B12R1.78 COc1ccc(cc1O[13CH3])C#N 34a_100000188611_200025704644 [1,1,0,0,0,0|1,0,1]=4 3393 B12R1.78 COc1ccc(cc1O[13CH3])C#N 7a_100000188611_200025704644 [1,1,0,0,0,0|1,0,1]=4 3394 B12R1.78 COc1ccc(cc1O[13CH3])CN 34a_100000740000_200025704644 [1,1,0,0,0,0|1,0,0]=3 3395 B12R1.78 COc1ccc(cc1O[13CH3])CO 34a_100011215239_200025704644 [1,1,0,0,0,0|1,0,0]=3 3396 B12R1.78 COc1ccc(cc1SC)C=O 62a_100000173361_200000210301 [1,1,0,0,0,0|1,1,0]=4 3397 B12R1.78 COc1ccc(cc1SC)C=O 62a_200000210301_100000173361 [1,1,0,0,0,0|1,1,0]=4 3398 B12R1.78 COc1ccc(cc1SC)CN 62a_100159240714_200000210301 [1,1,0,0,0,0|1,1,0]=4 3399 B12R1.78 COc1ccc(cc1SC)CN 62a_200000210301_100159240714 [1,1,0,0,0,0|1,1,0]=4 3400 B12R1.78 COc1ccc(cc1SC)CO 62a_100000246451_200000210301 [1,1,0,0,0,0|1,1,0]=4 3401 B12R1.78 COc1ccc(cc1SC)CO 62a_200000210301_100000246451 [1,1,0,0,0,0|1,1,0]=4 3402 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_100000173361_200025704644 [1,1,0,0,0,0|1,1,0]=4 3403 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173361 [1,1,0,0,0,0|1,1,0]=4 3404 B12R1.78 COc1ccc(cc1S[13CH3])CN 62a_100159240714_200025704644 [1,1,0,0,0,0|1,1,0]=4 3405 B12R1.78 COc1ccc(cc1S[13CH3])CN 62a_200025704644_100159240714 [1,1,0,0,0,0|1,1,0]=4 3406 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_100000246451_200025704644 [1,1,0,0,0,0|1,1,0]=4 3407 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_200025704644_100000246451 [1,1,0,0,0,0|1,1,0]=4 3408 B12R1.78 CSc1cc(ccc1CO)CO 62a_100010881536_200000210301 [1,1,0,0,0,0|1,1,0]=4 3409 B12R1.78 CSc1cc(ccc1CO)CO 62a_200000210301_100010881536 [1,1,0,0,0,0|1,1,0]=4 3410 B12R1.78 [13CH3]Oc1cc(ccc1CO)CO 34a_200010669990_200025704644 [1,1,0,0,0,0|1,0,0]=3 3411 B12R1.78 [13CH3]Sc1cc(ccc1CO)CO 62a_100010881536_200025704644 [1,1,0,0,0,0|1,1,0]=4 3412 B12R1.78 [13CH3]Sc1cc(ccc1CO)CO 62a_200025704644_100010881536 [1,1,0,0,0,0|1,1,0]=4 3413 B12R1.300 C=Cc1cc(c(c(c1)C#N)O)C 271570a_100011290941_100010195408 [1,1,0,0,0,0|2,0,0]=4 3414 B12R1.300 C=Cc1cc(c(c(c1)C=O)O)F 271570a_100011290941_100011217654 [1,1,0,0,0,0|2,0,0]=4 3415 B12R1.300 C=Cc1cc(c(c(c1)CC)N)C 271570a_100011290941_200000186424 [1,1,0,0,0,0|2,0,0]=4 3416 B12R1.300 C=Cc1cc(c(c(c1)CC)O)C 271570a_100011290941_100010659108 [1,1,0,0,0,0|1,0,0]=3 3417 B12R1.300 C=Cc1cc(c(c(c1)OC)F)C 271570a_100011290941_100010271686 [1,1,0,0,0,0|1,0,0]=3 3418 B12R1.300 C=Cc1cc(c(c(c1)OC)F)F 271570a_100011290941_100011218012 [1,1,0,0,0,0|1,0,0]=3 3419 B12R1.300 C=Cc1cc(c(c(c1)OC)F)O 271570a_100011290941_200015524394 [1,1,0,0,0,0|1,0,0]=3 3420 B12R1.300 C=Cc1cc(c(c(c1)OC)N)C 271570a_100011290941_100000741850 [1,1,0,0,0,0|1,0,0]=3 3421 B12R1.300 COc1cc(c(c(c1)OC)O)F 271570a_203496583355_200009812871 [1,1,0,0,0,0|1,0,1]=4 3422 B12R1.300 COc1cc(cc(c1O)O)C#N 271570a_203496583355_100000188612 [1,1,0,0,0,0|1,0,1]=4 3423 B12R1.300 COc1cc(cc(c1O)O)C=O 271570a_203496583355_100000184534 [1,1,0,0,0,0|1,0,0]=3 3424 B12R1.300 COc1cc(cc(c1O)O)CO 271570a_203496583355_200000022573 [1,1,0,0,0,0|1,0,0]=3 3425 B12R1.300 COc1cc(cc(c1O)O)SC 62a_200000210301_200159242197 [1,1,0,0,0,0|1,0,1]=4 3426 B12R1.300 COc1cc(cc(c1O)O)S[13CH3] 62a_200025704644_200159242197 [1,1,0,0,0,0|1,0,1]=4 3427 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_100010295671_200000210301 [1,1,0,0,0,0|1,1,0]=4 3428 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_200000210301_100010295671 [1,1,0,0,0,0|1,1,0]=4 3429 B12R1.300 CSc1cc(cc(c1O)O)C=O 62a_200000210301_100000687232 [1,1,0,0,0,0|1,1,0]=4 3430 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_100010295671_200025704644 [1,1,0,0,0,0|1,1,0]=4 3431 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_200025704644_100010295671 [1,1,0,0,0,0|1,1,0]=4 3432 B12R1.300 [13CH3]Sc1cc(cc(c1O)O)C=O 62a_200025704644_100000687232 [1,1,0,0,0,0|1,1,0]=4 3433 B12R1.449 C=Cc1cc(c(cc1Br)Br)OC 271570a_100011290941_200014006352 [1,1,0,0,0,0|1,0,0]=3 3434 B12R1.449 C=Cc1cc(c(cc1C)F)OC 271570a_100011290941_100011009880 [1,1,0,0,0,0|1,0,0]=3 3435 B12R1.449 C=Cc1cc(c(cc1C)N)OC 271570a_100011290941_100010141321 [1,1,0,0,0,0|1,0,0]=3 3436 B12R1.449 C=Cc1cc(c(cc1F)Cl)OC 271570a_100011290941_100010739614 [1,1,0,0,0,0|1,0,0]=3 3437 B12R1.449 C=Cc1cc(c(cc1F)F)OC 271570a_100011290941_200015541288 [1,1,0,0,0,0|1,0,0]=3 3438 B12R1.449 C=Cc1cc(c(cc1F)F)SC 62a_100016015529_200000210301 [1,1,0,0,0,0|1,1,0]=4 3439 B12R1.449 C=Cc1cc(c(cc1F)F)SC 62a_200000210301_100016015529 [1,1,0,0,0,0|1,1,0]=4 3440 B12R1.449 C=Cc1cc(c(cc1F)F)S[13CH3] 62a_100016015529_200025704644 [1,1,0,0,0,0|1,1,0]=4 3441 B12R1.449 C=Cc1cc(c(cc1F)F)S[13CH3] 62a_200025704644_100016015529 [1,1,0,0,0,0|1,1,0]=4 3442 B12R1.449 C=Cc1cc(c(cc1F)N)NC 271570a_100011290941_100013631271 [1,1,0,0,0,0|2,0,0]=4 3443 B12R1.449 C=Cc1cc(c(cc1F)N)OC 271570a_100011290941_100012766639 [1,1,0,0,0,0|1,0,0]=3 3444 B12R1.449 C=Cc1cc(c(cc1F)O)C=O 271570a_100011290941_100010175118 [1,1,0,0,0,0|2,0,0]=4 3445 B12R1.449 C=Cc1cc(c(cc1F)O)OC 271570a_100011290941_100010189133 [1,1,0,0,0,0|0,0,0]=2 3446 B12R1.449 C=Cc1cc(c(cc1N)C)OC 271570a_100011290941_200010584344 [1,1,0,0,0,0|1,0,0]=3 3447 B12R1.449 C=Cc1cc(c(cc1N)F)OC 271570a_100011290941_100010365326 [1,1,0,0,0,0|1,0,0]=3 3448 B12R1.449 C=Cc1cc(c(cc1O)O)C=O 271570a_100011290941_200010132312 [1,1,0,0,0,0|2,0,0]=4 3449 B12R1.449 C=Cc1cc(c(nc1C)N)OC 271570a_100011290941_200010892190 [1,1,0,0,0,0|2,0,0]=4 3450 B12R1.449 CCc1cc(c(cc1Br)F)OC 34a_100011156610_200000210301 [1,1,0,0,0,0|1,0,1]=4 3451 B12R1.449 CCc1cc(c(cc1Br)F)OC 7a_100011156610_200000210301 [1,1,0,0,0,0|1,0,1]=4 3452 B12R1.449 CCc1cc(c(cc1Br)F)O[13CH3] 34a_100011156610_200025704644 [1,1,0,0,0,0|1,0,1]=4 3453 B12R1.449 CCc1cc(c(cc1Br)F)O[13CH3] 7a_100011156610_200025704644 [1,1,0,0,0,0|1,0,1]=4 3454 B12R1.449 COc1cc(c(cc1F)O)C=O 271570a_203496583355_100010366953 [1,1,0,0,0,0|2,0,0]=4 3455 B12R1.449 COc1cc(c(cc1O)F)C=O 271570a_203496583355_100000695681 [1,1,0,0,0,0|1,0,0]=3 3456 B12R1.449 COc1cc(c(cc1O)F)OC 271570a_203496583355_100010141368 [1,1,0,0,0,0|1,0,1]=4 3457 B12R1.449 COc1cc(c(cc1O)F)SC 62a_200000210301_100010189133 [1,1,0,0,0,0|1,0,1]=4 3458 B12R1.449 COc1cc(c(cc1O)F)S[13CH3] 62a_200025704644_100010189133 [1,1,0,0,0,0|1,0,1]=4 3459 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100000741691 [1,1,0,0,0,0|1,0,0]=3 3460 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100010762608 [1,1,0,0,0,0|1,0,0]=3 3461 B12R1.449 CSc1cc(c(cc1O)O)C=O 62a_200000210301_200010132312 [1,1,0,0,0,0|1,1,0]=4 3462 B12R1.449 [13CH3]Sc1cc(c(cc1O)O)C=O 62a_200025704644_200010132312 [1,1,0,0,0,0|1,1,0]=4 3463 B12R1.453 C=C(C)c1cc(ccc1O)C=O 271570a_100000694244_100000184552 [1,1,0,0,0,0|2,0,0]=4 3464 B12R1.453 C=C(C)c1cc(ccc1O)CC 271570a_100000694244_100012339963 [1,1,0,0,0,0|1,0,1]=4 3465 B12R1.453 C=C(C)c1cc(ccc1O)CO 271570a_100000694244_100011191544 [1,1,0,0,0,0|2,0,0]=4 3466 B12R1.453 C=Cc1ccc(c(c1)B(O)O)O 271570a_100011290941_200009814749 [1,1,0,0,0,0|2,0,0]=4 3467 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)C 271570a_100011290941_100012706819 [1,1,0,0,0,0|2,0,0]=4 3468 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100011290941_100010712560 [1,1,0,0,0,0|2,0,0]=4 3469 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)F 271570a_100011290941_100000689017 [1,1,0,0,0,0|2,0,0]=4 3470 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)N 271570a_100011290941_100000695420 [1,1,0,0,0,0|2,0,0]=4 3471 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [1,1,0,0,0,0|1,0,0]=3 3472 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)O 271570a_100011290941_100000192807 [1,1,0,0,0,0|2,0,0]=4 3473 B12R1.453 C=Cc1ccc(c(c1)C(C)C)F 271570a_100011290941_200053017515 [1,1,0,0,0,0|2,0,0]=4 3474 B12R1.453 C=Cc1ccc(c(c1)C(C)C)N 271570a_100011290941_100000694223 [1,1,0,0,0,0|2,0,0]=4 3475 B12R1.453 C=Cc1ccc(c(c1)C(C)C)O 271570a_100011290941_100000691460 [1,1,0,0,0,0|1,0,0]=3 3476 B12R1.453 C=Cc1ccc(c(c1)C(C)O)F 271570a_100011290941_100011943926 [1,1,0,0,0,0|2,0,0]=4 3477 B12R1.453 C=Cc1ccc(c(c1)N(C)C)F 271570a_100011290941_100010288836 [1,1,0,0,0,0|2,0,0]=4 3478 B12R1.453 CC(=O)c1cc(ccc1O)CO 1458a_200000045694_200000210301 [1,1,0,0,0,0|2,0,0]=4 3479 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [1,1,0,0,0,0|1,0,1]=4 3480 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [1,1,0,0,0,0|1,0,1]=4 3481 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)CO 1458a_200000045694_200025704644 [1,1,0,0,0,0|2,0,0]=4 3482 B12R1.654 C=Cc1ccc(c(c1F)OC)Cl 271570a_100011290941_200135222481 [1,1,0,0,0,0|1,0,0]=3 3483 B12R1.654 C=Cc1ccc(c(c1F)OC)N 271570a_100011290941_100010734149 [1,1,0,0,0,0|1,0,0]=3 3484 B12R1.654 C=Cc1ccc(c(c1F)SC)F 271570a_100011290941_202125771753 [1,1,0,0,0,0|1,1,0]=4 3485 B12R1.654 COc1c(ccc(c1F)C#N)O 271570a_203496583355_200010764284 [1,1,0,0,0,0|1,0,1]=4 3486 B12R1.654 COc1c(ccc(c1F)C=O)O 271570a_203496583355_200010981996 [1,1,0,0,0,0|1,0,0]=3 3487 B12R1.654 COc1ccc(c(c1C)OC)O 271570a_203496583355_100010234078 [1,1,0,0,0,0|1,0,1]=4 3488 B12R1.654 COc1ccc(c(c1F)OC)O 271570a_203496583355_200010341284 [1,1,0,0,0,0|1,0,1]=4 3489 B14R1.41 COc1cc(ccc1O)C(=C(C)C)C 271570a_200000049429_100000694246 [0,2,0,0,0,0|0,0,2]=4 3490 B14R1.41 COc1cc(ccc1O)C(O)C(=O)C 1458a_100000036414_200000210301 [0,2,0,0,0,0|0,0,1]=3 3491 B14R1.41 COc1cc(ccc1O)C(O)C(=O)[13CH3] 1458a_100000036414_200025704644 [0,2,0,0,0,0|0,0,1]=3 3492 B14R1.626 C#CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000184674 [0,2,0,0,0,0|0,0,2]=4 3493 B14R1.626 C=CCC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_100000210623 [0,2,0,0,0,0|2,0,0]=4 3494 B14R1.626 C=CCC(=O)c1ccc(c(c1)CC)Br 1458a_100010152358_100000210623 [0,2,0,0,0,0|2,0,0]=4 3495 B14R1.626 C=CCC(=O)c1ccc(c(c1)CC)Cl 1458a_100000102533_100000210623 [0,2,0,0,0,0|2,0,0]=4 3496 B14R1.626 C=CCC(=O)c1ccc(c(c1)CC)F 1458a_100009883079_100000210623 [0,2,0,0,0,0|2,0,0]=4 3497 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210623 [0,2,0,0,0,0|1,0,0]=3 3498 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210623 [0,2,0,0,0,0|1,0,0]=3 3499 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210623 [0,2,0,0,0,0|1,0,0]=3 3500 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210623 [0,2,0,0,0,0|1,0,0]=3 3501 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210623 [0,2,0,0,0,0|1,0,0]=3 3502 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210623 [0,2,0,0,0,0|0,0,0]=2 3503 B14R1.626 C=CCN(C)c1ccc(c(c1)OC)F 2230a_200012002703_100000210623 [0,2,0,0,0,0|1,0,0]=3 3504 B14R1.626 C=CCN(C)c1ccc(c(c1)OC)F 269982a_200012002703_100000210623 [0,2,0,0,0,0|1,0,0]=3 3505 B14R1.626 C=CCN(C)c1ccc(c(c1)OC)F 34a_200012002703_100015514636 [0,2,0,0,0,0|1,0,0]=3 3506 B14R1.626 C=CCN(C)c1ccc(c(c1)OC)F 38a_200012002703_100000210623 [0,2,0,0,0,0|1,0,0]=3 3507 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210303 [0,2,0,0,0,0|0,0,2]=4 3508 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)O 7a_106832991635_100010206313 [0,2,0,0,0,0|1,0,1]=4 3509 B14R1.626 COc1cc(ccc1F)N(C)CC=O 2230a_200012002703_200015260668 [0,2,0,0,0,0|2,0,0]=4 3510 B14R1.626 COc1cc(ccc1F)N(C)CC=O 269982a_200012002703_200015260668 [0,2,0,0,0,0|2,0,0]=4 3511 B14R1.626 COc1cc(ccc1F)N(C)CC=O 34a_200012002703_200009817547 [0,2,0,0,0,0|2,0,0]=4 3512 B14R1.626 COc1cc(ccc1O)C(=O)CC#N 1458a_100000687070_100011214920 [0,2,0,0,0,0|1,0,1]=4 3513 B14R1.626 COc1cc(ccc1O)C(=O)CCF 1458a_100000687070_100011217306 [0,2,0,0,0,0|1,0,1]=4 3514 B14R1.626 COc1cc(ccc1O)C(=O)CCO 1458a_100000687070_100000211926 [0,2,0,0,0,0|1,0,1]=4 3515 B14R1.626 COc1cc(ccc1O)C(=O)CSC 62a_100010206313_200000210301 [0,2,0,0,0,0|1,0,1]=4 3516 B14R1.626 COc1cc(ccc1O)C(=O)CS[13CH3] 62a_100010206313_200025704644 [0,2,0,0,0,0|1,0,1]=4 3517 B14R1.1864 CCC(O)c1ccc(c(c1)OC)OC 34a_200000015950_200000210301 [0,2,0,0,0,0|0,0,2]=4 3518 B14R1.1864 CCC(O)c1ccc(c(c1)OC)OC 7a_200000015950_200000210301 [0,2,0,0,0,0|0,0,2]=4 3519 B14R1.1864 CCC(O)c1ccc(c(c1)OC)O[13CH3] 34a_200000015950_200025704644 [0,2,0,0,0,0|0,0,2]=4 3520 B14R1.1864 CCC(O)c1ccc(c(c1)OC)O[13CH3] 7a_200000015950_200025704644 [0,2,0,0,0,0|0,0,2]=4 3521 B14R1.1864 CNC(C)c1ccc(c(c1)OC)OC 269862a_106832991636_100000171757 [0,2,0,0,0,0|1,0,1]=4 3522 B14R1.1864 CN[C@H](C)c1ccc(c(c1)OC)OC 2230a_100025717294_200000210301 [0,2,0,0,0,0|1,0,1]=4 3523 B14R1.1864 COc1ccc(cc1OC)C(C)OC 34a_100000246476_200000210301 [0,2,0,0,0,0|1,0,1]=4 3524 B14R1.1864 COc1ccc(cc1OC)C(C)OC 7a_100000246476_200000210301 [0,2,0,0,0,0|1,0,1]=4 3525 B14R1.1864 COc1ccc(cc1OC)C(C)O[13CH3] 34a_100000246476_200025704644 [0,2,0,0,0,0|1,0,1]=4 3526 B14R1.1864 COc1ccc(cc1OC)C(C)O[13CH3] 7a_100000246476_200025704644 [0,2,0,0,0,0|1,0,1]=4 3527 B14R1.1864 COc1ccc(cc1OC)[C@@H](C)N[13CH3] 2230a_100025717294_200025704644 [0,2,0,0,0,0|1,0,1]=4 3528 B14R1.343 COc1cc(cc(c1O)Br)CC(=O)C 1458a_100009814412_200000210301 [0,2,0,0,0,0|0,0,1]=3 3529 B14R1.343 COc1cc(cc(c1O)Br)CC(=O)[13CH3] 1458a_100009814412_200025704644 [0,2,0,0,0,0|0,0,1]=3 3530 B14R1.439 CC(=O)Cc1ccc(c(c1)SCF)O 62a_100010141077_100015361967 [0,2,0,0,0,0|0,1,1]=4 3531 B14R1.439 CC(=O)Cc1ccc(c(c1)SCF)O 62a_100015361967_100010141077 [0,2,0,0,0,0|0,1,1]=4 3532 B14R1.439 CC=Cc1cc(ccc1O)CC(=O)C 271570a_100016259895_100010141077 [0,2,0,0,0,0|1,0,1]=4 3533 B14R1.439 CCOc1cc(ccc1O)CC(=O)C 1458a_200000048972_200000210301 [0,2,0,0,0,0|0,0,1]=3 3534 B14R1.439 CCOc1cc(ccc1O)CC(=O)[13CH3] 1458a_200000048972_200025704644 [0,2,0,0,0,0|0,0,1]=3 3535 B14R1.439 CCSc1cc(ccc1O)CC(=O)C 62a_100000210202_100010141077 [0,2,0,0,0,0|0,1,1]=4 3536 B14R1.439 CCSc1cc(ccc1O)CC(=O)C 62a_100010141077_100000210202 [0,2,0,0,0,0|0,1,1]=4 3537 B14R1.705 C=C(C)c1cc(ccc1O)CC(=O)C 271570a_100000694244_100010141077 [0,2,0,0,0,0|1,0,1]=4 3538 B14R1.881 COc1cc(c(cc1O)Br)CC(=O)C 1458a_100009814189_200000210301 [0,2,0,0,0,0|0,0,1]=3 3539 B14R1.881 COc1cc(c(cc1O)Br)CC(=O)[13CH3] 1458a_100009814189_200025704644 [0,2,0,0,0,0|0,0,1]=3 3540 B14R1.881 COc1cc(c(cc1O)F)C=C(C)C 271570a_100102525489_100010189133 [0,2,0,0,0,0|0,0,2]=4 3541 B14R1.3405 C#CC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000211873_100010110085 [0,2,0,0,0,0|1,0,1]=4 3542 B14R1.3405 C#CC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000211873_200010214485 [0,2,0,0,0,0|1,0,1]=4 3543 B14R1.3405 C#CC(=O)Cc1ccc(c(c1)OC)F 1458a_100000211873_100012349856 [0,2,0,0,0,0|1,0,1]=4 3544 B14R1.3405 C#CC(C)Nc1ccc(c(c1)OC)O 34a_100000726020_200000035995 [0,2,0,0,0,0|0,0,2]=4 3545 B14R1.3405 C#CC(C)Sc1ccc(c(c1)OC)O 62a_200000035995_100000694246 [0,2,0,0,0,0|0,0,2]=4 3546 B14R1.3405 C=CC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000185746_100010110085 [0,2,0,0,0,0|1,0,0]=3 3547 B14R1.3405 C=CC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000185746_200010214485 [0,2,0,0,0,0|1,0,0]=3 3548 B14R1.3405 C=CC(=O)Cc1ccc(c(c1)OC)F 1458a_100000185746_100012349856 [0,2,0,0,0,0|1,0,0]=3 3549 B14R1.3405 C=CC(=O)Cc1ccc(c(n1)OC)Br 1458a_100000185746_200010066506 [0,2,0,0,0,0|2,0,0]=4 3550 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)Br 1626a_100000765947_100000185746 [0,2,0,0,0,0|1,0,1]=4 3551 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)Br 22a_100000765947_100000185746 [0,2,0,0,0,0|1,0,1]=4 3552 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)C 1626a_100011279678_100000185746 [0,2,0,0,0,0|1,0,1]=4 3553 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)C 22a_100011279678_100000185746 [0,2,0,0,0,0|1,0,1]=4 3554 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)Cl 1626a_100000742311_100000185746 [0,2,0,0,0,0|1,0,1]=4 3555 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)Cl 22a_100000742311_100000185746 [0,2,0,0,0,0|1,0,1]=4 3556 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)F 1626a_100000701188_100000185746 [0,2,0,0,0,0|1,0,1]=4 3557 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)F 22a_100000701188_100000185746 [0,2,0,0,0,0|1,0,1]=4 3558 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)I 1626a_100000746945_100000185746 [0,2,0,0,0,0|1,0,1]=4 3559 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)I 22a_100000746945_100000185746 [0,2,0,0,0,0|1,0,1]=4 3560 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000185746 [0,2,0,0,0,0|0,0,1]=3 3561 B14R1.3405 C=CC(C)Sc1c[nH]c(=O)c(c1)OC 62a_100011215867_100010125397 [0,2,0,0,0,0|1,0,1]=4 3562 B14R1.3405 C=CC(C)Sc1cc(c(cn1)C)OC 62a_100011215867_100010067687 [0,2,0,0,0,0|2,0,0]=4 3563 B14R1.3405 C=CC(C)Sc1cc(c(cn1)F)OC 62a_100011215867_200010136270 [0,2,0,0,0,0|2,0,0]=4 3564 B14R1.3405 C=CC(C)Sc1cc(c(cn1)N)OC 62a_100011215867_100009887741 [0,2,0,0,0,0|2,0,0]=4 3565 B14R1.3405 C=CC(C)Sc1ccc(c(c1)C#N)O 62a_100011215867_100000687585 [0,2,0,0,0,0|2,0,0]=4 3566 B14R1.3405 C=CC(C)Sc1ccc(c(c1)C=O)O 62a_100011215867_100000186750 [0,2,0,0,0,0|2,0,0]=4 3567 B14R1.3405 C=CC(C)Sc1ccc(c(c1)CC)Br 62a_100011215867_100010244631 [0,2,0,0,0,0|2,0,0]=4 3568 B14R1.3405 C=CC(C)Sc1ccc(c(c1)CC)F 62a_100011215867_100010244625 [0,2,0,0,0,0|2,0,0]=4 3569 B14R1.3405 C=CC(C)Sc1ccc(c(c1)CC)N 62a_100011215867_100000686106 [0,2,0,0,0,0|2,0,0]=4 3570 B14R1.3405 C=CC(C)Sc1ccc(c(c1)CC)O 62a_100011215867_100012338938 [0,2,0,0,0,0|1,0,0]=3 3571 B14R1.3405 C=CC(C)Sc1ccc(c(c1)CN)O 62a_100011215867_100000730032 [0,2,0,0,0,0|2,0,0]=4 3572 B14R1.3405 C=CC(C)Sc1ccc(c(c1)CO)O 62a_100011215867_100000184703 [0,2,0,0,0,0|2,0,0]=4 3573 B14R1.3405 C=CC(C)Sc1ccc(c(c1)NC)C 62a_100011215867_100020629602 [0,2,0,0,0,0|2,0,0]=4 3574 B14R1.3405 C=CC(C)Sc1ccc(c(c1)NC)F 62a_100011215867_100011314990 [0,2,0,0,0,0|2,0,0]=4 3575 B14R1.3405 C=CC(C)Sc1ccc(c(c1)OC)Br 62a_100011215867_100012353699 [0,2,0,0,0,0|1,0,0]=3 3576 B14R1.3405 C=CC(C)Sc1ccc(c(c1)OC)C 62a_100011215867_100011830276 [0,2,0,0,0,0|1,0,0]=3 3577 B14R1.3405 C=CC(C)Sc1ccc(c(c1)OC)Cl 62a_100011215867_100011356853 [0,2,0,0,0,0|1,0,0]=3 3578 B14R1.3405 C=CC(C)Sc1ccc(c(c1)OC)F 62a_100011215867_100011934186 [0,2,0,0,0,0|1,0,0]=3 3579 B14R1.3405 C=CC(C)Sc1ccc(c(c1)OC)N 62a_100011215867_100015196925 [0,2,0,0,0,0|1,0,0]=3 3580 B14R1.3405 C=CC(C)Sc1ccc(c(c1)OC)O 62a_100011215867_100000694246 [0,2,0,0,0,0|0,0,0]=2 3581 B14R1.3405 C=CC(C)Sc1ccc(c(c1)SC)F 62a_100011215867_100010341305 [0,2,0,0,0,0|1,1,0]=4 3582 B14R1.3405 C=CC(C)Sc1ccc(c(n1)OC)N 62a_100011215867_100000687816 [0,2,0,0,0,0|2,0,0]=4 3583 B14R1.3405 C=CC(C)Sc1ccc(c(n1)OC)O 62a_100011215867_100010893133 [0,2,0,0,0,0|1,0,0]=3 3584 B14R1.3405 C=CC(C)Sc1cnc(c(c1)OC)C 62a_100011215867_100010254219 [0,2,0,0,0,0|2,0,0]=4 3585 B14R1.3405 C=CC(C)Sc1cnc(c(c1)OC)F 62a_100011215867_100010214931 [0,2,0,0,0,0|2,0,0]=4 3586 B14R1.3405 C=CC(C)Sc1cnc(c(c1)OC)N 62a_100011215867_106354213024 [0,2,0,0,0,0|2,0,0]=4 3587 B14R1.3405 C=CC(C)Sc1cnc(c(n1)OC)O 62a_100011215867_200010365344 [0,2,0,0,0,0|2,0,0]=4 3588 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000210414_100010110085 [0,2,0,0,0,0|1,0,1]=4 3589 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Br 1458a_200010002685_100000210202 [0,2,0,0,0,0|1,0,1]=4 3590 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000210414_200010214485 [0,2,0,0,0,0|1,0,1]=4 3591 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)F 1458a_100000117344_100000210202 [0,2,0,0,0,0|1,0,1]=4 3592 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)F 1458a_100000210414_100012349856 [0,2,0,0,0,0|1,0,1]=4 3593 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)O 1458a_100000032101_100000210202 [0,2,0,0,0,0|0,0,1]=3 3594 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000210414 [0,2,0,0,0,0|1,0,1]=4 3595 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100000210414 [0,2,0,0,0,0|1,0,1]=4 3596 B14R1.3405 CCC(C)Nc1ccc(c(c1)OC)O 34a_100000726020_100011215416 [0,2,0,0,0,0|0,0,2]=4 3597 B14R1.3405 CCC(C)Sc1ccc(c(c1)OC)O 62a_100000758301_100000694246 [0,2,0,0,0,0|0,0,2]=4 3598 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)Br 11a_106832991635_200010002685 [0,2,0,0,0,0|1,0,1]=4 3599 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)Br 240690a_100102657272_200010002685 [0,2,0,0,0,0|1,0,1]=4 3600 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)Br 527a_100102657272_200010002685 [0,2,0,0,0,0|1,0,1]=4 3601 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 11a_106832991635_100000117344 [0,2,0,0,0,0|1,0,1]=4 3602 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 1626a_100102657272_100000117344 [0,2,0,0,0,0|1,0,1]=4 3603 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 240690a_100102657272_100000117344 [0,2,0,0,0,0|1,0,1]=4 3604 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 527a_100102657272_100000117344 [0,2,0,0,0,0|1,0,1]=4 3605 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)O 240690a_100102657272_100000032101 [0,2,0,0,0,0|0,0,1]=3 3606 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)O 527a_100102657272_100000032101 [0,2,0,0,0,0|0,0,1]=3 3607 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)O 2430a_100000726020_100102657272 [0,2,0,0,0,0|1,0,1]=4 3608 B14R1.3405 COC(=O)Cc1ccc(c(c1)OC)N 34a_200009957001_200000210301 [0,2,0,0,0,0|1,0,1]=4 3609 B14R1.3405 COC(=O)Cc1ccc(c(c1)O[13CH3])N 34a_200009957001_200025704644 [0,2,0,0,0,0|1,0,1]=4 3610 B14R1.3405 COC(=O)Cc1ccc(c(c1)SC)O 62a_100010222482_200000210301 [0,2,0,0,0,0|0,1,1]=4 3611 B14R1.3405 COC(=O)Cc1ccc(c(c1)SC)O 62a_200000210301_100010222482 [0,2,0,0,0,0|0,1,1]=4 3612 B14R1.3405 COC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010222482_200025704644 [0,2,0,0,0,0|0,1,1]=4 3613 B14R1.3405 COC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010222482 [0,2,0,0,0,0|0,1,1]=4 3614 B14R1.3405 COc1cc(ccc1Br)CC(=O)CF 1458a_200010002685_100015361967 [0,2,0,0,0,0|1,0,1]=4 3615 B14R1.3405 COc1cc(ccc1Br)CC(=O)CO 1458a_100000210174_100010110085 [0,2,0,0,0,0|1,0,1]=4 3616 B14R1.3405 COc1cc(ccc1Cl)CC(=O)CO 1458a_100000210174_200010214485 [0,2,0,0,0,0|1,0,1]=4 3617 B14R1.3405 COc1cc(ccc1F)CC(=O)CF 1458a_100000117344_100015361967 [0,2,0,0,0,0|1,0,1]=4 3618 B14R1.3405 COc1cc(ccc1F)CC(=O)CO 1458a_100000210174_100012349856 [0,2,0,0,0,0|1,0,1]=4 3619 B14R1.3405 COc1cc(ccc1O)CC(=O)CF 1458a_100000032101_100015361967 [0,2,0,0,0,0|0,0,1]=3 3620 B14R1.3405 COc1cc(ccc1O)NC(=O)CO 22a_100000726020_100000210174 [0,2,0,0,0,0|1,0,1]=4 3621 B14R1.3405 COc1cc(ccc1O)NC(=O)CO 527a_100000726020_100000210174 [0,2,0,0,0,0|1,0,1]=4 3622 B14R1.3405 COc1cc(ccc1O)NC(C)CO 34a_100000726020_100012180447 [0,2,0,0,0,0|1,0,1]=4 3623 B14R1.3405 COc1cc(ccc1O)SC(C)C#N 62a_100000703298_100000694246 [0,2,0,0,0,0|1,0,1]=4 3624 B14R1.3405 COc1cc(ccc1O)SC(C)CO 62a_100012180447_100000694246 [0,2,0,0,0,0|1,0,1]=4 3625 B14R1.3405 COc1cc(ccc1O)SC(C)OC 62a_100009879195_100000694246 [0,2,0,0,0,0|1,0,1]=4 3626 B14R1.3405 COc1cc(ccc1O)SC(F)C#N 62a_200000117898_100000694246 [0,2,0,0,0,0|1,0,1]=4 3627 B14R1.3405 COc1cc(ccc1O)S[C@H](C)CO 62a_100016084084_100000694246 [0,2,0,0,0,0|1,0,1]=4 3628 B14R1.3651 COc1cc(ccc1CO)C=C(C)C 271570a_100102525489_100011277633 [0,2,0,0,0,0|0,0,2]=4 3629 B14R1.3651 COc1cc(ccc1CO)NC(=O)C 22a_100012183141_100000070787 [0,2,0,0,0,0|1,0,1]=4 3630 B14R1.3651 COc1cc(ccc1O[13CH3])CC(=O)C 34a_200000039568_200025704644 [0,2,0,0,0,0|0,0,1]=3 3631 B14R1.3651 COc1ccc(cc1OC)C=C(C)C 271570a_100102525489_100000187503 [0,2,0,0,0,0|0,0,2]=4 3632 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 1458a_100000184093_200000210301 [0,2,0,0,0,0|0,0,1]=3 3633 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 34a_200000039568_200000210301 [0,2,0,0,0,0|0,0,1]=3 3634 B14R1.3651 COc1ccc(cc1OC)CC(=O)[13CH3] 1458a_100000184093_200025704644 [0,2,0,0,0,0|0,0,1]=3 3635 B14R1.3651 COc1ccc(cc1OC)CN(C)C 2230a_100000180827_200000210301 [0,2,0,0,0,0|1,0,1]=4 3636 B14R1.3651 COc1ccc(cc1OC)CN(C)C 2230a_100102631434_100011233839 [0,2,0,0,0,0|1,0,1]=4 3637 B14R1.3651 COc1ccc(cc1OC)CN(C)C 269982a_100000180827_200000210301 [0,2,0,0,0,0|1,0,1]=4 3638 B14R1.3651 COc1ccc(cc1OC)CN(C)C 269982a_100102631434_100011233839 [0,2,0,0,0,0|1,0,1]=4 3639 B14R1.3651 COc1ccc(cc1OC)CN(C)C 270004a_100102631434_100000170513 [0,2,0,0,0,0|1,0,1]=4 3640 B14R1.3651 COc1ccc(cc1OC)CN(C)[13CH3] 2230a_100000180827_200025704644 [0,2,0,0,0,0|1,0,1]=4 3641 B14R1.3651 COc1ccc(cc1OC)CN(C)[13CH3] 269982a_100000180827_200025704644 [0,2,0,0,0,0|1,0,1]=4 3642 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 11a_100000187404_100015343762 [0,2,0,0,0,0|1,0,1]=4 3643 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 1626a_100000187404_100015343762 [0,2,0,0,0,0|1,0,1]=4 3644 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 22a_100000187404_100000070787 [0,2,0,0,0,0|1,0,1]=4 3645 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 527a_100000187404_100103153847 [0,2,0,0,0,0|1,0,1]=4 3646 B14R1.3651 COc1ccc(cc1SC)CC(=O)C 62a_100011493462_200000210301 [0,2,0,0,0,0|0,1,1]=4 3647 B14R1.3651 COc1ccc(cc1SC)CC(=O)C 62a_200000210301_100011493462 [0,2,0,0,0,0|0,1,1]=4 3648 B14R1.3651 COc1ccc(cc1S[13CH3])CC(=O)C 62a_100011493462_200025704644 [0,2,0,0,0,0|0,1,1]=4 3649 B14R1.3651 COc1ccc(cc1S[13CH3])CC(=O)C 62a_200025704644_100011493462 [0,2,0,0,0,0|0,1,1]=4 3650 B14R1.4106 COc1c(ccc(c1F)CC(=O)C)Cl 1458a_100000070787_100010116237 [0,2,0,0,0,0|1,0,1]=4 3651 B14R1.4106 COc1c(ccc(c1F)CC(=O)C)F 1458a_100000070787_100009814548 [0,2,0,0,0,0|1,0,1]=4 3652 B14R1.791 C=CCNc1ccc(c(c1)OCC)Br 2230a_200016990551_100000210623 [0,2,0,0,0,0|1,0,0]=3 3653 B14R1.791 C=CCNc1ccc(c(c1)OCC)Br 34a_200016990551_100015514636 [0,2,0,0,0,0|1,0,0]=3 3654 B14R1.791 C=CCNc1ccc(c(c1)OCC)Br 7a_200016990551_100015514636 [0,2,0,0,0,0|1,0,0]=3 3655 B14R1.791 C=CCNc1ccc(c(c1)OCC)Cl 2230a_100011964961_100000210623 [0,2,0,0,0,0|1,0,0]=3 3656 B14R1.791 C=CCNc1ccc(c(c1)OCC)Cl 34a_100011964961_100015514636 [0,2,0,0,0,0|1,0,0]=3 3657 B14R1.791 C=CCOc1ccc(c(c1)NCC)C 34a_100000211784_100015514636 [0,2,0,0,0,0|2,0,0]=4 3658 B14R1.791 C=CCOc1ccc(c(c1)NCC)C 7a_100000211784_100015514636 [0,2,0,0,0,0|2,0,0]=4 3659 B14R1.791 C=CCSc1cc(c(cn1)N)OCC 62a_100000210623_100015764953 [0,2,0,0,0,0|2,0,0]=4 3660 B14R1.791 C=CCSc1cc(c(cn1)N)OCC 62a_100015764953_100000210623 [0,2,0,0,0,0|2,0,0]=4 3661 B14R1.791 C=CCSc1ccc(c(c1)CNC)C 62a_100000210623_106744473289 [0,2,0,0,0,0|2,0,0]=4 3662 B14R1.791 C=CCSc1ccc(c(c1)CNC)C 62a_106744473289_100000210623 [0,2,0,0,0,0|2,0,0]=4 3663 B14R1.791 C=CCSc1ccc(c(c1)CNC)F 62a_100000210623_100000748472 [0,2,0,0,0,0|2,0,0]=4 3664 B14R1.791 C=CCSc1ccc(c(c1)CNC)F 62a_100000748472_100000210623 [0,2,0,0,0,0|2,0,0]=4 3665 B14R1.791 C=CCSc1ccc(c(c1)CNC)O 62a_100000210623_100011602694 [0,2,0,0,0,0|1,0,0]=3 3666 B14R1.791 C=CCSc1ccc(c(c1)CNC)O 62a_100011602694_100000210623 [0,2,0,0,0,0|1,0,0]=3 3667 B14R1.791 C=CCSc1ccc(c(c1)COC)Br 62a_100000210623_202125822959 [0,2,0,0,0,0|1,0,0]=3 3668 B14R1.791 C=CCSc1ccc(c(c1)COC)Br 62a_202125822959_100000210623 [0,2,0,0,0,0|1,0,0]=3 3669 B14R1.791 C=CCSc1ccc(c(c1)COC)F 62a_100000210623_100010140362 [0,2,0,0,0,0|1,0,0]=3 3670 B14R1.791 C=CCSc1ccc(c(c1)COC)F 62a_100010140362_100000210623 [0,2,0,0,0,0|1,0,0]=3 3671 B14R1.791 C=CCSc1ccc(c(c1)NCC)N 62a_100000210623_100000696630 [0,2,0,0,0,0|2,0,0]=4 3672 B14R1.791 C=CCSc1ccc(c(c1)NCC)N 62a_100000696630_100000210623 [0,2,0,0,0,0|2,0,0]=4 3673 B14R1.791 C=CCSc1ccc(c(c1)OCC)C 62a_100000210623_100012361169 [0,2,0,0,0,0|1,0,0]=3 3674 B14R1.791 C=CCSc1ccc(c(c1)OCC)C 62a_100012361169_100000210623 [0,2,0,0,0,0|1,0,0]=3 3675 B14R1.791 C=CCSc1ccc(c(c1)OCC)F 62a_100000210623_200012344967 [0,2,0,0,0,0|1,0,0]=3 3676 B14R1.791 C=CCSc1ccc(c(c1)OCC)F 62a_200012344967_100000210623 [0,2,0,0,0,0|1,0,0]=3 3677 B14R1.791 C=CCSc1ccc(c(c1)OCC)N 62a_100000688918_100000210623 [0,2,0,0,0,0|1,0,0]=3 3678 B14R1.791 C=CCSc1cnc(c(c1)OCC)F 62a_100000210623_100010732568 [0,2,0,0,0,0|2,0,0]=4 3679 B14R1.791 C=CCSc1cnc(c(c1)OCC)F 62a_100010732568_100000210623 [0,2,0,0,0,0|2,0,0]=4 3680 B14R1.791 CCNCc1ccc(c(c1)OCC)O 34a_200000751567_100000210202 [0,2,0,0,0,0|0,0,2]=4 3681 B14R1.791 CCOc1cc(ccc1Br)NCC=O 2230a_200016990551_200015260668 [0,2,0,0,0,0|2,0,0]=4 3682 B14R1.791 CCOc1cc(ccc1Br)NCC=O 34a_200016990551_200009817547 [0,2,0,0,0,0|2,0,0]=4 3683 B14R1.791 CCOc1cc(ccc1Br)NCC=O 7a_200016990551_200015260668 [0,2,0,0,0,0|2,0,0]=4 3684 B14R1.791 CCOc1cc(ccc1C)SCC=O 62a_100012361169_200015260668 [0,2,0,0,0,0|2,0,0]=4 3685 B14R1.791 CCOc1cc(ccc1C)SCC=O 62a_200015260668_100012361169 [0,2,0,0,0,0|2,0,0]=4 3686 B14R1.791 CCOc1cc(ccc1Cl)NCC=O 2230a_100011964961_200015260668 [0,2,0,0,0,0|2,0,0]=4 3687 B14R1.791 CCOc1cc(ccc1Cl)NCC=O 34a_100011964961_200009817547 [0,2,0,0,0,0|2,0,0]=4 3688 B14R1.791 CCOc1cc(ccc1F)SCC=O 62a_200012344967_200015260668 [0,2,0,0,0,0|2,0,0]=4 3689 B14R1.791 CCOc1cc(ccc1F)SCC=O 62a_200015260668_200012344967 [0,2,0,0,0,0|2,0,0]=4 3690 B14R1.791 CCOc1cc(ccc1N)SCC=O 62a_100000688918_200015260668 [0,2,0,0,0,0|2,0,0]=4 3691 B14R1.791 CCOc1cc(ccc1O)CNCF 34a_200000751567_100015361967 [0,2,0,0,0,0|1,0,1]=4 3692 B14R1.791 CNCc1cc(ccc1O)SCC=O 62a_100011602694_200015260668 [0,2,0,0,0,0|2,0,0]=4 3693 B14R1.791 CNCc1cc(ccc1O)SCC=O 62a_200015260668_100011602694 [0,2,0,0,0,0|2,0,0]=4 3694 B14R1.791 COCc1cc(ccc1Br)SCC=O 62a_200015260668_202125822959 [0,2,0,0,0,0|2,0,0]=4 3695 B14R1.791 COCc1cc(ccc1Br)SCC=O 62a_202125822959_200015260668 [0,2,0,0,0,0|2,0,0]=4 3696 B14R1.791 COCc1cc(ccc1F)SCC=O 62a_100010140362_200015260668 [0,2,0,0,0,0|2,0,0]=4 3697 B14R1.791 COCc1cc(ccc1F)SCC=O 62a_200015260668_100010140362 [0,2,0,0,0,0|2,0,0]=4 3698 B14R1.6787 C=C=Cc1ccc(c(c1)COC)OC 271570a_100015277604_200011493686 [0,2,0,0,0,0|0,0,2]=4 3699 B14R1.6787 C=C=Cc1ccc(c(c1)OCC)OC 271570a_100015277604_200010219349 [0,2,0,0,0,0|0,0,2]=4 3700 B14R1.6787 CC=Cc1ccc(c(c1)COC)OC 271570a_100016259895_200011493686 [0,2,0,0,0,0|0,0,2]=4 3701 B14R1.6787 CC=Cc1ccc(c(c1)OCC)OC 271570a_100016259895_200010219349 [0,2,0,0,0,0|0,0,2]=4 3702 B14R1.6787 CCOc1cc(ccc1OC)CC#N 7a_200000061240_200000210301 [0,2,0,0,0,0|1,0,1]=4 3703 B14R1.6787 CCOc1cc(ccc1OC)CCN 34a_100011207234_100000210202 [0,2,0,0,0,0|1,0,1]=4 3704 B14R1.6787 CCOc1cc(ccc1OC)CNC 207a_100102657272_100000170514 [0,2,0,0,0,0|1,0,1]=4 3705 B14R1.6787 CCOc1cc(ccc1OC)CNC 2230a_100000755831_200000210301 [0,2,0,0,0,0|1,0,1]=4 3706 B14R1.6787 CCOc1cc(ccc1OC)CNC 270004a_106832991635_100000170514 [0,2,0,0,0,0|1,0,1]=4 3707 B14R1.6787 CCOc1cc(ccc1OC)CNC 34a_100000188468_100000210202 [0,2,0,0,0,0|1,0,1]=4 3708 B14R1.6787 CCOc1cc(ccc1OC)CNC 34a_100000755831_200000210301 [0,2,0,0,0,0|1,0,1]=4 3709 B14R1.6787 CCOc1cc(ccc1OC)CN[13CH3] 2230a_100000755831_200025704644 [0,2,0,0,0,0|1,0,1]=4 3710 B14R1.6787 CCOc1cc(ccc1OC)CN[13CH3] 34a_100000755831_200025704644 [0,2,0,0,0,0|1,0,1]=4 3711 B14R1.6787 CCOc1cc(ccc1O[13CH3])CC#N 7a_200000061240_200025704644 [0,2,0,0,0,0|1,0,1]=4 3712 B14R1.6787 CNCc1ccc(c(c1)COC)OC 207a_100102657272_100000708483 [0,2,0,0,0,0|1,0,1]=4 3713 B14R1.6787 CNCc1ccc(c(c1)COC)OC 270004a_106832991635_100000708483 [0,2,0,0,0,0|1,0,1]=4 3714 B14R1.6787 CNCc1ccc(c(c1)OCF)OC 34a_100000188468_100015361967 [0,2,0,0,0,0|1,0,1]=4 3715 B14R1.6787 COc1ccc(cc1OCF)CCN 34a_100011207234_100015361967 [0,2,0,0,0,0|1,0,1]=4 3716 B14R1.6795 C=C=Cc1ccc(c(c1)C(=O)OC)O 271570a_100015277604_100000149868 [0,2,0,0,0,0|0,0,2]=4 3717 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)OC)O 271570a_100016259895_100000149868 [0,2,0,0,0,0|0,0,2]=4 3718 B14R1.492 C=C=Cc1ccc(c(c1)OC)B(O)O 271570a_100015277604_100010245881 [0,2,0,0,0,0|0,0,2]=4 3719 B14R1.492 CC=Cc1ccc(c(c1)OC)B(O)O 271570a_100016259895_100010245881 [0,2,0,0,0,0|0,0,2]=4 3720 B14R1.793 C#CCNc1ccc(c(c1)OC)CO 34a_100012183141_100000184674 [0,2,0,0,0,0|0,0,2]=4 3721 B14R1.793 C#CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000184674 [0,2,0,0,0,0|0,0,2]=4 3722 B14R1.793 C#CCOc1ccc(c(c1)OC)CO 34a_200000116926_100000184674 [0,2,0,0,0,0|0,0,2]=4 3723 B14R1.793 C#CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000184674 [0,2,0,0,0,0|0,0,2]=4 3724 B14R1.793 C#CCSc1ccc(c(c1)OC)CO 62a_100000038162_100011277633 [0,2,0,0,0,0|0,0,2]=4 3725 B14R1.793 C#CCSc1ccc(c(c1)OC)OC 62a_100000038162_100011356967 [0,2,0,0,0,0|0,0,2]=4 3726 B14R1.793 C=CCNc1cc(c(cn1)C#N)OC 27a_100020586998_100009830018 [0,2,0,0,0,0|2,0,0]=4 3727 B14R1.793 C=CCNc1ccc(c(c1)C#N)OC 34a_100011204338_100015514636 [0,2,0,0,0,0|2,0,0]=4 3728 B14R1.793 C=CCNc1ccc(c(c1)C#N)OC 7a_100011204338_100015514636 [0,2,0,0,0,0|2,0,0]=4 3729 B14R1.793 C=CCNc1ccc(c(c1)OC)C#N 34a_100011999456_100015514636 [0,2,0,0,0,0|1,0,0]=3 3730 B14R1.793 C=CCNc1ccc(c(c1)OC)CO 34a_100012183141_100015514636 [0,2,0,0,0,0|0,0,0]=2 3731 B14R1.793 C=CCNc1ccc(c(c1)OC)OC 34a_100000187404_100015514636 [0,2,0,0,0,0|0,0,0]=2 3732 B14R1.793 C=CCNc1ccc(c(n1)OC)C#N 27a_100020586998_100010136633 [0,2,0,0,0,0|2,0,0]=4 3733 B14R1.793 C=CCNc1ncc(c(n1)OC)CO 27a_100020586998_200011024631 [0,2,0,0,0,0|2,0,0]=4 3734 B14R1.793 C=CCOc1ccc(c(c1)OC)CO 34a_200000116926_100015514636 [0,2,0,0,0,0|0,0,0]=2 3735 B14R1.793 C=CCOc1ccc(c(c1)OC)OC 34a_100000039706_100015514636 [0,2,0,0,0,0|0,0,0]=2 3736 B14R1.793 C=CCSc1cc(c(cn1)C#N)OC 62a_100000210623_100009830018 [0,2,0,0,0,0|2,0,0]=4 3737 B14R1.793 C=CCSc1cc(c(cn1)C=O)OC 62a_100000210623_100009846838 [0,2,0,0,0,0|1,0,1]=4 3738 B14R1.793 C=CCSc1cc(c(cn1)C=O)OC 62a_100009846838_100000210623 [0,2,0,0,0,0|1,0,1]=4 3739 B14R1.793 C=CCSc1cc(c(cn1)CO)OC 62a_100000210623_100010714672 [0,2,0,0,0,0|1,0,0]=3 3740 B14R1.793 C=CCSc1cc(c(cn1)CO)OC 62a_100010714672_100000210623 [0,2,0,0,0,0|1,0,0]=3 3741 B14R1.793 C=CCSc1cc(c(nn1)OC)OC 62a_100000210623_200000095610 [0,2,0,0,0,0|2,0,0]=4 3742 B14R1.793 C=CCSc1ccc(c(c1)C#N)OC 62a_100000210623_100000188252 [0,2,0,0,0,0|2,0,0]=4 3743 B14R1.793 C=CCSc1ccc(c(c1)C=O)OC 62a_100000170026_100000210623 [0,2,0,0,0,0|2,0,0]=4 3744 B14R1.793 C=CCSc1ccc(c(c1)C=O)OC 62a_100000210623_100000170026 [0,2,0,0,0,0|2,0,0]=4 3745 B14R1.793 C=CCSc1ccc(c(c1)CC)C=O 62a_100000210623_100010209654 [0,2,0,0,0,0|1,0,1]=4 3746 B14R1.793 C=CCSc1ccc(c(c1)CC)C=O 62a_100010209654_100000210623 [0,2,0,0,0,0|1,0,1]=4 3747 B14R1.793 C=CCSc1ccc(c(c1)CC)NN 62a_100000210623_100000700371 [0,2,0,0,0,0|2,0,0]=4 3748 B14R1.793 C=CCSc1ccc(c(c1)CC)NN 62a_100000700371_100000210623 [0,2,0,0,0,0|2,0,0]=4 3749 B14R1.793 C=CCSc1ccc(c(c1)CC)OC 62a_100000210623_200010179862 [0,2,0,0,0,0|1,0,0]=3 3750 B14R1.793 C=CCSc1ccc(c(c1)CC)OC 62a_200010179862_100000210623 [0,2,0,0,0,0|1,0,0]=3 3751 B14R1.793 C=CCSc1ccc(c(c1)CN)OC 62a_100000210623_100000690498 [0,2,0,0,0,0|2,0,0]=4 3752 B14R1.793 C=CCSc1ccc(c(c1)CN)OC 62a_100000690498_100000210623 [0,2,0,0,0,0|2,0,0]=4 3753 B14R1.793 C=CCSc1ccc(c(c1)CO)CO 62a_100000210623_100000719600 [0,2,0,0,0,0|2,0,0]=4 3754 B14R1.793 C=CCSc1ccc(c(c1)CO)CO 62a_100000719600_100000210623 [0,2,0,0,0,0|2,0,0]=4 3755 B14R1.793 C=CCSc1ccc(c(c1)CO)OC 62a_100000204679_100000210623 [0,2,0,0,0,0|2,0,0]=4 3756 B14R1.793 C=CCSc1ccc(c(c1)CO)OC 62a_100000210623_100000204679 [0,2,0,0,0,0|2,0,0]=4 3757 B14R1.793 C=CCSc1ccc(c(c1)NC)C#N 62a_100000210623_200012356631 [0,2,0,0,0,0|2,0,0]=4 3758 B14R1.793 C=CCSc1ccc(c(c1)OC)C#N 62a_100000210623_100000694671 [0,2,0,0,0,0|1,0,0]=3 3759 B14R1.793 C=CCSc1ccc(c(c1)OC)C=O 62a_100000210623_100010290300 [0,2,0,0,0,0|0,0,1]=3 3760 B14R1.793 C=CCSc1ccc(c(c1)OC)C=O 62a_100000697075_100000210623 [0,2,0,0,0,0|0,0,1]=3 3761 B14R1.793 C=CCSc1ccc(c(c1)OC)CC 62a_100000210623_200010710398 [0,2,0,0,0,0|1,0,0]=3 3762 B14R1.793 C=CCSc1ccc(c(c1)OC)CC 62a_200010710398_100000210623 [0,2,0,0,0,0|1,0,0]=3 3763 B14R1.793 C=CCSc1ccc(c(c1)OC)CO 62a_100000210623_100011277633 [0,2,0,0,0,0|0,0,0]=2 3764 B14R1.793 C=CCSc1ccc(c(c1)OC)CO 62a_100011277633_100000210623 [0,2,0,0,0,0|0,0,0]=2 3765 B14R1.793 C=CCSc1ccc(c(c1)OC)OC 62a_100000210623_100011356967 [0,2,0,0,0,0|0,0,0]=2 3766 B14R1.793 C=CCSc1ccc(c(c1)OC)SC 62a_200011001119_100000210623 [0,2,0,0,0,0|0,1,0]=3 3767 B14R1.793 C=CCSc1ccc(c(c1)SC)OC 62a_200009892704_100000210623 [0,2,0,0,0,0|0,1,0]=3 3768 B14R1.793 C=CCSc1ccc(c(n1)OC)C#N 62a_100000210623_100000708423 [0,2,0,0,0,0|2,0,0]=4 3769 B14R1.793 C=CCSc1ccc(c(n1)OC)C=O 62a_100000210623_100009864722 [0,2,0,0,0,0|1,0,1]=4 3770 B14R1.793 C=CCSc1ccc(c(n1)OC)C=O 62a_100009864722_100000210623 [0,2,0,0,0,0|1,0,1]=4 3771 B14R1.793 C=CCSc1ccc(c(n1)OC)CN 62a_100000210623_100015687481 [0,2,0,0,0,0|2,0,0]=4 3772 B14R1.793 C=CCSc1ccc(c(n1)OC)CN 62a_100015687481_100000210623 [0,2,0,0,0,0|2,0,0]=4 3773 B14R1.793 C=CCSc1ccc(c(n1)OC)CO 62a_100000210623_100010988397 [0,2,0,0,0,0|1,0,0]=3 3774 B14R1.793 C=CCSc1ccc(c(n1)OC)CO 62a_100010988397_100000210623 [0,2,0,0,0,0|1,0,0]=3 3775 B14R1.793 C=CCSc1ccc(c(n1)OC)OC 62a_100000210623_100010214848 [0,2,0,0,0,0|1,0,0]=3 3776 B14R1.793 C=CCSc1cnc(c(c1)OC)C#N 62a_100000210623_100000719880 [0,2,0,0,0,0|2,0,0]=4 3777 B14R1.793 C=CCSc1cnc(c(c1)OC)C=O 62a_100000210623_100010246152 [0,2,0,0,0,0|1,0,1]=4 3778 B14R1.793 C=CCSc1cnc(c(c1)OC)C=O 62a_100010246152_100000210623 [0,2,0,0,0,0|1,0,1]=4 3779 B14R1.793 C=CCSc1cnc(c(c1)OC)CO 62a_100000210623_200010246159 [0,2,0,0,0,0|1,0,0]=3 3780 B14R1.793 C=CCSc1cnc(c(c1)OC)CO 62a_200010246159_100000210623 [0,2,0,0,0,0|1,0,0]=3 3781 B14R1.793 C=CCSc1cnc(c(c1)OC)OC 62a_100000210623_100010234541 [0,2,0,0,0,0|1,0,0]=3 3782 B14R1.793 C=CCSc1cnc(c(n1)OC)OC 62a_100000210623_100010132954 [0,2,0,0,0,0|2,0,0]=4 3783 B14R1.793 C=CCSc1cnc(c(n1)OC)OC 62a_100010132954_100000210623 [0,2,0,0,0,0|2,0,0]=4 3784 B14R1.793 C=CCSc1ncc(c(n1)OC)CO 62a_100000210623_200011024631 [0,2,0,0,0,0|2,0,0]=4 3785 B14R1.793 C=CCSc1ncc(c(n1)OC)CO 62a_200011024631_100000210623 [0,2,0,0,0,0|2,0,0]=4 3786 B14R1.793 C=CCSc1ncc(c(n1)OC)OC 62a_100000210623_100010280452 [0,2,0,0,0,0|2,0,0]=4 3787 B14R1.793 CC=NNc1ccc(c(c1)OC)OC 4a_100000071703_200000210099 [0,2,0,0,0,0|1,0,1]=4 3788 B14R1.793 CCCCc1ccc(c(c1)OC)CO 271570a_100020621405_100011277633 [0,2,0,0,0,0|0,0,2]=4 3789 B14R1.793 CCCCc1ccc(c(c1)OC)OC 271570a_100020621405_100000187503 [0,2,0,0,0,0|0,0,2]=4 3790 B14R1.793 CCCNc1ccc(c(c1)OC)CO 34a_100012183141_100000210303 [0,2,0,0,0,0|0,0,2]=4 3791 B14R1.793 CCCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210303 [0,2,0,0,0,0|0,0,2]=4 3792 B14R1.793 CCCOc1ccc(c(c1)OC)CO 34a_200000116926_100000210303 [0,2,0,0,0,0|0,0,2]=4 3793 B14R1.793 CCCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210303 [0,2,0,0,0,0|0,0,2]=4 3794 B14R1.793 CCCSc1ccc(c(c1)OC)CO 62a_100000210303_100011277633 [0,2,0,0,0,0|0,0,2]=4 3795 B14R1.793 CCCSc1ccc(c(c1)OC)CO 62a_100011277633_100000210303 [0,2,0,0,0,0|0,0,2]=4 3796 B14R1.793 CCCSc1ccc(c(c1)OC)OC 62a_100000210303_100011356967 [0,2,0,0,0,0|0,0,2]=4 3797 B14R1.793 CCNCc1ccc(c(c1)OC)OC 207a_100015525214_100000170513 [0,2,0,0,0,0|0,0,2]=4 3798 B14R1.793 CCNCc1ccc(c(c1)OC)OC 2230a_100015525214_100011233839 [0,2,0,0,0,0|0,0,2]=4 3799 B14R1.793 CCNCc1ccc(c(c1)OC)OC 270004a_100015525214_100000170513 [0,2,0,0,0,0|0,0,2]=4 3800 B14R1.793 CCNCc1ccc(c(c1)OC)OC 34a_100000185555_100000210202 [0,2,0,0,0,0|0,0,2]=4 3801 B14R1.793 CCOCc1ccc(c(c1)OC)OC 34a_100000083705_200000210301 [0,2,0,0,0,0|0,0,2]=4 3802 B14R1.793 CCOCc1ccc(c(c1)OC)OC 34a_100000210929_100000210202 [0,2,0,0,0,0|0,0,2]=4 3803 B14R1.793 CCOCc1ccc(c(c1)OC)OC 7a_100000083705_200000210301 [0,2,0,0,0,0|0,0,2]=4 3804 B14R1.793 CCOCc1ccc(c(c1)OC)O[13CH3] 34a_100000083705_200025704644 [0,2,0,0,0,0|0,0,2]=4 3805 B14R1.793 CCOCc1ccc(c(c1)OC)O[13CH3] 7a_100000083705_200025704644 [0,2,0,0,0,0|0,0,2]=4 3806 B14R1.793 CCSCc1ccc(c(c1)OC)OC 62a_100000210202_100011233839 [0,2,0,0,0,0|0,0,2]=4 3807 B14R1.793 CCc1cc(ccc1OC)SCC=O 62a_200010179862_200015260668 [0,2,0,0,0,0|2,0,0]=4 3808 B14R1.793 CCc1cc(ccc1OC)SCC=O 62a_200015260668_200010179862 [0,2,0,0,0,0|2,0,0]=4 3809 B14R1.793 CCc1ccc(cc1OC)SCC=O 62a_200010710398_200015260668 [0,2,0,0,0,0|2,0,0]=4 3810 B14R1.793 CCc1ccc(cc1OC)SCC=O 62a_200015260668_200010710398 [0,2,0,0,0,0|2,0,0]=4 3811 B14R1.793 CNCCc1ccc(c(c1)OC)OC 2230a_100000210947_200000210301 [0,2,0,0,0,0|0,0,2]=4 3812 B14R1.793 CNCCc1ccc(c(c1)OC)OC 2230a_106832991635_100011273988 [0,2,0,0,0,0|0,0,2]=4 3813 B14R1.793 CNCCc1ccc(c(c1)OC)OC 270004a_106832991635_100011754369 [0,2,0,0,0,0|0,0,2]=4 3814 B14R1.793 CNCCc1ccc(c(c1)OC)OC 34a_100000210947_200000210301 [0,2,0,0,0,0|0,0,2]=4 3815 B14R1.793 CNCCc1ccc(c(c1)OC)OC 34a_100102657272_100011273988 [0,2,0,0,0,0|0,0,2]=4 3816 B14R1.793 CNCCc1ccc(c(c1)OC)OC 7a_106832991635_100011740610 [0,2,0,0,0,0|0,0,2]=4 3817 B14R1.793 COCCc1ccc(c(c1)OC)OC 34a_100011215274_200000210301 [0,2,0,0,0,0|0,0,2]=4 3818 B14R1.793 COCCc1ccc(c(c1)OC)OC 34a_100138415774_100011273988 [0,2,0,0,0,0|0,0,2]=4 3819 B14R1.793 COCSc1ccc(c(c1)OC)CO 62a_100000766300_100011277633 [0,2,0,0,0,0|1,0,1]=4 3820 B14R1.793 COCSc1ccc(c(c1)OC)CO 62a_100011277633_100000766300 [0,2,0,0,0,0|1,0,1]=4 3821 B14R1.793 COCSc1ccc(c(c1)OC)OC 62a_100000766300_100011356967 [0,2,0,0,0,0|1,0,1]=4 3822 B14R1.793 COc1cc(ccc1C#N)NCC=O 34a_100011999456_200009817547 [0,2,0,0,0,0|2,0,0]=4 3823 B14R1.793 COc1cc(ccc1C#N)SCC=O 62a_200015260668_100000694671 [0,2,0,0,0,0|2,0,0]=4 3824 B14R1.793 COc1cc(ccc1C=O)SCC=O 62a_100000697075_200015260668 [0,2,0,0,0,0|1,0,1]=4 3825 B14R1.793 COc1cc(ccc1C=O)SCC=O 62a_200015260668_100010290300 [0,2,0,0,0,0|1,0,1]=4 3826 B14R1.793 COc1cc(ccc1CO)NCC=O 34a_100012183141_200009817547 [0,2,0,0,0,0|1,0,0]=3 3827 B14R1.793 COc1cc(ccc1CO)NCCF 34a_100012183141_100011217306 [0,2,0,0,0,0|1,0,1]=4 3828 B14R1.793 COc1cc(ccc1CO)NCCO 34a_100012183141_100000211926 [0,2,0,0,0,0|1,0,1]=4 3829 B14R1.793 COc1cc(ccc1CO)NCSC 34a_100012183141_100011218213 [0,2,0,0,0,0|1,0,1]=4 3830 B14R1.793 COc1cc(ccc1CO)OCC=O 34a_200000116926_200009817547 [0,2,0,0,0,0|1,0,0]=3 3831 B14R1.793 COc1cc(ccc1CO)OCCF 34a_200000116926_100011217306 [0,2,0,0,0,0|1,0,1]=4 3832 B14R1.793 COc1cc(ccc1CO)OCCO 34a_200000116926_100000211926 [0,2,0,0,0,0|1,0,1]=4 3833 B14R1.793 COc1cc(ccc1CO)OCSC 34a_200000116926_100011218213 [0,2,0,0,0,0|1,0,1]=4 3834 B14R1.793 COc1cc(ccc1CO)SCC#N 62a_100011215382_100011277633 [0,2,0,0,0,0|1,0,1]=4 3835 B14R1.793 COc1cc(ccc1CO)SCC#N 62a_100011277633_100011215382 [0,2,0,0,0,0|1,0,1]=4 3836 B14R1.793 COc1cc(ccc1CO)SCC=O 62a_100011277633_200015260668 [0,2,0,0,0,0|1,0,0]=3 3837 B14R1.793 COc1cc(ccc1CO)SCC=O 62a_200015260668_100011277633 [0,2,0,0,0,0|1,0,0]=3 3838 B14R1.793 COc1cc(ccc1CO)SCCF 62a_100011217306_100011277633 [0,2,0,0,0,0|1,0,1]=4 3839 B14R1.793 COc1cc(ccc1CO)SCCF 62a_100011277633_100011217306 [0,2,0,0,0,0|1,0,1]=4 3840 B14R1.793 COc1cc(ccc1CO)SCCO 62a_100000211926_100011277633 [0,2,0,0,0,0|1,0,1]=4 3841 B14R1.793 COc1cc(ccc1CO)SCCO 62a_100011277633_100000211926 [0,2,0,0,0,0|1,0,1]=4 3842 B14R1.793 COc1cc(ccc1CO)SCSC 62a_100011218213_100011277633 [0,2,0,0,0,0|1,0,1]=4 3843 B14R1.793 COc1cc(ccc1CO)SCSC 62a_100011277633_100011218213 [0,2,0,0,0,0|1,0,1]=4 3844 B14R1.793 COc1cc(ccc1O[13CH3])/C=C\CO 34a_100016294963_200025704644 [0,2,0,0,0,0|0,0,2]=4 3845 B14R1.793 COc1cc(ccc1O[13CH3])CCCO 34a_100000060467_200025704644 [0,2,0,0,0,0|0,0,2]=4 3846 B14R1.793 COc1cc(ccc1O[13CH3])CCCO 7a_100000060467_200025704644 [0,2,0,0,0,0|0,0,2]=4 3847 B14R1.793 COc1cc(ccc1SC)SCC=O 62a_200011001119_200015260668 [0,2,0,0,0,0|1,1,0]=4 3848 B14R1.793 COc1cc(cnc1CO)SCC=O 62a_200010246159_200015260668 [0,2,0,0,0,0|2,0,0]=4 3849 B14R1.793 COc1cc(cnc1CO)SCC=O 62a_200015260668_200010246159 [0,2,0,0,0,0|2,0,0]=4 3850 B14R1.793 COc1cc(cnc1OC)SCC=O 62a_200015260668_100010234541 [0,2,0,0,0,0|2,0,0]=4 3851 B14R1.793 COc1cc(ncc1CO)SCC=O 62a_100010714672_200015260668 [0,2,0,0,0,0|2,0,0]=4 3852 B14R1.793 COc1cc(ncc1CO)SCC=O 62a_200015260668_100010714672 [0,2,0,0,0,0|2,0,0]=4 3853 B14R1.793 COc1ccc(cc1OC)/C=C/CO 34a_100102524974_200000210301 [0,2,0,0,0,0|0,0,2]=4 3854 B14R1.793 COc1ccc(cc1OC)/C=C\CO 34a_100016294963_200000210301 [0,2,0,0,0,0|0,0,2]=4 3855 B14R1.793 COc1ccc(cc1OC)CCCO 34a_100000060467_200000210301 [0,2,0,0,0,0|0,0,2]=4 3856 B14R1.793 COc1ccc(cc1OC)CCCO 7a_100000060467_200000210301 [0,2,0,0,0,0|0,0,2]=4 3857 B14R1.793 COc1ccc(cc1OC)CCN[13CH3] 2230a_100000210947_200025704644 [0,2,0,0,0,0|0,0,2]=4 3858 B14R1.793 COc1ccc(cc1OC)CCN[13CH3] 34a_100000210947_200025704644 [0,2,0,0,0,0|0,0,2]=4 3859 B14R1.793 COc1ccc(cc1OC)CCO[13CH3] 34a_100011215274_200025704644 [0,2,0,0,0,0|0,0,2]=4 3860 B14R1.793 COc1ccc(cc1OC)CCSC 62a_200000210301_100011740610 [0,2,0,0,0,0|0,0,2]=4 3861 B14R1.793 COc1ccc(cc1OC)CCS[13CH3] 62a_200025704644_100011740610 [0,2,0,0,0,0|0,0,2]=4 3862 B14R1.793 COc1ccc(cc1OC)CNCF 34a_100000185555_100015361967 [0,2,0,0,0,0|1,0,1]=4 3863 B14R1.793 COc1ccc(cc1OC)COCF 34a_100000210929_100015361967 [0,2,0,0,0,0|1,0,1]=4 3864 B14R1.793 COc1ccc(cc1OC)CSCF 62a_100015361967_100011233839 [0,2,0,0,0,0|1,0,1]=4 3865 B14R1.793 COc1ccc(cc1OC)NCC=O 34a_100000187404_200009817547 [0,2,0,0,0,0|1,0,0]=3 3866 B14R1.793 COc1ccc(cc1OC)NCCF 34a_100000187404_100011217306 [0,2,0,0,0,0|1,0,1]=4 3867 B14R1.793 COc1ccc(cc1OC)NCCO 34a_100000187404_100000211926 [0,2,0,0,0,0|1,0,1]=4 3868 B14R1.793 COc1ccc(cc1OC)NCSC 34a_100000187404_100011218213 [0,2,0,0,0,0|1,0,1]=4 3869 B14R1.793 COc1ccc(cc1OC)OCC=O 34a_100000039706_200009817547 [0,2,0,0,0,0|1,0,0]=3 3870 B14R1.793 COc1ccc(cc1OC)OCCF 34a_100000039706_100011217306 [0,2,0,0,0,0|1,0,1]=4 3871 B14R1.793 COc1ccc(cc1OC)OCCO 34a_100000039706_100000211926 [0,2,0,0,0,0|1,0,1]=4 3872 B14R1.793 COc1ccc(cc1OC)OCSC 34a_100000039706_100011218213 [0,2,0,0,0,0|1,0,1]=4 3873 B14R1.793 COc1ccc(cc1OC)SCC#N 62a_100011215382_100011356967 [0,2,0,0,0,0|1,0,1]=4 3874 B14R1.793 COc1ccc(cc1OC)SCC=O 62a_200015260668_100011356967 [0,2,0,0,0,0|1,0,0]=3 3875 B14R1.793 COc1ccc(cc1OC)SCCF 62a_100011217306_100011356967 [0,2,0,0,0,0|1,0,1]=4 3876 B14R1.793 COc1ccc(cc1OC)SCCO 62a_100000211926_100011356967 [0,2,0,0,0,0|1,0,1]=4 3877 B14R1.793 COc1ccc(cc1OC)SCSC 62a_100011218213_100011356967 [0,2,0,0,0,0|1,0,1]=4 3878 B14R1.793 COc1ccc(cc1O[13CH3])/C=C/CO 34a_100102524974_200025704644 [0,2,0,0,0,0|0,0,2]=4 3879 B14R1.793 COc1ccc(cc1SC)SCC=O 62a_200009892704_200015260668 [0,2,0,0,0,0|1,1,0]=4 3880 B14R1.793 COc1ccc(nc1OC)SCC=O 62a_200015260668_100010214848 [0,2,0,0,0,0|2,0,0]=4 3881 B14R1.793 COc1nc(ccc1CO)SCC=O 62a_100010988397_200015260668 [0,2,0,0,0,0|2,0,0]=4 3882 B14R1.793 COc1nc(ccc1CO)SCC=O 62a_200015260668_100010988397 [0,2,0,0,0,0|2,0,0]=4 3883 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Br 207a_100102657272_100000183470 [0,2,0,0,0,0|1,0,1]=4 3884 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Br 270004a_106832991635_100000183470 [0,2,0,0,0,0|1,0,1]=4 3885 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Br 34a_100000748475_200000210301 [0,2,0,0,0,0|1,0,1]=4 3886 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Cl 207a_100102657272_100000184546 [0,2,0,0,0,0|1,0,1]=4 3887 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Cl 270004a_106832991635_100000184546 [0,2,0,0,0,0|1,0,1]=4 3888 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)I 207a_100102657272_100000188315 [0,2,0,0,0,0|1,0,1]=4 3889 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)I 270004a_106832991635_100000188315 [0,2,0,0,0,0|1,0,1]=4 3890 B14R1.3237 COCc1cc(c(c(c1)OC)OC)Br 34a_200000215730_200000210301 [0,2,0,0,0,0|1,0,1]=4 3891 B14R1.3237 COc1cc(cc(c1OC)Br)CN[13CH3] 34a_100000748475_200025704644 [0,2,0,0,0,0|1,0,1]=4 3892 B14R1.3237 COc1cc(cc(c1OC)Br)CO[13CH3] 34a_200000215730_200025704644 [0,2,0,0,0,0|1,0,1]=4 3893 B14R1.6788 C=C=Cc1ccc(c(c1)OC)OCC 271570a_100015277604_200012344064 [0,2,0,0,0,0|0,0,2]=4 3894 B14R1.6788 C=CCc1ccc(c(c1)OC)CNC 26a_100102657272_100000181329 [0,2,0,0,0,0|1,0,0]=3 3895 B14R1.6788 C=CCc1ccc(c(c1)OC)OCC 34a_100000181329_100000210202 [0,2,0,0,0,0|0,0,0]=2 3896 B14R1.6788 C=CCc1ccc(c(c1)OC)OCF 34a_100000181329_100015361967 [0,2,0,0,0,0|0,0,0]=2 3897 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 271570a_100016259895_200012344064 [0,2,0,0,0,0|0,0,2]=4 3898 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 34a_100000057189_200000210301 [0,2,0,0,0,0|0,0,2]=4 3899 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 34a_100015195088_100000210202 [0,2,0,0,0,0|0,0,2]=4 3900 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 7a_100000057189_200000210301 [0,2,0,0,0,0|0,0,2]=4 3901 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCF 34a_100015195088_100015361967 [0,2,0,0,0,0|0,0,2]=4 3902 B14R1.6788 CC=Cc1ccc(c(c1)O[13CH3])OCC 34a_100000057189_200025704644 [0,2,0,0,0,0|0,0,2]=4 3903 B14R1.6788 CC=Cc1ccc(c(c1)O[13CH3])OCC 7a_100000057189_200025704644 [0,2,0,0,0,0|0,0,2]=4 3904 B14R1.6788 CCCc1ccc(c(c1)OC)OCC 34a_100000012292_100000210202 [0,2,0,0,0,0|0,0,2]=4 3905 B14R1.6788 CCCc1ccc(c(c1)OC)OCC 7a_100000012292_100000210202 [0,2,0,0,0,0|0,0,2]=4 3906 B14R1.6788 CCCc1ccc(c(c1)OC)OCF 34a_100000012292_100015361967 [0,2,0,0,0,0|0,0,2]=4 3907 B14R1.6788 CCCc1ccc(c(c1)OC)OCF 7a_100000012292_100015361967 [0,2,0,0,0,0|0,0,2]=4 3908 B14R1.6788 CCOc1ccc(cc1OC)CC#N 34a_100000032377_100000210202 [0,2,0,0,0,0|1,0,1]=4 3909 B14R1.6788 CCOc1ccc(cc1OC)CCBr 34a_100010741665_100000210202 [0,2,0,0,0,0|1,0,1]=4 3910 B14R1.6788 CCOc1ccc(cc1OC)CCBr 7a_100010741665_100000210202 [0,2,0,0,0,0|1,0,1]=4 3911 B14R1.6788 CCOc1ccc(cc1OC)CCN 34a_100000756042_100000210202 [0,2,0,0,0,0|1,0,1]=4 3912 B14R1.6788 CCOc1ccc(cc1OC)CCO 34a_100011215244_100000210202 [0,2,0,0,0,0|1,0,1]=4 3913 B14R1.6788 CCOc1ccc(cc1OC)CNC 207a_100102657272_100000169853 [0,2,0,0,0,0|1,0,1]=4 3914 B14R1.6788 CCOc1ccc(cc1OC)CNC 2230a_200000739100_200000210301 [0,2,0,0,0,0|1,0,1]=4 3915 B14R1.6788 CCOc1ccc(cc1OC)CNC 270004a_106832991635_100000169853 [0,2,0,0,0,0|1,0,1]=4 3916 B14R1.6788 CCOc1ccc(cc1OC)CNC 34a_200000739100_200000210301 [0,2,0,0,0,0|1,0,1]=4 3917 B14R1.6788 CCOc1ccc(cc1OC)CN[13CH3] 2230a_200000739100_200025704644 [0,2,0,0,0,0|1,0,1]=4 3918 B14R1.6788 CCOc1ccc(cc1OC)CN[13CH3] 34a_200000739100_200025704644 [0,2,0,0,0,0|1,0,1]=4 3919 B14R1.6788 CCOc1ccc(cc1OC)COC 34a_100000184821_200000210301 [0,2,0,0,0,0|1,0,1]=4 3920 B14R1.6788 CCOc1ccc(cc1OC)CO[13CH3] 34a_100000184821_200025704644 [0,2,0,0,0,0|1,0,1]=4 3921 B14R1.6788 COc1cc(ccc1OCF)CC#N 34a_100000032377_100015361967 [0,2,0,0,0,0|1,0,1]=4 3922 B14R1.6788 COc1cc(ccc1OCF)CCBr 34a_100010741665_100015361967 [0,2,0,0,0,0|1,0,1]=4 3923 B14R1.6788 COc1cc(ccc1OCF)CCBr 7a_100010741665_100015361967 [0,2,0,0,0,0|1,0,1]=4 3924 B14R1.6788 COc1cc(ccc1OCF)CCN 34a_100000756042_100015361967 [0,2,0,0,0,0|1,0,1]=4 3925 B14R1.6788 COc1cc(ccc1OCF)CCO 34a_100011215244_100015361967 [0,2,0,0,0,0|1,0,1]=4 3926 B14R1.10285 C=C=Cc1ccc(c(c1C)OC)OC 271570a_100015277604_100010000156 [0,2,0,0,0,0|0,0,2]=4 3927 B14R1.10285 CC=Cc1ccc(c(c1C)OC)OC 271570a_100016259895_100010000156 [0,2,0,0,0,0|0,0,2]=4 3928 B14R1.10285 CNCc1ccc(c(c1Br)OC)OC 207a_100102657272_100009814707 [0,2,0,0,0,0|1,0,1]=4 3929 B14R1.10285 CNCc1ccc(c(c1Br)OC)OC 270004a_106832991635_100009814707 [0,2,0,0,0,0|1,0,1]=4 3930 B14R1.10285 CNCc1ccc(c(c1C)OC)OC 207a_100102657272_100000050322 [0,2,0,0,0,0|1,0,1]=4 3931 B14R1.10285 CNCc1ccc(c(c1C)OC)OC 270004a_106832991635_100000050322 [0,2,0,0,0,0|1,0,1]=4 3932 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 207a_100102657272_100000033805 [0,2,0,0,0,0|1,0,1]=4 3933 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 2230a_106832991635_100011890039 [0,2,0,0,0,0|1,0,1]=4 3934 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 270004a_106832991635_100000033805 [0,2,0,0,0,0|1,0,1]=4 3935 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 34a_102515433231_200000210301 [0,2,0,0,0,0|1,0,1]=4 3936 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 7a_106832991635_100011890039 [0,2,0,0,0,0|1,0,1]=4 3937 B14R1.10285 CNCc1ccc(c(c1F)OC)OC 207a_100102657272_100009852382 [0,2,0,0,0,0|1,0,1]=4 3938 B14R1.10285 CNCc1ccc(c(c1F)OC)OC 270004a_106832991635_100009852382 [0,2,0,0,0,0|1,0,1]=4 3939 B14R1.10285 CNCc1ccc(c(c1I)OC)OC 207a_100102657272_100010191550 [0,2,0,0,0,0|1,0,1]=4 3940 B14R1.10285 CNCc1ccc(c(c1I)OC)OC 270004a_106832991635_100010191550 [0,2,0,0,0,0|1,0,1]=4 3941 B14R1.10285 COCc1ccc(c(c1Cl)OC)OC 34a_100011218542_200000210301 [0,2,0,0,0,0|1,0,1]=4 3942 B14R1.10285 COCc1ccc(c(c1Cl)OC)OC 7a_100011218542_200000210301 [0,2,0,0,0,0|1,0,1]=4 3943 B14R1.10285 COc1ccc(c(c1OC)Cl)CN[13CH3] 34a_102515433231_200025704644 [0,2,0,0,0,0|1,0,1]=4 3944 B14R1.10285 COc1ccc(c(c1OC)Cl)CO[13CH3] 34a_100011218542_200025704644 [0,2,0,0,0,0|1,0,1]=4 3945 B14R1.10285 COc1ccc(c(c1OC)Cl)CO[13CH3] 7a_100011218542_200025704644 [0,2,0,0,0,0|1,0,1]=4 3946 B14R1.10285 COc1ccc(c(c1OC)Cl)CSC 62a_200000210301_100011890039 [0,2,0,0,0,0|1,0,1]=4 3947 B14R1.10285 COc1ccc(c(c1OC)Cl)CS[13CH3] 62a_200025704644_100011890039 [0,2,0,0,0,0|1,0,1]=4 3948 B14R1.14946 C=C=Cc1cc(c(cc1F)OC)OC 271570a_100015277604_200011765842 [0,2,0,0,0,0|0,0,2]=4 3949 B14R1.14946 CC=Cc1cc(c(cc1F)OC)OC 271570a_100016259895_200011765842 [0,2,0,0,0,0|0,0,2]=4 3950 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 207a_100102657272_100000170863 [0,2,0,0,0,0|1,0,1]=4 3951 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 270004a_106832991635_100000170863 [0,2,0,0,0,0|1,0,1]=4 3952 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 34a_100102657272_100011375086 [0,2,0,0,0,0|1,0,1]=4 3953 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 7a_106832991635_100011375086 [0,2,0,0,0,0|1,0,1]=4 3954 B14R1.14946 CNCc1cc(c(cc1C)OC)OC 207a_100102657272_100000685059 [0,2,0,0,0,0|1,0,1]=4 3955 B14R1.14946 CNCc1cc(c(cc1C)OC)OC 270004a_106832991635_100000685059 [0,2,0,0,0,0|1,0,1]=4 3956 B14R1.14946 CNCc1cc(c(cc1Cl)OC)OC 207a_100102657272_100000186741 [0,2,0,0,0,0|1,0,1]=4 3957 B14R1.14946 CNCc1cc(c(cc1Cl)OC)OC 270004a_106832991635_100000186741 [0,2,0,0,0,0|1,0,1]=4 3958 B14R1.14946 CNCc1cc(c(cc1F)OC)OC 207a_100102657272_100011218750 [0,2,0,0,0,0|1,0,1]=4 3959 B14R1.14946 CNCc1cc(c(cc1F)OC)OC 270004a_106832991635_100011218750 [0,2,0,0,0,0|1,0,1]=4 3960 B14R1.14946 CNCc1cc(c(cc1F)OC)OC 34a_100132302102_200000210301 [0,2,0,0,0,0|1,0,1]=4 3961 B14R1.14946 CNCc1cc(c(cc1I)OC)OC 207a_100102657272_100010174930 [0,2,0,0,0,0|1,0,1]=4 3962 B14R1.14946 CNCc1cc(c(cc1I)OC)OC 270004a_106832991635_100010174930 [0,2,0,0,0,0|1,0,1]=4 3963 B14R1.14946 COCc1cc(c(cc1Br)OC)OC 34a_100138415774_100011375086 [0,2,0,0,0,0|1,0,1]=4 3964 B14R1.14946 COCc1cc(c(cc1Br)OC)OC 34a_200000246283_200000210301 [0,2,0,0,0,0|1,0,1]=4 3965 B14R1.14946 COCc1cc(c(cc1Br)OC)OC 7a_200000246283_200000210301 [0,2,0,0,0,0|1,0,1]=4 3966 B14R1.14946 COc1cc(c(cc1OC)CC#N)O 271570a_203496583355_100000199111 [0,2,0,0,0,0|1,0,1]=4 3967 B14R1.14946 COc1cc(c(cc1OC)CCN)O 271570a_203496583355_200000215632 [0,2,0,0,0,0|1,0,1]=4 3968 B14R1.14946 COc1cc(c(cc1OC)CN[13CH3])F 34a_100132302102_200025704644 [0,2,0,0,0,0|1,0,1]=4 3969 B14R1.14946 COc1cc(c(cc1OC)CO[13CH3])Br 34a_200000246283_200025704644 [0,2,0,0,0,0|1,0,1]=4 3970 B14R1.14946 COc1cc(c(cc1OC)CO[13CH3])Br 7a_200000246283_200025704644 [0,2,0,0,0,0|1,0,1]=4 3971 B14R1.14946 COc1cc(c(cc1OC)CSC)Br 62a_100011375086_200000210301 [0,2,0,0,0,0|1,0,1]=4 3972 B14R1.14946 COc1cc(c(cc1OC)CS[13CH3])Br 62a_100011375086_200025704644 [0,2,0,0,0,0|1,0,1]=4 3973 B14R1.794 C=CCNc1ccc(c(c1)N(C)C)C 34a_100011708272_100015514636 [0,2,0,0,0,0|2,0,0]=4 3974 B14R1.794 C=CCOc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_100015514636 [0,2,0,0,0,0|2,0,0]=4 3975 B14R1.794 C=CCOc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_100015514636 [0,2,0,0,0,0|2,0,0]=4 3976 B14R1.794 C=CCOc1ccc(c(c1)C(=O)C)F 34a_100000091700_100015514636 [0,2,0,0,0,0|2,0,0]=4 3977 B14R1.794 C=CCOc1ccc(c(c1)C(=O)C)F 7a_100000091700_100015514636 [0,2,0,0,0,0|2,0,0]=4 3978 B14R1.794 C=CCOc1ccc(c(c1)N(C)C)C 34a_200000087912_100015514636 [0,2,0,0,0,0|2,0,0]=4 3979 B14R1.794 C=CCOc1ccc(c(c1)N(C)C)I 34a_200010083878_100015514636 [0,2,0,0,0,0|2,0,0]=4 3980 B14R1.794 C=CCSc1ccc(c(c1)C(=O)C)C 62a_100012706819_100000210623 [0,2,0,0,0,0|2,0,0]=4 3981 B14R1.794 C=CCSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_100000210623 [0,2,0,0,0,0|2,0,0]=4 3982 B14R1.794 C=CCSc1ccc(c(c1)C(=O)C)F 62a_100000210623_100010254839 [0,2,0,0,0,0|2,0,0]=4 3983 B14R1.794 C=CCSc1ccc(c(c1)C(=O)C)F 62a_100000689017_100000210623 [0,2,0,0,0,0|2,0,0]=4 3984 B14R1.794 C=CCSc1ccc(c(c1)C(=O)C)N 62a_100000695420_100000210623 [0,2,0,0,0,0|2,0,0]=4 3985 B14R1.794 C=CCSc1ccc(c(c1)C(=O)N)O 62a_100000192807_100000210623 [0,2,0,0,0,0|2,0,0]=4 3986 B14R1.794 C=CCSc1ccc(c(c1)C(C)C)F 62a_100000210623_200053017515 [0,2,0,0,0,0|2,0,0]=4 3987 B14R1.794 C=CCSc1ccc(c(c1)C(C)C)F 62a_200053017515_100000210623 [0,2,0,0,0,0|2,0,0]=4 3988 B14R1.794 C=CCSc1ccc(c(c1)C(C)C)N 62a_100000210623_100000694223 [0,2,0,0,0,0|2,0,0]=4 3989 B14R1.794 C=CCSc1ccc(c(c1)C(C)C)N 62a_100000694223_100000210623 [0,2,0,0,0,0|2,0,0]=4 3990 B14R1.794 C=CCSc1ccc(c(c1)C(C)C)O 62a_100000210623_100000691460 [0,2,0,0,0,0|1,0,0]=3 3991 B14R1.794 C=CCSc1ccc(c(c1)C(C)C)O 62a_100000691460_100000210623 [0,2,0,0,0,0|1,0,0]=3 3992 B14R1.794 C=CCSc1ccc(c(c1)C(C)O)F 62a_100000210623_100011943926 [0,2,0,0,0,0|2,0,0]=4 3993 B14R1.794 C=CCSc1ccc(c(c1)C(C)O)F 62a_100011943926_100000210623 [0,2,0,0,0,0|2,0,0]=4 3994 B14R1.794 C=CCSc1ccc(c(c1)N(C)C)F 62a_100000210623_100010288836 [0,2,0,0,0,0|2,0,0]=4 3995 B14R1.794 C=CCSc1ccc(c(c1)N(C)C)F 62a_100010288836_100000210623 [0,2,0,0,0,0|2,0,0]=4 3996 B14R1.794 CC(C)c1cc(ccc1O)SCC=O 62a_100000691460_200015260668 [0,2,0,0,0,0|2,0,0]=4 3997 B14R1.794 CC(C)c1cc(ccc1O)SCC=O 62a_200015260668_100000691460 [0,2,0,0,0,0|2,0,0]=4 3998 B14R1.42 C=C(C)CNc1ccc(c(c1)C#N)O 34a_100011249283_100000748629 [0,2,0,0,0,0|2,0,0]=4 3999 B14R1.42 C=C(C)CNc1ccc(c(c1)CC)Br 2230a_100010109747_100000748629 [0,2,0,0,0,0|2,0,0]=4 4000 B14R1.42 C=C(C)CNc1ccc(c(c1)CC)Br 34a_100010109747_100000748629 [0,2,0,0,0,0|2,0,0]=4 4001 B14R1.42 C=C(C)CNc1ccc(c(c1)CC)Br 7a_100010109747_100000748629 [0,2,0,0,0,0|2,0,0]=4 4002 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)Br 2230a_100000765947_100000748629 [0,2,0,0,0,0|1,0,0]=3 4003 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)Br 34a_100000765947_100000748629 [0,2,0,0,0,0|1,0,0]=3 4004 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)C 2230a_100011279678_100000748629 [0,2,0,0,0,0|1,0,0]=3 4005 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)C 34a_100011279678_100000748629 [0,2,0,0,0,0|1,0,0]=3 4006 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000748629 [0,2,0,0,0,0|1,0,0]=3 4007 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)Cl 34a_100000742311_100000748629 [0,2,0,0,0,0|1,0,0]=3 4008 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)F 2230a_100000701188_100000748629 [0,2,0,0,0,0|1,0,0]=3 4009 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)F 34a_100000701188_100000748629 [0,2,0,0,0,0|1,0,0]=3 4010 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)I 34a_100000746945_100000748629 [0,2,0,0,0,0|1,0,0]=3 4011 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)O 34a_100000726020_100000748629 [0,2,0,0,0,0|0,0,0]=2 4012 B14R1.42 C=C(C)COc1ccc(c(c1)CC)Cl 34a_100000212063_100000748629 [0,2,0,0,0,0|2,0,0]=4 4013 B14R1.42 C=C(C)COc1ccc(c(c1)CC)Cl 7a_100000212063_100000748629 [0,2,0,0,0,0|2,0,0]=4 4014 B14R1.42 C=C(C)COc1ccc(c(c1)OC)Br 34a_100011827694_100000748629 [0,2,0,0,0,0|1,0,0]=3 4015 B14R1.42 C=C(C)COc1ccc(c(c1)OC)Br 7a_100011827694_100000748629 [0,2,0,0,0,0|1,0,0]=3 4016 B14R1.42 C=C(C)COc1ccc(c(c1)OC)C 34a_100009865632_100000748629 [0,2,0,0,0,0|1,0,0]=3 4017 B14R1.42 C=C(C)COc1ccc(c(c1)OC)C 7a_100009865632_100000748629 [0,2,0,0,0,0|1,0,0]=3 4018 B14R1.42 C=C(C)COc1ccc(c(c1)OC)Cl 34a_100012186310_100000748629 [0,2,0,0,0,0|1,0,0]=3 4019 B14R1.42 C=C(C)COc1ccc(c(c1)OC)Cl 7a_100012186310_100000748629 [0,2,0,0,0,0|1,0,0]=3 4020 B14R1.42 C=C(C)COc1ccc(c(c1)OC)F 34a_100012001760_100000748629 [0,2,0,0,0,0|1,0,0]=3 4021 B14R1.42 C=C(C)COc1ccc(c(c1)OC)F 7a_100012001760_100000748629 [0,2,0,0,0,0|1,0,0]=3 4022 B14R1.42 C=C(C)COc1ccc(c(c1)OC)N 34a_100015326901_100000748629 [0,2,0,0,0,0|1,0,0]=3 4023 B14R1.42 C=C(C)COc1ccc(c(c1)OC)N 7a_100015326901_100000748629 [0,2,0,0,0,0|1,0,0]=3 4024 B14R1.42 C=C(C)CSc1c[nH]c(=O)c(c1)OC 62a_100000748629_100010125397 [0,2,0,0,0,0|1,0,1]=4 4025 B14R1.42 C=C(C)CSc1cc(c(cn1)C)OC 62a_100000748629_100010067687 [0,2,0,0,0,0|2,0,0]=4 4026 B14R1.42 C=C(C)CSc1cc(c(cn1)C)OC 62a_100010067687_100000211660 [0,2,0,0,0,0|2,0,0]=4 4027 B14R1.42 C=C(C)CSc1cc(c(cn1)F)OC 62a_100000748629_200010136270 [0,2,0,0,0,0|2,0,0]=4 4028 B14R1.42 C=C(C)CSc1cc(c(cn1)F)OC 62a_200010136270_100000211660 [0,2,0,0,0,0|2,0,0]=4 4029 B14R1.42 C=C(C)CSc1cc(c(cn1)N)OC 62a_100000748629_100009887741 [0,2,0,0,0,0|2,0,0]=4 4030 B14R1.42 C=C(C)CSc1cc(c(cn1)N)OC 62a_100009887741_100000211660 [0,2,0,0,0,0|2,0,0]=4 4031 B14R1.42 C=C(C)CSc1ccc(c(c1)C#N)O 62a_100000748629_100000687585 [0,2,0,0,0,0|2,0,0]=4 4032 B14R1.42 C=C(C)CSc1ccc(c(c1)C=O)O 62a_100000748629_100000186750 [0,2,0,0,0,0|2,0,0]=4 4033 B14R1.42 C=C(C)CSc1ccc(c(c1)CC)Br 62a_100000748629_100010244631 [0,2,0,0,0,0|2,0,0]=4 4034 B14R1.42 C=C(C)CSc1ccc(c(c1)CC)Br 62a_100010244631_100000211660 [0,2,0,0,0,0|2,0,0]=4 4035 B14R1.42 C=C(C)CSc1ccc(c(c1)CC)F 62a_100000748629_100010244625 [0,2,0,0,0,0|2,0,0]=4 4036 B14R1.42 C=C(C)CSc1ccc(c(c1)CC)F 62a_100010244625_100000211660 [0,2,0,0,0,0|2,0,0]=4 4037 B14R1.42 C=C(C)CSc1ccc(c(c1)CC)N 62a_100000686106_100000211660 [0,2,0,0,0,0|2,0,0]=4 4038 B14R1.42 C=C(C)CSc1ccc(c(c1)CC)N 62a_100000748629_100000686106 [0,2,0,0,0,0|2,0,0]=4 4039 B14R1.42 C=C(C)CSc1ccc(c(c1)CC)O 62a_100000748629_100012338938 [0,2,0,0,0,0|1,0,0]=3 4040 B14R1.42 C=C(C)CSc1ccc(c(c1)CN)O 62a_100000730032_100000211660 [0,2,0,0,0,0|2,0,0]=4 4041 B14R1.42 C=C(C)CSc1ccc(c(c1)CN)O 62a_100000748629_100000730032 [0,2,0,0,0,0|2,0,0]=4 4042 B14R1.42 C=C(C)CSc1ccc(c(c1)CO)O 62a_100000184703_100000211660 [0,2,0,0,0,0|2,0,0]=4 4043 B14R1.42 C=C(C)CSc1ccc(c(c1)CO)O 62a_100000748629_100000184703 [0,2,0,0,0,0|2,0,0]=4 4044 B14R1.42 C=C(C)CSc1ccc(c(c1)NC)C 62a_100000748629_100020629602 [0,2,0,0,0,0|2,0,0]=4 4045 B14R1.42 C=C(C)CSc1ccc(c(c1)NC)C 62a_100020629602_100000211660 [0,2,0,0,0,0|2,0,0]=4 4046 B14R1.42 C=C(C)CSc1ccc(c(c1)NC)F 62a_100000748629_100011314990 [0,2,0,0,0,0|2,0,0]=4 4047 B14R1.42 C=C(C)CSc1ccc(c(c1)NC)F 62a_100011314990_100000211660 [0,2,0,0,0,0|2,0,0]=4 4048 B14R1.42 C=C(C)CSc1ccc(c(c1)NC)N 62a_100000694363_100000211660 [0,2,0,0,0,0|2,0,0]=4 4049 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)Br 62a_100000748629_100012353699 [0,2,0,0,0,0|1,0,0]=3 4050 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)Br 62a_100012353699_100000211660 [0,2,0,0,0,0|1,0,0]=3 4051 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)C 62a_100000748629_100011830276 [0,2,0,0,0,0|1,0,0]=3 4052 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)C 62a_100011830276_100000211660 [0,2,0,0,0,0|1,0,0]=3 4053 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)Cl 62a_100000748629_100011356853 [0,2,0,0,0,0|1,0,0]=3 4054 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)Cl 62a_100011356853_100000211660 [0,2,0,0,0,0|1,0,0]=3 4055 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)F 62a_100000748629_100011934186 [0,2,0,0,0,0|1,0,0]=3 4056 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)F 62a_100011934186_100000211660 [0,2,0,0,0,0|1,0,0]=3 4057 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)N 62a_100000748629_100015196925 [0,2,0,0,0,0|1,0,0]=3 4058 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)N 62a_100011279103_100000211660 [0,2,0,0,0,0|1,0,0]=3 4059 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)O 62a_100000748629_100000694246 [0,2,0,0,0,0|0,0,0]=2 4060 B14R1.42 C=C(C)CSc1ccc(c(c1)SC)F 62a_100000748629_100010341305 [0,2,0,0,0,0|1,1,0]=4 4061 B14R1.42 C=C(C)CSc1ccc(c(c1)SC)F 62a_100010341305_100000211660 [0,2,0,0,0,0|1,1,0]=4 4062 B14R1.42 C=C(C)CSc1ccc(c(n1)OC)N 62a_100000687816_100000211660 [0,2,0,0,0,0|2,0,0]=4 4063 B14R1.42 C=C(C)CSc1ccc(c(n1)OC)N 62a_100000748629_100000687816 [0,2,0,0,0,0|2,0,0]=4 4064 B14R1.42 C=C(C)CSc1ccc(c(n1)OC)O 62a_100000748629_100010893133 [0,2,0,0,0,0|1,0,0]=3 4065 B14R1.42 C=C(C)CSc1cnc(c(c1)OC)C 62a_100000748629_100010254219 [0,2,0,0,0,0|2,0,0]=4 4066 B14R1.42 C=C(C)CSc1cnc(c(c1)OC)C 62a_100010254219_100000211660 [0,2,0,0,0,0|2,0,0]=4 4067 B14R1.42 C=C(C)CSc1cnc(c(c1)OC)F 62a_100000748629_100010214931 [0,2,0,0,0,0|2,0,0]=4 4068 B14R1.42 C=C(C)CSc1cnc(c(c1)OC)F 62a_100010214931_100000211660 [0,2,0,0,0,0|2,0,0]=4 4069 B14R1.42 C=C(C)CSc1cnc(c(c1)OC)N 62a_100000748629_106354213024 [0,2,0,0,0,0|2,0,0]=4 4070 B14R1.42 C=C(C)CSc1cnc(c(c1)OC)N 62a_106354213024_100000211660 [0,2,0,0,0,0|2,0,0]=4 4071 B14R1.42 C=C(C)CSc1cnc(c(n1)OC)O 62a_100000748629_200010365344 [0,2,0,0,0,0|2,0,0]=4 4072 B14R1.42 C=C(C)CSc1cnc(c(n1)OC)O 62a_200010365344_100000211660 [0,2,0,0,0,0|2,0,0]=4 4073 B14R1.42 C=C(F)CNc1ccc(c(c1)C#N)O 34a_100011249283_100009893438 [0,2,0,0,0,0|2,0,0]=4 4074 B14R1.42 C=C(F)CNc1ccc(c(c1)CC)Br 2230a_100010109747_100009893438 [0,2,0,0,0,0|2,0,0]=4 4075 B14R1.42 C=C(F)CNc1ccc(c(c1)CC)Br 34a_100010109747_100009893438 [0,2,0,0,0,0|2,0,0]=4 4076 B14R1.42 C=C(F)CNc1ccc(c(c1)CC)Br 7a_100010109747_100000042424 [0,2,0,0,0,0|2,0,0]=4 4077 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)Br 2230a_100000765947_100009893438 [0,2,0,0,0,0|1,0,0]=3 4078 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)Br 34a_100000765947_100009893438 [0,2,0,0,0,0|1,0,0]=3 4079 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)C 2230a_100011279678_100009893438 [0,2,0,0,0,0|1,0,0]=3 4080 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)C 34a_100011279678_100009893438 [0,2,0,0,0,0|1,0,0]=3 4081 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)Cl 2230a_100000742311_100009893438 [0,2,0,0,0,0|1,0,0]=3 4082 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)Cl 34a_100000742311_100009893438 [0,2,0,0,0,0|1,0,0]=3 4083 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)F 2230a_100000701188_100009893438 [0,2,0,0,0,0|1,0,0]=3 4084 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)F 34a_100000701188_100009893438 [0,2,0,0,0,0|1,0,0]=3 4085 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)I 34a_100000746945_100009893438 [0,2,0,0,0,0|1,0,0]=3 4086 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)O 34a_100000726020_100009893438 [0,2,0,0,0,0|0,0,0]=2 4087 B14R1.42 C=C(F)COc1ccc(c(c1)CC)Cl 34a_100000212063_100009893438 [0,2,0,0,0,0|2,0,0]=4 4088 B14R1.42 C=C(F)COc1ccc(c(c1)CC)Cl 7a_100000212063_100000042424 [0,2,0,0,0,0|2,0,0]=4 4089 B14R1.42 C=C(F)COc1ccc(c(c1)OC)Br 34a_100011827694_100009893438 [0,2,0,0,0,0|1,0,0]=3 4090 B14R1.42 C=C(F)COc1ccc(c(c1)OC)Br 7a_100011827694_100000042424 [0,2,0,0,0,0|1,0,0]=3 4091 B14R1.42 C=C(F)COc1ccc(c(c1)OC)C 34a_100009865632_100009893438 [0,2,0,0,0,0|1,0,0]=3 4092 B14R1.42 C=C(F)COc1ccc(c(c1)OC)C 7a_100009865632_100000042424 [0,2,0,0,0,0|1,0,0]=3 4093 B14R1.42 C=C(F)COc1ccc(c(c1)OC)Cl 34a_100012186310_100009893438 [0,2,0,0,0,0|1,0,0]=3 4094 B14R1.42 C=C(F)COc1ccc(c(c1)OC)Cl 7a_100012186310_100000042424 [0,2,0,0,0,0|1,0,0]=3 4095 B14R1.42 C=C(F)COc1ccc(c(c1)OC)F 34a_100012001760_100009893438 [0,2,0,0,0,0|1,0,0]=3 4096 B14R1.42 C=C(F)COc1ccc(c(c1)OC)F 7a_100012001760_100000042424 [0,2,0,0,0,0|1,0,0]=3 4097 B14R1.42 C=C(F)COc1ccc(c(c1)OC)N 34a_100015326901_100009893438 [0,2,0,0,0,0|1,0,0]=3 4098 B14R1.42 C=C(F)COc1ccc(c(c1)OC)N 7a_100015326901_100000042424 [0,2,0,0,0,0|1,0,0]=3 4099 B14R1.42 C=C(F)CSc1c[nH]c(=O)c(c1)OC 62a_100000042424_100010125397 [0,2,0,0,0,0|1,0,1]=4 4100 B14R1.42 C=C(F)CSc1cc(c(cn1)C)OC 62a_100000042424_100010067687 [0,2,0,0,0,0|2,0,0]=4 4101 B14R1.42 C=C(F)CSc1cc(c(cn1)C)OC 62a_100010067687_100000042424 [0,2,0,0,0,0|2,0,0]=4 4102 B14R1.42 C=C(F)CSc1cc(c(cn1)F)OC 62a_100000042424_200010136270 [0,2,0,0,0,0|2,0,0]=4 4103 B14R1.42 C=C(F)CSc1cc(c(cn1)F)OC 62a_200010136270_100000042424 [0,2,0,0,0,0|2,0,0]=4 4104 B14R1.42 C=C(F)CSc1cc(c(cn1)N)OC 62a_100000042424_100009887741 [0,2,0,0,0,0|2,0,0]=4 4105 B14R1.42 C=C(F)CSc1cc(c(cn1)N)OC 62a_100009887741_100000042424 [0,2,0,0,0,0|2,0,0]=4 4106 B14R1.42 C=C(F)CSc1ccc(c(c1)C#N)O 62a_100000042424_100000687585 [0,2,0,0,0,0|2,0,0]=4 4107 B14R1.42 C=C(F)CSc1ccc(c(c1)C=O)O 62a_100000042424_100000186750 [0,2,0,0,0,0|2,0,0]=4 4108 B14R1.42 C=C(F)CSc1ccc(c(c1)CC)Br 62a_100000042424_100010244631 [0,2,0,0,0,0|2,0,0]=4 4109 B14R1.42 C=C(F)CSc1ccc(c(c1)CC)Br 62a_100010244631_100000042424 [0,2,0,0,0,0|2,0,0]=4 4110 B14R1.42 C=C(F)CSc1ccc(c(c1)CC)F 62a_100000042424_100010244625 [0,2,0,0,0,0|2,0,0]=4 4111 B14R1.42 C=C(F)CSc1ccc(c(c1)CC)F 62a_100010244625_100000042424 [0,2,0,0,0,0|2,0,0]=4 4112 B14R1.42 C=C(F)CSc1ccc(c(c1)CC)N 62a_100000042424_100000686106 [0,2,0,0,0,0|2,0,0]=4 4113 B14R1.42 C=C(F)CSc1ccc(c(c1)CC)N 62a_100000686106_100000042424 [0,2,0,0,0,0|2,0,0]=4 4114 B14R1.42 C=C(F)CSc1ccc(c(c1)CC)O 62a_100000042424_100012338938 [0,2,0,0,0,0|1,0,0]=3 4115 B14R1.42 C=C(F)CSc1ccc(c(c1)CN)O 62a_100000042424_100000730032 [0,2,0,0,0,0|2,0,0]=4 4116 B14R1.42 C=C(F)CSc1ccc(c(c1)CN)O 62a_100000730032_100000042424 [0,2,0,0,0,0|2,0,0]=4 4117 B14R1.42 C=C(F)CSc1ccc(c(c1)CO)O 62a_100000042424_100000184703 [0,2,0,0,0,0|2,0,0]=4 4118 B14R1.42 C=C(F)CSc1ccc(c(c1)CO)O 62a_100000184703_100000042424 [0,2,0,0,0,0|2,0,0]=4 4119 B14R1.42 C=C(F)CSc1ccc(c(c1)NC)C 62a_100000042424_100020629602 [0,2,0,0,0,0|2,0,0]=4 4120 B14R1.42 C=C(F)CSc1ccc(c(c1)NC)C 62a_100020629602_100000042424 [0,2,0,0,0,0|2,0,0]=4 4121 B14R1.42 C=C(F)CSc1ccc(c(c1)NC)F 62a_100000042424_100011314990 [0,2,0,0,0,0|2,0,0]=4 4122 B14R1.42 C=C(F)CSc1ccc(c(c1)NC)F 62a_100011314990_100000042424 [0,2,0,0,0,0|2,0,0]=4 4123 B14R1.42 C=C(F)CSc1ccc(c(c1)NC)N 62a_100000694363_100000042424 [0,2,0,0,0,0|2,0,0]=4 4124 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)Br 62a_100000042424_100012353699 [0,2,0,0,0,0|1,0,0]=3 4125 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)Br 62a_100012353699_100000042424 [0,2,0,0,0,0|1,0,0]=3 4126 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)C 62a_100000042424_100011830276 [0,2,0,0,0,0|1,0,0]=3 4127 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)C 62a_100011830276_100000042424 [0,2,0,0,0,0|1,0,0]=3 4128 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)Cl 62a_100000042424_100011356853 [0,2,0,0,0,0|1,0,0]=3 4129 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)Cl 62a_100011356853_100000042424 [0,2,0,0,0,0|1,0,0]=3 4130 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)F 62a_100000042424_100011934186 [0,2,0,0,0,0|1,0,0]=3 4131 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)F 62a_100011934186_100000042424 [0,2,0,0,0,0|1,0,0]=3 4132 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)N 62a_100000042424_100015196925 [0,2,0,0,0,0|1,0,0]=3 4133 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)N 62a_100011279103_100000042424 [0,2,0,0,0,0|1,0,0]=3 4134 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)O 62a_100000042424_100000694246 [0,2,0,0,0,0|0,0,0]=2 4135 B14R1.42 C=C(F)CSc1ccc(c(c1)SC)F 62a_100000042424_100010341305 [0,2,0,0,0,0|1,1,0]=4 4136 B14R1.42 C=C(F)CSc1ccc(c(c1)SC)F 62a_100010341305_100000042424 [0,2,0,0,0,0|1,1,0]=4 4137 B14R1.42 C=C(F)CSc1ccc(c(n1)OC)N 62a_100000042424_100000687816 [0,2,0,0,0,0|2,0,0]=4 4138 B14R1.42 C=C(F)CSc1ccc(c(n1)OC)N 62a_100000687816_100000042424 [0,2,0,0,0,0|2,0,0]=4 4139 B14R1.42 C=C(F)CSc1ccc(c(n1)OC)O 62a_100000042424_100010893133 [0,2,0,0,0,0|1,0,0]=3 4140 B14R1.42 C=C(F)CSc1cnc(c(c1)OC)C 62a_100000042424_100010254219 [0,2,0,0,0,0|2,0,0]=4 4141 B14R1.42 C=C(F)CSc1cnc(c(c1)OC)C 62a_100010254219_100000042424 [0,2,0,0,0,0|2,0,0]=4 4142 B14R1.42 C=C(F)CSc1cnc(c(c1)OC)F 62a_100000042424_100010214931 [0,2,0,0,0,0|2,0,0]=4 4143 B14R1.42 C=C(F)CSc1cnc(c(c1)OC)F 62a_100010214931_100000042424 [0,2,0,0,0,0|2,0,0]=4 4144 B14R1.42 C=C(F)CSc1cnc(c(c1)OC)N 62a_100000042424_106354213024 [0,2,0,0,0,0|2,0,0]=4 4145 B14R1.42 C=C(F)CSc1cnc(c(c1)OC)N 62a_106354213024_100000042424 [0,2,0,0,0,0|2,0,0]=4 4146 B14R1.42 C=C(F)CSc1cnc(c(n1)OC)O 62a_100000042424_200010365344 [0,2,0,0,0,0|2,0,0]=4 4147 B14R1.42 C=C(F)CSc1cnc(c(n1)OC)O 62a_200010365344_100000042424 [0,2,0,0,0,0|2,0,0]=4 4148 B14R1.42 CCc1cc(ccc1O)SCC(=O)N 62a_100000747473_100012338938 [0,2,0,0,0,0|2,0,0]=4 4149 B14R1.42 CCc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100012338938 [0,2,0,0,0,0|2,0,0]=4 4150 B14R1.42 COc1cc(ccc1Br)C=CC(=O)C 1458a_100016267305_200000210301 [0,2,0,0,0,0|1,0,1]=4 4151 B14R1.42 COc1cc(ccc1Br)C=CC(=O)[13CH3] 1458a_100016267305_200025704644 [0,2,0,0,0,0|1,0,1]=4 4152 B14R1.42 COc1cc(ccc1Br)NCC(=O)N 2230a_100000765947_100000747473 [0,2,0,0,0,0|2,0,0]=4 4153 B14R1.42 COc1cc(ccc1Br)NCC(=O)N 34a_100000765947_100000187820 [0,2,0,0,0,0|2,0,0]=4 4154 B14R1.42 COc1cc(ccc1Br)NCC(=O)[O-] 34a_100000765947_100020667443 [0,2,0,0,0,0|2,0,0]=4 4155 B14R1.42 COc1cc(ccc1Br)OCC(=O)N 34a_100011827694_100000187820 [0,2,0,0,0,0|2,0,0]=4 4156 B14R1.42 COc1cc(ccc1Br)OCC(=O)N 7a_100011827694_100000187820 [0,2,0,0,0,0|2,0,0]=4 4157 B14R1.42 COc1cc(ccc1Br)OCC(=O)[O-] 34a_100011827694_100020667443 [0,2,0,0,0,0|2,0,0]=4 4158 B14R1.42 COc1cc(ccc1Br)SCC(=O)N 62a_100000747473_100012353699 [0,2,0,0,0,0|2,0,0]=4 4159 B14R1.42 COc1cc(ccc1Br)SCC(=O)N 62a_100012353699_100000747473 [0,2,0,0,0,0|2,0,0]=4 4160 B14R1.42 COc1cc(ccc1Br)SCC(=O)[O-] 62a_100012353699_100020667443 [0,2,0,0,0,0|2,0,0]=4 4161 B14R1.42 COc1cc(ccc1Br)SCC(=O)[O-] 62a_100020667443_100012353699 [0,2,0,0,0,0|2,0,0]=4 4162 B14R1.42 COc1cc(ccc1C)CCC(=O)C 1458a_200000066385_200000210301 [0,2,0,0,0,0|1,0,1]=4 4163 B14R1.42 COc1cc(ccc1C)CCC(=O)[13CH3] 1458a_200000066385_200025704644 [0,2,0,0,0,0|1,0,1]=4 4164 B14R1.42 COc1cc(ccc1C)NCC(=O)N 2230a_100011279678_100000747473 [0,2,0,0,0,0|2,0,0]=4 4165 B14R1.42 COc1cc(ccc1C)NCC(=O)N 34a_100011279678_100000187820 [0,2,0,0,0,0|2,0,0]=4 4166 B14R1.42 COc1cc(ccc1C)NCC(=O)[O-] 34a_100011279678_100020667443 [0,2,0,0,0,0|2,0,0]=4 4167 B14R1.42 COc1cc(ccc1C)OCC(=O)N 34a_100009865632_100000187820 [0,2,0,0,0,0|2,0,0]=4 4168 B14R1.42 COc1cc(ccc1C)OCC(=O)N 7a_100009865632_100000187820 [0,2,0,0,0,0|2,0,0]=4 4169 B14R1.42 COc1cc(ccc1C)OCC(=O)[O-] 34a_100009865632_100020667443 [0,2,0,0,0,0|2,0,0]=4 4170 B14R1.42 COc1cc(ccc1C)SCC(=O)N 62a_100000747473_100011830276 [0,2,0,0,0,0|2,0,0]=4 4171 B14R1.42 COc1cc(ccc1C)SCC(=O)N 62a_100011830276_100000747473 [0,2,0,0,0,0|2,0,0]=4 4172 B14R1.42 COc1cc(ccc1C)SCC(=O)[O-] 62a_100011830276_100020667443 [0,2,0,0,0,0|2,0,0]=4 4173 B14R1.42 COc1cc(ccc1C)SCC(=O)[O-] 62a_100020667443_100011830276 [0,2,0,0,0,0|2,0,0]=4 4174 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 11a_100015204853_100015343762 [0,2,0,0,0,0|1,0,1]=4 4175 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 1626a_100015204853_100015343762 [0,2,0,0,0,0|1,0,1]=4 4176 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 240690a_100015204853_100015343762 [0,2,0,0,0,0|1,0,1]=4 4177 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 527a_100015204853_100103153847 [0,2,0,0,0,0|1,0,1]=4 4178 B14R1.42 COc1cc(ccc1Cl)NCC(=O)N 2230a_100000742311_100000747473 [0,2,0,0,0,0|2,0,0]=4 4179 B14R1.42 COc1cc(ccc1Cl)NCC(=O)N 34a_100000742311_100000187820 [0,2,0,0,0,0|2,0,0]=4 4180 B14R1.42 COc1cc(ccc1Cl)NCC(=O)[O-] 34a_100000742311_100020667443 [0,2,0,0,0,0|2,0,0]=4 4181 B14R1.42 COc1cc(ccc1Cl)OCC(=O)N 34a_100012186310_100000187820 [0,2,0,0,0,0|2,0,0]=4 4182 B14R1.42 COc1cc(ccc1Cl)OCC(=O)N 7a_100012186310_100000187820 [0,2,0,0,0,0|2,0,0]=4 4183 B14R1.42 COc1cc(ccc1Cl)OCC(=O)[O-] 34a_100012186310_100020667443 [0,2,0,0,0,0|2,0,0]=4 4184 B14R1.42 COc1cc(ccc1Cl)SCC(=O)N 62a_100000747473_100011356853 [0,2,0,0,0,0|2,0,0]=4 4185 B14R1.42 COc1cc(ccc1Cl)SCC(=O)N 62a_100011356853_100000747473 [0,2,0,0,0,0|2,0,0]=4 4186 B14R1.42 COc1cc(ccc1Cl)SCC(=O)[O-] 62a_100011356853_100020667443 [0,2,0,0,0,0|2,0,0]=4 4187 B14R1.42 COc1cc(ccc1Cl)SCC(=O)[O-] 62a_100020667443_100011356853 [0,2,0,0,0,0|2,0,0]=4 4188 B14R1.42 COc1cc(ccc1F)CCC(=O)C 1458a_100009849056_200000210301 [0,2,0,0,0,0|1,0,1]=4 4189 B14R1.42 COc1cc(ccc1F)CCC(=O)[13CH3] 1458a_100009849056_200025704644 [0,2,0,0,0,0|1,0,1]=4 4190 B14R1.42 COc1cc(ccc1F)CNC(=O)C 11a_100020626639_100015343762 [0,2,0,0,0,0|1,0,1]=4 4191 B14R1.42 COc1cc(ccc1F)CNC(=O)C 1626a_100020626639_100015343762 [0,2,0,0,0,0|1,0,1]=4 4192 B14R1.42 COc1cc(ccc1F)CNC(=O)C 240690a_100020626639_100015343762 [0,2,0,0,0,0|1,0,1]=4 4193 B14R1.42 COc1cc(ccc1F)CNC(=O)C 527a_100020626639_100103153847 [0,2,0,0,0,0|1,0,1]=4 4194 B14R1.42 COc1cc(ccc1F)NCC(=O)N 2230a_100000701188_100000747473 [0,2,0,0,0,0|2,0,0]=4 4195 B14R1.42 COc1cc(ccc1F)NCC(=O)N 34a_100000701188_100000187820 [0,2,0,0,0,0|2,0,0]=4 4196 B14R1.42 COc1cc(ccc1F)NCC(=O)[O-] 34a_100000701188_100020667443 [0,2,0,0,0,0|2,0,0]=4 4197 B14R1.42 COc1cc(ccc1F)OCC(=O)N 34a_100012001760_100000187820 [0,2,0,0,0,0|2,0,0]=4 4198 B14R1.42 COc1cc(ccc1F)OCC(=O)N 7a_100012001760_100000187820 [0,2,0,0,0,0|2,0,0]=4 4199 B14R1.42 COc1cc(ccc1F)OCC(=O)[O-] 34a_100012001760_100020667443 [0,2,0,0,0,0|2,0,0]=4 4200 B14R1.42 COc1cc(ccc1F)SCC(=O)N 62a_100000747473_100011934186 [0,2,0,0,0,0|2,0,0]=4 4201 B14R1.42 COc1cc(ccc1F)SCC(=O)N 62a_100011934186_100000747473 [0,2,0,0,0,0|2,0,0]=4 4202 B14R1.42 COc1cc(ccc1F)SCC(=O)[O-] 62a_100011934186_100020667443 [0,2,0,0,0,0|2,0,0]=4 4203 B14R1.42 COc1cc(ccc1F)SCC(=O)[O-] 62a_100020667443_100011934186 [0,2,0,0,0,0|2,0,0]=4 4204 B14R1.42 COc1cc(ccc1I)NCC(=O)N 34a_100000746945_100000187820 [0,2,0,0,0,0|2,0,0]=4 4205 B14R1.42 COc1cc(ccc1I)NCC(=O)[O-] 34a_100000746945_100020667443 [0,2,0,0,0,0|2,0,0]=4 4206 B14R1.42 COc1cc(ccc1N)OCC(=O)N 34a_100015326901_100000187820 [0,2,0,0,0,0|2,0,0]=4 4207 B14R1.42 COc1cc(ccc1N)OCC(=O)N 7a_100015326901_100000187820 [0,2,0,0,0,0|2,0,0]=4 4208 B14R1.42 COc1cc(ccc1N)OCC(=O)[O-] 34a_100015326901_100020667443 [0,2,0,0,0,0|2,0,0]=4 4209 B14R1.42 COc1cc(ccc1N)SCC(=O)N 62a_100000747473_100015196925 [0,2,0,0,0,0|2,0,0]=4 4210 B14R1.42 COc1cc(ccc1N)SCC(=O)N 62a_100011279103_100000747473 [0,2,0,0,0,0|2,0,0]=4 4211 B14R1.42 COc1cc(ccc1N)SCC(=O)[O-] 62a_100011279103_100020667443 [0,2,0,0,0,0|2,0,0]=4 4212 B14R1.42 COc1cc(ccc1N)SCC(=O)[O-] 62a_100020667443_100015196925 [0,2,0,0,0,0|2,0,0]=4 4213 B14R1.42 COc1cc(ccc1O)C=CC(=O)C 1458a_100000182119_200000210301 [0,2,0,0,0,0|0,0,1]=3 4214 B14R1.42 COc1cc(ccc1O)C=CC(=O)[13CH3] 1458a_100000182119_200025704644 [0,2,0,0,0,0|0,0,1]=3 4215 B14R1.42 COc1cc(ccc1O)C=CC(C)C 271570a_100016257149_100000694246 [0,2,0,0,0,0|0,0,2]=4 4216 B14R1.42 COc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000694246 [0,2,0,0,0,0|0,0,2]=4 4217 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100000070787_100010741665 [0,2,0,0,0,0|0,0,1]=3 4218 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100011216321_200000210301 [0,2,0,0,0,0|0,0,1]=3 4219 B14R1.42 COc1cc(ccc1O)CCC(=O)[13CH3] 1458a_100011216321_200025704644 [0,2,0,0,0,0|0,0,1]=3 4220 B14R1.42 COc1cc(ccc1O)CCN(C)C 2230a_100102631434_100010741665 [0,2,0,0,0,0|0,0,2]=4 4221 B14R1.42 COc1cc(ccc1O)CCN(C)C 269982a_100102631434_100010741665 [0,2,0,0,0,0|0,0,2]=4 4222 B14R1.42 COc1cc(ccc1O)CNC(=O)C 11a_100000185554_100015343762 [0,2,0,0,0,0|0,0,1]=3 4223 B14R1.42 COc1cc(ccc1O)CNC(=O)C 240690a_100000185554_100015343762 [0,2,0,0,0,0|0,0,1]=3 4224 B14R1.42 COc1cc(ccc1O)CNC(=O)C 527a_100000185554_100103153847 [0,2,0,0,0,0|0,0,1]=3 4225 B14R1.42 COc1cc(ccc1O)CNC(C)C 34a_100000185554_100000210206 [0,2,0,0,0,0|0,0,2]=4 4226 B14R1.42 COc1cc(ccc1O)NCC(=O)N 34a_100000726020_100000187820 [0,2,0,0,0,0|1,0,0]=3 4227 B14R1.42 COc1cc(ccc1O)NCC(=O)[O-] 34a_100000726020_100020667443 [0,2,0,0,0,0|1,0,0]=3 4228 B14R1.42 COc1cc(ccc1O)NCC(C)C 34a_100000726020_100000210624 [0,2,0,0,0,0|0,0,2]=4 4229 B14R1.42 COc1cc(ccc1O)NCC(C)O 34a_100000726020_100011218427 [0,2,0,0,0,0|0,0,2]=4 4230 B14R1.42 COc1cc(ccc1O)NCC(F)F 34a_100000726020_100011934356 [0,2,0,0,0,0|1,0,1]=4 4231 B14R1.42 COc1cc(ccc1O)NC[C@@H](C)O 34a_100000726020_100009817552 [0,2,0,0,0,0|0,0,2]=4 4232 B14R1.42 COc1cc(ccc1O)NC[N+](=O)[O-] 34a_100000726020_100000761209 [0,2,0,0,0,0|2,0,0]=4 4233 B14R1.42 COc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000694246 [0,2,0,0,0,0|1,0,0]=3 4234 B14R1.42 COc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000694246 [0,2,0,0,0,0|1,0,0]=3 4235 B14R1.42 COc1cc(ccc1O)SCC(C)C 62a_100000210624_100000694246 [0,2,0,0,0,0|0,0,2]=4 4236 B14R1.42 COc1cc(ccc1O)SCC(C)O 62a_100011218427_100000694246 [0,2,0,0,0,0|0,0,2]=4 4237 B14R1.42 COc1cc(ccc1O)SCC(F)F 62a_100011934356_100000694246 [0,2,0,0,0,0|1,0,1]=4 4238 B14R1.42 COc1cc(ccc1O)SC[C@@H](C)O 62a_100009817552_100000694246 [0,2,0,0,0,0|0,0,2]=4 4239 B14R1.42 COc1nc(ccc1O)SCC(=O)N 62a_100000747473_100010893133 [0,2,0,0,0,0|2,0,0]=4 4240 B14R1.42 COc1nc(ccc1O)SCC(=O)[O-] 62a_100020667443_100010893133 [0,2,0,0,0,0|2,0,0]=4 4241 B14R1.907 C#CCCNc1ccc(c(c1)OC)O 34a_100000726020_100000688953 [0,2,0,0,0,0|0,0,2]=4 4242 B14R1.907 C#CCCSc1ccc(c(c1)OC)O 62a_100000688953_100000694246 [0,2,0,0,0,0|0,0,2]=4 4243 B14R1.907 C#CCNCc1ccc(c(c1)OC)O 34a_100000185554_100000184674 [0,2,0,0,0,0|0,0,2]=4 4244 B14R1.907 C/C=C/CNc1ccc(c(c1)C#N)O 34a_100011249283_100102629194 [0,2,0,0,0,0|2,0,0]=4 4245 B14R1.907 C/C=C/CNc1ccc(c(c1)CC)Br 34a_100010109747_100102629194 [0,2,0,0,0,0|2,0,0]=4 4246 B14R1.907 C/C=C/CNc1ccc(c(c1)CC)Br 7a_100010109747_100102629194 [0,2,0,0,0,0|2,0,0]=4 4247 B14R1.907 C/C=C/CNc1ccc(c(c1)OC)Br 34a_100000765947_100102629194 [0,2,0,0,0,0|1,0,0]=3 4248 B14R1.907 C/C=C/CNc1ccc(c(c1)OC)C 34a_100011279678_100102629194 [0,2,0,0,0,0|1,0,0]=3 4249 B14R1.907 C/C=C/CNc1ccc(c(c1)OC)Cl 34a_100000742311_100102629194 [0,2,0,0,0,0|1,0,0]=3 4250 B14R1.907 C/C=C/CNc1ccc(c(c1)OC)F 34a_100000701188_100102629194 [0,2,0,0,0,0|1,0,0]=3 4251 B14R1.907 C/C=C/CNc1ccc(c(c1)OC)I 34a_100000746945_100102629194 [0,2,0,0,0,0|1,0,0]=3 4252 B14R1.907 C/C=C/CNc1ccc(c(c1)OC)O 34a_100000726020_100102629194 [0,2,0,0,0,0|0,0,0]=2 4253 B14R1.907 C/C=C/COc1ccc(c(c1)CC)Cl 34a_100000212063_100102629194 [0,2,0,0,0,0|2,0,0]=4 4254 B14R1.907 C/C=C/COc1ccc(c(c1)CC)Cl 7a_100000212063_100102629194 [0,2,0,0,0,0|2,0,0]=4 4255 B14R1.907 C/C=C/COc1ccc(c(c1)OC)Br 34a_100011827694_100102629194 [0,2,0,0,0,0|1,0,0]=3 4256 B14R1.907 C/C=C/COc1ccc(c(c1)OC)Br 7a_100011827694_100102629194 [0,2,0,0,0,0|1,0,0]=3 4257 B14R1.907 C/C=C/COc1ccc(c(c1)OC)C 34a_100009865632_100102629194 [0,2,0,0,0,0|1,0,0]=3 4258 B14R1.907 C/C=C/COc1ccc(c(c1)OC)C 7a_100009865632_100102629194 [0,2,0,0,0,0|1,0,0]=3 4259 B14R1.907 C/C=C/COc1ccc(c(c1)OC)Cl 34a_100012186310_100102629194 [0,2,0,0,0,0|1,0,0]=3 4260 B14R1.907 C/C=C/COc1ccc(c(c1)OC)Cl 7a_100012186310_100102629194 [0,2,0,0,0,0|1,0,0]=3 4261 B14R1.907 C/C=C/COc1ccc(c(c1)OC)F 34a_100012001760_100102629194 [0,2,0,0,0,0|1,0,0]=3 4262 B14R1.907 C/C=C/COc1ccc(c(c1)OC)F 7a_100012001760_100102629194 [0,2,0,0,0,0|1,0,0]=3 4263 B14R1.907 C/C=C/COc1ccc(c(c1)OC)N 34a_100015326901_100102629194 [0,2,0,0,0,0|1,0,0]=3 4264 B14R1.907 C/C=C/COc1ccc(c(c1)OC)N 7a_100015326901_100102629194 [0,2,0,0,0,0|1,0,0]=3 4265 B14R1.907 C/C=C/CSc1c[nH]c(=O)c(c1)OC 62a_100102629194_100010125397 [0,2,0,0,0,0|1,0,1]=4 4266 B14R1.907 C/C=C/CSc1cc(c(cn1)C)OC 62a_100010067687_100102629194 [0,2,0,0,0,0|2,0,0]=4 4267 B14R1.907 C/C=C/CSc1cc(c(cn1)C)OC 62a_100102629194_100010067687 [0,2,0,0,0,0|2,0,0]=4 4268 B14R1.907 C/C=C/CSc1cc(c(cn1)F)OC 62a_100102629194_200010136270 [0,2,0,0,0,0|2,0,0]=4 4269 B14R1.907 C/C=C/CSc1cc(c(cn1)F)OC 62a_200010136270_100102629194 [0,2,0,0,0,0|2,0,0]=4 4270 B14R1.907 C/C=C/CSc1cc(c(cn1)N)OC 62a_100009887741_100102629194 [0,2,0,0,0,0|2,0,0]=4 4271 B14R1.907 C/C=C/CSc1cc(c(cn1)N)OC 62a_100102629194_100009887741 [0,2,0,0,0,0|2,0,0]=4 4272 B14R1.907 C/C=C/CSc1ccc(c(c1)C#N)O 62a_100102629194_100000687585 [0,2,0,0,0,0|2,0,0]=4 4273 B14R1.907 C/C=C/CSc1ccc(c(c1)C=O)O 62a_100102629194_100000186750 [0,2,0,0,0,0|2,0,0]=4 4274 B14R1.907 C/C=C/CSc1ccc(c(c1)CC)Br 62a_100010244631_100102629194 [0,2,0,0,0,0|2,0,0]=4 4275 B14R1.907 C/C=C/CSc1ccc(c(c1)CC)Br 62a_100102629194_100010244631 [0,2,0,0,0,0|2,0,0]=4 4276 B14R1.907 C/C=C/CSc1ccc(c(c1)CC)F 62a_100010244625_100102629194 [0,2,0,0,0,0|2,0,0]=4 4277 B14R1.907 C/C=C/CSc1ccc(c(c1)CC)F 62a_100102629194_100010244625 [0,2,0,0,0,0|2,0,0]=4 4278 B14R1.907 C/C=C/CSc1ccc(c(c1)CC)N 62a_100000686106_100102629194 [0,2,0,0,0,0|2,0,0]=4 4279 B14R1.907 C/C=C/CSc1ccc(c(c1)CC)N 62a_100102629194_100000686106 [0,2,0,0,0,0|2,0,0]=4 4280 B14R1.907 C/C=C/CSc1ccc(c(c1)CC)O 62a_100102629194_100012338938 [0,2,0,0,0,0|1,0,0]=3 4281 B14R1.907 C/C=C/CSc1ccc(c(c1)CN)O 62a_100000730032_100102629194 [0,2,0,0,0,0|2,0,0]=4 4282 B14R1.907 C/C=C/CSc1ccc(c(c1)CN)O 62a_100102629194_100000730032 [0,2,0,0,0,0|2,0,0]=4 4283 B14R1.907 C/C=C/CSc1ccc(c(c1)CO)O 62a_100000184703_100102629194 [0,2,0,0,0,0|2,0,0]=4 4284 B14R1.907 C/C=C/CSc1ccc(c(c1)CO)O 62a_100102629194_100000184703 [0,2,0,0,0,0|2,0,0]=4 4285 B14R1.907 C/C=C/CSc1ccc(c(c1)NC)C 62a_100020629602_100102629194 [0,2,0,0,0,0|2,0,0]=4 4286 B14R1.907 C/C=C/CSc1ccc(c(c1)NC)C 62a_100102629194_100020629602 [0,2,0,0,0,0|2,0,0]=4 4287 B14R1.907 C/C=C/CSc1ccc(c(c1)NC)F 62a_100011314990_100102629194 [0,2,0,0,0,0|2,0,0]=4 4288 B14R1.907 C/C=C/CSc1ccc(c(c1)NC)F 62a_100102629194_100011314990 [0,2,0,0,0,0|2,0,0]=4 4289 B14R1.907 C/C=C/CSc1ccc(c(c1)NC)N 62a_100000694363_100102629194 [0,2,0,0,0,0|2,0,0]=4 4290 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)Br 62a_100012353699_100102629194 [0,2,0,0,0,0|1,0,0]=3 4291 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)Br 62a_100102629194_100012353699 [0,2,0,0,0,0|1,0,0]=3 4292 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)C 62a_100011830276_100102629194 [0,2,0,0,0,0|1,0,0]=3 4293 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)C 62a_100102629194_100011830276 [0,2,0,0,0,0|1,0,0]=3 4294 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)Cl 62a_100011356853_100102629194 [0,2,0,0,0,0|1,0,0]=3 4295 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)Cl 62a_100102629194_100011356853 [0,2,0,0,0,0|1,0,0]=3 4296 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)F 62a_100011934186_100102629194 [0,2,0,0,0,0|1,0,0]=3 4297 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)F 62a_100102629194_100011934186 [0,2,0,0,0,0|1,0,0]=3 4298 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)N 62a_100011279103_100102629194 [0,2,0,0,0,0|1,0,0]=3 4299 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)N 62a_100102629194_100015196925 [0,2,0,0,0,0|1,0,0]=3 4300 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)O 62a_100102629194_100000694246 [0,2,0,0,0,0|0,0,0]=2 4301 B14R1.907 C/C=C/CSc1ccc(c(c1)SC)F 62a_100010341305_100102629194 [0,2,0,0,0,0|1,1,0]=4 4302 B14R1.907 C/C=C/CSc1ccc(c(c1)SC)F 62a_100102629194_100010341305 [0,2,0,0,0,0|1,1,0]=4 4303 B14R1.907 C/C=C/CSc1ccc(c(n1)OC)N 62a_100000687816_100102629194 [0,2,0,0,0,0|2,0,0]=4 4304 B14R1.907 C/C=C/CSc1ccc(c(n1)OC)N 62a_100102629194_100000687816 [0,2,0,0,0,0|2,0,0]=4 4305 B14R1.907 C/C=C/CSc1ccc(c(n1)OC)O 62a_100102629194_100010893133 [0,2,0,0,0,0|1,0,0]=3 4306 B14R1.907 C/C=C/CSc1cnc(c(c1)OC)C 62a_100010254219_100102629194 [0,2,0,0,0,0|2,0,0]=4 4307 B14R1.907 C/C=C/CSc1cnc(c(c1)OC)C 62a_100102629194_100010254219 [0,2,0,0,0,0|2,0,0]=4 4308 B14R1.907 C/C=C/CSc1cnc(c(c1)OC)F 62a_100010214931_100102629194 [0,2,0,0,0,0|2,0,0]=4 4309 B14R1.907 C/C=C/CSc1cnc(c(c1)OC)F 62a_100102629194_100010214931 [0,2,0,0,0,0|2,0,0]=4 4310 B14R1.907 C/C=C/CSc1cnc(c(c1)OC)N 62a_100102629194_106354213024 [0,2,0,0,0,0|2,0,0]=4 4311 B14R1.907 C/C=C/CSc1cnc(c(c1)OC)N 62a_106354213024_100102629194 [0,2,0,0,0,0|2,0,0]=4 4312 B14R1.907 C/C=C/CSc1cnc(c(n1)OC)O 62a_100102629194_200010365344 [0,2,0,0,0,0|2,0,0]=4 4313 B14R1.907 C/C=C/CSc1cnc(c(n1)OC)O 62a_200010365344_100102629194 [0,2,0,0,0,0|2,0,0]=4 4314 B14R1.907 C=CCCNc1ccc(c(c1)C#N)O 34a_100011249283_100000754431 [0,2,0,0,0,0|2,0,0]=4 4315 B14R1.907 C=CCCNc1ccc(c(c1)CC)Br 2230a_100010109747_100000754431 [0,2,0,0,0,0|2,0,0]=4 4316 B14R1.907 C=CCCNc1ccc(c(c1)CC)Br 34a_100010109747_100000754431 [0,2,0,0,0,0|2,0,0]=4 4317 B14R1.907 C=CCCNc1ccc(c(c1)CC)Br 7a_100010109747_100000754431 [0,2,0,0,0,0|2,0,0]=4 4318 B14R1.907 C=CCCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000754431 [0,2,0,0,0,0|1,0,0]=3 4319 B14R1.907 C=CCCNc1ccc(c(c1)OC)Br 34a_100000765947_100000754431 [0,2,0,0,0,0|1,0,0]=3 4320 B14R1.907 C=CCCNc1ccc(c(c1)OC)C 2230a_100011279678_100000754431 [0,2,0,0,0,0|1,0,0]=3 4321 B14R1.907 C=CCCNc1ccc(c(c1)OC)C 34a_100011279678_100000754431 [0,2,0,0,0,0|1,0,0]=3 4322 B14R1.907 C=CCCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000754431 [0,2,0,0,0,0|1,0,0]=3 4323 B14R1.907 C=CCCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000754431 [0,2,0,0,0,0|1,0,0]=3 4324 B14R1.907 C=CCCNc1ccc(c(c1)OC)F 2230a_100000701188_100000754431 [0,2,0,0,0,0|1,0,0]=3 4325 B14R1.907 C=CCCNc1ccc(c(c1)OC)F 34a_100000701188_100000754431 [0,2,0,0,0,0|1,0,0]=3 4326 B14R1.907 C=CCCNc1ccc(c(c1)OC)I 34a_100000746945_100000754431 [0,2,0,0,0,0|1,0,0]=3 4327 B14R1.907 C=CCCNc1ccc(c(c1)OC)O 34a_100000726020_100000754431 [0,2,0,0,0,0|0,0,0]=2 4328 B14R1.907 C=CCCOc1ccc(c(c1)CC)Cl 34a_100000212063_100000754431 [0,2,0,0,0,0|2,0,0]=4 4329 B14R1.907 C=CCCOc1ccc(c(c1)CC)Cl 7a_100000212063_100000754431 [0,2,0,0,0,0|2,0,0]=4 4330 B14R1.907 C=CCCOc1ccc(c(c1)OC)Br 34a_100011827694_100000754431 [0,2,0,0,0,0|1,0,0]=3 4331 B14R1.907 C=CCCOc1ccc(c(c1)OC)Br 7a_100011827694_100000754431 [0,2,0,0,0,0|1,0,0]=3 4332 B14R1.907 C=CCCOc1ccc(c(c1)OC)C 34a_100009865632_100000754431 [0,2,0,0,0,0|1,0,0]=3 4333 B14R1.907 C=CCCOc1ccc(c(c1)OC)C 7a_100009865632_100000754431 [0,2,0,0,0,0|1,0,0]=3 4334 B14R1.907 C=CCCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000754431 [0,2,0,0,0,0|1,0,0]=3 4335 B14R1.907 C=CCCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000754431 [0,2,0,0,0,0|1,0,0]=3 4336 B14R1.907 C=CCCOc1ccc(c(c1)OC)F 34a_100012001760_100000754431 [0,2,0,0,0,0|1,0,0]=3 4337 B14R1.907 C=CCCOc1ccc(c(c1)OC)F 7a_100012001760_100000754431 [0,2,0,0,0,0|1,0,0]=3 4338 B14R1.907 C=CCCOc1ccc(c(c1)OC)N 34a_100015326901_100000754431 [0,2,0,0,0,0|1,0,0]=3 4339 B14R1.907 C=CCCOc1ccc(c(c1)OC)N 7a_100015326901_100000754431 [0,2,0,0,0,0|1,0,0]=3 4340 B14R1.907 C=CCCSc1c[nH]c(=O)c(c1)OC 62a_100000754431_100010125397 [0,2,0,0,0,0|1,0,1]=4 4341 B14R1.907 C=CCCSc1cc(c(cn1)C)OC 62a_100000754431_100010067687 [0,2,0,0,0,0|2,0,0]=4 4342 B14R1.907 C=CCCSc1cc(c(cn1)C)OC 62a_100010067687_100000754431 [0,2,0,0,0,0|2,0,0]=4 4343 B14R1.907 C=CCCSc1cc(c(cn1)F)OC 62a_100000754431_200010136270 [0,2,0,0,0,0|2,0,0]=4 4344 B14R1.907 C=CCCSc1cc(c(cn1)F)OC 62a_200010136270_100000754431 [0,2,0,0,0,0|2,0,0]=4 4345 B14R1.907 C=CCCSc1cc(c(cn1)N)OC 62a_100000754431_100009887741 [0,2,0,0,0,0|2,0,0]=4 4346 B14R1.907 C=CCCSc1cc(c(cn1)N)OC 62a_100009887741_100000754431 [0,2,0,0,0,0|2,0,0]=4 4347 B14R1.907 C=CCCSc1ccc(c(c1)C#N)O 62a_100000754431_100000687585 [0,2,0,0,0,0|2,0,0]=4 4348 B14R1.907 C=CCCSc1ccc(c(c1)C=O)O 62a_100000754431_100000186750 [0,2,0,0,0,0|2,0,0]=4 4349 B14R1.907 C=CCCSc1ccc(c(c1)CC)Br 62a_100000754431_100010244631 [0,2,0,0,0,0|2,0,0]=4 4350 B14R1.907 C=CCCSc1ccc(c(c1)CC)Br 62a_100010244631_100000754431 [0,2,0,0,0,0|2,0,0]=4 4351 B14R1.907 C=CCCSc1ccc(c(c1)CC)F 62a_100000754431_100010244625 [0,2,0,0,0,0|2,0,0]=4 4352 B14R1.907 C=CCCSc1ccc(c(c1)CC)F 62a_100010244625_100000754431 [0,2,0,0,0,0|2,0,0]=4 4353 B14R1.907 C=CCCSc1ccc(c(c1)CC)N 62a_100000686106_100000754431 [0,2,0,0,0,0|2,0,0]=4 4354 B14R1.907 C=CCCSc1ccc(c(c1)CC)N 62a_100000754431_100000686106 [0,2,0,0,0,0|2,0,0]=4 4355 B14R1.907 C=CCCSc1ccc(c(c1)CC)O 62a_100000754431_100012338938 [0,2,0,0,0,0|1,0,0]=3 4356 B14R1.907 C=CCCSc1ccc(c(c1)CN)O 62a_100000730032_100000754431 [0,2,0,0,0,0|2,0,0]=4 4357 B14R1.907 C=CCCSc1ccc(c(c1)CN)O 62a_100000754431_100000730032 [0,2,0,0,0,0|2,0,0]=4 4358 B14R1.907 C=CCCSc1ccc(c(c1)CO)O 62a_100000184703_100000754431 [0,2,0,0,0,0|2,0,0]=4 4359 B14R1.907 C=CCCSc1ccc(c(c1)CO)O 62a_100000754431_100000184703 [0,2,0,0,0,0|2,0,0]=4 4360 B14R1.907 C=CCCSc1ccc(c(c1)NC)C 62a_100000754431_100020629602 [0,2,0,0,0,0|2,0,0]=4 4361 B14R1.907 C=CCCSc1ccc(c(c1)NC)C 62a_100020629602_100000754431 [0,2,0,0,0,0|2,0,0]=4 4362 B14R1.907 C=CCCSc1ccc(c(c1)NC)F 62a_100000754431_100011314990 [0,2,0,0,0,0|2,0,0]=4 4363 B14R1.907 C=CCCSc1ccc(c(c1)NC)F 62a_100011314990_100000754431 [0,2,0,0,0,0|2,0,0]=4 4364 B14R1.907 C=CCCSc1ccc(c(c1)NC)N 62a_100000694363_100000754431 [0,2,0,0,0,0|2,0,0]=4 4365 B14R1.907 C=CCCSc1ccc(c(c1)OC)Br 62a_100000754431_100012353699 [0,2,0,0,0,0|1,0,0]=3 4366 B14R1.907 C=CCCSc1ccc(c(c1)OC)Br 62a_100012353699_100000754431 [0,2,0,0,0,0|1,0,0]=3 4367 B14R1.907 C=CCCSc1ccc(c(c1)OC)C 62a_100000754431_100011830276 [0,2,0,0,0,0|1,0,0]=3 4368 B14R1.907 C=CCCSc1ccc(c(c1)OC)C 62a_100011830276_100000754431 [0,2,0,0,0,0|1,0,0]=3 4369 B14R1.907 C=CCCSc1ccc(c(c1)OC)Cl 62a_100000754431_100011356853 [0,2,0,0,0,0|1,0,0]=3 4370 B14R1.907 C=CCCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000754431 [0,2,0,0,0,0|1,0,0]=3 4371 B14R1.907 C=CCCSc1ccc(c(c1)OC)F 62a_100000754431_100011934186 [0,2,0,0,0,0|1,0,0]=3 4372 B14R1.907 C=CCCSc1ccc(c(c1)OC)F 62a_100011934186_100000754431 [0,2,0,0,0,0|1,0,0]=3 4373 B14R1.907 C=CCCSc1ccc(c(c1)OC)N 62a_100000754431_100015196925 [0,2,0,0,0,0|1,0,0]=3 4374 B14R1.907 C=CCCSc1ccc(c(c1)OC)N 62a_100011279103_100000754431 [0,2,0,0,0,0|1,0,0]=3 4375 B14R1.907 C=CCCSc1ccc(c(c1)OC)O 62a_100000754431_100000694246 [0,2,0,0,0,0|0,0,0]=2 4376 B14R1.907 C=CCCSc1ccc(c(c1)SC)F 62a_100000754431_100010341305 [0,2,0,0,0,0|1,1,0]=4 4377 B14R1.907 C=CCCSc1ccc(c(c1)SC)F 62a_100010341305_100000754431 [0,2,0,0,0,0|1,1,0]=4 4378 B14R1.907 C=CCCSc1ccc(c(n1)OC)N 62a_100000687816_100000754431 [0,2,0,0,0,0|2,0,0]=4 4379 B14R1.907 C=CCCSc1ccc(c(n1)OC)N 62a_100000754431_100000687816 [0,2,0,0,0,0|2,0,0]=4 4380 B14R1.907 C=CCCSc1ccc(c(n1)OC)O 62a_100000754431_100010893133 [0,2,0,0,0,0|1,0,0]=3 4381 B14R1.907 C=CCCSc1cnc(c(c1)OC)C 62a_100000754431_100010254219 [0,2,0,0,0,0|2,0,0]=4 4382 B14R1.907 C=CCCSc1cnc(c(c1)OC)C 62a_100010254219_100000754431 [0,2,0,0,0,0|2,0,0]=4 4383 B14R1.907 C=CCCSc1cnc(c(c1)OC)F 62a_100000754431_100010214931 [0,2,0,0,0,0|2,0,0]=4 4384 B14R1.907 C=CCCSc1cnc(c(c1)OC)F 62a_100010214931_100000754431 [0,2,0,0,0,0|2,0,0]=4 4385 B14R1.907 C=CCCSc1cnc(c(c1)OC)N 62a_100000754431_106354213024 [0,2,0,0,0,0|2,0,0]=4 4386 B14R1.907 C=CCCSc1cnc(c(c1)OC)N 62a_106354213024_100000754431 [0,2,0,0,0,0|2,0,0]=4 4387 B14R1.907 C=CCCSc1cnc(c(n1)OC)O 62a_100000754431_200010365344 [0,2,0,0,0,0|2,0,0]=4 4388 B14R1.907 C=CCCSc1cnc(c(n1)OC)O 62a_200010365344_100000754431 [0,2,0,0,0,0|2,0,0]=4 4389 B14R1.907 C=CCNCc1ccc(c(c1)CC)F 2230a_114873767189_100000210623 [0,2,0,0,0,0|2,0,0]=4 4390 B14R1.907 C=CCNCc1ccc(c(c1)CC)F 270004a_100020586998_100009840867 [0,2,0,0,0,0|2,0,0]=4 4391 B14R1.907 C=CCNCc1ccc(c(c1)CC)F 34a_114873767189_100015514636 [0,2,0,0,0,0|2,0,0]=4 4392 B14R1.907 C=CCNCc1ccc(c(c1)OC)Br 2230a_100020586998_100010110085 [0,2,0,0,0,0|1,0,0]=3 4393 B14R1.907 C=CCNCc1ccc(c(c1)OC)Br 270004a_100020586998_100010244714 [0,2,0,0,0,0|1,0,0]=3 4394 B14R1.907 C=CCNCc1ccc(c(c1)OC)C 270004a_100020586998_100000719150 [0,2,0,0,0,0|1,0,0]=3 4395 B14R1.907 C=CCNCc1ccc(c(c1)OC)Cl 2230a_100015204853_100000210623 [0,2,0,0,0,0|1,0,0]=3 4396 B14R1.907 C=CCNCc1ccc(c(c1)OC)Cl 2230a_100020586998_200010214485 [0,2,0,0,0,0|1,0,0]=3 4397 B14R1.907 C=CCNCc1ccc(c(c1)OC)Cl 270004a_100020586998_100011998524 [0,2,0,0,0,0|1,0,0]=3 4398 B14R1.907 C=CCNCc1ccc(c(c1)OC)Cl 34a_100015204853_100015514636 [0,2,0,0,0,0|1,0,0]=3 4399 B14R1.907 C=CCNCc1ccc(c(c1)OC)F 2230a_100020586998_100012349856 [0,2,0,0,0,0|1,0,0]=3 4400 B14R1.907 C=CCNCc1ccc(c(c1)OC)F 2230a_100020626639_100000210623 [0,2,0,0,0,0|1,0,0]=3 4401 B14R1.907 C=CCNCc1ccc(c(c1)OC)F 270004a_100020586998_100000692873 [0,2,0,0,0,0|1,0,0]=3 4402 B14R1.907 C=CCNCc1ccc(c(c1)OC)F 34a_100020626639_100015514636 [0,2,0,0,0,0|1,0,0]=3 4403 B14R1.907 C=CCNCc1ccc(c(c1)OC)O 34a_100000185554_100015514636 [0,2,0,0,0,0|0,0,0]=2 4404 B14R1.907 C=CCNCc1ccc(c(n1)OC)Br 2230a_100020586998_200010066506 [0,2,0,0,0,0|2,0,0]=4 4405 B14R1.907 C=CCOCc1cc(c(cn1)Br)OC 34a_100010999569_100015514636 [0,2,0,0,0,0|2,0,0]=4 4406 B14R1.907 C=CCOCc1ccc(c(c1)OC)Br 34a_100010234685_100015514636 [0,2,0,0,0,0|1,0,0]=3 4407 B14R1.907 C=CCOCc1ccc(c(c1)OC)Br 34a_200000210373_100010110085 [0,2,0,0,0,0|1,0,0]=3 4408 B14R1.907 C=CCOCc1ccc(c(c1)OC)Br 7a_100010234685_100015514636 [0,2,0,0,0,0|1,0,0]=3 4409 B14R1.907 C=CCOCc1ccc(c(c1)OC)C 34a_100000752651_100015514636 [0,2,0,0,0,0|1,0,0]=3 4410 B14R1.907 C=CCOCc1ccc(c(c1)OC)C 7a_100000752651_100015514636 [0,2,0,0,0,0|1,0,0]=3 4411 B14R1.907 C=CCOCc1ccc(c(c1)OC)Cl 34a_100012179228_100015514636 [0,2,0,0,0,0|1,0,0]=3 4412 B14R1.907 C=CCOCc1ccc(c(c1)OC)Cl 34a_200000210373_200010214485 [0,2,0,0,0,0|1,0,0]=3 4413 B14R1.907 C=CCOCc1ccc(c(c1)OC)F 34a_100000692429_100015514636 [0,2,0,0,0,0|1,0,0]=3 4414 B14R1.907 C=CCOCc1ccc(c(c1)OC)F 34a_200000210373_100012349856 [0,2,0,0,0,0|1,0,0]=3 4415 B14R1.907 C=CCOCc1ccc(c(c1)OC)F 7a_100000692429_100015514636 [0,2,0,0,0,0|1,0,0]=3 4416 B14R1.907 C=CCOCc1ccc(c(c1)OC)N 34a_100000087641_100015514636 [0,2,0,0,0,0|1,0,0]=3 4417 B14R1.907 C=CCOCc1ccc(c(n1)OC)Br 34a_200000210373_200010066506 [0,2,0,0,0,0|2,0,0]=4 4418 B14R1.907 C=CCSCc1ccc(c(c1)C=O)O 62a_100000210623_100000008128 [0,2,0,0,0,0|2,0,0]=4 4419 B14R1.907 C=CCSCc1ccc(c(c1)OC)Br 62a_100000210623_100010110085 [0,2,0,0,0,0|1,0,0]=3 4420 B14R1.907 C=CCSCc1ccc(c(c1)OC)Br 62a_100010110085_100000210623 [0,2,0,0,0,0|1,0,0]=3 4421 B14R1.907 C=CCSCc1ccc(c(c1)OC)Cl 62a_100000210623_200010214485 [0,2,0,0,0,0|1,0,0]=3 4422 B14R1.907 C=CCSCc1ccc(c(c1)OC)Cl 62a_200010214485_100000210623 [0,2,0,0,0,0|1,0,0]=3 4423 B14R1.907 C=CCSCc1ccc(c(c1)OC)F 62a_100000210623_100012349856 [0,2,0,0,0,0|1,0,0]=3 4424 B14R1.907 C=CCSCc1ccc(c(c1)OC)F 62a_100012349856_100000210623 [0,2,0,0,0,0|1,0,0]=3 4425 B14R1.907 C=CCSCc1ccc(c(n1)OC)Br 62a_100000210623_200010066506 [0,2,0,0,0,0|2,0,0]=4 4426 B14R1.907 C=CCSCc1ccc(c(n1)OC)Br 62a_200010066506_100000210623 [0,2,0,0,0,0|2,0,0]=4 4427 B14R1.907 CC#CCNc1ccc(c(c1)OC)O 34a_100000726020_100000748600 [0,2,0,0,0,0|0,0,2]=4 4428 B14R1.907 CC#CCSc1ccc(c(c1)OC)O 62a_100000748600_100000694246 [0,2,0,0,0,0|0,0,2]=4 4429 B14R1.907 CC=CCNc1ccc(c(c1)C#N)O 34a_100011249283_100000070051 [0,2,0,0,0,0|2,0,0]=4 4430 B14R1.907 CC=CCNc1ccc(c(c1)CC)Br 2230a_100010109747_100000070051 [0,2,0,0,0,0|2,0,0]=4 4431 B14R1.907 CC=CCNc1ccc(c(c1)CC)Br 34a_100010109747_100000070051 [0,2,0,0,0,0|2,0,0]=4 4432 B14R1.907 CC=CCNc1ccc(c(c1)CC)Br 7a_100010109747_100000070051 [0,2,0,0,0,0|2,0,0]=4 4433 B14R1.907 CC=CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000070051 [0,2,0,0,0,0|1,0,0]=3 4434 B14R1.907 CC=CCNc1ccc(c(c1)OC)Br 34a_100000765947_100000070051 [0,2,0,0,0,0|1,0,0]=3 4435 B14R1.907 CC=CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000070051 [0,2,0,0,0,0|1,0,0]=3 4436 B14R1.907 CC=CCNc1ccc(c(c1)OC)C 34a_100011279678_100000070051 [0,2,0,0,0,0|1,0,0]=3 4437 B14R1.907 CC=CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000070051 [0,2,0,0,0,0|1,0,0]=3 4438 B14R1.907 CC=CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000070051 [0,2,0,0,0,0|1,0,0]=3 4439 B14R1.907 CC=CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000070051 [0,2,0,0,0,0|1,0,0]=3 4440 B14R1.907 CC=CCNc1ccc(c(c1)OC)F 34a_100000701188_100000070051 [0,2,0,0,0,0|1,0,0]=3 4441 B14R1.907 CC=CCNc1ccc(c(c1)OC)I 34a_100000746945_100000070051 [0,2,0,0,0,0|1,0,0]=3 4442 B14R1.907 CC=CCNc1ccc(c(c1)OC)O 34a_100000726020_100000070051 [0,2,0,0,0,0|0,0,0]=2 4443 B14R1.907 CC=CCOc1ccc(c(c1)CC)Cl 34a_100000212063_100000070051 [0,2,0,0,0,0|2,0,0]=4 4444 B14R1.907 CC=CCOc1ccc(c(c1)CC)Cl 7a_100000212063_100000070051 [0,2,0,0,0,0|2,0,0]=4 4445 B14R1.907 CC=CCOc1ccc(c(c1)OC)Br 34a_100011827694_100000070051 [0,2,0,0,0,0|1,0,0]=3 4446 B14R1.907 CC=CCOc1ccc(c(c1)OC)Br 7a_100011827694_100000070051 [0,2,0,0,0,0|1,0,0]=3 4447 B14R1.907 CC=CCOc1ccc(c(c1)OC)C 34a_100009865632_100000070051 [0,2,0,0,0,0|1,0,0]=3 4448 B14R1.907 CC=CCOc1ccc(c(c1)OC)C 7a_100009865632_100000070051 [0,2,0,0,0,0|1,0,0]=3 4449 B14R1.907 CC=CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000070051 [0,2,0,0,0,0|1,0,0]=3 4450 B14R1.907 CC=CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000070051 [0,2,0,0,0,0|1,0,0]=3 4451 B14R1.907 CC=CCOc1ccc(c(c1)OC)F 34a_100012001760_100000070051 [0,2,0,0,0,0|1,0,0]=3 4452 B14R1.907 CC=CCOc1ccc(c(c1)OC)F 7a_100012001760_100000070051 [0,2,0,0,0,0|1,0,0]=3 4453 B14R1.907 CC=CCOc1ccc(c(c1)OC)N 34a_100015326901_100000070051 [0,2,0,0,0,0|1,0,0]=3 4454 B14R1.907 CC=CCOc1ccc(c(c1)OC)N 7a_100015326901_100000070051 [0,2,0,0,0,0|1,0,0]=3 4455 B14R1.907 CC=CCSc1c[nH]c(=O)c(c1)OC 62a_100000070051_100010125397 [0,2,0,0,0,0|1,0,1]=4 4456 B14R1.907 CC=CCSc1cc(c(cn1)C)OC 62a_100000070051_100010067687 [0,2,0,0,0,0|2,0,0]=4 4457 B14R1.907 CC=CCSc1cc(c(cn1)C)OC 62a_100010067687_100000070051 [0,2,0,0,0,0|2,0,0]=4 4458 B14R1.907 CC=CCSc1cc(c(cn1)F)OC 62a_100000070051_200010136270 [0,2,0,0,0,0|2,0,0]=4 4459 B14R1.907 CC=CCSc1cc(c(cn1)F)OC 62a_200010136270_100000070051 [0,2,0,0,0,0|2,0,0]=4 4460 B14R1.907 CC=CCSc1cc(c(cn1)N)OC 62a_100000070051_100009887741 [0,2,0,0,0,0|2,0,0]=4 4461 B14R1.907 CC=CCSc1cc(c(cn1)N)OC 62a_100009887741_100000070051 [0,2,0,0,0,0|2,0,0]=4 4462 B14R1.907 CC=CCSc1ccc(c(c1)C#N)O 62a_100000070051_100000687585 [0,2,0,0,0,0|2,0,0]=4 4463 B14R1.907 CC=CCSc1ccc(c(c1)C=O)O 62a_100000070051_100000186750 [0,2,0,0,0,0|2,0,0]=4 4464 B14R1.907 CC=CCSc1ccc(c(c1)CC)Br 62a_100000070051_100010244631 [0,2,0,0,0,0|2,0,0]=4 4465 B14R1.907 CC=CCSc1ccc(c(c1)CC)Br 62a_100010244631_100000070051 [0,2,0,0,0,0|2,0,0]=4 4466 B14R1.907 CC=CCSc1ccc(c(c1)CC)F 62a_100000070051_100010244625 [0,2,0,0,0,0|2,0,0]=4 4467 B14R1.907 CC=CCSc1ccc(c(c1)CC)F 62a_100010244625_100000070051 [0,2,0,0,0,0|2,0,0]=4 4468 B14R1.907 CC=CCSc1ccc(c(c1)CC)N 62a_100000070051_100000686106 [0,2,0,0,0,0|2,0,0]=4 4469 B14R1.907 CC=CCSc1ccc(c(c1)CC)N 62a_100000686106_100000070051 [0,2,0,0,0,0|2,0,0]=4 4470 B14R1.907 CC=CCSc1ccc(c(c1)CC)O 62a_100000070051_100012338938 [0,2,0,0,0,0|1,0,0]=3 4471 B14R1.907 CC=CCSc1ccc(c(c1)CN)O 62a_100000070051_100000730032 [0,2,0,0,0,0|2,0,0]=4 4472 B14R1.907 CC=CCSc1ccc(c(c1)CN)O 62a_100000730032_100000070051 [0,2,0,0,0,0|2,0,0]=4 4473 B14R1.907 CC=CCSc1ccc(c(c1)CO)O 62a_100000070051_100000184703 [0,2,0,0,0,0|2,0,0]=4 4474 B14R1.907 CC=CCSc1ccc(c(c1)CO)O 62a_100000184703_100000070051 [0,2,0,0,0,0|2,0,0]=4 4475 B14R1.907 CC=CCSc1ccc(c(c1)NC)C 62a_100000070051_100020629602 [0,2,0,0,0,0|2,0,0]=4 4476 B14R1.907 CC=CCSc1ccc(c(c1)NC)C 62a_100020629602_100000070051 [0,2,0,0,0,0|2,0,0]=4 4477 B14R1.907 CC=CCSc1ccc(c(c1)NC)F 62a_100000070051_100011314990 [0,2,0,0,0,0|2,0,0]=4 4478 B14R1.907 CC=CCSc1ccc(c(c1)NC)F 62a_100011314990_100000070051 [0,2,0,0,0,0|2,0,0]=4 4479 B14R1.907 CC=CCSc1ccc(c(c1)NC)N 62a_100000694363_100000070051 [0,2,0,0,0,0|2,0,0]=4 4480 B14R1.907 CC=CCSc1ccc(c(c1)OC)Br 62a_100000070051_100012353699 [0,2,0,0,0,0|1,0,0]=3 4481 B14R1.907 CC=CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000070051 [0,2,0,0,0,0|1,0,0]=3 4482 B14R1.907 CC=CCSc1ccc(c(c1)OC)C 62a_100000070051_100011830276 [0,2,0,0,0,0|1,0,0]=3 4483 B14R1.907 CC=CCSc1ccc(c(c1)OC)C 62a_100011830276_100000070051 [0,2,0,0,0,0|1,0,0]=3 4484 B14R1.907 CC=CCSc1ccc(c(c1)OC)Cl 62a_100000070051_100011356853 [0,2,0,0,0,0|1,0,0]=3 4485 B14R1.907 CC=CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000070051 [0,2,0,0,0,0|1,0,0]=3 4486 B14R1.907 CC=CCSc1ccc(c(c1)OC)F 62a_100000070051_100011934186 [0,2,0,0,0,0|1,0,0]=3 4487 B14R1.907 CC=CCSc1ccc(c(c1)OC)F 62a_100011934186_100000070051 [0,2,0,0,0,0|1,0,0]=3 4488 B14R1.907 CC=CCSc1ccc(c(c1)OC)N 62a_100000070051_100015196925 [0,2,0,0,0,0|1,0,0]=3 4489 B14R1.907 CC=CCSc1ccc(c(c1)OC)N 62a_100011279103_100000070051 [0,2,0,0,0,0|1,0,0]=3 4490 B14R1.907 CC=CCSc1ccc(c(c1)OC)O 62a_100000070051_100000694246 [0,2,0,0,0,0|0,0,0]=2 4491 B14R1.907 CC=CCSc1ccc(c(c1)SC)F 62a_100000070051_100010341305 [0,2,0,0,0,0|1,1,0]=4 4492 B14R1.907 CC=CCSc1ccc(c(c1)SC)F 62a_100010341305_100000070051 [0,2,0,0,0,0|1,1,0]=4 4493 B14R1.907 CC=CCSc1ccc(c(n1)OC)N 62a_100000070051_100000687816 [0,2,0,0,0,0|2,0,0]=4 4494 B14R1.907 CC=CCSc1ccc(c(n1)OC)N 62a_100000687816_100000070051 [0,2,0,0,0,0|2,0,0]=4 4495 B14R1.907 CC=CCSc1ccc(c(n1)OC)O 62a_100000070051_100010893133 [0,2,0,0,0,0|1,0,0]=3 4496 B14R1.907 CC=CCSc1cnc(c(c1)OC)C 62a_100000070051_100010254219 [0,2,0,0,0,0|2,0,0]=4 4497 B14R1.907 CC=CCSc1cnc(c(c1)OC)C 62a_100010254219_100000070051 [0,2,0,0,0,0|2,0,0]=4 4498 B14R1.907 CC=CCSc1cnc(c(c1)OC)F 62a_100000070051_100010214931 [0,2,0,0,0,0|2,0,0]=4 4499 B14R1.907 CC=CCSc1cnc(c(c1)OC)F 62a_100010214931_100000070051 [0,2,0,0,0,0|2,0,0]=4 4500 B14R1.907 CC=CCSc1cnc(c(c1)OC)N 62a_100000070051_106354213024 [0,2,0,0,0,0|2,0,0]=4 4501 B14R1.907 CC=CCSc1cnc(c(c1)OC)N 62a_106354213024_100000070051 [0,2,0,0,0,0|2,0,0]=4 4502 B14R1.907 CC=CCSc1cnc(c(n1)OC)O 62a_100000070051_200010365344 [0,2,0,0,0,0|2,0,0]=4 4503 B14R1.907 CC=CCSc1cnc(c(n1)OC)O 62a_200010365344_100000070051 [0,2,0,0,0,0|2,0,0]=4 4504 B14R1.907 CCCC=Cc1ccc(c(c1)OC)O 271570a_100016258520_100000694246 [0,2,0,0,0,0|0,0,2]=4 4505 B14R1.907 CCCCNc1ccc(c(c1)OC)O 34a_100000726020_100000210210 [0,2,0,0,0,0|0,0,2]=4 4506 B14R1.907 CCCCSc1ccc(c(c1)OC)O 62a_100000210211_100000694246 [0,2,0,0,0,0|0,0,2]=4 4507 B14R1.907 CCCNCc1ccc(c(c1)OC)O 34a_100000185554_100000210303 [0,2,0,0,0,0|0,0,2]=4 4508 B14R1.907 CCNCCc1ccc(c(c1)OC)O 2230a_100015525214_100010741665 [0,2,0,0,0,0|0,0,2]=4 4509 B14R1.907 CCNCCc1ccc(c(c1)OC)O 34a_100000756042_100000210202 [0,2,0,0,0,0|0,0,2]=4 4510 B14R1.907 CCOC=Cc1ccc(c(c1)OC)O 271570a_100016256518_100000694246 [0,2,0,0,0,0|0,0,2]=4 4511 B14R1.907 CCOCSc1ccc(c(c1)OC)O 62a_100000739092_100000694246 [0,2,0,0,0,0|0,0,2]=4 4512 B14R1.907 CCSCCc1ccc(c(c1)OC)O 62a_100000210202_100010741665 [0,2,0,0,0,0|0,0,2]=4 4513 B14R1.907 COCC=Cc1ccc(c(c1)OC)O 271570a_100016286323_100000694246 [0,2,0,0,0,0|0,0,2]=4 4514 B14R1.907 COCCNc1ccc(c(c1)OC)O 34a_100000726020_100011201679 [0,2,0,0,0,0|0,0,2]=4 4515 B14R1.907 COCCSc1ccc(c(c1)OC)O 62a_100000233755_100000694246 [0,2,0,0,0,0|0,0,2]=4 4516 B14R1.907 COc1cc(ccc1Br)COCC=O 34a_100010234685_200009817547 [0,2,0,0,0,0|1,0,1]=4 4517 B14R1.907 COc1cc(ccc1Br)COCC=O 7a_100010234685_200015260668 [0,2,0,0,0,0|1,0,1]=4 4518 B14R1.907 COc1cc(ccc1Br)CSCC=O 62a_100010110085_200015260668 [0,2,0,0,0,0|1,0,1]=4 4519 B14R1.907 COc1cc(ccc1Br)CSCC=O 62a_200015260668_100010110085 [0,2,0,0,0,0|1,0,1]=4 4520 B14R1.907 COc1cc(ccc1C)COCC=O 34a_100000752651_200009817547 [0,2,0,0,0,0|1,0,1]=4 4521 B14R1.907 COc1cc(ccc1C)COCC=O 7a_100000752651_200015260668 [0,2,0,0,0,0|1,0,1]=4 4522 B14R1.907 COc1cc(ccc1Cl)CNCC=O 2230a_100015204853_200015260668 [0,2,0,0,0,0|1,0,1]=4 4523 B14R1.907 COc1cc(ccc1Cl)CNCC=O 34a_100015204853_200009817547 [0,2,0,0,0,0|1,0,1]=4 4524 B14R1.907 COc1cc(ccc1Cl)COCC=O 34a_100012179228_200009817547 [0,2,0,0,0,0|1,0,1]=4 4525 B14R1.907 COc1cc(ccc1Cl)CSCC=O 62a_200010214485_200015260668 [0,2,0,0,0,0|1,0,1]=4 4526 B14R1.907 COc1cc(ccc1Cl)CSCC=O 62a_200015260668_200010214485 [0,2,0,0,0,0|1,0,1]=4 4527 B14R1.907 COc1cc(ccc1F)CNCC=O 2230a_100020626639_200015260668 [0,2,0,0,0,0|1,0,1]=4 4528 B14R1.907 COc1cc(ccc1F)CNCC=O 34a_100020626639_200009817547 [0,2,0,0,0,0|1,0,1]=4 4529 B14R1.907 COc1cc(ccc1F)COCC=O 34a_100000692429_200009817547 [0,2,0,0,0,0|1,0,1]=4 4530 B14R1.907 COc1cc(ccc1F)COCC=O 7a_100000692429_200015260668 [0,2,0,0,0,0|1,0,1]=4 4531 B14R1.907 COc1cc(ccc1F)CSCC=O 62a_100012349856_200015260668 [0,2,0,0,0,0|1,0,1]=4 4532 B14R1.907 COc1cc(ccc1F)CSCC=O 62a_200015260668_100012349856 [0,2,0,0,0,0|1,0,1]=4 4533 B14R1.907 COc1cc(ccc1N)COCC=O 34a_100000087641_200009817547 [0,2,0,0,0,0|1,0,1]=4 4534 B14R1.907 COc1cc(ccc1O)CCNCF 34a_100000756042_100015361967 [0,2,0,0,0,0|0,0,2]=4 4535 B14R1.907 COc1cc(ccc1O)CCSCF 62a_100015361967_100010741665 [0,2,0,0,0,0|0,0,2]=4 4536 B14R1.907 COc1cc(ccc1O)CNCC=O 34a_100000185554_200009817547 [0,2,0,0,0,0|0,0,1]=3 4537 B14R1.907 COc1cc(ccc1O)CNCCF 34a_100000185554_100011217306 [0,2,0,0,0,0|0,0,2]=4 4538 B14R1.907 COc1cc(ccc1O)CNCCO 34a_100000185554_100000211926 [0,2,0,0,0,0|0,0,2]=4 4539 B14R1.907 COc1cc(ccc1O)CNCSC 34a_100000185554_100011218213 [0,2,0,0,0,0|0,0,2]=4 4540 B14R1.907 COc1cc(ccc1O)NCCCF 34a_100000726020_100011934791 [0,2,0,0,0,0|0,0,2]=4 4541 B14R1.907 COc1cc(ccc1O)NCCCO 34a_100000726020_100000230001 [0,2,0,0,0,0|0,0,2]=4 4542 B14R1.907 COc1cc(ccc1O)NCCSC 34a_100000726020_100000212216 [0,2,0,0,0,0|0,0,2]=4 4543 B14R1.907 COc1cc(ccc1O)SCCC#N 62a_100011215226_100000694246 [0,2,0,0,0,0|0,0,2]=4 4544 B14R1.907 COc1cc(ccc1O)SCCCF 62a_100011934791_100000694246 [0,2,0,0,0,0|0,0,2]=4 4545 B14R1.907 COc1cc(ccc1O)SCCCO 62a_100011215043_100000694246 [0,2,0,0,0,0|0,0,2]=4 4546 B14R1.907 COc1cc(ccc1O)SCCSC 62a_100000212216_100000694246 [0,2,0,0,0,0|0,0,2]=4 4547 B14R1.907 COc1cc(ccc1O)SCSC#N 62a_100000211825_100000694246 [0,2,0,0,0,0|1,0,1]=4 4548 B14R1.1362 C=CCNc1ccc(c(c1F)OC)F 34a_100137314619_100015514636 [0,2,0,0,0,0|1,0,0]=3 4549 B14R1.1362 C=CCOc1ccc(c(c1F)OC)F 34a_100000062073_100015514636 [0,2,0,0,0,0|1,0,0]=3 4550 B14R1.1362 C=CCOc1ccc(c(c1F)OC)F 7a_100000062073_100015514636 [0,2,0,0,0,0|1,0,0]=3 4551 B14R1.1362 C=CCSc1ccc(c(c1F)OC)Cl 62a_100000210623_200135222481 [0,2,0,0,0,0|1,0,0]=3 4552 B14R1.1362 C=CCSc1ccc(c(c1F)OC)Cl 62a_200135222481_100000210623 [0,2,0,0,0,0|1,0,0]=3 4553 B14R1.1362 C=CCSc1ccc(c(c1F)OC)N 62a_100000210623_100010734149 [0,2,0,0,0,0|1,0,0]=3 4554 B14R1.1362 C=CCSc1ccc(c(c1F)OC)N 62a_100010734149_100000210623 [0,2,0,0,0,0|1,0,0]=3 4555 B14R1.1362 C=CCSc1ccc(c(c1F)SC)F 62a_100000210623_202125771753 [0,2,0,0,0,0|1,1,0]=4 4556 B14R1.1362 C=CCSc1ccc(c(c1F)SC)F 62a_202125771753_100000210623 [0,2,0,0,0,0|1,1,0]=4 4557 B14R1.1362 COc1c(ccc(c1F)NCC=O)F 34a_100137314619_200009817547 [0,2,0,0,0,0|2,0,0]=4 4558 B14R1.1362 COc1c(ccc(c1F)OCC=O)F 34a_100000062073_200009817547 [0,2,0,0,0,0|2,0,0]=4 4559 B14R1.1362 COc1c(ccc(c1F)OCC=O)F 7a_100000062073_200015260668 [0,2,0,0,0,0|2,0,0]=4 4560 B14R1.1362 COc1c(ccc(c1F)SCC=O)Cl 62a_200015260668_200135222481 [0,2,0,0,0,0|2,0,0]=4 4561 B14R1.1362 COc1c(ccc(c1F)SCC=O)Cl 62a_200135222481_200015260668 [0,2,0,0,0,0|2,0,0]=4 4562 B14R1.1362 COc1c(ccc(c1F)SCC=O)N 62a_100010734149_200015260668 [0,2,0,0,0,0|2,0,0]=4 4563 B14R1.1362 COc1c(ccc(c1F)SCC=O)N 62a_200015260668_100010734149 [0,2,0,0,0,0|2,0,0]=4 4564 B14R1.4435 C#CCSc1cc(c(cc1F)O)OC 62a_100000038162_100010189133 [0,2,0,0,0,0|0,0,2]=4 4565 B14R1.4435 C=CCNc1cc(c(cc1Br)Br)OC 34a_100000718616_100015514636 [0,2,0,0,0,0|1,0,0]=3 4566 B14R1.4435 C=CCNc1cc(c(cc1Br)Br)OC 7a_100000718616_100015514636 [0,2,0,0,0,0|1,0,0]=3 4567 B14R1.4435 C=CCNc1cc(c(cc1Br)C)OC 34a_100010244135_100015514636 [0,2,0,0,0,0|1,0,0]=3 4568 B14R1.4435 C=CCNc1cc(c(cc1Br)C)OC 7a_100010244135_100015514636 [0,2,0,0,0,0|1,0,0]=3 4569 B14R1.4435 C=CCNc1cc(c(cc1Br)Cl)OC 34a_100013022580_100015514636 [0,2,0,0,0,0|1,0,0]=3 4570 B14R1.4435 C=CCNc1cc(c(cc1Br)Cl)OC 7a_100013022580_100015514636 [0,2,0,0,0,0|1,0,0]=3 4571 B14R1.4435 C=CCNc1cc(c(cc1Br)F)OC 34a_100010208193_100015514636 [0,2,0,0,0,0|1,0,0]=3 4572 B14R1.4435 C=CCNc1cc(c(cc1Br)F)OC 7a_100010208193_100015514636 [0,2,0,0,0,0|1,0,0]=3 4573 B14R1.4435 C=CCNc1cc(c(cc1C)Br)OC 34a_100010232211_100015514636 [0,2,0,0,0,0|1,0,0]=3 4574 B14R1.4435 C=CCNc1cc(c(cc1C)Br)OC 7a_100010232211_100015514636 [0,2,0,0,0,0|1,0,0]=3 4575 B14R1.4435 C=CCNc1cc(c(cc1C)Cl)OC 2230a_100009858536_100000210623 [0,2,0,0,0,0|1,0,0]=3 4576 B14R1.4435 C=CCNc1cc(c(cc1C)Cl)OC 34a_100009858536_100015514636 [0,2,0,0,0,0|1,0,0]=3 4577 B14R1.4435 C=CCNc1cc(c(cc1C)Cl)OC 7a_100009858536_100015514636 [0,2,0,0,0,0|1,0,0]=3 4578 B14R1.4435 C=CCNc1cc(c(cc1Cl)Br)OC 34a_100012361290_100015514636 [0,2,0,0,0,0|1,0,0]=3 4579 B14R1.4435 C=CCNc1cc(c(cc1Cl)Br)OC 7a_100012361290_100015514636 [0,2,0,0,0,0|1,0,0]=3 4580 B14R1.4435 C=CCNc1cc(c(cc1Cl)Cl)OC 34a_100011830341_100015514636 [0,2,0,0,0,0|1,0,0]=3 4581 B14R1.4435 C=CCNc1cc(c(cc1Cl)F)OC 34a_100009958774_100015514636 [0,2,0,0,0,0|1,0,0]=3 4582 B14R1.4435 C=CCNc1cc(c(cc1Cl)F)OC 7a_100009958774_100015514636 [0,2,0,0,0,0|1,0,0]=3 4583 B14R1.4435 C=CCNc1cc(c(cc1F)Cl)OC 34a_100009872666_100015514636 [0,2,0,0,0,0|1,0,0]=3 4584 B14R1.4435 C=CCNc1cc(c(cc1F)Cl)OC 7a_100009872666_100015514636 [0,2,0,0,0,0|1,0,0]=3 4585 B14R1.4435 C=CCOc1cc(c(cc1F)Br)CC 34a_100011156610_100015514636 [0,2,0,0,0,0|2,0,0]=4 4586 B14R1.4435 C=CCOc1cc(c(cc1F)Br)CC 7a_100011156610_100015514636 [0,2,0,0,0,0|2,0,0]=4 4587 B14R1.4435 C=CCSc1cc(c(cc1Br)Br)OC 62a_100000210623_200014006352 [0,2,0,0,0,0|1,0,0]=3 4588 B14R1.4435 C=CCSc1cc(c(cc1Br)Br)OC 62a_200014006352_100000210623 [0,2,0,0,0,0|1,0,0]=3 4589 B14R1.4435 C=CCSc1cc(c(cc1C)F)OC 62a_100000210623_100011009880 [0,2,0,0,0,0|1,0,0]=3 4590 B14R1.4435 C=CCSc1cc(c(cc1C)F)OC 62a_100011009880_100000210623 [0,2,0,0,0,0|1,0,0]=3 4591 B14R1.4435 C=CCSc1cc(c(cc1C)N)OC 62a_100000210623_100010141321 [0,2,0,0,0,0|1,0,0]=3 4592 B14R1.4435 C=CCSc1cc(c(cc1C)N)OC 62a_100010141321_100000210623 [0,2,0,0,0,0|1,0,0]=3 4593 B14R1.4435 C=CCSc1cc(c(cc1F)Cl)OC 62a_100000210623_100010739614 [0,2,0,0,0,0|1,0,0]=3 4594 B14R1.4435 C=CCSc1cc(c(cc1F)Cl)OC 62a_100010739614_100000210623 [0,2,0,0,0,0|1,0,0]=3 4595 B14R1.4435 C=CCSc1cc(c(cc1F)F)OC 62a_100000210623_200015541288 [0,2,0,0,0,0|1,0,0]=3 4596 B14R1.4435 C=CCSc1cc(c(cc1F)F)OC 62a_200015541288_100000210623 [0,2,0,0,0,0|1,0,0]=3 4597 B14R1.4435 C=CCSc1cc(c(cc1F)N)NC 62a_100000210623_100013631271 [0,2,0,0,0,0|2,0,0]=4 4598 B14R1.4435 C=CCSc1cc(c(cc1F)N)NC 62a_100013631271_100000210623 [0,2,0,0,0,0|2,0,0]=4 4599 B14R1.4435 C=CCSc1cc(c(cc1F)N)OC 62a_100000210623_100012766639 [0,2,0,0,0,0|1,0,0]=3 4600 B14R1.4435 C=CCSc1cc(c(cc1F)N)OC 62a_100012766639_100000210623 [0,2,0,0,0,0|1,0,0]=3 4601 B14R1.4435 C=CCSc1cc(c(cc1F)O)C=O 62a_100000210623_100010175118 [0,2,0,0,0,0|2,0,0]=4 4602 B14R1.4435 C=CCSc1cc(c(cc1F)O)C=O 62a_100010175118_100000210623 [0,2,0,0,0,0|2,0,0]=4 4603 B14R1.4435 C=CCSc1cc(c(cc1F)O)OC 62a_100000210623_100010189133 [0,2,0,0,0,0|0,0,0]=2 4604 B14R1.4435 C=CCSc1cc(c(cc1N)C)OC 62a_100000210623_200010584344 [0,2,0,0,0,0|1,0,0]=3 4605 B14R1.4435 C=CCSc1cc(c(cc1N)C)OC 62a_200010584344_100000210623 [0,2,0,0,0,0|1,0,0]=3 4606 B14R1.4435 C=CCSc1cc(c(cc1N)F)OC 62a_100000210623_100010365326 [0,2,0,0,0,0|1,0,0]=3 4607 B14R1.4435 C=CCSc1cc(c(cc1N)F)OC 62a_100010365326_100000210623 [0,2,0,0,0,0|1,0,0]=3 4608 B14R1.4435 C=CCSc1cc(c(cc1O)O)C=O 62a_100000210623_200010132312 [0,2,0,0,0,0|2,0,0]=4 4609 B14R1.4435 C=CCSc1cc(c(nc1C)N)OC 62a_100000210623_200010892190 [0,2,0,0,0,0|2,0,0]=4 4610 B14R1.4435 C=CCSc1cc(c(nc1C)N)OC 62a_200010892190_100000210623 [0,2,0,0,0,0|2,0,0]=4 4611 B14R1.4435 CCCCc1cc(c(cc1F)O)OC 271570a_100020621405_100010189133 [0,2,0,0,0,0|0,0,2]=4 4612 B14R1.4435 CCCSc1cc(c(cc1F)O)OC 62a_100000210303_100010189133 [0,2,0,0,0,0|0,0,2]=4 4613 B14R1.4435 COCSc1cc(c(cc1F)O)OC 62a_100000766300_100010189133 [0,2,0,0,0,0|1,0,1]=4 4614 B14R1.4435 COc1cc(c(cc1Br)Br)NCC=O 34a_100000718616_200009817547 [0,2,0,0,0,0|2,0,0]=4 4615 B14R1.4435 COc1cc(c(cc1Br)Br)NCC=O 7a_100000718616_200015260668 [0,2,0,0,0,0|2,0,0]=4 4616 B14R1.4435 COc1cc(c(cc1Br)Br)SCC=O 62a_200014006352_200015260668 [0,2,0,0,0,0|2,0,0]=4 4617 B14R1.4435 COc1cc(c(cc1Br)Br)SCC=O 62a_200015260668_200014006352 [0,2,0,0,0,0|2,0,0]=4 4618 B14R1.4435 COc1cc(c(cc1Br)C)NCC=O 34a_100010232211_200009817547 [0,2,0,0,0,0|2,0,0]=4 4619 B14R1.4435 COc1cc(c(cc1Br)C)NCC=O 7a_100010232211_200015260668 [0,2,0,0,0,0|2,0,0]=4 4620 B14R1.4435 COc1cc(c(cc1Br)Cl)NCC=O 34a_100012361290_200009817547 [0,2,0,0,0,0|2,0,0]=4 4621 B14R1.4435 COc1cc(c(cc1Br)Cl)NCC=O 7a_100012361290_200015260668 [0,2,0,0,0,0|2,0,0]=4 4622 B14R1.4435 COc1cc(c(cc1C)Br)NCC=O 34a_100010244135_200009817547 [0,2,0,0,0,0|2,0,0]=4 4623 B14R1.4435 COc1cc(c(cc1C)Br)NCC=O 7a_100010244135_200015260668 [0,2,0,0,0,0|2,0,0]=4 4624 B14R1.4435 COc1cc(c(cc1C)N)SCC=O 62a_200010584344_200015260668 [0,2,0,0,0,0|2,0,0]=4 4625 B14R1.4435 COc1cc(c(cc1C)N)SCC=O 62a_200015260668_200010584344 [0,2,0,0,0,0|2,0,0]=4 4626 B14R1.4435 COc1cc(c(cc1Cl)Br)NCC=O 34a_100013022580_200009817547 [0,2,0,0,0,0|2,0,0]=4 4627 B14R1.4435 COc1cc(c(cc1Cl)Br)NCC=O 7a_100013022580_200015260668 [0,2,0,0,0,0|2,0,0]=4 4628 B14R1.4435 COc1cc(c(cc1Cl)C)NCC=O 2230a_100009858536_200015260668 [0,2,0,0,0,0|2,0,0]=4 4629 B14R1.4435 COc1cc(c(cc1Cl)C)NCC=O 34a_100009858536_200009817547 [0,2,0,0,0,0|2,0,0]=4 4630 B14R1.4435 COc1cc(c(cc1Cl)C)NCC=O 7a_100009858536_200015260668 [0,2,0,0,0,0|2,0,0]=4 4631 B14R1.4435 COc1cc(c(cc1Cl)Cl)NCC=O 34a_100011830341_200009817547 [0,2,0,0,0,0|2,0,0]=4 4632 B14R1.4435 COc1cc(c(cc1Cl)F)NCC=O 34a_100009872666_200009817547 [0,2,0,0,0,0|2,0,0]=4 4633 B14R1.4435 COc1cc(c(cc1Cl)F)NCC=O 7a_100009872666_200015260668 [0,2,0,0,0,0|2,0,0]=4 4634 B14R1.4435 COc1cc(c(cc1Cl)F)SCC=O 62a_100010739614_200015260668 [0,2,0,0,0,0|2,0,0]=4 4635 B14R1.4435 COc1cc(c(cc1Cl)F)SCC=O 62a_200015260668_100010739614 [0,2,0,0,0,0|2,0,0]=4 4636 B14R1.4435 COc1cc(c(cc1F)Br)NCC=O 34a_100010208193_200009817547 [0,2,0,0,0,0|2,0,0]=4 4637 B14R1.4435 COc1cc(c(cc1F)Br)NCC=O 7a_100010208193_200015260668 [0,2,0,0,0,0|2,0,0]=4 4638 B14R1.4435 COc1cc(c(cc1F)C)SCC=O 62a_100011009880_200015260668 [0,2,0,0,0,0|2,0,0]=4 4639 B14R1.4435 COc1cc(c(cc1F)C)SCC=O 62a_200015260668_100011009880 [0,2,0,0,0,0|2,0,0]=4 4640 B14R1.4435 COc1cc(c(cc1F)Cl)NCC=O 34a_100009958774_200009817547 [0,2,0,0,0,0|2,0,0]=4 4641 B14R1.4435 COc1cc(c(cc1F)Cl)NCC=O 7a_100009958774_200015260668 [0,2,0,0,0,0|2,0,0]=4 4642 B14R1.4435 COc1cc(c(cc1F)F)SCC=O 62a_200015260668_200015541288 [0,2,0,0,0,0|2,0,0]=4 4643 B14R1.4435 COc1cc(c(cc1F)F)SCC=O 62a_200015541288_200015260668 [0,2,0,0,0,0|2,0,0]=4 4644 B14R1.4435 COc1cc(c(cc1F)N)SCC=O 62a_100010365326_200015260668 [0,2,0,0,0,0|2,0,0]=4 4645 B14R1.4435 COc1cc(c(cc1F)N)SCC=O 62a_200015260668_100010365326 [0,2,0,0,0,0|2,0,0]=4 4646 B14R1.4435 COc1cc(c(cc1N)C)SCC=O 62a_100010141321_200015260668 [0,2,0,0,0,0|2,0,0]=4 4647 B14R1.4435 COc1cc(c(cc1N)C)SCC=O 62a_200015260668_100010141321 [0,2,0,0,0,0|2,0,0]=4 4648 B14R1.4435 COc1cc(c(cc1N)F)SCC=O 62a_100012766639_200015260668 [0,2,0,0,0,0|2,0,0]=4 4649 B14R1.4435 COc1cc(c(cc1N)F)SCC=O 62a_200015260668_100012766639 [0,2,0,0,0,0|2,0,0]=4 4650 B14R1.4435 COc1cc(c(cc1O)F)SCC#N 62a_100011215382_100010189133 [0,2,0,0,0,0|1,0,1]=4 4651 B14R1.4435 COc1cc(c(cc1O)F)SCC=O 62a_200015260668_100010189133 [0,2,0,0,0,0|1,0,0]=3 4652 B14R1.4435 COc1cc(c(cc1O)F)SCCF 62a_100011217306_100010189133 [0,2,0,0,0,0|1,0,1]=4 4653 B14R1.4435 COc1cc(c(cc1O)F)SCCO 62a_100000211926_100010189133 [0,2,0,0,0,0|1,0,1]=4 4654 B14R1.4435 COc1cc(c(cc1O)F)SCSC 62a_100011218213_100010189133 [0,2,0,0,0,0|1,0,1]=4 4655 B14R1.7499 C#CCSc1cc(c(c(c1)OC)O)O 62a_100000038162_200159242197 [0,2,0,0,0,0|0,0,2]=4 4656 B14R1.7499 C=CCNc1cc(c(c(c1)OC)Cl)Br 2230a_100010131419_100000210623 [0,2,0,0,0,0|1,0,0]=3 4657 B14R1.7499 C=CCNc1cc(c(c(c1)OC)Cl)Br 34a_100010131419_100015514636 [0,2,0,0,0,0|1,0,0]=3 4658 B14R1.7499 C=CCNc1cc(c(c(c1)OC)Cl)Br 7a_100010131419_100015514636 [0,2,0,0,0,0|1,0,0]=3 4659 B14R1.7499 C=CCSc1cc(c(c(c1)C#N)O)C 62a_100000210623_100010195408 [0,2,0,0,0,0|2,0,0]=4 4660 B14R1.7499 C=CCSc1cc(c(c(c1)C=O)O)C 62a_100000210623_100000696164 [0,2,0,0,0,0|2,0,0]=4 4661 B14R1.7499 C=CCSc1cc(c(c(c1)C=O)O)F 62a_100000210623_100011217654 [0,2,0,0,0,0|2,0,0]=4 4662 B14R1.7499 C=CCSc1cc(c(c(c1)C=O)O)F 62a_100011217654_100000210623 [0,2,0,0,0,0|2,0,0]=4 4663 B14R1.7499 C=CCSc1cc(c(c(c1)C=O)O)O 62a_100000210623_100010235811 [0,2,0,0,0,0|2,0,0]=4 4664 B14R1.7499 C=CCSc1cc(c(c(c1)CC)N)C 62a_100000210623_200000186424 [0,2,0,0,0,0|2,0,0]=4 4665 B14R1.7499 C=CCSc1cc(c(c(c1)CC)N)C 62a_200000186424_100000210623 [0,2,0,0,0,0|2,0,0]=4 4666 B14R1.7499 C=CCSc1cc(c(c(c1)CC)O)C 62a_100000210623_100010659108 [0,2,0,0,0,0|1,0,0]=3 4667 B14R1.7499 C=CCSc1cc(c(c(c1)OC)F)C 62a_100000210623_100010271686 [0,2,0,0,0,0|1,0,0]=3 4668 B14R1.7499 C=CCSc1cc(c(c(c1)OC)F)C 62a_100010271686_100000210623 [0,2,0,0,0,0|1,0,0]=3 4669 B14R1.7499 C=CCSc1cc(c(c(c1)OC)F)F 62a_100000210623_100011218012 [0,2,0,0,0,0|1,0,0]=3 4670 B14R1.7499 C=CCSc1cc(c(c(c1)OC)F)F 62a_100011218012_100000210623 [0,2,0,0,0,0|1,0,0]=3 4671 B14R1.7499 C=CCSc1cc(c(c(c1)OC)F)O 62a_100000210623_200015524394 [0,2,0,0,0,0|1,0,0]=3 4672 B14R1.7499 C=CCSc1cc(c(c(c1)OC)F)O 62a_200015524394_100000210623 [0,2,0,0,0,0|1,0,0]=3 4673 B14R1.7499 C=CCSc1cc(c(c(c1)OC)N)C 62a_100000210623_100000741850 [0,2,0,0,0,0|1,0,0]=3 4674 B14R1.7499 C=CCSc1cc(c(c(c1)OC)N)C 62a_100000741850_100000210623 [0,2,0,0,0,0|1,0,0]=3 4675 B14R1.7499 C=CCSc1cc(c(c(c1)OC)O)O 62a_100000210623_200159242197 [0,2,0,0,0,0|0,0,0]=2 4676 B14R1.7499 CCCSc1cc(c(c(c1)OC)O)O 62a_100000210303_200159242197 [0,2,0,0,0,0|0,0,2]=4 4677 B14R1.7499 CCc1cc(cc(c1O)C)SCC=O 62a_200015260668_100010659108 [0,2,0,0,0,0|2,0,0]=4 4678 B14R1.7499 COCSc1cc(c(c(c1)OC)O)O 62a_100000766300_200159242197 [0,2,0,0,0,0|1,0,1]=4 4679 B14R1.7499 COc1cc(cc(c1Cl)Br)NCC=O 2230a_100010131419_200015260668 [0,2,0,0,0,0|2,0,0]=4 4680 B14R1.7499 COc1cc(cc(c1Cl)Br)NCC=O 34a_100010131419_200009817547 [0,2,0,0,0,0|2,0,0]=4 4681 B14R1.7499 COc1cc(cc(c1Cl)Br)NCC=O 7a_100010131419_200015260668 [0,2,0,0,0,0|2,0,0]=4 4682 B14R1.7499 COc1cc(cc(c1F)C)SCC=O 62a_100010271686_200015260668 [0,2,0,0,0,0|2,0,0]=4 4683 B14R1.7499 COc1cc(cc(c1F)C)SCC=O 62a_200015260668_100010271686 [0,2,0,0,0,0|2,0,0]=4 4684 B14R1.7499 COc1cc(cc(c1F)F)SCC=O 62a_100011218012_200015260668 [0,2,0,0,0,0|2,0,0]=4 4685 B14R1.7499 COc1cc(cc(c1F)F)SCC=O 62a_200015260668_100011218012 [0,2,0,0,0,0|2,0,0]=4 4686 B14R1.7499 COc1cc(cc(c1F)O)SCC=O 62a_200015260668_200015524394 [0,2,0,0,0,0|2,0,0]=4 4687 B14R1.7499 COc1cc(cc(c1F)O)SCC=O 62a_200015524394_200015260668 [0,2,0,0,0,0|2,0,0]=4 4688 B14R1.7499 COc1cc(cc(c1N)C)SCC=O 62a_100000741850_200015260668 [0,2,0,0,0,0|2,0,0]=4 4689 B14R1.7499 COc1cc(cc(c1N)C)SCC=O 62a_200015260668_100000741850 [0,2,0,0,0,0|2,0,0]=4 4690 B14R1.7499 COc1cc(cc(c1O)O)SCC#N 62a_100011215382_200159242197 [0,2,0,0,0,0|1,0,1]=4 4691 B14R1.7499 COc1cc(cc(c1O)O)SCC=O 62a_200015260668_200159242197 [0,2,0,0,0,0|1,0,0]=3 4692 B14R1.7499 COc1cc(cc(c1O)O)SCCF 62a_100011217306_200159242197 [0,2,0,0,0,0|1,0,1]=4 4693 B14R1.7499 COc1cc(cc(c1O)O)SCCO 62a_100000211926_200159242197 [0,2,0,0,0,0|1,0,1]=4 4694 B14R1.7499 COc1cc(cc(c1O)O)SCSC 62a_100011218213_200159242197 [0,2,0,0,0,0|1,0,1]=4 4695 B14R1.15069 C=C=Cc1cc(c(cc1C=O)O)OC 271570a_100015277604_100000183646 [0,2,0,0,0,0|0,0,2]=4 4696 B14R1.15069 C=C=Cc1cc(c(cc1OC)O)OC 271570a_100015277604_100009816818 [0,2,0,0,0,0|0,0,2]=4 4697 B14R1.15069 CC=Cc1cc(c(cc1C=O)O)OC 271570a_100016259895_100000183646 [0,2,0,0,0,0|0,0,2]=4 4698 B14R1.15069 CC=Cc1cc(c(cc1OC)O)OC 271570a_100016259895_100009816818 [0,2,0,0,0,0|0,0,2]=4 4699 B14R1.3236 C=C=Cc1cc(c(c(c1)OC)O)CO 271570a_100015277604_100000185604 [0,2,0,0,0,0|0,0,2]=4 4700 B14R1.3236 C=C=Cc1cc(c(c(c1)OC)O)OC 271570a_100015277604_100000691893 [0,2,0,0,0,0|0,0,2]=4 4701 B14R1.3236 CC=Cc1cc(c(c(c1)OC)O)CO 271570a_100016259895_100000185604 [0,2,0,0,0,0|0,0,2]=4 4702 B14R1.3236 CC=Cc1cc(c(c(c1)OC)O)OC 271570a_100016259895_100000691893 [0,2,0,0,0,0|0,0,2]=4 4703 B12R1.169 C=CCc1ccccc1C=CC 271570a_100016259895_100009828059 [0,0,1,1,0,0|2,0,0]=4 4704 B12R2.43 COc1cccc(c1)C2CC2 271570a_100011220607_100000170001 [1,0,0,1,0,0|0,0,2]=4 4705 B12R2.43 COc1cccc(c1)C2CC2 34a_100011787725_200000210301 [1,0,0,1,0,0|0,0,2]=4 4706 B12R2.43 COc1cccc(c1)C2CC2 7a_100011787725_200000210301 [1,0,0,1,0,0|0,0,2]=4 4707 B12R2.43 [13CH3]Oc1cccc(c1)C2CC2 34a_100011787725_200025704644 [1,0,0,1,0,0|0,0,2]=4 4708 B12R2.43 [13CH3]Oc1cccc(c1)C2CC2 7a_100011787725_200025704644 [1,0,0,1,0,0|0,0,2]=4 4709 B12R2.44 C=Cc1ccc2c(c1)CC=C2 271570a_100011290941_200009818231 [1,0,0,1,0,0|1,0,1]=4 4710 B12R2.44 CNc1ccc2ccoc2c1 34a_100000102395_200000210301 [1,0,0,1,0,0|2,0,0]=4 4711 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [1,0,0,1,0,0|1,0,1]=4 4712 B12R2.44 COc1ccc2c(c1)CCC2 34a_100000209987_200000210301 [1,0,0,1,0,0|0,0,2]=4 4713 B12R2.44 COc1ccc2c(c1)CCC2 7a_100000209987_200000210301 [1,0,0,1,0,0|0,0,2]=4 4714 B12R2.44 COc1ccc2c(c1)CCN2 34a_100020636429_200000210301 [1,0,0,1,0,0|1,0,1]=4 4715 B12R2.44 COc1ccc2c(c1)CNC2 34a_100015195982_200000210301 [1,0,0,1,0,0|1,0,1]=4 4716 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [1,0,0,1,0,0|1,0,0]=3 4717 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [1,0,0,1,0,0|1,0,0]=3 4718 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [1,0,0,1,0,0|1,0,0]=3 4719 B12R2.44 COc1ccc2cnoc2c1 34a_100000098417_200000210301 [1,0,0,1,0,0|2,0,0]=4 4720 B12R2.44 COc1ccc2cnoc2c1 7a_100000098417_200000210301 [1,0,0,1,0,0|2,0,0]=4 4721 B12R2.44 COc1ccc2ncsc2c1 34a_100011995850_200000210301 [1,0,0,1,0,0|2,0,0]=4 4722 B12R2.44 COc1ccc2ncsc2c1 7a_100011995850_200000210301 [1,0,0,1,0,0|2,0,0]=4 4723 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [1,0,0,1,0,0|1,0,1]=4 4724 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [1,0,0,1,0,0|1,0,1]=4 4725 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [1,0,0,1,0,0|1,0,1]=4 4726 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [1,0,0,1,0,0|1,0,1]=4 4727 B12R2.44 COc1ccc2scnc2c1 34a_200009850626_200000210301 [1,0,0,1,0,0|2,0,0]=4 4728 B12R2.44 COc1ccc2scnc2c1 7a_200009850626_200000210301 [1,0,0,1,0,0|2,0,0]=4 4729 B12R2.44 COc1ccn2ccnc2c1 34a_100009863278_200000210301 [1,0,0,1,0,0|2,0,0]=4 4730 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200000210301_200009818231 [1,0,0,1,0,0|0,1,0]=3 4731 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200009818231_200000210301 [1,0,0,1,0,0|0,1,0]=3 4732 B12R2.44 CSc1ccc2cc[nH]c2c1 62a_200000210301_100000743809 [1,0,0,1,0,0|1,1,0]=4 4733 B12R2.44 CSc1ccc2ccoc2c1 62a_200000210301_100000759542 [1,0,0,1,0,0|1,1,0]=4 4734 B12R2.44 CSc1ccc2ccsc2c1 62a_200000210301_100009888917 [1,0,0,1,0,0|1,1,0]=4 4735 B12R2.44 [13CH3]Nc1ccc2ccoc2c1 34a_100000102395_200025704644 [1,0,0,1,0,0|2,0,0]=4 4736 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [1,0,0,1,0,0|1,0,1]=4 4737 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 34a_100000209987_200025704644 [1,0,0,1,0,0|0,0,2]=4 4738 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 7a_100000209987_200025704644 [1,0,0,1,0,0|0,0,2]=4 4739 B12R2.44 [13CH3]Oc1ccc2c(c1)CCN2 34a_100020636429_200025704644 [1,0,0,1,0,0|1,0,1]=4 4740 B12R2.44 [13CH3]Oc1ccc2c(c1)CNC2 34a_100015195982_200025704644 [1,0,0,1,0,0|1,0,1]=4 4741 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [1,0,0,1,0,0|1,0,0]=3 4742 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [1,0,0,1,0,0|1,0,0]=3 4743 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [1,0,0,1,0,0|1,0,0]=3 4744 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 34a_100000098417_200025704644 [1,0,0,1,0,0|2,0,0]=4 4745 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 7a_100000098417_200025704644 [1,0,0,1,0,0|2,0,0]=4 4746 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 34a_100011995850_200025704644 [1,0,0,1,0,0|2,0,0]=4 4747 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 7a_100011995850_200025704644 [1,0,0,1,0,0|2,0,0]=4 4748 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [1,0,0,1,0,0|1,0,1]=4 4749 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [1,0,0,1,0,0|1,0,1]=4 4750 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [1,0,0,1,0,0|1,0,1]=4 4751 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [1,0,0,1,0,0|1,0,1]=4 4752 B12R2.44 [13CH3]Oc1ccc2scnc2c1 34a_200009850626_200025704644 [1,0,0,1,0,0|2,0,0]=4 4753 B12R2.44 [13CH3]Oc1ccc2scnc2c1 7a_200009850626_200025704644 [1,0,0,1,0,0|2,0,0]=4 4754 B12R2.44 [13CH3]Oc1ccn2ccnc2c1 34a_100009863278_200025704644 [1,0,0,1,0,0|2,0,0]=4 4755 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200009818231_200025704644 [1,0,0,1,0,0|0,1,0]=3 4756 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200025704644_200009818231 [1,0,0,1,0,0|0,1,0]=3 4757 B12R2.44 [13CH3]Sc1ccc2cc[nH]c2c1 62a_200025704644_100000743809 [1,0,0,1,0,0|1,1,0]=4 4758 B12R2.44 [13CH3]Sc1ccc2ccoc2c1 62a_200025704644_100000759542 [1,0,0,1,0,0|1,1,0]=4 4759 B12R2.44 [13CH3]Sc1ccc2ccsc2c1 62a_200025704644_100009888917 [1,0,0,1,0,0|1,1,0]=4 4760 B12R2.315 CNc1cccc2c1ccs2 34a_100020628958_200000210301 [1,0,0,1,0,0|2,0,0]=4 4761 B12R2.315 COc1cccc2c1CCC2 34a_100000074356_200000210301 [1,0,0,1,0,0|0,0,2]=4 4762 B12R2.315 COc1cccc2c1CCC2 7a_100000074356_200000210301 [1,0,0,1,0,0|0,0,2]=4 4763 B12R2.315 COc1cccc2c1CNC2 34a_100015191671_200000210301 [1,0,0,1,0,0|1,0,1]=4 4764 B12R2.315 COc1cccc2c1cc[nH]2 34a_100000763377_200000210301 [1,0,0,1,0,0|1,0,0]=3 4765 B12R2.315 COc1cccc2c1ccs2 34a_100000077759_200000210301 [1,0,0,1,0,0|1,0,0]=3 4766 B12R2.315 COc1cccc2c1ccs2 7a_100000077759_200000210301 [1,0,0,1,0,0|1,0,0]=3 4767 B12R2.315 COc1cccc2c1ncs2 34a_100000101385_200000210301 [1,0,0,1,0,0|2,0,0]=4 4768 B12R2.315 COc1cccc2c1ncs2 7a_100000101385_200000210301 [1,0,0,1,0,0|2,0,0]=4 4769 B12R2.315 CSc1cccc2c1cc[nH]2 62a_200000210301_100000685724 [1,0,0,1,0,0|1,1,0]=4 4770 B12R2.315 CSc1cccc2c1cco2 62a_200000210301_100000756496 [1,0,0,1,0,0|1,1,0]=4 4771 B12R2.315 CSc1cccc2c1ccs2 62a_200000210301_100009816950 [1,0,0,1,0,0|1,1,0]=4 4772 B12R2.315 [13CH3]Nc1cccc2c1ccs2 34a_100020628958_200025704644 [1,0,0,1,0,0|2,0,0]=4 4773 B12R2.315 [13CH3]Oc1cccc2c1CCC2 34a_100000074356_200025704644 [1,0,0,1,0,0|0,0,2]=4 4774 B12R2.315 [13CH3]Oc1cccc2c1CCC2 7a_100000074356_200025704644 [1,0,0,1,0,0|0,0,2]=4 4775 B12R2.315 [13CH3]Oc1cccc2c1CNC2 34a_100015191671_200025704644 [1,0,0,1,0,0|1,0,1]=4 4776 B12R2.315 [13CH3]Oc1cccc2c1cc[nH]2 34a_100000763377_200025704644 [1,0,0,1,0,0|1,0,0]=3 4777 B12R2.315 [13CH3]Oc1cccc2c1ccs2 34a_100000077759_200025704644 [1,0,0,1,0,0|1,0,0]=3 4778 B12R2.315 [13CH3]Oc1cccc2c1ccs2 7a_100000077759_200025704644 [1,0,0,1,0,0|1,0,0]=3 4779 B12R2.315 [13CH3]Oc1cccc2c1ncs2 34a_100000101385_200025704644 [1,0,0,1,0,0|2,0,0]=4 4780 B12R2.315 [13CH3]Oc1cccc2c1ncs2 7a_100000101385_200025704644 [1,0,0,1,0,0|2,0,0]=4 4781 B12R2.315 [13CH3]Sc1cccc2c1cc[nH]2 62a_200025704644_100000685724 [1,0,0,1,0,0|1,1,0]=4 4782 B12R2.315 [13CH3]Sc1cccc2c1cco2 62a_200025704644_100000756496 [1,0,0,1,0,0|1,1,0]=4 4783 B12R2.315 [13CH3]Sc1cccc2c1ccs2 62a_200025704644_100009816950 [1,0,0,1,0,0|1,1,0]=4 4784 B12R2.82 Cc1c(ccc2c1[nH]cc2)O 271570a_203496583355_100009816929 [1,0,0,1,0,0|1,0,1]=4 4785 B12R2.82 Cc1c(ccc2c1cc[nH]2)O 271570a_203496583355_100010731972 [1,0,0,1,0,0|1,0,0]=3 4786 B12R2.82 Cc1c(ccc2c1cn[nH]2)O 271570a_203496583355_100009817094 [1,0,0,1,0,0|2,0,0]=4 4787 B12R2.82 Cc1c(ccc2c1nc[nH]2)O 271570a_203496583355_100010009745 [1,0,0,1,0,0|2,0,0]=4 4788 B12R2.82 Cc1c(ccc2n1ccn2)O 271570a_203496583355_100012569086 [1,0,0,1,0,0|2,0,0]=4 4789 B12R2.82 Cc1c(cnc2c1cc[nH]2)O 271570a_203496583355_100010254266 [1,0,0,1,0,0|2,0,0]=4 4790 B12R2.82 Cc1ccc2[nH]ccc2c1O 271570a_203496583355_100010248896 [1,0,0,1,0,0|2,0,0]=4 4791 B12R2.82 Oc1c(ccc2c1cc[nH]2)F 271570a_203496583355_100102525403 [1,0,0,1,0,0|2,0,0]=4 4792 B12R2.82 Oc1ccc2[nH]ccc2c1F 271570a_203496583355_100000700836 [1,0,0,1,0,0|2,0,0]=4 4793 B12R2.82 Oc1ccc2c(c1O)CCC2 271570a_203496583355_100010662108 [1,0,0,1,0,0|0,0,2]=4 4794 B12R2.100 Cc1cc2[nH]ccc2cc1O 271570a_203496583355_100010199648 [1,0,0,1,0,0|1,0,0]=3 4795 B12R2.100 Cc1cc2[nH]ncc2cc1O 271570a_203496583355_100009816927 [1,0,0,1,0,0|2,0,0]=4 4796 B12R2.100 Cc1cc2cc[nH]c2cc1O 271570a_203496583355_100010199660 [1,0,0,1,0,0|1,0,1]=4 4797 B12R2.100 Cc1cc2ccsc2cc1O 271570a_203496583355_100010762285 [1,0,0,1,0,0|1,0,1]=4 4798 B12R2.100 Cc1cc2nc[nH]c2cc1O 271570a_203496583355_200010107306 [1,0,0,1,0,0|2,0,0]=4 4799 B12R2.100 Cc1cc2nccn2cc1O 271570a_203496583355_100020606757 [1,0,0,1,0,0|2,0,0]=4 4800 B12R2.100 Cc1nc2[nH]ccc2cc1O 271570a_203496583355_100010212563 [1,0,0,1,0,0|2,0,0]=4 4801 B12R2.100 Nc1cc2[nH]ccc2cc1O 271570a_203496583355_100010212544 [1,0,0,1,0,0|2,0,0]=4 4802 B12R2.100 Oc1cc2[nH]ccc2cc1Br 271570a_203496583355_100000703010 [1,0,0,1,0,0|2,0,0]=4 4803 B12R2.100 Oc1cc2[nH]ccc2cc1F 271570a_203496583355_100009817181 [1,0,0,1,0,0|2,0,0]=4 4804 B12R2.100 Oc1cc2c(cc1O)CCC2 271570a_203496583355_200010659162 [1,0,0,1,0,0|0,0,2]=4 4805 B12R2.100 Oc1cc2cc[nH]c2cc1F 271570a_203496583355_100000731065 [1,0,0,1,0,0|2,0,0]=4 4806 B12R2.100 Oc1cc2cn[nH]c2cc1O 271570a_203496583355_100010079831 [1,0,0,1,0,0|2,0,0]=4 4807 B12R2.100 Oc1cc2cn[nH]c2cc1O 271570a_203496583355_100010080172 [1,0,0,1,0,0|2,0,0]=4 4808 B12R2.291 Cc1cc(ccc1O)C2CC2 271570a_100011220607_100000186361 [1,0,0,1,0,0|0,0,2]=4 4809 B12R2.291 Oc1ccc(cc1O)C2CC2 271570a_100011220607_100009813601 [1,0,0,1,0,0|0,0,2]=4 4810 B12R2.291 Oc1ccc(cc1O)C2CC2 271570a_203496583355_100135415898 [1,0,0,1,0,0|0,0,2]=4 4811 B14R2.966 CC(O[13CH3])c1ccc2c(c1)OCO2 34a_100000741967_200025704644 [0,1,0,1,0,0|1,0,1]=4 4812 B14R2.966 CC(O[13CH3])c1ccc2c(c1)OCO2 7a_100000741967_200025704644 [0,1,0,1,0,0|1,0,1]=4 4813 B14R2.966 CNC(C)c1ccc2c(c1)OCO2 269862a_106832991636_100000211065 [0,1,0,1,0,0|1,0,1]=4 4814 B14R2.966 CN[C@H](C)c1ccc2c(c1)OCO2 2230a_100000744171_200000210301 [0,1,0,1,0,0|1,0,1]=4 4815 B14R2.966 COC(C)c1ccc2c(c1)OCO2 34a_100000741967_200000210301 [0,1,0,1,0,0|1,0,1]=4 4816 B14R2.966 COC(C)c1ccc2c(c1)OCO2 7a_100000741967_200000210301 [0,1,0,1,0,0|1,0,1]=4 4817 B14R2.966 C[C@@H](N[13CH3])c1ccc2c(c1)OCO2 2230a_100000744171_200025704644 [0,1,0,1,0,0|1,0,1]=4 4818 B14R2.1008 CC(=Cc1ccc2c(c1)OCO2)C 271570a_100102525489_100000688060 [0,1,0,1,0,0|0,0,2]=4 4819 B14R2.1008 CC(=O)Cc1ccc2c(c1)CCO2 1458a_100000242752_200000210301 [0,1,0,1,0,0|1,0,1]=4 4820 B14R2.1008 CC(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200000210301 [0,1,0,1,0,0|0,0,1]=3 4821 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 11a_100000209953_100015343762 [0,1,0,1,0,0|1,0,1]=4 4822 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 1626a_100000209953_100015343762 [0,1,0,1,0,0|1,0,1]=4 4823 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100000070787 [0,1,0,1,0,0|1,0,1]=4 4824 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 527a_100000209953_100103153847 [0,1,0,1,0,0|1,0,1]=4 4825 B14R2.1008 CN(C)Cc1ccc2c(c1)OCO2 2230a_100000186720_200000210301 [0,1,0,1,0,0|1,0,1]=4 4826 B14R2.1008 CN(C)Cc1ccc2c(c1)OCO2 269982a_100000186720_200000210301 [0,1,0,1,0,0|1,0,1]=4 4827 B14R2.1008 CN(C)Cc1ccc2c(c1)OCO2 269982a_100102631434_100000189651 [0,1,0,1,0,0|1,0,1]=4 4828 B14R2.1008 CN([13CH3])Cc1ccc2c(c1)OCO2 2230a_100000186720_200025704644 [0,1,0,1,0,0|1,0,1]=4 4829 B14R2.1008 CN([13CH3])Cc1ccc2c(c1)OCO2 269982a_100000186720_200025704644 [0,1,0,1,0,0|1,0,1]=4 4830 B14R2.1008 [13CH3]C(=O)Cc1ccc2c(c1)CCO2 1458a_100000242752_200025704644 [0,1,0,1,0,0|1,0,1]=4 4831 B14R2.1008 [13CH3]C(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200025704644 [0,1,0,1,0,0|0,0,1]=3 4832 B14R2.3168 COc1cc(ccc1O)NC2CC2 34a_100000726020_100000211595 [0,1,0,1,0,0|0,0,2]=4 4833 B14R2.112 C=C=Cc1ccc2c(c1)OCCO2 271570a_100015277604_100000184379 [0,1,0,1,0,0|0,0,2]=4 4834 B14R2.112 CC=Cc1ccc2c(c1)OCCO2 271570a_100016259895_100000184379 [0,1,0,1,0,0|0,0,2]=4 4835 B14R2.112 CNCc1ccc2c(c1)OCCO2 207a_100102657272_100000184955 [0,1,0,1,0,0|1,0,1]=4 4836 B14R2.112 CNCc1ccc2c(c1)OCCO2 2230a_100000684186_200000210301 [0,1,0,1,0,0|1,0,1]=4 4837 B14R2.112 CNCc1ccc2c(c1)OCCO2 270004a_106832991635_100000184955 [0,1,0,1,0,0|1,0,1]=4 4838 B14R2.112 CNCc1ccc2c(c1)OCCO2 34a_100000684186_200000210301 [0,1,0,1,0,0|1,0,1]=4 4839 B14R2.112 COCc1ccc2c(c1)OCCO2 34a_100000745213_200000210301 [0,1,0,1,0,0|1,0,1]=4 4840 B14R2.112 [13CH3]NCc1ccc2c(c1)OCCO2 2230a_100000684186_200025704644 [0,1,0,1,0,0|1,0,1]=4 4841 B14R2.112 [13CH3]NCc1ccc2c(c1)OCCO2 34a_100000684186_200025704644 [0,1,0,1,0,0|1,0,1]=4 4842 B14R2.112 [13CH3]OCc1ccc2c(c1)OCCO2 34a_100000745213_200025704644 [0,1,0,1,0,0|1,0,1]=4 4843 B14R2.583 C=C=Cc1cc2c(cc1N)OCO2 271570a_100015277604_100012557033 [0,1,0,1,0,0|0,0,2]=4 4844 B14R2.583 C=C=Cc1cc2c(cc1O)OCO2 271570a_100015277604_100010290809 [0,1,0,1,0,0|0,0,2]=4 4845 B14R2.583 CC=Cc1cc2c(cc1N)OCO2 271570a_100016259895_100012557033 [0,1,0,1,0,0|0,0,2]=4 4846 B14R2.583 CC=Cc1cc2c(cc1O)OCO2 271570a_100016259895_100010290809 [0,1,0,1,0,0|0,0,2]=4 4847 B14R2.583 CNCc1cc2c(cc1Br)OCO2 2230a_106832991635_100009995336 [0,1,0,1,0,0|1,0,1]=4 4848 B14R2.583 CNCc1cc2c(cc1Br)OCO2 2230a_200011199097_200000210301 [0,1,0,1,0,0|1,0,1]=4 4849 B14R2.583 CNCc1cc2c(cc1Br)OCO2 26a_100102657272_100010290809 [0,1,0,1,0,0|1,0,1]=4 4850 B14R2.583 CNCc1cc2c(cc1Br)OCO2 270004a_106832991635_100000186749 [0,1,0,1,0,0|1,0,1]=4 4851 B14R2.583 CNCc1cc2c(cc1Br)OCO2 34a_100102657272_100009995336 [0,1,0,1,0,0|1,0,1]=4 4852 B14R2.583 CNCc1cc2c(cc1Br)OCO2 7a_106832991635_100009995336 [0,1,0,1,0,0|1,0,1]=4 4853 B14R2.583 CNCc1cc2c(cc1C)OCO2 7a_106832991635_200000112958 [0,1,0,1,0,0|1,0,1]=4 4854 B14R2.583 CNCc1cc2c(cc1Cl)OCO2 207a_100102657272_100000015535 [0,1,0,1,0,0|1,0,1]=4 4855 B14R2.583 CNCc1cc2c(cc1Cl)OCO2 270004a_106832991635_100000015535 [0,1,0,1,0,0|1,0,1]=4 4856 B14R2.583 CNCc1cc2c(cc1Cl)OCO2 7a_106832991635_100000043460 [0,1,0,1,0,0|1,0,1]=4 4857 B14R2.583 COCc1cc2c(cc1Br)OCO2 34a_100000187691_200000210301 [0,1,0,1,0,0|1,0,1]=4 4858 B14R2.583 COCc1cc2c(cc1Br)OCO2 34a_100138415774_100009995336 [0,1,0,1,0,0|1,0,1]=4 4859 B14R2.583 COCc1cc2c(cc1Br)OCO2 7a_100000187691_200000210301 [0,1,0,1,0,0|1,0,1]=4 4860 B14R2.583 COCc1cc2c(cc1Cl)OCO2 34a_200000238738_200000210301 [0,1,0,1,0,0|1,0,1]=4 4861 B14R2.583 COCc1cc2c(cc1Cl)OCO2 7a_200000238738_200000210301 [0,1,0,1,0,0|1,0,1]=4 4862 B14R2.583 CSCc1cc2c(cc1Br)OCO2 62a_100009995336_200000210301 [0,1,0,1,0,0|1,0,1]=4 4863 B14R2.583 CSCc1cc2c(cc1Cl)OCO2 62a_100000043460_200000210301 [0,1,0,1,0,0|1,0,1]=4 4864 B14R2.583 [13CH3]NCc1cc2c(cc1Br)OCO2 2230a_200011199097_200025704644 [0,1,0,1,0,0|1,0,1]=4 4865 B14R2.583 [13CH3]OCc1cc2c(cc1Br)OCO2 34a_100000187691_200025704644 [0,1,0,1,0,0|1,0,1]=4 4866 B14R2.583 [13CH3]OCc1cc2c(cc1Br)OCO2 7a_100000187691_200025704644 [0,1,0,1,0,0|1,0,1]=4 4867 B14R2.583 [13CH3]OCc1cc2c(cc1Cl)OCO2 34a_200000238738_200025704644 [0,1,0,1,0,0|1,0,1]=4 4868 B14R2.583 [13CH3]OCc1cc2c(cc1Cl)OCO2 7a_200000238738_200025704644 [0,1,0,1,0,0|1,0,1]=4 4869 B14R2.583 [13CH3]SCc1cc2c(cc1Br)OCO2 62a_100009995336_200025704644 [0,1,0,1,0,0|1,0,1]=4 4870 B14R2.583 [13CH3]SCc1cc2c(cc1Cl)OCO2 62a_100000043460_200025704644 [0,1,0,1,0,0|1,0,1]=4 4871 B14R2.82 C=Cc1cc2cc[nH]c2cc1OC 271570a_100011290941_100010245498 [0,1,0,1,0,0|2,0,0]=4 4872 B14R2.82 COc1cc2[nH]ccc2cc1SC 62a_200000210301_100010245498 [0,1,0,1,0,0|1,1,0]=4 4873 B14R2.82 COc1cc2[nH]ccc2cc1S[13CH3] 62a_200025704644_100010245498 [0,1,0,1,0,0|1,1,0]=4 4874 B14R2.82 COc1cc2cc[nH]c2cc1SC 62a_200000210301_100010245486 [0,1,0,1,0,0|1,1,0]=4 4875 B14R2.82 COc1cc2cc[nH]c2cc1S[13CH3] 62a_200025704644_100010245486 [0,1,0,1,0,0|1,1,0]=4 4876 B14R2.1238 COc1ccc2[nH]ccc2c1SC 62a_200000210301_100010169049 [0,1,0,1,0,0|1,1,0]=4 4877 B14R2.1238 COc1ccc2[nH]ccc2c1S[13CH3] 62a_200025704644_100010169049 [0,1,0,1,0,0|1,1,0]=4 4878 B14R2.3062 COc1cc(ccc1CO)C2CC2 271570a_100011220607_100011277633 [0,1,0,1,0,0|0,0,2]=4 4879 B14R2.3062 COc1ccc(cc1OC)C2CC2 271570a_100011220607_100000187503 [0,1,0,1,0,0|0,0,2]=4 4880 B14R2.203 CNc1c(ccc2c1cccc2)O 34a_100000007056_200000210301 [0,1,0,1,0,0|1,0,1]=4 4881 B14R2.203 COc1c(ccc2c1cccc2)Br 34a_100009996032_200000210301 [0,1,0,1,0,0|1,0,1]=4 4882 B14R2.203 COc1c(ccc2c1cccc2)Br 7a_100009996032_200000210301 [0,1,0,1,0,0|1,0,1]=4 4883 B14R2.203 COc1c(ccc2c1cccc2)C 34a_100000039261_200000210301 [0,1,0,1,0,0|1,0,1]=4 4884 B14R2.203 COc1c(ccc2c1cccc2)C 7a_100000039261_200000210301 [0,1,0,1,0,0|1,0,1]=4 4885 B14R2.203 COc1c(ccc2c1cccc2)N 34a_100000007060_200000210301 [0,1,0,1,0,0|1,0,1]=4 4886 B14R2.203 COc1c(ccc2c1cccc2)O 271570a_203496583355_100010089960 [0,1,0,1,0,0|0,0,1]=3 4887 B14R2.203 COc1c(ccc2c1nccc2)Br 34a_100009816563_200000210301 [0,1,0,1,0,0|1,0,1]=4 4888 B14R2.203 COc1c(ccc2c1nccc2)Cl 34a_100000700379_200000210301 [0,1,0,1,0,0|1,0,1]=4 4889 B14R2.203 COc1c(ccc2c1nccc2)Cl 7a_100000700379_200000210301 [0,1,0,1,0,0|1,0,1]=4 4890 B14R2.203 COc1c(ccc2c1nccc2)O 271570a_203496583355_100010256708 [0,1,0,1,0,0|0,0,1]=3 4891 B14R2.203 CSc1c(ccc2c1cccc2)O 62a_200000210301_100000183829 [0,1,0,1,0,0|0,1,1]=4 4892 B14R2.203 CSc1c(ccc2c1cncc2)O 62a_200000210301_200010115057 [0,1,0,1,0,0|0,1,1]=4 4893 B14R2.203 CSc1c(ccc2c1nccc2)O 62a_200000210301_100010173343 [0,1,0,1,0,0|0,1,1]=4 4894 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 34a_100000039261_200025704644 [0,1,0,1,0,0|1,0,1]=4 4895 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 7a_100000039261_200025704644 [0,1,0,1,0,0|1,0,1]=4 4896 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)O 34a_100000007056_200025704644 [0,1,0,1,0,0|1,0,1]=4 4897 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 34a_100009996032_200025704644 [0,1,0,1,0,0|1,0,1]=4 4898 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 7a_100009996032_200025704644 [0,1,0,1,0,0|1,0,1]=4 4899 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)N 34a_100000007060_200025704644 [0,1,0,1,0,0|1,0,1]=4 4900 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Br 34a_100009816563_200025704644 [0,1,0,1,0,0|1,0,1]=4 4901 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 34a_100000700379_200025704644 [0,1,0,1,0,0|1,0,1]=4 4902 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 7a_100000700379_200025704644 [0,1,0,1,0,0|1,0,1]=4 4903 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)O 62a_200025704644_100000183829 [0,1,0,1,0,0|0,1,1]=4 4904 B14R2.203 [13CH3]Sc1c(ccc2c1cncc2)O 62a_200025704644_200010115057 [0,1,0,1,0,0|0,1,1]=4 4905 B14R2.203 [13CH3]Sc1c(ccc2c1nccc2)O 62a_200025704644_100010173343 [0,1,0,1,0,0|0,1,1]=4 4906 B14R2.991 C#CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000038162 [0,1,0,1,0,0|0,0,2]=4 4907 B14R2.991 C#CCNc1ccc2c(c1)OCO2 34a_100000209953_100000184674 [0,1,0,1,0,0|0,0,2]=4 4908 B14R2.991 C#CCOc1ccc2c(c1)OCO2 34a_100000210298_100000184674 [0,1,0,1,0,0|0,0,2]=4 4909 B14R2.991 C=CCNc1ccc2c(c1)CCC2 2230a_100000211504_100000210623 [0,1,0,1,0,0|2,0,0]=4 4910 B14R2.991 C=CCNc1ccc2c(c1)CCC2 34a_100000211504_100015514636 [0,1,0,1,0,0|2,0,0]=4 4911 B14R2.991 C=CCNc1ccc2c(c1)CCO2 2230a_100000736984_100000210623 [0,1,0,1,0,0|1,0,0]=3 4912 B14R2.991 C=CCNc1ccc2c(c1)CCO2 34a_100000736984_100015514636 [0,1,0,1,0,0|1,0,0]=3 4913 B14R2.991 C=CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210623 [0,1,0,1,0,0|0,0,0]=2 4914 B14R2.991 C=CCNc1ccc2c(c1)OCO2 34a_100000209953_100015514636 [0,1,0,1,0,0|0,0,0]=2 4915 B14R2.991 C=CCNc1ccc2ccoc2c1 34a_100000102395_100015514636 [0,1,0,1,0,0|1,0,1]=4 4916 B14R2.991 C=CCNc1ccc2cnoc2c1 34a_100000084182_100015514636 [0,1,0,1,0,0|2,0,0]=4 4917 B14R2.991 C=CCNc1ccc2ncoc2c1 34a_100011248239_100015514636 [0,1,0,1,0,0|1,0,1]=4 4918 B14R2.991 C=CCNc1ccc2occc2c1 34a_106430523501_100015514636 [0,1,0,1,0,0|1,0,1]=4 4919 B14R2.991 C=CCNc1ccc2ocnc2c1 34a_100011219863_100015514636 [0,1,0,1,0,0|1,0,1]=4 4920 B14R2.991 C=CCNc1ccc2oncc2c1 34a_100000037595_100015514636 [0,1,0,1,0,0|2,0,0]=4 4921 B14R2.991 C=CCOc1ccc2c(c1)CCC2 34a_100000209987_100015514636 [0,1,0,1,0,0|2,0,0]=4 4922 B14R2.991 C=CCOc1ccc2c(c1)CCC2 7a_100000209987_100015514636 [0,1,0,1,0,0|2,0,0]=4 4923 B14R2.991 C=CCOc1ccc2c(c1)CCN2 34a_100020636429_100015514636 [0,1,0,1,0,0|2,0,0]=4 4924 B14R2.991 C=CCOc1ccc2c(c1)NCC2 34a_100020636427_100015514636 [0,1,0,1,0,0|2,0,0]=4 4925 B14R2.991 C=CCOc1ccc2c(c1)OCO2 34a_100000210298_100015514636 [0,1,0,1,0,0|0,0,0]=2 4926 B14R2.991 C=CCOc1ccc2ccoc2c1 34a_100000089557_100015514636 [0,1,0,1,0,0|1,0,1]=4 4927 B14R2.991 C=CCOc1ccc2ccoc2c1 7a_100000089557_100015514636 [0,1,0,1,0,0|1,0,1]=4 4928 B14R2.991 C=CCOc1ccc2cnoc2c1 34a_100000098417_100015514636 [0,1,0,1,0,0|2,0,0]=4 4929 B14R2.991 C=CCOc1ccc2cnoc2c1 7a_100000098417_100015514636 [0,1,0,1,0,0|2,0,0]=4 4930 B14R2.991 C=CCOc1ccc2occc2c1 34a_100000070125_100015514636 [0,1,0,1,0,0|1,0,1]=4 4931 B14R2.991 C=CCOc1ccc2occc2c1 7a_100000070125_100015514636 [0,1,0,1,0,0|1,0,1]=4 4932 B14R2.991 C=CCSc1cc2c(cn1)OCC2 62a_100000210623_102495363667 [0,1,0,1,0,0|2,0,0]=4 4933 B14R2.991 C=CCSc1cc2c(cn1)OCC2 62a_102495363667_100000210623 [0,1,0,1,0,0|2,0,0]=4 4934 B14R2.991 C=CCSc1ccc2c(c1)CCC2 62a_100000210623_100000745594 [0,1,0,1,0,0|2,0,0]=4 4935 B14R2.991 C=CCSc1ccc2c(c1)CCC2 62a_100000745594_100000210623 [0,1,0,1,0,0|2,0,0]=4 4936 B14R2.991 C=CCSc1ccc2c(c1)CCN2 62a_100000210623_100000691068 [0,1,0,1,0,0|2,0,0]=4 4937 B14R2.991 C=CCSc1ccc2c(c1)CCN2 62a_100000691068_100000210623 [0,1,0,1,0,0|2,0,0]=4 4938 B14R2.991 C=CCSc1ccc2c(c1)CCO2 62a_100000210623_100000729065 [0,1,0,1,0,0|1,0,0]=3 4939 B14R2.991 C=CCSc1ccc2c(c1)CCO2 62a_100000729065_100000210623 [0,1,0,1,0,0|1,0,0]=3 4940 B14R2.991 C=CCSc1ccc2c(c1)NCC2 62a_100000210623_100000754641 [0,1,0,1,0,0|2,0,0]=4 4941 B14R2.991 C=CCSc1ccc2c(c1)NCC2 62a_100000754641_100000210623 [0,1,0,1,0,0|2,0,0]=4 4942 B14R2.991 C=CCSc1ccc2c(c1)OCC2 62a_100000210623_100009818566 [0,1,0,1,0,0|1,0,0]=3 4943 B14R2.991 C=CCSc1ccc2c(c1)OCC2 62a_100009818566_100000210623 [0,1,0,1,0,0|1,0,0]=3 4944 B14R2.991 C=CCSc1ccc2ccoc2c1 62a_100000210623_100000759542 [0,1,0,1,0,0|1,0,1]=4 4945 B14R2.991 C=CCSc1ccc2cnoc2c1 62a_100000210623_100009817722 [0,1,0,1,0,0|2,0,0]=4 4946 B14R2.991 C=CCSc1ccc2ncoc2c1 62a_100000210623_100009817590 [0,1,0,1,0,0|1,0,1]=4 4947 B14R2.991 C=CCSc1ccc2occc2c1 62a_100000210623_100000691453 [0,1,0,1,0,0|1,0,1]=4 4948 B14R2.991 C=CCSc1ccc2ocnc2c1 62a_100000210623_100009816175 [0,1,0,1,0,0|1,0,1]=4 4949 B14R2.991 C=CCSc1ccc2oncc2c1 62a_100000210623_100009817723 [0,1,0,1,0,0|2,0,0]=4 4950 B14R2.991 CCCCc1ccc2c(c1)OCO2 271570a_100020621405_100000688060 [0,1,0,1,0,0|0,0,2]=4 4951 B14R2.991 CCCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210303 [0,1,0,1,0,0|0,0,2]=4 4952 B14R2.991 CCCNc1ccc2c(c1)OCO2 34a_100000209953_100000210303 [0,1,0,1,0,0|0,0,2]=4 4953 B14R2.991 CCCOc1ccc2c(c1)OCO2 34a_100000210298_100000210303 [0,1,0,1,0,0|0,0,2]=4 4954 B14R2.991 CCNCc1ccc2c(c1)OCO2 2230a_100000210006_100000210202 [0,1,0,1,0,0|0,0,2]=4 4955 B14R2.991 CCNCc1ccc2c(c1)OCO2 34a_100000210006_100000210202 [0,1,0,1,0,0|0,0,2]=4 4956 B14R2.991 CCOCc1ccc2c(c1)OCO2 34a_100000210967_100000210202 [0,1,0,1,0,0|0,0,2]=4 4957 B14R2.991 CCOCc1ccc2c(c1)OCO2 34a_100121572206_100000189651 [0,1,0,1,0,0|0,0,2]=4 4958 B14R2.991 CNCCc1ccc2c(c1)OCO2 2230a_100000204656_200000210301 [0,1,0,1,0,0|0,0,2]=4 4959 B14R2.991 CNCCc1ccc2c(c1)OCO2 34a_100000204656_200000210301 [0,1,0,1,0,0|0,0,2]=4 4960 B14R2.991 COCCc1ccc2c(c1)OCO2 34a_100011934097_200000210301 [0,1,0,1,0,0|0,0,2]=4 4961 B14R2.991 COCNc1ccc2c(c1)OCO2 2230a_100000209953_100000766300 [0,1,0,1,0,0|1,0,1]=4 4962 B14R2.991 CSCNc1ccc2c(c1)OCO2 2230a_100000209953_100011218213 [0,1,0,1,0,0|1,0,1]=4 4963 B14R2.991 CSCNc1ccc2c(c1)OCO2 34a_100000209953_100011218213 [0,1,0,1,0,0|1,0,1]=4 4964 B14R2.991 CSCOc1ccc2c(c1)OCO2 34a_100000210298_100011218213 [0,1,0,1,0,0|1,0,1]=4 4965 B14R2.991 FCCNc1ccc2c(c1)OCO2 2230a_100000209953_100011217306 [0,1,0,1,0,0|1,0,1]=4 4966 B14R2.991 FCCNc1ccc2c(c1)OCO2 34a_100000209953_100011217306 [0,1,0,1,0,0|1,0,1]=4 4967 B14R2.991 FCCOc1ccc2c(c1)OCO2 34a_100000210298_100011217306 [0,1,0,1,0,0|1,0,1]=4 4968 B14R2.991 FCNCc1ccc2c(c1)OCO2 34a_100000210006_100015361967 [0,1,0,1,0,0|1,0,1]=4 4969 B14R2.991 FCOCc1ccc2c(c1)OCO2 34a_100000210967_100015361967 [0,1,0,1,0,0|1,0,1]=4 4970 B14R2.991 N#CCNc1ccc2c(c1)OCO2 2230a_100000209953_100011215382 [0,1,0,1,0,0|1,0,1]=4 4971 B14R2.991 O=CCNc1ccc2c(c1)CCO2 2230a_100000736984_200015260668 [0,1,0,1,0,0|2,0,0]=4 4972 B14R2.991 O=CCNc1ccc2c(c1)CCO2 34a_100000736984_200009817547 [0,1,0,1,0,0|2,0,0]=4 4973 B14R2.991 O=CCNc1ccc2c(c1)OCO2 2230a_100000209953_200015260668 [0,1,0,1,0,0|1,0,0]=3 4974 B14R2.991 O=CCNc1ccc2c(c1)OCO2 34a_100000209953_200009817547 [0,1,0,1,0,0|1,0,0]=3 4975 B14R2.991 O=CCOc1ccc2c(c1)OCO2 34a_100000210298_200009817547 [0,1,0,1,0,0|1,0,0]=3 4976 B14R2.991 O=CCSc1ccc2c(c1)CCO2 62a_100000729065_200015260668 [0,1,0,1,0,0|2,0,0]=4 4977 B14R2.991 O=CCSc1ccc2c(c1)CCO2 62a_200015260668_100000729065 [0,1,0,1,0,0|2,0,0]=4 4978 B14R2.991 O=CCSc1ccc2c(c1)OCC2 62a_100009818566_200015260668 [0,1,0,1,0,0|2,0,0]=4 4979 B14R2.991 O=CCSc1ccc2c(c1)OCC2 62a_200015260668_100009818566 [0,1,0,1,0,0|2,0,0]=4 4980 B14R2.991 OCCNc1ccc2c(c1)OCO2 2230a_100000209953_100000211926 [0,1,0,1,0,0|1,0,1]=4 4981 B14R2.991 OCCNc1ccc2c(c1)OCO2 34a_100000209953_100000211926 [0,1,0,1,0,0|1,0,1]=4 4982 B14R2.991 OCCOc1ccc2c(c1)OCO2 34a_100000210298_100000211926 [0,1,0,1,0,0|1,0,1]=4 4983 B14R2.991 [13CH3]NCCc1ccc2c(c1)OCO2 2230a_100000204656_200025704644 [0,1,0,1,0,0|0,0,2]=4 4984 B14R2.991 [13CH3]NCCc1ccc2c(c1)OCO2 34a_100000204656_200025704644 [0,1,0,1,0,0|0,0,2]=4 4985 B14R2.991 [13CH3]OCCc1ccc2c(c1)OCO2 34a_100011934097_200025704644 [0,1,0,1,0,0|0,0,2]=4 4986 B14R2.1128 COc1cc2ccccc2cc1Br 34a_100009817189_200000210301 [0,1,0,1,0,0|1,0,1]=4 4987 B14R2.1128 COc1cc2ccccc2cc1Br 7a_100009817189_200000210301 [0,1,0,1,0,0|1,0,1]=4 4988 B14R2.1128 COc1cc2ccccc2cc1C 34a_100000091601_200000210301 [0,1,0,1,0,0|1,0,1]=4 4989 B14R2.1128 COc1cc2ccccc2cc1C 7a_100000091601_200000210301 [0,1,0,1,0,0|1,0,1]=4 4990 B14R2.1128 COc1cc2ccccc2cc1N 34a_106744474703_200000210301 [0,1,0,1,0,0|1,0,1]=4 4991 B14R2.1128 COc1cc2ccccc2cc1N 7a_106744474703_200000210301 [0,1,0,1,0,0|1,0,1]=4 4992 B14R2.1128 COc1cc2ccccc2cc1O 271570a_203496583355_100009817100 [0,1,0,1,0,0|0,0,1]=3 4993 B14R2.1128 COc1cc2cccnc2cc1Br 34a_200010153759_200000210301 [0,1,0,1,0,0|1,0,1]=4 4994 B14R2.1128 COc1cc2cccnc2cc1Br 7a_200010153759_200000210301 [0,1,0,1,0,0|1,0,1]=4 4995 B14R2.1128 COc1cc2cccnc2cc1O 271570a_203496583355_100011093944 [0,1,0,1,0,0|0,0,1]=3 4996 B14R2.1128 COc1cc2ccncc2cc1O 271570a_203496583355_100010990640 [0,1,0,1,0,0|0,0,1]=3 4997 B14R2.1128 COc1cc2ncccc2cc1O 271570a_203496583355_100020706834 [0,1,0,1,0,0|0,0,1]=3 4998 B14R2.1128 COc1nc2ccccc2cc1O 271570a_203496583355_100009820890 [0,1,0,1,0,0|1,0,1]=4 4999 B14R2.1128 CSc1cc2ccccc2cc1O 62a_200000210301_100009817189 [0,1,0,1,0,0|0,1,1]=4 5000 B14R2.1128 CSc1cc2ncccc2cc1O 62a_200000210301_200010153759 [0,1,0,1,0,0|0,1,1]=4 5001 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 34a_100000091601_200025704644 [0,1,0,1,0,0|1,0,1]=4 5002 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 7a_100000091601_200025704644 [0,1,0,1,0,0|1,0,1]=4 5003 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 34a_100009817189_200025704644 [0,1,0,1,0,0|1,0,1]=4 5004 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 7a_100009817189_200025704644 [0,1,0,1,0,0|1,0,1]=4 5005 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 34a_106744474703_200025704644 [0,1,0,1,0,0|1,0,1]=4 5006 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 7a_106744474703_200025704644 [0,1,0,1,0,0|1,0,1]=4 5007 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 34a_200010153759_200025704644 [0,1,0,1,0,0|1,0,1]=4 5008 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 7a_200010153759_200025704644 [0,1,0,1,0,0|1,0,1]=4 5009 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1O 62a_200025704644_100009817189 [0,1,0,1,0,0|0,1,1]=4 5010 B14R2.1128 [13CH3]Sc1cc2ncccc2cc1O 62a_200025704644_200010153759 [0,1,0,1,0,0|0,1,1]=4 5011 B14R2.1416 COc1cc2c(cc1O)C(=O)CC2 271570a_203496583355_200010010916 [0,1,0,1,0,0|0,0,1]=3 5012 B14R2.808 C=C=Cc1ccc2c(c1C)OCO2 271570a_100015277604_100010335860 [0,1,0,1,0,0|0,0,2]=4 5013 B14R2.808 C=C=Cc1ccc2c(c1F)OCO2 271570a_100015277604_100010223184 [0,1,0,1,0,0|0,0,2]=4 5014 B14R2.808 CC=Cc1ccc2c(c1C)OCO2 271570a_100016259895_100010335860 [0,1,0,1,0,0|0,0,2]=4 5015 B14R2.808 CC=Cc1ccc2c(c1F)OCO2 271570a_100016259895_100010223184 [0,1,0,1,0,0|0,0,2]=4 5016 B14R2.2292 COc1cc(c(cc1O)F)C2CC2 271570a_100011220607_100010189133 [0,1,0,1,0,0|0,0,2]=4 5017 B14R2.587 CNCc1cc(c2c(c1)OCO2)Br 207a_100102657272_100000682445 [0,1,0,1,0,0|1,0,1]=4 5018 B14R2.587 CNCc1cc(c2c(c1)OCO2)Br 270004a_106832991635_100000682445 [0,1,0,1,0,0|1,0,1]=4 5019 B14R2.587 CNCc1cc(c2c(c1)OCO2)Cl 207a_100102657272_100000016197 [0,1,0,1,0,0|1,0,1]=4 5020 B14R2.587 CNCc1cc(c2c(c1)OCO2)Cl 270004a_106832991635_100000016197 [0,1,0,1,0,0|1,0,1]=4 5021 B14R2.587 COCc1cc(c2c(c1)OCO2)Cl 34a_100000198975_200000210301 [0,1,0,1,0,0|1,0,1]=4 5022 B14R2.587 COCc1cc(c2c(c1)OCO2)Cl 7a_100000198975_200000210301 [0,1,0,1,0,0|1,0,1]=4 5023 B14R2.587 [13CH3]OCc1cc(c2c(c1)OCO2)Cl 34a_100000198975_200025704644 [0,1,0,1,0,0|1,0,1]=4 5024 B14R2.587 [13CH3]OCc1cc(c2c(c1)OCO2)Cl 7a_100000198975_200025704644 [0,1,0,1,0,0|1,0,1]=4 5025 B14R3.3015 c1cc2c(cc1C3CC3)OCO2 271570a_100011220607_100000688060 [0,0,0,2,0,0|0,0,2]=4 5026 B12R1.112 C=C=Cc1ccc(cc1OC)O 271570a_100015277604_100011827694 [0,0,0,0,1,1|0,0,2]=4 5027 B12R1.112 CC=Cc1ccc(cc1OC)O 271570a_100016259895_100011827694 [0,0,0,0,1,1|0,0,2]=4 5028 B12R1.112 COc1cc(ccc1CC#N)O 271570a_203496583355_100010245117 [0,0,0,0,1,1|1,0,1]=4 5029 B12R1.542 C=C=Cc1cccc(c1OC)O 271570a_100015277604_100010234590 [0,0,0,0,1,1|0,0,2]=4 5030 B12R1.542 C=C=Cc1nccc(c1OC)O 271570a_100015277604_100000104430 [0,0,0,0,1,1|0,0,2]=4 5031 B12R1.542 C=CCc1cccc(c1OC)C 34a_200011218211_200000210301 [0,0,0,0,1,1|1,0,0]=3 5032 B12R1.542 C=CCc1cccc(c1OC)C 7a_200011218211_200000210301 [0,0,0,0,1,1|1,0,0]=3 5033 B12R1.542 C=CCc1cccc(c1O[13CH3])C 34a_200011218211_200025704644 [0,0,0,0,1,1|1,0,0]=3 5034 B12R1.542 C=CCc1cccc(c1O[13CH3])C 7a_200011218211_200025704644 [0,0,0,0,1,1|1,0,0]=3 5035 B12R1.542 CC=Cc1cccc(c1OC)O 271570a_100016259895_100010234590 [0,0,0,0,1,1|0,0,2]=4 5036 B12R1.542 CC=Cc1nccc(c1OC)O 271570a_100016259895_100000104430 [0,0,0,0,1,1|0,0,2]=4 5037 B12R1.542 COc1c(cccc1CC#N)O 271570a_203496583355_100010146820 [0,0,0,0,1,1|1,0,1]=4