0 B13R1.575 C#CCNc1ccc(c(c1)OC)O 34a_100000726020_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.575 C#CCSc1ccc(c(c1)OC)O 62a_100000038162_100000694246 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.575 C=CCNc1ccc(c(c1)OC)O 34a_100000726020_100015514636 [0,0,0,0,0,0|2,0,2]=4 3 B13R1.575 C=CCSc1ccc(c(c1)OC)O 62a_100000210623_100000694246 [0,0,0,0,0,0|2,0,2]=4 4 B13R1.575 CCCCc1ccc(c(c1)CC)O 271570a_100020621405_100012338938 [0,0,0,0,0,0|2,0,2]=4 5 B13R1.575 CCCCc1ccc(c(c1)OC)Br 271570a_100020621405_100012353699 [0,0,0,0,0,0|2,0,2]=4 6 B13R1.575 CCCCc1ccc(c(c1)OC)C 271570a_100020621405_100011830276 [0,0,0,0,0,0|2,0,2]=4 7 B13R1.575 CCCCc1ccc(c(c1)OC)Cl 271570a_100020621405_100011356853 [0,0,0,0,0,0|2,0,2]=4 8 B13R1.575 CCCCc1ccc(c(c1)OC)F 271570a_100020621405_100011934186 [0,0,0,0,0,0|2,0,2]=4 9 B13R1.575 CCCCc1ccc(c(c1)OC)N 271570a_100020621405_100011279103 [0,0,0,0,0,0|2,0,2]=4 10 B13R1.575 CCCCc1ccc(c(c1)OC)O 271570a_100020621405_100000694246 [0,0,0,0,0,0|1,0,2]=3 11 B13R1.575 CCCCc1ccc(c(n1)OC)O 271570a_100020621405_100010893133 [0,0,0,0,0,0|2,0,2]=4 12 B13R1.575 CCCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210303 [0,0,0,0,0,0|3,0,1]=4 13 B13R1.575 CCCNc1ccc(c(c1)OC)Br 34a_100000765947_100000210303 [0,0,0,0,0,0|3,0,1]=4 14 B13R1.575 CCCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210303 [0,0,0,0,0,0|3,0,1]=4 15 B13R1.575 CCCNc1ccc(c(c1)OC)C 34a_100011279678_100000210303 [0,0,0,0,0,0|3,0,1]=4 16 B13R1.575 CCCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210303 [0,0,0,0,0,0|3,0,1]=4 17 B13R1.575 CCCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000210303 [0,0,0,0,0,0|3,0,1]=4 18 B13R1.575 CCCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210303 [0,0,0,0,0,0|3,0,1]=4 19 B13R1.575 CCCNc1ccc(c(c1)OC)F 34a_100000701188_100000210303 [0,0,0,0,0,0|3,0,1]=4 20 B13R1.575 CCCNc1ccc(c(c1)OC)I 34a_100000746945_100000210303 [0,0,0,0,0,0|3,0,1]=4 21 B13R1.575 CCCNc1ccc(c(c1)OC)O 34a_100000726020_100000210303 [0,0,0,0,0,0|2,0,1]=3 22 B13R1.575 CCCOc1ccc(c(c1)OC)Br 34a_100011827694_100000210303 [0,0,0,0,0,0|3,0,1]=4 23 B13R1.575 CCCOc1ccc(c(c1)OC)Br 7a_100011827694_100000210303 [0,0,0,0,0,0|3,0,1]=4 24 B13R1.575 CCCOc1ccc(c(c1)OC)C 34a_100009865632_100000210303 [0,0,0,0,0,0|3,0,1]=4 25 B13R1.575 CCCOc1ccc(c(c1)OC)C 7a_100009865632_100000210303 [0,0,0,0,0,0|3,0,1]=4 26 B13R1.575 CCCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000210303 [0,0,0,0,0,0|3,0,1]=4 27 B13R1.575 CCCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000210303 [0,0,0,0,0,0|3,0,1]=4 28 B13R1.575 CCCOc1ccc(c(c1)OC)F 34a_100012001760_100000210303 [0,0,0,0,0,0|3,0,1]=4 29 B13R1.575 CCCOc1ccc(c(c1)OC)F 7a_100012001760_100000210303 [0,0,0,0,0,0|3,0,1]=4 30 B13R1.575 CCCOc1ccc(c(c1)OC)N 34a_100015326901_100000210303 [0,0,0,0,0,0|3,0,1]=4 31 B13R1.575 CCCOc1ccc(c(c1)OC)N 7a_100015326901_100000210303 [0,0,0,0,0,0|3,0,1]=4 32 B13R1.575 CCCSc1ccc(c(c1)CC)O 62a_100000210303_100012338938 [0,0,0,0,0,0|3,0,1]=4 33 B13R1.575 CCCSc1ccc(c(c1)OC)Br 62a_100000210303_100012353699 [0,0,0,0,0,0|3,0,1]=4 34 B13R1.575 CCCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210303 [0,0,0,0,0,0|3,0,1]=4 35 B13R1.575 CCCSc1ccc(c(c1)OC)C 62a_100000210303_100011830276 [0,0,0,0,0,0|3,0,1]=4 36 B13R1.575 CCCSc1ccc(c(c1)OC)C 62a_100011830276_100000210303 [0,0,0,0,0,0|3,0,1]=4 37 B13R1.575 CCCSc1ccc(c(c1)OC)Cl 62a_100000210303_100011356853 [0,0,0,0,0,0|3,0,1]=4 38 B13R1.575 CCCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210303 [0,0,0,0,0,0|3,0,1]=4 39 B13R1.575 CCCSc1ccc(c(c1)OC)F 62a_100000210303_100011934186 [0,0,0,0,0,0|3,0,1]=4 40 B13R1.575 CCCSc1ccc(c(c1)OC)F 62a_100011934186_100000210303 [0,0,0,0,0,0|3,0,1]=4 41 B13R1.575 CCCSc1ccc(c(c1)OC)N 62a_100000210303_100015196925 [0,0,0,0,0,0|3,0,1]=4 42 B13R1.575 CCCSc1ccc(c(c1)OC)N 62a_100011279103_100000210303 [0,0,0,0,0,0|3,0,1]=4 43 B13R1.575 CCCSc1ccc(c(c1)OC)O 62a_100000210303_100000694246 [0,0,0,0,0,0|2,0,1]=3 44 B13R1.575 CCCSc1ccc(c(n1)OC)O 62a_100000210303_100010893133 [0,0,0,0,0,0|3,0,1]=4 45 B13R1.575 CCNCc1ccc(c(c1)OC)Br 207a_100015525214_100010244714 [0,0,0,0,0,0|3,0,1]=4 46 B13R1.575 CCNCc1ccc(c(c1)OC)Br 2230a_100015525214_100010110085 [0,0,0,0,0,0|3,0,1]=4 47 B13R1.575 CCNCc1ccc(c(c1)OC)Br 270004a_100015525214_100010244714 [0,0,0,0,0,0|3,0,1]=4 48 B13R1.575 CCNCc1ccc(c(c1)OC)C 207a_100015525214_100000719150 [0,0,0,0,0,0|3,0,1]=4 49 B13R1.575 CCNCc1ccc(c(c1)OC)C 270004a_100015525214_100000719150 [0,0,0,0,0,0|3,0,1]=4 50 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 207a_100015525214_100011998524 [0,0,0,0,0,0|3,0,1]=4 51 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 2230a_100015204853_100000210202 [0,0,0,0,0,0|3,0,1]=4 52 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 2230a_100015525214_200010214485 [0,0,0,0,0,0|3,0,1]=4 53 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 270004a_100015525214_100011998524 [0,0,0,0,0,0|3,0,1]=4 54 B13R1.575 CCNCc1ccc(c(c1)OC)Cl 34a_100015204853_100000210202 [0,0,0,0,0,0|3,0,1]=4 55 B13R1.575 CCNCc1ccc(c(c1)OC)F 207a_100015525214_100000692873 [0,0,0,0,0,0|3,0,1]=4 56 B13R1.575 CCNCc1ccc(c(c1)OC)F 2230a_100015525214_100012349856 [0,0,0,0,0,0|3,0,1]=4 57 B13R1.575 CCNCc1ccc(c(c1)OC)F 2230a_100020626639_100000210202 [0,0,0,0,0,0|3,0,1]=4 58 B13R1.575 CCNCc1ccc(c(c1)OC)F 270004a_100015525214_100000692873 [0,0,0,0,0,0|3,0,1]=4 59 B13R1.575 CCNCc1ccc(c(c1)OC)F 34a_100020626639_100000210202 [0,0,0,0,0,0|3,0,1]=4 60 B13R1.575 CCNCc1ccc(c(c1)OC)O 34a_100000185554_100000210202 [0,0,0,0,0,0|2,0,1]=3 61 B13R1.575 CCOCc1ccc(c(c1)OC)Br 34a_100010234685_100000210202 [0,0,0,0,0,0|3,0,1]=4 62 B13R1.575 CCOCc1ccc(c(c1)OC)Br 34a_100121572206_100010110085 [0,0,0,0,0,0|3,0,1]=4 63 B13R1.575 CCOCc1ccc(c(c1)OC)Br 7a_100010234685_100000210202 [0,0,0,0,0,0|3,0,1]=4 64 B13R1.575 CCOCc1ccc(c(c1)OC)C 34a_100000752651_100000210202 [0,0,0,0,0,0|3,0,1]=4 65 B13R1.575 CCOCc1ccc(c(c1)OC)C 7a_100000752651_100000210202 [0,0,0,0,0,0|3,0,1]=4 66 B13R1.575 CCOCc1ccc(c(c1)OC)Cl 34a_100012179228_100000210202 [0,0,0,0,0,0|3,0,1]=4 67 B13R1.575 CCOCc1ccc(c(c1)OC)Cl 34a_100121572206_200010214485 [0,0,0,0,0,0|3,0,1]=4 68 B13R1.575 CCOCc1ccc(c(c1)OC)F 34a_100000692429_100000210202 [0,0,0,0,0,0|3,0,1]=4 69 B13R1.575 CCOCc1ccc(c(c1)OC)F 34a_100121572206_100012349856 [0,0,0,0,0,0|3,0,1]=4 70 B13R1.575 CCOCc1ccc(c(c1)OC)F 7a_100000692429_100000210202 [0,0,0,0,0,0|3,0,1]=4 71 B13R1.575 CCOCc1ccc(c(c1)OC)N 34a_100000087641_100000210202 [0,0,0,0,0,0|3,0,1]=4 72 B13R1.575 CCSCc1ccc(c(c1)OC)Br 62a_100000210202_100010110085 [0,0,0,0,0,0|3,0,1]=4 73 B13R1.575 CCSCc1ccc(c(c1)OC)Br 62a_100010110085_100000210202 [0,0,0,0,0,0|3,0,1]=4 74 B13R1.575 CCSCc1ccc(c(c1)OC)Cl 62a_100000210202_200010214485 [0,0,0,0,0,0|3,0,1]=4 75 B13R1.575 CCSCc1ccc(c(c1)OC)Cl 62a_200010214485_100000210202 [0,0,0,0,0,0|3,0,1]=4 76 B13R1.575 CCSCc1ccc(c(c1)OC)F 62a_100000210202_100012349856 [0,0,0,0,0,0|3,0,1]=4 77 B13R1.575 CCSCc1ccc(c(c1)OC)F 62a_100012349856_100000210202 [0,0,0,0,0,0|3,0,1]=4 78 B13R1.575 CCc1cc(ccc1Br)NCCO 2230a_100010109747_100000211926 [0,0,0,0,0,0|3,0,1]=4 79 B13R1.575 CCc1cc(ccc1Br)NCCO 34a_100010109747_100000211926 [0,0,0,0,0,0|3,0,1]=4 80 B13R1.575 CCc1cc(ccc1Br)NCCO 7a_100010109747_100000211926 [0,0,0,0,0,0|3,0,1]=4 81 B13R1.575 CCc1cc(ccc1Br)SCCO 62a_100000211926_100010244631 [0,0,0,0,0,0|3,0,1]=4 82 B13R1.575 CCc1cc(ccc1Br)SCCO 62a_100010244631_100000211926 [0,0,0,0,0,0|3,0,1]=4 83 B13R1.575 CCc1cc(ccc1Cl)OCCO 34a_100000212063_100000211926 [0,0,0,0,0,0|3,0,1]=4 84 B13R1.575 CCc1cc(ccc1Cl)OCCO 7a_100000212063_100000211926 [0,0,0,0,0,0|3,0,1]=4 85 B13R1.575 CCc1cc(ccc1F)SCCO 62a_100000211926_100010244625 [0,0,0,0,0,0|3,0,1]=4 86 B13R1.575 CCc1cc(ccc1F)SCCO 62a_100010244625_100000211926 [0,0,0,0,0,0|3,0,1]=4 87 B13R1.575 CCc1cc(ccc1N)SCCO 62a_100000211926_100000686106 [0,0,0,0,0,0|3,0,1]=4 88 B13R1.575 CCc1cc(ccc1N)SCCO 62a_100000686106_100000211926 [0,0,0,0,0,0|3,0,1]=4 89 B13R1.575 CCc1cc(ccc1O)SCCF 62a_100011217306_100012338938 [0,0,0,0,0,0|3,0,1]=4 90 B13R1.575 CCc1cc(ccc1O)SCCO 62a_100000211926_100012338938 [0,0,0,0,0,0|2,0,1]=3 91 B13R1.575 CNCCc1ccc(c(c1)OC)O 2230a_106832991635_100010741665 [0,0,0,0,0,0|2,0,2]=4 92 B13R1.575 CNCCc1ccc(c(c1)OC)O 34a_100000756042_200000210301 [0,0,0,0,0,0|2,0,2]=4 93 B13R1.575 CNCCc1ccc(c(c1)OC)O 7a_106832991635_100010741665 [0,0,0,0,0,0|2,0,2]=4 94 B13R1.575 CNc1cc(ccc1C)OCCO 2230a_100012283766_200000210301 [0,0,0,0,0,0|3,0,1]=4 95 B13R1.575 CNc1cc(ccc1C)OCCO 34a_100012283766_200000210301 [0,0,0,0,0,0|3,0,1]=4 96 B13R1.575 CNc1cc(ccc1C)OCCO 7a_100012283766_200000210301 [0,0,0,0,0,0|3,0,1]=4 97 B13R1.575 CNc1cc(ccc1C)SCCO 62a_100000211926_100020629602 [0,0,0,0,0,0|3,0,1]=4 98 B13R1.575 CNc1cc(ccc1C)SCCO 62a_100020629602_100000211926 [0,0,0,0,0,0|3,0,1]=4 99 B13R1.575 CNc1cc(ccc1F)SCCO 62a_100000211926_100011314990 [0,0,0,0,0,0|3,0,1]=4 100 B13R1.575 CNc1cc(ccc1F)SCCO 62a_100011314990_100000211926 [0,0,0,0,0,0|3,0,1]=4 101 B13R1.575 CNc1cc(ccc1N)SCCO 62a_100000694363_100000211926 [0,0,0,0,0,0|3,0,1]=4 102 B13R1.575 COCSc1ccc(c(c1)OC)O 62a_100000766300_100000694246 [0,0,0,0,0,0|3,0,1]=4 103 B13R1.575 COc1cc(c[nH]c1=O)SCCO 62a_100000211926_100010125397 [0,0,0,0,0,0|2,0,2]=4 104 B13R1.575 COc1cc(ccc1Br)COCF 34a_100010234685_100015361967 [0,0,0,0,0,0|3,0,1]=4 105 B13R1.575 COc1cc(ccc1Br)COCF 7a_100010234685_100015361967 [0,0,0,0,0,0|3,0,1]=4 106 B13R1.575 COc1cc(ccc1Br)CSCF 62a_100010110085_100015361967 [0,0,0,0,0,0|3,0,1]=4 107 B13R1.575 COc1cc(ccc1Br)CSCF 62a_100015361967_100010110085 [0,0,0,0,0,0|3,0,1]=4 108 B13R1.575 COc1cc(ccc1Br)NCCF 2230a_100000765947_100011217306 [0,0,0,0,0,0|3,0,1]=4 109 B13R1.575 COc1cc(ccc1Br)NCCF 34a_100000765947_100011217306 [0,0,0,0,0,0|3,0,1]=4 110 B13R1.575 COc1cc(ccc1Br)NCCO 2230a_100000765947_100000211926 [0,0,0,0,0,0|2,0,1]=3 111 B13R1.575 COc1cc(ccc1Br)NCCO 34a_100000765947_100000211926 [0,0,0,0,0,0|2,0,1]=3 112 B13R1.575 COc1cc(ccc1Br)OCCF 34a_100011827694_100011217306 [0,0,0,0,0,0|3,0,1]=4 113 B13R1.575 COc1cc(ccc1Br)OCCF 7a_100011827694_100011217306 [0,0,0,0,0,0|3,0,1]=4 114 B13R1.575 COc1cc(ccc1Br)OCCO 34a_100011827694_100000211926 [0,0,0,0,0,0|2,0,1]=3 115 B13R1.575 COc1cc(ccc1Br)OCCO 7a_100011827694_100000211926 [0,0,0,0,0,0|2,0,1]=3 116 B13R1.575 COc1cc(ccc1Br)SCCF 62a_100011217306_100012353699 [0,0,0,0,0,0|3,0,1]=4 117 B13R1.575 COc1cc(ccc1Br)SCCF 62a_100012353699_100011217306 [0,0,0,0,0,0|3,0,1]=4 118 B13R1.575 COc1cc(ccc1Br)SCCO 62a_100000211926_100012353699 [0,0,0,0,0,0|2,0,1]=3 119 B13R1.575 COc1cc(ccc1Br)SCCO 62a_100012353699_100000211926 [0,0,0,0,0,0|2,0,1]=3 120 B13R1.575 COc1cc(ccc1C)COCF 34a_100000752651_100015361967 [0,0,0,0,0,0|3,0,1]=4 121 B13R1.575 COc1cc(ccc1C)COCF 7a_100000752651_100015361967 [0,0,0,0,0,0|3,0,1]=4 122 B13R1.575 COc1cc(ccc1C)NCCF 2230a_100011279678_100011217306 [0,0,0,0,0,0|3,0,1]=4 123 B13R1.575 COc1cc(ccc1C)NCCF 34a_100011279678_100011217306 [0,0,0,0,0,0|3,0,1]=4 124 B13R1.575 COc1cc(ccc1C)NCCO 2230a_100011279678_100000211926 [0,0,0,0,0,0|2,0,1]=3 125 B13R1.575 COc1cc(ccc1C)NCCO 34a_100000057592_200000210301 [0,0,0,0,0,0|2,0,1]=3 126 B13R1.575 COc1cc(ccc1C)NCCO 34a_100011279678_100000211926 [0,0,0,0,0,0|2,0,1]=3 127 B13R1.575 COc1cc(ccc1C)NCCO 7a_100000057592_200000210301 [0,0,0,0,0,0|2,0,1]=3 128 B13R1.575 COc1cc(ccc1C)OCCF 34a_100009865632_100011217306 [0,0,0,0,0,0|3,0,1]=4 129 B13R1.575 COc1cc(ccc1C)OCCF 7a_100009865632_100011217306 [0,0,0,0,0,0|3,0,1]=4 130 B13R1.575 COc1cc(ccc1C)OCCO 34a_100009865632_100000211926 [0,0,0,0,0,0|2,0,1]=3 131 B13R1.575 COc1cc(ccc1C)OCCO 7a_100009865632_100000211926 [0,0,0,0,0,0|2,0,1]=3 132 B13R1.575 COc1cc(ccc1C)SCCF 62a_100011217306_100011830276 [0,0,0,0,0,0|3,0,1]=4 133 B13R1.575 COc1cc(ccc1C)SCCF 62a_100011830276_100011217306 [0,0,0,0,0,0|3,0,1]=4 134 B13R1.575 COc1cc(ccc1C)SCCO 62a_100000211926_100011830276 [0,0,0,0,0,0|2,0,1]=3 135 B13R1.575 COc1cc(ccc1C)SCCO 62a_100011830276_100000211926 [0,0,0,0,0,0|2,0,1]=3 136 B13R1.575 COc1cc(ccc1Cl)CNCF 34a_100015204853_100015361967 [0,0,0,0,0,0|3,0,1]=4 137 B13R1.575 COc1cc(ccc1Cl)COCF 34a_100012179228_100015361967 [0,0,0,0,0,0|3,0,1]=4 138 B13R1.575 COc1cc(ccc1Cl)CSCF 62a_100015361967_200010214485 [0,0,0,0,0,0|3,0,1]=4 139 B13R1.575 COc1cc(ccc1Cl)CSCF 62a_200010214485_100015361967 [0,0,0,0,0,0|3,0,1]=4 140 B13R1.575 COc1cc(ccc1Cl)NCCF 2230a_100000742311_100011217306 [0,0,0,0,0,0|3,0,1]=4 141 B13R1.575 COc1cc(ccc1Cl)NCCF 34a_100000742311_100011217306 [0,0,0,0,0,0|3,0,1]=4 142 B13R1.575 COc1cc(ccc1Cl)NCCO 2230a_100000742311_100000211926 [0,0,0,0,0,0|2,0,1]=3 143 B13R1.575 COc1cc(ccc1Cl)NCCO 34a_100000742311_100000211926 [0,0,0,0,0,0|2,0,1]=3 144 B13R1.575 COc1cc(ccc1Cl)OCCF 34a_100012186310_100011217306 [0,0,0,0,0,0|3,0,1]=4 145 B13R1.575 COc1cc(ccc1Cl)OCCF 7a_100012186310_100011217306 [0,0,0,0,0,0|3,0,1]=4 146 B13R1.575 COc1cc(ccc1Cl)OCCO 34a_100012186310_100000211926 [0,0,0,0,0,0|2,0,1]=3 147 B13R1.575 COc1cc(ccc1Cl)OCCO 7a_100012186310_100000211926 [0,0,0,0,0,0|2,0,1]=3 148 B13R1.575 COc1cc(ccc1Cl)SCCF 62a_100011217306_100011356853 [0,0,0,0,0,0|3,0,1]=4 149 B13R1.575 COc1cc(ccc1Cl)SCCF 62a_100011356853_100011217306 [0,0,0,0,0,0|3,0,1]=4 150 B13R1.575 COc1cc(ccc1Cl)SCCO 62a_100000211926_100011356853 [0,0,0,0,0,0|2,0,1]=3 151 B13R1.575 COc1cc(ccc1Cl)SCCO 62a_100011356853_100000211926 [0,0,0,0,0,0|2,0,1]=3 152 B13R1.575 COc1cc(ccc1F)CNCF 34a_100020626639_100015361967 [0,0,0,0,0,0|3,0,1]=4 153 B13R1.575 COc1cc(ccc1F)COCF 34a_100000692429_100015361967 [0,0,0,0,0,0|3,0,1]=4 154 B13R1.575 COc1cc(ccc1F)COCF 7a_100000692429_100015361967 [0,0,0,0,0,0|3,0,1]=4 155 B13R1.575 COc1cc(ccc1F)CSCF 62a_100012349856_100015361967 [0,0,0,0,0,0|3,0,1]=4 156 B13R1.575 COc1cc(ccc1F)CSCF 62a_100015361967_100012349856 [0,0,0,0,0,0|3,0,1]=4 157 B13R1.575 COc1cc(ccc1F)NCCF 2230a_100000701188_100011217306 [0,0,0,0,0,0|3,0,1]=4 158 B13R1.575 COc1cc(ccc1F)NCCF 34a_100000701188_100011217306 [0,0,0,0,0,0|3,0,1]=4 159 B13R1.575 COc1cc(ccc1F)NCCO 2230a_100000701188_100000211926 [0,0,0,0,0,0|2,0,1]=3 160 B13R1.575 COc1cc(ccc1F)NCCO 34a_100000701188_100000211926 [0,0,0,0,0,0|2,0,1]=3 161 B13R1.575 COc1cc(ccc1F)OCCF 34a_100012001760_100011217306 [0,0,0,0,0,0|3,0,1]=4 162 B13R1.575 COc1cc(ccc1F)OCCF 7a_100012001760_100011217306 [0,0,0,0,0,0|3,0,1]=4 163 B13R1.575 COc1cc(ccc1F)OCCO 34a_100012001760_100000211926 [0,0,0,0,0,0|2,0,1]=3 164 B13R1.575 COc1cc(ccc1F)OCCO 7a_100012001760_100000211926 [0,0,0,0,0,0|2,0,1]=3 165 B13R1.575 COc1cc(ccc1F)SCCF 62a_100011217306_100011934186 [0,0,0,0,0,0|3,0,1]=4 166 B13R1.575 COc1cc(ccc1F)SCCF 62a_100011934186_100011217306 [0,0,0,0,0,0|3,0,1]=4 167 B13R1.575 COc1cc(ccc1F)SCCO 62a_100000211926_100011934186 [0,0,0,0,0,0|2,0,1]=3 168 B13R1.575 COc1cc(ccc1F)SCCO 62a_100011934186_100000211926 [0,0,0,0,0,0|2,0,1]=3 169 B13R1.575 COc1cc(ccc1I)NCCF 34a_100000746945_100011217306 [0,0,0,0,0,0|3,0,1]=4 170 B13R1.575 COc1cc(ccc1I)NCCO 34a_100000746945_100000211926 [0,0,0,0,0,0|2,0,1]=3 171 B13R1.575 COc1cc(ccc1N)COCF 34a_100000087641_100015361967 [0,0,0,0,0,0|3,0,1]=4 172 B13R1.575 COc1cc(ccc1N)OCCF 34a_100015326901_100011217306 [0,0,0,0,0,0|3,0,1]=4 173 B13R1.575 COc1cc(ccc1N)OCCF 7a_100015326901_100011217306 [0,0,0,0,0,0|3,0,1]=4 174 B13R1.575 COc1cc(ccc1N)OCCO 34a_100015326901_100000211926 [0,0,0,0,0,0|2,0,1]=3 175 B13R1.575 COc1cc(ccc1N)OCCO 7a_100015326901_100000211926 [0,0,0,0,0,0|2,0,1]=3 176 B13R1.575 COc1cc(ccc1N)SCCF 62a_100011217306_100015196925 [0,0,0,0,0,0|3,0,1]=4 177 B13R1.575 COc1cc(ccc1N)SCCF 62a_100011279103_100011217306 [0,0,0,0,0,0|3,0,1]=4 178 B13R1.575 COc1cc(ccc1N)SCCO 62a_100000211926_100015196925 [0,0,0,0,0,0|2,0,1]=3 179 B13R1.575 COc1cc(ccc1N)SCCO 62a_100011279103_100000211926 [0,0,0,0,0,0|2,0,1]=3 180 B13R1.575 COc1cc(ccc1O)CCN[13CH3] 34a_100000756042_200025704644 [0,0,0,0,0,0|2,0,2]=4 181 B13R1.575 COc1cc(ccc1O)CCSC 62a_200000210301_100010741665 [0,0,0,0,0,0|2,0,2]=4 182 B13R1.575 COc1cc(ccc1O)CCS[13CH3] 62a_200025704644_100010741665 [0,0,0,0,0,0|2,0,2]=4 183 B13R1.575 COc1cc(ccc1O)CNCF 34a_100000185554_100015361967 [0,0,0,0,0,0|2,0,1]=3 184 B13R1.575 COc1cc(ccc1O)NCC=O 34a_100000726020_200009817547 [0,0,0,0,0,0|1,0,3]=4 185 B13R1.575 COc1cc(ccc1O)NCCF 34a_100000726020_100011217306 [0,0,0,0,0,0|2,0,1]=3 186 B13R1.575 COc1cc(ccc1O)NCCO 34a_100000726020_100000211926 [0,0,0,0,0,0|1,0,1]=2 187 B13R1.575 COc1cc(ccc1O)NCSC 34a_100000726020_100011218213 [0,0,0,0,0,0|3,0,1]=4 188 B13R1.575 COc1cc(ccc1O)SCC#N 62a_100011215382_100000694246 [0,0,0,0,0,0|2,0,2]=4 189 B13R1.575 COc1cc(ccc1O)SCC=O 62a_200015260668_100000694246 [0,0,0,0,0,0|1,0,3]=4 190 B13R1.575 COc1cc(ccc1O)SCCF 62a_100011217306_100000694246 [0,0,0,0,0,0|2,0,1]=3 191 B13R1.575 COc1cc(ccc1O)SCCO 62a_100000211926_100000694246 [0,0,0,0,0,0|1,0,1]=2 192 B13R1.575 COc1cc(ccc1O)SCSC 62a_100011218213_100000694246 [0,0,0,0,0,0|3,0,1]=4 193 B13R1.575 COc1cc(cnc1C)SCCO 62a_100000211926_100010254219 [0,0,0,0,0,0|3,0,1]=4 194 B13R1.575 COc1cc(cnc1C)SCCO 62a_100010254219_100000211926 [0,0,0,0,0,0|3,0,1]=4 195 B13R1.575 COc1cc(cnc1F)SCCO 62a_100000211926_100010214931 [0,0,0,0,0,0|3,0,1]=4 196 B13R1.575 COc1cc(cnc1F)SCCO 62a_100010214931_100000211926 [0,0,0,0,0,0|3,0,1]=4 197 B13R1.575 COc1cc(cnc1N)SCCO 62a_100000211926_106354213024 [0,0,0,0,0,0|3,0,1]=4 198 B13R1.575 COc1cc(cnc1N)SCCO 62a_106354213024_100000211926 [0,0,0,0,0,0|3,0,1]=4 199 B13R1.575 COc1cc(ncc1C)SCCO 62a_100000211926_100010067687 [0,0,0,0,0,0|3,0,1]=4 200 B13R1.575 COc1cc(ncc1C)SCCO 62a_100010067687_100000211926 [0,0,0,0,0,0|3,0,1]=4 201 B13R1.575 COc1cc(ncc1F)SCCO 62a_100000211926_200010136270 [0,0,0,0,0,0|3,0,1]=4 202 B13R1.575 COc1cc(ncc1F)SCCO 62a_200010136270_100000211926 [0,0,0,0,0,0|3,0,1]=4 203 B13R1.575 COc1cc(ncc1N)SCCO 62a_100000211926_100009887741 [0,0,0,0,0,0|3,0,1]=4 204 B13R1.575 COc1cc(ncc1N)SCCO 62a_100009887741_100000211926 [0,0,0,0,0,0|3,0,1]=4 205 B13R1.575 COc1nc(ccc1N)SCCO 62a_100000211926_100000687816 [0,0,0,0,0,0|3,0,1]=4 206 B13R1.575 COc1nc(ccc1N)SCCO 62a_100000687816_100000211926 [0,0,0,0,0,0|3,0,1]=4 207 B13R1.575 COc1nc(ccc1O)SCCF 62a_100011217306_100010893133 [0,0,0,0,0,0|3,0,1]=4 208 B13R1.575 COc1nc(ccc1O)SCCO 62a_100000211926_100010893133 [0,0,0,0,0,0|2,0,1]=3 209 B13R1.575 COc1nc(cnc1O)SCCO 62a_100000211926_200010365344 [0,0,0,0,0,0|3,0,1]=4 210 B13R1.575 COc1nc(cnc1O)SCCO 62a_200010365344_100000211926 [0,0,0,0,0,0|3,0,1]=4 211 B13R1.575 CSc1cc(ccc1C)SCCO 62a_100010989109_200000210301 [0,0,0,0,0,0|2,1,1]=4 212 B13R1.575 CSc1cc(ccc1C)SCCO 62a_200000210301_100010989109 [0,0,0,0,0,0|2,1,1]=4 213 B13R1.575 CSc1cc(ccc1F)SCCO 62a_100000211926_100010341305 [0,0,0,0,0,0|2,1,1]=4 214 B13R1.575 CSc1cc(ccc1F)SCCO 62a_100010341305_100000211926 [0,0,0,0,0,0|2,1,1]=4 215 B13R1.575 Cc1ccc(cc1N[13CH3])OCCO 2230a_100012283766_200025704644 [0,0,0,0,0,0|3,0,1]=4 216 B13R1.575 Cc1ccc(cc1N[13CH3])OCCO 34a_100012283766_200025704644 [0,0,0,0,0,0|3,0,1]=4 217 B13R1.575 Cc1ccc(cc1N[13CH3])OCCO 7a_100012283766_200025704644 [0,0,0,0,0,0|3,0,1]=4 218 B13R1.575 Cc1ccc(cc1O[13CH3])NCCO 34a_100000057592_200025704644 [0,0,0,0,0,0|2,0,1]=3 219 B13R1.575 Cc1ccc(cc1O[13CH3])NCCO 7a_100000057592_200025704644 [0,0,0,0,0,0|2,0,1]=3 220 B13R1.575 Cc1ccc(cc1S[13CH3])SCCO 62a_100010989109_200025704644 [0,0,0,0,0,0|2,1,1]=4 221 B13R1.575 Cc1ccc(cc1S[13CH3])SCCO 62a_200025704644_100010989109 [0,0,0,0,0,0|2,1,1]=4 222 B13R1.575 N#Cc1cc(ccc1O)NCCO 34a_100011249283_100000211926 [0,0,0,0,0,0|3,0,1]=4 223 B13R1.575 N#Cc1cc(ccc1O)SCCO 62a_100000211926_100000687585 [0,0,0,0,0,0|3,0,1]=4 224 B13R1.575 NCc1cc(ccc1O)SCCO 62a_100000211926_100000730032 [0,0,0,0,0,0|3,0,1]=4 225 B13R1.575 NCc1cc(ccc1O)SCCO 62a_100000730032_100000211926 [0,0,0,0,0,0|3,0,1]=4 226 B13R1.575 O=Cc1cc(ccc1O)SCCO 62a_100000211926_100000186750 [0,0,0,0,0,0|3,0,1]=4 227 B13R1.575 OCCSc1ccc(c(c1)CO)O 62a_100000184703_100000211926 [0,0,0,0,0,0|3,0,1]=4 228 B13R1.575 OCCSc1ccc(c(c1)CO)O 62a_100000211926_100000184703 [0,0,0,0,0,0|3,0,1]=4 229 B12R1.286 C=C=Cc1ccc(c(c1)CC)O 271570a_100015277604_100012338938 [1,0,0,0,0,0|1,0,2]=4 230 B12R1.286 C=C=Cc1ccc(c(c1)OC)Br 271570a_100015277604_100012353699 [1,0,0,0,0,0|1,0,2]=4 231 B12R1.286 C=C=Cc1ccc(c(c1)OC)C 271570a_100015277604_100011830276 [1,0,0,0,0,0|1,0,2]=4 232 B12R1.286 C=C=Cc1ccc(c(c1)OC)Cl 271570a_100015277604_100011356853 [1,0,0,0,0,0|1,0,2]=4 233 B12R1.286 C=C=Cc1ccc(c(c1)OC)F 271570a_100015277604_100011934186 [1,0,0,0,0,0|1,0,2]=4 234 B12R1.286 C=C=Cc1ccc(c(c1)OC)N 271570a_100015277604_100011279103 [1,0,0,0,0,0|1,0,2]=4 235 B12R1.286 C=C=Cc1ccc(c(c1)OC)O 271570a_100015277604_100000694246 [1,0,0,0,0,0|0,0,2]=3 236 B12R1.286 C=C=Cc1ccc(c(n1)OC)O 271570a_100015277604_100010893133 [1,0,0,0,0,0|1,0,2]=4 237 B12R1.286 CC=Cc1c[nH]c(=O)c(c1)OC 271570a_100016259895_100010125397 [1,0,0,0,0,0|1,0,1]=3 238 B12R1.286 CC=Cc1cc(c(cn1)C)OC 271570a_100016259895_100010067687 [1,0,0,0,0,0|2,0,0]=3 239 B12R1.286 CC=Cc1cc(c(cn1)F)OC 271570a_100016259895_200010136270 [1,0,0,0,0,0|2,0,0]=3 240 B12R1.286 CC=Cc1cc(c(cn1)N)OC 271570a_100016259895_100009887741 [1,0,0,0,0,0|2,0,0]=3 241 B12R1.286 CC=Cc1cc(c(nn1)N)OC 271570a_100016259895_100000688033 [1,0,0,0,0,0|3,0,0]=4 242 B12R1.286 CC=Cc1ccc(=O)n(c1)CC 271570a_100016259895_100000231005 [1,0,0,0,0,0|2,0,1]=4 243 B12R1.286 CC=Cc1ccc(c(c1)C#N)Br 271570a_100016259895_100012355174 [1,0,0,0,0,0|3,0,0]=4 244 B12R1.286 CC=Cc1ccc(c(c1)C#N)C 271570a_100016259895_100000698047 [1,0,0,0,0,0|3,0,0]=4 245 B12R1.286 CC=Cc1ccc(c(c1)C#N)Cl 271570a_100016259895_100011356831 [1,0,0,0,0,0|3,0,0]=4 246 B12R1.286 CC=Cc1ccc(c(c1)C#N)F 271570a_100016259895_100000037165 [1,0,0,0,0,0|3,0,0]=4 247 B12R1.286 CC=Cc1ccc(c(c1)C#N)N 271570a_100016259895_100000688460 [1,0,0,0,0,0|3,0,0]=4 248 B12R1.286 CC=Cc1ccc(c(c1)C#N)O 271570a_100016259895_100000687585 [1,0,0,0,0,0|2,0,0]=3 249 B12R1.286 CC=Cc1ccc(c(c1)C=O)Br 271570a_100016259895_100010185652 [1,0,0,0,0,0|3,0,0]=4 250 B12R1.286 CC=Cc1ccc(c(c1)C=O)C 271570a_100016259895_100011361606 [1,0,0,0,0,0|3,0,0]=4 251 B12R1.286 CC=Cc1ccc(c(c1)C=O)Cl 271570a_100016259895_100010254384 [1,0,0,0,0,0|3,0,0]=4 252 B12R1.286 CC=Cc1ccc(c(c1)C=O)F 271570a_100016259895_100000211465 [1,0,0,0,0,0|3,0,0]=4 253 B12R1.286 CC=Cc1ccc(c(c1)C=O)N 271570a_100016259895_100011935258 [1,0,0,0,0,0|3,0,0]=4 254 B12R1.286 CC=Cc1ccc(c(c1)C=O)O 271570a_100016259895_100000186750 [1,0,0,0,0,0|2,0,0]=3 255 B12R1.286 CC=Cc1ccc(c(c1)CC)Br 271570a_100016259895_100010244631 [1,0,0,0,0,0|2,0,0]=3 256 B12R1.286 CC=Cc1ccc(c(c1)CC)F 271570a_100016259895_100010244625 [1,0,0,0,0,0|2,0,0]=3 257 B12R1.286 CC=Cc1ccc(c(c1)CC)N 271570a_100016259895_100000686106 [1,0,0,0,0,0|2,0,0]=3 258 B12R1.286 CC=Cc1ccc(c(c1)CC)O 271570a_100016259895_100012338938 [1,0,0,0,0,0|1,0,0]=2 259 B12R1.286 CC=Cc1ccc(c(c1)CN)F 271570a_100016259895_100009815772 [1,0,0,0,0,0|3,0,0]=4 260 B12R1.286 CC=Cc1ccc(c(c1)CN)N 271570a_100016259895_100012349119 [1,0,0,0,0,0|3,0,0]=4 261 B12R1.286 CC=Cc1ccc(c(c1)CN)O 271570a_100016259895_100000730032 [1,0,0,0,0,0|2,0,0]=3 262 B12R1.286 CC=Cc1ccc(c(c1)CO)Br 271570a_100016259895_100012359683 [1,0,0,0,0,0|3,0,0]=4 263 B12R1.286 CC=Cc1ccc(c(c1)CO)C 271570a_100016259895_100000700630 [1,0,0,0,0,0|3,0,0]=4 264 B12R1.286 CC=Cc1ccc(c(c1)CO)Cl 271570a_100016259895_100010128486 [1,0,0,0,0,0|3,0,0]=4 265 B12R1.286 CC=Cc1ccc(c(c1)CO)F 271570a_100016259895_100000049604 [1,0,0,0,0,0|3,0,0]=4 266 B12R1.286 CC=Cc1ccc(c(c1)CO)N 271570a_100016259895_100012353972 [1,0,0,0,0,0|3,0,0]=4 267 B12R1.286 CC=Cc1ccc(c(c1)CO)O 271570a_100016259895_100000184703 [1,0,0,0,0,0|2,0,0]=3 268 B12R1.286 CC=Cc1ccc(c(c1)NC)C 271570a_100016259895_100020629602 [1,0,0,0,0,0|2,0,0]=3 269 B12R1.286 CC=Cc1ccc(c(c1)NC)F 271570a_100016259895_100011314990 [1,0,0,0,0,0|2,0,0]=3 270 B12R1.286 CC=Cc1ccc(c(c1)NC)N 271570a_100016259895_100000694363 [1,0,0,0,0,0|2,0,0]=3 271 B12R1.286 CC=Cc1ccc(c(c1)NN)F 271570a_100016259895_100020610843 [1,0,0,0,0,0|3,0,0]=4 272 B12R1.286 CC=Cc1ccc(c(c1)OC)Br 271570a_100016259895_100012353699 [1,0,0,0,0,0|1,0,0]=2 273 B12R1.286 CC=Cc1ccc(c(c1)OC)C 271570a_100016259895_100011830276 [1,0,0,0,0,0|1,0,0]=2 274 B12R1.286 CC=Cc1ccc(c(c1)OC)Cl 271570a_100016259895_100011356853 [1,0,0,0,0,0|1,0,0]=2 275 B12R1.286 CC=Cc1ccc(c(c1)OC)F 271570a_100016259895_100011934186 [1,0,0,0,0,0|1,0,0]=2 276 B12R1.286 CC=Cc1ccc(c(c1)OC)N 271570a_100016259895_100011279103 [1,0,0,0,0,0|1,0,0]=2 277 B12R1.286 CC=Cc1ccc(c(c1)OC)O 271570a_100016259895_100000694246 [1,0,0,0,0,0|0,0,0]=1 278 B12R1.286 CC=Cc1ccc(c(c1)SC)F 271570a_100016259895_100010341305 [1,0,0,0,0,0|1,1,0]=3 279 B12R1.286 CC=Cc1ccc(c(n1)CC)N 271570a_100016259895_100009871203 [1,0,0,0,0,0|3,0,0]=4 280 B12R1.286 CC=Cc1ccc(c(n1)OC)N 271570a_100016259895_100000687816 [1,0,0,0,0,0|2,0,0]=3 281 B12R1.286 CC=Cc1ccc(c(n1)OC)O 271570a_100016259895_100010893133 [1,0,0,0,0,0|1,0,0]=2 282 B12R1.286 CC=Cc1cnc(c(c1)C#N)O 271570a_100016259895_100000697733 [1,0,0,0,0,0|3,0,0]=4 283 B12R1.286 CC=Cc1cnc(c(c1)CO)O 271570a_100016259895_100010065268 [1,0,0,0,0,0|3,0,0]=4 284 B12R1.286 CC=Cc1cnc(c(c1)NC)N 271570a_100016259895_100010506235 [1,0,0,0,0,0|3,0,0]=4 285 B12R1.286 CC=Cc1cnc(c(c1)OC)C 271570a_100016259895_100010254219 [1,0,0,0,0,0|2,0,0]=3 286 B12R1.286 CC=Cc1cnc(c(c1)OC)F 271570a_100016259895_100010214931 [1,0,0,0,0,0|2,0,0]=3 287 B12R1.286 CC=Cc1cnc(c(c1)OC)N 271570a_100016259895_106354213024 [1,0,0,0,0,0|2,0,0]=3 288 B12R1.286 CC=Cc1cnc(c(n1)OC)N 271570a_100016259895_100009816943 [1,0,0,0,0,0|3,0,0]=4 289 B12R1.286 CC=Cc1cnc(c(n1)OC)O 271570a_100016259895_200010365344 [1,0,0,0,0,0|2,0,0]=3 290 B12R1.286 CC=Cc1ncc(c(n1)OC)C 271570a_100016259895_100012500371 [1,0,0,0,0,0|3,0,0]=4 291 B12R1.286 CC=Cc1ncc(c(n1)OC)F 271570a_100016259895_100012183945 [1,0,0,0,0,0|3,0,0]=4 292 B12R1.286 CC=Cc1ncc(c(n1)OC)N 271570a_100016259895_100012122185 [1,0,0,0,0,0|3,0,0]=4 293 B12R1.286 CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210202 [1,0,0,0,0,0|2,0,1]=4 294 B12R1.286 CCNc1ccc(c(c1)OC)Br 34a_100000765947_100000210202 [1,0,0,0,0,0|2,0,1]=4 295 B12R1.286 CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210202 [1,0,0,0,0,0|2,0,1]=4 296 B12R1.286 CCNc1ccc(c(c1)OC)C 34a_100011279678_100000210202 [1,0,0,0,0,0|2,0,1]=4 297 B12R1.286 CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210202 [1,0,0,0,0,0|2,0,1]=4 298 B12R1.286 CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000210202 [1,0,0,0,0,0|2,0,1]=4 299 B12R1.286 CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210202 [1,0,0,0,0,0|2,0,1]=4 300 B12R1.286 CCNc1ccc(c(c1)OC)F 34a_100000701188_100000210202 [1,0,0,0,0,0|2,0,1]=4 301 B12R1.286 CCNc1ccc(c(c1)OC)I 34a_100000746945_100000210202 [1,0,0,0,0,0|2,0,1]=4 302 B12R1.286 CCNc1ccc(c(c1)OC)O 34a_100000726020_100000210202 [1,0,0,0,0,0|1,0,1]=3 303 B12R1.286 CCOc1ccc(c(c1)OC)Br 34a_100011827694_100000210202 [1,0,0,0,0,0|2,0,1]=4 304 B12R1.286 CCOc1ccc(c(c1)OC)Br 7a_100011827694_100000210202 [1,0,0,0,0,0|2,0,1]=4 305 B12R1.286 CCOc1ccc(c(c1)OC)C 34a_100009865632_100000210202 [1,0,0,0,0,0|2,0,1]=4 306 B12R1.286 CCOc1ccc(c(c1)OC)C 7a_100009865632_100000210202 [1,0,0,0,0,0|2,0,1]=4 307 B12R1.286 CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000210202 [1,0,0,0,0,0|2,0,1]=4 308 B12R1.286 CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000210202 [1,0,0,0,0,0|2,0,1]=4 309 B12R1.286 CCOc1ccc(c(c1)OC)F 34a_100012001760_100000210202 [1,0,0,0,0,0|2,0,1]=4 310 B12R1.286 CCOc1ccc(c(c1)OC)F 7a_100012001760_100000210202 [1,0,0,0,0,0|2,0,1]=4 311 B12R1.286 CCOc1ccc(c(c1)OC)N 34a_100015326901_100000210202 [1,0,0,0,0,0|2,0,1]=4 312 B12R1.286 CCOc1ccc(c(c1)OC)N 7a_100015326901_100000210202 [1,0,0,0,0,0|2,0,1]=4 313 B12R1.286 CCSc1ccc(c(c1)CC)O 62a_100000210202_100012338938 [1,0,0,0,0,0|2,0,1]=4 314 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100000210202_100012353699 [1,0,0,0,0,0|2,0,1]=4 315 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210202 [1,0,0,0,0,0|2,0,1]=4 316 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100000210202_100011830276 [1,0,0,0,0,0|2,0,1]=4 317 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210202 [1,0,0,0,0,0|2,0,1]=4 318 B12R1.286 CCSc1ccc(c(c1)OC)Cl 62a_100000210202_100011356853 [1,0,0,0,0,0|2,0,1]=4 319 B12R1.286 CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210202 [1,0,0,0,0,0|2,0,1]=4 320 B12R1.286 CCSc1ccc(c(c1)OC)F 62a_100000210202_100011934186 [1,0,0,0,0,0|2,0,1]=4 321 B12R1.286 CCSc1ccc(c(c1)OC)F 62a_100011934186_100000210202 [1,0,0,0,0,0|2,0,1]=4 322 B12R1.286 CCSc1ccc(c(c1)OC)N 62a_100000210202_100015196925 [1,0,0,0,0,0|2,0,1]=4 323 B12R1.286 CCSc1ccc(c(c1)OC)N 62a_100011279103_100000210202 [1,0,0,0,0,0|2,0,1]=4 324 B12R1.286 CCSc1ccc(c(c1)OC)O 62a_100000210202_100000694246 [1,0,0,0,0,0|1,0,1]=3 325 B12R1.286 CCSc1ccc(c(n1)OC)O 62a_100000210202_100010893133 [1,0,0,0,0,0|2,0,1]=4 326 B12R1.286 CCc1cc(ccc1O)SCF 62a_100015361967_100012338938 [1,0,0,0,0,0|3,0,0]=4 327 B12R1.286 CNCc1ccc(c(c1)OC)Br 207a_100102657272_100010244714 [1,0,0,0,0,0|2,0,1]=4 328 B12R1.286 CNCc1ccc(c(c1)OC)Br 2230a_106832991635_100010110085 [1,0,0,0,0,0|2,0,1]=4 329 B12R1.286 CNCc1ccc(c(c1)OC)Br 26a_100102657272_100011827694 [1,0,0,0,0,0|2,0,1]=4 330 B12R1.286 CNCc1ccc(c(c1)OC)Br 270004a_106832991635_100010244714 [1,0,0,0,0,0|2,0,1]=4 331 B12R1.286 CNCc1ccc(c(c1)OC)Br 34a_100102657272_100010110085 [1,0,0,0,0,0|2,0,1]=4 332 B12R1.286 CNCc1ccc(c(c1)OC)Br 7a_106832991635_100010110085 [1,0,0,0,0,0|2,0,1]=4 333 B12R1.286 CNCc1ccc(c(c1)OC)C 207a_100102657272_100000719150 [1,0,0,0,0,0|2,0,1]=4 334 B12R1.286 CNCc1ccc(c(c1)OC)C 270004a_106832991635_100000719150 [1,0,0,0,0,0|2,0,1]=4 335 B12R1.286 CNCc1ccc(c(c1)OC)Cl 207a_100102657272_100011998524 [1,0,0,0,0,0|2,0,1]=4 336 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_100015204853_200000210301 [1,0,0,0,0,0|2,0,1]=4 337 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_106832991635_200010214485 [1,0,0,0,0,0|2,0,1]=4 338 B12R1.286 CNCc1ccc(c(c1)OC)Cl 26a_100102657272_100012186310 [1,0,0,0,0,0|2,0,1]=4 339 B12R1.286 CNCc1ccc(c(c1)OC)Cl 270004a_106832991635_100011998524 [1,0,0,0,0,0|2,0,1]=4 340 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100015204853_200000210301 [1,0,0,0,0,0|2,0,1]=4 341 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100102657272_200010214485 [1,0,0,0,0,0|2,0,1]=4 342 B12R1.286 CNCc1ccc(c(c1)OC)Cl 7a_106832991635_200010214485 [1,0,0,0,0,0|2,0,1]=4 343 B12R1.286 CNCc1ccc(c(c1)OC)F 207a_100102657272_100000692873 [1,0,0,0,0,0|2,0,1]=4 344 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_100020626639_200000210301 [1,0,0,0,0,0|2,0,1]=4 345 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_106832991635_100012349856 [1,0,0,0,0,0|2,0,1]=4 346 B12R1.286 CNCc1ccc(c(c1)OC)F 270004a_106832991635_100000692873 [1,0,0,0,0,0|2,0,1]=4 347 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100020626639_200000210301 [1,0,0,0,0,0|2,0,1]=4 348 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100102657272_100012349856 [1,0,0,0,0,0|2,0,1]=4 349 B12R1.286 CNCc1ccc(c(c1)OC)F 7a_106832991635_100012349856 [1,0,0,0,0,0|2,0,1]=4 350 B12R1.286 CNCc1ccc(c(c1)OC)O 34a_100000185554_200000210301 [1,0,0,0,0,0|1,0,1]=3 351 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100010234685_200000210301 [1,0,0,0,0,0|2,0,1]=4 352 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100138415774_100010110085 [1,0,0,0,0,0|2,0,1]=4 353 B12R1.286 COCc1ccc(c(c1)OC)Br 7a_100010234685_200000210301 [1,0,0,0,0,0|2,0,1]=4 354 B12R1.286 COCc1ccc(c(c1)OC)C 34a_100000752651_200000210301 [1,0,0,0,0,0|2,0,1]=4 355 B12R1.286 COCc1ccc(c(c1)OC)C 7a_100000752651_200000210301 [1,0,0,0,0,0|2,0,1]=4 356 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100012179228_200000210301 [1,0,0,0,0,0|2,0,1]=4 357 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100138415774_200010214485 [1,0,0,0,0,0|2,0,1]=4 358 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100000692429_200000210301 [1,0,0,0,0,0|2,0,1]=4 359 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100138415774_100012349856 [1,0,0,0,0,0|2,0,1]=4 360 B12R1.286 COCc1ccc(c(c1)OC)F 7a_100000692429_200000210301 [1,0,0,0,0,0|2,0,1]=4 361 B12R1.286 COCc1ccc(c(c1)OC)N 34a_100000087641_200000210301 [1,0,0,0,0,0|2,0,1]=4 362 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 34a_100010234685_200025704644 [1,0,0,0,0,0|2,0,1]=4 363 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 7a_100010234685_200025704644 [1,0,0,0,0,0|2,0,1]=4 364 B12R1.286 COc1cc(ccc1Br)CSC 62a_100010110085_200000210301 [1,0,0,0,0,0|2,0,1]=4 365 B12R1.286 COc1cc(ccc1Br)CSC 62a_200000210301_100010110085 [1,0,0,0,0,0|2,0,1]=4 366 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_100010110085_200025704644 [1,0,0,0,0,0|2,0,1]=4 367 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100010110085 [1,0,0,0,0,0|2,0,1]=4 368 B12R1.286 COc1cc(ccc1Br)NCF 34a_100000765947_100015361967 [1,0,0,0,0,0|3,0,0]=4 369 B12R1.286 COc1cc(ccc1Br)OCF 34a_100011827694_100015361967 [1,0,0,0,0,0|3,0,0]=4 370 B12R1.286 COc1cc(ccc1Br)OCF 7a_100011827694_100015361967 [1,0,0,0,0,0|3,0,0]=4 371 B12R1.286 COc1cc(ccc1Br)SCF 62a_100012353699_100015361967 [1,0,0,0,0,0|3,0,0]=4 372 B12R1.286 COc1cc(ccc1Br)SCF 62a_100015361967_100012353699 [1,0,0,0,0,0|3,0,0]=4 373 B12R1.286 COc1cc(ccc1C)CO[13CH3] 34a_100000752651_200025704644 [1,0,0,0,0,0|2,0,1]=4 374 B12R1.286 COc1cc(ccc1C)CO[13CH3] 7a_100000752651_200025704644 [1,0,0,0,0,0|2,0,1]=4 375 B12R1.286 COc1cc(ccc1C)NCF 34a_100011279678_100015361967 [1,0,0,0,0,0|3,0,0]=4 376 B12R1.286 COc1cc(ccc1C)OCF 34a_100009865632_100015361967 [1,0,0,0,0,0|3,0,0]=4 377 B12R1.286 COc1cc(ccc1C)OCF 7a_100009865632_100015361967 [1,0,0,0,0,0|3,0,0]=4 378 B12R1.286 COc1cc(ccc1C)SCF 62a_100011830276_100015361967 [1,0,0,0,0,0|3,0,0]=4 379 B12R1.286 COc1cc(ccc1C)SCF 62a_100015361967_100011830276 [1,0,0,0,0,0|3,0,0]=4 380 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 2230a_100015204853_200025704644 [1,0,0,0,0,0|2,0,1]=4 381 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 34a_100015204853_200025704644 [1,0,0,0,0,0|2,0,1]=4 382 B12R1.286 COc1cc(ccc1Cl)CO[13CH3] 34a_100012179228_200025704644 [1,0,0,0,0,0|2,0,1]=4 383 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200000210301_200010214485 [1,0,0,0,0,0|2,0,1]=4 384 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200010214485_200000210301 [1,0,0,0,0,0|2,0,1]=4 385 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200010214485_200025704644 [1,0,0,0,0,0|2,0,1]=4 386 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_200010214485 [1,0,0,0,0,0|2,0,1]=4 387 B12R1.286 COc1cc(ccc1Cl)NCF 34a_100000742311_100015361967 [1,0,0,0,0,0|3,0,0]=4 388 B12R1.286 COc1cc(ccc1Cl)OCF 34a_100012186310_100015361967 [1,0,0,0,0,0|3,0,0]=4 389 B12R1.286 COc1cc(ccc1Cl)OCF 7a_100012186310_100015361967 [1,0,0,0,0,0|3,0,0]=4 390 B12R1.286 COc1cc(ccc1Cl)SCF 62a_100011356853_100015361967 [1,0,0,0,0,0|3,0,0]=4 391 B12R1.286 COc1cc(ccc1Cl)SCF 62a_100015361967_100011356853 [1,0,0,0,0,0|3,0,0]=4 392 B12R1.286 COc1cc(ccc1F)CN[13CH3] 2230a_100020626639_200025704644 [1,0,0,0,0,0|2,0,1]=4 393 B12R1.286 COc1cc(ccc1F)CN[13CH3] 34a_100020626639_200025704644 [1,0,0,0,0,0|2,0,1]=4 394 B12R1.286 COc1cc(ccc1F)CO[13CH3] 34a_100000692429_200025704644 [1,0,0,0,0,0|2,0,1]=4 395 B12R1.286 COc1cc(ccc1F)CO[13CH3] 7a_100000692429_200025704644 [1,0,0,0,0,0|2,0,1]=4 396 B12R1.286 COc1cc(ccc1F)CSC 62a_100012349856_200000210301 [1,0,0,0,0,0|2,0,1]=4 397 B12R1.286 COc1cc(ccc1F)CSC 62a_200000210301_100012349856 [1,0,0,0,0,0|2,0,1]=4 398 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_100012349856_200025704644 [1,0,0,0,0,0|2,0,1]=4 399 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_200025704644_100012349856 [1,0,0,0,0,0|2,0,1]=4 400 B12R1.286 COc1cc(ccc1F)NCF 34a_100000701188_100015361967 [1,0,0,0,0,0|3,0,0]=4 401 B12R1.286 COc1cc(ccc1F)OCF 34a_100012001760_100015361967 [1,0,0,0,0,0|3,0,0]=4 402 B12R1.286 COc1cc(ccc1F)OCF 7a_100012001760_100015361967 [1,0,0,0,0,0|3,0,0]=4 403 B12R1.286 COc1cc(ccc1F)SCF 62a_100011934186_100015361967 [1,0,0,0,0,0|3,0,0]=4 404 B12R1.286 COc1cc(ccc1F)SCF 62a_100015361967_100011934186 [1,0,0,0,0,0|3,0,0]=4 405 B12R1.286 COc1cc(ccc1I)NCF 34a_100000746945_100015361967 [1,0,0,0,0,0|3,0,0]=4 406 B12R1.286 COc1cc(ccc1N)CO[13CH3] 34a_100000087641_200025704644 [1,0,0,0,0,0|2,0,1]=4 407 B12R1.286 COc1cc(ccc1N)OCF 34a_100015326901_100015361967 [1,0,0,0,0,0|3,0,0]=4 408 B12R1.286 COc1cc(ccc1N)OCF 7a_100015326901_100015361967 [1,0,0,0,0,0|3,0,0]=4 409 B12R1.286 COc1cc(ccc1N)SCF 62a_100011279103_100015361967 [1,0,0,0,0,0|3,0,0]=4 410 B12R1.286 COc1cc(ccc1N)SCF 62a_100015361967_100015196925 [1,0,0,0,0,0|3,0,0]=4 411 B12R1.286 COc1cc(ccc1O)CC#N 271570a_203496583355_100010176002 [1,0,0,0,0,0|1,0,2]=4 412 B12R1.286 COc1cc(ccc1O)CN[13CH3] 34a_100000185554_200025704644 [1,0,0,0,0,0|1,0,1]=3 413 B12R1.286 COc1cc(ccc1O)NCF 34a_100000726020_100015361967 [1,0,0,0,0,0|2,0,0]=3 414 B12R1.286 COc1cc(ccc1O)SCF 62a_100015361967_100000694246 [1,0,0,0,0,0|2,0,0]=3 415 B12R1.286 COc1nc(ccc1O)SCF 62a_100015361967_100010893133 [1,0,0,0,0,0|3,0,0]=4 416 B12R1.382 CCCCc1cccc(c1)OC 271570a_100020621405_100000170001 [1,0,0,0,0,0|1,0,2]=4 417 B12R1.382 CCCNc1cccc(c1)OC 34a_100000210024_100000210303 [1,0,0,0,0,0|2,0,1]=4 418 B12R1.382 CCCOc1cccc(c1)OC 34a_100000211255_100000210303 [1,0,0,0,0,0|2,0,1]=4 419 B12R1.382 CCCOc1cccc(c1)OC 34a_100000748497_200000210301 [1,0,0,0,0,0|2,0,1]=4 420 B12R1.382 CCCOc1cccc(c1)OC 7a_100000211255_100000210303 [1,0,0,0,0,0|2,0,1]=4 421 B12R1.382 CCCOc1cccc(c1)OC 7a_100000748497_200000210301 [1,0,0,0,0,0|2,0,1]=4 422 B12R1.382 CCCOc1cccc(c1)O[13CH3] 34a_100000748497_200025704644 [1,0,0,0,0,0|2,0,1]=4 423 B12R1.382 CCCOc1cccc(c1)O[13CH3] 7a_100000748497_200025704644 [1,0,0,0,0,0|2,0,1]=4 424 B12R1.382 CCCSc1cccc(c1)OC 62a_100000210303_100000170001 [1,0,0,0,0,0|2,0,1]=4 425 B12R1.382 CCNCc1cccc(c1)OC 207a_100015525214_100000170238 [1,0,0,0,0,0|2,0,1]=4 426 B12R1.382 CCNCc1cccc(c1)OC 2230a_100000174954_100000210202 [1,0,0,0,0,0|2,0,1]=4 427 B12R1.382 CCNCc1cccc(c1)OC 2230a_100015525214_100000211672 [1,0,0,0,0,0|2,0,1]=4 428 B12R1.382 CCNCc1cccc(c1)OC 270004a_100015525214_100000170238 [1,0,0,0,0,0|2,0,1]=4 429 B12R1.382 CCNCc1cccc(c1)OC 34a_100000174954_100000210202 [1,0,0,0,0,0|2,0,1]=4 430 B12R1.382 CCNCc1cccc(c1)OC 34a_100000201218_200000210301 [1,0,0,0,0,0|2,0,1]=4 431 B12R1.382 CCNCc1cccc(c1)O[13CH3] 34a_100000201218_200025704644 [1,0,0,0,0,0|2,0,1]=4 432 B12R1.382 CCOCc1cccc(c1)OC 34a_100000198976_100000210202 [1,0,0,0,0,0|2,0,1]=4 433 B12R1.382 CCOCc1cccc(c1)OC 34a_100121572206_100000688526 [1,0,0,0,0,0|2,0,1]=4 434 B12R1.382 CCSCc1cccc(c1)OC 62a_100000210202_100000211672 [1,0,0,0,0,0|2,0,1]=4 435 B12R1.382 CCSCc1cccc(c1)OC 62a_100000688526_100000210202 [1,0,0,0,0,0|2,0,1]=4 436 B12R1.382 CCc1cccc(c1)NCCO 2230a_100000211250_100000211926 [1,0,0,0,0,0|2,0,1]=4 437 B12R1.382 CCc1cccc(c1)NCCO 34a_100000211250_100000211926 [1,0,0,0,0,0|2,0,1]=4 438 B12R1.382 CCc1cccc(c1)NCCO 7a_100000211250_100000211926 [1,0,0,0,0,0|2,0,1]=4 439 B12R1.382 CCc1cccc(c1)OCCO 34a_100000211550_100000211926 [1,0,0,0,0,0|2,0,1]=4 440 B12R1.382 CCc1cccc(c1)OCCO 7a_100000211550_100000211926 [1,0,0,0,0,0|2,0,1]=4 441 B12R1.382 CCc1cccc(c1)SCCO 62a_100000211926_100011263222 [1,0,0,0,0,0|2,0,1]=4 442 B12R1.382 CCc1cccc(c1)SCCO 62a_100011263222_100000211926 [1,0,0,0,0,0|2,0,1]=4 443 B12R1.382 CNc1cccc(c1)CCCO 2230a_200000698965_200000210301 [1,0,0,0,0,0|1,0,2]=4 444 B12R1.382 CNc1cccc(c1)CCCO 34a_200000698965_200000210301 [1,0,0,0,0,0|1,0,2]=4 445 B12R1.382 CNc1cccc(c1)CCCO 7a_200000698965_200000210301 [1,0,0,0,0,0|1,0,2]=4 446 B12R1.382 CNc1cccc(c1)OCCO 2230a_100011232151_200000210301 [1,0,0,0,0,0|2,0,1]=4 447 B12R1.382 CNc1cccc(c1)OCCO 34a_100000756613_100000211926 [1,0,0,0,0,0|2,0,1]=4 448 B12R1.382 CNc1cccc(c1)OCCO 34a_100011232151_200000210301 [1,0,0,0,0,0|2,0,1]=4 449 B12R1.382 CNc1cccc(c1)OCCO 7a_100000756613_100000211926 [1,0,0,0,0,0|2,0,1]=4 450 B12R1.382 CNc1cccc(c1)SCCO 62a_100000211926_100000219648 [1,0,0,0,0,0|2,0,1]=4 451 B12R1.382 CNc1cccc(c1)SCCO 62a_100000219648_100000211926 [1,0,0,0,0,0|2,0,1]=4 452 B12R1.382 COc1cc(ccn1)OCCO 34a_100012181050_100000211926 [1,0,0,0,0,0|2,0,1]=4 453 B12R1.382 COc1cc(ccn1)SCCO 62a_100000117307_100000211926 [1,0,0,0,0,0|2,0,1]=4 454 B12R1.382 COc1cc(ccn1)SCCO 62a_100000211926_100000117307 [1,0,0,0,0,0|2,0,1]=4 455 B12R1.382 COc1cccc(c1)CCCO 34a_200011999501_200000210301 [1,0,0,0,0,0|0,0,2]=3 456 B12R1.382 COc1cccc(c1)CCCO 7a_200011999501_200000210301 [1,0,0,0,0,0|0,0,2]=3 457 B12R1.382 COc1cccc(c1)CNCF 34a_100000174954_100015361967 [1,0,0,0,0,0|2,0,1]=4 458 B12R1.382 COc1cccc(c1)COCF 34a_100000198976_100015361967 [1,0,0,0,0,0|2,0,1]=4 459 B12R1.382 COc1cccc(c1)CSCF 62a_100000688526_100015361967 [1,0,0,0,0,0|2,0,1]=4 460 B12R1.382 COc1cccc(c1)CSCF 62a_100015361967_100000211672 [1,0,0,0,0,0|2,0,1]=4 461 B12R1.382 COc1cccc(c1)NCCF 34a_100000210024_100011217306 [1,0,0,0,0,0|2,0,1]=4 462 B12R1.382 COc1cccc(c1)NCCO 34a_100000210024_100000211926 [1,0,0,0,0,0|1,0,1]=3 463 B12R1.382 COc1cccc(c1)OCCF 34a_100000211255_100011217306 [1,0,0,0,0,0|2,0,1]=4 464 B12R1.382 COc1cccc(c1)OCCF 7a_100000211255_100011217306 [1,0,0,0,0,0|2,0,1]=4 465 B12R1.382 COc1cccc(c1)OCCO 34a_100000211255_100000211926 [1,0,0,0,0,0|1,0,1]=3 466 B12R1.382 COc1cccc(c1)OCCO 7a_100000211255_100000211926 [1,0,0,0,0,0|1,0,1]=3 467 B12R1.382 COc1cccc(c1)SCCF 62a_100011217306_100000170001 [1,0,0,0,0,0|2,0,1]=4 468 B12R1.382 COc1cccc(c1)SCCO 62a_100000211926_100000170001 [1,0,0,0,0,0|1,0,1]=3 469 B12R1.382 COc1cccc(n1)SCCO 62a_100000211926_100000760917 [1,0,0,0,0,0|2,0,1]=4 470 B12R1.382 COc1cccc(n1)SCCO 62a_100000760917_100000211926 [1,0,0,0,0,0|2,0,1]=4 471 B12R1.382 COc1ccnc(c1)SCCO 62a_100000211926_100011216251 [1,0,0,0,0,0|2,0,1]=4 472 B12R1.382 COc1ccnc(c1)SCCO 62a_100009817693_100000211926 [1,0,0,0,0,0|2,0,1]=4 473 B12R1.382 COc1cncc(c1)OCCO 34a_100000084572_100000211926 [1,0,0,0,0,0|2,0,1]=4 474 B12R1.382 COc1cncc(c1)OCCO 7a_100000084572_100000211926 [1,0,0,0,0,0|2,0,1]=4 475 B12R1.382 COc1cncc(c1)SCCO 62a_100000050176_100000211926 [1,0,0,0,0,0|2,0,1]=4 476 B12R1.382 COc1cncc(c1)SCCO 62a_100000211926_100000050176 [1,0,0,0,0,0|2,0,1]=4 477 B12R1.382 CSc1cccc(c1)C#CCO 62a_100009814051_200000210301 [1,0,0,0,0,0|0,1,2]=4 478 B12R1.382 CSc1cccc(c1)C#CCO 62a_200000210301_100009814051 [1,0,0,0,0,0|0,1,2]=4 479 B12R1.382 CSc1cccc(c1)CCCO 62a_100011709248_200000210301 [1,0,0,0,0,0|0,1,2]=4 480 B12R1.382 CSc1cccc(c1)CCCO 62a_200000210301_100011709248 [1,0,0,0,0,0|0,1,2]=4 481 B12R1.382 CSc1cccc(c1)NCCO 2230a_100000210049_100000211926 [1,0,0,0,0,0|1,1,1]=4 482 B12R1.382 CSc1cccc(c1)NCCO 34a_100000210049_100000211926 [1,0,0,0,0,0|1,1,1]=4 483 B12R1.382 CSc1cccc(c1)OCCO 34a_100011265683_100000211926 [1,0,0,0,0,0|1,1,1]=4 484 B12R1.382 CSc1cccc(c1)OCCO 62a_100000757546_200000210301 [1,0,0,0,0,0|1,1,1]=4 485 B12R1.382 CSc1cccc(c1)OCCO 62a_200000210301_100000757546 [1,0,0,0,0,0|1,1,1]=4 486 B12R1.382 CSc1cccc(c1)OCCO 7a_100011265683_100000211926 [1,0,0,0,0,0|1,1,1]=4 487 B12R1.382 CSc1cccc(c1)SCCO 62a_100000211926_100011215954 [1,0,0,0,0,0|1,1,1]=4 488 B12R1.382 CSc1cccc(c1)SCCO 62a_100011215954_100000211926 [1,0,0,0,0,0|1,1,1]=4 489 B12R1.382 CSc1cccc(c1)SCCO 62a_200000210301_200011756134 [1,0,0,0,0,0|1,1,1]=4 490 B12R1.382 CSc1cccc(c1)SCCO 62a_200011756134_200000210301 [1,0,0,0,0,0|1,1,1]=4 491 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 2230a_200000698965_200025704644 [1,0,0,0,0,0|1,0,2]=4 492 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 34a_200000698965_200025704644 [1,0,0,0,0,0|1,0,2]=4 493 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 7a_200000698965_200025704644 [1,0,0,0,0,0|1,0,2]=4 494 B12R1.382 [13CH3]Nc1cccc(c1)OCCO 2230a_100011232151_200025704644 [1,0,0,0,0,0|2,0,1]=4 495 B12R1.382 [13CH3]Nc1cccc(c1)OCCO 34a_100011232151_200025704644 [1,0,0,0,0,0|2,0,1]=4 496 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 34a_200011999501_200025704644 [1,0,0,0,0,0|0,0,2]=3 497 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 7a_200011999501_200025704644 [1,0,0,0,0,0|0,0,2]=3 498 B12R1.382 [13CH3]Sc1cccc(c1)C#CCO 62a_100009814051_200025704644 [1,0,0,0,0,0|0,1,2]=4 499 B12R1.382 [13CH3]Sc1cccc(c1)C#CCO 62a_200025704644_100009814051 [1,0,0,0,0,0|0,1,2]=4 500 B12R1.382 [13CH3]Sc1cccc(c1)CCCO 62a_100011709248_200025704644 [1,0,0,0,0,0|0,1,2]=4 501 B12R1.382 [13CH3]Sc1cccc(c1)CCCO 62a_200025704644_100011709248 [1,0,0,0,0,0|0,1,2]=4 502 B12R1.382 [13CH3]Sc1cccc(c1)OCCO 62a_100000757546_200025704644 [1,0,0,0,0,0|1,1,1]=4 503 B12R1.382 [13CH3]Sc1cccc(c1)OCCO 62a_200025704644_100000757546 [1,0,0,0,0,0|1,1,1]=4 504 B12R1.382 [13CH3]Sc1cccc(c1)SCCO 62a_200011756134_200025704644 [1,0,0,0,0,0|1,1,1]=4 505 B12R1.382 [13CH3]Sc1cccc(c1)SCCO 62a_200025704644_200011756134 [1,0,0,0,0,0|1,1,1]=4 506 B12R1.385 CCCCc1ccc(c(c1)C)O 271570a_100020621405_100000186361 [1,0,0,0,0,0|1,0,2]=4 507 B12R1.385 CCCCc1ccc(c(c1)O)O 271570a_100020621405_100009813601 [1,0,0,0,0,0|1,0,2]=4 508 B12R1.385 CCCNc1ccc(c(c1)C)O 34a_100011218179_100000210303 [1,0,0,0,0,0|2,0,1]=4 509 B12R1.385 CCCNc1ccc(c(c1)C)O 7a_100011218179_100000210303 [1,0,0,0,0,0|2,0,1]=4 510 B12R1.385 CCCNc1ccc(c(c1)O)O 34a_100102946323_100000210303 [1,0,0,0,0,0|2,0,1]=4 511 B12R1.385 CCCOc1ccc(c(c1)C)O 271570a_203496583355_200012361509 [1,0,0,0,0,0|2,0,1]=4 512 B12R1.385 CCCSc1ccc(c(c1)C)O 62a_100000210303_100000186361 [1,0,0,0,0,0|2,0,1]=4 513 B12R1.385 CCCSc1ccc(c(c1)O)O 62a_100000210303_100009813601 [1,0,0,0,0,0|2,0,1]=4 514 B12R1.385 CCNCc1ccc(c(c1)O)O 34a_100000010075_100000210202 [1,0,0,0,0,0|2,0,1]=4 515 B12R1.385 Cc1cc(ccc1Br)NCCO 2230a_100000210723_100000211926 [1,0,0,0,0,0|2,0,1]=4 516 B12R1.385 Cc1cc(ccc1Br)NCCO 34a_100000210723_100000211926 [1,0,0,0,0,0|2,0,1]=4 517 B12R1.385 Cc1cc(ccc1Br)NCCO 7a_100000210723_100000211926 [1,0,0,0,0,0|2,0,1]=4 518 B12R1.385 Cc1cc(ccc1Br)OCCO 34a_100000690111_100000211926 [1,0,0,0,0,0|2,0,1]=4 519 B12R1.385 Cc1cc(ccc1Br)OCCO 7a_100000690111_100000211926 [1,0,0,0,0,0|2,0,1]=4 520 B12R1.385 Cc1cc(ccc1Br)SCCO 62a_100000211926_100009813585 [1,0,0,0,0,0|2,0,1]=4 521 B12R1.385 Cc1cc(ccc1Br)SCCO 62a_100009813585_100000211926 [1,0,0,0,0,0|2,0,1]=4 522 B12R1.385 Cc1cc(ccc1Cl)NCCO 2230a_100000187808_100000211926 [1,0,0,0,0,0|2,0,1]=4 523 B12R1.385 Cc1cc(ccc1Cl)NCCO 34a_100000187808_100000211926 [1,0,0,0,0,0|2,0,1]=4 524 B12R1.385 Cc1cc(ccc1Cl)NCCO 7a_100000187808_100000211926 [1,0,0,0,0,0|2,0,1]=4 525 B12R1.385 Cc1cc(ccc1Cl)OCCO 34a_100000211092_100000211926 [1,0,0,0,0,0|2,0,1]=4 526 B12R1.385 Cc1cc(ccc1Cl)OCCO 7a_100000211092_100000211926 [1,0,0,0,0,0|2,0,1]=4 527 B12R1.385 Cc1cc(ccc1Cl)SCCO 62a_100000049509_100000211926 [1,0,0,0,0,0|2,0,1]=4 528 B12R1.385 Cc1cc(ccc1Cl)SCCO 62a_100000211926_100000049509 [1,0,0,0,0,0|2,0,1]=4 529 B12R1.385 Cc1cc(ccc1F)NCCO 2230a_100000750164_100000211926 [1,0,0,0,0,0|2,0,1]=4 530 B12R1.385 Cc1cc(ccc1F)NCCO 34a_100000750164_100000211926 [1,0,0,0,0,0|2,0,1]=4 531 B12R1.385 Cc1cc(ccc1F)NCCO 7a_100000750164_100000211926 [1,0,0,0,0,0|2,0,1]=4 532 B12R1.385 Cc1cc(ccc1F)OCCO 34a_100000751312_100000211926 [1,0,0,0,0,0|2,0,1]=4 533 B12R1.385 Cc1cc(ccc1F)OCCO 7a_100000751312_100000211926 [1,0,0,0,0,0|2,0,1]=4 534 B12R1.385 Cc1cc(ccc1F)SCCO 62a_100000211926_100011218330 [1,0,0,0,0,0|2,0,1]=4 535 B12R1.385 Cc1cc(ccc1F)SCCO 62a_100011218330_100000211926 [1,0,0,0,0,0|2,0,1]=4 536 B12R1.385 Cc1cc(ccc1I)NCCO 34a_100000198070_100000211926 [1,0,0,0,0,0|2,0,1]=4 537 B12R1.385 Cc1cc(ccc1I)NCCO 7a_100000198070_100000211926 [1,0,0,0,0,0|2,0,1]=4 538 B12R1.385 Cc1cc(ccc1I)OCCO 34a_100000729255_100000211926 [1,0,0,0,0,0|2,0,1]=4 539 B12R1.385 Cc1cc(ccc1I)OCCO 7a_100000729255_100000211926 [1,0,0,0,0,0|2,0,1]=4 540 B12R1.385 Cc1cc(ccc1N)OCCO 34a_100000756630_100000211926 [1,0,0,0,0,0|2,0,1]=4 541 B12R1.385 Cc1cc(ccc1N)OCCO 7a_100000756630_100000211926 [1,0,0,0,0,0|2,0,1]=4 542 B12R1.385 Cc1cc(ccc1N)SCCO 62a_100000211769_100000211926 [1,0,0,0,0,0|2,0,1]=4 543 B12R1.385 Cc1cc(ccc1N)SCCO 62a_100000211926_100000211769 [1,0,0,0,0,0|2,0,1]=4 544 B12R1.385 Cc1cc(ccc1O)NCCF 34a_100011218179_100011217306 [1,0,0,0,0,0|2,0,1]=4 545 B12R1.385 Cc1cc(ccc1O)NCCF 7a_100011218179_100011217306 [1,0,0,0,0,0|2,0,1]=4 546 B12R1.385 Cc1cc(ccc1O)NCCO 34a_100011218179_100000211926 [1,0,0,0,0,0|1,0,1]=3 547 B12R1.385 Cc1cc(ccc1O)NCCO 7a_100011218179_100000211926 [1,0,0,0,0,0|1,0,1]=3 548 B12R1.385 Cc1cc(ccc1O)SCCF 62a_100011217306_100000186361 [1,0,0,0,0,0|2,0,1]=4 549 B12R1.385 Cc1cc(ccc1O)SCCO 62a_100000211926_100000186361 [1,0,0,0,0,0|1,0,1]=3 550 B12R1.385 Cc1cc(cnc1O)SCCO 62a_100000211926_100000685391 [1,0,0,0,0,0|2,0,1]=4 551 B12R1.385 Cc1cc(cnc1O)SCCO 62a_100000685391_100000211926 [1,0,0,0,0,0|2,0,1]=4 552 B12R1.385 Cc1cc(ncc1O)NCCO 271570a_203496583355_100012352624 [1,0,0,0,0,0|2,0,1]=4 553 B12R1.385 Cc1cc(ncc1O)SCCO 62a_100000211926_100000692680 [1,0,0,0,0,0|2,0,1]=4 554 B12R1.385 Cc1ccc(cc1C)NCCO 2230a_100000724040_100000211926 [1,0,0,0,0,0|2,0,1]=4 555 B12R1.385 Cc1ccc(cc1C)NCCO 34a_100000724040_100000211926 [1,0,0,0,0,0|2,0,1]=4 556 B12R1.385 Cc1ccc(cc1C)NCCO 7a_100000724040_100000211926 [1,0,0,0,0,0|2,0,1]=4 557 B12R1.385 Cc1ccc(cc1C)OCCO 34a_100000210932_100000211926 [1,0,0,0,0,0|2,0,1]=4 558 B12R1.385 Cc1ccc(cc1C)OCCO 7a_100000210932_100000211926 [1,0,0,0,0,0|2,0,1]=4 559 B12R1.385 Cc1ccc(cc1C)SCCO 62a_100000211926_100011215607 [1,0,0,0,0,0|2,0,1]=4 560 B12R1.385 Cc1ccc(cc1C)SCCO 62a_100011215607_100000211926 [1,0,0,0,0,0|2,0,1]=4 561 B12R1.385 Cc1ccc(cc1O)NCCO 34a_100000759471_100000211926 [1,0,0,0,0,0|2,0,1]=4 562 B12R1.385 Cc1ccc(cc1O)NCCO 7a_100000759471_100000211926 [1,0,0,0,0,0|2,0,1]=4 563 B12R1.385 Cc1ccc(cc1O)SCCO 271570a_203496583355_100010989109 [1,0,0,0,0,0|2,0,1]=4 564 B12R1.385 Cc1ccc(cc1O)SCCO 62a_100000211926_100000685420 [1,0,0,0,0,0|2,0,1]=4 565 B12R1.385 Cc1ccc(cc1O)SCCO 62a_100000685420_100000211926 [1,0,0,0,0,0|2,0,1]=4 566 B12R1.385 Cc1nc(ccc1O)SCCO 62a_100000211926_100010233687 [1,0,0,0,0,0|2,0,1]=4 567 B12R1.385 Cc1nc(ccc1O)SCCO 62a_100010233687_100000211926 [1,0,0,0,0,0|2,0,1]=4 568 B12R1.385 Nc1cc(ccc1O)SCCO 62a_100000211926_100000752626 [1,0,0,0,0,0|2,0,1]=4 569 B12R1.385 Nc1cc(ccc1O)SCCO 62a_100000752626_100000211926 [1,0,0,0,0,0|2,0,1]=4 570 B12R1.385 Nc1ccc(cc1O)SCCO 62a_100000211926_100000739049 [1,0,0,0,0,0|2,0,1]=4 571 B12R1.385 Nc1ccc(cc1O)SCCO 62a_100000739049_100000211926 [1,0,0,0,0,0|2,0,1]=4 572 B12R1.385 OCCNc1ccc(c(c1)Br)O 34a_100011534360_100000211926 [1,0,0,0,0,0|2,0,1]=4 573 B12R1.385 OCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000211926 [1,0,0,0,0,0|2,0,1]=4 574 B12R1.385 OCCNc1ccc(c(c1)F)O 34a_100011220035_100000211926 [1,0,0,0,0,0|2,0,1]=4 575 B12R1.385 OCCNc1ccc(c(c1)F)O 7a_100011220035_100000211926 [1,0,0,0,0,0|2,0,1]=4 576 B12R1.385 OCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000211926 [1,0,0,0,0,0|2,0,1]=4 577 B12R1.385 OCCNc1ccc(c(c1)O)F 34a_100012017398_100000211926 [1,0,0,0,0,0|2,0,1]=4 578 B12R1.385 OCCNc1ccc(c(c1)O)F 7a_100012017398_100000211926 [1,0,0,0,0,0|2,0,1]=4 579 B12R1.385 OCCNc1ccc(c(c1)O)O 34a_100102946323_100000211926 [1,0,0,0,0,0|1,0,1]=3 580 B12R1.385 OCCSc1ccc(c(c1)Br)O 62a_100000211926_100012361655 [1,0,0,0,0,0|2,0,1]=4 581 B12R1.385 OCCSc1ccc(c(c1)Br)O 62a_100012361655_100000211926 [1,0,0,0,0,0|2,0,1]=4 582 B12R1.385 OCCSc1ccc(c(c1)Cl)O 62a_100000211926_100012360047 [1,0,0,0,0,0|2,0,1]=4 583 B12R1.385 OCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000211926 [1,0,0,0,0,0|2,0,1]=4 584 B12R1.385 OCCSc1ccc(c(c1)F)O 62a_100000185481_100000211926 [1,0,0,0,0,0|2,0,1]=4 585 B12R1.385 OCCSc1ccc(c(c1)F)O 62a_100000211926_100000185481 [1,0,0,0,0,0|2,0,1]=4 586 B12R1.385 OCCSc1ccc(c(c1)O)Br 62a_100000211926_100012356990 [1,0,0,0,0,0|2,0,1]=4 587 B12R1.385 OCCSc1ccc(c(c1)O)Br 62a_100012356990_100000211926 [1,0,0,0,0,0|2,0,1]=4 588 B12R1.385 OCCSc1ccc(c(c1)O)Cl 62a_100000211926_100011356854 [1,0,0,0,0,0|2,0,1]=4 589 B12R1.385 OCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000211926 [1,0,0,0,0,0|2,0,1]=4 590 B12R1.385 OCCSc1ccc(c(c1)O)F 62a_100000211926_100000686035 [1,0,0,0,0,0|2,0,1]=4 591 B12R1.385 OCCSc1ccc(c(c1)O)F 62a_100000686035_100000211926 [1,0,0,0,0,0|2,0,1]=4 592 B12R1.385 OCCSc1ccc(c(c1)O)O 62a_100000211926_100009813601 [1,0,0,0,0,0|1,0,1]=3 593 B12R1.385 Oc1ccc(cc1O)CNCF 34a_100000010075_100015361967 [1,0,0,0,0,0|2,0,1]=4 594 B12R1.385 Oc1ccc(cc1O)NCCF 34a_100102946323_100011217306 [1,0,0,0,0,0|2,0,1]=4 595 B12R1.385 Oc1ccc(cc1O)SCCF 62a_100011217306_100009813601 [1,0,0,0,0,0|2,0,1]=4 596 B14R1.42 CC(C)C=Cc1ccc(c(c1)C#N)O 271570a_100016257149_100000687585 [0,1,0,0,0,0|3,0,0]=4 597 B14R1.42 CC(C)C=Cc1ccc(c(c1)C=O)O 271570a_100016257149_100000186750 [0,1,0,0,0,0|3,0,0]=4 598 B14R1.42 CC(C)C=Cc1ccc(c(c1)CN)O 271570a_100016257149_100000730032 [0,1,0,0,0,0|3,0,0]=4 599 B14R1.42 CC(C)C=Cc1ccc(c(c1)CO)O 271570a_100016257149_100000184703 [0,1,0,0,0,0|3,0,0]=4 600 B14R1.42 CC(O)C=Cc1ccc(c(c1)C#N)Br 271570a_200011019289_100012355174 [0,1,0,0,0,0|3,0,0]=4 601 B14R1.42 CC(O)C=Cc1ccc(c(c1)C#N)Cl 271570a_200011019289_100011356831 [0,1,0,0,0,0|3,0,0]=4 602 B14R1.42 CC(O)C=Cc1ccc(c(c1)C#N)F 271570a_200011019289_100000037165 [0,1,0,0,0,0|3,0,0]=4 603 B14R1.42 CC(O)C=Cc1ccc(c(c1)C#N)N 271570a_200011019289_100000688460 [0,1,0,0,0,0|3,0,0]=4 604 B14R1.42 CC(O)C=Cc1ccc(c(c1)C#N)O 271570a_200011019289_100000687585 [0,1,0,0,0,0|2,0,0]=3 605 B14R1.42 CC(O)C=Cc1ccc(c(c1)C=O)Br 271570a_200011019289_100010185652 [0,1,0,0,0,0|3,0,0]=4 606 B14R1.42 CC(O)C=Cc1ccc(c(c1)C=O)Cl 271570a_200011019289_100010254384 [0,1,0,0,0,0|3,0,0]=4 607 B14R1.42 CC(O)C=Cc1ccc(c(c1)C=O)F 271570a_200011019289_100000211465 [0,1,0,0,0,0|3,0,0]=4 608 B14R1.42 CC(O)C=Cc1ccc(c(c1)C=O)N 271570a_200011019289_100011935258 [0,1,0,0,0,0|3,0,0]=4 609 B14R1.42 CC(O)C=Cc1ccc(c(c1)C=O)O 271570a_200011019289_100000186750 [0,1,0,0,0,0|2,0,0]=3 610 B14R1.42 CC(O)C=Cc1ccc(c(c1)CN)F 271570a_200011019289_100009815772 [0,1,0,0,0,0|3,0,0]=4 611 B14R1.42 CC(O)C=Cc1ccc(c(c1)CN)N 271570a_200011019289_100012349119 [0,1,0,0,0,0|3,0,0]=4 612 B14R1.42 CC(O)C=Cc1ccc(c(c1)CN)O 271570a_200011019289_100000730032 [0,1,0,0,0,0|2,0,0]=3 613 B14R1.42 CC(O)C=Cc1ccc(c(c1)CO)Br 271570a_200011019289_100012359683 [0,1,0,0,0,0|3,0,0]=4 614 B14R1.42 CC(O)C=Cc1ccc(c(c1)CO)Cl 271570a_200011019289_100010128486 [0,1,0,0,0,0|3,0,0]=4 615 B14R1.42 CC(O)C=Cc1ccc(c(c1)CO)F 271570a_200011019289_100000049604 [0,1,0,0,0,0|3,0,0]=4 616 B14R1.42 CC(O)C=Cc1ccc(c(c1)CO)N 271570a_200011019289_100012353972 [0,1,0,0,0,0|3,0,0]=4 617 B14R1.42 CC(O)C=Cc1ccc(c(c1)CO)O 271570a_200011019289_100000184703 [0,1,0,0,0,0|2,0,0]=3 618 B14R1.42 CC(O)C=Cc1ccc(c(c1)NN)F 271570a_200011019289_100020610843 [0,1,0,0,0,0|3,0,0]=4 619 B14R1.42 CC(O)C=Cc1cnc(c(c1)C#N)O 271570a_200011019289_100000697733 [0,1,0,0,0,0|3,0,0]=4 620 B14R1.42 CC(O)C=Cc1cnc(c(c1)CO)O 271570a_200011019289_100010065268 [0,1,0,0,0,0|3,0,0]=4 621 B14R1.42 CCc1cc(ccc1Br)C=CC(C)C 271570a_100016257149_100010244631 [0,1,0,0,0,0|3,0,0]=4 622 B14R1.42 CCc1cc(ccc1Br)C=CC(C)O 271570a_200011019289_100010244631 [0,1,0,0,0,0|2,0,0]=3 623 B14R1.42 CCc1cc(ccc1F)C=CC(C)C 271570a_100016257149_100010244625 [0,1,0,0,0,0|3,0,0]=4 624 B14R1.42 CCc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100010244625 [0,1,0,0,0,0|2,0,0]=3 625 B14R1.42 CCc1cc(ccc1N)C=CC(C)C 271570a_100016257149_100000686106 [0,1,0,0,0,0|3,0,0]=4 626 B14R1.42 CCc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000686106 [0,1,0,0,0,0|2,0,0]=3 627 B14R1.42 CCc1cc(ccc1O)C=CC(C)C 271570a_100016257149_100012338938 [0,1,0,0,0,0|2,0,0]=3 628 B14R1.42 CCc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100012338938 [0,1,0,0,0,0|1,0,0]=2 629 B14R1.42 CCc1cc(ccc1O)SCC(C)O 62a_100011218427_100012338938 [0,1,0,0,0,0|2,0,1]=4 630 B14R1.42 CCc1cc(ccc1O)SC[C@@H](C)O 62a_100009817552_100012338938 [0,1,0,0,0,0|2,0,1]=4 631 B14R1.42 CCc1nc(ccc1N)C=CC(C)O 271570a_200011019289_100009871203 [0,1,0,0,0,0|3,0,0]=4 632 B14R1.42 CCn1cc(ccc1=O)C=CC(C)O 271570a_200011019289_100000231005 [0,1,0,0,0,0|2,0,1]=4 633 B14R1.42 CNc1cc(ccc1C)C=CC(C)C 271570a_100016257149_100020629602 [0,1,0,0,0,0|3,0,0]=4 634 B14R1.42 CNc1cc(ccc1C)C=CC(C)O 271570a_200011019289_100020629602 [0,1,0,0,0,0|2,0,0]=3 635 B14R1.42 CNc1cc(ccc1F)C=CC(C)C 271570a_100016257149_100011314990 [0,1,0,0,0,0|3,0,0]=4 636 B14R1.42 CNc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100011314990 [0,1,0,0,0,0|2,0,0]=3 637 B14R1.42 CNc1cc(ccc1N)C=CC(C)C 271570a_100016257149_100000694363 [0,1,0,0,0,0|3,0,0]=4 638 B14R1.42 CNc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000694363 [0,1,0,0,0,0|2,0,0]=3 639 B14R1.42 CNc1cc(cnc1N)C=CC(C)O 271570a_200011019289_100010506235 [0,1,0,0,0,0|3,0,0]=4 640 B14R1.42 COc1cc(c[nH]c1=O)C=CC(C)C 271570a_100016257149_100010125397 [0,1,0,0,0,0|2,0,1]=4 641 B14R1.42 COc1cc(c[nH]c1=O)C=CC(C)O 271570a_200011019289_100010125397 [0,1,0,0,0,0|1,0,1]=3 642 B14R1.42 COc1cc(ccc1Br)C=CC(=O)C 1458a_100016267305_200000210301 [0,1,0,0,0,0|1,0,2]=4 643 B14R1.42 COc1cc(ccc1Br)C=CC(=O)[13CH3] 1458a_100016267305_200025704644 [0,1,0,0,0,0|1,0,2]=4 644 B14R1.42 COc1cc(ccc1Br)C=CC(C)C 271570a_100016257149_100012353699 [0,1,0,0,0,0|2,0,0]=3 645 B14R1.42 COc1cc(ccc1Br)C=CC(C)O 271570a_200011019289_100012353699 [0,1,0,0,0,0|1,0,0]=2 646 B14R1.42 COc1cc(ccc1Br)NCC(C)O 2230a_100000765947_100011218427 [0,1,0,0,0,0|2,0,1]=4 647 B14R1.42 COc1cc(ccc1Br)NCC(C)O 34a_100000765947_100011218427 [0,1,0,0,0,0|2,0,1]=4 648 B14R1.42 COc1cc(ccc1Br)NC[C@@H](C)O 2230a_100000765947_100009817552 [0,1,0,0,0,0|2,0,1]=4 649 B14R1.42 COc1cc(ccc1Br)NC[C@@H](C)O 34a_100000765947_100009817552 [0,1,0,0,0,0|2,0,1]=4 650 B14R1.42 COc1cc(ccc1Br)OCC(C)O 34a_100011827694_100011218427 [0,1,0,0,0,0|2,0,1]=4 651 B14R1.42 COc1cc(ccc1Br)OCC(C)O 7a_100011827694_100011218427 [0,1,0,0,0,0|2,0,1]=4 652 B14R1.42 COc1cc(ccc1Br)OC[C@@H](C)O 34a_100011827694_100009817552 [0,1,0,0,0,0|2,0,1]=4 653 B14R1.42 COc1cc(ccc1Br)OC[C@@H](C)O 7a_100011827694_100009817552 [0,1,0,0,0,0|2,0,1]=4 654 B14R1.42 COc1cc(ccc1Br)SCC(C)O 62a_100011218427_100012353699 [0,1,0,0,0,0|2,0,1]=4 655 B14R1.42 COc1cc(ccc1Br)SCC(C)O 62a_100012353699_100011218427 [0,1,0,0,0,0|2,0,1]=4 656 B14R1.42 COc1cc(ccc1Br)SC[C@@H](C)O 62a_100009817552_100012353699 [0,1,0,0,0,0|2,0,1]=4 657 B14R1.42 COc1cc(ccc1Br)SC[C@@H](C)O 62a_100012353699_100009817552 [0,1,0,0,0,0|2,0,1]=4 658 B14R1.42 COc1cc(ccc1C)C=CC(C)C 271570a_100016257149_100011830276 [0,1,0,0,0,0|2,0,0]=3 659 B14R1.42 COc1cc(ccc1C)C=CC(C)O 271570a_200011019289_100011830276 [0,1,0,0,0,0|1,0,0]=2 660 B14R1.42 COc1cc(ccc1C)NCC(C)O 2230a_100011279678_100011218427 [0,1,0,0,0,0|2,0,1]=4 661 B14R1.42 COc1cc(ccc1C)NCC(C)O 34a_100011279678_100011218427 [0,1,0,0,0,0|2,0,1]=4 662 B14R1.42 COc1cc(ccc1C)NC[C@@H](C)O 2230a_100011279678_100009817552 [0,1,0,0,0,0|2,0,1]=4 663 B14R1.42 COc1cc(ccc1C)NC[C@@H](C)O 34a_100011279678_100009817552 [0,1,0,0,0,0|2,0,1]=4 664 B14R1.42 COc1cc(ccc1C)OCC(C)O 34a_100009865632_100011218427 [0,1,0,0,0,0|2,0,1]=4 665 B14R1.42 COc1cc(ccc1C)OCC(C)O 7a_100009865632_100011218427 [0,1,0,0,0,0|2,0,1]=4 666 B14R1.42 COc1cc(ccc1C)OC[C@@H](C)O 34a_100009865632_100009817552 [0,1,0,0,0,0|2,0,1]=4 667 B14R1.42 COc1cc(ccc1C)OC[C@@H](C)O 7a_100009865632_100009817552 [0,1,0,0,0,0|2,0,1]=4 668 B14R1.42 COc1cc(ccc1C)SCC(C)O 62a_100011218427_100011830276 [0,1,0,0,0,0|2,0,1]=4 669 B14R1.42 COc1cc(ccc1C)SCC(C)O 62a_100011830276_100011218427 [0,1,0,0,0,0|2,0,1]=4 670 B14R1.42 COc1cc(ccc1C)SC[C@@H](C)O 62a_100009817552_100011830276 [0,1,0,0,0,0|2,0,1]=4 671 B14R1.42 COc1cc(ccc1C)SC[C@@H](C)O 62a_100011830276_100009817552 [0,1,0,0,0,0|2,0,1]=4 672 B14R1.42 COc1cc(ccc1Cl)C=CC(C)C 271570a_100016257149_100011356853 [0,1,0,0,0,0|2,0,0]=3 673 B14R1.42 COc1cc(ccc1Cl)C=CC(C)O 271570a_200011019289_100011356853 [0,1,0,0,0,0|1,0,0]=2 674 B14R1.42 COc1cc(ccc1Cl)NCC(C)O 2230a_100000742311_100011218427 [0,1,0,0,0,0|2,0,1]=4 675 B14R1.42 COc1cc(ccc1Cl)NCC(C)O 34a_100000742311_100011218427 [0,1,0,0,0,0|2,0,1]=4 676 B14R1.42 COc1cc(ccc1Cl)NC[C@@H](C)O 2230a_100000742311_100009817552 [0,1,0,0,0,0|2,0,1]=4 677 B14R1.42 COc1cc(ccc1Cl)NC[C@@H](C)O 34a_100000742311_100009817552 [0,1,0,0,0,0|2,0,1]=4 678 B14R1.42 COc1cc(ccc1Cl)OCC(C)O 34a_100012186310_100011218427 [0,1,0,0,0,0|2,0,1]=4 679 B14R1.42 COc1cc(ccc1Cl)OCC(C)O 7a_100012186310_100011218427 [0,1,0,0,0,0|2,0,1]=4 680 B14R1.42 COc1cc(ccc1Cl)OC[C@@H](C)O 34a_100012186310_100009817552 [0,1,0,0,0,0|2,0,1]=4 681 B14R1.42 COc1cc(ccc1Cl)OC[C@@H](C)O 7a_100012186310_100009817552 [0,1,0,0,0,0|2,0,1]=4 682 B14R1.42 COc1cc(ccc1Cl)SCC(C)O 62a_100011218427_100011356853 [0,1,0,0,0,0|2,0,1]=4 683 B14R1.42 COc1cc(ccc1Cl)SCC(C)O 62a_100011356853_100011218427 [0,1,0,0,0,0|2,0,1]=4 684 B14R1.42 COc1cc(ccc1Cl)SC[C@@H](C)O 62a_100009817552_100011356853 [0,1,0,0,0,0|2,0,1]=4 685 B14R1.42 COc1cc(ccc1Cl)SC[C@@H](C)O 62a_100011356853_100009817552 [0,1,0,0,0,0|2,0,1]=4 686 B14R1.42 COc1cc(ccc1F)C=CC(C)C 271570a_100016257149_100011934186 [0,1,0,0,0,0|2,0,0]=3 687 B14R1.42 COc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100011934186 [0,1,0,0,0,0|1,0,0]=2 688 B14R1.42 COc1cc(ccc1F)NCC(C)O 2230a_100000701188_100011218427 [0,1,0,0,0,0|2,0,1]=4 689 B14R1.42 COc1cc(ccc1F)NCC(C)O 34a_100000701188_100011218427 [0,1,0,0,0,0|2,0,1]=4 690 B14R1.42 COc1cc(ccc1F)NC[C@@H](C)O 2230a_100000701188_100009817552 [0,1,0,0,0,0|2,0,1]=4 691 B14R1.42 COc1cc(ccc1F)NC[C@@H](C)O 34a_100000701188_100009817552 [0,1,0,0,0,0|2,0,1]=4 692 B14R1.42 COc1cc(ccc1F)OCC(C)O 34a_100012001760_100011218427 [0,1,0,0,0,0|2,0,1]=4 693 B14R1.42 COc1cc(ccc1F)OCC(C)O 7a_100012001760_100011218427 [0,1,0,0,0,0|2,0,1]=4 694 B14R1.42 COc1cc(ccc1F)OC[C@@H](C)O 34a_100012001760_100009817552 [0,1,0,0,0,0|2,0,1]=4 695 B14R1.42 COc1cc(ccc1F)OC[C@@H](C)O 7a_100012001760_100009817552 [0,1,0,0,0,0|2,0,1]=4 696 B14R1.42 COc1cc(ccc1F)SCC(C)O 62a_100011218427_100011934186 [0,1,0,0,0,0|2,0,1]=4 697 B14R1.42 COc1cc(ccc1F)SCC(C)O 62a_100011934186_100011218427 [0,1,0,0,0,0|2,0,1]=4 698 B14R1.42 COc1cc(ccc1F)SC[C@@H](C)O 62a_100009817552_100011934186 [0,1,0,0,0,0|2,0,1]=4 699 B14R1.42 COc1cc(ccc1F)SC[C@@H](C)O 62a_100011934186_100009817552 [0,1,0,0,0,0|2,0,1]=4 700 B14R1.42 COc1cc(ccc1I)NCC(C)O 34a_100000746945_100011218427 [0,1,0,0,0,0|2,0,1]=4 701 B14R1.42 COc1cc(ccc1I)NC[C@@H](C)O 34a_100000746945_100009817552 [0,1,0,0,0,0|2,0,1]=4 702 B14R1.42 COc1cc(ccc1N)C=CC(C)C 271570a_100016257149_100011279103 [0,1,0,0,0,0|2,0,0]=3 703 B14R1.42 COc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100011279103 [0,1,0,0,0,0|1,0,0]=2 704 B14R1.42 COc1cc(ccc1N)OCC(C)O 34a_100015326901_100011218427 [0,1,0,0,0,0|2,0,1]=4 705 B14R1.42 COc1cc(ccc1N)OCC(C)O 7a_100015326901_100011218427 [0,1,0,0,0,0|2,0,1]=4 706 B14R1.42 COc1cc(ccc1N)OC[C@@H](C)O 34a_100015326901_100009817552 [0,1,0,0,0,0|2,0,1]=4 707 B14R1.42 COc1cc(ccc1N)OC[C@@H](C)O 7a_100015326901_100009817552 [0,1,0,0,0,0|2,0,1]=4 708 B14R1.42 COc1cc(ccc1N)SCC(C)O 62a_100011218427_100015196925 [0,1,0,0,0,0|2,0,1]=4 709 B14R1.42 COc1cc(ccc1N)SCC(C)O 62a_100011279103_100011218427 [0,1,0,0,0,0|2,0,1]=4 710 B14R1.42 COc1cc(ccc1N)SC[C@@H](C)O 62a_100009817552_100015196925 [0,1,0,0,0,0|2,0,1]=4 711 B14R1.42 COc1cc(ccc1N)SC[C@@H](C)O 62a_100011279103_100009817552 [0,1,0,0,0,0|2,0,1]=4 712 B14R1.42 COc1cc(ccc1O)C=CC(=O)C 1458a_100000182119_200000210301 [0,1,0,0,0,0|0,0,2]=3 713 B14R1.42 COc1cc(ccc1O)C=CC(=O)[13CH3] 1458a_100000182119_200025704644 [0,1,0,0,0,0|0,0,2]=3 714 B14R1.42 COc1cc(ccc1O)C=CC(C)C 271570a_100016257149_100000694246 [0,1,0,0,0,0|1,0,0]=2 715 B14R1.42 COc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000694246 [0,1,0,0,0,0|0,0,0]=1 716 B14R1.42 COc1cc(ccc1O)CNC(C)C 34a_100000185554_100000210206 [0,1,0,0,0,0|2,0,1]=4 717 B14R1.42 COc1cc(ccc1O)NCC(C)C 34a_100000726020_100000210624 [0,1,0,0,0,0|2,0,1]=4 718 B14R1.42 COc1cc(ccc1O)NCC(C)O 34a_100000726020_100011218427 [0,1,0,0,0,0|1,0,1]=3 719 B14R1.42 COc1cc(ccc1O)NCC(F)F 34a_100000726020_100011934356 [0,1,0,0,0,0|2,0,1]=4 720 B14R1.42 COc1cc(ccc1O)NC[C@@H](C)O 34a_100000726020_100009817552 [0,1,0,0,0,0|1,0,1]=3 721 B14R1.42 COc1cc(ccc1O)SCC(C)C 62a_100000210624_100000694246 [0,1,0,0,0,0|2,0,1]=4 722 B14R1.42 COc1cc(ccc1O)SCC(C)O 62a_100011218427_100000694246 [0,1,0,0,0,0|1,0,1]=3 723 B14R1.42 COc1cc(ccc1O)SCC(F)F 62a_100011934356_100000694246 [0,1,0,0,0,0|2,0,1]=4 724 B14R1.42 COc1cc(ccc1O)SC[C@@H](C)O 62a_100009817552_100000694246 [0,1,0,0,0,0|1,0,1]=3 725 B14R1.42 COc1cc(cnc1C)C=CC(C)C 271570a_100016257149_100010254219 [0,1,0,0,0,0|3,0,0]=4 726 B14R1.42 COc1cc(cnc1C)C=CC(C)O 271570a_200011019289_100010254219 [0,1,0,0,0,0|2,0,0]=3 727 B14R1.42 COc1cc(cnc1F)C=CC(C)C 271570a_100016257149_100010214931 [0,1,0,0,0,0|3,0,0]=4 728 B14R1.42 COc1cc(cnc1F)C=CC(C)O 271570a_200011019289_100010214931 [0,1,0,0,0,0|2,0,0]=3 729 B14R1.42 COc1cc(cnc1N)C=CC(C)C 271570a_100016257149_106354213024 [0,1,0,0,0,0|3,0,0]=4 730 B14R1.42 COc1cc(cnc1N)C=CC(C)O 271570a_200011019289_106354213024 [0,1,0,0,0,0|2,0,0]=3 731 B14R1.42 COc1cc(ncc1C)C=CC(C)C 271570a_100016257149_100010067687 [0,1,0,0,0,0|3,0,0]=4 732 B14R1.42 COc1cc(ncc1C)C=CC(C)O 271570a_200011019289_100010067687 [0,1,0,0,0,0|2,0,0]=3 733 B14R1.42 COc1cc(ncc1F)C=CC(C)C 271570a_100016257149_200010136270 [0,1,0,0,0,0|3,0,0]=4 734 B14R1.42 COc1cc(ncc1F)C=CC(C)O 271570a_200011019289_200010136270 [0,1,0,0,0,0|2,0,0]=3 735 B14R1.42 COc1cc(ncc1N)C=CC(C)C 271570a_100016257149_100009887741 [0,1,0,0,0,0|3,0,0]=4 736 B14R1.42 COc1cc(ncc1N)C=CC(C)O 271570a_200011019289_100009887741 [0,1,0,0,0,0|2,0,0]=3 737 B14R1.42 COc1cc(nnc1N)C=CC(C)O 271570a_200011019289_100000688033 [0,1,0,0,0,0|3,0,0]=4 738 B14R1.42 COc1nc(ccc1N)C=CC(C)C 271570a_100016257149_100000687816 [0,1,0,0,0,0|3,0,0]=4 739 B14R1.42 COc1nc(ccc1N)C=CC(C)O 271570a_200011019289_100000687816 [0,1,0,0,0,0|2,0,0]=3 740 B14R1.42 COc1nc(ccc1O)C=CC(C)C 271570a_100016257149_100010893133 [0,1,0,0,0,0|2,0,0]=3 741 B14R1.42 COc1nc(ccc1O)C=CC(C)O 271570a_200011019289_100010893133 [0,1,0,0,0,0|1,0,0]=2 742 B14R1.42 COc1nc(ccc1O)SCC(C)O 62a_100011218427_100010893133 [0,1,0,0,0,0|2,0,1]=4 743 B14R1.42 COc1nc(ccc1O)SC[C@@H](C)O 62a_100009817552_100010893133 [0,1,0,0,0,0|2,0,1]=4 744 B14R1.42 COc1nc(cnc1N)C=CC(C)O 271570a_200011019289_100009816943 [0,1,0,0,0,0|3,0,0]=4 745 B14R1.42 COc1nc(cnc1O)C=CC(C)C 271570a_100016257149_200010365344 [0,1,0,0,0,0|3,0,0]=4 746 B14R1.42 COc1nc(cnc1O)C=CC(C)O 271570a_200011019289_200010365344 [0,1,0,0,0,0|2,0,0]=3 747 B14R1.42 COc1nc(ncc1C)C=CC(C)O 271570a_200011019289_100012500371 [0,1,0,0,0,0|3,0,0]=4 748 B14R1.42 COc1nc(ncc1F)C=CC(C)O 271570a_200011019289_100012183945 [0,1,0,0,0,0|3,0,0]=4 749 B14R1.42 COc1nc(ncc1N)C=CC(C)O 271570a_200011019289_100012122185 [0,1,0,0,0,0|3,0,0]=4 750 B14R1.42 CSc1cc(ccc1F)C=CC(C)C 271570a_100016257149_100010341305 [0,1,0,0,0,0|2,1,0]=4 751 B14R1.42 CSc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100010341305 [0,1,0,0,0,0|1,1,0]=3 752 B14R1.42 Cc1ccc(cc1C#N)C=CC(C)O 271570a_200011019289_100000698047 [0,1,0,0,0,0|3,0,0]=4 753 B14R1.42 Cc1ccc(cc1C=O)C=CC(C)O 271570a_200011019289_100011361606 [0,1,0,0,0,0|3,0,0]=4 754 B14R1.42 Cc1ccc(cc1CO)C=CC(C)O 271570a_200011019289_100000700630 [0,1,0,0,0,0|3,0,0]=4 755 B14R1.626 C#CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000184674 [0,1,0,0,0,0|1,0,2]=4 756 B14R1.626 C=CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210623 [0,1,0,0,0,0|1,0,2]=4 757 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210303 [0,1,0,0,0,0|2,0,1]=4 758 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210303 [0,1,0,0,0,0|2,0,1]=4 759 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210303 [0,1,0,0,0,0|2,0,1]=4 760 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210303 [0,1,0,0,0,0|2,0,1]=4 761 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210303 [0,1,0,0,0,0|2,0,1]=4 762 B14R1.626 CCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210303 [0,1,0,0,0,0|1,0,1]=3 763 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Br 11a_100015525214_100011934951 [0,1,0,0,0,0|3,0,0]=4 764 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Br 240690a_100015525214_100011934951 [0,1,0,0,0,0|3,0,0]=4 765 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Br 527a_100015525214_100011934951 [0,1,0,0,0,0|3,0,0]=4 766 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)C 11a_100015525214_100000212341 [0,1,0,0,0,0|3,0,0]=4 767 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)C 240690a_100015525214_100000212341 [0,1,0,0,0,0|3,0,0]=4 768 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)C 527a_100015525214_100000212341 [0,1,0,0,0,0|3,0,0]=4 769 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Cl 11a_100015525214_100000181799 [0,1,0,0,0,0|3,0,0]=4 770 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Cl 240690a_100015525214_100000181799 [0,1,0,0,0,0|3,0,0]=4 771 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)Cl 527a_100015525214_100000181799 [0,1,0,0,0,0|3,0,0]=4 772 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)F 11a_100015525214_100000757635 [0,1,0,0,0,0|3,0,0]=4 773 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)F 240690a_100015525214_100000757635 [0,1,0,0,0,0|3,0,0]=4 774 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)F 527a_100015525214_100000757635 [0,1,0,0,0,0|3,0,0]=4 775 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)I 11a_100015525214_100012356290 [0,1,0,0,0,0|3,0,0]=4 776 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)I 240690a_100015525214_100012356290 [0,1,0,0,0,0|3,0,0]=4 777 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)I 527a_100015525214_100012356290 [0,1,0,0,0,0|3,0,0]=4 778 B14R1.626 CCNC(=O)c1ccc(c(c1)OC)O 240690a_100015525214_100000687070 [0,1,0,0,0,0|2,0,0]=3 779 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)Br 7a_100012355281_200000210301 [0,1,0,0,0,0|3,0,0]=4 780 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)F 34a_200009842343_200000210301 [0,1,0,0,0,0|3,0,0]=4 781 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)F 7a_200009842343_200000210301 [0,1,0,0,0,0|3,0,0]=4 782 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)N 7a_100000756704_200000210301 [0,1,0,0,0,0|3,0,0]=4 783 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100010189661 [0,1,0,0,0,0|2,0,0]=3 784 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])Br 7a_100012355281_200025704644 [0,1,0,0,0,0|3,0,0]=4 785 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])F 34a_200009842343_200025704644 [0,1,0,0,0,0|3,0,0]=4 786 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])F 7a_200009842343_200025704644 [0,1,0,0,0,0|3,0,0]=4 787 B14R1.626 CCOC(=O)c1ccc(c(c1)O[13CH3])N 7a_100000756704_200025704644 [0,1,0,0,0,0|3,0,0]=4 788 B14R1.626 CCOC(=O)c1ccc(c(c1)SC)O 62a_200000210301_100009812659 [0,1,0,0,0,0|2,1,0]=4 789 B14R1.626 CCOC(=O)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100009812659 [0,1,0,0,0,0|2,1,0]=4 790 B14R1.626 CCc1cc(ccc1Br)C(=O)CCO 1458a_100010152358_100000211926 [0,1,0,0,0,0|2,0,1]=4 791 B14R1.626 CCc1cc(ccc1Cl)C(=O)CCO 1458a_100000102533_100000211926 [0,1,0,0,0,0|2,0,1]=4 792 B14R1.626 CCc1cc(ccc1F)C(=O)CCO 1458a_100009883079_100000211926 [0,1,0,0,0,0|2,0,1]=4 793 B14R1.626 CNCC(=O)c1ccc(c(c1)OC)O 7a_106832991635_100010206313 [0,1,0,0,0,0|2,0,1]=4 794 B14R1.626 CNNC(=O)c1ccc(c(c1)OC)O 22a_100016993582_100000687070 [0,1,0,0,0,0|3,0,0]=4 795 B14R1.626 COc1cc(ccc1Br)C(=O)CCF 1458a_100011934951_100011217306 [0,1,0,0,0,0|2,0,1]=4 796 B14R1.626 COc1cc(ccc1Br)C(=O)CCO 1458a_100011934951_100000211926 [0,1,0,0,0,0|1,0,1]=3 797 B14R1.626 COc1cc(ccc1C)C(=O)CCF 1458a_100000212341_100011217306 [0,1,0,0,0,0|2,0,1]=4 798 B14R1.626 COc1cc(ccc1C)C(=O)CCO 1458a_100000212341_100000211926 [0,1,0,0,0,0|1,0,1]=3 799 B14R1.626 COc1cc(ccc1Cl)C(=O)CCF 1458a_100000181799_100011217306 [0,1,0,0,0,0|2,0,1]=4 800 B14R1.626 COc1cc(ccc1Cl)C(=O)CCO 1458a_100000181799_100000211926 [0,1,0,0,0,0|1,0,1]=3 801 B14R1.626 COc1cc(ccc1F)C(=O)CCF 1458a_100000757635_100011217306 [0,1,0,0,0,0|2,0,1]=4 802 B14R1.626 COc1cc(ccc1F)C(=O)CCO 1458a_100000757635_100000211926 [0,1,0,0,0,0|1,0,1]=3 803 B14R1.626 COc1cc(ccc1F)N(C)CCO 2230a_200012002703_100000211926 [0,1,0,0,0,0|2,0,1]=4 804 B14R1.626 COc1cc(ccc1F)N(C)CCO 269982a_200012002703_100000211926 [0,1,0,0,0,0|2,0,1]=4 805 B14R1.626 COc1cc(ccc1F)N(C)CCO 34a_200012002703_100000211926 [0,1,0,0,0,0|2,0,1]=4 806 B14R1.626 COc1cc(ccc1F)N(C)CCO 38a_200012002703_100000211926 [0,1,0,0,0,0|2,0,1]=4 807 B14R1.626 COc1cc(ccc1I)C(=O)CCF 1458a_100012356290_100011217306 [0,1,0,0,0,0|2,0,1]=4 808 B14R1.626 COc1cc(ccc1I)C(=O)CCO 1458a_100012356290_100000211926 [0,1,0,0,0,0|1,0,1]=3 809 B14R1.626 COc1cc(ccc1O)C(=O)CC#N 1458a_100000687070_100011214920 [0,1,0,0,0,0|1,0,2]=4 810 B14R1.626 COc1cc(ccc1O)C(=O)CCF 1458a_100000687070_100011217306 [0,1,0,0,0,0|1,0,1]=3 811 B14R1.626 COc1cc(ccc1O)C(=O)CCO 1458a_100000687070_100000211926 [0,1,0,0,0,0|0,0,1]=2 812 B14R1.626 COc1cc(ccc1O)C(=O)CSC 62a_100010206313_200000210301 [0,1,0,0,0,0|2,0,1]=4 813 B14R1.626 COc1cc(ccc1O)C(=O)CS[13CH3] 62a_100010206313_200025704644 [0,1,0,0,0,0|2,0,1]=4 814 B14R1.626 N#Cc1cc(ccc1O)C(=O)CCO 1458a_100009875055_100000211926 [0,1,0,0,0,0|2,0,1]=4 815 B14R1.791 CCNCc1ccc(c(c1)OCC)O 34a_200000751567_100000210202 [0,1,0,0,0,0|2,0,1]=4 816 B14R1.791 CCOc1cc(ccc1Br)NCCO 2230a_200016990551_100000211926 [0,1,0,0,0,0|2,0,1]=4 817 B14R1.791 CCOc1cc(ccc1Br)NCCO 34a_200016990551_100000211926 [0,1,0,0,0,0|2,0,1]=4 818 B14R1.791 CCOc1cc(ccc1Br)NCCO 7a_200016990551_100000211926 [0,1,0,0,0,0|2,0,1]=4 819 B14R1.791 CCOc1cc(ccc1C)NCCO 34a_100000057592_100000210202 [0,1,0,0,0,0|2,0,1]=4 820 B14R1.791 CCOc1cc(ccc1C)NCCO 7a_100000057592_100000210202 [0,1,0,0,0,0|2,0,1]=4 821 B14R1.791 CCOc1cc(ccc1C)SCCO 62a_100000211926_100012361169 [0,1,0,0,0,0|2,0,1]=4 822 B14R1.791 CCOc1cc(ccc1C)SCCO 62a_100012361169_100000211926 [0,1,0,0,0,0|2,0,1]=4 823 B14R1.791 CCOc1cc(ccc1Cl)NCCO 2230a_100011964961_100000211926 [0,1,0,0,0,0|2,0,1]=4 824 B14R1.791 CCOc1cc(ccc1Cl)NCCO 34a_100011964961_100000211926 [0,1,0,0,0,0|2,0,1]=4 825 B14R1.791 CCOc1cc(ccc1F)SCCO 62a_100000211926_200012344967 [0,1,0,0,0,0|2,0,1]=4 826 B14R1.791 CCOc1cc(ccc1F)SCCO 62a_200012344967_100000211926 [0,1,0,0,0,0|2,0,1]=4 827 B14R1.791 CCOc1cc(ccc1N)SCCO 62a_100000688918_100000211926 [0,1,0,0,0,0|2,0,1]=4 828 B14R1.791 CCOc1cc(ccc1O)CNCF 34a_200000751567_100015361967 [0,1,0,0,0,0|2,0,1]=4 829 B14R1.791 CNCc1cc(ccc1O)SCCO 62a_100000211926_100011602694 [0,1,0,0,0,0|2,0,1]=4 830 B14R1.791 CNCc1cc(ccc1O)SCCO 62a_100011602694_100000211926 [0,1,0,0,0,0|2,0,1]=4 831 B14R1.791 COCc1cc(ccc1Br)SCCO 62a_100000211926_202125822959 [0,1,0,0,0,0|2,0,1]=4 832 B14R1.791 COCc1cc(ccc1Br)SCCO 62a_202125822959_100000211926 [0,1,0,0,0,0|2,0,1]=4 833 B14R1.791 COCc1cc(ccc1F)SCCO 62a_100000211926_100010140362 [0,1,0,0,0,0|2,0,1]=4 834 B14R1.791 COCc1cc(ccc1F)SCCO 62a_100010140362_100000211926 [0,1,0,0,0,0|2,0,1]=4 835 B14R1.791 Cc1ccc(cc1OCF)NCCO 34a_100000057592_100015361967 [0,1,0,0,0,0|2,0,1]=4 836 B14R1.791 Cc1ccc(cc1OCF)NCCO 7a_100000057592_100015361967 [0,1,0,0,0,0|2,0,1]=4 837 B14R1.793 CCCCc1ccc(c(c1)OC)CO 271570a_100020621405_100011277633 [0,1,0,0,0,0|1,0,2]=4 838 B14R1.793 CCCCc1ccc(c(c1)OC)OC 271570a_100020621405_100000187503 [0,1,0,0,0,0|1,0,2]=4 839 B14R1.793 CCCNc1ccc(c(c1)OC)CO 34a_100012183141_100000210303 [0,1,0,0,0,0|2,0,1]=4 840 B14R1.793 CCCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210303 [0,1,0,0,0,0|2,0,1]=4 841 B14R1.793 CCCOc1ccc(c(c1)OC)CO 34a_200000116926_100000210303 [0,1,0,0,0,0|2,0,1]=4 842 B14R1.793 CCCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210303 [0,1,0,0,0,0|2,0,1]=4 843 B14R1.793 CCCSc1ccc(c(c1)OC)CO 62a_100000210303_100011277633 [0,1,0,0,0,0|2,0,1]=4 844 B14R1.793 CCCSc1ccc(c(c1)OC)CO 62a_100011277633_100000210303 [0,1,0,0,0,0|2,0,1]=4 845 B14R1.793 CCCSc1ccc(c(c1)OC)OC 62a_100000210303_100011356967 [0,1,0,0,0,0|2,0,1]=4 846 B14R1.793 CCNCc1ccc(c(c1)OC)OC 207a_100015525214_100000170513 [0,1,0,0,0,0|2,0,1]=4 847 B14R1.793 CCNCc1ccc(c(c1)OC)OC 2230a_100015525214_100011233839 [0,1,0,0,0,0|2,0,1]=4 848 B14R1.793 CCNCc1ccc(c(c1)OC)OC 270004a_100015525214_100000170513 [0,1,0,0,0,0|2,0,1]=4 849 B14R1.793 CCNCc1ccc(c(c1)OC)OC 34a_100000185555_100000210202 [0,1,0,0,0,0|2,0,1]=4 850 B14R1.793 CCOCc1ccc(c(c1)OC)OC 34a_100000083705_200000210301 [0,1,0,0,0,0|2,0,1]=4 851 B14R1.793 CCOCc1ccc(c(c1)OC)OC 34a_100000210929_100000210202 [0,1,0,0,0,0|2,0,1]=4 852 B14R1.793 CCOCc1ccc(c(c1)OC)OC 7a_100000083705_200000210301 [0,1,0,0,0,0|2,0,1]=4 853 B14R1.793 CCOCc1ccc(c(c1)OC)O[13CH3] 34a_100000083705_200025704644 [0,1,0,0,0,0|2,0,1]=4 854 B14R1.793 CCOCc1ccc(c(c1)OC)O[13CH3] 7a_100000083705_200025704644 [0,1,0,0,0,0|2,0,1]=4 855 B14R1.793 CCSCc1ccc(c(c1)OC)OC 62a_100000210202_100011233839 [0,1,0,0,0,0|2,0,1]=4 856 B14R1.793 CCc1cc(ccc1OC)SCCO 62a_100000211926_200010179862 [0,1,0,0,0,0|2,0,1]=4 857 B14R1.793 CCc1cc(ccc1OC)SCCO 62a_200010179862_100000211926 [0,1,0,0,0,0|2,0,1]=4 858 B14R1.793 CCc1ccc(cc1OC)SCCO 62a_100000211926_200010710398 [0,1,0,0,0,0|2,0,1]=4 859 B14R1.793 CCc1ccc(cc1OC)SCCO 62a_200010710398_100000211926 [0,1,0,0,0,0|2,0,1]=4 860 B14R1.793 COc1cc(ccc1C#N)NCCO 34a_100011999456_100000211926 [0,1,0,0,0,0|2,0,1]=4 861 B14R1.793 COc1cc(ccc1C#N)SCCO 62a_100000211926_100000694671 [0,1,0,0,0,0|2,0,1]=4 862 B14R1.793 COc1cc(ccc1C=O)SCCO 62a_100000211926_100010290300 [0,1,0,0,0,0|1,0,2]=4 863 B14R1.793 COc1cc(ccc1C=O)SCCO 62a_100000697075_100000211926 [0,1,0,0,0,0|1,0,2]=4 864 B14R1.793 COc1cc(ccc1CO)NCCF 34a_100012183141_100011217306 [0,1,0,0,0,0|2,0,1]=4 865 B14R1.793 COc1cc(ccc1CO)NCCO 34a_100012183141_100000211926 [0,1,0,0,0,0|1,0,1]=3 866 B14R1.793 COc1cc(ccc1CO)OCCF 34a_200000116926_100011217306 [0,1,0,0,0,0|2,0,1]=4 867 B14R1.793 COc1cc(ccc1CO)OCCO 34a_200000116926_100000211926 [0,1,0,0,0,0|1,0,1]=3 868 B14R1.793 COc1cc(ccc1CO)SCCF 62a_100011217306_100011277633 [0,1,0,0,0,0|2,0,1]=4 869 B14R1.793 COc1cc(ccc1CO)SCCF 62a_100011277633_100011217306 [0,1,0,0,0,0|2,0,1]=4 870 B14R1.793 COc1cc(ccc1CO)SCCO 62a_100000211926_100011277633 [0,1,0,0,0,0|1,0,1]=3 871 B14R1.793 COc1cc(ccc1CO)SCCO 62a_100011277633_100000211926 [0,1,0,0,0,0|1,0,1]=3 872 B14R1.793 COc1cc(ccc1O[13CH3])/C=C\CO 34a_100016294963_200025704644 [0,1,0,0,0,0|0,0,0]=1 873 B14R1.793 COc1cc(ccc1O[13CH3])CCCO 34a_100000060467_200025704644 [0,1,0,0,0,0|0,0,2]=3 874 B14R1.793 COc1cc(ccc1O[13CH3])CCCO 7a_100000060467_200025704644 [0,1,0,0,0,0|0,0,2]=3 875 B14R1.793 COc1cc(ccc1SC)SCCO 62a_200011001119_100000211926 [0,1,0,0,0,0|1,1,1]=4 876 B14R1.793 COc1cc(cnc1CO)SCCO 62a_100000211926_200010246159 [0,1,0,0,0,0|2,0,1]=4 877 B14R1.793 COc1cc(cnc1CO)SCCO 62a_200010246159_100000211926 [0,1,0,0,0,0|2,0,1]=4 878 B14R1.793 COc1cc(cnc1OC)SCCO 62a_100000211926_100010234541 [0,1,0,0,0,0|2,0,1]=4 879 B14R1.793 COc1cc(ncc1CO)SCCO 62a_100000211926_100010714672 [0,1,0,0,0,0|2,0,1]=4 880 B14R1.793 COc1cc(ncc1CO)SCCO 62a_100010714672_100000211926 [0,1,0,0,0,0|2,0,1]=4 881 B14R1.793 COc1ccc(cc1OC)/C=C/CO 34a_100102524974_200000210301 [0,1,0,0,0,0|0,0,0]=1 882 B14R1.793 COc1ccc(cc1OC)/C=C\CO 34a_100016294963_200000210301 [0,1,0,0,0,0|0,0,0]=1 883 B14R1.793 COc1ccc(cc1OC)CCCO 34a_100000060467_200000210301 [0,1,0,0,0,0|0,0,2]=3 884 B14R1.793 COc1ccc(cc1OC)CCCO 7a_100000060467_200000210301 [0,1,0,0,0,0|0,0,2]=3 885 B14R1.793 COc1ccc(cc1OC)CNCF 34a_100000185555_100015361967 [0,1,0,0,0,0|2,0,1]=4 886 B14R1.793 COc1ccc(cc1OC)COCF 34a_100000210929_100015361967 [0,1,0,0,0,0|2,0,1]=4 887 B14R1.793 COc1ccc(cc1OC)CSCF 62a_100015361967_100011233839 [0,1,0,0,0,0|2,0,1]=4 888 B14R1.793 COc1ccc(cc1OC)NCCF 34a_100000187404_100011217306 [0,1,0,0,0,0|2,0,1]=4 889 B14R1.793 COc1ccc(cc1OC)NCCO 34a_100000187404_100000211926 [0,1,0,0,0,0|1,0,1]=3 890 B14R1.793 COc1ccc(cc1OC)OCCF 34a_100000039706_100011217306 [0,1,0,0,0,0|2,0,1]=4 891 B14R1.793 COc1ccc(cc1OC)OCCO 34a_100000039706_100000211926 [0,1,0,0,0,0|1,0,1]=3 892 B14R1.793 COc1ccc(cc1OC)SCCF 62a_100011217306_100011356967 [0,1,0,0,0,0|2,0,1]=4 893 B14R1.793 COc1ccc(cc1OC)SCCO 62a_100000211926_100011356967 [0,1,0,0,0,0|1,0,1]=3 894 B14R1.793 COc1ccc(cc1O[13CH3])/C=C/CO 34a_100102524974_200025704644 [0,1,0,0,0,0|0,0,0]=1 895 B14R1.793 COc1ccc(cc1SC)SCCO 62a_200009892704_100000211926 [0,1,0,0,0,0|1,1,1]=4 896 B14R1.793 COc1ccc(nc1OC)SCCO 62a_100000211926_100010214848 [0,1,0,0,0,0|2,0,1]=4 897 B14R1.793 COc1nc(ccc1CO)SCCO 62a_100000211926_100010988397 [0,1,0,0,0,0|2,0,1]=4 898 B14R1.793 COc1nc(ccc1CO)SCCO 62a_100010988397_100000211926 [0,1,0,0,0,0|2,0,1]=4 899 B14R1.794 CC(C)c1cc(ccc1O)SCCO 62a_100000211926_100000691460 [0,1,0,0,0,0|2,0,1]=4 900 B14R1.794 CC(C)c1cc(ccc1O)SCCO 62a_100000691460_100000211926 [0,1,0,0,0,0|2,0,1]=4 901 B14R1.907 C#CCCNc1ccc(c(c1)OC)O 34a_100000726020_100000688953 [0,1,0,0,0,0|2,0,1]=4 902 B14R1.907 C#CCCSc1ccc(c(c1)OC)O 62a_100000688953_100000694246 [0,1,0,0,0,0|2,0,1]=4 903 B14R1.907 C#CCNCc1ccc(c(c1)OC)O 34a_100000185554_100000184674 [0,1,0,0,0,0|2,0,1]=4 904 B14R1.907 C/C=C/CNc1ccc(c(c1)OC)O 34a_100000726020_100102629194 [0,1,0,0,0,0|1,0,2]=4 905 B14R1.907 C/C=C/CSc1ccc(c(c1)OC)O 62a_100102629194_100000694246 [0,1,0,0,0,0|1,0,2]=4 906 B14R1.907 C=CCCNc1ccc(c(c1)OC)O 34a_100000726020_100000754431 [0,1,0,0,0,0|2,0,1]=4 907 B14R1.907 C=CCCSc1ccc(c(c1)OC)O 62a_100000754431_100000694246 [0,1,0,0,0,0|2,0,1]=4 908 B14R1.907 C=CCNCc1ccc(c(c1)OC)O 34a_100000185554_100015514636 [0,1,0,0,0,0|2,0,1]=4 909 B14R1.907 CC=CCNc1ccc(c(c1)OC)O 34a_100000726020_100000070051 [0,1,0,0,0,0|1,0,2]=4 910 B14R1.907 CC=CCSc1ccc(c(c1)OC)O 62a_100000070051_100000694246 [0,1,0,0,0,0|1,0,2]=4 911 B14R1.907 CCC=NNc1ccc(c(c1)OC)F 4a_102515433066_100000210100 [0,1,0,0,0,0|3,0,0]=4 912 B14R1.907 CCCC=Cc1c[nH]c(=O)c(c1)OC 271570a_100016258520_100010125397 [0,1,0,0,0,0|2,0,1]=4 913 B14R1.907 CCCC=Cc1cc(c(cn1)C)OC 271570a_100016258520_100010067687 [0,1,0,0,0,0|3,0,0]=4 914 B14R1.907 CCCC=Cc1cc(c(cn1)F)OC 271570a_100016258520_200010136270 [0,1,0,0,0,0|3,0,0]=4 915 B14R1.907 CCCC=Cc1cc(c(cn1)N)OC 271570a_100016258520_100009887741 [0,1,0,0,0,0|3,0,0]=4 916 B14R1.907 CCCC=Cc1ccc(c(c1)C#N)O 271570a_100016258520_100000687585 [0,1,0,0,0,0|3,0,0]=4 917 B14R1.907 CCCC=Cc1ccc(c(c1)C=O)O 271570a_100016258520_100000186750 [0,1,0,0,0,0|3,0,0]=4 918 B14R1.907 CCCC=Cc1ccc(c(c1)CC)Br 271570a_100016258520_100010244631 [0,1,0,0,0,0|3,0,0]=4 919 B14R1.907 CCCC=Cc1ccc(c(c1)CC)F 271570a_100016258520_100010244625 [0,1,0,0,0,0|3,0,0]=4 920 B14R1.907 CCCC=Cc1ccc(c(c1)CC)N 271570a_100016258520_100000686106 [0,1,0,0,0,0|3,0,0]=4 921 B14R1.907 CCCC=Cc1ccc(c(c1)CC)O 271570a_100016258520_100012338938 [0,1,0,0,0,0|2,0,0]=3 922 B14R1.907 CCCC=Cc1ccc(c(c1)CN)O 271570a_100016258520_100000730032 [0,1,0,0,0,0|3,0,0]=4 923 B14R1.907 CCCC=Cc1ccc(c(c1)CO)O 271570a_100016258520_100000184703 [0,1,0,0,0,0|3,0,0]=4 924 B14R1.907 CCCC=Cc1ccc(c(c1)NC)C 271570a_100016258520_100020629602 [0,1,0,0,0,0|3,0,0]=4 925 B14R1.907 CCCC=Cc1ccc(c(c1)NC)F 271570a_100016258520_100011314990 [0,1,0,0,0,0|3,0,0]=4 926 B14R1.907 CCCC=Cc1ccc(c(c1)NC)N 271570a_100016258520_100000694363 [0,1,0,0,0,0|3,0,0]=4 927 B14R1.907 CCCC=Cc1ccc(c(c1)OC)Br 271570a_100016258520_100012353699 [0,1,0,0,0,0|2,0,0]=3 928 B14R1.907 CCCC=Cc1ccc(c(c1)OC)C 271570a_100016258520_100011830276 [0,1,0,0,0,0|2,0,0]=3 929 B14R1.907 CCCC=Cc1ccc(c(c1)OC)Cl 271570a_100016258520_100011356853 [0,1,0,0,0,0|2,0,0]=3 930 B14R1.907 CCCC=Cc1ccc(c(c1)OC)F 271570a_100016258520_100011934186 [0,1,0,0,0,0|2,0,0]=3 931 B14R1.907 CCCC=Cc1ccc(c(c1)OC)N 271570a_100016258520_100011279103 [0,1,0,0,0,0|2,0,0]=3 932 B14R1.907 CCCC=Cc1ccc(c(c1)OC)O 271570a_100016258520_100000694246 [0,1,0,0,0,0|1,0,0]=2 933 B14R1.907 CCCC=Cc1ccc(c(c1)SC)F 271570a_100016258520_100010341305 [0,1,0,0,0,0|2,1,0]=4 934 B14R1.907 CCCC=Cc1ccc(c(n1)OC)N 271570a_100016258520_100000687816 [0,1,0,0,0,0|3,0,0]=4 935 B14R1.907 CCCC=Cc1ccc(c(n1)OC)O 271570a_100016258520_100010893133 [0,1,0,0,0,0|2,0,0]=3 936 B14R1.907 CCCC=Cc1cnc(c(c1)OC)C 271570a_100016258520_100010254219 [0,1,0,0,0,0|3,0,0]=4 937 B14R1.907 CCCC=Cc1cnc(c(c1)OC)F 271570a_100016258520_100010214931 [0,1,0,0,0,0|3,0,0]=4 938 B14R1.907 CCCC=Cc1cnc(c(c1)OC)N 271570a_100016258520_106354213024 [0,1,0,0,0,0|3,0,0]=4 939 B14R1.907 CCCC=Cc1cnc(c(n1)OC)O 271570a_100016258520_200010365344 [0,1,0,0,0,0|3,0,0]=4 940 B14R1.907 CCCCNc1ccc(c(c1)OC)O 34a_100000726020_100000210210 [0,1,0,0,0,0|1,0,2]=4 941 B14R1.907 CCCCSc1ccc(c(c1)OC)O 62a_100000210211_100000694246 [0,1,0,0,0,0|1,0,2]=4 942 B14R1.907 CCCNCc1ccc(c(c1)OC)O 34a_100000185554_100000210303 [0,1,0,0,0,0|1,0,2]=4 943 B14R1.907 CCNCCc1ccc(c(c1)OC)O 2230a_100015525214_100010741665 [0,1,0,0,0,0|1,0,2]=4 944 B14R1.907 CCNCCc1ccc(c(c1)OC)O 34a_100000756042_100000210202 [0,1,0,0,0,0|1,0,2]=4 945 B14R1.907 CCNN=Cc1ccc(c(c1)OC)Br 4a_100000756455_100010244714 [0,1,0,0,0,0|3,0,0]=4 946 B14R1.907 CCNN=Cc1ccc(c(c1)OC)C 4a_100000756455_100000719150 [0,1,0,0,0,0|3,0,0]=4 947 B14R1.907 CCNN=Cc1ccc(c(c1)OC)Cl 4a_100000756455_100011998524 [0,1,0,0,0,0|3,0,0]=4 948 B14R1.907 CCNN=Cc1ccc(c(c1)OC)F 4a_100000756455_100000692873 [0,1,0,0,0,0|3,0,0]=4 949 B14R1.907 CCNN=Cc1ccc(c(c1)OC)O 4a_100000756455_100000188322 [0,1,0,0,0,0|2,0,0]=3 950 B14R1.907 CCOC=Cc1c[nH]c(=O)c(c1)OC 271570a_100016256518_100010125397 [0,1,0,0,0,0|2,0,1]=4 951 B14R1.907 CCOC=Cc1cc(c(cn1)C)OC 271570a_100016256518_100010067687 [0,1,0,0,0,0|3,0,0]=4 952 B14R1.907 CCOC=Cc1cc(c(cn1)F)OC 271570a_100016256518_200010136270 [0,1,0,0,0,0|3,0,0]=4 953 B14R1.907 CCOC=Cc1cc(c(cn1)N)OC 271570a_100016256518_100009887741 [0,1,0,0,0,0|3,0,0]=4 954 B14R1.907 CCOC=Cc1ccc(c(c1)C#N)O 271570a_100016256518_100000687585 [0,1,0,0,0,0|3,0,0]=4 955 B14R1.907 CCOC=Cc1ccc(c(c1)C=O)O 271570a_100016256518_100000186750 [0,1,0,0,0,0|3,0,0]=4 956 B14R1.907 CCOC=Cc1ccc(c(c1)CC)Br 271570a_100016256518_100010244631 [0,1,0,0,0,0|3,0,0]=4 957 B14R1.907 CCOC=Cc1ccc(c(c1)CC)F 271570a_100016256518_100010244625 [0,1,0,0,0,0|3,0,0]=4 958 B14R1.907 CCOC=Cc1ccc(c(c1)CC)N 271570a_100016256518_100000686106 [0,1,0,0,0,0|3,0,0]=4 959 B14R1.907 CCOC=Cc1ccc(c(c1)CC)O 271570a_100016256518_100012338938 [0,1,0,0,0,0|2,0,0]=3 960 B14R1.907 CCOC=Cc1ccc(c(c1)CN)O 271570a_100016256518_100000730032 [0,1,0,0,0,0|3,0,0]=4 961 B14R1.907 CCOC=Cc1ccc(c(c1)CO)O 271570a_100016256518_100000184703 [0,1,0,0,0,0|3,0,0]=4 962 B14R1.907 CCOC=Cc1ccc(c(c1)NC)C 271570a_100016256518_100020629602 [0,1,0,0,0,0|3,0,0]=4 963 B14R1.907 CCOC=Cc1ccc(c(c1)NC)F 271570a_100016256518_100011314990 [0,1,0,0,0,0|3,0,0]=4 964 B14R1.907 CCOC=Cc1ccc(c(c1)NC)N 271570a_100016256518_100000694363 [0,1,0,0,0,0|3,0,0]=4 965 B14R1.907 CCOC=Cc1ccc(c(c1)OC)Br 271570a_100016256518_100012353699 [0,1,0,0,0,0|2,0,0]=3 966 B14R1.907 CCOC=Cc1ccc(c(c1)OC)C 271570a_100016256518_100011830276 [0,1,0,0,0,0|2,0,0]=3 967 B14R1.907 CCOC=Cc1ccc(c(c1)OC)Cl 271570a_100016256518_100011356853 [0,1,0,0,0,0|2,0,0]=3 968 B14R1.907 CCOC=Cc1ccc(c(c1)OC)F 271570a_100016256518_100011934186 [0,1,0,0,0,0|2,0,0]=3 969 B14R1.907 CCOC=Cc1ccc(c(c1)OC)N 271570a_100016256518_100011279103 [0,1,0,0,0,0|2,0,0]=3 970 B14R1.907 CCOC=Cc1ccc(c(c1)OC)O 271570a_100016256518_100000694246 [0,1,0,0,0,0|1,0,0]=2 971 B14R1.907 CCOC=Cc1ccc(c(c1)SC)F 271570a_100016256518_100010341305 [0,1,0,0,0,0|2,1,0]=4 972 B14R1.907 CCOC=Cc1ccc(c(n1)OC)N 271570a_100016256518_100000687816 [0,1,0,0,0,0|3,0,0]=4 973 B14R1.907 CCOC=Cc1ccc(c(n1)OC)O 271570a_100016256518_100010893133 [0,1,0,0,0,0|2,0,0]=3 974 B14R1.907 CCOC=Cc1cnc(c(c1)OC)C 271570a_100016256518_100010254219 [0,1,0,0,0,0|3,0,0]=4 975 B14R1.907 CCOC=Cc1cnc(c(c1)OC)F 271570a_100016256518_100010214931 [0,1,0,0,0,0|3,0,0]=4 976 B14R1.907 CCOC=Cc1cnc(c(c1)OC)N 271570a_100016256518_106354213024 [0,1,0,0,0,0|3,0,0]=4 977 B14R1.907 CCOC=Cc1cnc(c(n1)OC)O 271570a_100016256518_200010365344 [0,1,0,0,0,0|3,0,0]=4 978 B14R1.907 CCOCSc1ccc(c(c1)OC)O 62a_100000739092_100000694246 [0,1,0,0,0,0|2,0,1]=4 979 B14R1.907 CCSCCc1ccc(c(c1)OC)O 62a_100000210202_100010741665 [0,1,0,0,0,0|1,0,2]=4 980 B14R1.907 CCc1cc(ccc1Br)C=CCOC 271570a_100016286323_100010244631 [0,1,0,0,0,0|2,0,0]=3 981 B14R1.907 CCc1cc(ccc1F)C=CCOC 271570a_100016286323_100010244625 [0,1,0,0,0,0|2,0,0]=3 982 B14R1.907 CCc1cc(ccc1N)C=CCOC 271570a_100016286323_100000686106 [0,1,0,0,0,0|2,0,0]=3 983 B14R1.907 CCc1cc(ccc1O)C=CCOC 271570a_100016286323_100012338938 [0,1,0,0,0,0|1,0,0]=2 984 B14R1.907 CCc1cc(ccc1O)SCCCO 62a_100011215043_100012338938 [0,1,0,0,0,0|1,0,2]=4 985 B14R1.907 CCc1cc(ccc1O)SCCOC 62a_100000233755_100012338938 [0,1,0,0,0,0|2,0,1]=4 986 B14R1.907 CCc1nc(ccc1N)C=CCOC 271570a_100016286323_100009871203 [0,1,0,0,0,0|3,0,0]=4 987 B14R1.907 CCn1cc(ccc1=O)C=CCOC 271570a_100016286323_100000231005 [0,1,0,0,0,0|2,0,1]=4 988 B14R1.907 CNc1cc(ccc1C)C=CCOC 271570a_100016286323_100020629602 [0,1,0,0,0,0|2,0,0]=3 989 B14R1.907 CNc1cc(ccc1F)C=CCOC 271570a_100016286323_100011314990 [0,1,0,0,0,0|2,0,0]=3 990 B14R1.907 CNc1cc(ccc1N)C=CCOC 271570a_100016286323_100000694363 [0,1,0,0,0,0|2,0,0]=3 991 B14R1.907 CNc1cc(cnc1N)C=CCOC 271570a_100016286323_100010506235 [0,1,0,0,0,0|3,0,0]=4 992 B14R1.907 COCC=Cc1c[nH]c(=O)c(c1)OC 271570a_100016286323_100010125397 [0,1,0,0,0,0|1,0,1]=3 993 B14R1.907 COCC=Cc1cc(c(cn1)C)OC 271570a_100016286323_100010067687 [0,1,0,0,0,0|2,0,0]=3 994 B14R1.907 COCC=Cc1cc(c(cn1)F)OC 271570a_100016286323_200010136270 [0,1,0,0,0,0|2,0,0]=3 995 B14R1.907 COCC=Cc1cc(c(cn1)N)OC 271570a_100016286323_100009887741 [0,1,0,0,0,0|2,0,0]=3 996 B14R1.907 COCC=Cc1cc(c(nn1)N)OC 271570a_100016286323_100000688033 [0,1,0,0,0,0|3,0,0]=4 997 B14R1.907 COCC=Cc1ccc(c(c1)C#N)Br 271570a_100016286323_100012355174 [0,1,0,0,0,0|3,0,0]=4 998 B14R1.907 COCC=Cc1ccc(c(c1)C#N)C 271570a_100016286323_100000698047 [0,1,0,0,0,0|3,0,0]=4 999 B14R1.907 COCC=Cc1ccc(c(c1)C#N)Cl 271570a_100016286323_100011356831 [0,1,0,0,0,0|3,0,0]=4 1000 B14R1.907 COCC=Cc1ccc(c(c1)C#N)F 271570a_100016286323_100000037165 [0,1,0,0,0,0|3,0,0]=4 1001 B14R1.907 COCC=Cc1ccc(c(c1)C#N)N 271570a_100016286323_100000688460 [0,1,0,0,0,0|3,0,0]=4 1002 B14R1.907 COCC=Cc1ccc(c(c1)C#N)O 271570a_100016286323_100000687585 [0,1,0,0,0,0|2,0,0]=3 1003 B14R1.907 COCC=Cc1ccc(c(c1)C=O)Br 271570a_100016286323_100010185652 [0,1,0,0,0,0|3,0,0]=4 1004 B14R1.907 COCC=Cc1ccc(c(c1)C=O)C 271570a_100016286323_100011361606 [0,1,0,0,0,0|3,0,0]=4 1005 B14R1.907 COCC=Cc1ccc(c(c1)C=O)Cl 271570a_100016286323_100010254384 [0,1,0,0,0,0|3,0,0]=4 1006 B14R1.907 COCC=Cc1ccc(c(c1)C=O)F 271570a_100016286323_100000211465 [0,1,0,0,0,0|3,0,0]=4 1007 B14R1.907 COCC=Cc1ccc(c(c1)C=O)N 271570a_100016286323_100011935258 [0,1,0,0,0,0|3,0,0]=4 1008 B14R1.907 COCC=Cc1ccc(c(c1)C=O)O 271570a_100016286323_100000186750 [0,1,0,0,0,0|2,0,0]=3 1009 B14R1.907 COCC=Cc1ccc(c(c1)CN)F 271570a_100016286323_100009815772 [0,1,0,0,0,0|3,0,0]=4 1010 B14R1.907 COCC=Cc1ccc(c(c1)CN)N 271570a_100016286323_100012349119 [0,1,0,0,0,0|3,0,0]=4 1011 B14R1.907 COCC=Cc1ccc(c(c1)CN)O 271570a_100016286323_100000730032 [0,1,0,0,0,0|2,0,0]=3 1012 B14R1.907 COCC=Cc1ccc(c(c1)CO)Br 271570a_100016286323_100012359683 [0,1,0,0,0,0|3,0,0]=4 1013 B14R1.907 COCC=Cc1ccc(c(c1)CO)C 271570a_100016286323_100000700630 [0,1,0,0,0,0|3,0,0]=4 1014 B14R1.907 COCC=Cc1ccc(c(c1)CO)Cl 271570a_100016286323_100010128486 [0,1,0,0,0,0|3,0,0]=4 1015 B14R1.907 COCC=Cc1ccc(c(c1)CO)F 271570a_100016286323_100000049604 [0,1,0,0,0,0|3,0,0]=4 1016 B14R1.907 COCC=Cc1ccc(c(c1)CO)N 271570a_100016286323_100012353972 [0,1,0,0,0,0|3,0,0]=4 1017 B14R1.907 COCC=Cc1ccc(c(c1)CO)O 271570a_100016286323_100000184703 [0,1,0,0,0,0|2,0,0]=3 1018 B14R1.907 COCC=Cc1ccc(c(c1)NN)F 271570a_100016286323_100020610843 [0,1,0,0,0,0|3,0,0]=4 1019 B14R1.907 COCC=Cc1ccc(c(c1)OC)Br 271570a_100016286323_100012353699 [0,1,0,0,0,0|1,0,0]=2 1020 B14R1.907 COCC=Cc1ccc(c(c1)OC)C 271570a_100016286323_100011830276 [0,1,0,0,0,0|1,0,0]=2 1021 B14R1.907 COCC=Cc1ccc(c(c1)OC)Cl 271570a_100016286323_100011356853 [0,1,0,0,0,0|1,0,0]=2 1022 B14R1.907 COCC=Cc1ccc(c(c1)OC)F 271570a_100016286323_100011934186 [0,1,0,0,0,0|1,0,0]=2 1023 B14R1.907 COCC=Cc1ccc(c(c1)OC)N 271570a_100016286323_100011279103 [0,1,0,0,0,0|1,0,0]=2 1024 B14R1.907 COCC=Cc1ccc(c(c1)OC)O 271570a_100016286323_100000694246 [0,1,0,0,0,0|0,0,0]=1 1025 B14R1.907 COCC=Cc1ccc(c(c1)SC)F 271570a_100016286323_100010341305 [0,1,0,0,0,0|1,1,0]=3 1026 B14R1.907 COCC=Cc1ccc(c(n1)OC)N 271570a_100016286323_100000687816 [0,1,0,0,0,0|2,0,0]=3 1027 B14R1.907 COCC=Cc1ccc(c(n1)OC)O 271570a_100016286323_100010893133 [0,1,0,0,0,0|1,0,0]=2 1028 B14R1.907 COCC=Cc1cnc(c(c1)C#N)O 271570a_100016286323_100000697733 [0,1,0,0,0,0|3,0,0]=4 1029 B14R1.907 COCC=Cc1cnc(c(c1)CO)O 271570a_100016286323_100010065268 [0,1,0,0,0,0|3,0,0]=4 1030 B14R1.907 COCC=Cc1cnc(c(c1)OC)C 271570a_100016286323_100010254219 [0,1,0,0,0,0|2,0,0]=3 1031 B14R1.907 COCC=Cc1cnc(c(c1)OC)F 271570a_100016286323_100010214931 [0,1,0,0,0,0|2,0,0]=3 1032 B14R1.907 COCC=Cc1cnc(c(c1)OC)N 271570a_100016286323_106354213024 [0,1,0,0,0,0|2,0,0]=3 1033 B14R1.907 COCC=Cc1cnc(c(n1)OC)N 271570a_100016286323_100009816943 [0,1,0,0,0,0|3,0,0]=4 1034 B14R1.907 COCC=Cc1cnc(c(n1)OC)O 271570a_100016286323_200010365344 [0,1,0,0,0,0|2,0,0]=3 1035 B14R1.907 COCC=Cc1ncc(c(n1)OC)C 271570a_100016286323_100012500371 [0,1,0,0,0,0|3,0,0]=4 1036 B14R1.907 COCC=Cc1ncc(c(n1)OC)F 271570a_100016286323_100012183945 [0,1,0,0,0,0|3,0,0]=4 1037 B14R1.907 COCC=Cc1ncc(c(n1)OC)N 271570a_100016286323_100012122185 [0,1,0,0,0,0|3,0,0]=4 1038 B14R1.907 COCCNc1ccc(c(c1)OC)Br 2230a_100000765947_100011201679 [0,1,0,0,0,0|2,0,1]=4 1039 B14R1.907 COCCNc1ccc(c(c1)OC)Br 34a_100000765947_100011201679 [0,1,0,0,0,0|2,0,1]=4 1040 B14R1.907 COCCNc1ccc(c(c1)OC)C 2230a_100011279678_100011201679 [0,1,0,0,0,0|2,0,1]=4 1041 B14R1.907 COCCNc1ccc(c(c1)OC)C 34a_100011279678_100011201679 [0,1,0,0,0,0|2,0,1]=4 1042 B14R1.907 COCCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100011201679 [0,1,0,0,0,0|2,0,1]=4 1043 B14R1.907 COCCNc1ccc(c(c1)OC)Cl 34a_100000742311_100011201679 [0,1,0,0,0,0|2,0,1]=4 1044 B14R1.907 COCCNc1ccc(c(c1)OC)F 2230a_100000701188_100011201679 [0,1,0,0,0,0|2,0,1]=4 1045 B14R1.907 COCCNc1ccc(c(c1)OC)F 34a_100000701188_100011201679 [0,1,0,0,0,0|2,0,1]=4 1046 B14R1.907 COCCNc1ccc(c(c1)OC)I 34a_100000746945_100011201679 [0,1,0,0,0,0|2,0,1]=4 1047 B14R1.907 COCCNc1ccc(c(c1)OC)O 34a_100000726020_100011201679 [0,1,0,0,0,0|1,0,1]=3 1048 B14R1.907 COCCOc1ccc(c(c1)OC)Br 34a_100011827694_100011201679 [0,1,0,0,0,0|2,0,1]=4 1049 B14R1.907 COCCOc1ccc(c(c1)OC)Br 7a_100011827694_100000233755 [0,1,0,0,0,0|2,0,1]=4 1050 B14R1.907 COCCOc1ccc(c(c1)OC)C 34a_100009865632_100011201679 [0,1,0,0,0,0|2,0,1]=4 1051 B14R1.907 COCCOc1ccc(c(c1)OC)C 7a_100009865632_100000233755 [0,1,0,0,0,0|2,0,1]=4 1052 B14R1.907 COCCOc1ccc(c(c1)OC)Cl 34a_100012186310_100011201679 [0,1,0,0,0,0|2,0,1]=4 1053 B14R1.907 COCCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000233755 [0,1,0,0,0,0|2,0,1]=4 1054 B14R1.907 COCCOc1ccc(c(c1)OC)F 34a_100012001760_100011201679 [0,1,0,0,0,0|2,0,1]=4 1055 B14R1.907 COCCOc1ccc(c(c1)OC)F 7a_100012001760_100000233755 [0,1,0,0,0,0|2,0,1]=4 1056 B14R1.907 COCCOc1ccc(c(c1)OC)N 34a_100015326901_100011201679 [0,1,0,0,0,0|2,0,1]=4 1057 B14R1.907 COCCOc1ccc(c(c1)OC)N 7a_100015326901_100000233755 [0,1,0,0,0,0|2,0,1]=4 1058 B14R1.907 COCCSc1ccc(c(c1)OC)Br 62a_100000233755_100012353699 [0,1,0,0,0,0|2,0,1]=4 1059 B14R1.907 COCCSc1ccc(c(c1)OC)Br 62a_100012353699_100000233755 [0,1,0,0,0,0|2,0,1]=4 1060 B14R1.907 COCCSc1ccc(c(c1)OC)C 62a_100000233755_100011830276 [0,1,0,0,0,0|2,0,1]=4 1061 B14R1.907 COCCSc1ccc(c(c1)OC)C 62a_100011830276_100000233755 [0,1,0,0,0,0|2,0,1]=4 1062 B14R1.907 COCCSc1ccc(c(c1)OC)Cl 62a_100000233755_100011356853 [0,1,0,0,0,0|2,0,1]=4 1063 B14R1.907 COCCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000233755 [0,1,0,0,0,0|2,0,1]=4 1064 B14R1.907 COCCSc1ccc(c(c1)OC)F 62a_100000233755_100011934186 [0,1,0,0,0,0|2,0,1]=4 1065 B14R1.907 COCCSc1ccc(c(c1)OC)F 62a_100011934186_100000233755 [0,1,0,0,0,0|2,0,1]=4 1066 B14R1.907 COCCSc1ccc(c(c1)OC)N 62a_100000233755_100015196925 [0,1,0,0,0,0|2,0,1]=4 1067 B14R1.907 COCCSc1ccc(c(c1)OC)N 62a_100011279103_100000233755 [0,1,0,0,0,0|2,0,1]=4 1068 B14R1.907 COCCSc1ccc(c(c1)OC)O 62a_100000233755_100000694246 [0,1,0,0,0,0|1,0,1]=3 1069 B14R1.907 COCCSc1ccc(c(n1)OC)O 62a_100000233755_100010893133 [0,1,0,0,0,0|2,0,1]=4 1070 B14R1.907 COCNCc1ccc(c(c1)OC)Cl 2230a_100015204853_100000766300 [0,1,0,0,0,0|2,0,1]=4 1071 B14R1.907 COCNCc1ccc(c(c1)OC)F 2230a_100020626639_100000766300 [0,1,0,0,0,0|2,0,1]=4 1072 B14R1.907 COCSCc1ccc(c(c1)OC)Br 62a_100000766300_100010110085 [0,1,0,0,0,0|2,0,1]=4 1073 B14R1.907 COCSCc1ccc(c(c1)OC)Br 62a_100010110085_100000766300 [0,1,0,0,0,0|2,0,1]=4 1074 B14R1.907 COCSCc1ccc(c(c1)OC)Cl 62a_100000766300_200010214485 [0,1,0,0,0,0|2,0,1]=4 1075 B14R1.907 COCSCc1ccc(c(c1)OC)Cl 62a_200010214485_100000766300 [0,1,0,0,0,0|2,0,1]=4 1076 B14R1.907 COCSCc1ccc(c(c1)OC)F 62a_100000766300_100012349856 [0,1,0,0,0,0|2,0,1]=4 1077 B14R1.907 COCSCc1ccc(c(c1)OC)F 62a_100012349856_100000766300 [0,1,0,0,0,0|2,0,1]=4 1078 B14R1.907 COc1cc(ccc1Br)CNCCO 207a_100000210304_100010244714 [0,1,0,0,0,0|1,0,2]=4 1079 B14R1.907 COc1cc(ccc1Br)CNCCO 2230a_100016997473_100010110085 [0,1,0,0,0,0|1,0,2]=4 1080 B14R1.907 COc1cc(ccc1Br)CNCCO 270004a_100000210304_100010244714 [0,1,0,0,0,0|1,0,2]=4 1081 B14R1.907 COc1cc(ccc1Br)CNCCO 34a_100016990907_100010110085 [0,1,0,0,0,0|1,0,2]=4 1082 B14R1.907 COc1cc(ccc1Br)COCCO 34a_100010234685_100000211926 [0,1,0,0,0,0|1,0,2]=4 1083 B14R1.907 COc1cc(ccc1Br)COCCO 7a_100010234685_100000211926 [0,1,0,0,0,0|1,0,2]=4 1084 B14R1.907 COc1cc(ccc1Br)CSCCO 62a_100000211926_100010110085 [0,1,0,0,0,0|1,0,2]=4 1085 B14R1.907 COc1cc(ccc1Br)CSCCO 62a_100010110085_100000211926 [0,1,0,0,0,0|1,0,2]=4 1086 B14R1.907 COc1cc(ccc1Br)NCCCO 2230a_100000765947_100000230001 [0,1,0,0,0,0|1,0,2]=4 1087 B14R1.907 COc1cc(ccc1Br)NCCCO 34a_100000765947_100000230001 [0,1,0,0,0,0|1,0,2]=4 1088 B14R1.907 COc1cc(ccc1Br)OCCCO 34a_100011827694_100000230001 [0,1,0,0,0,0|1,0,2]=4 1089 B14R1.907 COc1cc(ccc1Br)OCCCO 7a_100011827694_100011215043 [0,1,0,0,0,0|1,0,2]=4 1090 B14R1.907 COc1cc(ccc1Br)SCCCO 62a_100011215043_100012353699 [0,1,0,0,0,0|1,0,2]=4 1091 B14R1.907 COc1cc(ccc1Br)SCCCO 62a_100012353699_100011215043 [0,1,0,0,0,0|1,0,2]=4 1092 B14R1.907 COc1cc(ccc1C)CNCCO 207a_100000210304_100000719150 [0,1,0,0,0,0|1,0,2]=4 1093 B14R1.907 COc1cc(ccc1C)CNCCO 270004a_100000210304_100000719150 [0,1,0,0,0,0|1,0,2]=4 1094 B14R1.907 COc1cc(ccc1C)COCCO 34a_100000752651_100000211926 [0,1,0,0,0,0|1,0,2]=4 1095 B14R1.907 COc1cc(ccc1C)COCCO 7a_100000752651_100000211926 [0,1,0,0,0,0|1,0,2]=4 1096 B14R1.907 COc1cc(ccc1C)NCCCO 2230a_100011279678_100000230001 [0,1,0,0,0,0|1,0,2]=4 1097 B14R1.907 COc1cc(ccc1C)NCCCO 34a_100011279678_100000230001 [0,1,0,0,0,0|1,0,2]=4 1098 B14R1.907 COc1cc(ccc1C)OCCCO 34a_100009865632_100000230001 [0,1,0,0,0,0|1,0,2]=4 1099 B14R1.907 COc1cc(ccc1C)OCCCO 7a_100009865632_100011215043 [0,1,0,0,0,0|1,0,2]=4 1100 B14R1.907 COc1cc(ccc1C)SCCCO 62a_100011215043_100011830276 [0,1,0,0,0,0|1,0,2]=4 1101 B14R1.907 COc1cc(ccc1C)SCCCO 62a_100011830276_100011215043 [0,1,0,0,0,0|1,0,2]=4 1102 B14R1.907 COc1cc(ccc1Cl)CNCCO 207a_100000210304_100011998524 [0,1,0,0,0,0|1,0,2]=4 1103 B14R1.907 COc1cc(ccc1Cl)CNCCO 2230a_100015204853_100000211926 [0,1,0,0,0,0|1,0,2]=4 1104 B14R1.907 COc1cc(ccc1Cl)CNCCO 2230a_100016997473_200010214485 [0,1,0,0,0,0|1,0,2]=4 1105 B14R1.907 COc1cc(ccc1Cl)CNCCO 270004a_100000210304_100011998524 [0,1,0,0,0,0|1,0,2]=4 1106 B14R1.907 COc1cc(ccc1Cl)CNCCO 34a_100015204853_100000211926 [0,1,0,0,0,0|1,0,2]=4 1107 B14R1.907 COc1cc(ccc1Cl)CNCCO 34a_100016990907_200010214485 [0,1,0,0,0,0|1,0,2]=4 1108 B14R1.907 COc1cc(ccc1Cl)COCCO 34a_100012179228_100000211926 [0,1,0,0,0,0|1,0,2]=4 1109 B14R1.907 COc1cc(ccc1Cl)CSCCO 62a_100000211926_200010214485 [0,1,0,0,0,0|1,0,2]=4 1110 B14R1.907 COc1cc(ccc1Cl)CSCCO 62a_200010214485_100000211926 [0,1,0,0,0,0|1,0,2]=4 1111 B14R1.907 COc1cc(ccc1Cl)NCCCO 2230a_100000742311_100000230001 [0,1,0,0,0,0|1,0,2]=4 1112 B14R1.907 COc1cc(ccc1Cl)NCCCO 34a_100000742311_100000230001 [0,1,0,0,0,0|1,0,2]=4 1113 B14R1.907 COc1cc(ccc1Cl)OCCCO 34a_100012186310_100000230001 [0,1,0,0,0,0|1,0,2]=4 1114 B14R1.907 COc1cc(ccc1Cl)OCCCO 7a_100012186310_100011215043 [0,1,0,0,0,0|1,0,2]=4 1115 B14R1.907 COc1cc(ccc1Cl)SCCCO 62a_100011215043_100011356853 [0,1,0,0,0,0|1,0,2]=4 1116 B14R1.907 COc1cc(ccc1Cl)SCCCO 62a_100011356853_100011215043 [0,1,0,0,0,0|1,0,2]=4 1117 B14R1.907 COc1cc(ccc1F)CNCCO 207a_100000210304_100000692873 [0,1,0,0,0,0|1,0,2]=4 1118 B14R1.907 COc1cc(ccc1F)CNCCO 2230a_100016997473_100012349856 [0,1,0,0,0,0|1,0,2]=4 1119 B14R1.907 COc1cc(ccc1F)CNCCO 2230a_100020626639_100000211926 [0,1,0,0,0,0|1,0,2]=4 1120 B14R1.907 COc1cc(ccc1F)CNCCO 270004a_100000210304_100000692873 [0,1,0,0,0,0|1,0,2]=4 1121 B14R1.907 COc1cc(ccc1F)CNCCO 34a_100016990907_100012349856 [0,1,0,0,0,0|1,0,2]=4 1122 B14R1.907 COc1cc(ccc1F)CNCCO 34a_100020626639_100000211926 [0,1,0,0,0,0|1,0,2]=4 1123 B14R1.907 COc1cc(ccc1F)COCCO 34a_100000692429_100000211926 [0,1,0,0,0,0|1,0,2]=4 1124 B14R1.907 COc1cc(ccc1F)COCCO 7a_100000692429_100000211926 [0,1,0,0,0,0|1,0,2]=4 1125 B14R1.907 COc1cc(ccc1F)CSCCO 62a_100000211926_100012349856 [0,1,0,0,0,0|1,0,2]=4 1126 B14R1.907 COc1cc(ccc1F)CSCCO 62a_100012349856_100000211926 [0,1,0,0,0,0|1,0,2]=4 1127 B14R1.907 COc1cc(ccc1F)NCCCO 2230a_100000701188_100000230001 [0,1,0,0,0,0|1,0,2]=4 1128 B14R1.907 COc1cc(ccc1F)NCCCO 34a_100000701188_100000230001 [0,1,0,0,0,0|1,0,2]=4 1129 B14R1.907 COc1cc(ccc1F)OCCCO 34a_100012001760_100000230001 [0,1,0,0,0,0|1,0,2]=4 1130 B14R1.907 COc1cc(ccc1F)OCCCO 7a_100012001760_100011215043 [0,1,0,0,0,0|1,0,2]=4 1131 B14R1.907 COc1cc(ccc1F)SCCCO 62a_100011215043_100011934186 [0,1,0,0,0,0|1,0,2]=4 1132 B14R1.907 COc1cc(ccc1F)SCCCO 62a_100011934186_100011215043 [0,1,0,0,0,0|1,0,2]=4 1133 B14R1.907 COc1cc(ccc1I)NCCCO 34a_100000746945_100000230001 [0,1,0,0,0,0|1,0,2]=4 1134 B14R1.907 COc1cc(ccc1N)COCCO 34a_100000087641_100000211926 [0,1,0,0,0,0|1,0,2]=4 1135 B14R1.907 COc1cc(ccc1N)OCCCO 34a_100015326901_100000230001 [0,1,0,0,0,0|1,0,2]=4 1136 B14R1.907 COc1cc(ccc1N)OCCCO 7a_100015326901_100011215043 [0,1,0,0,0,0|1,0,2]=4 1137 B14R1.907 COc1cc(ccc1N)SCCCO 62a_100011215043_100015196925 [0,1,0,0,0,0|1,0,2]=4 1138 B14R1.907 COc1cc(ccc1N)SCCCO 62a_100011279103_100011215043 [0,1,0,0,0,0|1,0,2]=4 1139 B14R1.907 COc1cc(ccc1O)CCNCF 34a_100000756042_100015361967 [0,1,0,0,0,0|1,0,2]=4 1140 B14R1.907 COc1cc(ccc1O)CCSCF 62a_100015361967_100010741665 [0,1,0,0,0,0|1,0,2]=4 1141 B14R1.907 COc1cc(ccc1O)CNCC=O 34a_100000185554_200009817547 [0,1,0,0,0,0|1,0,2]=4 1142 B14R1.907 COc1cc(ccc1O)CNCCF 34a_100000185554_100011217306 [0,1,0,0,0,0|1,0,2]=4 1143 B14R1.907 COc1cc(ccc1O)CNCCO 34a_100000185554_100000211926 [0,1,0,0,0,0|0,0,2]=3 1144 B14R1.907 COc1cc(ccc1O)CNCSC 34a_100000185554_100011218213 [0,1,0,0,0,0|1,1,1]=4 1145 B14R1.907 COc1cc(ccc1O)NCCCF 34a_100000726020_100011934791 [0,1,0,0,0,0|1,0,2]=4 1146 B14R1.907 COc1cc(ccc1O)NCCCO 34a_100000726020_100000230001 [0,1,0,0,0,0|0,0,2]=3 1147 B14R1.907 COc1cc(ccc1O)NCCSC 34a_100000726020_100000212216 [0,1,0,0,0,0|1,1,1]=4 1148 B14R1.907 COc1cc(ccc1O)SCCC#N 62a_100011215226_100000694246 [0,1,0,0,0,0|2,0,1]=4 1149 B14R1.907 COc1cc(ccc1O)SCCCF 62a_100011934791_100000694246 [0,1,0,0,0,0|1,0,2]=4 1150 B14R1.907 COc1cc(ccc1O)SCCCO 62a_100011215043_100000694246 [0,1,0,0,0,0|0,0,2]=3 1151 B14R1.907 COc1cc(ccc1O)SCCSC 62a_100000212216_100000694246 [0,1,0,0,0,0|1,1,1]=4 1152 B14R1.907 COc1nc(ccc1O)SCCCO 62a_100011215043_100010893133 [0,1,0,0,0,0|1,0,2]=4 1153 B14R1.1362 COc1c(ccc(c1F)NCCO)F 34a_100137314619_100000211926 [0,1,0,0,0,0|2,0,1]=4 1154 B14R1.1362 COc1c(ccc(c1F)OCCO)F 34a_100000062073_100000211926 [0,1,0,0,0,0|2,0,1]=4 1155 B14R1.1362 COc1c(ccc(c1F)OCCO)F 7a_100000062073_100000211926 [0,1,0,0,0,0|2,0,1]=4 1156 B14R1.1362 COc1c(ccc(c1F)SCCO)Cl 62a_100000211926_200135222481 [0,1,0,0,0,0|2,0,1]=4 1157 B14R1.1362 COc1c(ccc(c1F)SCCO)Cl 62a_200135222481_100000211926 [0,1,0,0,0,0|2,0,1]=4 1158 B14R1.1362 COc1c(ccc(c1F)SCCO)N 62a_100000211926_100010734149 [0,1,0,0,0,0|2,0,1]=4 1159 B14R1.1362 COc1c(ccc(c1F)SCCO)N 62a_100010734149_100000211926 [0,1,0,0,0,0|2,0,1]=4 1160 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000185746 [0,1,0,0,0,0|2,0,1]=4 1161 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000210414_100010110085 [0,1,0,0,0,0|2,0,1]=4 1162 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Br 1458a_200010002685_100000210202 [0,1,0,0,0,0|2,0,1]=4 1163 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000210414_200010214485 [0,1,0,0,0,0|2,0,1]=4 1164 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)F 1458a_100000117344_100000210202 [0,1,0,0,0,0|2,0,1]=4 1165 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)F 1458a_100000210414_100012349856 [0,1,0,0,0,0|2,0,1]=4 1166 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)O 1458a_100000032101_100000210202 [0,1,0,0,0,0|1,0,1]=3 1167 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Br 11a_100000765947_100000210414 [0,1,0,0,0,0|3,0,0]=4 1168 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Br 1626a_100000765947_100000210414 [0,1,0,0,0,0|3,0,0]=4 1169 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Br 22a_100000765947_100000210414 [0,1,0,0,0,0|3,0,0]=4 1170 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Br 527a_100000765947_100000210414 [0,1,0,0,0,0|3,0,0]=4 1171 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)C 11a_100011279678_100000210414 [0,1,0,0,0,0|3,0,0]=4 1172 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)C 1626a_100011279678_100000210414 [0,1,0,0,0,0|3,0,0]=4 1173 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)C 22a_100011279678_100000210414 [0,1,0,0,0,0|3,0,0]=4 1174 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)C 527a_100011279678_100000210414 [0,1,0,0,0,0|3,0,0]=4 1175 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Cl 11a_100000742311_100000210414 [0,1,0,0,0,0|3,0,0]=4 1176 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Cl 1626a_100000742311_100000210414 [0,1,0,0,0,0|3,0,0]=4 1177 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Cl 22a_100000742311_100000210414 [0,1,0,0,0,0|3,0,0]=4 1178 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)Cl 527a_100000742311_100000210414 [0,1,0,0,0,0|3,0,0]=4 1179 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)F 11a_100000701188_100000210414 [0,1,0,0,0,0|3,0,0]=4 1180 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)F 1626a_100000701188_100000210414 [0,1,0,0,0,0|3,0,0]=4 1181 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)F 22a_100000701188_100000210414 [0,1,0,0,0,0|3,0,0]=4 1182 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)F 527a_100000701188_100000210414 [0,1,0,0,0,0|3,0,0]=4 1183 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)I 11a_100000746945_100000210414 [0,1,0,0,0,0|3,0,0]=4 1184 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)I 1626a_100000746945_100000210414 [0,1,0,0,0,0|3,0,0]=4 1185 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)I 22a_100000746945_100000210414 [0,1,0,0,0,0|3,0,0]=4 1186 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)I 527a_100000746945_100000210414 [0,1,0,0,0,0|3,0,0]=4 1187 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000210414 [0,1,0,0,0,0|2,0,0]=3 1188 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100000210414 [0,1,0,0,0,0|2,0,0]=3 1189 B14R1.3405 CCC(C)Nc1ccc(c(c1)OC)O 34a_100000726020_100011215416 [0,1,0,0,0,0|2,0,1]=4 1190 B14R1.3405 CCC(C)Sc1ccc(c(c1)OC)O 62a_100000758301_100000694246 [0,1,0,0,0,0|2,0,1]=4 1191 B14R1.3405 CCc1cc(ccc1Br)NC(=O)CO 22a_100010109747_100000210174 [0,1,0,0,0,0|3,0,0]=4 1192 B14R1.3405 CCc1cc(ccc1Br)NC(=O)CO 527a_100010109747_100000210174 [0,1,0,0,0,0|3,0,0]=4 1193 B14R1.3405 CCc1cc(ccc1O)SC(C)CO 62a_100012180447_100012338938 [0,1,0,0,0,0|2,0,1]=4 1194 B14R1.3405 CCc1cc(ccc1O)S[C@H](C)CO 62a_100016084084_100012338938 [0,1,0,0,0,0|2,0,1]=4 1195 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)O 240690a_100102657272_100000032101 [0,1,0,0,0,0|2,0,1]=4 1196 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)O 527a_100102657272_100000032101 [0,1,0,0,0,0|2,0,1]=4 1197 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)O 2430a_100000726020_100102657272 [0,1,0,0,0,0|3,0,0]=4 1198 B14R1.3405 COc1cc(ccc1Br)CC(=O)CF 1458a_200010002685_100015361967 [0,1,0,0,0,0|2,0,1]=4 1199 B14R1.3405 COc1cc(ccc1Br)CC(=O)CO 1458a_100000210174_100010110085 [0,1,0,0,0,0|1,0,1]=3 1200 B14R1.3405 COc1cc(ccc1Br)NC(=O)CO 22a_100000765947_100000210174 [0,1,0,0,0,0|2,0,0]=3 1201 B14R1.3405 COc1cc(ccc1Br)NC(=O)CO 527a_100000765947_100000210174 [0,1,0,0,0,0|2,0,0]=3 1202 B14R1.3405 COc1cc(ccc1Br)NC(C)CO 2230a_100000765947_100012180447 [0,1,0,0,0,0|2,0,1]=4 1203 B14R1.3405 COc1cc(ccc1Br)NC(C)CO 34a_100000765947_100012180447 [0,1,0,0,0,0|2,0,1]=4 1204 B14R1.3405 COc1cc(ccc1Br)OC(C)CO 34a_100011827694_100012180447 [0,1,0,0,0,0|2,0,1]=4 1205 B14R1.3405 COc1cc(ccc1Br)OC(C)CO 7a_100011827694_100012180447 [0,1,0,0,0,0|2,0,1]=4 1206 B14R1.3405 COc1cc(ccc1Br)SC(C)CO 62a_100012180447_100012353699 [0,1,0,0,0,0|2,0,1]=4 1207 B14R1.3405 COc1cc(ccc1Br)S[C@H](C)CO 62a_100012353699_100016084084 [0,1,0,0,0,0|2,0,1]=4 1208 B14R1.3405 COc1cc(ccc1Br)S[C@H](C)CO 62a_100016084084_100012353699 [0,1,0,0,0,0|2,0,1]=4 1209 B14R1.3405 COc1cc(ccc1C)C=C(C)C#N 6a_100000719150_200000212204 [0,1,0,0,0,0|2,0,1]=4 1210 B14R1.3405 COc1cc(ccc1C)C=C(F)C#N 6a_100000719150_200000032654 [0,1,0,0,0,0|2,0,1]=4 1211 B14R1.3405 COc1cc(ccc1C)NC(=O)CO 22a_100011279678_100000210174 [0,1,0,0,0,0|2,0,0]=3 1212 B14R1.3405 COc1cc(ccc1C)NC(=O)CO 527a_100011279678_100000210174 [0,1,0,0,0,0|2,0,0]=3 1213 B14R1.3405 COc1cc(ccc1C)NC(C)CO 2230a_100011279678_100012180447 [0,1,0,0,0,0|2,0,1]=4 1214 B14R1.3405 COc1cc(ccc1C)NC(C)CO 34a_100011279678_100012180447 [0,1,0,0,0,0|2,0,1]=4 1215 B14R1.3405 COc1cc(ccc1C)OC(C)CO 34a_100009865632_100012180447 [0,1,0,0,0,0|2,0,1]=4 1216 B14R1.3405 COc1cc(ccc1C)OC(C)CO 7a_100009865632_100012180447 [0,1,0,0,0,0|2,0,1]=4 1217 B14R1.3405 COc1cc(ccc1C)SC(C)CO 62a_100012180447_100011830276 [0,1,0,0,0,0|2,0,1]=4 1218 B14R1.3405 COc1cc(ccc1C)S[C@H](C)CO 62a_100011830276_100016084084 [0,1,0,0,0,0|2,0,1]=4 1219 B14R1.3405 COc1cc(ccc1C)S[C@H](C)CO 62a_100016084084_100011830276 [0,1,0,0,0,0|2,0,1]=4 1220 B14R1.3405 COc1cc(ccc1Cl)C=C(C)C#N 6a_100011998524_200000212204 [0,1,0,0,0,0|2,0,1]=4 1221 B14R1.3405 COc1cc(ccc1Cl)C=C(F)C#N 6a_100011998524_200000032654 [0,1,0,0,0,0|2,0,1]=4 1222 B14R1.3405 COc1cc(ccc1Cl)CC(=O)CO 1458a_100000210174_200010214485 [0,1,0,0,0,0|1,0,1]=3 1223 B14R1.3405 COc1cc(ccc1Cl)NC(=O)CO 22a_100000742311_100000210174 [0,1,0,0,0,0|2,0,0]=3 1224 B14R1.3405 COc1cc(ccc1Cl)NC(=O)CO 527a_100000742311_100000210174 [0,1,0,0,0,0|2,0,0]=3 1225 B14R1.3405 COc1cc(ccc1Cl)NC(C)CO 2230a_100000742311_100012180447 [0,1,0,0,0,0|2,0,1]=4 1226 B14R1.3405 COc1cc(ccc1Cl)NC(C)CO 34a_100000742311_100012180447 [0,1,0,0,0,0|2,0,1]=4 1227 B14R1.3405 COc1cc(ccc1Cl)OC(C)CO 34a_100012186310_100012180447 [0,1,0,0,0,0|2,0,1]=4 1228 B14R1.3405 COc1cc(ccc1Cl)OC(C)CO 7a_100012186310_100012180447 [0,1,0,0,0,0|2,0,1]=4 1229 B14R1.3405 COc1cc(ccc1Cl)SC(C)CO 62a_100012180447_100011356853 [0,1,0,0,0,0|2,0,1]=4 1230 B14R1.3405 COc1cc(ccc1Cl)S[C@H](C)CO 62a_100011356853_100016084084 [0,1,0,0,0,0|2,0,1]=4 1231 B14R1.3405 COc1cc(ccc1Cl)S[C@H](C)CO 62a_100016084084_100011356853 [0,1,0,0,0,0|2,0,1]=4 1232 B14R1.3405 COc1cc(ccc1F)C=C(C)C#N 6a_100000692873_200000212204 [0,1,0,0,0,0|2,0,1]=4 1233 B14R1.3405 COc1cc(ccc1F)C=C(F)C#N 6a_100000692873_200000032654 [0,1,0,0,0,0|2,0,1]=4 1234 B14R1.3405 COc1cc(ccc1F)CC(=O)CF 1458a_100000117344_100015361967 [0,1,0,0,0,0|2,0,1]=4 1235 B14R1.3405 COc1cc(ccc1F)CC(=O)CO 1458a_100000210174_100012349856 [0,1,0,0,0,0|1,0,1]=3 1236 B14R1.3405 COc1cc(ccc1F)NC(=O)CO 22a_100000701188_100000210174 [0,1,0,0,0,0|2,0,0]=3 1237 B14R1.3405 COc1cc(ccc1F)NC(=O)CO 527a_100000701188_100000210174 [0,1,0,0,0,0|2,0,0]=3 1238 B14R1.3405 COc1cc(ccc1F)NC(C)CO 2230a_100000701188_100012180447 [0,1,0,0,0,0|2,0,1]=4 1239 B14R1.3405 COc1cc(ccc1F)NC(C)CO 34a_100000701188_100012180447 [0,1,0,0,0,0|2,0,1]=4 1240 B14R1.3405 COc1cc(ccc1F)OC(C)CO 34a_100012001760_100012180447 [0,1,0,0,0,0|2,0,1]=4 1241 B14R1.3405 COc1cc(ccc1F)OC(C)CO 7a_100012001760_100012180447 [0,1,0,0,0,0|2,0,1]=4 1242 B14R1.3405 COc1cc(ccc1F)SC(C)CO 62a_100012180447_100011934186 [0,1,0,0,0,0|2,0,1]=4 1243 B14R1.3405 COc1cc(ccc1F)S[C@H](C)CO 62a_100011934186_100016084084 [0,1,0,0,0,0|2,0,1]=4 1244 B14R1.3405 COc1cc(ccc1F)S[C@H](C)CO 62a_100016084084_100011934186 [0,1,0,0,0,0|2,0,1]=4 1245 B14R1.3405 COc1cc(ccc1I)NC(=O)CO 22a_100000746945_100000210174 [0,1,0,0,0,0|2,0,0]=3 1246 B14R1.3405 COc1cc(ccc1I)NC(=O)CO 527a_100000746945_100000210174 [0,1,0,0,0,0|2,0,0]=3 1247 B14R1.3405 COc1cc(ccc1I)NC(C)CO 34a_100000746945_100012180447 [0,1,0,0,0,0|2,0,1]=4 1248 B14R1.3405 COc1cc(ccc1N)OC(C)CO 34a_100015326901_100012180447 [0,1,0,0,0,0|2,0,1]=4 1249 B14R1.3405 COc1cc(ccc1N)OC(C)CO 7a_100015326901_100012180447 [0,1,0,0,0,0|2,0,1]=4 1250 B14R1.3405 COc1cc(ccc1N)SC(C)CO 62a_100012180447_100015196925 [0,1,0,0,0,0|2,0,1]=4 1251 B14R1.3405 COc1cc(ccc1N)S[C@H](C)CO 62a_100011279103_100016084084 [0,1,0,0,0,0|2,0,1]=4 1252 B14R1.3405 COc1cc(ccc1N)S[C@H](C)CO 62a_100016084084_100015196925 [0,1,0,0,0,0|2,0,1]=4 1253 B14R1.3405 COc1cc(ccc1O)CC(=O)CF 1458a_100000032101_100015361967 [0,1,0,0,0,0|1,0,1]=3 1254 B14R1.3405 COc1cc(ccc1O)NC(=O)CO 22a_100000726020_100000210174 [0,1,0,0,0,0|1,0,0]=2 1255 B14R1.3405 COc1cc(ccc1O)NC(=O)CO 527a_100000726020_100000210174 [0,1,0,0,0,0|1,0,0]=2 1256 B14R1.3405 COc1cc(ccc1O)NC(C)CO 34a_100000726020_100012180447 [0,1,0,0,0,0|1,0,1]=3 1257 B14R1.3405 COc1cc(ccc1O)SC(C)CO 62a_100012180447_100000694246 [0,1,0,0,0,0|1,0,1]=3 1258 B14R1.3405 COc1cc(ccc1O)S[C@H](C)CO 62a_100016084084_100000694246 [0,1,0,0,0,0|1,0,1]=3 1259 B14R1.3405 COc1nc(ccc1Br)CC(=O)CO 1458a_100000210174_200010066506 [0,1,0,0,0,0|2,0,1]=4 1260 B14R1.3405 COc1nc(ccc1O)SC(C)CO 62a_100012180447_100010893133 [0,1,0,0,0,0|2,0,1]=4 1261 B14R1.3405 COc1nc(ccc1O)S[C@H](C)CO 62a_100016084084_100010893133 [0,1,0,0,0,0|2,0,1]=4 1262 B14R1.3405 N#Cc1cc(ccc1O)NC(=O)CO 22a_100011249283_100000210174 [0,1,0,0,0,0|3,0,0]=4 1263 B14R1.3405 N#Cc1cc(ccc1O)NC(=O)CO 527a_100011249283_100000210174 [0,1,0,0,0,0|3,0,0]=4 1264 B14R1.4435 CCCCc1cc(c(cc1F)O)OC 271570a_100020621405_100010189133 [0,1,0,0,0,0|1,0,2]=4 1265 B14R1.4435 CCCSc1cc(c(cc1F)O)OC 62a_100000210303_100010189133 [0,1,0,0,0,0|2,0,1]=4 1266 B14R1.4435 COc1cc(c(cc1Br)Br)NCCO 34a_100000718616_100000211926 [0,1,0,0,0,0|2,0,1]=4 1267 B14R1.4435 COc1cc(c(cc1Br)Br)NCCO 7a_100000718616_100000211926 [0,1,0,0,0,0|2,0,1]=4 1268 B14R1.4435 COc1cc(c(cc1Br)Br)SCCO 62a_100000211926_200014006352 [0,1,0,0,0,0|2,0,1]=4 1269 B14R1.4435 COc1cc(c(cc1Br)Br)SCCO 62a_200014006352_100000211926 [0,1,0,0,0,0|2,0,1]=4 1270 B14R1.4435 COc1cc(c(cc1Br)C)NCCO 34a_100010232211_100000211926 [0,1,0,0,0,0|2,0,1]=4 1271 B14R1.4435 COc1cc(c(cc1Br)C)NCCO 7a_100010232211_100000211926 [0,1,0,0,0,0|2,0,1]=4 1272 B14R1.4435 COc1cc(c(cc1Br)Cl)NCCO 34a_100012361290_100000211926 [0,1,0,0,0,0|2,0,1]=4 1273 B14R1.4435 COc1cc(c(cc1Br)Cl)NCCO 7a_100012361290_100000211926 [0,1,0,0,0,0|2,0,1]=4 1274 B14R1.4435 COc1cc(c(cc1C)Br)NCCO 34a_100010244135_100000211926 [0,1,0,0,0,0|2,0,1]=4 1275 B14R1.4435 COc1cc(c(cc1C)Br)NCCO 7a_100010244135_100000211926 [0,1,0,0,0,0|2,0,1]=4 1276 B14R1.4435 COc1cc(c(cc1C)N)SCCO 62a_100000211926_200010584344 [0,1,0,0,0,0|2,0,1]=4 1277 B14R1.4435 COc1cc(c(cc1C)N)SCCO 62a_200010584344_100000211926 [0,1,0,0,0,0|2,0,1]=4 1278 B14R1.4435 COc1cc(c(cc1Cl)Br)NCCO 34a_100013022580_100000211926 [0,1,0,0,0,0|2,0,1]=4 1279 B14R1.4435 COc1cc(c(cc1Cl)Br)NCCO 7a_100013022580_100000211926 [0,1,0,0,0,0|2,0,1]=4 1280 B14R1.4435 COc1cc(c(cc1Cl)C)NCCO 2230a_100009858536_100000211926 [0,1,0,0,0,0|2,0,1]=4 1281 B14R1.4435 COc1cc(c(cc1Cl)C)NCCO 34a_100009858536_100000211926 [0,1,0,0,0,0|2,0,1]=4 1282 B14R1.4435 COc1cc(c(cc1Cl)C)NCCO 7a_100009858536_100000211926 [0,1,0,0,0,0|2,0,1]=4 1283 B14R1.4435 COc1cc(c(cc1Cl)Cl)NCCO 34a_100011830341_100000211926 [0,1,0,0,0,0|2,0,1]=4 1284 B14R1.4435 COc1cc(c(cc1Cl)F)NCCO 34a_100009872666_100000211926 [0,1,0,0,0,0|2,0,1]=4 1285 B14R1.4435 COc1cc(c(cc1Cl)F)NCCO 7a_100009872666_100000211926 [0,1,0,0,0,0|2,0,1]=4 1286 B14R1.4435 COc1cc(c(cc1Cl)F)SCCO 62a_100000211926_100010739614 [0,1,0,0,0,0|2,0,1]=4 1287 B14R1.4435 COc1cc(c(cc1Cl)F)SCCO 62a_100010739614_100000211926 [0,1,0,0,0,0|2,0,1]=4 1288 B14R1.4435 COc1cc(c(cc1F)Br)NCCO 34a_100010208193_100000211926 [0,1,0,0,0,0|2,0,1]=4 1289 B14R1.4435 COc1cc(c(cc1F)Br)NCCO 7a_100010208193_100000211926 [0,1,0,0,0,0|2,0,1]=4 1290 B14R1.4435 COc1cc(c(cc1F)C)SCCO 62a_100000211926_100011009880 [0,1,0,0,0,0|2,0,1]=4 1291 B14R1.4435 COc1cc(c(cc1F)C)SCCO 62a_100011009880_100000211926 [0,1,0,0,0,0|2,0,1]=4 1292 B14R1.4435 COc1cc(c(cc1F)Cl)NCCO 34a_100009958774_100000211926 [0,1,0,0,0,0|2,0,1]=4 1293 B14R1.4435 COc1cc(c(cc1F)Cl)NCCO 7a_100009958774_100000211926 [0,1,0,0,0,0|2,0,1]=4 1294 B14R1.4435 COc1cc(c(cc1F)F)SCCO 62a_100000211926_200015541288 [0,1,0,0,0,0|2,0,1]=4 1295 B14R1.4435 COc1cc(c(cc1F)F)SCCO 62a_200015541288_100000211926 [0,1,0,0,0,0|2,0,1]=4 1296 B14R1.4435 COc1cc(c(cc1F)N)SCCO 62a_100000211926_100010365326 [0,1,0,0,0,0|2,0,1]=4 1297 B14R1.4435 COc1cc(c(cc1F)N)SCCO 62a_100010365326_100000211926 [0,1,0,0,0,0|2,0,1]=4 1298 B14R1.4435 COc1cc(c(cc1N)C)SCCO 62a_100000211926_100010141321 [0,1,0,0,0,0|2,0,1]=4 1299 B14R1.4435 COc1cc(c(cc1N)C)SCCO 62a_100010141321_100000211926 [0,1,0,0,0,0|2,0,1]=4 1300 B14R1.4435 COc1cc(c(cc1N)F)SCCO 62a_100000211926_100012766639 [0,1,0,0,0,0|2,0,1]=4 1301 B14R1.4435 COc1cc(c(cc1N)F)SCCO 62a_100012766639_100000211926 [0,1,0,0,0,0|2,0,1]=4 1302 B14R1.4435 COc1cc(c(cc1O)F)SCCF 62a_100011217306_100010189133 [0,1,0,0,0,0|2,0,1]=4 1303 B14R1.4435 COc1cc(c(cc1O)F)SCCO 62a_100000211926_100010189133 [0,1,0,0,0,0|1,0,1]=3 1304 B14R1.7499 CCCSc1cc(c(c(c1)OC)O)O 62a_100000210303_200159242197 [0,1,0,0,0,0|2,0,1]=4 1305 B14R1.7499 CCc1cc(cc(c1O)C)SCCO 62a_100000211926_100010659108 [0,1,0,0,0,0|2,0,1]=4 1306 B14R1.7499 COc1cc(cc(c1Cl)Br)NCCO 2230a_100010131419_100000211926 [0,1,0,0,0,0|2,0,1]=4 1307 B14R1.7499 COc1cc(cc(c1Cl)Br)NCCO 34a_100010131419_100000211926 [0,1,0,0,0,0|2,0,1]=4 1308 B14R1.7499 COc1cc(cc(c1Cl)Br)NCCO 7a_100010131419_100000211926 [0,1,0,0,0,0|2,0,1]=4 1309 B14R1.7499 COc1cc(cc(c1F)C)SCCO 62a_100000211926_100010271686 [0,1,0,0,0,0|2,0,1]=4 1310 B14R1.7499 COc1cc(cc(c1F)C)SCCO 62a_100010271686_100000211926 [0,1,0,0,0,0|2,0,1]=4 1311 B14R1.7499 COc1cc(cc(c1F)F)SCCO 62a_100000211926_100011218012 [0,1,0,0,0,0|2,0,1]=4 1312 B14R1.7499 COc1cc(cc(c1F)F)SCCO 62a_100011218012_100000211926 [0,1,0,0,0,0|2,0,1]=4 1313 B14R1.7499 COc1cc(cc(c1F)O)SCCO 62a_100000211926_200015524394 [0,1,0,0,0,0|2,0,1]=4 1314 B14R1.7499 COc1cc(cc(c1F)O)SCCO 62a_200015524394_100000211926 [0,1,0,0,0,0|2,0,1]=4 1315 B14R1.7499 COc1cc(cc(c1N)C)SCCO 62a_100000211926_100000741850 [0,1,0,0,0,0|2,0,1]=4 1316 B14R1.7499 COc1cc(cc(c1N)C)SCCO 62a_100000741850_100000211926 [0,1,0,0,0,0|2,0,1]=4 1317 B14R1.7499 COc1cc(cc(c1O)O)SCCF 62a_100011217306_200159242197 [0,1,0,0,0,0|2,0,1]=4 1318 B14R1.7499 COc1cc(cc(c1O)O)SCCO 62a_100000211926_200159242197 [0,1,0,0,0,0|1,0,1]=3 1319 B14R2.203 CNc1c(ccc2c1cccc2)O 34a_100000007056_200000210301 [0,0,0,1,0,0|2,0,1]=4 1320 B14R2.203 COc1c(ccc2c1cccc2)Br 34a_100009996032_200000210301 [0,0,0,1,0,0|2,0,1]=4 1321 B14R2.203 COc1c(ccc2c1cccc2)Br 7a_100009996032_200000210301 [0,0,0,1,0,0|2,0,1]=4 1322 B14R2.203 COc1c(ccc2c1cccc2)C 34a_100000039261_200000210301 [0,0,0,1,0,0|2,0,1]=4 1323 B14R2.203 COc1c(ccc2c1cccc2)C 7a_100000039261_200000210301 [0,0,0,1,0,0|2,0,1]=4 1324 B14R2.203 COc1c(ccc2c1cccc2)N 34a_100000007060_200000210301 [0,0,0,1,0,0|2,0,1]=4 1325 B14R2.203 COc1c(ccc2c1cccc2)O 271570a_203496583355_100010089960 [0,0,0,1,0,0|1,0,1]=3 1326 B14R2.203 COc1c(ccc2c1nccc2)Br 34a_100009816563_200000210301 [0,0,0,1,0,0|2,0,1]=4 1327 B14R2.203 COc1c(ccc2c1nccc2)Cl 34a_100000700379_200000210301 [0,0,0,1,0,0|2,0,1]=4 1328 B14R2.203 COc1c(ccc2c1nccc2)Cl 7a_100000700379_200000210301 [0,0,0,1,0,0|2,0,1]=4 1329 B14R2.203 COc1c(ccc2c1nccc2)O 271570a_203496583355_100010256708 [0,0,0,1,0,0|1,0,1]=3 1330 B14R2.203 CSc1c(ccc2c1cccc2)O 62a_200000210301_100000183829 [0,0,0,1,0,0|1,1,1]=4 1331 B14R2.203 CSc1c(ccc2c1cncc2)O 62a_200000210301_200010115057 [0,0,0,1,0,0|2,1,0]=4 1332 B14R2.203 CSc1c(ccc2c1nccc2)O 62a_200000210301_100010173343 [0,0,0,1,0,0|1,1,1]=4 1333 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 34a_100000039261_200025704644 [0,0,0,1,0,0|2,0,1]=4 1334 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 7a_100000039261_200025704644 [0,0,0,1,0,0|2,0,1]=4 1335 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)O 34a_100000007056_200025704644 [0,0,0,1,0,0|2,0,1]=4 1336 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 34a_100009996032_200025704644 [0,0,0,1,0,0|2,0,1]=4 1337 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 7a_100009996032_200025704644 [0,0,0,1,0,0|2,0,1]=4 1338 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)N 34a_100000007060_200025704644 [0,0,0,1,0,0|2,0,1]=4 1339 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Br 34a_100009816563_200025704644 [0,0,0,1,0,0|2,0,1]=4 1340 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 34a_100000700379_200025704644 [0,0,0,1,0,0|2,0,1]=4 1341 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 7a_100000700379_200025704644 [0,0,0,1,0,0|2,0,1]=4 1342 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)O 62a_200025704644_100000183829 [0,0,0,1,0,0|1,1,1]=4 1343 B14R2.203 [13CH3]Sc1c(ccc2c1cncc2)O 62a_200025704644_200010115057 [0,0,0,1,0,0|2,1,0]=4 1344 B14R2.203 [13CH3]Sc1c(ccc2c1nccc2)O 62a_200025704644_100010173343 [0,0,0,1,0,0|1,1,1]=4 1345 B14R2.991 CCCCc1ccc2c(c1)OCO2 271570a_100020621405_100000688060 [0,0,0,1,0,0|1,0,2]=4 1346 B14R2.991 CCCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210303 [0,0,0,1,0,0|2,0,1]=4 1347 B14R2.991 CCCNc1ccc2c(c1)OCO2 34a_100000209953_100000210303 [0,0,0,1,0,0|2,0,1]=4 1348 B14R2.991 CCCOc1ccc2c(c1)OCO2 34a_100000210298_100000210303 [0,0,0,1,0,0|2,0,1]=4 1349 B14R2.991 CCNCc1ccc2c(c1)OCO2 2230a_100000210006_100000210202 [0,0,0,1,0,0|2,0,1]=4 1350 B14R2.991 CCNCc1ccc2c(c1)OCO2 34a_100000210006_100000210202 [0,0,0,1,0,0|2,0,1]=4 1351 B14R2.991 CCOCc1ccc2c(c1)OCO2 34a_100000210967_100000210202 [0,0,0,1,0,0|2,0,1]=4 1352 B14R2.991 CCOCc1ccc2c(c1)OCO2 34a_100121572206_100000189651 [0,0,0,1,0,0|2,0,1]=4 1353 B14R2.991 FCCNc1ccc2c(c1)OCO2 2230a_100000209953_100011217306 [0,0,0,1,0,0|2,0,1]=4 1354 B14R2.991 FCCNc1ccc2c(c1)OCO2 34a_100000209953_100011217306 [0,0,0,1,0,0|2,0,1]=4 1355 B14R2.991 FCCOc1ccc2c(c1)OCO2 34a_100000210298_100011217306 [0,0,0,1,0,0|2,0,1]=4 1356 B14R2.991 FCNCc1ccc2c(c1)OCO2 34a_100000210006_100015361967 [0,0,0,1,0,0|2,0,1]=4 1357 B14R2.991 FCOCc1ccc2c(c1)OCO2 34a_100000210967_100015361967 [0,0,0,1,0,0|2,0,1]=4 1358 B14R2.991 OCCNc1ccc2c(c1)CCO2 2230a_100000736984_100000211926 [0,0,0,1,0,0|2,0,1]=4 1359 B14R2.991 OCCNc1ccc2c(c1)CCO2 34a_100000736984_100000211926 [0,0,0,1,0,0|2,0,1]=4 1360 B14R2.991 OCCNc1ccc2c(c1)OCO2 2230a_100000209953_100000211926 [0,0,0,1,0,0|1,0,1]=3 1361 B14R2.991 OCCNc1ccc2c(c1)OCO2 34a_100000209953_100000211926 [0,0,0,1,0,0|1,0,1]=3 1362 B14R2.991 OCCOc1ccc2c(c1)OCO2 34a_100000210298_100000211926 [0,0,0,1,0,0|1,0,1]=3 1363 B14R2.991 OCCSc1ccc2c(c1)CCO2 62a_100000211926_100000729065 [0,0,0,1,0,0|2,0,1]=4 1364 B14R2.991 OCCSc1ccc2c(c1)CCO2 62a_100000729065_100000211926 [0,0,0,1,0,0|2,0,1]=4 1365 B14R2.991 OCCSc1ccc2c(c1)OCC2 62a_100000211926_100009818566 [0,0,0,1,0,0|2,0,1]=4 1366 B14R2.991 OCCSc1ccc2c(c1)OCC2 62a_100009818566_100000211926 [0,0,0,1,0,0|2,0,1]=4 1367 B14R2.1128 COc1cc2ccccc2cc1Br 34a_100009817189_200000210301 [0,0,0,1,0,0|2,0,1]=4 1368 B14R2.1128 COc1cc2ccccc2cc1Br 7a_100009817189_200000210301 [0,0,0,1,0,0|2,0,1]=4 1369 B14R2.1128 COc1cc2ccccc2cc1C 34a_100000091601_200000210301 [0,0,0,1,0,0|2,0,1]=4 1370 B14R2.1128 COc1cc2ccccc2cc1C 7a_100000091601_200000210301 [0,0,0,1,0,0|2,0,1]=4 1371 B14R2.1128 COc1cc2ccccc2cc1N 34a_106744474703_200000210301 [0,0,0,1,0,0|2,0,1]=4 1372 B14R2.1128 COc1cc2ccccc2cc1N 7a_106744474703_200000210301 [0,0,0,1,0,0|2,0,1]=4 1373 B14R2.1128 COc1cc2ccccc2cc1O 271570a_203496583355_100009817100 [0,0,0,1,0,0|1,0,1]=3 1374 B14R2.1128 COc1cc2cccnc2cc1Br 34a_200010153759_200000210301 [0,0,0,1,0,0|2,0,1]=4 1375 B14R2.1128 COc1cc2cccnc2cc1Br 7a_200010153759_200000210301 [0,0,0,1,0,0|2,0,1]=4 1376 B14R2.1128 COc1cc2cccnc2cc1O 271570a_203496583355_100011093944 [0,0,0,1,0,0|1,0,1]=3 1377 B14R2.1128 COc1cc2ccncc2cc1O 271570a_203496583355_100010990640 [0,0,0,1,0,0|2,0,0]=3 1378 B14R2.1128 COc1cc2ncccc2cc1O 271570a_203496583355_100020706834 [0,0,0,1,0,0|2,0,1]=4 1379 B14R2.1128 COc1nc2ccccc2cc1O 271570a_203496583355_100009820890 [0,0,0,1,0,0|2,0,1]=4 1380 B14R2.1128 CSc1cc2ccccc2cc1O 62a_200000210301_100009817189 [0,0,0,1,0,0|1,1,1]=4 1381 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 34a_100000091601_200025704644 [0,0,0,1,0,0|2,0,1]=4 1382 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 7a_100000091601_200025704644 [0,0,0,1,0,0|2,0,1]=4 1383 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 34a_100009817189_200025704644 [0,0,0,1,0,0|2,0,1]=4 1384 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 7a_100009817189_200025704644 [0,0,0,1,0,0|2,0,1]=4 1385 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 34a_106744474703_200025704644 [0,0,0,1,0,0|2,0,1]=4 1386 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 7a_106744474703_200025704644 [0,0,0,1,0,0|2,0,1]=4 1387 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 34a_200010153759_200025704644 [0,0,0,1,0,0|2,0,1]=4 1388 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 7a_200010153759_200025704644 [0,0,0,1,0,0|2,0,1]=4 1389 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1O 62a_200025704644_100009817189 [0,0,0,1,0,0|1,1,1]=4 1390 B14R2.1416 COc1cc2cnn(c2cc1O)C 271570a_203496583355_200021298667 [0,0,0,1,0,0|3,0,0]=4 1391 B14R2.3168 COc1cc(ccc1O)NC2CC2 34a_100000726020_100000211595 [0,0,0,1,0,0|2,0,1]=4 1392 B11R1.189 C=C=Cc1cccc(c1)OC 271570a_100015277604_100000170001 [2,0,0,0,0,0|0,0,2]=4 1393 B11R1.189 CC=Cc1cc(ccn1)CC 271570a_100016259895_100009817561 [2,0,0,0,0,0|2,0,0]=4 1394 B11R1.189 CC=Cc1cc(ccn1)NC 271570a_100016259895_100009869472 [2,0,0,0,0,0|2,0,0]=4 1395 B11R1.189 CC=Cc1cc(ccn1)OC 271570a_100016259895_100011216251 [2,0,0,0,0,0|1,0,0]=3 1396 B11R1.189 CC=Cc1cc(ccn1)SC 271570a_100016259895_100010883326 [2,0,0,0,0,0|1,1,0]=4 1397 B11R1.189 CC=Cc1cc(cnn1)OC 271570a_100016259895_100000087634 [2,0,0,0,0,0|2,0,0]=4 1398 B11R1.189 CC=Cc1cc(ncn1)OC 271570a_100016259895_100012187182 [2,0,0,0,0,0|2,0,0]=4 1399 B11R1.189 CC=Cc1cccc(c1)C#N 271570a_100016259895_100000189340 [2,0,0,0,0,0|2,0,0]=4 1400 B11R1.189 CC=Cc1cccc(c1)C=O 271570a_100016259895_100000014684 [2,0,0,0,0,0|2,0,0]=4 1401 B11R1.189 CC=Cc1cccc(c1)CC 271570a_100016259895_100000684523 [2,0,0,0,0,0|1,0,0]=3 1402 B11R1.189 CC=Cc1cccc(c1)CF 271570a_100016259895_100010878472 [2,0,0,0,0,0|2,0,0]=4 1403 B11R1.189 CC=Cc1cccc(c1)CN 271570a_100016259895_100000106179 [2,0,0,0,0,0|2,0,0]=4 1404 B11R1.189 CC=Cc1cccc(c1)CO 271570a_100016259895_100000687537 [2,0,0,0,0,0|2,0,0]=4 1405 B11R1.189 CC=Cc1cccc(c1)NC 271570a_100016259895_100000219648 [2,0,0,0,0,0|1,0,0]=3 1406 B11R1.189 CC=Cc1cccc(c1)NN 271570a_100016259895_100000217339 [2,0,0,0,0,0|2,0,0]=4 1407 B11R1.189 CC=Cc1cccc(c1)OC 271570a_100016259895_100000170001 [2,0,0,0,0,0|0,0,0]=2 1408 B11R1.189 CC=Cc1cccc(c1)SC 271570a_100016259895_100011215954 [2,0,0,0,0,0|0,1,0]=3 1409 B11R1.189 CC=Cc1cccc(n1)CC 271570a_100016259895_100009856026 [2,0,0,0,0,0|2,0,0]=4 1410 B11R1.189 CC=Cc1cccc(n1)NC 271570a_100016259895_100000703281 [2,0,0,0,0,0|2,0,0]=4 1411 B11R1.189 CC=Cc1cccc(n1)OC 271570a_100016259895_100000760917 [2,0,0,0,0,0|1,0,0]=3 1412 B11R1.189 CC=Cc1cccc(n1)SC 271570a_100016259895_100011960944 [2,0,0,0,0,0|1,1,0]=4 1413 B11R1.189 CC=Cc1ccnc(c1)CC 271570a_100016259895_100009820011 [2,0,0,0,0,0|2,0,0]=4 1414 B11R1.189 CC=Cc1ccnc(c1)NC 271570a_100016259895_100009819592 [2,0,0,0,0,0|2,0,0]=4 1415 B11R1.189 CC=Cc1ccnc(c1)OC 271570a_100016259895_100000117307 [2,0,0,0,0,0|1,0,0]=3 1416 B11R1.189 CC=Cc1ccnc(n1)OC 271570a_100016259895_100000069072 [2,0,0,0,0,0|2,0,0]=4 1417 B11R1.189 CC=Cc1cncc(c1)CC 271570a_100016259895_200009819073 [2,0,0,0,0,0|2,0,0]=4 1418 B11R1.189 CC=Cc1cncc(c1)NC 271570a_100016259895_100012184536 [2,0,0,0,0,0|2,0,0]=4 1419 B11R1.189 CC=Cc1cncc(c1)OC 271570a_100016259895_100000684773 [2,0,0,0,0,0|1,0,0]=3 1420 B11R1.189 CC=Cc1cncc(c1)SC 271570a_100016259895_100009816972 [2,0,0,0,0,0|1,1,0]=4 1421 B11R1.189 CC=Cc1cncc(n1)OC 271570a_100016259895_100000756030 [2,0,0,0,0,0|2,0,0]=4 1422 B11R1.189 CC=Cc1nccc(n1)OC 271570a_100016259895_100000182009 [2,0,0,0,0,0|2,0,0]=4 1423 B11R1.189 CCCc1cccc(c1)OC 34a_100000039106_200000210301 [2,0,0,0,0,0|0,0,2]=4 1424 B11R1.189 CCCc1cccc(c1)OC 7a_100000039106_200000210301 [2,0,0,0,0,0|0,0,2]=4 1425 B11R1.189 CCCc1cccc(c1)O[13CH3] 34a_100000039106_200025704644 [2,0,0,0,0,0|0,0,2]=4 1426 B11R1.189 CCCc1cccc(c1)O[13CH3] 7a_100000039106_200025704644 [2,0,0,0,0,0|0,0,2]=4 1427 B11R1.189 CCNc1cccc(c1)OC 34a_100000210024_100000210202 [2,0,0,0,0,0|1,0,1]=4 1428 B11R1.189 CCNc1cccc(c1)OC 34a_100000717746_200000210301 [2,0,0,0,0,0|1,0,1]=4 1429 B11R1.189 CCNc1cccc(c1)OC 7a_100000717746_200000210301 [2,0,0,0,0,0|1,0,1]=4 1430 B11R1.189 CCNc1cccc(c1)O[13CH3] 34a_100000717746_200025704644 [2,0,0,0,0,0|1,0,1]=4 1431 B11R1.189 CCNc1cccc(c1)O[13CH3] 7a_100000717746_200025704644 [2,0,0,0,0,0|1,0,1]=4 1432 B11R1.189 CCOc1cccc(c1)OC 34a_100000211255_100000210202 [2,0,0,0,0,0|1,0,1]=4 1433 B11R1.189 CCOc1cccc(c1)OC 34a_100011215941_200000210301 [2,0,0,0,0,0|1,0,1]=4 1434 B11R1.189 CCOc1cccc(c1)OC 7a_100000211255_100000210202 [2,0,0,0,0,0|1,0,1]=4 1435 B11R1.189 CCOc1cccc(c1)OC 7a_100011215941_200000210301 [2,0,0,0,0,0|1,0,1]=4 1436 B11R1.189 CCOc1cccc(c1)O[13CH3] 34a_100011215941_200025704644 [2,0,0,0,0,0|1,0,1]=4 1437 B11R1.189 CCOc1cccc(c1)O[13CH3] 7a_100011215941_200025704644 [2,0,0,0,0,0|1,0,1]=4 1438 B11R1.189 CCSc1cccc(c1)OC 62a_100000210202_100000170001 [2,0,0,0,0,0|1,0,1]=4 1439 B11R1.189 CNCc1cccc(c1)OC 207a_100102657272_100000170238 [2,0,0,0,0,0|1,0,1]=4 1440 B11R1.189 CNCc1cccc(c1)OC 2230a_100000174954_200000210301 [2,0,0,0,0,0|1,0,1]=4 1441 B11R1.189 CNCc1cccc(c1)OC 2230a_106832991635_100000211672 [2,0,0,0,0,0|1,0,1]=4 1442 B11R1.189 CNCc1cccc(c1)OC 26a_100102657272_100000211255 [2,0,0,0,0,0|1,0,1]=4 1443 B11R1.189 CNCc1cccc(c1)OC 270004a_106832991635_100000170238 [2,0,0,0,0,0|1,0,1]=4 1444 B11R1.189 CNCc1cccc(c1)OC 34a_100000174954_200000210301 [2,0,0,0,0,0|1,0,1]=4 1445 B11R1.189 CNCc1cccc(c1)OC 34a_100000207540_200000210301 [2,0,0,0,0,0|1,0,1]=4 1446 B11R1.189 CNCc1cccc(c1)OC 34a_100102657272_100000688526 [2,0,0,0,0,0|1,0,1]=4 1447 B11R1.189 CNCc1cccc(c1)OC 7a_106832991635_100000211672 [2,0,0,0,0,0|1,0,1]=4 1448 B11R1.189 CNCc1cccc(c1)O[13CH3] 34a_100000207540_200025704644 [2,0,0,0,0,0|1,0,1]=4 1449 B11R1.189 CNc1cccc(c1)CCO 2230a_100011996697_200000210301 [2,0,0,0,0,0|1,0,1]=4 1450 B11R1.189 CNc1cccc(c1)CCO 34a_100011996697_200000210301 [2,0,0,0,0,0|1,0,1]=4 1451 B11R1.189 COCc1cccc(c1)OC 34a_100000198976_200000210301 [2,0,0,0,0,0|1,0,1]=4 1452 B11R1.189 COCc1cccc(c1)OC 34a_100138415774_100000688526 [2,0,0,0,0,0|1,0,1]=4 1453 B11R1.189 COc1cccc(c1)CCN 34a_100000747277_200000210301 [2,0,0,0,0,0|1,0,1]=4 1454 B11R1.189 COc1cccc(c1)CCO 34a_100011215281_200000210301 [2,0,0,0,0,0|0,0,1]=3 1455 B11R1.189 COc1cccc(c1)CCO 7a_100011215281_200000210301 [2,0,0,0,0,0|0,0,1]=3 1456 B11R1.189 COc1cccc(c1)CN[13CH3] 2230a_100000174954_200025704644 [2,0,0,0,0,0|1,0,1]=4 1457 B11R1.189 COc1cccc(c1)CN[13CH3] 34a_100000174954_200025704644 [2,0,0,0,0,0|1,0,1]=4 1458 B11R1.189 COc1cccc(c1)CO[13CH3] 34a_100000198976_200025704644 [2,0,0,0,0,0|1,0,1]=4 1459 B11R1.189 COc1cccc(c1)CSC 62a_100000688526_200000210301 [2,0,0,0,0,0|1,0,1]=4 1460 B11R1.189 COc1cccc(c1)CSC 62a_200000210301_100000211672 [2,0,0,0,0,0|1,0,1]=4 1461 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_100000688526_200025704644 [2,0,0,0,0,0|1,0,1]=4 1462 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_200025704644_100000211672 [2,0,0,0,0,0|1,0,1]=4 1463 B11R1.189 COc1cccc(c1)NCF 34a_100000210024_100015361967 [2,0,0,0,0,0|2,0,0]=4 1464 B11R1.189 COc1cccc(c1)OCF 34a_100000211255_100015361967 [2,0,0,0,0,0|2,0,0]=4 1465 B11R1.189 COc1cccc(c1)OCF 7a_100000211255_100015361967 [2,0,0,0,0,0|2,0,0]=4 1466 B11R1.189 COc1cccc(c1)SCF 62a_100015361967_100000170001 [2,0,0,0,0,0|2,0,0]=4 1467 B11R1.189 CSc1cccc(c1)CCO 62a_100011217444_200000210301 [2,0,0,0,0,0|0,1,1]=4 1468 B11R1.189 CSc1cccc(c1)CCO 62a_200000210301_100011217444 [2,0,0,0,0,0|0,1,1]=4 1469 B11R1.189 [13CH3]Nc1cccc(c1)CCO 2230a_100011996697_200025704644 [2,0,0,0,0,0|1,0,1]=4 1470 B11R1.189 [13CH3]Nc1cccc(c1)CCO 34a_100011996697_200025704644 [2,0,0,0,0,0|1,0,1]=4 1471 B11R1.189 [13CH3]Oc1cccc(c1)CCN 34a_100000747277_200025704644 [2,0,0,0,0,0|1,0,1]=4 1472 B11R1.189 [13CH3]Oc1cccc(c1)CCO 34a_100011215281_200025704644 [2,0,0,0,0,0|0,0,1]=3 1473 B11R1.189 [13CH3]Oc1cccc(c1)CCO 7a_100011215281_200025704644 [2,0,0,0,0,0|0,0,1]=3 1474 B11R1.189 [13CH3]Sc1cccc(c1)CCO 62a_100011217444_200025704644 [2,0,0,0,0,0|0,1,1]=4 1475 B11R1.189 [13CH3]Sc1cccc(c1)CCO 62a_200025704644_100011217444 [2,0,0,0,0,0|0,1,1]=4 1476 B11R1.192 C=C=Cc1ccc(c(c1)C)O 271570a_100015277604_100000186361 [2,0,0,0,0,0|0,0,2]=4 1477 B11R1.192 C=C=Cc1ccc(c(c1)O)O 271570a_100015277604_100009813601 [2,0,0,0,0,0|0,0,2]=4 1478 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)O 271570a_100016259895_100009814561 [2,0,0,0,0,0|1,0,1]=4 1479 B11R1.192 CC=Cc1cc(c(cn1)Br)C 271570a_100016259895_100012356354 [2,0,0,0,0,0|2,0,0]=4 1480 B11R1.192 CC=Cc1cc(c(cn1)C)C 271570a_100016259895_100009850809 [2,0,0,0,0,0|2,0,0]=4 1481 B11R1.192 CC=Cc1cc(c(cn1)C)O 271570a_100016259895_100000704368 [2,0,0,0,0,0|2,0,0]=4 1482 B11R1.192 CC=Cc1cc(c(cn1)F)C 271570a_100016259895_100009818257 [2,0,0,0,0,0|2,0,0]=4 1483 B11R1.192 CC=Cc1cc(c(cn1)F)O 271570a_100016259895_100009854642 [2,0,0,0,0,0|2,0,0]=4 1484 B11R1.192 CC=Cc1cc(c(cn1)N)C 271570a_100016259895_100000765520 [2,0,0,0,0,0|2,0,0]=4 1485 B11R1.192 CC=Cc1cc(c(cn1)O)C 271570a_100016259895_100000692680 [2,0,0,0,0,0|1,0,0]=3 1486 B11R1.192 CC=Cc1cc(c(cn1)O)N 271570a_100016259895_100009819941 [2,0,0,0,0,0|2,0,0]=4 1487 B11R1.192 CC=Cc1ccc(=O)n(c1)C 271570a_100016259895_100011245003 [2,0,0,0,0,0|1,0,1]=4 1488 B11R1.192 CC=Cc1ccc(c(c1)Br)Br 271570a_100016259895_100012356285 [2,0,0,0,0,0|2,0,0]=4 1489 B11R1.192 CC=Cc1ccc(c(c1)Br)C 271570a_100016259895_100011847877 [2,0,0,0,0,0|2,0,0]=4 1490 B11R1.192 CC=Cc1ccc(c(c1)Br)Cl 271570a_100016259895_100012353702 [2,0,0,0,0,0|2,0,0]=4 1491 B11R1.192 CC=Cc1ccc(c(c1)Br)F 271570a_100016259895_100012047266 [2,0,0,0,0,0|2,0,0]=4 1492 B11R1.192 CC=Cc1ccc(c(c1)Br)N 271570a_100016259895_100000750455 [2,0,0,0,0,0|2,0,0]=4 1493 B11R1.192 CC=Cc1ccc(c(c1)Br)O 271570a_100016259895_100012361655 [2,0,0,0,0,0|1,0,0]=3 1494 B11R1.192 CC=Cc1ccc(c(c1)C)Br 271570a_100016259895_100009813585 [2,0,0,0,0,0|1,0,0]=3 1495 B11R1.192 CC=Cc1ccc(c(c1)C)C 271570a_100016259895_100011215607 [2,0,0,0,0,0|1,0,0]=3 1496 B11R1.192 CC=Cc1ccc(c(c1)C)Cl 271570a_100016259895_100000049509 [2,0,0,0,0,0|1,0,0]=3 1497 B11R1.192 CC=Cc1ccc(c(c1)C)F 271570a_100016259895_100011218330 [2,0,0,0,0,0|1,0,0]=3 1498 B11R1.192 CC=Cc1ccc(c(c1)C)N 271570a_100016259895_100000211769 [2,0,0,0,0,0|1,0,0]=3 1499 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [2,0,0,0,0,0|0,0,0]=2 1500 B11R1.192 CC=Cc1ccc(c(c1)Cl)Br 271570a_100016259895_100012047281 [2,0,0,0,0,0|2,0,0]=4 1501 B11R1.192 CC=Cc1ccc(c(c1)Cl)C 271570a_100016259895_100011216363 [2,0,0,0,0,0|2,0,0]=4 1502 B11R1.192 CC=Cc1ccc(c(c1)Cl)Cl 271570a_100016259895_100011214914 [2,0,0,0,0,0|2,0,0]=4 1503 B11R1.192 CC=Cc1ccc(c(c1)Cl)F 271570a_100016259895_100011215976 [2,0,0,0,0,0|2,0,0]=4 1504 B11R1.192 CC=Cc1ccc(c(c1)Cl)N 271570a_100016259895_100011218065 [2,0,0,0,0,0|2,0,0]=4 1505 B11R1.192 CC=Cc1ccc(c(c1)Cl)O 271570a_100016259895_100012360047 [2,0,0,0,0,0|1,0,0]=3 1506 B11R1.192 CC=Cc1ccc(c(c1)F)Br 271570a_100016259895_100000685389 [2,0,0,0,0,0|2,0,0]=4 1507 B11R1.192 CC=Cc1ccc(c(c1)F)C 271570a_100016259895_100000720648 [2,0,0,0,0,0|2,0,0]=4 1508 B11R1.192 CC=Cc1ccc(c(c1)F)Cl 271570a_100016259895_100011216805 [2,0,0,0,0,0|2,0,0]=4 1509 B11R1.192 CC=Cc1ccc(c(c1)F)F 271570a_100016259895_100000750028 [2,0,0,0,0,0|2,0,0]=4 1510 B11R1.192 CC=Cc1ccc(c(c1)F)N 271570a_100016259895_100011215594 [2,0,0,0,0,0|2,0,0]=4 1511 B11R1.192 CC=Cc1ccc(c(c1)F)O 271570a_100016259895_100000185481 [2,0,0,0,0,0|1,0,0]=3 1512 B11R1.192 CC=Cc1ccc(c(c1)N)Br 271570a_100016259895_100000750456 [2,0,0,0,0,0|2,0,0]=4 1513 B11R1.192 CC=Cc1ccc(c(c1)N)C 271570a_100016259895_100000761890 [2,0,0,0,0,0|2,0,0]=4 1514 B11R1.192 CC=Cc1ccc(c(c1)N)Cl 271570a_100016259895_200000761891 [2,0,0,0,0,0|2,0,0]=4 1515 B11R1.192 CC=Cc1ccc(c(c1)N)F 271570a_100016259895_100000740924 [2,0,0,0,0,0|2,0,0]=4 1516 B11R1.192 CC=Cc1ccc(c(c1)N)N 271570a_100016259895_100000741789 [2,0,0,0,0,0|2,0,0]=4 1517 B11R1.192 CC=Cc1ccc(c(c1)N)O 271570a_100016259895_100000752626 [2,0,0,0,0,0|1,0,0]=3 1518 B11R1.192 CC=Cc1ccc(c(c1)O)Br 271570a_100016259895_100012356990 [2,0,0,0,0,0|1,0,0]=3 1519 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [2,0,0,0,0,0|1,0,0]=3 1520 B11R1.192 CC=Cc1ccc(c(c1)O)Cl 271570a_100016259895_100011356854 [2,0,0,0,0,0|1,0,0]=3 1521 B11R1.192 CC=Cc1ccc(c(c1)O)F 271570a_100016259895_100000686035 [2,0,0,0,0,0|1,0,0]=3 1522 B11R1.192 CC=Cc1ccc(c(c1)O)N 271570a_100016259895_100000739049 [2,0,0,0,0,0|1,0,0]=3 1523 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [2,0,0,0,0,0|0,0,0]=2 1524 B11R1.192 CC=Cc1ccc(c(n1)Br)O 271570a_100016259895_100000725334 [2,0,0,0,0,0|2,0,0]=4 1525 B11R1.192 CC=Cc1ccc(c(n1)C)Br 271570a_100016259895_100012360386 [2,0,0,0,0,0|2,0,0]=4 1526 B11R1.192 CC=Cc1ccc(c(n1)C)C 271570a_100016259895_100000103781 [2,0,0,0,0,0|2,0,0]=4 1527 B11R1.192 CC=Cc1ccc(c(n1)C)F 271570a_100016259895_100009814307 [2,0,0,0,0,0|2,0,0]=4 1528 B11R1.192 CC=Cc1ccc(c(n1)C)N 271570a_100016259895_100000760127 [2,0,0,0,0,0|2,0,0]=4 1529 B11R1.192 CC=Cc1ccc(c(n1)C)O 271570a_100016259895_100010233687 [2,0,0,0,0,0|1,0,0]=3 1530 B11R1.192 CC=Cc1ccc(c(n1)Cl)O 271570a_100016259895_100000721234 [2,0,0,0,0,0|2,0,0]=4 1531 B11R1.192 CC=Cc1ccc(c(n1)F)O 271570a_100016259895_100009819667 [2,0,0,0,0,0|2,0,0]=4 1532 B11R1.192 CC=Cc1ccc(c(n1)N)O 271570a_100016259895_100000685527 [2,0,0,0,0,0|2,0,0]=4 1533 B11R1.192 CC=Cc1ccc(c(n1)O)F 271570a_100016259895_100010729010 [2,0,0,0,0,0|2,0,0]=4 1534 B11R1.192 CC=Cc1ccc(c(n1)O)N 271570a_100016259895_100000718904 [2,0,0,0,0,0|2,0,0]=4 1535 B11R1.192 CC=Cc1cnc(c(c1)C)Br 271570a_100016259895_100009816107 [2,0,0,0,0,0|2,0,0]=4 1536 B11R1.192 CC=Cc1cnc(c(c1)C)C 271570a_100016259895_100000697892 [2,0,0,0,0,0|2,0,0]=4 1537 B11R1.192 CC=Cc1cnc(c(c1)C)Cl 271570a_100016259895_100009922867 [2,0,0,0,0,0|2,0,0]=4 1538 B11R1.192 CC=Cc1cnc(c(c1)C)F 271570a_100016259895_100000709442 [2,0,0,0,0,0|2,0,0]=4 1539 B11R1.192 CC=Cc1cnc(c(c1)C)N 271570a_100016259895_100000186686 [2,0,0,0,0,0|2,0,0]=4 1540 B11R1.192 CC=Cc1cnc(c(c1)C)O 271570a_100016259895_100000685391 [2,0,0,0,0,0|1,0,0]=3 1541 B11R1.192 CC=Cc1cnc(c(c1)Cl)O 271570a_100016259895_100010238531 [2,0,0,0,0,0|2,0,0]=4 1542 B11R1.192 CC=Cc1cnc(c(c1)N)O 271570a_100016259895_100000743729 [2,0,0,0,0,0|2,0,0]=4 1543 B11R1.192 CC=Cc1cnc(c(c1)O)C 271570a_100016259895_100009864810 [2,0,0,0,0,0|2,0,0]=4 1544 B11R1.192 CC=Cc1cnc(c(c1)O)F 271570a_100016259895_100009819871 [2,0,0,0,0,0|2,0,0]=4 1545 B11R1.192 CC=Cc1cnc(c(c1)O)N 271570a_100016259895_100009819042 [2,0,0,0,0,0|2,0,0]=4 1546 B11R1.192 CCNc1ccc(c(c1)C)O 271570a_203496583355_100015183089 [2,0,0,0,0,0|1,0,1]=4 1547 B11R1.192 CCNc1ccc(c(c1)C)O 34a_100011218179_100000210202 [2,0,0,0,0,0|1,0,1]=4 1548 B11R1.192 CCNc1ccc(c(c1)C)O 7a_100011218179_100000210202 [2,0,0,0,0,0|1,0,1]=4 1549 B11R1.192 CCNc1ccc(c(c1)O)O 34a_100102946323_100000210202 [2,0,0,0,0,0|1,0,1]=4 1550 B11R1.192 CCOc1ccc(c(c1)C)O 271570a_203496583355_100012344538 [2,0,0,0,0,0|1,0,1]=4 1551 B11R1.192 CCSc1ccc(c(c1)C)O 62a_100000210202_100000186361 [2,0,0,0,0,0|1,0,1]=4 1552 B11R1.192 CCSc1ccc(c(c1)O)O 62a_100000210202_100009813601 [2,0,0,0,0,0|1,0,1]=4 1553 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [2,0,0,0,0,0|1,0,1]=4 1554 B11R1.192 Cc1cc(ccc1O)NCF 34a_100011218179_100015361967 [2,0,0,0,0,0|2,0,0]=4 1555 B11R1.192 Cc1cc(ccc1O)NCF 7a_100011218179_100015361967 [2,0,0,0,0,0|2,0,0]=4 1556 B11R1.192 Cc1cc(ccc1O)SCF 62a_100015361967_100000186361 [2,0,0,0,0,0|2,0,0]=4 1557 B11R1.192 OCCc1ccc(c(c1)F)O 271570a_203496583355_100012921202 [2,0,0,0,0,0|1,0,1]=4 1558 B11R1.192 Oc1ccc(cc1O)NCF 34a_100102946323_100015361967 [2,0,0,0,0,0|2,0,0]=4 1559 B11R1.192 Oc1ccc(cc1O)SCF 62a_100015361967_100009813601 [2,0,0,0,0,0|2,0,0]=4 1560 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [2,0,0,0,0,0|1,0,1]=4 1561 B11R1.280 C=Cc1c[nH]c(=O)c(c1)OC 271570a_100011290941_100010125397 [2,0,0,0,0,0|1,0,1]=4 1562 B11R1.280 C=Cc1cc(c(cn1)C)OC 271570a_100011290941_100010067687 [2,0,0,0,0,0|2,0,0]=4 1563 B11R1.280 C=Cc1cc(c(cn1)F)OC 271570a_100011290941_200010136270 [2,0,0,0,0,0|2,0,0]=4 1564 B11R1.280 C=Cc1cc(c(cn1)N)OC 271570a_100011290941_100009887741 [2,0,0,0,0,0|2,0,0]=4 1565 B11R1.280 C=Cc1cc(ccc1O)CO 271570a_100011290941_100011191544 [2,0,0,0,0,0|1,0,1]=4 1566 B11R1.280 C=Cc1ccc(c(c1)C#N)O 271570a_100011290941_100000687585 [2,0,0,0,0,0|2,0,0]=4 1567 B11R1.280 C=Cc1ccc(c(c1)C=O)O 271570a_100011290941_100000186750 [2,0,0,0,0,0|2,0,0]=4 1568 B11R1.280 C=Cc1ccc(c(c1)CC)Br 271570a_100011290941_100010244631 [2,0,0,0,0,0|2,0,0]=4 1569 B11R1.280 C=Cc1ccc(c(c1)CC)F 271570a_100011290941_100010244625 [2,0,0,0,0,0|2,0,0]=4 1570 B11R1.280 C=Cc1ccc(c(c1)CC)N 271570a_100011290941_100000686106 [2,0,0,0,0,0|2,0,0]=4 1571 B11R1.280 C=Cc1ccc(c(c1)CC)O 271570a_100011290941_100012338938 [2,0,0,0,0,0|1,0,0]=3 1572 B11R1.280 C=Cc1ccc(c(c1)CN)O 271570a_100011290941_100000730032 [2,0,0,0,0,0|2,0,0]=4 1573 B11R1.280 C=Cc1ccc(c(c1)CO)O 271570a_100011290941_100000184703 [2,0,0,0,0,0|2,0,0]=4 1574 B11R1.280 C=Cc1ccc(c(c1)NC)C 271570a_100011290941_100020629602 [2,0,0,0,0,0|2,0,0]=4 1575 B11R1.280 C=Cc1ccc(c(c1)NC)F 271570a_100011290941_100011314990 [2,0,0,0,0,0|2,0,0]=4 1576 B11R1.280 C=Cc1ccc(c(c1)NC)N 271570a_100011290941_100000694363 [2,0,0,0,0,0|2,0,0]=4 1577 B11R1.280 C=Cc1ccc(c(c1)OC)Br 271570a_100011290941_100012353699 [2,0,0,0,0,0|1,0,0]=3 1578 B11R1.280 C=Cc1ccc(c(c1)OC)C 271570a_100011290941_100011830276 [2,0,0,0,0,0|1,0,0]=3 1579 B11R1.280 C=Cc1ccc(c(c1)OC)Cl 271570a_100011290941_100011356853 [2,0,0,0,0,0|1,0,0]=3 1580 B11R1.280 C=Cc1ccc(c(c1)OC)F 271570a_100011290941_100011934186 [2,0,0,0,0,0|1,0,0]=3 1581 B11R1.280 C=Cc1ccc(c(c1)OC)N 271570a_100011290941_100011279103 [2,0,0,0,0,0|1,0,0]=3 1582 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [2,0,0,0,0,0|0,0,0]=2 1583 B11R1.280 C=Cc1ccc(c(c1)SC)F 271570a_100011290941_100010341305 [2,0,0,0,0,0|1,1,0]=4 1584 B11R1.280 C=Cc1ccc(c(n1)OC)N 271570a_100011290941_100000687816 [2,0,0,0,0,0|2,0,0]=4 1585 B11R1.280 C=Cc1ccc(c(n1)OC)O 271570a_100011290941_100010893133 [2,0,0,0,0,0|1,0,0]=3 1586 B11R1.280 C=Cc1cnc(c(c1)OC)C 271570a_100011290941_100010254219 [2,0,0,0,0,0|2,0,0]=4 1587 B11R1.280 C=Cc1cnc(c(c1)OC)F 271570a_100011290941_100010214931 [2,0,0,0,0,0|2,0,0]=4 1588 B11R1.280 C=Cc1cnc(c(c1)OC)N 271570a_100011290941_106354213024 [2,0,0,0,0,0|2,0,0]=4 1589 B11R1.280 C=Cc1cnc(c(n1)OC)O 271570a_100011290941_200010365344 [2,0,0,0,0,0|2,0,0]=4 1590 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [2,0,0,0,0,0|2,0,0]=4 1591 B11R1.280 CCc1cc(ccc1O)SC 62a_200000210301_100012338938 [2,0,0,0,0,0|2,0,0]=4 1592 B11R1.280 CCc1cc(ccc1O)S[13CH3] 62a_200025704644_100012338938 [2,0,0,0,0,0|2,0,0]=4 1593 B11R1.280 CCc1ccc(c(c1)NC)O 34a_100000765835_200000210301 [2,0,0,0,0,0|1,0,1]=4 1594 B11R1.280 CCc1ccc(c(c1)N[13CH3])O 34a_100000765835_200025704644 [2,0,0,0,0,0|1,0,1]=4 1595 B11R1.280 CCc1ccc(c(c1)OC)N 34a_100000124328_200000210301 [2,0,0,0,0,0|1,0,1]=4 1596 B11R1.280 CCc1ccc(c(c1)OC)N 7a_100000124328_200000210301 [2,0,0,0,0,0|1,0,1]=4 1597 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [2,0,0,0,0,0|0,0,1]=3 1598 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 34a_100000124328_200025704644 [2,0,0,0,0,0|1,0,1]=4 1599 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 7a_100000124328_200025704644 [2,0,0,0,0,0|1,0,1]=4 1600 B11R1.280 CCc1ccc(c(c1)SC)O 62a_100012339963_200000210301 [2,0,0,0,0,0|0,1,1]=4 1601 B11R1.280 CCc1ccc(c(c1)SC)O 62a_200000210301_100012339963 [2,0,0,0,0,0|0,1,1]=4 1602 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_100012339963_200025704644 [2,0,0,0,0,0|0,1,1]=4 1603 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_200025704644_100012339963 [2,0,0,0,0,0|0,1,1]=4 1604 B11R1.280 CNc1cc(ccc1Br)CO 34a_100012347568_200000210301 [2,0,0,0,0,0|2,0,0]=4 1605 B11R1.280 CNc1cc(ccc1C)CO 2230a_100000758420_200000210301 [2,0,0,0,0,0|2,0,0]=4 1606 B11R1.280 CNc1cc(ccc1C)CO 34a_100000758420_200000210301 [2,0,0,0,0,0|2,0,0]=4 1607 B11R1.280 CNc1cc(ccc1Cl)CO 34a_106256033963_200000210301 [2,0,0,0,0,0|2,0,0]=4 1608 B11R1.280 CNc1cc(ccc1F)CO 2230a_102125399562_200000210301 [2,0,0,0,0,0|2,0,0]=4 1609 B11R1.280 CNc1cc(ccc1F)CO 34a_102125399562_200000210301 [2,0,0,0,0,0|2,0,0]=4 1610 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [2,0,0,0,0,0|1,0,0]=3 1611 B11R1.280 CNc1cc(ccc1O)OC 34a_100000188146_200000210301 [2,0,0,0,0,0|2,0,0]=4 1612 B11R1.280 CNc1ccc(c(c1)OC)Br 2230a_100000765947_200000210301 [2,0,0,0,0,0|2,0,0]=4 1613 B11R1.280 CNc1ccc(c(c1)OC)Br 34a_100000765947_200000210301 [2,0,0,0,0,0|2,0,0]=4 1614 B11R1.280 CNc1ccc(c(c1)OC)C 2230a_100011279678_200000210301 [2,0,0,0,0,0|2,0,0]=4 1615 B11R1.280 CNc1ccc(c(c1)OC)C 34a_100011279678_200000210301 [2,0,0,0,0,0|2,0,0]=4 1616 B11R1.280 CNc1ccc(c(c1)OC)Cl 2230a_100000742311_200000210301 [2,0,0,0,0,0|2,0,0]=4 1617 B11R1.280 CNc1ccc(c(c1)OC)Cl 34a_100000742311_200000210301 [2,0,0,0,0,0|2,0,0]=4 1618 B11R1.280 CNc1ccc(c(c1)OC)F 2230a_100000701188_200000210301 [2,0,0,0,0,0|2,0,0]=4 1619 B11R1.280 CNc1ccc(c(c1)OC)F 34a_100000701188_200000210301 [2,0,0,0,0,0|2,0,0]=4 1620 B11R1.280 CNc1ccc(c(c1)OC)I 34a_100000746945_200000210301 [2,0,0,0,0,0|2,0,0]=4 1621 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [2,0,0,0,0,0|1,0,0]=3 1622 B11R1.280 COc1cc(c(cn1)O)OC 271570a_203496583355_100010191559 [2,0,0,0,0,0|2,0,0]=4 1623 B11R1.280 COc1cc(ccc1Br)CO 34a_100010191536_200000210301 [2,0,0,0,0,0|1,0,0]=3 1624 B11R1.280 COc1cc(ccc1Br)CO 7a_100010191536_200000210301 [2,0,0,0,0,0|1,0,0]=3 1625 B11R1.280 COc1cc(ccc1Br)N[13CH3] 2230a_100000765947_200025704644 [2,0,0,0,0,0|2,0,0]=4 1626 B11R1.280 COc1cc(ccc1Br)N[13CH3] 34a_100000765947_200025704644 [2,0,0,0,0,0|2,0,0]=4 1627 B11R1.280 COc1cc(ccc1Br)O[13CH3] 34a_100011827694_200025704644 [2,0,0,0,0,0|2,0,0]=4 1628 B11R1.280 COc1cc(ccc1Br)O[13CH3] 7a_100011827694_200025704644 [2,0,0,0,0,0|2,0,0]=4 1629 B11R1.280 COc1cc(ccc1Br)SC 62a_100012353699_200000210301 [2,0,0,0,0,0|2,0,0]=4 1630 B11R1.280 COc1cc(ccc1Br)SC 62a_200000210301_100012353699 [2,0,0,0,0,0|2,0,0]=4 1631 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_100012353699_200025704644 [2,0,0,0,0,0|2,0,0]=4 1632 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_200025704644_100012353699 [2,0,0,0,0,0|2,0,0]=4 1633 B11R1.280 COc1cc(ccc1C)N[13CH3] 2230a_100011279678_200025704644 [2,0,0,0,0,0|2,0,0]=4 1634 B11R1.280 COc1cc(ccc1C)N[13CH3] 34a_100011279678_200025704644 [2,0,0,0,0,0|2,0,0]=4 1635 B11R1.280 COc1cc(ccc1C)O[13CH3] 34a_100009865632_200025704644 [2,0,0,0,0,0|2,0,0]=4 1636 B11R1.280 COc1cc(ccc1C)O[13CH3] 7a_100009865632_200025704644 [2,0,0,0,0,0|2,0,0]=4 1637 B11R1.280 COc1cc(ccc1C)SC 62a_100011830276_200000210301 [2,0,0,0,0,0|2,0,0]=4 1638 B11R1.280 COc1cc(ccc1C)SC 62a_200000210301_100011830276 [2,0,0,0,0,0|2,0,0]=4 1639 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_100011830276_200025704644 [2,0,0,0,0,0|2,0,0]=4 1640 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_200025704644_100011830276 [2,0,0,0,0,0|2,0,0]=4 1641 B11R1.280 COc1cc(ccc1Cl)CN 34a_100020636435_200000210301 [2,0,0,0,0,0|2,0,0]=4 1642 B11R1.280 COc1cc(ccc1Cl)CO 34a_100009876509_200000210301 [2,0,0,0,0,0|1,0,0]=3 1643 B11R1.280 COc1cc(ccc1Cl)CO 7a_100009876509_200000210301 [2,0,0,0,0,0|1,0,0]=3 1644 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 2230a_100000742311_200025704644 [2,0,0,0,0,0|2,0,0]=4 1645 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 34a_100000742311_200025704644 [2,0,0,0,0,0|2,0,0]=4 1646 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 34a_100012186310_200025704644 [2,0,0,0,0,0|2,0,0]=4 1647 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 7a_100012186310_200025704644 [2,0,0,0,0,0|2,0,0]=4 1648 B11R1.280 COc1cc(ccc1Cl)SC 62a_100011356853_200000210301 [2,0,0,0,0,0|2,0,0]=4 1649 B11R1.280 COc1cc(ccc1Cl)SC 62a_200000210301_100011356853 [2,0,0,0,0,0|2,0,0]=4 1650 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_100011356853_200025704644 [2,0,0,0,0,0|2,0,0]=4 1651 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100011356853 [2,0,0,0,0,0|2,0,0]=4 1652 B11R1.280 COc1cc(ccc1F)CN 34a_100160469508_200000210301 [2,0,0,0,0,0|2,0,0]=4 1653 B11R1.280 COc1cc(ccc1F)CO 34a_100009842347_200000210301 [2,0,0,0,0,0|1,0,0]=3 1654 B11R1.280 COc1cc(ccc1F)CO 7a_100009842347_200000210301 [2,0,0,0,0,0|1,0,0]=3 1655 B11R1.280 COc1cc(ccc1F)N[13CH3] 2230a_100000701188_200025704644 [2,0,0,0,0,0|2,0,0]=4 1656 B11R1.280 COc1cc(ccc1F)N[13CH3] 34a_100000701188_200025704644 [2,0,0,0,0,0|2,0,0]=4 1657 B11R1.280 COc1cc(ccc1F)O[13CH3] 34a_100012001760_200025704644 [2,0,0,0,0,0|2,0,0]=4 1658 B11R1.280 COc1cc(ccc1F)O[13CH3] 7a_100012001760_200025704644 [2,0,0,0,0,0|2,0,0]=4 1659 B11R1.280 COc1cc(ccc1F)SC 62a_100011934186_200000210301 [2,0,0,0,0,0|2,0,0]=4 1660 B11R1.280 COc1cc(ccc1F)SC 62a_200000210301_100011934186 [2,0,0,0,0,0|2,0,0]=4 1661 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_100011934186_200025704644 [2,0,0,0,0,0|2,0,0]=4 1662 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_200025704644_100011934186 [2,0,0,0,0,0|2,0,0]=4 1663 B11R1.280 COc1cc(ccc1I)CO 34a_100000049605_200000210301 [2,0,0,0,0,0|1,0,0]=3 1664 B11R1.280 COc1cc(ccc1I)CO 7a_100000049605_200000210301 [2,0,0,0,0,0|1,0,0]=3 1665 B11R1.280 COc1cc(ccc1I)N[13CH3] 34a_100000746945_200025704644 [2,0,0,0,0,0|2,0,0]=4 1666 B11R1.280 COc1cc(ccc1N)O[13CH3] 34a_100015326901_200025704644 [2,0,0,0,0,0|2,0,0]=4 1667 B11R1.280 COc1cc(ccc1N)O[13CH3] 7a_100015326901_200025704644 [2,0,0,0,0,0|2,0,0]=4 1668 B11R1.280 COc1cc(ccc1N)SC 62a_100011279103_200000210301 [2,0,0,0,0,0|2,0,0]=4 1669 B11R1.280 COc1cc(ccc1N)SC 62a_200000210301_100015196925 [2,0,0,0,0,0|2,0,0]=4 1670 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_100011279103_200025704644 [2,0,0,0,0,0|2,0,0]=4 1671 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_200025704644_100015196925 [2,0,0,0,0,0|2,0,0]=4 1672 B11R1.280 COc1cc(ccc1O)C#N 271570a_203496583355_100012356288 [2,0,0,0,0,0|1,0,1]=4 1673 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [2,0,0,0,0,0|0,0,1]=3 1674 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [2,0,0,0,0,0|0,0,0]=2 1675 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [2,0,0,0,0,0|1,0,0]=3 1676 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [2,0,0,0,0,0|1,0,0]=3 1677 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [2,0,0,0,0,0|1,0,0]=3 1678 B11R1.280 COc1cc(ncc1O)CO 271570a_203496583355_100010999569 [2,0,0,0,0,0|1,0,0]=3 1679 B11R1.280 COc1ccc(c(c1)N[13CH3])O 34a_100000188146_200025704644 [2,0,0,0,0,0|2,0,0]=4 1680 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100000719091_200000210301 [2,0,0,0,0,0|2,0,0]=4 1681 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100011827694_200000210301 [2,0,0,0,0,0|2,0,0]=4 1682 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100000719091_200000210301 [2,0,0,0,0,0|2,0,0]=4 1683 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100011827694_200000210301 [2,0,0,0,0,0|2,0,0]=4 1684 B11R1.280 COc1ccc(c(c1)OC)C 34a_100009865632_200000210301 [2,0,0,0,0,0|2,0,0]=4 1685 B11R1.280 COc1ccc(c(c1)OC)C 34a_100012179981_200000210301 [2,0,0,0,0,0|2,0,0]=4 1686 B11R1.280 COc1ccc(c(c1)OC)C 7a_100009865632_200000210301 [2,0,0,0,0,0|2,0,0]=4 1687 B11R1.280 COc1ccc(c(c1)OC)C 7a_100012179981_200000210301 [2,0,0,0,0,0|2,0,0]=4 1688 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100011516019_200000210301 [2,0,0,0,0,0|2,0,0]=4 1689 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100012186310_200000210301 [2,0,0,0,0,0|2,0,0]=4 1690 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100011516019_200000210301 [2,0,0,0,0,0|2,0,0]=4 1691 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100012186310_200000210301 [2,0,0,0,0,0|2,0,0]=4 1692 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012001760_200000210301 [2,0,0,0,0,0|2,0,0]=4 1693 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012178750_200000210301 [2,0,0,0,0,0|2,0,0]=4 1694 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012001760_200000210301 [2,0,0,0,0,0|2,0,0]=4 1695 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012178750_200000210301 [2,0,0,0,0,0|2,0,0]=4 1696 B11R1.280 COc1ccc(c(c1)OC)I 34a_100010168831_200000210301 [2,0,0,0,0,0|2,0,0]=4 1697 B11R1.280 COc1ccc(c(c1)OC)I 7a_100010168831_200000210301 [2,0,0,0,0,0|2,0,0]=4 1698 B11R1.280 COc1ccc(c(c1)OC)N 34a_100015326901_200000210301 [2,0,0,0,0,0|2,0,0]=4 1699 B11R1.280 COc1ccc(c(c1)OC)N 34a_100016989039_200000210301 [2,0,0,0,0,0|2,0,0]=4 1700 B11R1.280 COc1ccc(c(c1)OC)N 7a_100015326901_200000210301 [2,0,0,0,0,0|2,0,0]=4 1701 B11R1.280 COc1ccc(c(c1)OC)N 7a_100016989039_200000210301 [2,0,0,0,0,0|2,0,0]=4 1702 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [2,0,0,0,0,0|1,0,0]=3 1703 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 34a_100000719091_200025704644 [2,0,0,0,0,0|2,0,0]=4 1704 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 7a_100000719091_200025704644 [2,0,0,0,0,0|2,0,0]=4 1705 B11R1.280 COc1ccc(c(c1)O[13CH3])C 34a_100012179981_200025704644 [2,0,0,0,0,0|2,0,0]=4 1706 B11R1.280 COc1ccc(c(c1)O[13CH3])C 7a_100012179981_200025704644 [2,0,0,0,0,0|2,0,0]=4 1707 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 34a_100011516019_200025704644 [2,0,0,0,0,0|2,0,0]=4 1708 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 7a_100011516019_200025704644 [2,0,0,0,0,0|2,0,0]=4 1709 B11R1.280 COc1ccc(c(c1)O[13CH3])F 34a_100012178750_200025704644 [2,0,0,0,0,0|2,0,0]=4 1710 B11R1.280 COc1ccc(c(c1)O[13CH3])F 7a_100012178750_200025704644 [2,0,0,0,0,0|2,0,0]=4 1711 B11R1.280 COc1ccc(c(c1)O[13CH3])I 34a_100010168831_200025704644 [2,0,0,0,0,0|2,0,0]=4 1712 B11R1.280 COc1ccc(c(c1)O[13CH3])I 7a_100010168831_200025704644 [2,0,0,0,0,0|2,0,0]=4 1713 B11R1.280 COc1ccc(c(c1)O[13CH3])N 34a_100016989039_200025704644 [2,0,0,0,0,0|2,0,0]=4 1714 B11R1.280 COc1ccc(c(c1)O[13CH3])N 7a_100016989039_200025704644 [2,0,0,0,0,0|2,0,0]=4 1715 B11R1.280 COc1ccc(c(c1)SC)O 62a_200000210301_100000685887 [2,0,0,0,0,0|1,1,0]=4 1716 B11R1.280 COc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000685887 [2,0,0,0,0,0|1,1,0]=4 1717 B11R1.280 COc1ccc(c(n1)OC)O 271570a_203496583355_100009816055 [2,0,0,0,0,0|2,0,0]=4 1718 B11R1.280 COc1nc(ccc1O)SC 62a_200000210301_100010893133 [2,0,0,0,0,0|2,0,0]=4 1719 B11R1.280 COc1nc(ccc1O)S[13CH3] 62a_200025704644_100010893133 [2,0,0,0,0,0|2,0,0]=4 1720 B11R1.280 CSc1cc(ccc1C)CO 62a_100000708995_200000210301 [2,0,0,0,0,0|1,1,0]=4 1721 B11R1.280 CSc1cc(ccc1C)CO 62a_200000210301_100000708995 [2,0,0,0,0,0|1,1,0]=4 1722 B11R1.280 CSc1cc(ccc1F)CO 62a_100000246287_200000210301 [2,0,0,0,0,0|1,1,0]=4 1723 B11R1.280 CSc1cc(ccc1F)CO 62a_200000210301_100000246287 [2,0,0,0,0,0|1,1,0]=4 1724 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [2,0,0,0,0,0|0,1,1]=4 1725 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [2,0,0,0,0,0|0,1,1]=4 1726 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [2,0,0,0,0,0|0,1,0]=3 1727 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [2,0,0,0,0,0|0,1,0]=3 1728 B11R1.280 CSc1nc(ccc1O)CO 62a_200000210301_200000118097 [2,0,0,0,0,0|1,1,0]=4 1729 B11R1.280 CSc1nc(ccc1O)CO 62a_200009817064_200000210301 [2,0,0,0,0,0|1,1,0]=4 1730 B11R1.280 Cc1ccc(cc1N[13CH3])CO 2230a_100000758420_200025704644 [2,0,0,0,0,0|2,0,0]=4 1731 B11R1.280 Cc1ccc(cc1N[13CH3])CO 34a_100000758420_200025704644 [2,0,0,0,0,0|2,0,0]=4 1732 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_100000708995_200025704644 [2,0,0,0,0,0|1,1,0]=4 1733 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_200025704644_100000708995 [2,0,0,0,0,0|1,1,0]=4 1734 B11R1.280 N#Cc1cc(ccc1O)CO 271570a_203496583355_100010145894 [2,0,0,0,0,0|2,0,0]=4 1735 B11R1.280 [13CH3]Nc1cc(ccc1Br)CO 34a_100012347568_200025704644 [2,0,0,0,0,0|2,0,0]=4 1736 B11R1.280 [13CH3]Nc1cc(ccc1Cl)CO 34a_106256033963_200025704644 [2,0,0,0,0,0|2,0,0]=4 1737 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 2230a_102125399562_200025704644 [2,0,0,0,0,0|2,0,0]=4 1738 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 34a_102125399562_200025704644 [2,0,0,0,0,0|2,0,0]=4 1739 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [2,0,0,0,0,0|1,0,0]=3 1740 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 34a_100010191536_200025704644 [2,0,0,0,0,0|1,0,0]=3 1741 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 7a_100010191536_200025704644 [2,0,0,0,0,0|1,0,0]=3 1742 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CN 34a_100020636435_200025704644 [2,0,0,0,0,0|2,0,0]=4 1743 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 34a_100009876509_200025704644 [2,0,0,0,0,0|1,0,0]=3 1744 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 7a_100009876509_200025704644 [2,0,0,0,0,0|1,0,0]=3 1745 B11R1.280 [13CH3]Oc1cc(ccc1F)CN 34a_100160469508_200025704644 [2,0,0,0,0,0|2,0,0]=4 1746 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 34a_100009842347_200025704644 [2,0,0,0,0,0|1,0,0]=3 1747 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 7a_100009842347_200025704644 [2,0,0,0,0,0|1,0,0]=3 1748 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 34a_100000049605_200025704644 [2,0,0,0,0,0|1,0,0]=3 1749 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 7a_100000049605_200025704644 [2,0,0,0,0,0|1,0,0]=3 1750 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_100000246287_200025704644 [2,0,0,0,0,0|1,1,0]=4 1751 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_200025704644_100000246287 [2,0,0,0,0,0|1,1,0]=4 1752 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [2,0,0,0,0,0|0,1,1]=4 1753 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [2,0,0,0,0,0|0,1,1]=4 1754 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [2,0,0,0,0,0|0,1,0]=3 1755 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [2,0,0,0,0,0|0,1,0]=3 1756 B11R1.280 [13CH3]Sc1nc(ccc1O)CO 62a_200009817064_200025704644 [2,0,0,0,0,0|1,1,0]=4 1757 B11R1.280 [13CH3]Sc1nc(ccc1O)CO 62a_200025704644_200000118097 [2,0,0,0,0,0|1,1,0]=4 1758 B11R1.24 Cc1cccc(c1)NCCO 2230a_100000188690_100000211926 [2,0,0,0,0,0|1,0,1]=4 1759 B11R1.24 Cc1cccc(c1)NCCO 34a_100000188690_100000211926 [2,0,0,0,0,0|1,0,1]=4 1760 B11R1.24 Cc1cccc(c1)OCCO 34a_100000210337_100000211926 [2,0,0,0,0,0|1,0,1]=4 1761 B11R1.24 Cc1cccc(c1)OCCO 7a_100000210337_100000211926 [2,0,0,0,0,0|1,0,1]=4 1762 B11R1.24 Cc1cccc(c1)SCCO 62a_100000211926_100011215228 [2,0,0,0,0,0|1,0,1]=4 1763 B11R1.24 Cc1cccc(c1)SCCO 62a_100011215228_100000211926 [2,0,0,0,0,0|1,0,1]=4 1764 B11R1.24 OCC#Cc1cccc(c1)O 271570a_203496583355_100009814051 [2,0,0,0,0,0|0,0,2]=4 1765 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [2,0,0,0,0,0|0,0,2]=4 1766 B11R1.24 OCCNc1cccc(c1)O 34a_100000210217_100000211926 [2,0,0,0,0,0|1,0,1]=4 1767 B11R1.24 OCCOc1cccc(c1)O 271570a_203496583355_100000757546 [2,0,0,0,0,0|1,0,1]=4 1768 B11R1.24 OCCSc1cccc(c1)O 271570a_203496583355_200011756134 [2,0,0,0,0,0|1,0,1]=4 1769 B11R1.24 OCCSc1cccc(c1)O 62a_100000211926_100000211634 [2,0,0,0,0,0|1,0,1]=4 1770 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [2,0,0,0,0,0|2,0,0]=4 1771 B11R1.1 OCC#Cc1ccc(cc1)O 271570a_203496583355_100009814260 [2,0,0,0,0,0|0,0,2]=4 1772 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [2,0,0,0,0,0|0,0,2]=4 1773 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [2,0,0,0,0,0|1,0,1]=4 1774 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [2,0,0,0,0,0|1,0,1]=4 1775 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [2,0,0,0,0,0|1,0,1]=4 1776 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210202 [1,1,0,0,0,0|1,0,1]=4 1777 B13R1.49 CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210202 [1,1,0,0,0,0|1,0,1]=4 1778 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210202 [1,1,0,0,0,0|1,0,1]=4 1779 B13R1.49 CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210202 [1,1,0,0,0,0|1,0,1]=4 1780 B13R1.49 CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210202 [1,1,0,0,0,0|1,0,1]=4 1781 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210202 [1,1,0,0,0,0|0,0,1]=3 1782 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 11a_106832991635_100011934951 [1,1,0,0,0,0|2,0,0]=4 1783 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 1626a_100102657272_100011934951 [1,1,0,0,0,0|2,0,0]=4 1784 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 240690a_100102657272_100011934951 [1,1,0,0,0,0|2,0,0]=4 1785 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 527a_100102657272_100011934951 [1,1,0,0,0,0|2,0,0]=4 1786 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 11a_106832991635_100000212341 [1,1,0,0,0,0|2,0,0]=4 1787 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 1626a_100102657272_100000212341 [1,1,0,0,0,0|2,0,0]=4 1788 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 240690a_100102657272_100000212341 [1,1,0,0,0,0|2,0,0]=4 1789 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 527a_100102657272_100000212341 [1,1,0,0,0,0|2,0,0]=4 1790 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 11a_106832991635_100000181799 [1,1,0,0,0,0|2,0,0]=4 1791 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 1626a_100102657272_100000181799 [1,1,0,0,0,0|2,0,0]=4 1792 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 240690a_100102657272_100000181799 [1,1,0,0,0,0|2,0,0]=4 1793 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 527a_100102657272_100000181799 [1,1,0,0,0,0|2,0,0]=4 1794 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 11a_106832991635_100000757635 [1,1,0,0,0,0|2,0,0]=4 1795 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 1626a_100102657272_100000757635 [1,1,0,0,0,0|2,0,0]=4 1796 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 240690a_100102657272_100000757635 [1,1,0,0,0,0|2,0,0]=4 1797 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 527a_100102657272_100000757635 [1,1,0,0,0,0|2,0,0]=4 1798 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 11a_106832991635_100012356290 [1,1,0,0,0,0|2,0,0]=4 1799 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 1626a_100102657272_100012356290 [1,1,0,0,0,0|2,0,0]=4 1800 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 240690a_100102657272_100012356290 [1,1,0,0,0,0|2,0,0]=4 1801 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 527a_100102657272_100012356290 [1,1,0,0,0,0|2,0,0]=4 1802 B13R1.49 CNC(=O)c1ccc(c(c1)OC)O 240690a_100102657272_100000687070 [1,1,0,0,0,0|1,0,0]=3 1803 B13R1.49 COC(=O)c1cc(c(cn1)O)OC 271570a_203496583355_100010136178 [1,1,0,0,0,0|2,0,0]=4 1804 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 34a_100011934688_200000210301 [1,1,0,0,0,0|2,0,0]=4 1805 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 7a_100011934688_200000210301 [1,1,0,0,0,0|2,0,0]=4 1806 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 34a_100000736511_200000210301 [1,1,0,0,0,0|2,0,0]=4 1807 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 7a_100000736511_200000210301 [1,1,0,0,0,0|2,0,0]=4 1808 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 34a_100000103815_200000210301 [1,1,0,0,0,0|2,0,0]=4 1809 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 7a_100000103815_200000210301 [1,1,0,0,0,0|2,0,0]=4 1810 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 34a_100000062259_200000210301 [1,1,0,0,0,0|2,0,0]=4 1811 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 7a_100000062259_200000210301 [1,1,0,0,0,0|2,0,0]=4 1812 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 34a_100012350776_200000210301 [1,1,0,0,0,0|2,0,0]=4 1813 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 7a_100012350776_200000210301 [1,1,0,0,0,0|2,0,0]=4 1814 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 34a_100000757247_200000210301 [1,1,0,0,0,0|2,0,0]=4 1815 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 7a_100000757247_200000210301 [1,1,0,0,0,0|2,0,0]=4 1816 B13R1.49 COC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100009816954 [1,1,0,0,0,0|1,0,0]=3 1817 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 34a_100011934688_200025704644 [1,1,0,0,0,0|2,0,0]=4 1818 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 7a_100011934688_200025704644 [1,1,0,0,0,0|2,0,0]=4 1819 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000736511_200025704644 [1,1,0,0,0,0|2,0,0]=4 1820 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000736511_200025704644 [1,1,0,0,0,0|2,0,0]=4 1821 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 34a_100000103815_200025704644 [1,1,0,0,0,0|2,0,0]=4 1822 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 7a_100000103815_200025704644 [1,1,0,0,0,0|2,0,0]=4 1823 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000062259_200025704644 [1,1,0,0,0,0|2,0,0]=4 1824 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000062259_200025704644 [1,1,0,0,0,0|2,0,0]=4 1825 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 34a_100012350776_200025704644 [1,1,0,0,0,0|2,0,0]=4 1826 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 7a_100012350776_200025704644 [1,1,0,0,0,0|2,0,0]=4 1827 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 34a_100000757247_200025704644 [1,1,0,0,0,0|2,0,0]=4 1828 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 7a_100000757247_200025704644 [1,1,0,0,0,0|2,0,0]=4 1829 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_100000216328_200000210301 [1,1,0,0,0,0|1,1,0]=4 1830 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_200000210301_100000216328 [1,1,0,0,0,0|1,1,0]=4 1831 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_100000216328_200025704644 [1,1,0,0,0,0|1,1,0]=4 1832 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100000216328 [1,1,0,0,0,0|1,1,0]=4 1833 B13R1.49 COC(=O)c1ccc(c(n1)OC)O 271570a_203496583355_100010189641 [1,1,0,0,0,0|2,0,0]=4 1834 B13R1.49 COC(=O)c1cnc(c(c1)OC)O 271570a_203496583355_100010074909 [1,1,0,0,0,0|2,0,0]=4 1835 B13R1.49 COc1cc(ccc1Br)C(=O)CF 1458a_100011934951_100015361967 [1,1,0,0,0,0|2,0,0]=4 1836 B13R1.49 COc1cc(ccc1C)C(=O)CF 1458a_100000212341_100015361967 [1,1,0,0,0,0|2,0,0]=4 1837 B13R1.49 COc1cc(ccc1Cl)C(=O)CF 1458a_100000181799_100015361967 [1,1,0,0,0,0|2,0,0]=4 1838 B13R1.49 COc1cc(ccc1F)C(=O)CF 1458a_100000757635_100015361967 [1,1,0,0,0,0|2,0,0]=4 1839 B13R1.49 COc1cc(ccc1I)C(=O)CF 1458a_100012356290_100015361967 [1,1,0,0,0,0|2,0,0]=4 1840 B13R1.49 COc1cc(ccc1O)C(=O)CF 1458a_100000687070_100015361967 [1,1,0,0,0,0|1,0,0]=3 1841 B13R1.52 CC(=Cc1ccc(c(c1)C#N)O)C 271570a_100102525489_100000687585 [1,1,0,0,0,0|2,0,0]=4 1842 B13R1.52 CC(=Cc1ccc(c(c1)C=O)O)C 271570a_100102525489_100000186750 [1,1,0,0,0,0|2,0,0]=4 1843 B13R1.52 CC(=Cc1ccc(c(c1)CN)O)C 271570a_100102525489_100000730032 [1,1,0,0,0,0|2,0,0]=4 1844 B13R1.52 CC(=Cc1ccc(c(c1)CO)O)C 271570a_100102525489_100000184703 [1,1,0,0,0,0|2,0,0]=4 1845 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010141077_200025704644 [1,1,0,0,0,0|0,1,1]=4 1846 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010141077 [1,1,0,0,0,0|0,1,1]=4 1847 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 34a_100011935283_200025704644 [1,1,0,0,0,0|2,0,0]=4 1848 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 7a_100011935283_200025704644 [1,1,0,0,0,0|2,0,0]=4 1849 B13R1.52 CCc1cc(ccc1Br)C=C(C)C 271570a_100102525489_100010244631 [1,1,0,0,0,0|2,0,0]=4 1850 B13R1.52 CCc1cc(ccc1F)C=C(C)C 271570a_100102525489_100010244625 [1,1,0,0,0,0|2,0,0]=4 1851 B13R1.52 CCc1cc(ccc1N)C=C(C)C 271570a_100102525489_100000686106 [1,1,0,0,0,0|2,0,0]=4 1852 B13R1.52 CCc1cc(ccc1O)C=C(C)C 271570a_100102525489_100012338938 [1,1,0,0,0,0|1,0,0]=3 1853 B13R1.52 CNc1cc(ccc1C)C=C(C)C 271570a_100102525489_100020629602 [1,1,0,0,0,0|2,0,0]=4 1854 B13R1.52 CNc1cc(ccc1F)C=C(C)C 271570a_100102525489_100011314990 [1,1,0,0,0,0|2,0,0]=4 1855 B13R1.52 CNc1cc(ccc1N)C=C(C)C 271570a_100102525489_100000694363 [1,1,0,0,0,0|2,0,0]=4 1856 B13R1.52 COc1cc(c[nH]c1=O)C=C(C)C 271570a_100102525489_100010125397 [1,1,0,0,0,0|1,0,1]=4 1857 B13R1.52 COc1cc(ccc1Br)C=C(C)C 271570a_100102525489_100012353699 [1,1,0,0,0,0|1,0,0]=3 1858 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [1,1,0,0,0,0|1,0,1]=4 1859 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [1,1,0,0,0,0|1,0,1]=4 1860 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [1,1,0,0,0,0|1,0,1]=4 1861 B13R1.52 COc1cc(ccc1Br)NC(=O)C 11a_100000765947_100015343762 [1,1,0,0,0,0|2,0,0]=4 1862 B13R1.52 COc1cc(ccc1Br)NC(=O)C 1626a_100000765947_100015343762 [1,1,0,0,0,0|2,0,0]=4 1863 B13R1.52 COc1cc(ccc1Br)NC(=O)C 22a_100000765947_100000070787 [1,1,0,0,0,0|2,0,0]=4 1864 B13R1.52 COc1cc(ccc1Br)NC(=O)C 527a_100000765947_100103153847 [1,1,0,0,0,0|2,0,0]=4 1865 B13R1.52 COc1cc(ccc1C)C=C(C)C 271570a_100102525489_100011830276 [1,1,0,0,0,0|1,0,0]=3 1866 B13R1.52 COc1cc(ccc1C)NC(=O)C 11a_100011279678_100015343762 [1,1,0,0,0,0|2,0,0]=4 1867 B13R1.52 COc1cc(ccc1C)NC(=O)C 1626a_100011279678_100015343762 [1,1,0,0,0,0|2,0,0]=4 1868 B13R1.52 COc1cc(ccc1C)NC(=O)C 22a_100011279678_100000070787 [1,1,0,0,0,0|2,0,0]=4 1869 B13R1.52 COc1cc(ccc1C)NC(=O)C 527a_100011279678_100103153847 [1,1,0,0,0,0|2,0,0]=4 1870 B13R1.52 COc1cc(ccc1Cl)C=C(C)C 271570a_100102525489_100011356853 [1,1,0,0,0,0|1,0,0]=3 1871 B13R1.52 COc1cc(ccc1Cl)CC(=O)C 1458a_100000070787_200010214485 [1,1,0,0,0,0|1,0,1]=4 1872 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 11a_100000742311_100015343762 [1,1,0,0,0,0|2,0,0]=4 1873 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 1626a_100000742311_100015343762 [1,1,0,0,0,0|2,0,0]=4 1874 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 22a_100000742311_100000070787 [1,1,0,0,0,0|2,0,0]=4 1875 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 34a_100011935283_200000210301 [1,1,0,0,0,0|2,0,0]=4 1876 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 527a_100000742311_100103153847 [1,1,0,0,0,0|2,0,0]=4 1877 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 7a_100011935283_200000210301 [1,1,0,0,0,0|2,0,0]=4 1878 B13R1.52 COc1cc(ccc1F)C=C(C)C 271570a_100102525489_100011934186 [1,1,0,0,0,0|1,0,0]=3 1879 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000070787_100012349856 [1,1,0,0,0,0|1,0,1]=4 1880 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000117344_200000210301 [1,1,0,0,0,0|1,0,1]=4 1881 B13R1.52 COc1cc(ccc1F)CC(=O)[13CH3] 1458a_100000117344_200025704644 [1,1,0,0,0,0|1,0,1]=4 1882 B13R1.52 COc1cc(ccc1F)NC(=O)C 11a_100000701188_100015343762 [1,1,0,0,0,0|2,0,0]=4 1883 B13R1.52 COc1cc(ccc1F)NC(=O)C 1626a_100000701188_100015343762 [1,1,0,0,0,0|2,0,0]=4 1884 B13R1.52 COc1cc(ccc1F)NC(=O)C 22a_100000701188_100000070787 [1,1,0,0,0,0|2,0,0]=4 1885 B13R1.52 COc1cc(ccc1F)NC(=O)C 527a_100000701188_100103153847 [1,1,0,0,0,0|2,0,0]=4 1886 B13R1.52 COc1cc(ccc1I)NC(=O)C 11a_100000746945_100015343762 [1,1,0,0,0,0|2,0,0]=4 1887 B13R1.52 COc1cc(ccc1I)NC(=O)C 1626a_100000746945_100015343762 [1,1,0,0,0,0|2,0,0]=4 1888 B13R1.52 COc1cc(ccc1I)NC(=O)C 22a_100000746945_100000070787 [1,1,0,0,0,0|2,0,0]=4 1889 B13R1.52 COc1cc(ccc1I)NC(=O)C 527a_100000746945_100103153847 [1,1,0,0,0,0|2,0,0]=4 1890 B13R1.52 COc1cc(ccc1N)C=C(C)C 271570a_100102525489_100011279103 [1,1,0,0,0,0|1,0,0]=3 1891 B13R1.52 COc1cc(ccc1O)C=C(C)C 271570a_100102525489_100000694246 [1,1,0,0,0,0|0,0,0]=2 1892 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [1,1,0,0,0,0|0,0,1]=3 1893 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [1,1,0,0,0,0|0,0,1]=3 1894 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [1,1,0,0,0,0|1,0,0]=3 1895 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [1,1,0,0,0,0|1,0,0]=3 1896 B13R1.52 COc1cc(ccc1O)NC(C)C 34a_100000726020_100000210206 [1,1,0,0,0,0|1,0,1]=4 1897 B13R1.52 COc1cc(ccc1O)SC(C)C 62a_100000210206_100000694246 [1,1,0,0,0,0|1,0,1]=4 1898 B13R1.52 COc1cc(cnc1C)C=C(C)C 271570a_100102525489_100010254219 [1,1,0,0,0,0|2,0,0]=4 1899 B13R1.52 COc1cc(cnc1F)C=C(C)C 271570a_100102525489_100010214931 [1,1,0,0,0,0|2,0,0]=4 1900 B13R1.52 COc1cc(cnc1N)C=C(C)C 271570a_100102525489_106354213024 [1,1,0,0,0,0|2,0,0]=4 1901 B13R1.52 COc1cc(ncc1C)C=C(C)C 271570a_100102525489_100010067687 [1,1,0,0,0,0|2,0,0]=4 1902 B13R1.52 COc1cc(ncc1F)C=C(C)C 271570a_100102525489_200010136270 [1,1,0,0,0,0|2,0,0]=4 1903 B13R1.52 COc1cc(ncc1N)C=C(C)C 271570a_100102525489_100009887741 [1,1,0,0,0,0|2,0,0]=4 1904 B13R1.52 COc1nc(ccc1N)C=C(C)C 271570a_100102525489_100000687816 [1,1,0,0,0,0|2,0,0]=4 1905 B13R1.52 COc1nc(ccc1O)C=C(C)C 271570a_100102525489_100010893133 [1,1,0,0,0,0|1,0,0]=3 1906 B13R1.52 COc1nc(cnc1O)C=C(C)C 271570a_100102525489_200010365344 [1,1,0,0,0,0|2,0,0]=4 1907 B13R1.52 CSc1cc(ccc1F)C=C(C)C 271570a_100102525489_100010341305 [1,1,0,0,0,0|1,1,0]=4 1908 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_100010141077_200000210301 [1,1,0,0,0,0|0,1,1]=4 1909 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_200000210301_100010141077 [1,1,0,0,0,0|0,1,1]=4 1910 B13R1.384 CC=Cc1cc(c(cn1)N)OCC 271570a_100016259895_100015764953 [1,1,0,0,0,0|2,0,0]=4 1911 B13R1.384 CC=Cc1ccc(c(c1)CNC)C 271570a_100016259895_106744473289 [1,1,0,0,0,0|2,0,0]=4 1912 B13R1.384 CC=Cc1ccc(c(c1)CNC)F 271570a_100016259895_100000748472 [1,1,0,0,0,0|2,0,0]=4 1913 B13R1.384 CC=Cc1ccc(c(c1)CNC)O 271570a_100016259895_100011602694 [1,1,0,0,0,0|1,0,0]=3 1914 B13R1.384 CC=Cc1ccc(c(c1)COC)Br 271570a_100016259895_202125822959 [1,1,0,0,0,0|1,0,0]=3 1915 B13R1.384 CC=Cc1ccc(c(c1)COC)F 271570a_100016259895_100010140362 [1,1,0,0,0,0|1,0,0]=3 1916 B13R1.384 CC=Cc1ccc(c(c1)NCC)N 271570a_100016259895_100000696630 [1,1,0,0,0,0|2,0,0]=4 1917 B13R1.384 CC=Cc1ccc(c(c1)OCC)C 271570a_100016259895_100012361169 [1,1,0,0,0,0|1,0,0]=3 1918 B13R1.384 CC=Cc1ccc(c(c1)OCC)F 271570a_100016259895_200012344967 [1,1,0,0,0,0|1,0,0]=3 1919 B13R1.384 CC=Cc1ccc(c(c1)OCC)N 271570a_100016259895_100000688918 [1,1,0,0,0,0|1,0,0]=3 1920 B13R1.384 CC=Cc1cnc(c(c1)OCC)F 271570a_100016259895_100010732568 [1,1,0,0,0,0|2,0,0]=4 1921 B13R1.384 CCOc1cc(ccc1O)CNC 34a_200000751567_200000210301 [1,1,0,0,0,0|1,0,1]=4 1922 B13R1.384 CCOc1cc(ccc1O)CN[13CH3] 34a_200000751567_200025704644 [1,1,0,0,0,0|1,0,1]=4 1923 B13R1.386 C=C=Cc1ccc(c(c1)OC)CO 271570a_100015277604_100011277633 [1,1,0,0,0,0|0,0,2]=4 1924 B13R1.386 C=C=Cc1ccc(c(c1)OC)OC 271570a_100015277604_100000187503 [1,1,0,0,0,0|0,0,2]=4 1925 B13R1.386 C=CCc1ccc(c(c1)OC)OC 34a_100000181329_200000210301 [1,1,0,0,0,0|0,0,2]=4 1926 B13R1.386 C=CCc1ccc(c(c1)OC)O[13CH3] 34a_100000181329_200025704644 [1,1,0,0,0,0|0,0,2]=4 1927 B13R1.386 CC=Cc1cc(c(cn1)C#N)OC 271570a_100016259895_100009830018 [1,1,0,0,0,0|2,0,0]=4 1928 B13R1.386 CC=Cc1cc(c(cn1)CO)OC 271570a_100016259895_100010714672 [1,1,0,0,0,0|1,0,0]=3 1929 B13R1.386 CC=Cc1cc(c(nn1)OC)OC 271570a_100016259895_200000095610 [1,1,0,0,0,0|2,0,0]=4 1930 B13R1.386 CC=Cc1ccc(c(c1)C#N)OC 271570a_100016259895_100000188252 [1,1,0,0,0,0|2,0,0]=4 1931 B13R1.386 CC=Cc1ccc(c(c1)C=O)OC 271570a_100016259895_100000170026 [1,1,0,0,0,0|2,0,0]=4 1932 B13R1.386 CC=Cc1ccc(c(c1)CC)C=O 271570a_100016259895_100010209654 [1,1,0,0,0,0|1,0,1]=4 1933 B13R1.386 CC=Cc1ccc(c(c1)CC)NN 271570a_100016259895_100000700371 [1,1,0,0,0,0|2,0,0]=4 1934 B13R1.386 CC=Cc1ccc(c(c1)CC)OC 271570a_100016259895_200010179862 [1,1,0,0,0,0|1,0,0]=3 1935 B13R1.386 CC=Cc1ccc(c(c1)CN)OC 271570a_100016259895_100000690498 [1,1,0,0,0,0|2,0,0]=4 1936 B13R1.386 CC=Cc1ccc(c(c1)CO)CO 271570a_100016259895_100000719600 [1,1,0,0,0,0|2,0,0]=4 1937 B13R1.386 CC=Cc1ccc(c(c1)CO)OC 271570a_100016259895_100000204679 [1,1,0,0,0,0|2,0,0]=4 1938 B13R1.386 CC=Cc1ccc(c(c1)NC)C#N 271570a_100016259895_200012356631 [1,1,0,0,0,0|2,0,0]=4 1939 B13R1.386 CC=Cc1ccc(c(c1)OC)C#N 271570a_100016259895_100000694671 [1,1,0,0,0,0|1,0,0]=3 1940 B13R1.386 CC=Cc1ccc(c(c1)OC)C=O 271570a_100016259895_100000697075 [1,1,0,0,0,0|0,0,1]=3 1941 B13R1.386 CC=Cc1ccc(c(c1)OC)CC 271570a_100016259895_200010710398 [1,1,0,0,0,0|1,0,0]=3 1942 B13R1.386 CC=Cc1ccc(c(c1)OC)CO 271570a_100016259895_100011277633 [1,1,0,0,0,0|0,0,0]=2 1943 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 271570a_100016259895_100000187503 [1,1,0,0,0,0|0,0,0]=2 1944 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 34a_100015195088_200000210301 [1,1,0,0,0,0|0,0,0]=2 1945 B13R1.386 CC=Cc1ccc(c(c1)OC)O[13CH3] 34a_100015195088_200025704644 [1,1,0,0,0,0|0,0,0]=2 1946 B13R1.386 CC=Cc1ccc(c(c1)OC)SC 271570a_100016259895_200011001119 [1,1,0,0,0,0|0,1,0]=3 1947 B13R1.386 CC=Cc1ccc(c(c1)SC)OC 271570a_100016259895_200009892704 [1,1,0,0,0,0|0,1,0]=3 1948 B13R1.386 CC=Cc1ccc(c(n1)OC)C#N 271570a_100016259895_100000708423 [1,1,0,0,0,0|2,0,0]=4 1949 B13R1.386 CC=Cc1ccc(c(n1)OC)C=O 271570a_100016259895_100009864722 [1,1,0,0,0,0|1,0,1]=4 1950 B13R1.386 CC=Cc1ccc(c(n1)OC)CN 271570a_100016259895_100015687481 [1,1,0,0,0,0|2,0,0]=4 1951 B13R1.386 CC=Cc1ccc(c(n1)OC)CO 271570a_100016259895_100010988397 [1,1,0,0,0,0|1,0,0]=3 1952 B13R1.386 CC=Cc1ccc(c(n1)OC)OC 271570a_100016259895_100010214848 [1,1,0,0,0,0|1,0,0]=3 1953 B13R1.386 CC=Cc1cnc(c(c1)OC)C#N 271570a_100016259895_100000719880 [1,1,0,0,0,0|2,0,0]=4 1954 B13R1.386 CC=Cc1cnc(c(c1)OC)C=O 271570a_100016259895_100010246152 [1,1,0,0,0,0|1,0,1]=4 1955 B13R1.386 CC=Cc1cnc(c(c1)OC)CO 271570a_100016259895_200010246159 [1,1,0,0,0,0|1,0,0]=3 1956 B13R1.386 CC=Cc1cnc(c(c1)OC)OC 271570a_100016259895_100010234541 [1,1,0,0,0,0|1,0,0]=3 1957 B13R1.386 CC=Cc1cnc(c(n1)OC)OC 271570a_100016259895_100010132954 [1,1,0,0,0,0|2,0,0]=4 1958 B13R1.386 CC=Cc1ncc(c(n1)OC)CO 271570a_100016259895_200011024631 [1,1,0,0,0,0|2,0,0]=4 1959 B13R1.386 CC=Cc1ncc(c(n1)OC)OC 271570a_100016259895_100010280452 [1,1,0,0,0,0|2,0,0]=4 1960 B13R1.386 CCCc1ccc(c(c1)OC)OC 34a_100000012292_200000210301 [1,1,0,0,0,0|0,0,2]=4 1961 B13R1.386 CCCc1ccc(c(c1)OC)OC 7a_100000012292_200000210301 [1,1,0,0,0,0|0,0,2]=4 1962 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 34a_100000012292_200025704644 [1,1,0,0,0,0|0,0,2]=4 1963 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 7a_100000012292_200025704644 [1,1,0,0,0,0|0,0,2]=4 1964 B13R1.386 CCNc1ccc(c(c1)OC)CO 34a_100012183141_100000210202 [1,1,0,0,0,0|1,0,1]=4 1965 B13R1.386 CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210202 [1,1,0,0,0,0|1,0,1]=4 1966 B13R1.386 CCOc1ccc(c(c1)OC)CO 34a_200000116926_100000210202 [1,1,0,0,0,0|1,0,1]=4 1967 B13R1.386 CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210202 [1,1,0,0,0,0|1,0,1]=4 1968 B13R1.386 CCSc1ccc(c(c1)OC)CO 62a_100000210202_100011277633 [1,1,0,0,0,0|1,0,1]=4 1969 B13R1.386 CCSc1ccc(c(c1)OC)CO 62a_100011277633_100000210202 [1,1,0,0,0,0|1,0,1]=4 1970 B13R1.386 CCSc1ccc(c(c1)OC)OC 62a_100000210202_100011356967 [1,1,0,0,0,0|1,0,1]=4 1971 B13R1.386 CNCc1ccc(c(c1)OC)OC 207a_100102657272_100000170513 [1,1,0,0,0,0|1,0,1]=4 1972 B13R1.386 CNCc1ccc(c(c1)OC)OC 2230a_106832991635_100011233839 [1,1,0,0,0,0|1,0,1]=4 1973 B13R1.386 CNCc1ccc(c(c1)OC)OC 270004a_106832991635_100000170513 [1,1,0,0,0,0|1,0,1]=4 1974 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000185555_200000210301 [1,1,0,0,0,0|1,0,1]=4 1975 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000188468_200000210301 [1,1,0,0,0,0|1,0,1]=4 1976 B13R1.386 CNCc1ccc(c(c1)O[13CH3])OC 34a_100000188468_200025704644 [1,1,0,0,0,0|1,0,1]=4 1977 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [1,1,0,0,0,0|1,0,1]=4 1978 B13R1.386 COc1cc(ccc1CO)NCF 34a_100012183141_100015361967 [1,1,0,0,0,0|2,0,0]=4 1979 B13R1.386 COc1cc(ccc1CO)OCF 34a_200000116926_100015361967 [1,1,0,0,0,0|2,0,0]=4 1980 B13R1.386 COc1cc(ccc1CO)SCF 62a_100011277633_100015361967 [1,1,0,0,0,0|2,0,0]=4 1981 B13R1.386 COc1cc(ccc1CO)SCF 62a_100015361967_100011277633 [1,1,0,0,0,0|2,0,0]=4 1982 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 34a_100010741665_200025704644 [1,1,0,0,0,0|1,0,1]=4 1983 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 7a_100010741665_200025704644 [1,1,0,0,0,0|1,0,1]=4 1984 B13R1.386 COc1cc(ccc1O[13CH3])CCN 34a_100000756042_200025704644 [1,1,0,0,0,0|1,0,1]=4 1985 B13R1.386 COc1cc(ccc1O[13CH3])CCO 34a_100011215244_200025704644 [1,1,0,0,0,0|0,0,1]=3 1986 B13R1.386 COc1ccc(cc1OC)CCBr 34a_100010741665_200000210301 [1,1,0,0,0,0|1,0,1]=4 1987 B13R1.386 COc1ccc(cc1OC)CCBr 7a_100010741665_200000210301 [1,1,0,0,0,0|1,0,1]=4 1988 B13R1.386 COc1ccc(cc1OC)CCN 34a_100000756042_200000210301 [1,1,0,0,0,0|1,0,1]=4 1989 B13R1.386 COc1ccc(cc1OC)CCN 34a_100011207234_200000210301 [1,1,0,0,0,0|1,0,1]=4 1990 B13R1.386 COc1ccc(cc1OC)CCO 34a_100011215244_200000210301 [1,1,0,0,0,0|0,0,1]=3 1991 B13R1.386 COc1ccc(cc1OC)CN[13CH3] 34a_100000185555_200025704644 [1,1,0,0,0,0|1,0,1]=4 1992 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [1,1,0,0,0,0|1,0,1]=4 1993 B13R1.386 COc1ccc(cc1OC)CSC 62a_200000210301_100011233839 [1,1,0,0,0,0|1,0,1]=4 1994 B13R1.386 COc1ccc(cc1OC)CS[13CH3] 62a_200025704644_100011233839 [1,1,0,0,0,0|1,0,1]=4 1995 B13R1.386 COc1ccc(cc1OC)NCF 34a_100000187404_100015361967 [1,1,0,0,0,0|2,0,0]=4 1996 B13R1.386 COc1ccc(cc1OC)OCF 34a_100000039706_100015361967 [1,1,0,0,0,0|2,0,0]=4 1997 B13R1.386 COc1ccc(cc1OC)SCF 62a_100015361967_100011356967 [1,1,0,0,0,0|2,0,0]=4 1998 B13R1.386 COc1ccc(cc1O[13CH3])CCN 34a_100011207234_200025704644 [1,1,0,0,0,0|1,0,1]=4 1999 B13R1.386 COc1ccc(cc1SC)CCO 62a_100011962876_200000210301 [1,1,0,0,0,0|0,1,1]=4 2000 B13R1.386 COc1ccc(cc1SC)CCO 62a_200000210301_100011962876 [1,1,0,0,0,0|0,1,1]=4 2001 B13R1.386 COc1ccc(cc1S[13CH3])CCO 62a_100011962876_200025704644 [1,1,0,0,0,0|0,1,1]=4 2002 B13R1.386 COc1ccc(cc1S[13CH3])CCO 62a_200025704644_100011962876 [1,1,0,0,0,0|0,1,1]=4 2003 B13R1.387 CC=Cc1ccc(c(c1)B(O)O)O 271570a_100016259895_200009814749 [1,1,0,0,0,0|2,0,0]=4 2004 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)C 271570a_100016259895_100012706819 [1,1,0,0,0,0|2,0,0]=4 2005 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100016259895_100010712560 [1,1,0,0,0,0|2,0,0]=4 2006 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)F 271570a_100016259895_100000689017 [1,1,0,0,0,0|2,0,0]=4 2007 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)N 271570a_100016259895_100000695420 [1,1,0,0,0,0|2,0,0]=4 2008 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016259895_100000212127 [1,1,0,0,0,0|1,0,0]=3 2009 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)O 271570a_100016259895_100000192807 [1,1,0,0,0,0|2,0,0]=4 2010 B13R1.387 CC=Cc1ccc(c(c1)C(C)C)F 271570a_100016259895_200053017515 [1,1,0,0,0,0|2,0,0]=4 2011 B13R1.387 CC=Cc1ccc(c(c1)C(C)C)N 271570a_100016259895_100000694223 [1,1,0,0,0,0|2,0,0]=4 2012 B13R1.387 CC=Cc1ccc(c(c1)C(C)C)O 271570a_100016259895_100000691460 [1,1,0,0,0,0|1,0,0]=3 2013 B13R1.387 CC=Cc1ccc(c(c1)C(C)O)F 271570a_100016259895_100011943926 [1,1,0,0,0,0|2,0,0]=4 2014 B13R1.387 CC=Cc1ccc(c(c1)N(C)C)F 271570a_100016259895_100010288836 [1,1,0,0,0,0|2,0,0]=4 2015 B13R1.1255 CC=Cc1ccc(c(c1F)OC)Cl 271570a_100016259895_200135222481 [1,1,0,0,0,0|1,0,0]=3 2016 B13R1.1255 CC=Cc1ccc(c(c1F)OC)N 271570a_100016259895_100010734149 [1,1,0,0,0,0|1,0,0]=3 2017 B13R1.1255 CC=Cc1ccc(c(c1F)SC)F 271570a_100016259895_202125771753 [1,1,0,0,0,0|1,1,0]=4 2018 B13R1.2900 C=C=Cc1cc(c(cc1F)O)OC 271570a_100015277604_100010189133 [1,1,0,0,0,0|0,0,2]=4 2019 B13R1.2900 CC=Cc1cc(c(cc1Br)Br)OC 271570a_100016259895_200014006352 [1,1,0,0,0,0|1,0,0]=3 2020 B13R1.2900 CC=Cc1cc(c(cc1C)F)OC 271570a_100016259895_100011009880 [1,1,0,0,0,0|1,0,0]=3 2021 B13R1.2900 CC=Cc1cc(c(cc1C)N)OC 271570a_100016259895_100010141321 [1,1,0,0,0,0|1,0,0]=3 2022 B13R1.2900 CC=Cc1cc(c(cc1F)Cl)OC 271570a_100016259895_100010739614 [1,1,0,0,0,0|1,0,0]=3 2023 B13R1.2900 CC=Cc1cc(c(cc1F)F)OC 271570a_100016259895_200015541288 [1,1,0,0,0,0|1,0,0]=3 2024 B13R1.2900 CC=Cc1cc(c(cc1F)N)NC 271570a_100016259895_100013631271 [1,1,0,0,0,0|2,0,0]=4 2025 B13R1.2900 CC=Cc1cc(c(cc1F)N)OC 271570a_100016259895_100012766639 [1,1,0,0,0,0|1,0,0]=3 2026 B13R1.2900 CC=Cc1cc(c(cc1F)O)C=O 271570a_100016259895_100010175118 [1,1,0,0,0,0|2,0,0]=4 2027 B13R1.2900 CC=Cc1cc(c(cc1F)O)OC 271570a_100016259895_100010189133 [1,1,0,0,0,0|0,0,0]=2 2028 B13R1.2900 CC=Cc1cc(c(cc1N)C)OC 271570a_100016259895_200010584344 [1,1,0,0,0,0|1,0,0]=3 2029 B13R1.2900 CC=Cc1cc(c(cc1N)F)OC 271570a_100016259895_100010365326 [1,1,0,0,0,0|1,0,0]=3 2030 B13R1.2900 CC=Cc1cc(c(cc1O)O)C=O 271570a_100016259895_200010132312 [1,1,0,0,0,0|2,0,0]=4 2031 B13R1.2900 CC=Cc1cc(c(nc1C)N)OC 271570a_100016259895_200010892190 [1,1,0,0,0,0|2,0,0]=4 2032 B13R1.2900 CCSc1cc(c(cc1F)O)OC 62a_100000210202_100010189133 [1,1,0,0,0,0|1,0,1]=4 2033 B13R1.2900 COc1cc(c(cc1O)F)SCF 62a_100015361967_100010189133 [1,1,0,0,0,0|2,0,0]=4 2034 B13R1.4030 CC=Cc1cc(c(c(c1)C#N)O)C 271570a_100016259895_100010195408 [1,1,0,0,0,0|2,0,0]=4 2035 B13R1.4030 CC=Cc1cc(c(c(c1)C=O)O)F 271570a_100016259895_100011217654 [1,1,0,0,0,0|2,0,0]=4 2036 B13R1.4030 CC=Cc1cc(c(c(c1)CC)N)C 271570a_100016259895_200000186424 [1,1,0,0,0,0|2,0,0]=4 2037 B13R1.4030 CC=Cc1cc(c(c(c1)CC)O)C 271570a_100016259895_100010659108 [1,1,0,0,0,0|1,0,0]=3 2038 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)C 271570a_100016259895_100010271686 [1,1,0,0,0,0|1,0,0]=3 2039 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)F 271570a_100016259895_100011218012 [1,1,0,0,0,0|1,0,0]=3 2040 B13R1.4030 CC=Cc1cc(c(c(c1)OC)F)O 271570a_100016259895_200015524394 [1,1,0,0,0,0|1,0,0]=3 2041 B13R1.4030 CC=Cc1cc(c(c(c1)OC)N)C 271570a_100016259895_100000741850 [1,1,0,0,0,0|1,0,0]=3 2042 B13R1.4030 CCSc1cc(c(c(c1)OC)O)O 62a_100000210202_200159242197 [1,1,0,0,0,0|1,0,1]=4 2043 B13R1.4030 COc1cc(cc(c1O)O)SCF 62a_100015361967_200159242197 [1,1,0,0,0,0|2,0,0]=4 2044 B13R1.81 CCC(=O)Cc1cccc(c1)OC 1458a_100000210414_100000211672 [1,1,0,0,0,0|1,0,1]=4 2045 B13R1.81 CCC(=O)Cc1cccc(c1)OC 1458a_100000211281_100000210202 [1,1,0,0,0,0|1,0,1]=4 2046 B13R1.81 CCC(=O)Nc1cccc(c1)OC 11a_100000210024_100000210414 [1,1,0,0,0,0|2,0,0]=4 2047 B13R1.81 CCC(=O)Nc1cccc(c1)OC 1626a_100000210024_100000210414 [1,1,0,0,0,0|2,0,0]=4 2048 B13R1.81 CCC(=O)Nc1cccc(c1)OC 22a_100000210024_100000210414 [1,1,0,0,0,0|2,0,0]=4 2049 B13R1.81 CCC(=O)Nc1cccc(c1)OC 34a_100000158609_200000210301 [1,1,0,0,0,0|2,0,0]=4 2050 B13R1.81 CCC(=O)Nc1cccc(c1)OC 527a_100000210024_100000210414 [1,1,0,0,0,0|2,0,0]=4 2051 B13R1.81 CCC(=O)Nc1cccc(c1)OC 7a_100000158609_200000210301 [1,1,0,0,0,0|2,0,0]=4 2052 B13R1.81 CCC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158609_200025704644 [1,1,0,0,0,0|2,0,0]=4 2053 B13R1.81 CCC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158609_200025704644 [1,1,0,0,0,0|2,0,0]=4 2054 B13R1.81 CCc1cccc(c1)NC(=O)CO 22a_100000211250_100000210174 [1,1,0,0,0,0|2,0,0]=4 2055 B13R1.81 CCc1cccc(c1)NC(=O)CO 527a_100000211250_100000210174 [1,1,0,0,0,0|2,0,0]=4 2056 B13R1.81 COc1cc(ccn1)CC(=O)CO 1458a_100000210174_100103152439 [1,1,0,0,0,0|1,0,1]=4 2057 B13R1.81 COc1cccc(c1)CC(=O)CF 1458a_100000211281_100015361967 [1,1,0,0,0,0|1,0,1]=4 2058 B13R1.81 COc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211672 [1,1,0,0,0,0|0,0,1]=3 2059 B13R1.81 COc1cccc(c1)NC(=O)CCl 34a_100011236192_200000210301 [1,1,0,0,0,0|2,0,0]=4 2060 B13R1.81 COc1cccc(c1)NC(=O)CCl 7a_100011236192_200000210301 [1,1,0,0,0,0|2,0,0]=4 2061 B13R1.81 COc1cccc(c1)NC(=O)CO 22a_100000210024_100000210174 [1,1,0,0,0,0|1,0,0]=3 2062 B13R1.81 COc1cccc(c1)NC(=O)CO 527a_100000210024_100000210174 [1,1,0,0,0,0|1,0,0]=3 2063 B13R1.81 COc1cccc(c1)NC(C)CO 34a_100000210024_100012180447 [1,1,0,0,0,0|1,0,1]=4 2064 B13R1.81 COc1cccc(c1)OC(C)CO 34a_100000211255_100012180447 [1,1,0,0,0,0|1,0,1]=4 2065 B13R1.81 COc1cccc(c1)OC(C)CO 7a_100000211255_100012180447 [1,1,0,0,0,0|1,0,1]=4 2066 B13R1.81 COc1cccc(c1)SC(C)CO 62a_100012180447_100000170001 [1,1,0,0,0,0|1,0,1]=4 2067 B13R1.81 COc1cccc(c1)S[C@H](C)CO 62a_100016084084_100000170001 [1,1,0,0,0,0|1,0,1]=4 2068 B13R1.81 COc1cccc(n1)CC(=O)CO 1458a_100000210174_100000755263 [1,1,0,0,0,0|1,0,1]=4 2069 B13R1.81 COc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000752681 [1,1,0,0,0,0|1,0,1]=4 2070 B13R1.81 CSc1cccc(c1)NC(=O)CO 22a_100000210049_100000210174 [1,1,0,0,0,0|1,1,0]=4 2071 B13R1.81 CSc1cccc(c1)NC(=O)CO 527a_100000210049_100000210174 [1,1,0,0,0,0|1,1,0]=4 2072 B13R1.81 [13CH3]Oc1cccc(c1)NC(=O)CCl 34a_100011236192_200025704644 [1,1,0,0,0,0|2,0,0]=4 2073 B13R1.81 [13CH3]Oc1cccc(c1)NC(=O)CCl 7a_100011236192_200025704644 [1,1,0,0,0,0|2,0,0]=4 2074 B13R1.124 COc1cc(cc(c1)NCCO)Br 34a_100000750983_100000211926 [1,1,0,0,0,0|1,0,1]=4 2075 B13R1.124 COc1cc(cc(c1)NCCO)Br 7a_100000750983_100000211926 [1,1,0,0,0,0|1,0,1]=4 2076 B13R1.124 COc1cc(cc(c1)NCCO)C 2230a_100012001870_100000211926 [1,1,0,0,0,0|1,0,1]=4 2077 B13R1.124 COc1cc(cc(c1)NCCO)C 34a_100012001870_100000211926 [1,1,0,0,0,0|1,0,1]=4 2078 B13R1.124 COc1cc(cc(c1)NCCO)C 7a_100012001870_100000211926 [1,1,0,0,0,0|1,0,1]=4 2079 B13R1.124 COc1cc(cc(c1)NCCO)Cl 2230a_100000051436_100000211926 [1,1,0,0,0,0|1,0,1]=4 2080 B13R1.124 COc1cc(cc(c1)NCCO)Cl 34a_100000051436_100000211926 [1,1,0,0,0,0|1,0,1]=4 2081 B13R1.124 COc1cc(cc(c1)NCCO)Cl 7a_100000051436_100000211926 [1,1,0,0,0,0|1,0,1]=4 2082 B13R1.124 COc1cc(cc(c1)NCCO)F 2230a_100000687699_100000211926 [1,1,0,0,0,0|1,0,1]=4 2083 B13R1.124 COc1cc(cc(c1)NCCO)F 34a_100000687699_100000211926 [1,1,0,0,0,0|1,0,1]=4 2084 B13R1.124 COc1cc(cc(c1)NCCO)F 7a_100000687699_100000211926 [1,1,0,0,0,0|1,0,1]=4 2085 B13R1.124 COc1cc(cc(c1)NCCO)O 34a_200000692186_100000211926 [1,1,0,0,0,0|1,0,1]=4 2086 B13R1.124 COc1cc(cc(c1)OCCO)Br 34a_100010068927_100000211926 [1,1,0,0,0,0|1,0,1]=4 2087 B13R1.124 COc1cc(cc(c1)OCCO)Br 7a_100010068927_100000211926 [1,1,0,0,0,0|1,0,1]=4 2088 B13R1.124 COc1cc(cc(c1)OCCO)C 34a_100011216608_100000211926 [1,1,0,0,0,0|1,0,1]=4 2089 B13R1.124 COc1cc(cc(c1)OCCO)C 7a_100011216608_100000211926 [1,1,0,0,0,0|1,0,1]=4 2090 B13R1.124 COc1cc(cc(c1)OCCO)Cl 34a_100000051430_100000211926 [1,1,0,0,0,0|1,0,1]=4 2091 B13R1.124 COc1cc(cc(c1)OCCO)Cl 7a_100000051430_100000211926 [1,1,0,0,0,0|1,0,1]=4 2092 B13R1.124 COc1cc(cc(c1)OCCO)F 34a_100011369910_100000211926 [1,1,0,0,0,0|1,0,1]=4 2093 B13R1.124 COc1cc(cc(c1)OCCO)F 7a_100011369910_100000211926 [1,1,0,0,0,0|1,0,1]=4 2094 B13R1.124 COc1cc(cc(c1)OCCO)N 34a_200000692186_100000211926 [1,1,0,0,0,0|1,0,1]=4 2095 B13R1.124 COc1cc(cc(c1)OCCO)N 7a_200000692186_100000211926 [1,1,0,0,0,0|1,0,1]=4 2096 B13R1.124 COc1cc(cc(c1)SCCO)Br 62a_100000211926_100010141301 [1,1,0,0,0,0|1,0,1]=4 2097 B13R1.124 COc1cc(cc(c1)SCCO)Br 62a_100010141301_100000211926 [1,1,0,0,0,0|1,0,1]=4 2098 B13R1.124 COc1cc(cc(c1)SCCO)C 62a_100000211926_100010187550 [1,1,0,0,0,0|1,0,1]=4 2099 B13R1.124 COc1cc(cc(c1)SCCO)Cl 62a_100000211926_100010147680 [1,1,0,0,0,0|1,0,1]=4 2100 B13R1.124 COc1cc(cc(c1)SCCO)Cl 62a_100010147680_100000211926 [1,1,0,0,0,0|1,0,1]=4 2101 B13R1.124 COc1cc(cc(c1)SCCO)F 62a_100000211926_100011934182 [1,1,0,0,0,0|1,0,1]=4 2102 B13R1.124 COc1cc(cc(c1)SCCO)F 62a_100011934182_100000211926 [1,1,0,0,0,0|1,0,1]=4 2103 B13R1.124 COc1cc(cc(c1)SCCO)N 62a_100000211926_100000750983 [1,1,0,0,0,0|1,0,1]=4 2104 B13R1.124 COc1cc(cc(c1)SCCO)N 62a_100000750983_100000211926 [1,1,0,0,0,0|1,0,1]=4 2105 B13R1.124 COc1cc(cc(c1)SCCO)O 62a_100000211926_100010068927 [1,1,0,0,0,0|1,0,1]=4 2106 B13R1.460 CCCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210303 [1,1,0,0,0,0|1,0,1]=4 2107 B13R1.460 CCNC(=O)c1cccc(c1)OC 11a_100015525214_100000188888 [1,1,0,0,0,0|2,0,0]=4 2108 B13R1.460 CCNC(=O)c1cccc(c1)OC 240690a_100015525214_100000188888 [1,1,0,0,0,0|2,0,0]=4 2109 B13R1.460 CCNC(=O)c1cccc(c1)OC 527a_100015525214_100000188888 [1,1,0,0,0,0|2,0,0]=4 2110 B13R1.460 CCNC(=O)c1cccc(c1)OC 7a_100000160095_200000210301 [1,1,0,0,0,0|2,0,0]=4 2111 B13R1.460 CCNC(=O)c1cccc(c1)O[13CH3] 7a_100000160095_200025704644 [1,1,0,0,0,0|2,0,0]=4 2112 B13R1.460 CCOC(=O)c1cccc(c1)OC 7a_100000169910_200000210301 [1,1,0,0,0,0|2,0,0]=4 2113 B13R1.460 CCOC(=O)c1cccc(c1)O[13CH3] 7a_100000169910_200025704644 [1,1,0,0,0,0|2,0,0]=4 2114 B13R1.460 CCc1cccc(c1)C(=O)CCO 1458a_100011933908_100000211926 [1,1,0,0,0,0|1,0,1]=4 2115 B13R1.460 COc1cccc(c1)C(=O)CCF 1458a_100000188888_100011217306 [1,1,0,0,0,0|1,0,1]=4 2116 B13R1.460 COc1cccc(c1)C(=O)CCO 1458a_100000188888_100000211926 [1,1,0,0,0,0|0,0,1]=3 2117 B13R1.460 COc1cccc(c1)N(C)CCO 2230a_100000219725_100000211926 [1,1,0,0,0,0|1,0,1]=4 2118 B13R1.460 COc1cccc(c1)N(C)CCO 269982a_100000219725_100000211926 [1,1,0,0,0,0|1,0,1]=4 2119 B13R1.460 COc1cccc(c1)N(C)CCO 34a_100000219725_100000211926 [1,1,0,0,0,0|1,0,1]=4 2120 B13R1.460 COc1cccc(c1)[C@@H](N)CCO 34a_100025705919_200000210301 [1,1,0,0,0,0|0,0,2]=4 2121 B13R1.460 CSc1cccc(c1)C(=O)CCO 1458a_100011217804_100000211926 [1,1,0,0,0,0|0,1,1]=4 2122 B13R1.460 [13CH3]Oc1cccc(c1)[C@@H](N)CCO 34a_100025705919_200025704644 [1,1,0,0,0,0|0,0,2]=4 2123 B13R1.558 COc1ccc(c(c1)NCCO)Br 34a_100000748603_100000211926 [1,1,0,0,0,0|1,0,1]=4 2124 B13R1.558 COc1ccc(c(c1)NCCO)C 2230a_100000760359_100000211926 [1,1,0,0,0,0|1,0,1]=4 2125 B13R1.558 COc1ccc(c(c1)NCCO)C 34a_100000760359_100000211926 [1,1,0,0,0,0|1,0,1]=4 2126 B13R1.558 COc1ccc(c(c1)NCCO)Cl 34a_100000745576_100000211926 [1,1,0,0,0,0|1,0,1]=4 2127 B13R1.558 COc1ccc(c(c1)NCCO)F 34a_100000764331_100000211926 [1,1,0,0,0,0|1,0,1]=4 2128 B13R1.558 COc1ccc(c(c1)NCCO)I 34a_100000748021_100000211926 [1,1,0,0,0,0|1,0,1]=4 2129 B13R1.558 COc1ccc(c(c1)NCCO)O 34a_100000188146_100000211926 [1,1,0,0,0,0|1,0,1]=4 2130 B13R1.558 COc1ccc(c(c1)OCCO)Br 34a_100000719091_100000211926 [1,1,0,0,0,0|1,0,1]=4 2131 B13R1.558 COc1ccc(c(c1)OCCO)Br 7a_100000719091_100000211926 [1,1,0,0,0,0|1,0,1]=4 2132 B13R1.558 COc1ccc(c(c1)OCCO)C 34a_100012179981_100000211926 [1,1,0,0,0,0|1,0,1]=4 2133 B13R1.558 COc1ccc(c(c1)OCCO)C 7a_100012179981_100000211926 [1,1,0,0,0,0|1,0,1]=4 2134 B13R1.558 COc1ccc(c(c1)OCCO)Cl 34a_100011516019_100000211926 [1,1,0,0,0,0|1,0,1]=4 2135 B13R1.558 COc1ccc(c(c1)OCCO)Cl 7a_100011516019_100000211926 [1,1,0,0,0,0|1,0,1]=4 2136 B13R1.558 COc1ccc(c(c1)OCCO)F 34a_100012178750_100000211926 [1,1,0,0,0,0|1,0,1]=4 2137 B13R1.558 COc1ccc(c(c1)OCCO)F 7a_100012178750_100000211926 [1,1,0,0,0,0|1,0,1]=4 2138 B13R1.558 COc1ccc(c(c1)OCCO)I 34a_100010168831_100000211926 [1,1,0,0,0,0|1,0,1]=4 2139 B13R1.558 COc1ccc(c(c1)OCCO)I 7a_100010168831_100000211926 [1,1,0,0,0,0|1,0,1]=4 2140 B13R1.558 COc1ccc(c(c1)OCCO)N 34a_100016989039_100000211926 [1,1,0,0,0,0|1,0,1]=4 2141 B13R1.558 COc1ccc(c(c1)OCCO)N 7a_100016989039_100000211926 [1,1,0,0,0,0|1,0,1]=4 2142 B13R1.558 COc1ccc(c(c1)SCCO)Br 62a_100000211926_100009992028 [1,1,0,0,0,0|1,0,1]=4 2143 B13R1.558 COc1ccc(c(c1)SCCO)Br 62a_100009992028_100000211926 [1,1,0,0,0,0|1,0,1]=4 2144 B13R1.558 COc1ccc(c(c1)SCCO)C 62a_100000211926_100012349166 [1,1,0,0,0,0|1,0,1]=4 2145 B13R1.558 COc1ccc(c(c1)SCCO)C 62a_100012349166_100000211926 [1,1,0,0,0,0|1,0,1]=4 2146 B13R1.558 COc1ccc(c(c1)SCCO)Cl 62a_100000211926_100011356938 [1,1,0,0,0,0|1,0,1]=4 2147 B13R1.558 COc1ccc(c(c1)SCCO)Cl 62a_100011356938_100000211926 [1,1,0,0,0,0|1,0,1]=4 2148 B13R1.558 COc1ccc(c(c1)SCCO)F 62a_100000211926_100000699733 [1,1,0,0,0,0|1,0,1]=4 2149 B13R1.558 COc1ccc(c(c1)SCCO)F 62a_100000699733_100000211926 [1,1,0,0,0,0|1,0,1]=4 2150 B13R1.558 COc1ccc(c(c1)SCCO)N 62a_100000211926_100015195136 [1,1,0,0,0,0|1,0,1]=4 2151 B13R1.558 COc1ccc(c(c1)SCCO)N 62a_100015195136_100000211926 [1,1,0,0,0,0|1,0,1]=4 2152 B13R1.558 COc1ccc(c(c1)SCCO)O 62a_100000211926_100000685887 [1,1,0,0,0,0|1,0,1]=4 2153 B13R1.567 CCOc1cccc(c1)CCCO 34a_200011999501_100000210202 [1,1,0,0,0,0|0,0,2]=4 2154 B13R1.567 CCOc1cccc(c1)CCCO 7a_200011999501_100000210202 [1,1,0,0,0,0|0,0,2]=4 2155 B13R1.567 CCOc1cccc(c1)NCCO 2230a_100000742568_100000211926 [1,1,0,0,0,0|1,0,1]=4 2156 B13R1.567 CCOc1cccc(c1)NCCO 34a_100000742568_100000211926 [1,1,0,0,0,0|1,0,1]=4 2157 B13R1.567 CCOc1cccc(c1)OCCO 34a_100011215941_100000211926 [1,1,0,0,0,0|1,0,1]=4 2158 B13R1.567 CCOc1cccc(c1)OCCO 7a_100011215941_100000211926 [1,1,0,0,0,0|1,0,1]=4 2159 B13R1.567 CCOc1cccc(c1)SCCO 62a_100000211926_100000170002 [1,1,0,0,0,0|1,0,1]=4 2160 B13R1.567 COCc1cccc(c1)NCCO 2230a_100000737370_100000211926 [1,1,0,0,0,0|1,0,1]=4 2161 B13R1.567 COCc1cccc(c1)NCCO 34a_100000737370_100000211926 [1,1,0,0,0,0|1,0,1]=4 2162 B13R1.567 COCc1cccc(c1)SCCO 62a_100000211926_100011493687 [1,1,0,0,0,0|1,0,1]=4 2163 B13R1.567 COCc1cccc(c1)SCCO 62a_100011493687_100000211926 [1,1,0,0,0,0|1,0,1]=4 2164 B13R1.567 OCCCc1cccc(c1)OCF 34a_200011999501_100015361967 [1,1,0,0,0,0|0,0,2]=4 2165 B13R1.567 OCCCc1cccc(c1)OCF 7a_200011999501_100015361967 [1,1,0,0,0,0|0,0,2]=4 2166 B13R1.569 COc1cccc(c1Br)NCCO 34a_100000703447_100000211926 [1,1,0,0,0,0|1,0,1]=4 2167 B13R1.569 COc1cccc(c1Br)OCCO 34a_100010202623_100000211926 [1,1,0,0,0,0|1,0,1]=4 2168 B13R1.569 COc1cccc(c1Br)OCCO 7a_100010202623_100000211926 [1,1,0,0,0,0|1,0,1]=4 2169 B13R1.569 COc1cccc(c1Br)SCCO 62a_100000211926_100010146559 [1,1,0,0,0,0|1,0,1]=4 2170 B13R1.569 COc1cccc(c1Br)SCCO 62a_100010146559_100000211926 [1,1,0,0,0,0|1,0,1]=4 2171 B13R1.569 COc1cccc(c1C)NCCO 34a_100011244893_100000211926 [1,1,0,0,0,0|1,0,1]=4 2172 B13R1.569 COc1cccc(c1C)NCCO 7a_100011244893_100000211926 [1,1,0,0,0,0|1,0,1]=4 2173 B13R1.569 COc1cccc(c1C)SCCO 62a_100000211926_100010002647 [1,1,0,0,0,0|1,0,1]=4 2174 B13R1.569 COc1cccc(c1C)SCCO 62a_100010002647_100000211926 [1,1,0,0,0,0|1,0,1]=4 2175 B13R1.569 COc1cccc(c1Cl)NCCO 34a_100000089720_100000211926 [1,1,0,0,0,0|1,0,1]=4 2176 B13R1.569 COc1cccc(c1Cl)OCCO 34a_100000087810_100000211926 [1,1,0,0,0,0|1,0,1]=4 2177 B13R1.569 COc1cccc(c1Cl)OCCO 7a_100000087810_100000211926 [1,1,0,0,0,0|1,0,1]=4 2178 B13R1.569 COc1cccc(c1Cl)SCCO 62a_100000211926_100010147677 [1,1,0,0,0,0|1,0,1]=4 2179 B13R1.569 COc1cccc(c1Cl)SCCO 62a_100010147677_100000211926 [1,1,0,0,0,0|1,0,1]=4 2180 B13R1.569 COc1cccc(c1F)NCCO 34a_100000100910_100000211926 [1,1,0,0,0,0|1,0,1]=4 2181 B13R1.569 COc1cccc(c1F)OCCO 34a_100000102366_100000211926 [1,1,0,0,0,0|1,0,1]=4 2182 B13R1.569 COc1cccc(c1F)OCCO 7a_100000102366_100000211926 [1,1,0,0,0,0|1,0,1]=4 2183 B13R1.569 COc1cccc(c1F)SCCO 62a_100000211926_100010185846 [1,1,0,0,0,0|1,0,1]=4 2184 B13R1.569 COc1cccc(c1F)SCCO 62a_100010185846_100000211926 [1,1,0,0,0,0|1,0,1]=4 2185 B13R1.569 COc1cccc(c1I)NCCO 34a_100010245509_100000211926 [1,1,0,0,0,0|1,0,1]=4 2186 B13R1.569 COc1cccc(c1I)OCCO 34a_200010201982_100000211926 [1,1,0,0,0,0|1,0,1]=4 2187 B13R1.569 COc1cccc(c1I)OCCO 7a_200010201982_100000211926 [1,1,0,0,0,0|1,0,1]=4 2188 B13R1.569 COc1cccc(c1N)OCCO 34a_100012022766_100000211926 [1,1,0,0,0,0|1,0,1]=4 2189 B13R1.569 COc1cccc(c1N)OCCO 7a_100012022766_100000211926 [1,1,0,0,0,0|1,0,1]=4 2190 B13R1.569 COc1cccc(c1N)SCCO 62a_100000708083_100000211926 [1,1,0,0,0,0|1,0,1]=4 2191 B13R1.569 COc1cccc(c1O)NCCO 34a_100000123586_100000211926 [1,1,0,0,0,0|1,0,1]=4 2192 B13R1.569 COc1cccc(c1O)SCCO 62a_100000211926_100000686866 [1,1,0,0,0,0|1,0,1]=4 2193 B13R1.643 CC(O)C=Cc1cccc(c1)C#N 271570a_200011019289_100000189340 [1,1,0,0,0,0|2,0,0]=4 2194 B13R1.643 CC(O)C=Cc1cccc(c1)C=O 271570a_200011019289_100000014684 [1,1,0,0,0,0|2,0,0]=4 2195 B13R1.643 CC(O)C=Cc1cccc(c1)CF 271570a_200011019289_100010878472 [1,1,0,0,0,0|2,0,0]=4 2196 B13R1.643 CC(O)C=Cc1cccc(c1)CN 271570a_200011019289_100000106179 [1,1,0,0,0,0|2,0,0]=4 2197 B13R1.643 CC(O)C=Cc1cccc(c1)CO 271570a_200011019289_100000687537 [1,1,0,0,0,0|2,0,0]=4 2198 B13R1.643 CC(O)C=Cc1cccc(c1)NN 271570a_200011019289_100000217339 [1,1,0,0,0,0|2,0,0]=4 2199 B13R1.643 CCc1cc(ccn1)C=CC(C)O 271570a_200011019289_100009820011 [1,1,0,0,0,0|2,0,0]=4 2200 B13R1.643 CCc1cccc(c1)C=CC(C)C 271570a_100016257149_100000684523 [1,1,0,0,0,0|2,0,0]=4 2201 B13R1.643 CCc1cccc(c1)C=CC(C)O 271570a_200011019289_100000684523 [1,1,0,0,0,0|1,0,0]=3 2202 B13R1.643 CCc1cccc(n1)C=CC(C)O 271570a_200011019289_100009856026 [1,1,0,0,0,0|2,0,0]=4 2203 B13R1.643 CCc1ccnc(c1)C=CC(C)O 271570a_200011019289_100009817561 [1,1,0,0,0,0|2,0,0]=4 2204 B13R1.643 CCc1cncc(c1)C=CC(C)O 271570a_200011019289_200009819073 [1,1,0,0,0,0|2,0,0]=4 2205 B13R1.643 CNc1cc(ccn1)C=CC(C)O 271570a_200011019289_100009819592 [1,1,0,0,0,0|2,0,0]=4 2206 B13R1.643 CNc1cccc(c1)C=CC(C)C 271570a_100016257149_100000219648 [1,1,0,0,0,0|2,0,0]=4 2207 B13R1.643 CNc1cccc(c1)C=CC(C)O 271570a_200011019289_100000219648 [1,1,0,0,0,0|1,0,0]=3 2208 B13R1.643 CNc1cccc(n1)C=CC(C)O 271570a_200011019289_100000703281 [1,1,0,0,0,0|2,0,0]=4 2209 B13R1.643 CNc1ccnc(c1)C=CC(C)O 271570a_200011019289_100009869472 [1,1,0,0,0,0|2,0,0]=4 2210 B13R1.643 CNc1cncc(c1)C=CC(C)O 271570a_200011019289_100012184536 [1,1,0,0,0,0|2,0,0]=4 2211 B13R1.643 COc1cc(ccn1)C=CC(C)C 271570a_100016257149_100000117307 [1,1,0,0,0,0|2,0,0]=4 2212 B13R1.643 COc1cc(ccn1)C=CC(C)O 271570a_200011019289_100000117307 [1,1,0,0,0,0|1,0,0]=3 2213 B13R1.643 COc1cc(ncn1)C=CC(C)O 271570a_200011019289_100012187182 [1,1,0,0,0,0|2,0,0]=4 2214 B13R1.643 COc1cccc(c1)C=CC(C)C 271570a_100016257149_100000170001 [1,1,0,0,0,0|1,0,0]=3 2215 B13R1.643 COc1cccc(c1)C=CC(C)O 271570a_200011019289_100000170001 [1,1,0,0,0,0|0,0,0]=2 2216 B13R1.643 COc1cccc(c1)NCC(C)O 34a_100000210024_100011218427 [1,1,0,0,0,0|1,0,1]=4 2217 B13R1.643 COc1cccc(c1)NC[C@@H](C)O 34a_100000210024_100009817552 [1,1,0,0,0,0|1,0,1]=4 2218 B13R1.643 COc1cccc(c1)OCC(C)O 34a_100000211255_100011218427 [1,1,0,0,0,0|1,0,1]=4 2219 B13R1.643 COc1cccc(c1)OCC(C)O 7a_100000211255_100011218427 [1,1,0,0,0,0|1,0,1]=4 2220 B13R1.643 COc1cccc(c1)OC[C@@H](C)O 34a_100000211255_100009817552 [1,1,0,0,0,0|1,0,1]=4 2221 B13R1.643 COc1cccc(c1)OC[C@@H](C)O 7a_100000211255_100009817552 [1,1,0,0,0,0|1,0,1]=4 2222 B13R1.643 COc1cccc(c1)SCC(C)O 62a_100011218427_100000170001 [1,1,0,0,0,0|1,0,1]=4 2223 B13R1.643 COc1cccc(c1)SC[C@@H](C)O 62a_100009817552_100000170001 [1,1,0,0,0,0|1,0,1]=4 2224 B13R1.643 COc1cccc(n1)C=CC(C)C 271570a_100016257149_100000760917 [1,1,0,0,0,0|2,0,0]=4 2225 B13R1.643 COc1cccc(n1)C=CC(C)O 271570a_200011019289_100000760917 [1,1,0,0,0,0|1,0,0]=3 2226 B13R1.643 COc1ccnc(c1)C=CC(C)C 271570a_100016257149_100011216251 [1,1,0,0,0,0|2,0,0]=4 2227 B13R1.643 COc1ccnc(c1)C=CC(C)O 271570a_200011019289_100011216251 [1,1,0,0,0,0|1,0,0]=3 2228 B13R1.643 COc1ccnc(n1)C=CC(C)O 271570a_200011019289_100000182009 [1,1,0,0,0,0|2,0,0]=4 2229 B13R1.643 COc1cncc(c1)C=CC(C)C 271570a_100016257149_100000684773 [1,1,0,0,0,0|2,0,0]=4 2230 B13R1.643 COc1cncc(c1)C=CC(C)O 271570a_200011019289_100000684773 [1,1,0,0,0,0|1,0,0]=3 2231 B13R1.643 COc1cncc(n1)C=CC(C)O 271570a_200011019289_100000756030 [1,1,0,0,0,0|2,0,0]=4 2232 B13R1.643 COc1cnnc(c1)C=CC(C)O 271570a_200011019289_100000087634 [1,1,0,0,0,0|2,0,0]=4 2233 B13R1.643 COc1nccc(n1)C=CC(C)O 271570a_200011019289_100000069072 [1,1,0,0,0,0|2,0,0]=4 2234 B13R1.643 CSc1cccc(c1)C=CC(C)C 271570a_100016257149_100011215954 [1,1,0,0,0,0|1,1,0]=4 2235 B13R1.643 CSc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215954 [1,1,0,0,0,0|0,1,0]=3 2236 B13R1.643 CSc1cccc(n1)C=CC(C)O 271570a_200011019289_100011960944 [1,1,0,0,0,0|1,1,0]=4 2237 B13R1.643 CSc1ccnc(c1)C=CC(C)O 271570a_200011019289_100010883326 [1,1,0,0,0,0|1,1,0]=4 2238 B13R1.643 CSc1cncc(c1)C=CC(C)O 271570a_200011019289_100009816972 [1,1,0,0,0,0|1,1,0]=4 2239 B13R1.666 CCC=NNc1cccc(c1)OC 4a_100000722927_100000210100 [1,1,0,0,0,0|2,0,0]=4 2240 B13R1.666 CCCC=Cc1cc(ccn1)OC 271570a_100016258520_100011216251 [1,1,0,0,0,0|2,0,0]=4 2241 B13R1.666 CCCC=Cc1cccc(c1)CC 271570a_100016258520_100000684523 [1,1,0,0,0,0|2,0,0]=4 2242 B13R1.666 CCCC=Cc1cccc(c1)NC 271570a_100016258520_100000219648 [1,1,0,0,0,0|2,0,0]=4 2243 B13R1.666 CCCC=Cc1cccc(c1)OC 271570a_100016258520_100000170001 [1,1,0,0,0,0|1,0,0]=3 2244 B13R1.666 CCCC=Cc1cccc(c1)SC 271570a_100016258520_100011215954 [1,1,0,0,0,0|1,1,0]=4 2245 B13R1.666 CCCC=Cc1cccc(n1)OC 271570a_100016258520_100000760917 [1,1,0,0,0,0|2,0,0]=4 2246 B13R1.666 CCCC=Cc1ccnc(c1)OC 271570a_100016258520_100000117307 [1,1,0,0,0,0|2,0,0]=4 2247 B13R1.666 CCCC=Cc1cncc(c1)OC 271570a_100016258520_100000684773 [1,1,0,0,0,0|2,0,0]=4 2248 B13R1.666 CCNN=Cc1cccc(c1)OC 4a_100000756455_100000170238 [1,1,0,0,0,0|2,0,0]=4 2249 B13R1.666 CCOC=Cc1cc(ccn1)OC 271570a_100016256518_100011216251 [1,1,0,0,0,0|2,0,0]=4 2250 B13R1.666 CCOC=Cc1cccc(c1)CC 271570a_100016256518_100000684523 [1,1,0,0,0,0|2,0,0]=4 2251 B13R1.666 CCOC=Cc1cccc(c1)NC 271570a_100016256518_100000219648 [1,1,0,0,0,0|2,0,0]=4 2252 B13R1.666 CCOC=Cc1cccc(c1)OC 271570a_100016256518_100000170001 [1,1,0,0,0,0|1,0,0]=3 2253 B13R1.666 CCOC=Cc1cccc(c1)SC 271570a_100016256518_100011215954 [1,1,0,0,0,0|1,1,0]=4 2254 B13R1.666 CCOC=Cc1cccc(n1)OC 271570a_100016256518_100000760917 [1,1,0,0,0,0|2,0,0]=4 2255 B13R1.666 CCOC=Cc1ccnc(c1)OC 271570a_100016256518_100000117307 [1,1,0,0,0,0|2,0,0]=4 2256 B13R1.666 CCOC=Cc1cncc(c1)OC 271570a_100016256518_100000684773 [1,1,0,0,0,0|2,0,0]=4 2257 B13R1.666 CCc1cc(ccn1)C=CCOC 271570a_100016286323_100009820011 [1,1,0,0,0,0|2,0,0]=4 2258 B13R1.666 CCc1cccc(c1)C=CCOC 271570a_100016286323_100000684523 [1,1,0,0,0,0|1,0,0]=3 2259 B13R1.666 CCc1cccc(n1)C=CCOC 271570a_100016286323_100009856026 [1,1,0,0,0,0|2,0,0]=4 2260 B13R1.666 CCc1ccnc(c1)C=CCOC 271570a_100016286323_100009817561 [1,1,0,0,0,0|2,0,0]=4 2261 B13R1.666 CCc1cncc(c1)C=CCOC 271570a_100016286323_200009819073 [1,1,0,0,0,0|2,0,0]=4 2262 B13R1.666 CNCC=Cc1cccc(c1)OC 270004a_106832991635_100102525843 [1,1,0,0,0,0|1,0,0]=3 2263 B13R1.666 CNc1cc(ccn1)C=CCOC 271570a_100016286323_100009819592 [1,1,0,0,0,0|2,0,0]=4 2264 B13R1.666 CNc1cccc(c1)C=CCOC 271570a_100016286323_100000219648 [1,1,0,0,0,0|1,0,0]=3 2265 B13R1.666 CNc1cccc(n1)C=CCOC 271570a_100016286323_100000703281 [1,1,0,0,0,0|2,0,0]=4 2266 B13R1.666 CNc1ccnc(c1)C=CCOC 271570a_100016286323_100009869472 [1,1,0,0,0,0|2,0,0]=4 2267 B13R1.666 CNc1cncc(c1)C=CCOC 271570a_100016286323_100012184536 [1,1,0,0,0,0|2,0,0]=4 2268 B13R1.666 COCC=Cc1cc(ccn1)OC 271570a_100016286323_100011216251 [1,1,0,0,0,0|1,0,0]=3 2269 B13R1.666 COCC=Cc1cc(ccn1)SC 271570a_100016286323_100010883326 [1,1,0,0,0,0|1,1,0]=4 2270 B13R1.666 COCC=Cc1cc(cnn1)OC 271570a_100016286323_100000087634 [1,1,0,0,0,0|2,0,0]=4 2271 B13R1.666 COCC=Cc1cc(ncn1)OC 271570a_100016286323_100012187182 [1,1,0,0,0,0|2,0,0]=4 2272 B13R1.666 COCC=Cc1cccc(c1)C#N 271570a_100016286323_100000189340 [1,1,0,0,0,0|2,0,0]=4 2273 B13R1.666 COCC=Cc1cccc(c1)C=O 271570a_100016286323_100000014684 [1,1,0,0,0,0|2,0,0]=4 2274 B13R1.666 COCC=Cc1cccc(c1)CF 271570a_100016286323_100010878472 [1,1,0,0,0,0|2,0,0]=4 2275 B13R1.666 COCC=Cc1cccc(c1)CN 271570a_100016286323_100000106179 [1,1,0,0,0,0|2,0,0]=4 2276 B13R1.666 COCC=Cc1cccc(c1)CO 271570a_100016286323_100000687537 [1,1,0,0,0,0|2,0,0]=4 2277 B13R1.666 COCC=Cc1cccc(c1)NN 271570a_100016286323_100000217339 [1,1,0,0,0,0|2,0,0]=4 2278 B13R1.666 COCC=Cc1cccc(c1)OC 271570a_100016286323_100000170001 [1,1,0,0,0,0|0,0,0]=2 2279 B13R1.666 COCC=Cc1cccc(c1)SC 271570a_100016286323_100011215954 [1,1,0,0,0,0|0,1,0]=3 2280 B13R1.666 COCC=Cc1cccc(n1)OC 271570a_100016286323_100000760917 [1,1,0,0,0,0|1,0,0]=3 2281 B13R1.666 COCC=Cc1cccc(n1)SC 271570a_100016286323_100011960944 [1,1,0,0,0,0|1,1,0]=4 2282 B13R1.666 COCC=Cc1ccnc(c1)OC 271570a_100016286323_100000117307 [1,1,0,0,0,0|1,0,0]=3 2283 B13R1.666 COCC=Cc1ccnc(n1)OC 271570a_100016286323_100000069072 [1,1,0,0,0,0|2,0,0]=4 2284 B13R1.666 COCC=Cc1cncc(c1)OC 271570a_100016286323_100000684773 [1,1,0,0,0,0|1,0,0]=3 2285 B13R1.666 COCC=Cc1cncc(c1)SC 271570a_100016286323_100009816972 [1,1,0,0,0,0|1,1,0]=4 2286 B13R1.666 COCC=Cc1cncc(n1)OC 271570a_100016286323_100000756030 [1,1,0,0,0,0|2,0,0]=4 2287 B13R1.666 COCC=Cc1nccc(n1)OC 271570a_100016286323_100000182009 [1,1,0,0,0,0|2,0,0]=4 2288 B13R1.666 COCCCc1cccc(c1)OC 34a_100000760512_200000210301 [1,1,0,0,0,0|0,0,2]=4 2289 B13R1.666 COCCCc1cccc(c1)OC 7a_100000760512_200000210301 [1,1,0,0,0,0|0,0,2]=4 2290 B13R1.666 COCCNc1cccc(c1)OC 34a_100000210024_100011201679 [1,1,0,0,0,0|1,0,1]=4 2291 B13R1.666 COCCOc1cccc(c1)OC 34a_100000211255_100011201679 [1,1,0,0,0,0|1,0,1]=4 2292 B13R1.666 COCCOc1cccc(c1)OC 34a_100138415774_100000691273 [1,1,0,0,0,0|1,0,1]=4 2293 B13R1.666 COCCOc1cccc(c1)OC 7a_100000211255_100000233755 [1,1,0,0,0,0|1,0,1]=4 2294 B13R1.666 COCCSc1cccc(c1)OC 62a_100000233755_100000170001 [1,1,0,0,0,0|1,0,1]=4 2295 B13R1.666 COCCSc1cccc(c1)OC 7a_200011235993_200000210301 [1,1,0,0,0,0|1,0,1]=4 2296 B13R1.666 COCNCc1cccc(c1)OC 2230a_100000174954_100000766300 [1,1,0,0,0,0|1,0,1]=4 2297 B13R1.666 COCSCc1cccc(c1)OC 62a_100000688526_100000766300 [1,1,0,0,0,0|1,0,1]=4 2298 B13R1.666 COCSCc1cccc(c1)OC 62a_100000766300_100000211672 [1,1,0,0,0,0|1,0,1]=4 2299 B13R1.666 COc1cccc(c1)CCCO[13CH3] 34a_100000760512_200025704644 [1,1,0,0,0,0|0,0,2]=4 2300 B13R1.666 COc1cccc(c1)CCCO[13CH3] 7a_100000760512_200025704644 [1,1,0,0,0,0|0,0,2]=4 2301 B13R1.666 COc1cccc(c1)CNCCO 207a_100000210304_100000170238 [1,1,0,0,0,0|0,0,2]=4 2302 B13R1.666 COc1cccc(c1)CNCCO 2230a_100000174954_100000211926 [1,1,0,0,0,0|0,0,2]=4 2303 B13R1.666 COc1cccc(c1)CNCCO 2230a_100016997473_100000211672 [1,1,0,0,0,0|0,0,2]=4 2304 B13R1.666 COc1cccc(c1)CNCCO 270004a_100000210304_100000170238 [1,1,0,0,0,0|0,0,2]=4 2305 B13R1.666 COc1cccc(c1)CNCCO 34a_100000174954_100000211926 [1,1,0,0,0,0|0,0,2]=4 2306 B13R1.666 COc1cccc(c1)CNCCO 34a_100016990907_100000688526 [1,1,0,0,0,0|0,0,2]=4 2307 B13R1.666 COc1cccc(c1)COCCO 34a_100000198976_100000211926 [1,1,0,0,0,0|0,0,2]=4 2308 B13R1.666 COc1cccc(c1)CSCCO 62a_100000211926_100000211672 [1,1,0,0,0,0|0,0,2]=4 2309 B13R1.666 COc1cccc(c1)CSCCO 62a_100000688526_100000211926 [1,1,0,0,0,0|0,0,2]=4 2310 B13R1.666 COc1cccc(c1)NCCCO 34a_100000210024_100000230001 [1,1,0,0,0,0|0,0,2]=4 2311 B13R1.666 COc1cccc(c1)OCCCO 34a_100000211255_100000230001 [1,1,0,0,0,0|0,0,2]=4 2312 B13R1.666 COc1cccc(c1)OCCCO 7a_100000211255_100011215043 [1,1,0,0,0,0|0,0,2]=4 2313 B13R1.666 COc1cccc(c1)SCCCO 62a_100011215043_100000170001 [1,1,0,0,0,0|0,0,2]=4 2314 B13R1.666 COc1cccc(c1)SCCO[13CH3] 7a_200011235993_200025704644 [1,1,0,0,0,0|1,0,1]=4 2315 B13R1.136 Cc1cc(cc(c1O)Br)NCCO 34a_100010064301_100000211926 [1,1,0,0,0,0|1,0,1]=4 2316 B13R1.136 Cc1cc(cc(c1O)Br)NCCO 7a_100010064301_100000211926 [1,1,0,0,0,0|1,0,1]=4 2317 B13R1.136 Cc1cc(cc(c1O)Br)SCCO 62a_100000211926_100010982682 [1,1,0,0,0,0|1,0,1]=4 2318 B13R1.136 Cc1cc(cc(c1O)Br)SCCO 62a_100010982682_100000211926 [1,1,0,0,0,0|1,0,1]=4 2319 B13R1.136 Cc1cc(cc(c1O)C)NCCO 34a_100000703291_100000211926 [1,1,0,0,0,0|1,0,1]=4 2320 B13R1.136 Cc1cc(cc(c1O)C)NCCO 7a_100000703291_100000211926 [1,1,0,0,0,0|1,0,1]=4 2321 B13R1.136 Cc1cc(cc(c1O)C)SCCO 62a_100000211926_100011216129 [1,1,0,0,0,0|1,0,1]=4 2322 B13R1.136 Cc1cc(cc(c1O)C)SCCO 62a_100011216129_100000211926 [1,1,0,0,0,0|1,0,1]=4 2323 B13R1.136 Cc1cc(cc(c1O)Cl)SCCO 62a_100000211926_200015900153 [1,1,0,0,0,0|1,0,1]=4 2324 B13R1.136 Cc1cc(cc(c1O)Cl)SCCO 62a_200015900153_100000211926 [1,1,0,0,0,0|1,0,1]=4 2325 B13R1.136 Cc1cc(cc(c1O)N)SCCO 62a_100000211926_100011825904 [1,1,0,0,0,0|1,0,1]=4 2326 B13R1.136 Cc1cc(cc(c1O)N)SCCO 62a_100011825904_100000211926 [1,1,0,0,0,0|1,0,1]=4 2327 B13R1.136 OCCSc1cc(c(c(c1)F)O)O 62a_100000211926_100010114375 [1,1,0,0,0,0|1,0,1]=4 2328 B13R1.136 OCCSc1cc(c(c(c1)O)O)O 62a_100000211926_100010658518 [1,1,0,0,0,0|1,0,1]=4 2329 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210303 [1,1,0,0,0,0|1,0,1]=4 2330 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012345043 [1,1,0,0,0,0|1,0,1]=4 2331 B13R1.466 CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210303 [1,1,0,0,0,0|1,0,1]=4 2332 B13R1.466 CCNC(=O)c1ccc(c(c1)C)O 240690a_100015525214_100000685612 [1,1,0,0,0,0|2,0,0]=4 2333 B13R1.466 CCNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012357431 [1,1,0,0,0,0|2,0,0]=4 2334 B13R1.466 CCOC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100012229600 [1,1,0,0,0,0|2,0,0]=4 2335 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100009812659 [1,1,0,0,0,0|2,0,0]=4 2336 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012355281 [1,1,0,0,0,0|2,0,0]=4 2337 B13R1.466 Cc1cc(ccc1Br)C(=O)CCO 1458a_100000692631_100000211926 [1,1,0,0,0,0|1,0,1]=4 2338 B13R1.466 Cc1cc(ccc1Cl)C(=O)CCO 1458a_100000686306_100000211926 [1,1,0,0,0,0|1,0,1]=4 2339 B13R1.466 Cc1cc(ccc1F)C(=O)CCO 1458a_100000751819_100000211926 [1,1,0,0,0,0|1,0,1]=4 2340 B13R1.466 Cc1cc(ccc1I)C(=O)CCO 1458a_100000751300_100000211926 [1,1,0,0,0,0|1,0,1]=4 2341 B13R1.466 Cc1cc(ccc1O)C(=O)CCF 1458a_100000685612_100011217306 [1,1,0,0,0,0|1,0,1]=4 2342 B13R1.466 Cc1cc(ccc1O)C(=O)CCO 1458a_100000685612_100000211926 [1,1,0,0,0,0|0,0,1]=3 2343 B13R1.466 Cc1ccc(cc1C)C(=O)CCO 1458a_100000210898_100000211926 [1,1,0,0,0,0|1,0,1]=4 2344 B13R1.466 Cc1ccc(cc1O)C(=O)CCO 1458a_100000233767_100000211926 [1,1,0,0,0,0|1,0,1]=4 2345 B13R1.466 O=C(CCF)c1ccc(c(c1)O)O 1458a_100000212155_100011217306 [1,1,0,0,0,0|1,0,1]=4 2346 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)O 1458a_100000189672_100000211926 [1,1,0,0,0,0|1,0,1]=4 2347 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)O 1458a_100000212196_100000211926 [1,1,0,0,0,0|1,0,1]=4 2348 B13R1.466 O=C(CCO)c1ccc(c(c1)F)O 1458a_100000185466_100000211926 [1,1,0,0,0,0|1,0,1]=4 2349 B13R1.466 O=C(CCO)c1ccc(c(c1)I)O 1458a_100000037485_100000211926 [1,1,0,0,0,0|1,0,1]=4 2350 B13R1.466 O=C(CCO)c1ccc(c(c1)O)Br 1458a_100000689001_100000211926 [1,1,0,0,0,0|1,0,1]=4 2351 B13R1.466 O=C(CCO)c1ccc(c(c1)O)Cl 1458a_100011933997_100000211926 [1,1,0,0,0,0|1,0,1]=4 2352 B13R1.466 O=C(CCO)c1ccc(c(c1)O)F 1458a_100000035894_100000211926 [1,1,0,0,0,0|1,0,1]=4 2353 B13R1.466 O=C(CCO)c1ccc(c(c1)O)I 1458a_100000239334_100000211926 [1,1,0,0,0,0|1,0,1]=4 2354 B13R1.466 O=C(CCO)c1ccc(c(c1)O)O 1458a_100000212155_100000211926 [1,1,0,0,0,0|0,0,1]=3 2355 B13R1.511 CC(C)C=Cc1ccc(c(c1)Br)O 271570a_100016257149_100012361655 [1,1,0,0,0,0|2,0,0]=4 2356 B13R1.511 CC(C)C=Cc1ccc(c(c1)Cl)O 271570a_100016257149_100012360047 [1,1,0,0,0,0|2,0,0]=4 2357 B13R1.511 CC(C)C=Cc1ccc(c(c1)F)O 271570a_100016257149_100000185481 [1,1,0,0,0,0|2,0,0]=4 2358 B13R1.511 CC(C)C=Cc1ccc(c(c1)N)O 271570a_100016257149_100000752626 [1,1,0,0,0,0|2,0,0]=4 2359 B13R1.511 CC(C)C=Cc1ccc(c(c1)O)Br 271570a_100016257149_100012356990 [1,1,0,0,0,0|2,0,0]=4 2360 B13R1.511 CC(C)C=Cc1ccc(c(c1)O)Cl 271570a_100016257149_100011356854 [1,1,0,0,0,0|2,0,0]=4 2361 B13R1.511 CC(C)C=Cc1ccc(c(c1)O)F 271570a_100016257149_100000686035 [1,1,0,0,0,0|2,0,0]=4 2362 B13R1.511 CC(C)C=Cc1ccc(c(c1)O)N 271570a_100016257149_100000739049 [1,1,0,0,0,0|2,0,0]=4 2363 B13R1.511 CC(C)C=Cc1ccc(c(c1)O)O 271570a_100016257149_100009813601 [1,1,0,0,0,0|1,0,0]=3 2364 B13R1.511 CC(O)C=Cc1c[nH]c(=O)c(c1)O 271570a_200011019289_100009814561 [1,1,0,0,0,0|1,0,1]=4 2365 B13R1.511 CC(O)C=Cc1cc(c(cn1)F)O 271570a_200011019289_100009854642 [1,1,0,0,0,0|2,0,0]=4 2366 B13R1.511 CC(O)C=Cc1cc(c(cn1)O)N 271570a_200011019289_100009819941 [1,1,0,0,0,0|2,0,0]=4 2367 B13R1.511 CC(O)C=Cc1ccc(=O)n(c1)C 271570a_200011019289_100011245003 [1,1,0,0,0,0|1,0,1]=4 2368 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)Br 271570a_200011019289_100012356285 [1,1,0,0,0,0|2,0,0]=4 2369 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)Cl 271570a_200011019289_100012353702 [1,1,0,0,0,0|2,0,0]=4 2370 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)F 271570a_200011019289_100012047266 [1,1,0,0,0,0|2,0,0]=4 2371 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)N 271570a_200011019289_100000750455 [1,1,0,0,0,0|2,0,0]=4 2372 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)O 271570a_200011019289_100012361655 [1,1,0,0,0,0|1,0,0]=3 2373 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)Br 271570a_200011019289_100012047281 [1,1,0,0,0,0|2,0,0]=4 2374 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)Cl 271570a_200011019289_100011214914 [1,1,0,0,0,0|2,0,0]=4 2375 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)F 271570a_200011019289_100011215976 [1,1,0,0,0,0|2,0,0]=4 2376 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)N 271570a_200011019289_100011218065 [1,1,0,0,0,0|2,0,0]=4 2377 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)O 271570a_200011019289_100012360047 [1,1,0,0,0,0|1,0,0]=3 2378 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)Br 271570a_200011019289_100000685389 [1,1,0,0,0,0|2,0,0]=4 2379 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)Cl 271570a_200011019289_100011216805 [1,1,0,0,0,0|2,0,0]=4 2380 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)F 271570a_200011019289_100000750028 [1,1,0,0,0,0|2,0,0]=4 2381 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)N 271570a_200011019289_100011215594 [1,1,0,0,0,0|2,0,0]=4 2382 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)O 271570a_200011019289_100000185481 [1,1,0,0,0,0|1,0,0]=3 2383 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)Br 271570a_200011019289_100000750456 [1,1,0,0,0,0|2,0,0]=4 2384 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)Cl 271570a_200011019289_200000761891 [1,1,0,0,0,0|2,0,0]=4 2385 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)F 271570a_200011019289_100000740924 [1,1,0,0,0,0|2,0,0]=4 2386 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)N 271570a_200011019289_100000741789 [1,1,0,0,0,0|2,0,0]=4 2387 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)O 271570a_200011019289_100000752626 [1,1,0,0,0,0|1,0,0]=3 2388 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)Br 271570a_200011019289_100012356990 [1,1,0,0,0,0|1,0,0]=3 2389 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)Cl 271570a_200011019289_100011356854 [1,1,0,0,0,0|1,0,0]=3 2390 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)F 271570a_200011019289_100000686035 [1,1,0,0,0,0|1,0,0]=3 2391 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)N 271570a_200011019289_100000739049 [1,1,0,0,0,0|1,0,0]=3 2392 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)O 271570a_200011019289_100009813601 [1,1,0,0,0,0|0,0,0]=2 2393 B13R1.511 CC(O)C=Cc1ccc(c(n1)Br)O 271570a_200011019289_100000725334 [1,1,0,0,0,0|2,0,0]=4 2394 B13R1.511 CC(O)C=Cc1ccc(c(n1)Cl)O 271570a_200011019289_100000721234 [1,1,0,0,0,0|2,0,0]=4 2395 B13R1.511 CC(O)C=Cc1ccc(c(n1)F)O 271570a_200011019289_100009819667 [1,1,0,0,0,0|2,0,0]=4 2396 B13R1.511 CC(O)C=Cc1ccc(c(n1)N)O 271570a_200011019289_100000685527 [1,1,0,0,0,0|2,0,0]=4 2397 B13R1.511 CC(O)C=Cc1ccc(c(n1)O)F 271570a_200011019289_100010729010 [1,1,0,0,0,0|2,0,0]=4 2398 B13R1.511 CC(O)C=Cc1ccc(c(n1)O)N 271570a_200011019289_100000718904 [1,1,0,0,0,0|2,0,0]=4 2399 B13R1.511 CC(O)C=Cc1cnc(c(c1)Cl)O 271570a_200011019289_100010238531 [1,1,0,0,0,0|2,0,0]=4 2400 B13R1.511 CC(O)C=Cc1cnc(c(c1)N)O 271570a_200011019289_100000743729 [1,1,0,0,0,0|2,0,0]=4 2401 B13R1.511 CC(O)C=Cc1cnc(c(c1)O)F 271570a_200011019289_100009819871 [1,1,0,0,0,0|2,0,0]=4 2402 B13R1.511 CC(O)C=Cc1cnc(c(c1)O)N 271570a_200011019289_100009819042 [1,1,0,0,0,0|2,0,0]=4 2403 B13R1.511 CC(O)CNc1ccc(c(c1)O)O 34a_100102946323_100011218427 [1,1,0,0,0,0|1,0,1]=4 2404 B13R1.511 CC(O)CSc1ccc(c(c1)O)O 62a_100011218427_100009813601 [1,1,0,0,0,0|1,0,1]=4 2405 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)O 34a_100102946323_100009817552 [1,1,0,0,0,0|1,0,1]=4 2406 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)O 62a_100009817552_100009813601 [1,1,0,0,0,0|1,0,1]=4 2407 B13R1.511 Cc1cc(ccc1Br)C=CC(C)C 271570a_100016257149_100009813585 [1,1,0,0,0,0|2,0,0]=4 2408 B13R1.511 Cc1cc(ccc1Br)C=CC(C)O 271570a_200011019289_100009813585 [1,1,0,0,0,0|1,0,0]=3 2409 B13R1.511 Cc1cc(ccc1Cl)C=CC(C)C 271570a_100016257149_100000049509 [1,1,0,0,0,0|2,0,0]=4 2410 B13R1.511 Cc1cc(ccc1Cl)C=CC(C)O 271570a_200011019289_100000049509 [1,1,0,0,0,0|1,0,0]=3 2411 B13R1.511 Cc1cc(ccc1F)C=CC(C)C 271570a_100016257149_100011218330 [1,1,0,0,0,0|2,0,0]=4 2412 B13R1.511 Cc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100011218330 [1,1,0,0,0,0|1,0,0]=3 2413 B13R1.511 Cc1cc(ccc1N)C=CC(C)C 271570a_100016257149_100000211769 [1,1,0,0,0,0|2,0,0]=4 2414 B13R1.511 Cc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000211769 [1,1,0,0,0,0|1,0,0]=3 2415 B13R1.511 Cc1cc(ccc1O)C=CC(C)C 271570a_100016257149_100000186361 [1,1,0,0,0,0|1,0,0]=3 2416 B13R1.511 Cc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000186361 [1,1,0,0,0,0|0,0,0]=2 2417 B13R1.511 Cc1cc(ccc1O)NCC(C)O 34a_100011218179_100011218427 [1,1,0,0,0,0|1,0,1]=4 2418 B13R1.511 Cc1cc(ccc1O)NCC(C)O 7a_100011218179_100011218427 [1,1,0,0,0,0|1,0,1]=4 2419 B13R1.511 Cc1cc(ccc1O)NC[C@@H](C)O 34a_100011218179_100009817552 [1,1,0,0,0,0|1,0,1]=4 2420 B13R1.511 Cc1cc(ccc1O)NC[C@@H](C)O 7a_100011218179_100009817552 [1,1,0,0,0,0|1,0,1]=4 2421 B13R1.511 Cc1cc(ccc1O)SCC(C)O 62a_100011218427_100000186361 [1,1,0,0,0,0|1,0,1]=4 2422 B13R1.511 Cc1cc(ccc1O)SC[C@@H](C)O 62a_100009817552_100000186361 [1,1,0,0,0,0|1,0,1]=4 2423 B13R1.511 Cc1cc(cnc1Br)C=CC(C)O 271570a_200011019289_100009816107 [1,1,0,0,0,0|2,0,0]=4 2424 B13R1.511 Cc1cc(cnc1C)C=CC(C)O 271570a_200011019289_100000697892 [1,1,0,0,0,0|2,0,0]=4 2425 B13R1.511 Cc1cc(cnc1Cl)C=CC(C)O 271570a_200011019289_100009922867 [1,1,0,0,0,0|2,0,0]=4 2426 B13R1.511 Cc1cc(cnc1F)C=CC(C)O 271570a_200011019289_100000709442 [1,1,0,0,0,0|2,0,0]=4 2427 B13R1.511 Cc1cc(cnc1N)C=CC(C)O 271570a_200011019289_100000186686 [1,1,0,0,0,0|2,0,0]=4 2428 B13R1.511 Cc1cc(cnc1O)C=CC(C)C 271570a_100016257149_100000685391 [1,1,0,0,0,0|2,0,0]=4 2429 B13R1.511 Cc1cc(cnc1O)C=CC(C)O 271570a_200011019289_100000685391 [1,1,0,0,0,0|1,0,0]=3 2430 B13R1.511 Cc1cc(ncc1Br)C=CC(C)O 271570a_200011019289_100012356354 [1,1,0,0,0,0|2,0,0]=4 2431 B13R1.511 Cc1cc(ncc1F)C=CC(C)O 271570a_200011019289_100009818257 [1,1,0,0,0,0|2,0,0]=4 2432 B13R1.511 Cc1cc(ncc1N)C=CC(C)O 271570a_200011019289_100000765520 [1,1,0,0,0,0|2,0,0]=4 2433 B13R1.511 Cc1cc(ncc1O)C=CC(C)C 271570a_100016257149_100000692680 [1,1,0,0,0,0|2,0,0]=4 2434 B13R1.511 Cc1cc(ncc1O)C=CC(C)O 271570a_200011019289_100000692680 [1,1,0,0,0,0|1,0,0]=3 2435 B13R1.511 Cc1ccc(cc1Br)C=CC(C)O 271570a_200011019289_100011847877 [1,1,0,0,0,0|2,0,0]=4 2436 B13R1.511 Cc1ccc(cc1C)C=CC(C)C 271570a_100016257149_100011215607 [1,1,0,0,0,0|2,0,0]=4 2437 B13R1.511 Cc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100011215607 [1,1,0,0,0,0|1,0,0]=3 2438 B13R1.511 Cc1ccc(cc1Cl)C=CC(C)O 271570a_200011019289_100011216363 [1,1,0,0,0,0|2,0,0]=4 2439 B13R1.511 Cc1ccc(cc1F)C=CC(C)O 271570a_200011019289_100000720648 [1,1,0,0,0,0|2,0,0]=4 2440 B13R1.511 Cc1ccc(cc1N)C=CC(C)O 271570a_200011019289_100000761890 [1,1,0,0,0,0|2,0,0]=4 2441 B13R1.511 Cc1ccc(cc1O)C=CC(C)C 271570a_100016257149_100000766334 [1,1,0,0,0,0|2,0,0]=4 2442 B13R1.511 Cc1ccc(cc1O)C=CC(C)O 271570a_200011019289_100000766334 [1,1,0,0,0,0|1,0,0]=3 2443 B13R1.511 Cc1ccc(nc1C)C=CC(C)O 271570a_200011019289_100000103781 [1,1,0,0,0,0|2,0,0]=4 2444 B13R1.511 Cc1cnc(cc1C)C=CC(C)O 271570a_200011019289_100009850809 [1,1,0,0,0,0|2,0,0]=4 2445 B13R1.511 Cc1cnc(cc1O)C=CC(C)O 271570a_200011019289_100000704368 [1,1,0,0,0,0|2,0,0]=4 2446 B13R1.511 Cc1nc(ccc1Br)C=CC(C)O 271570a_200011019289_100012360386 [1,1,0,0,0,0|2,0,0]=4 2447 B13R1.511 Cc1nc(ccc1F)C=CC(C)O 271570a_200011019289_100009814307 [1,1,0,0,0,0|2,0,0]=4 2448 B13R1.511 Cc1nc(ccc1N)C=CC(C)O 271570a_200011019289_100000760127 [1,1,0,0,0,0|2,0,0]=4 2449 B13R1.511 Cc1nc(ccc1O)C=CC(C)C 271570a_100016257149_100010233687 [1,1,0,0,0,0|2,0,0]=4 2450 B13R1.511 Cc1nc(ccc1O)C=CC(C)O 271570a_200011019289_100010233687 [1,1,0,0,0,0|1,0,0]=3 2451 B13R1.511 Cc1ncc(cc1O)C=CC(C)O 271570a_200011019289_100009864810 [1,1,0,0,0,0|2,0,0]=4 2452 B13R1.577 COc1ccc(cc1C)NCCO 2230a_100000743268_100000211926 [1,1,0,0,0,0|1,0,1]=4 2453 B13R1.577 COc1ccc(cc1C)NCCO 34a_100000743268_100000211926 [1,1,0,0,0,0|1,0,1]=4 2454 B13R1.577 COc1ccc(cc1C)NCCO 7a_100000743268_100000211926 [1,1,0,0,0,0|1,0,1]=4 2455 B13R1.577 COc1ccc(cc1C)OCCO 34a_100000759738_100000211926 [1,1,0,0,0,0|1,0,1]=4 2456 B13R1.577 COc1ccc(cc1C)OCCO 7a_100000759738_100000211926 [1,1,0,0,0,0|1,0,1]=4 2457 B13R1.577 COc1ccc(cc1C)SCCO 62a_100000211926_100011219705 [1,1,0,0,0,0|1,0,1]=4 2458 B13R1.577 COc1ccc(cc1C)SCCO 62a_100011219705_100000211926 [1,1,0,0,0,0|1,0,1]=4 2459 B13R1.577 COc1ccc(cc1O)NCCO 34a_100000211920_100000211926 [1,1,0,0,0,0|1,0,1]=4 2460 B13R1.577 COc1ccc(cc1O)SCCO 62a_100000211926_100009816560 [1,1,0,0,0,0|1,0,1]=4 2461 B13R1.577 Cc1cc(ccc1CO)NCCO 34a_100000102464_100000211926 [1,1,0,0,0,0|1,0,1]=4 2462 B13R1.577 Cc1cc(ccc1CO)SCCO 62a_100000211926_100000748258 [1,1,0,0,0,0|1,0,1]=4 2463 B13R1.577 Cc1cc(ccc1CO)SCCO 62a_100000748258_100000211926 [1,1,0,0,0,0|1,0,1]=4 2464 B13R1.577 OCCSc1ccc(c(c1)O)CO 62a_100000071718_100000211926 [1,1,0,0,0,0|1,0,1]=4 2465 B13R1.577 OCCSc1ccc(c(c1)O)CO 62a_100000211926_100000071718 [1,1,0,0,0,0|1,0,1]=4 2466 B13R1.669 CCCC=Cc1cc(c(cn1)O)C 271570a_100016258520_100000692680 [1,1,0,0,0,0|2,0,0]=4 2467 B13R1.669 CCCC=Cc1ccc(c(c1)Br)O 271570a_100016258520_100012361655 [1,1,0,0,0,0|2,0,0]=4 2468 B13R1.669 CCCC=Cc1ccc(c(c1)C)Br 271570a_100016258520_100009813585 [1,1,0,0,0,0|2,0,0]=4 2469 B13R1.669 CCCC=Cc1ccc(c(c1)C)C 271570a_100016258520_100011215607 [1,1,0,0,0,0|2,0,0]=4 2470 B13R1.669 CCCC=Cc1ccc(c(c1)C)Cl 271570a_100016258520_100000049509 [1,1,0,0,0,0|2,0,0]=4 2471 B13R1.669 CCCC=Cc1ccc(c(c1)C)F 271570a_100016258520_100011218330 [1,1,0,0,0,0|2,0,0]=4 2472 B13R1.669 CCCC=Cc1ccc(c(c1)C)N 271570a_100016258520_100000211769 [1,1,0,0,0,0|2,0,0]=4 2473 B13R1.669 CCCC=Cc1ccc(c(c1)C)O 271570a_100016258520_100000186361 [1,1,0,0,0,0|1,0,0]=3 2474 B13R1.669 CCCC=Cc1ccc(c(c1)Cl)O 271570a_100016258520_100012360047 [1,1,0,0,0,0|2,0,0]=4 2475 B13R1.669 CCCC=Cc1ccc(c(c1)F)O 271570a_100016258520_100000185481 [1,1,0,0,0,0|2,0,0]=4 2476 B13R1.669 CCCC=Cc1ccc(c(c1)N)O 271570a_100016258520_100000752626 [1,1,0,0,0,0|2,0,0]=4 2477 B13R1.669 CCCC=Cc1ccc(c(c1)O)Br 271570a_100016258520_100012356990 [1,1,0,0,0,0|2,0,0]=4 2478 B13R1.669 CCCC=Cc1ccc(c(c1)O)C 271570a_100016258520_100000766334 [1,1,0,0,0,0|2,0,0]=4 2479 B13R1.669 CCCC=Cc1ccc(c(c1)O)Cl 271570a_100016258520_100011356854 [1,1,0,0,0,0|2,0,0]=4 2480 B13R1.669 CCCC=Cc1ccc(c(c1)O)F 271570a_100016258520_100000686035 [1,1,0,0,0,0|2,0,0]=4 2481 B13R1.669 CCCC=Cc1ccc(c(c1)O)N 271570a_100016258520_100000739049 [1,1,0,0,0,0|2,0,0]=4 2482 B13R1.669 CCCC=Cc1ccc(c(c1)O)O 271570a_100016258520_100009813601 [1,1,0,0,0,0|1,0,0]=3 2483 B13R1.669 CCCC=Cc1ccc(c(n1)C)O 271570a_100016258520_100010233687 [1,1,0,0,0,0|2,0,0]=4 2484 B13R1.669 CCCC=Cc1cnc(c(c1)C)O 271570a_100016258520_100000685391 [1,1,0,0,0,0|2,0,0]=4 2485 B13R1.669 CCNN=Cc1ccc(c(c1)C)O 4a_100000756455_100011215669 [1,1,0,0,0,0|2,0,0]=4 2486 B13R1.669 CCNN=Cc1ccc(c(c1)O)O 4a_100000756455_100000184535 [1,1,0,0,0,0|2,0,0]=4 2487 B13R1.669 CCOC=Cc1cc(c(cn1)O)C 271570a_100016256518_100000692680 [1,1,0,0,0,0|2,0,0]=4 2488 B13R1.669 CCOC=Cc1ccc(c(c1)Br)O 271570a_100016256518_100012361655 [1,1,0,0,0,0|2,0,0]=4 2489 B13R1.669 CCOC=Cc1ccc(c(c1)C)Br 271570a_100016256518_100009813585 [1,1,0,0,0,0|2,0,0]=4 2490 B13R1.669 CCOC=Cc1ccc(c(c1)C)C 271570a_100016256518_100011215607 [1,1,0,0,0,0|2,0,0]=4 2491 B13R1.669 CCOC=Cc1ccc(c(c1)C)Cl 271570a_100016256518_100000049509 [1,1,0,0,0,0|2,0,0]=4 2492 B13R1.669 CCOC=Cc1ccc(c(c1)C)F 271570a_100016256518_100011218330 [1,1,0,0,0,0|2,0,0]=4 2493 B13R1.669 CCOC=Cc1ccc(c(c1)C)N 271570a_100016256518_100000211769 [1,1,0,0,0,0|2,0,0]=4 2494 B13R1.669 CCOC=Cc1ccc(c(c1)C)O 271570a_100016256518_100000186361 [1,1,0,0,0,0|1,0,0]=3 2495 B13R1.669 CCOC=Cc1ccc(c(c1)Cl)O 271570a_100016256518_100012360047 [1,1,0,0,0,0|2,0,0]=4 2496 B13R1.669 CCOC=Cc1ccc(c(c1)F)O 271570a_100016256518_100000185481 [1,1,0,0,0,0|2,0,0]=4 2497 B13R1.669 CCOC=Cc1ccc(c(c1)N)O 271570a_100016256518_100000752626 [1,1,0,0,0,0|2,0,0]=4 2498 B13R1.669 CCOC=Cc1ccc(c(c1)O)Br 271570a_100016256518_100012356990 [1,1,0,0,0,0|2,0,0]=4 2499 B13R1.669 CCOC=Cc1ccc(c(c1)O)C 271570a_100016256518_100000766334 [1,1,0,0,0,0|2,0,0]=4 2500 B13R1.669 CCOC=Cc1ccc(c(c1)O)Cl 271570a_100016256518_100011356854 [1,1,0,0,0,0|2,0,0]=4 2501 B13R1.669 CCOC=Cc1ccc(c(c1)O)F 271570a_100016256518_100000686035 [1,1,0,0,0,0|2,0,0]=4 2502 B13R1.669 CCOC=Cc1ccc(c(c1)O)N 271570a_100016256518_100000739049 [1,1,0,0,0,0|2,0,0]=4 2503 B13R1.669 CCOC=Cc1ccc(c(c1)O)O 271570a_100016256518_100009813601 [1,1,0,0,0,0|1,0,0]=3 2504 B13R1.669 CCOC=Cc1ccc(c(n1)C)O 271570a_100016256518_100010233687 [1,1,0,0,0,0|2,0,0]=4 2505 B13R1.669 CCOC=Cc1cnc(c(c1)C)O 271570a_100016256518_100000685391 [1,1,0,0,0,0|2,0,0]=4 2506 B13R1.669 COCC=Cc1c[nH]c(=O)c(c1)O 271570a_100016286323_100009814561 [1,1,0,0,0,0|1,0,1]=4 2507 B13R1.669 COCC=Cc1cc(c(cn1)Br)C 271570a_100016286323_100012356354 [1,1,0,0,0,0|2,0,0]=4 2508 B13R1.669 COCC=Cc1cc(c(cn1)C)C 271570a_100016286323_100009850809 [1,1,0,0,0,0|2,0,0]=4 2509 B13R1.669 COCC=Cc1cc(c(cn1)C)O 271570a_100016286323_100000704368 [1,1,0,0,0,0|2,0,0]=4 2510 B13R1.669 COCC=Cc1cc(c(cn1)F)C 271570a_100016286323_100009818257 [1,1,0,0,0,0|2,0,0]=4 2511 B13R1.669 COCC=Cc1cc(c(cn1)F)O 271570a_100016286323_100009854642 [1,1,0,0,0,0|2,0,0]=4 2512 B13R1.669 COCC=Cc1cc(c(cn1)N)C 271570a_100016286323_100000765520 [1,1,0,0,0,0|2,0,0]=4 2513 B13R1.669 COCC=Cc1cc(c(cn1)O)C 271570a_100016286323_100000692680 [1,1,0,0,0,0|1,0,0]=3 2514 B13R1.669 COCC=Cc1cc(c(cn1)O)N 271570a_100016286323_100009819941 [1,1,0,0,0,0|2,0,0]=4 2515 B13R1.669 COCC=Cc1ccc(=O)n(c1)C 271570a_100016286323_100011245003 [1,1,0,0,0,0|1,0,1]=4 2516 B13R1.669 COCC=Cc1ccc(c(c1)Br)Br 271570a_100016286323_100012356285 [1,1,0,0,0,0|2,0,0]=4 2517 B13R1.669 COCC=Cc1ccc(c(c1)Br)C 271570a_100016286323_100011847877 [1,1,0,0,0,0|2,0,0]=4 2518 B13R1.669 COCC=Cc1ccc(c(c1)Br)Cl 271570a_100016286323_100012353702 [1,1,0,0,0,0|2,0,0]=4 2519 B13R1.669 COCC=Cc1ccc(c(c1)Br)F 271570a_100016286323_100012047266 [1,1,0,0,0,0|2,0,0]=4 2520 B13R1.669 COCC=Cc1ccc(c(c1)Br)N 271570a_100016286323_100000750455 [1,1,0,0,0,0|2,0,0]=4 2521 B13R1.669 COCC=Cc1ccc(c(c1)Br)O 271570a_100016286323_100012361655 [1,1,0,0,0,0|1,0,0]=3 2522 B13R1.669 COCC=Cc1ccc(c(c1)C)Br 271570a_100016286323_100009813585 [1,1,0,0,0,0|1,0,0]=3 2523 B13R1.669 COCC=Cc1ccc(c(c1)C)C 271570a_100016286323_100011215607 [1,1,0,0,0,0|1,0,0]=3 2524 B13R1.669 COCC=Cc1ccc(c(c1)C)Cl 271570a_100016286323_100000049509 [1,1,0,0,0,0|1,0,0]=3 2525 B13R1.669 COCC=Cc1ccc(c(c1)C)F 271570a_100016286323_100011218330 [1,1,0,0,0,0|1,0,0]=3 2526 B13R1.669 COCC=Cc1ccc(c(c1)C)N 271570a_100016286323_100000211769 [1,1,0,0,0,0|1,0,0]=3 2527 B13R1.669 COCC=Cc1ccc(c(c1)C)O 271570a_100016286323_100000186361 [1,1,0,0,0,0|0,0,0]=2 2528 B13R1.669 COCC=Cc1ccc(c(c1)Cl)Br 271570a_100016286323_100012047281 [1,1,0,0,0,0|2,0,0]=4 2529 B13R1.669 COCC=Cc1ccc(c(c1)Cl)C 271570a_100016286323_100011216363 [1,1,0,0,0,0|2,0,0]=4 2530 B13R1.669 COCC=Cc1ccc(c(c1)Cl)Cl 271570a_100016286323_100011214914 [1,1,0,0,0,0|2,0,0]=4 2531 B13R1.669 COCC=Cc1ccc(c(c1)Cl)F 271570a_100016286323_100011215976 [1,1,0,0,0,0|2,0,0]=4 2532 B13R1.669 COCC=Cc1ccc(c(c1)Cl)N 271570a_100016286323_100011218065 [1,1,0,0,0,0|2,0,0]=4 2533 B13R1.669 COCC=Cc1ccc(c(c1)Cl)O 271570a_100016286323_100012360047 [1,1,0,0,0,0|1,0,0]=3 2534 B13R1.669 COCC=Cc1ccc(c(c1)F)Br 271570a_100016286323_100000685389 [1,1,0,0,0,0|2,0,0]=4 2535 B13R1.669 COCC=Cc1ccc(c(c1)F)C 271570a_100016286323_100000720648 [1,1,0,0,0,0|2,0,0]=4 2536 B13R1.669 COCC=Cc1ccc(c(c1)F)Cl 271570a_100016286323_100011216805 [1,1,0,0,0,0|2,0,0]=4 2537 B13R1.669 COCC=Cc1ccc(c(c1)F)F 271570a_100016286323_100000750028 [1,1,0,0,0,0|2,0,0]=4 2538 B13R1.669 COCC=Cc1ccc(c(c1)F)N 271570a_100016286323_100011215594 [1,1,0,0,0,0|2,0,0]=4 2539 B13R1.669 COCC=Cc1ccc(c(c1)F)O 271570a_100016286323_100000185481 [1,1,0,0,0,0|1,0,0]=3 2540 B13R1.669 COCC=Cc1ccc(c(c1)N)Br 271570a_100016286323_100000750456 [1,1,0,0,0,0|2,0,0]=4 2541 B13R1.669 COCC=Cc1ccc(c(c1)N)C 271570a_100016286323_100000761890 [1,1,0,0,0,0|2,0,0]=4 2542 B13R1.669 COCC=Cc1ccc(c(c1)N)Cl 271570a_100016286323_200000761891 [1,1,0,0,0,0|2,0,0]=4 2543 B13R1.669 COCC=Cc1ccc(c(c1)N)F 271570a_100016286323_100000740924 [1,1,0,0,0,0|2,0,0]=4 2544 B13R1.669 COCC=Cc1ccc(c(c1)N)N 271570a_100016286323_100000741789 [1,1,0,0,0,0|2,0,0]=4 2545 B13R1.669 COCC=Cc1ccc(c(c1)N)O 271570a_100016286323_100000752626 [1,1,0,0,0,0|1,0,0]=3 2546 B13R1.669 COCC=Cc1ccc(c(c1)O)Br 271570a_100016286323_100012356990 [1,1,0,0,0,0|1,0,0]=3 2547 B13R1.669 COCC=Cc1ccc(c(c1)O)C 271570a_100016286323_100000766334 [1,1,0,0,0,0|1,0,0]=3 2548 B13R1.669 COCC=Cc1ccc(c(c1)O)Cl 271570a_100016286323_100011356854 [1,1,0,0,0,0|1,0,0]=3 2549 B13R1.669 COCC=Cc1ccc(c(c1)O)F 271570a_100016286323_100000686035 [1,1,0,0,0,0|1,0,0]=3 2550 B13R1.669 COCC=Cc1ccc(c(c1)O)N 271570a_100016286323_100000739049 [1,1,0,0,0,0|1,0,0]=3 2551 B13R1.669 COCC=Cc1ccc(c(c1)O)O 271570a_100016286323_100009813601 [1,1,0,0,0,0|0,0,0]=2 2552 B13R1.669 COCC=Cc1ccc(c(n1)Br)O 271570a_100016286323_100000725334 [1,1,0,0,0,0|2,0,0]=4 2553 B13R1.669 COCC=Cc1ccc(c(n1)C)Br 271570a_100016286323_100012360386 [1,1,0,0,0,0|2,0,0]=4 2554 B13R1.669 COCC=Cc1ccc(c(n1)C)C 271570a_100016286323_100000103781 [1,1,0,0,0,0|2,0,0]=4 2555 B13R1.669 COCC=Cc1ccc(c(n1)C)F 271570a_100016286323_100009814307 [1,1,0,0,0,0|2,0,0]=4 2556 B13R1.669 COCC=Cc1ccc(c(n1)C)N 271570a_100016286323_100000760127 [1,1,0,0,0,0|2,0,0]=4 2557 B13R1.669 COCC=Cc1ccc(c(n1)C)O 271570a_100016286323_100010233687 [1,1,0,0,0,0|1,0,0]=3 2558 B13R1.669 COCC=Cc1ccc(c(n1)Cl)O 271570a_100016286323_100000721234 [1,1,0,0,0,0|2,0,0]=4 2559 B13R1.669 COCC=Cc1ccc(c(n1)F)O 271570a_100016286323_100009819667 [1,1,0,0,0,0|2,0,0]=4 2560 B13R1.669 COCC=Cc1ccc(c(n1)N)O 271570a_100016286323_100000685527 [1,1,0,0,0,0|2,0,0]=4 2561 B13R1.669 COCC=Cc1ccc(c(n1)O)F 271570a_100016286323_100010729010 [1,1,0,0,0,0|2,0,0]=4 2562 B13R1.669 COCC=Cc1ccc(c(n1)O)N 271570a_100016286323_100000718904 [1,1,0,0,0,0|2,0,0]=4 2563 B13R1.669 COCC=Cc1cnc(c(c1)C)Br 271570a_100016286323_100009816107 [1,1,0,0,0,0|2,0,0]=4 2564 B13R1.669 COCC=Cc1cnc(c(c1)C)C 271570a_100016286323_100000697892 [1,1,0,0,0,0|2,0,0]=4 2565 B13R1.669 COCC=Cc1cnc(c(c1)C)Cl 271570a_100016286323_100009922867 [1,1,0,0,0,0|2,0,0]=4 2566 B13R1.669 COCC=Cc1cnc(c(c1)C)F 271570a_100016286323_100000709442 [1,1,0,0,0,0|2,0,0]=4 2567 B13R1.669 COCC=Cc1cnc(c(c1)C)N 271570a_100016286323_100000186686 [1,1,0,0,0,0|2,0,0]=4 2568 B13R1.669 COCC=Cc1cnc(c(c1)C)O 271570a_100016286323_100000685391 [1,1,0,0,0,0|1,0,0]=3 2569 B13R1.669 COCC=Cc1cnc(c(c1)Cl)O 271570a_100016286323_100010238531 [1,1,0,0,0,0|2,0,0]=4 2570 B13R1.669 COCC=Cc1cnc(c(c1)N)O 271570a_100016286323_100000743729 [1,1,0,0,0,0|2,0,0]=4 2571 B13R1.669 COCC=Cc1cnc(c(c1)O)C 271570a_100016286323_100009864810 [1,1,0,0,0,0|2,0,0]=4 2572 B13R1.669 COCC=Cc1cnc(c(c1)O)F 271570a_100016286323_100009819871 [1,1,0,0,0,0|2,0,0]=4 2573 B13R1.669 COCC=Cc1cnc(c(c1)O)N 271570a_100016286323_100009819042 [1,1,0,0,0,0|2,0,0]=4 2574 B13R1.669 COCCNc1ccc(c(c1)C)O 34a_100011218179_100011201679 [1,1,0,0,0,0|1,0,1]=4 2575 B13R1.669 COCCNc1ccc(c(c1)C)O 7a_100011218179_100000233755 [1,1,0,0,0,0|1,0,1]=4 2576 B13R1.669 COCCNc1ccc(c(c1)O)O 34a_100102946323_100011201679 [1,1,0,0,0,0|1,0,1]=4 2577 B13R1.669 COCCSc1ccc(c(c1)C)O 62a_100000233755_100000186361 [1,1,0,0,0,0|1,0,1]=4 2578 B13R1.669 COCCSc1ccc(c(c1)O)O 62a_100000233755_100009813601 [1,1,0,0,0,0|1,0,1]=4 2579 B13R1.669 Cc1cc(ccc1O)NCCCO 34a_100011218179_100000230001 [1,1,0,0,0,0|0,0,2]=4 2580 B13R1.669 Cc1cc(ccc1O)NCCCO 7a_100011218179_100011215043 [1,1,0,0,0,0|0,0,2]=4 2581 B13R1.669 Cc1cc(ccc1O)SCCCO 62a_100011215043_100000186361 [1,1,0,0,0,0|0,0,2]=4 2582 B13R1.669 OCCCNc1ccc(c(c1)O)O 34a_100102946323_100000230001 [1,1,0,0,0,0|0,0,2]=4 2583 B13R1.669 OCCCSc1ccc(c(c1)O)O 62a_100011215043_100009813601 [1,1,0,0,0,0|0,0,2]=4 2584 B13R1.669 OCCNCc1ccc(c(c1)O)O 34a_100000010075_100000211926 [1,1,0,0,0,0|0,0,2]=4 2585 B13R1.1630 Cc1cc(c(cc1O)C)NCCO 34a_100000720036_100000211926 [1,1,0,0,0,0|1,0,1]=4 2586 B13R1.1630 Cc1cc(c(cc1O)C)NCCO 7a_100000720036_100000211926 [1,1,0,0,0,0|1,0,1]=4 2587 B13R1.1630 Cc1cc(c(cc1O)C)SCCO 62a_100000211926_100000698207 [1,1,0,0,0,0|1,0,1]=4 2588 B13R1.1630 Cc1cc(c(cc1O)C)SCCO 62a_100000698207_100000211926 [1,1,0,0,0,0|1,0,1]=4 2589 B13R1.2879 CC(CO)Nc1ccc(c(c1)O)O 34a_100102946323_100012180447 [1,1,0,0,0,0|1,0,1]=4 2590 B13R1.2879 CC(CO)Sc1ccc(c(c1)O)O 62a_100012180447_100009813601 [1,1,0,0,0,0|1,0,1]=4 2591 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_100000210202 [1,1,0,0,0,0|1,0,1]=4 2592 B13R1.2879 CCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210202 [1,1,0,0,0,0|1,0,1]=4 2593 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100000210414 [1,1,0,0,0,0|2,0,0]=4 2594 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000210414 [1,1,0,0,0,0|2,0,0]=4 2595 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100000210414 [1,1,0,0,0,0|2,0,0]=4 2596 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000210414 [1,1,0,0,0,0|2,0,0]=4 2597 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000210414 [1,1,0,0,0,0|2,0,0]=4 2598 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)O 62a_100016084084_100009813601 [1,1,0,0,0,0|1,0,1]=4 2599 B13R1.2879 Cc1cc(ccc1Br)CC(=O)CO 1458a_100000210174_100000727479 [1,1,0,0,0,0|1,0,1]=4 2600 B13R1.2879 Cc1cc(ccc1Br)NC(=O)CO 22a_100000210723_100000210174 [1,1,0,0,0,0|2,0,0]=4 2601 B13R1.2879 Cc1cc(ccc1Br)NC(=O)CO 527a_100000210723_100000210174 [1,1,0,0,0,0|2,0,0]=4 2602 B13R1.2879 Cc1cc(ccc1Cl)CC(=O)CO 1458a_100000210174_100012184735 [1,1,0,0,0,0|1,0,1]=4 2603 B13R1.2879 Cc1cc(ccc1Cl)NC(=O)CO 22a_100000187808_100000210174 [1,1,0,0,0,0|2,0,0]=4 2604 B13R1.2879 Cc1cc(ccc1Cl)NC(=O)CO 527a_100000187808_100000210174 [1,1,0,0,0,0|2,0,0]=4 2605 B13R1.2879 Cc1cc(ccc1F)CC(=O)CO 1458a_100000210174_100011216667 [1,1,0,0,0,0|1,0,1]=4 2606 B13R1.2879 Cc1cc(ccc1F)NC(=O)CO 22a_100000750164_100000210174 [1,1,0,0,0,0|2,0,0]=4 2607 B13R1.2879 Cc1cc(ccc1F)NC(=O)CO 527a_100000750164_100000210174 [1,1,0,0,0,0|2,0,0]=4 2608 B13R1.2879 Cc1cc(ccc1I)NC(=O)CO 22a_100000198070_100000210174 [1,1,0,0,0,0|2,0,0]=4 2609 B13R1.2879 Cc1cc(ccc1I)NC(=O)CO 527a_100000198070_100000210174 [1,1,0,0,0,0|2,0,0]=4 2610 B13R1.2879 Cc1cc(ccc1O)CC(=O)CF 1458a_100000083968_100015361967 [1,1,0,0,0,0|1,0,1]=4 2611 B13R1.2879 Cc1cc(ccc1O)NC(=O)CO 22a_100011218179_100000210174 [1,1,0,0,0,0|1,0,0]=3 2612 B13R1.2879 Cc1cc(ccc1O)NC(=O)CO 527a_100011218179_100000210174 [1,1,0,0,0,0|1,0,0]=3 2613 B13R1.2879 Cc1cc(ccc1O)NC(C)CO 34a_100011218179_100012180447 [1,1,0,0,0,0|1,0,1]=4 2614 B13R1.2879 Cc1cc(ccc1O)NC(C)CO 7a_100011218179_100012180447 [1,1,0,0,0,0|1,0,1]=4 2615 B13R1.2879 Cc1cc(ccc1O)SC(C)CO 62a_100012180447_100000186361 [1,1,0,0,0,0|1,0,1]=4 2616 B13R1.2879 Cc1cc(ccc1O)S[C@H](C)CO 62a_100016084084_100000186361 [1,1,0,0,0,0|1,0,1]=4 2617 B13R1.2879 Cc1ccc(cc1C)CC(=O)CO 1458a_100000210174_100000742320 [1,1,0,0,0,0|1,0,1]=4 2618 B13R1.2879 Cc1ccc(cc1C)NC(=O)CO 22a_100000724040_100000210174 [1,1,0,0,0,0|2,0,0]=4 2619 B13R1.2879 Cc1ccc(cc1C)NC(=O)CO 527a_100000724040_100000210174 [1,1,0,0,0,0|2,0,0]=4 2620 B13R1.2879 Cc1ccc(cc1O)NC(=O)CO 22a_100000759471_100000210174 [1,1,0,0,0,0|2,0,0]=4 2621 B13R1.2879 Cc1ccc(cc1O)NC(=O)CO 527a_100000759471_100000210174 [1,1,0,0,0,0|2,0,0]=4 2622 B13R1.2879 O=C(CF)Cc1ccc(c(c1)O)O 1458a_100000031429_100015361967 [1,1,0,0,0,0|1,0,1]=4 2623 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)O 22a_100011534360_100000210174 [1,1,0,0,0,0|2,0,0]=4 2624 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)O 527a_100011534360_100000210174 [1,1,0,0,0,0|2,0,0]=4 2625 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000210174 [1,1,0,0,0,0|2,0,0]=4 2626 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)O 22a_100011220035_100000210174 [1,1,0,0,0,0|2,0,0]=4 2627 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)O 527a_100011220035_100000210174 [1,1,0,0,0,0|2,0,0]=4 2628 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000210174 [1,1,0,0,0,0|2,0,0]=4 2629 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)F 22a_100012017398_100000210174 [1,1,0,0,0,0|2,0,0]=4 2630 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)F 527a_100012017398_100000210174 [1,1,0,0,0,0|2,0,0]=4 2631 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)O 22a_100102946323_100000210174 [1,1,0,0,0,0|1,0,0]=3 2632 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)O 527a_100102946323_100000210174 [1,1,0,0,0,0|1,0,0]=3 2633 B13R1.3518 Cc1c(ccc(c1C)NCCO)O 34a_200011216674_100000211926 [1,1,0,0,0,0|1,0,1]=4 2634 B13R1.3518 Cc1c(ccc(c1C)NCCO)O 7a_200011216674_100000211926 [1,1,0,0,0,0|1,0,1]=4 2635 B13R1.3518 Cc1c(ccc(c1C)SCCO)O 62a_100000211926_100012353674 [1,1,0,0,0,0|1,0,1]=4 2636 B13R1.3518 Cc1c(ccc(c1C)SCCO)O 62a_100012353674_100000211926 [1,1,0,0,0,0|1,0,1]=4 2637 B13R1.3518 Cc1c(ccc(c1F)NCCO)O 34a_200000126710_100000211926 [1,1,0,0,0,0|1,0,1]=4 2638 B13R1.3518 Cc1c(ccc(c1F)NCCO)O 7a_200000126710_100000211926 [1,1,0,0,0,0|1,0,1]=4 2639 B13R1.3518 Cc1c(ccc(c1F)SCCO)O 62a_100000211926_100010390934 [1,1,0,0,0,0|1,0,1]=4 2640 B13R1.3518 Cc1c(ccc(c1F)SCCO)O 62a_100010390934_100000211926 [1,1,0,0,0,0|1,0,1]=4 2641 B15R1.392 CC(O)C=Cc1cc(c(c(c1)C=O)O)F 271570a_200011019289_100011217654 [0,2,0,0,0,0|2,0,0]=4 2642 B15R1.392 CCc1cc(cc(c1N)C)C=CC(C)O 271570a_200011019289_200000186424 [0,2,0,0,0,0|2,0,0]=4 2643 B15R1.392 CCc1cc(cc(c1O)C)C=CC(C)C 271570a_100016257149_100010659108 [0,2,0,0,0,0|2,0,0]=4 2644 B15R1.392 CCc1cc(cc(c1O)C)C=CC(C)O 271570a_200011019289_100010659108 [0,2,0,0,0,0|1,0,0]=3 2645 B15R1.392 COc1cc(cc(c1F)C)C=CC(C)C 271570a_100016257149_100010271686 [0,2,0,0,0,0|2,0,0]=4 2646 B15R1.392 COc1cc(cc(c1F)C)C=CC(C)O 271570a_200011019289_100010271686 [0,2,0,0,0,0|1,0,0]=3 2647 B15R1.392 COc1cc(cc(c1F)F)C=CC(C)C 271570a_100016257149_100011218012 [0,2,0,0,0,0|2,0,0]=4 2648 B15R1.392 COc1cc(cc(c1F)F)C=CC(C)O 271570a_200011019289_100011218012 [0,2,0,0,0,0|1,0,0]=3 2649 B15R1.392 COc1cc(cc(c1F)O)C=CC(C)C 271570a_100016257149_200015524394 [0,2,0,0,0,0|2,0,0]=4 2650 B15R1.392 COc1cc(cc(c1F)O)C=CC(C)O 271570a_200011019289_200015524394 [0,2,0,0,0,0|1,0,0]=3 2651 B15R1.392 COc1cc(cc(c1N)C)C=CC(C)C 271570a_100016257149_100000741850 [0,2,0,0,0,0|2,0,0]=4 2652 B15R1.392 COc1cc(cc(c1N)C)C=CC(C)O 271570a_200011019289_100000741850 [0,2,0,0,0,0|1,0,0]=3 2653 B15R1.392 COc1cc(cc(c1O)Br)C=CC(=O)C 1458a_100015195021_200000210301 [0,2,0,0,0,0|0,0,2]=4 2654 B15R1.392 COc1cc(cc(c1O)Br)C=CC(=O)[13CH3] 1458a_100015195021_200025704644 [0,2,0,0,0,0|0,0,2]=4 2655 B15R1.392 COc1cc(cc(c1O)I)C=CC(=O)C 1458a_200021160827_200000210301 [0,2,0,0,0,0|0,0,2]=4 2656 B15R1.392 COc1cc(cc(c1O)I)C=CC(=O)[13CH3] 1458a_200021160827_200025704644 [0,2,0,0,0,0|0,0,2]=4 2657 B15R1.392 COc1cc(cc(c1O)O)SCC(C)O 62a_100011218427_200159242197 [0,2,0,0,0,0|1,0,1]=4 2658 B15R1.392 COc1cc(cc(c1O)O)SC[C@@H](C)O 62a_100009817552_200159242197 [0,2,0,0,0,0|1,0,1]=4 2659 B15R1.392 Cc1cc(cc(c1O)C#N)C=CC(C)O 271570a_200011019289_100010195408 [0,2,0,0,0,0|2,0,0]=4 2660 B15R1.531 CCNc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000696630 [0,2,0,0,0,0|2,0,0]=4 2661 B15R1.531 CCOc1cc(ccc1C)C=CC(C)C 271570a_100016257149_100012361169 [0,2,0,0,0,0|2,0,0]=4 2662 B15R1.531 CCOc1cc(ccc1C)C=CC(C)O 271570a_200011019289_100012361169 [0,2,0,0,0,0|1,0,0]=3 2663 B15R1.531 CCOc1cc(ccc1F)C=CC(C)C 271570a_100016257149_200012344967 [0,2,0,0,0,0|2,0,0]=4 2664 B15R1.531 CCOc1cc(ccc1F)C=CC(C)O 271570a_200011019289_200012344967 [0,2,0,0,0,0|1,0,0]=3 2665 B15R1.531 CCOc1cc(ccc1N)C=CC(C)C 271570a_100016257149_100000688918 [0,2,0,0,0,0|2,0,0]=4 2666 B15R1.531 CCOc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000688918 [0,2,0,0,0,0|1,0,0]=3 2667 B15R1.531 CCOc1cc(cnc1F)C=CC(C)O 271570a_200011019289_100010732568 [0,2,0,0,0,0|2,0,0]=4 2668 B15R1.531 CCOc1cc(ncc1N)C=CC(C)O 271570a_200011019289_100015764953 [0,2,0,0,0,0|2,0,0]=4 2669 B15R1.531 CNCc1cc(ccc1C)C=CC(C)O 271570a_200011019289_106744473289 [0,2,0,0,0,0|2,0,0]=4 2670 B15R1.531 CNCc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100000748472 [0,2,0,0,0,0|2,0,0]=4 2671 B15R1.531 CNCc1cc(ccc1O)C=CC(C)C 271570a_100016257149_100011602694 [0,2,0,0,0,0|2,0,0]=4 2672 B15R1.531 CNCc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100011602694 [0,2,0,0,0,0|1,0,0]=3 2673 B15R1.531 COCc1cc(ccc1Br)C=CC(C)C 271570a_100016257149_202125822959 [0,2,0,0,0,0|2,0,0]=4 2674 B15R1.531 COCc1cc(ccc1Br)C=CC(C)O 271570a_200011019289_202125822959 [0,2,0,0,0,0|1,0,0]=3 2675 B15R1.531 COCc1cc(ccc1F)C=CC(C)C 271570a_100016257149_100010140362 [0,2,0,0,0,0|2,0,0]=4 2676 B15R1.531 COCc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100010140362 [0,2,0,0,0,0|1,0,0]=3 2677 B15R1.873 CC(=O)c1cc(ccc1C)C=CC(C)O 271570a_200011019289_100012706819 [0,2,0,0,0,0|2,0,0]=4 2678 B15R1.873 CC(=O)c1cc(ccc1Cl)C=CC(C)O 271570a_200011019289_100010712560 [0,2,0,0,0,0|2,0,0]=4 2679 B15R1.873 CC(=O)c1cc(ccc1F)C=CC(C)O 271570a_200011019289_100000689017 [0,2,0,0,0,0|2,0,0]=4 2680 B15R1.873 CC(=O)c1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000695420 [0,2,0,0,0,0|2,0,0]=4 2681 B15R1.873 CC(=O)c1cc(ccc1O)C=CC(C)C 271570a_100016257149_100000212127 [0,2,0,0,0,0|2,0,0]=4 2682 B15R1.873 CC(=O)c1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000212127 [0,2,0,0,0,0|1,0,0]=3 2683 B15R1.873 CC(C)C=Cc1ccc(c(c1)C(C)C)O 271570a_100016257149_100000691460 [0,2,0,0,0,0|2,0,0]=4 2684 B15R1.873 CC(O)C=Cc1ccc(c(c1)B(O)O)O 271570a_200011019289_200009814749 [0,2,0,0,0,0|2,0,0]=4 2685 B15R1.873 CC(O)C=Cc1ccc(c(c1)C(=O)N)O 271570a_200011019289_100000192807 [0,2,0,0,0,0|2,0,0]=4 2686 B15R1.873 CC(O)C=Cc1ccc(c(c1)C(C)C)F 271570a_200011019289_200053017515 [0,2,0,0,0,0|2,0,0]=4 2687 B15R1.873 CC(O)C=Cc1ccc(c(c1)C(C)C)N 271570a_200011019289_100000694223 [0,2,0,0,0,0|2,0,0]=4 2688 B15R1.873 CC(O)C=Cc1ccc(c(c1)C(C)C)O 271570a_200011019289_100000691460 [0,2,0,0,0,0|1,0,0]=3 2689 B15R1.873 CC(O)C=Cc1ccc(c(c1)C(C)O)F 271570a_200011019289_100011943926 [0,2,0,0,0,0|2,0,0]=4 2690 B15R1.873 CC(O)C=Cc1ccc(c(c1)N(C)C)F 271570a_200011019289_100010288836 [0,2,0,0,0,0|2,0,0]=4 2691 B15R1.1803 CC(O)C=Cc1cc(c(cc1F)O)C=O 271570a_200011019289_100010175118 [0,2,0,0,0,0|2,0,0]=4 2692 B15R1.1803 CC(O)C=Cc1cc(c(cc1O)O)C=O 271570a_200011019289_200010132312 [0,2,0,0,0,0|2,0,0]=4 2693 B15R1.1803 CNc1cc(c(cc1N)F)C=CC(C)O 271570a_200011019289_100013631271 [0,2,0,0,0,0|2,0,0]=4 2694 B15R1.1803 COc1cc(c(cc1Br)Br)C=CC(C)C 271570a_100016257149_200014006352 [0,2,0,0,0,0|2,0,0]=4 2695 B15R1.1803 COc1cc(c(cc1Br)Br)C=CC(C)O 271570a_200011019289_200014006352 [0,2,0,0,0,0|1,0,0]=3 2696 B15R1.1803 COc1cc(c(cc1C)N)C=CC(C)C 271570a_100016257149_200010584344 [0,2,0,0,0,0|2,0,0]=4 2697 B15R1.1803 COc1cc(c(cc1C)N)C=CC(C)O 271570a_200011019289_200010584344 [0,2,0,0,0,0|1,0,0]=3 2698 B15R1.1803 COc1cc(c(cc1Cl)F)C=CC(C)C 271570a_100016257149_100010739614 [0,2,0,0,0,0|2,0,0]=4 2699 B15R1.1803 COc1cc(c(cc1Cl)F)C=CC(C)O 271570a_200011019289_100010739614 [0,2,0,0,0,0|1,0,0]=3 2700 B15R1.1803 COc1cc(c(cc1F)C)C=CC(C)C 271570a_100016257149_100011009880 [0,2,0,0,0,0|2,0,0]=4 2701 B15R1.1803 COc1cc(c(cc1F)C)C=CC(C)O 271570a_200011019289_100011009880 [0,2,0,0,0,0|1,0,0]=3 2702 B15R1.1803 COc1cc(c(cc1F)F)C=CC(C)C 271570a_100016257149_200015541288 [0,2,0,0,0,0|2,0,0]=4 2703 B15R1.1803 COc1cc(c(cc1F)F)C=CC(C)O 271570a_200011019289_200015541288 [0,2,0,0,0,0|1,0,0]=3 2704 B15R1.1803 COc1cc(c(cc1F)N)C=CC(C)C 271570a_100016257149_100010365326 [0,2,0,0,0,0|2,0,0]=4 2705 B15R1.1803 COc1cc(c(cc1F)N)C=CC(C)O 271570a_200011019289_100010365326 [0,2,0,0,0,0|1,0,0]=3 2706 B15R1.1803 COc1cc(c(cc1N)C)C=CC(C)C 271570a_100016257149_100010141321 [0,2,0,0,0,0|2,0,0]=4 2707 B15R1.1803 COc1cc(c(cc1N)C)C=CC(C)O 271570a_200011019289_100010141321 [0,2,0,0,0,0|1,0,0]=3 2708 B15R1.1803 COc1cc(c(cc1N)F)C=CC(C)C 271570a_100016257149_100012766639 [0,2,0,0,0,0|2,0,0]=4 2709 B15R1.1803 COc1cc(c(cc1N)F)C=CC(C)O 271570a_200011019289_100012766639 [0,2,0,0,0,0|1,0,0]=3 2710 B15R1.1803 COc1cc(c(cc1O)F)C=CC(C)C 271570a_100016257149_100010189133 [0,2,0,0,0,0|1,0,0]=3 2711 B15R1.1803 COc1cc(c(cc1O)F)C=CC(C)O 271570a_200011019289_100010189133 [0,2,0,0,0,0|0,0,0]=2 2712 B15R1.1803 COc1cc(c(cc1O)F)SCC(C)O 62a_100011218427_100010189133 [0,2,0,0,0,0|1,0,1]=4 2713 B15R1.1803 COc1cc(c(cc1O)F)SC[C@@H](C)O 62a_100009817552_100010189133 [0,2,0,0,0,0|1,0,1]=4 2714 B15R1.1803 COc1cc(c(nc1N)C)C=CC(C)O 271570a_200011019289_200010892190 [0,2,0,0,0,0|2,0,0]=4 2715 B15R1.4027 CC(C)(O)C=Cc1ccc(c(c1)C#N)O 271570a_200016258132_100000687585 [0,2,0,0,0,0|2,0,0]=4 2716 B15R1.4027 CC(C)(O)C=Cc1ccc(c(c1)C=O)O 271570a_200016258132_100000186750 [0,2,0,0,0,0|2,0,0]=4 2717 B15R1.4027 CC(C)(O)C=Cc1ccc(c(c1)CN)O 271570a_200016258132_100000730032 [0,2,0,0,0,0|2,0,0]=4 2718 B15R1.4027 CC(C)(O)C=Cc1ccc(c(c1)CO)O 271570a_200016258132_100000184703 [0,2,0,0,0,0|2,0,0]=4 2719 B15R1.4027 CCc1cc(ccc1Br)C=CC(C)(C)O 271570a_200016258132_100010244631 [0,2,0,0,0,0|2,0,0]=4 2720 B15R1.4027 CCc1cc(ccc1F)C=CC(C)(C)O 271570a_200016258132_100010244625 [0,2,0,0,0,0|2,0,0]=4 2721 B15R1.4027 CCc1cc(ccc1N)C=CC(C)(C)O 271570a_200016258132_100000686106 [0,2,0,0,0,0|2,0,0]=4 2722 B15R1.4027 CCc1cc(ccc1O)C=CC(C)(C)C 271570a_100102527731_100012338938 [0,2,0,0,0,0|2,0,0]=4 2723 B15R1.4027 CCc1cc(ccc1O)C=CC(C)(C)O 271570a_200016258132_100012338938 [0,2,0,0,0,0|1,0,0]=3 2724 B15R1.4027 CNc1cc(ccc1C)C=CC(C)(C)O 271570a_200016258132_100020629602 [0,2,0,0,0,0|2,0,0]=4 2725 B15R1.4027 CNc1cc(ccc1F)C=CC(C)(C)O 271570a_200016258132_100011314990 [0,2,0,0,0,0|2,0,0]=4 2726 B15R1.4027 CNc1cc(ccc1N)C=CC(C)(C)O 271570a_200016258132_100000694363 [0,2,0,0,0,0|2,0,0]=4 2727 B15R1.4027 COc1cc(c[nH]c1=O)C=CC(C)(C)O 271570a_200016258132_100010125397 [0,2,0,0,0,0|1,0,1]=4 2728 B15R1.4027 COc1cc(ccc1Br)C=CC(C)(C)C 271570a_100102527731_100012353699 [0,2,0,0,0,0|2,0,0]=4 2729 B15R1.4027 COc1cc(ccc1Br)C=CC(C)(C)O 271570a_200016258132_100012353699 [0,2,0,0,0,0|1,0,0]=3 2730 B15R1.4027 COc1cc(ccc1C)C=CC(C)(C)C 271570a_100102527731_100011830276 [0,2,0,0,0,0|2,0,0]=4 2731 B15R1.4027 COc1cc(ccc1C)C=CC(C)(C)O 271570a_200016258132_100011830276 [0,2,0,0,0,0|1,0,0]=3 2732 B15R1.4027 COc1cc(ccc1Cl)C=CC(C)(C)C 271570a_100102527731_100011356853 [0,2,0,0,0,0|2,0,0]=4 2733 B15R1.4027 COc1cc(ccc1Cl)C=CC(C)(C)O 271570a_200016258132_100011356853 [0,2,0,0,0,0|1,0,0]=3 2734 B15R1.4027 COc1cc(ccc1F)C=CC(C)(C)C 271570a_100102527731_100011934186 [0,2,0,0,0,0|2,0,0]=4 2735 B15R1.4027 COc1cc(ccc1F)C=CC(C)(C)O 271570a_200016258132_100011934186 [0,2,0,0,0,0|1,0,0]=3 2736 B15R1.4027 COc1cc(ccc1N)C=CC(C)(C)C 271570a_100102527731_100011279103 [0,2,0,0,0,0|2,0,0]=4 2737 B15R1.4027 COc1cc(ccc1N)C=CC(C)(C)O 271570a_200016258132_100011279103 [0,2,0,0,0,0|1,0,0]=3 2738 B15R1.4027 COc1cc(ccc1O)C=CC(C)(C)C 271570a_100102527731_100000694246 [0,2,0,0,0,0|1,0,0]=3 2739 B15R1.4027 COc1cc(ccc1O)C=CC(C)(C)O 271570a_200016258132_100000694246 [0,2,0,0,0,0|0,0,0]=2 2740 B15R1.4027 COc1cc(ccc1O)NCC(C)(C)O 34a_100000726020_100000764493 [0,2,0,0,0,0|1,0,1]=4 2741 B15R1.4027 COc1cc(ccc1O)SCC(C)(C)O 62a_100000764493_100000694246 [0,2,0,0,0,0|1,0,1]=4 2742 B15R1.4027 COc1cc(cnc1C)C=CC(C)(C)O 271570a_200016258132_100010254219 [0,2,0,0,0,0|2,0,0]=4 2743 B15R1.4027 COc1cc(cnc1F)C=CC(C)(C)O 271570a_200016258132_100010214931 [0,2,0,0,0,0|2,0,0]=4 2744 B15R1.4027 COc1cc(cnc1N)C=CC(C)(C)O 271570a_200016258132_106354213024 [0,2,0,0,0,0|2,0,0]=4 2745 B15R1.4027 COc1cc(ncc1C)C=CC(C)(C)O 271570a_200016258132_100010067687 [0,2,0,0,0,0|2,0,0]=4 2746 B15R1.4027 COc1cc(ncc1F)C=CC(C)(C)O 271570a_200016258132_200010136270 [0,2,0,0,0,0|2,0,0]=4 2747 B15R1.4027 COc1cc(ncc1N)C=CC(C)(C)O 271570a_200016258132_100009887741 [0,2,0,0,0,0|2,0,0]=4 2748 B15R1.4027 COc1nc(ccc1N)C=CC(C)(C)O 271570a_200016258132_100000687816 [0,2,0,0,0,0|2,0,0]=4 2749 B15R1.4027 COc1nc(ccc1O)C=CC(C)(C)C 271570a_100102527731_100010893133 [0,2,0,0,0,0|2,0,0]=4 2750 B15R1.4027 COc1nc(ccc1O)C=CC(C)(C)O 271570a_200016258132_100010893133 [0,2,0,0,0,0|1,0,0]=3 2751 B15R1.4027 COc1nc(cnc1O)C=CC(C)(C)O 271570a_200016258132_200010365344 [0,2,0,0,0,0|2,0,0]=4 2752 B15R1.4027 CSc1cc(ccc1F)C=CC(C)(C)O 271570a_200016258132_100010341305 [0,2,0,0,0,0|1,1,0]=4 2753 B15R1.4037 COc1cc(ccc1Br)C(=O)CC(C)O 1458a_100011934951_100011218427 [0,2,0,0,0,0|1,0,1]=4 2754 B15R1.4037 COc1cc(ccc1C)C(=O)CC(C)O 1458a_100000212341_100011218427 [0,2,0,0,0,0|1,0,1]=4 2755 B15R1.4037 COc1cc(ccc1Cl)C(=O)CC(C)O 1458a_100000181799_100011218427 [0,2,0,0,0,0|1,0,1]=4 2756 B15R1.4037 COc1cc(ccc1F)C(=O)CC(C)O 1458a_100000757635_100011218427 [0,2,0,0,0,0|1,0,1]=4 2757 B15R1.4037 COc1cc(ccc1I)C(=O)CC(C)O 1458a_100012356290_100011218427 [0,2,0,0,0,0|1,0,1]=4 2758 B15R1.4037 COc1cc(ccc1O)C(=O)CC(C)C 1458a_100000687070_100000210624 [0,2,0,0,0,0|1,0,1]=4 2759 B15R1.4037 COc1cc(ccc1O)C(=O)CC(C)O 1458a_100000687070_100011218427 [0,2,0,0,0,0|0,0,1]=3 2760 B15R1.4037 COc1cc(ccc1O)C(=O)CC(F)F 1458a_100000687070_100011934356 [0,2,0,0,0,0|1,0,1]=4 2761 B15R1.4037 COc1cc(ccc1O)C(=O)NC(C)C 240690a_100138425928_100000687070 [0,2,0,0,0,0|2,0,0]=4 2762 B15R1.4037 COc1cc(ccc1O)C(=O)NC(C)C 271570a_203496583355_200010239583 [0,2,0,0,0,0|2,0,0]=4 2763 B15R1.4038 COc1cc(ccc1Br)CC(=O)C(O)O 1458a_100000233687_100010110085 [0,2,0,0,0,0|1,0,1]=4 2764 B15R1.4038 COc1cc(ccc1Br)CC(=O)[C@@H](C)O 1458a_100000717761_100010110085 [0,2,0,0,0,0|1,0,1]=4 2765 B15R1.4038 COc1cc(ccc1Br)CC(=O)[C@H](C)O 1458a_217856618621_100010110085 [0,2,0,0,0,0|1,0,1]=4 2766 B15R1.4038 COc1cc(ccc1Br)NC(=O)C(O)O 22a_100000765947_100000233687 [0,2,0,0,0,0|2,0,0]=4 2767 B15R1.4038 COc1cc(ccc1Br)NC(=O)[C@@H](C)O 22a_100000765947_100000717761 [0,2,0,0,0,0|2,0,0]=4 2768 B15R1.4038 COc1cc(ccc1Br)NC(=O)[C@H](C)O 1626a_100000765947_217856618621 [0,2,0,0,0,0|2,0,0]=4 2769 B15R1.4038 COc1cc(ccc1Br)NC(=O)[C@H](C)O 22a_100000765947_217856618621 [0,2,0,0,0,0|2,0,0]=4 2770 B15R1.4038 COc1cc(ccc1C)NC(=O)C(O)O 22a_100011279678_100000233687 [0,2,0,0,0,0|2,0,0]=4 2771 B15R1.4038 COc1cc(ccc1C)NC(=O)[C@@H](C)O 22a_100011279678_100000717761 [0,2,0,0,0,0|2,0,0]=4 2772 B15R1.4038 COc1cc(ccc1C)NC(=O)[C@H](C)O 1626a_100011279678_217856618621 [0,2,0,0,0,0|2,0,0]=4 2773 B15R1.4038 COc1cc(ccc1C)NC(=O)[C@H](C)O 22a_100011279678_217856618621 [0,2,0,0,0,0|2,0,0]=4 2774 B15R1.4038 COc1cc(ccc1Cl)CC(=O)C(O)O 1458a_100000233687_200010214485 [0,2,0,0,0,0|1,0,1]=4 2775 B15R1.4038 COc1cc(ccc1Cl)CC(=O)[C@@H](C)O 1458a_100000717761_200010214485 [0,2,0,0,0,0|1,0,1]=4 2776 B15R1.4038 COc1cc(ccc1Cl)CC(=O)[C@H](C)O 1458a_217856618621_200010214485 [0,2,0,0,0,0|1,0,1]=4 2777 B15R1.4038 COc1cc(ccc1Cl)NC(=O)C(O)O 22a_100000742311_100000233687 [0,2,0,0,0,0|2,0,0]=4 2778 B15R1.4038 COc1cc(ccc1Cl)NC(=O)[C@@H](C)O 22a_100000742311_100000717761 [0,2,0,0,0,0|2,0,0]=4 2779 B15R1.4038 COc1cc(ccc1Cl)NC(=O)[C@H](C)O 1626a_100000742311_217856618621 [0,2,0,0,0,0|2,0,0]=4 2780 B15R1.4038 COc1cc(ccc1Cl)NC(=O)[C@H](C)O 22a_100000742311_217856618621 [0,2,0,0,0,0|2,0,0]=4 2781 B15R1.4038 COc1cc(ccc1F)CC(=O)C(O)O 1458a_100000233687_100012349856 [0,2,0,0,0,0|1,0,1]=4 2782 B15R1.4038 COc1cc(ccc1F)CC(=O)[C@@H](C)O 1458a_100000717761_100012349856 [0,2,0,0,0,0|1,0,1]=4 2783 B15R1.4038 COc1cc(ccc1F)CC(=O)[C@H](C)O 1458a_217856618621_100012349856 [0,2,0,0,0,0|1,0,1]=4 2784 B15R1.4038 COc1cc(ccc1F)NC(=O)C(O)O 22a_100000701188_100000233687 [0,2,0,0,0,0|2,0,0]=4 2785 B15R1.4038 COc1cc(ccc1F)NC(=O)[C@@H](C)O 22a_100000701188_100000717761 [0,2,0,0,0,0|2,0,0]=4 2786 B15R1.4038 COc1cc(ccc1F)NC(=O)[C@H](C)O 1626a_100000701188_217856618621 [0,2,0,0,0,0|2,0,0]=4 2787 B15R1.4038 COc1cc(ccc1F)NC(=O)[C@H](C)O 22a_100000701188_217856618621 [0,2,0,0,0,0|2,0,0]=4 2788 B15R1.4038 COc1cc(ccc1I)NC(=O)C(O)O 22a_100000746945_100000233687 [0,2,0,0,0,0|2,0,0]=4 2789 B15R1.4038 COc1cc(ccc1I)NC(=O)[C@@H](C)O 22a_100000746945_100000717761 [0,2,0,0,0,0|2,0,0]=4 2790 B15R1.4038 COc1cc(ccc1I)NC(=O)[C@H](C)O 1626a_100000746945_217856618621 [0,2,0,0,0,0|2,0,0]=4 2791 B15R1.4038 COc1cc(ccc1I)NC(=O)[C@H](C)O 22a_100000746945_217856618621 [0,2,0,0,0,0|2,0,0]=4 2792 B15R1.4038 COc1cc(ccc1O)CC(=O)C(C)C 1458a_100000032101_100000210206 [0,2,0,0,0,0|1,0,1]=4 2793 B15R1.4038 COc1cc(ccc1O)NC(=O)C(C)C 22a_100000726020_100000210198 [0,2,0,0,0,0|2,0,0]=4 2794 B15R1.4038 COc1cc(ccc1O)NC(=O)C(C)C 527a_100000726020_100000210198 [0,2,0,0,0,0|2,0,0]=4 2795 B15R1.4038 COc1cc(ccc1O)NC(=O)C(C)F 22a_100000726020_100000062450 [0,2,0,0,0,0|2,0,0]=4 2796 B15R1.4038 COc1cc(ccc1O)NC(=O)C(C)F 527a_100000726020_100000062450 [0,2,0,0,0,0|2,0,0]=4 2797 B15R1.4038 COc1cc(ccc1O)NC(=O)C(F)F 22a_100000726020_100000210393 [0,2,0,0,0,0|2,0,0]=4 2798 B15R1.4038 COc1cc(ccc1O)NC(=O)C(F)F 527a_100000726020_100000210393 [0,2,0,0,0,0|2,0,0]=4 2799 B15R1.4038 COc1cc(ccc1O)NC(=O)C(O)O 22a_100000726020_100000233687 [0,2,0,0,0,0|1,0,0]=3 2800 B15R1.4038 COc1cc(ccc1O)NC(=O)[C@@H](C)O 22a_100000726020_100000717761 [0,2,0,0,0,0|1,0,0]=3 2801 B15R1.4038 COc1cc(ccc1O)NC(=O)[C@H](C)O 22a_100000726020_217856618621 [0,2,0,0,0,0|1,0,0]=3 2802 B15R1.4039 C=CC(O)CNc1ccc(c(c1)OC)O 34a_100000726020_100000730141 [0,2,0,0,0,0|1,0,1]=4 2803 B15R1.4039 C=CC(O)CSc1ccc(c(c1)OC)O 62a_100000730141_100000694246 [0,2,0,0,0,0|1,0,1]=4 2804 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)Br 1458a_100016267305_100000210202 [0,2,0,0,0,0|2,0,0]=4 2805 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)C 6a_100000719150_100000211110 [0,2,0,0,0,0|2,0,0]=4 2806 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)Cl 6a_100011998524_100000211110 [0,2,0,0,0,0|2,0,0]=4 2807 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)F 6a_100000692873_100000211110 [0,2,0,0,0,0|2,0,0]=4 2808 B15R1.4039 CCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000210202 [0,2,0,0,0,0|1,0,0]=3 2809 B15R1.4039 CCC(=O)CCc1ccc(c(c1)OC)O 1458a_100000210414_100010741665 [0,2,0,0,0,0|1,0,1]=4 2810 B15R1.4039 CCC(=O)CCc1ccc(c(c1)OC)O 1458a_100011216321_100000210202 [0,2,0,0,0,0|1,0,1]=4 2811 B15R1.4039 CCC(=O)CSc1ccc(c(c1)OC)O 62a_100000747405_100000694246 [0,2,0,0,0,0|1,0,1]=4 2812 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)O 11a_100000185554_100000210414 [0,2,0,0,0,0|1,0,1]=4 2813 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)O 240690a_100000185554_100000210414 [0,2,0,0,0,0|1,0,1]=4 2814 B15R1.4039 CCC(=O)NCc1ccc(c(c1)OC)O 527a_100000185554_100000210414 [0,2,0,0,0,0|1,0,1]=4 2815 B15R1.4039 CCC(O)CNc1ccc(c(c1)OC)O 34a_100000726020_100011218378 [0,2,0,0,0,0|1,0,1]=4 2816 B15R1.4039 CCC(O)CSc1ccc(c(c1)OC)O 62a_100011218378_100000694246 [0,2,0,0,0,0|1,0,1]=4 2817 B15R1.4039 COc1cc(ccc1Br)C=CC(=O)CF 1458a_100016267305_100015361967 [0,2,0,0,0,0|2,0,0]=4 2818 B15R1.4039 COc1cc(ccc1C)C=CC(=O)CBr 6a_100000719150_100009888967 [0,2,0,0,0,0|2,0,0]=4 2819 B15R1.4039 COc1cc(ccc1C)C=CC(=O)CCl 6a_100000719150_100000086384 [0,2,0,0,0,0|2,0,0]=4 2820 B15R1.4039 COc1cc(ccc1C)C=CC(=O)CF 6a_100000719150_100000764096 [0,2,0,0,0,0|2,0,0]=4 2821 B15R1.4039 COc1cc(ccc1Cl)C=CC(=O)CBr 6a_100011998524_100009888967 [0,2,0,0,0,0|2,0,0]=4 2822 B15R1.4039 COc1cc(ccc1Cl)C=CC(=O)CCl 6a_100011998524_100000086384 [0,2,0,0,0,0|2,0,0]=4 2823 B15R1.4039 COc1cc(ccc1Cl)C=CC(=O)CF 6a_100011998524_100000764096 [0,2,0,0,0,0|2,0,0]=4 2824 B15R1.4039 COc1cc(ccc1Cl)CNC(=O)CO 240690a_100015204853_100000210174 [0,2,0,0,0,0|1,0,1]=4 2825 B15R1.4039 COc1cc(ccc1Cl)CNC(=O)CO 527a_100015204853_100000210174 [0,2,0,0,0,0|1,0,1]=4 2826 B15R1.4039 COc1cc(ccc1F)C=CC(=O)CBr 6a_100000692873_100009888967 [0,2,0,0,0,0|2,0,0]=4 2827 B15R1.4039 COc1cc(ccc1F)C=CC(=O)CCl 6a_100000692873_100000086384 [0,2,0,0,0,0|2,0,0]=4 2828 B15R1.4039 COc1cc(ccc1F)C=CC(=O)CF 6a_100000692873_100000764096 [0,2,0,0,0,0|2,0,0]=4 2829 B15R1.4039 COc1cc(ccc1F)CNC(=O)CO 240690a_100020626639_100000210174 [0,2,0,0,0,0|1,0,1]=4 2830 B15R1.4039 COc1cc(ccc1F)CNC(=O)CO 527a_100020626639_100000210174 [0,2,0,0,0,0|1,0,1]=4 2831 B15R1.4039 COc1cc(ccc1F)NN=C(C)CO 4a_102515433066_100000211253 [0,2,0,0,0,0|2,0,0]=4 2832 B15R1.4039 COc1cc(ccc1F)NNC(=O)CO 22a_102515433066_100000210174 [0,2,0,0,0,0|2,0,0]=4 2833 B15R1.4039 COc1cc(ccc1O)C=CC(=O)CF 1458a_100000182119_100015361967 [0,2,0,0,0,0|1,0,0]=3 2834 B15R1.4039 COc1cc(ccc1O)CCC(=O)CF 1458a_100011216321_100015361967 [0,2,0,0,0,0|1,0,1]=4 2835 B15R1.4039 COc1cc(ccc1O)CCC(=O)CO 1458a_100000210174_100010741665 [0,2,0,0,0,0|0,0,1]=3 2836 B15R1.4039 COc1cc(ccc1O)CNC(=O)CO 240690a_100000185554_100000210174 [0,2,0,0,0,0|0,0,1]=3 2837 B15R1.4039 COc1cc(ccc1O)CNC(=O)CO 527a_100000185554_100000210174 [0,2,0,0,0,0|0,0,1]=3 2838 B15R1.4039 COc1cc(ccc1O)CNC(C)CO 34a_100000185554_100012180447 [0,2,0,0,0,0|0,0,2]=4 2839 B15R1.4039 COc1cc(ccc1O)NCC(O)CO 34a_100000726020_100011219619 [0,2,0,0,0,0|0,0,2]=4 2840 B15R1.4039 COc1cc(ccc1O)NC[C@@H](C)CO 34a_100000726020_100000059175 [0,2,0,0,0,0|0,0,2]=4 2841 B15R1.4039 COc1cc(ccc1O)NC[C@@H](O)CF 34a_100000726020_100015614560 [0,2,0,0,0,0|1,0,1]=4 2842 B15R1.4039 COc1cc(ccc1O)NC[C@@H](O)CO 34a_100000726020_100009815848 [0,2,0,0,0,0|0,0,2]=4 2843 B15R1.4039 COc1cc(ccc1O)SCC(O)CO 62a_100011219619_100000694246 [0,2,0,0,0,0|0,0,2]=4 2844 B15R1.4039 COc1cc(ccc1O)SC[C@@H](C)CO 62a_100000059175_100000694246 [0,2,0,0,0,0|0,0,2]=4 2845 B15R1.4039 COc1cc(ccc1O)SC[C@@H](O)CF 62a_100015614560_100000694246 [0,2,0,0,0,0|1,0,1]=4 2846 B15R1.4039 COc1cc(ccc1O)SC[C@@H](O)CO 62a_100009815848_100000694246 [0,2,0,0,0,0|0,0,2]=4 2847 B15R1.5194 COc1c(ccc(c1F)C=CC(C)C)Cl 271570a_100016257149_200135222481 [0,2,0,0,0,0|2,0,0]=4 2848 B15R1.5194 COc1c(ccc(c1F)C=CC(C)C)N 271570a_100016257149_100010734149 [0,2,0,0,0,0|2,0,0]=4 2849 B15R1.5194 COc1c(ccc(c1F)C=CC(C)O)Cl 271570a_200011019289_200135222481 [0,2,0,0,0,0|1,0,0]=3 2850 B15R1.5194 COc1c(ccc(c1F)C=CC(C)O)N 271570a_200011019289_100010734149 [0,2,0,0,0,0|1,0,0]=3 2851 B15R1.5194 CSc1c(ccc(c1F)C=CC(C)O)F 271570a_200011019289_202125771753 [0,2,0,0,0,0|1,1,0]=4 2852 B15R1.12854 CC(O)C=Cc1ccc(c(c1)CO)CO 271570a_200011019289_100000719600 [0,2,0,0,0,0|2,0,0]=4 2853 B15R1.12854 CCc1cc(ccc1C=O)C=CC(C)O 271570a_200011019289_100010209654 [0,2,0,0,0,0|1,0,1]=4 2854 B15R1.12854 CCc1cc(ccc1NN)C=CC(C)O 271570a_200011019289_100000700371 [0,2,0,0,0,0|2,0,0]=4 2855 B15R1.12854 CCc1cc(ccc1OC)C=CC(C)C 271570a_100016257149_200010179862 [0,2,0,0,0,0|2,0,0]=4 2856 B15R1.12854 CCc1cc(ccc1OC)C=CC(C)O 271570a_200011019289_200010179862 [0,2,0,0,0,0|1,0,0]=3 2857 B15R1.12854 CCc1ccc(cc1OC)C=CC(C)C 271570a_100016257149_200010710398 [0,2,0,0,0,0|2,0,0]=4 2858 B15R1.12854 CCc1ccc(cc1OC)C=CC(C)O 271570a_200011019289_200010710398 [0,2,0,0,0,0|1,0,0]=3 2859 B15R1.12854 CNc1cc(ccc1C#N)C=CC(C)O 271570a_200011019289_200012356631 [0,2,0,0,0,0|2,0,0]=4 2860 B15R1.12854 COc1cc(ccc1C#N)C=CC(C)C 271570a_100016257149_100000694671 [0,2,0,0,0,0|2,0,0]=4 2861 B15R1.12854 COc1cc(ccc1C#N)C=CC(C)O 271570a_200011019289_100000694671 [0,2,0,0,0,0|1,0,0]=3 2862 B15R1.12854 COc1cc(ccc1C=O)C=CC(C)C 271570a_100016257149_100000697075 [0,2,0,0,0,0|1,0,1]=4 2863 B15R1.12854 COc1cc(ccc1C=O)C=CC(C)O 271570a_200011019289_100000697075 [0,2,0,0,0,0|0,0,1]=3 2864 B15R1.12854 COc1cc(ccc1CO)C=CC(C)C 271570a_100016257149_100011277633 [0,2,0,0,0,0|1,0,0]=3 2865 B15R1.12854 COc1cc(ccc1CO)C=CC(C)O 271570a_200011019289_100011277633 [0,2,0,0,0,0|0,0,0]=2 2866 B15R1.12854 COc1cc(ccc1CO)NCC(C)O 34a_100012183141_100011218427 [0,2,0,0,0,0|1,0,1]=4 2867 B15R1.12854 COc1cc(ccc1CO)NC[C@@H](C)O 34a_100012183141_100009817552 [0,2,0,0,0,0|1,0,1]=4 2868 B15R1.12854 COc1cc(ccc1CO)OCC(C)O 34a_200000116926_100011218427 [0,2,0,0,0,0|1,0,1]=4 2869 B15R1.12854 COc1cc(ccc1CO)OC[C@@H](C)O 34a_200000116926_100009817552 [0,2,0,0,0,0|1,0,1]=4 2870 B15R1.12854 COc1cc(ccc1CO)SCC(C)O 62a_100011218427_100011277633 [0,2,0,0,0,0|1,0,1]=4 2871 B15R1.12854 COc1cc(ccc1CO)SCC(C)O 62a_100011277633_100011218427 [0,2,0,0,0,0|1,0,1]=4 2872 B15R1.12854 COc1cc(ccc1CO)SC[C@@H](C)O 62a_100009817552_100011277633 [0,2,0,0,0,0|1,0,1]=4 2873 B15R1.12854 COc1cc(ccc1CO)SC[C@@H](C)O 62a_100011277633_100009817552 [0,2,0,0,0,0|1,0,1]=4 2874 B15R1.12854 COc1cc(ccc1O[13CH3])/C=C/C(=O)C 34a_100102526088_200025704644 [0,2,0,0,0,0|0,0,2]=4 2875 B15R1.12854 COc1cc(ccc1O[13CH3])C=C[N+](=O)[O-] 34a_200103042931_200025704644 [0,2,0,0,0,0|1,0,1]=4 2876 B15R1.12854 COc1cc(ccc1SC)C=CC(C)C 271570a_100016257149_200011001119 [0,2,0,0,0,0|1,1,0]=4 2877 B15R1.12854 COc1cc(ccc1SC)C=CC(C)O 271570a_200011019289_200011001119 [0,2,0,0,0,0|0,1,0]=3 2878 B15R1.12854 COc1cc(cnc1C#N)C=CC(C)O 271570a_200011019289_100000719880 [0,2,0,0,0,0|2,0,0]=4 2879 B15R1.12854 COc1cc(cnc1C=O)C=CC(C)O 271570a_200011019289_100010246152 [0,2,0,0,0,0|1,0,1]=4 2880 B15R1.12854 COc1cc(cnc1CO)C=CC(C)C 271570a_100016257149_200010246159 [0,2,0,0,0,0|2,0,0]=4 2881 B15R1.12854 COc1cc(cnc1CO)C=CC(C)O 271570a_200011019289_200010246159 [0,2,0,0,0,0|1,0,0]=3 2882 B15R1.12854 COc1cc(cnc1OC)C=CC(C)C 271570a_100016257149_100010234541 [0,2,0,0,0,0|2,0,0]=4 2883 B15R1.12854 COc1cc(cnc1OC)C=CC(C)O 271570a_200011019289_100010234541 [0,2,0,0,0,0|1,0,0]=3 2884 B15R1.12854 COc1cc(ncc1C#N)C=CC(C)O 271570a_200011019289_100009830018 [0,2,0,0,0,0|2,0,0]=4 2885 B15R1.12854 COc1cc(ncc1CO)C=CC(C)C 271570a_100016257149_100010714672 [0,2,0,0,0,0|2,0,0]=4 2886 B15R1.12854 COc1cc(ncc1CO)C=CC(C)O 271570a_200011019289_100010714672 [0,2,0,0,0,0|1,0,0]=3 2887 B15R1.12854 COc1cc(nnc1OC)C=CC(C)O 271570a_200011019289_200000095610 [0,2,0,0,0,0|2,0,0]=4 2888 B15R1.12854 COc1ccc(cc1C#N)C=CC(C)O 271570a_200011019289_100000188252 [0,2,0,0,0,0|2,0,0]=4 2889 B15R1.12854 COc1ccc(cc1C=O)C=CC(C)O 271570a_200011019289_100000170026 [0,2,0,0,0,0|2,0,0]=4 2890 B15R1.12854 COc1ccc(cc1CN)C=CC(C)O 271570a_200011019289_100000690498 [0,2,0,0,0,0|2,0,0]=4 2891 B15R1.12854 COc1ccc(cc1CO)C=CC(C)O 271570a_200011019289_100000204679 [0,2,0,0,0,0|2,0,0]=4 2892 B15R1.12854 COc1ccc(cc1OC)/C=C/C(=O)C 34a_100102526088_200000210301 [0,2,0,0,0,0|0,0,2]=4 2893 B15R1.12854 COc1ccc(cc1OC)/C=C/[N+](=O)[O-] 34a_100016278493_200000210301 [0,2,0,0,0,0|1,0,1]=4 2894 B15R1.12854 COc1ccc(cc1OC)C=CC(=O)C 1458a_100015194992_200000210301 [0,2,0,0,0,0|0,0,2]=4 2895 B15R1.12854 COc1ccc(cc1OC)C=CC(=O)[13CH3] 1458a_100015194992_200025704644 [0,2,0,0,0,0|0,0,2]=4 2896 B15R1.12854 COc1ccc(cc1OC)C=CC(C)C 271570a_100016257149_100000187503 [0,2,0,0,0,0|1,0,0]=3 2897 B15R1.12854 COc1ccc(cc1OC)C=CC(C)O 271570a_200011019289_100000187503 [0,2,0,0,0,0|0,0,0]=2 2898 B15R1.12854 COc1ccc(cc1OC)C=C[N+](=O)[O-] 34a_200103042931_200000210301 [0,2,0,0,0,0|1,0,1]=4 2899 B15R1.12854 COc1ccc(cc1OC)NCC(C)O 34a_100000187404_100011218427 [0,2,0,0,0,0|1,0,1]=4 2900 B15R1.12854 COc1ccc(cc1OC)NC[C@@H](C)O 34a_100000187404_100009817552 [0,2,0,0,0,0|1,0,1]=4 2901 B15R1.12854 COc1ccc(cc1OC)OCC(C)O 34a_100000039706_100011218427 [0,2,0,0,0,0|1,0,1]=4 2902 B15R1.12854 COc1ccc(cc1OC)OC[C@@H](C)O 34a_100000039706_100009817552 [0,2,0,0,0,0|1,0,1]=4 2903 B15R1.12854 COc1ccc(cc1OC)SCC(C)O 62a_100011218427_100011356967 [0,2,0,0,0,0|1,0,1]=4 2904 B15R1.12854 COc1ccc(cc1OC)SC[C@@H](C)O 62a_100009817552_100011356967 [0,2,0,0,0,0|1,0,1]=4 2905 B15R1.12854 COc1ccc(cc1O[13CH3])/C=C/[N+](=O)[O-] 34a_100016278493_200025704644 [0,2,0,0,0,0|1,0,1]=4 2906 B15R1.12854 COc1ccc(cc1SC)C=CC(C)C 271570a_100016257149_200009892704 [0,2,0,0,0,0|1,1,0]=4 2907 B15R1.12854 COc1ccc(cc1SC)C=CC(C)O 271570a_200011019289_200009892704 [0,2,0,0,0,0|0,1,0]=3 2908 B15R1.12854 COc1ccc(nc1OC)C=CC(C)C 271570a_100016257149_100010214848 [0,2,0,0,0,0|2,0,0]=4 2909 B15R1.12854 COc1ccc(nc1OC)C=CC(C)O 271570a_200011019289_100010214848 [0,2,0,0,0,0|1,0,0]=3 2910 B15R1.12854 COc1cnc(nc1OC)C=CC(C)O 271570a_200011019289_100010280452 [0,2,0,0,0,0|2,0,0]=4 2911 B15R1.12854 COc1nc(ccc1C#N)C=CC(C)O 271570a_200011019289_100000708423 [0,2,0,0,0,0|2,0,0]=4 2912 B15R1.12854 COc1nc(ccc1C=O)C=CC(C)O 271570a_200011019289_100009864722 [0,2,0,0,0,0|1,0,1]=4 2913 B15R1.12854 COc1nc(ccc1CN)C=CC(C)O 271570a_200011019289_100015687481 [0,2,0,0,0,0|2,0,0]=4 2914 B15R1.12854 COc1nc(ccc1CO)C=CC(C)C 271570a_100016257149_100010988397 [0,2,0,0,0,0|2,0,0]=4 2915 B15R1.12854 COc1nc(ccc1CO)C=CC(C)O 271570a_200011019289_100010988397 [0,2,0,0,0,0|1,0,0]=3 2916 B15R1.12854 COc1nc(ncc1CO)C=CC(C)O 271570a_200011019289_200011024631 [0,2,0,0,0,0|2,0,0]=4 2917 B15R1.12854 COc1ncc(nc1OC)C=CC(C)O 271570a_200011019289_100010132954 [0,2,0,0,0,0|2,0,0]=4 2918 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000210303 [0,2,0,0,0,0|1,0,1]=4 2919 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)OC 34a_200010659475_200000210301 [0,2,0,0,0,0|1,0,1]=4 2920 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)OC 7a_200010659475_200000210301 [0,2,0,0,0,0|1,0,1]=4 2921 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_200010659475_200025704644 [0,2,0,0,0,0|1,0,1]=4 2922 B15R1.815 CCCC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_200010659475_200025704644 [0,2,0,0,0,0|1,0,1]=4 2923 B15R1.815 CCNC(=O)c1ccc(c(c1)OC)OC 11a_100015525214_100000211223 [0,2,0,0,0,0|2,0,0]=4 2924 B15R1.815 CCNC(=O)c1ccc(c(c1)OC)OC 240690a_100015525214_100000211223 [0,2,0,0,0,0|2,0,0]=4 2925 B15R1.815 CCNC(=O)c1ccc(c(c1)OC)OC 527a_100015525214_100000211223 [0,2,0,0,0,0|2,0,0]=4 2926 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)OC 7a_100000038551_200000210301 [0,2,0,0,0,0|2,0,0]=4 2927 B15R1.815 CCOC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000038551_200025704644 [0,2,0,0,0,0|2,0,0]=4 2928 B15R1.815 COc1cc(ccc1C#N)C(=O)CCO 1458a_100009879710_100000211926 [0,2,0,0,0,0|1,0,1]=4 2929 B15R1.815 COc1ccc(cc1OC)C(=O)CCF 1458a_100000211223_100011217306 [0,2,0,0,0,0|1,0,1]=4 2930 B15R1.815 COc1ccc(cc1OC)C(=O)CCO 1458a_100000211223_100000211926 [0,2,0,0,0,0|0,0,1]=3 2931 B15R1.1243 C#CCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000753159 [0,2,0,0,0,0|1,0,1]=4 2932 B15R1.1243 C#CCNC(=O)c1ccc(c(c1)OC)O 240690a_100000212058_100000687070 [0,2,0,0,0,0|2,0,0]=4 2933 B15R1.1243 C/C=C/CC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100102629194 [0,2,0,0,0,0|1,0,1]=4 2934 B15R1.1243 C=CCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000754431 [0,2,0,0,0,0|1,0,1]=4 2935 B15R1.1243 C=CCNC(=O)c1ccc(c(c1)OC)O 240690a_100020586998_100000687070 [0,2,0,0,0,0|2,0,0]=4 2936 B15R1.1243 CC=CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000070051 [0,2,0,0,0,0|1,0,1]=4 2937 B15R1.1243 CCCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210211 [0,2,0,0,0,0|1,0,1]=4 2938 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)O 240690a_100020643023_100000687070 [0,2,0,0,0,0|1,0,1]=4 2939 B15R1.1243 CCCNC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_200010239580 [0,2,0,0,0,0|1,0,1]=4 2940 B15R1.1243 CCNN=C(C)c1ccc(c(c1)OC)O 4a_100000756455_100000186468 [0,2,0,0,0,0|2,0,0]=4 2941 B15R1.1243 CCNNC(=O)c1ccc(c(c1)OC)O 22a_100000756455_100000687070 [0,2,0,0,0,0|2,0,0]=4 2942 B15R1.1243 CCSCC(=O)c1ccc(c(c1)OC)O 62a_100010206313_100000210202 [0,2,0,0,0,0|1,0,1]=4 2943 B15R1.1243 COCCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000233755 [0,2,0,0,0,0|1,0,1]=4 2944 B15R1.1243 COCCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000233755 [0,2,0,0,0,0|1,0,1]=4 2945 B15R1.1243 COCCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000233755 [0,2,0,0,0,0|1,0,1]=4 2946 B15R1.1243 COCCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000233755 [0,2,0,0,0,0|1,0,1]=4 2947 B15R1.1243 COCCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000233755 [0,2,0,0,0,0|1,0,1]=4 2948 B15R1.1243 COCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000233755 [0,2,0,0,0,0|0,0,1]=3 2949 B15R1.1243 COc1cc(ccc1Br)C(=O)CCCO 1458a_100011934951_100011215043 [0,2,0,0,0,0|1,0,1]=4 2950 B15R1.1243 COc1cc(ccc1Br)C(=O)NCCO 240690a_100000210304_100011934951 [0,2,0,0,0,0|1,0,1]=4 2951 B15R1.1243 COc1cc(ccc1Br)C(=O)NCCO 527a_100000210304_100011934951 [0,2,0,0,0,0|1,0,1]=4 2952 B15R1.1243 COc1cc(ccc1C)C(=O)CCCO 1458a_100000212341_100011215043 [0,2,0,0,0,0|1,0,1]=4 2953 B15R1.1243 COc1cc(ccc1C)C(=O)NCCO 240690a_100000210304_100000212341 [0,2,0,0,0,0|1,0,1]=4 2954 B15R1.1243 COc1cc(ccc1C)C(=O)NCCO 527a_100000210304_100000212341 [0,2,0,0,0,0|1,0,1]=4 2955 B15R1.1243 COc1cc(ccc1Cl)C(=O)CCCO 1458a_100000181799_100011215043 [0,2,0,0,0,0|1,0,1]=4 2956 B15R1.1243 COc1cc(ccc1Cl)C(=O)NCCO 240690a_100000210304_100000181799 [0,2,0,0,0,0|1,0,1]=4 2957 B15R1.1243 COc1cc(ccc1Cl)C(=O)NCCO 527a_100000210304_100000181799 [0,2,0,0,0,0|1,0,1]=4 2958 B15R1.1243 COc1cc(ccc1F)C(=O)CCCO 1458a_100000757635_100011215043 [0,2,0,0,0,0|1,0,1]=4 2959 B15R1.1243 COc1cc(ccc1F)C(=O)NCCO 240690a_100000210304_100000757635 [0,2,0,0,0,0|1,0,1]=4 2960 B15R1.1243 COc1cc(ccc1F)C(=O)NCCO 527a_100000210304_100000757635 [0,2,0,0,0,0|1,0,1]=4 2961 B15R1.1243 COc1cc(ccc1I)C(=O)CCCO 1458a_100012356290_100011215043 [0,2,0,0,0,0|1,0,1]=4 2962 B15R1.1243 COc1cc(ccc1I)C(=O)NCCO 240690a_100000210304_100012356290 [0,2,0,0,0,0|1,0,1]=4 2963 B15R1.1243 COc1cc(ccc1I)C(=O)NCCO 527a_100000210304_100012356290 [0,2,0,0,0,0|1,0,1]=4 2964 B15R1.1243 COc1cc(ccc1O)C(=O)CCC#N 1458a_100000687070_100011215226 [0,2,0,0,0,0|1,0,1]=4 2965 B15R1.1243 COc1cc(ccc1O)C(=O)CCCF 1458a_100000687070_100011934791 [0,2,0,0,0,0|1,0,1]=4 2966 B15R1.1243 COc1cc(ccc1O)C(=O)CCCO 1458a_100000687070_100011215043 [0,2,0,0,0,0|0,0,1]=3 2967 B15R1.1243 COc1cc(ccc1O)C(=O)CCSC 1458a_100000687070_100000751147 [0,2,0,0,0,0|0,1,1]=4 2968 B15R1.1243 COc1cc(ccc1O)C(=O)CSCF 62a_100010206313_100015361967 [0,2,0,0,0,0|1,0,1]=4 2969 B15R1.1243 COc1cc(ccc1O)C(=O)NCCF 240690a_100000724931_100000687070 [0,2,0,0,0,0|1,0,1]=4 2970 B15R1.1243 COc1cc(ccc1O)C(=O)NCCO 240690a_100000210304_100000687070 [0,2,0,0,0,0|0,0,1]=3 2971 B15R1.4029 CCC(=O)C(O)c1ccc(c(c1)OC)O 1458a_100000036414_100000210202 [0,2,0,0,0,0|1,0,1]=4 2972 B15R1.4029 CCC(C)C(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000758301 [0,2,0,0,0,0|1,0,1]=4 2973 B15R1.4029 CCN(C)C(=O)c1ccc(c(c1)OC)O 240690a_100000225621_100000687070 [0,2,0,0,0,0|2,0,0]=4 2974 B15R1.4029 COc1cc(ccc1F)N(C)C(=O)CO 22a_200012002703_100000210174 [0,2,0,0,0,0|2,0,0]=4 2975 B15R1.4029 COc1cc(ccc1F)N(C)C(=O)CO 527a_200012002703_100000210174 [0,2,0,0,0,0|2,0,0]=4 2976 B15R1.4029 COc1cc(ccc1O)C(O)C(=O)CF 1458a_100000036414_100015361967 [0,2,0,0,0,0|1,0,1]=4 2977 B15R1.9230 CCCC(=O)c1ccc(c(c1)OCC)O 1458a_100011260950_100000210303 [0,2,0,0,0,0|1,0,1]=4 2978 B15R1.9230 CCNC(=O)c1ccc(c(c1)OCC)O 240690a_100015525214_100011260950 [0,2,0,0,0,0|2,0,0]=4 2979 B15R1.9230 CCOc1cc(ccc1C)C(=O)CCO 1458a_100000238212_100000211926 [0,2,0,0,0,0|1,0,1]=4 2980 B15R1.9230 CCOc1cc(ccc1Cl)C(=O)CCO 1458a_200010207389_100000211926 [0,2,0,0,0,0|1,0,1]=4 2981 B15R1.9230 CCOc1cc(ccc1O)C(=O)CCF 1458a_100011260950_100011217306 [0,2,0,0,0,0|1,0,1]=4 2982 B15R1.9230 CCOc1cc(ccc1O)C(=O)CCO 1458a_100011260950_100000211926 [0,2,0,0,0,0|0,0,1]=3 2983 B15R1.10560 COc1c(ccc(c1F)C(=O)CCO)Br 1458a_100009816242_100000211926 [0,2,0,0,0,0|1,0,1]=4 2984 B15R1.10560 COc1c(ccc(c1F)C(=O)CCO)Cl 1458a_100010116254_100000211926 [0,2,0,0,0,0|1,0,1]=4 2985 B15R1.10560 COc1c(ccc(c1F)C(=O)CCO)F 1458a_100000061937_100000211926 [0,2,0,0,0,0|1,0,1]=4 2986 B15R1.10612 COc1cc(c(cc1C)Br)C(=O)CCO 1458a_100010289115_100000211926 [0,2,0,0,0,0|1,0,1]=4 2987 B15R1.10612 COc1cc(c(cc1F)Br)C(=O)CCO 1458a_100010174800_100000211926 [0,2,0,0,0,0|1,0,1]=4 2988 B15R1.36497 CCCC(=O)c1cc(c(c(c1)OC)O)Cl 1458a_100000209947_100000210303 [0,2,0,0,0,0|1,0,1]=4 2989 B15R1.36497 CCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000210303 [0,2,0,0,0,0|1,0,1]=4 2990 B15R1.36497 CCNC(=O)c1cc(c(c(c1)OC)O)Cl 240690a_100015525214_100000209947 [0,2,0,0,0,0|2,0,0]=4 2991 B15R1.36497 COc1cc(cc(c1Cl)Br)C(=O)CCO 1458a_100020639751_100000211926 [0,2,0,0,0,0|1,0,1]=4 2992 B15R1.36497 COc1cc(cc(c1F)F)C(=O)CCO 1458a_100000081826_100000211926 [0,2,0,0,0,0|1,0,1]=4 2993 B15R1.36497 COc1cc(cc(c1O)Cl)C(=O)CCF 1458a_100000209947_100011217306 [0,2,0,0,0,0|1,0,1]=4 2994 B15R1.36497 COc1cc(cc(c1O)Cl)C(=O)CCO 1458a_100000209947_100000211926 [0,2,0,0,0,0|0,0,1]=3 2995 B15R1.36497 COc1cc(cc(c1O)O)C(=O)CCF 1458a_100000061230_100011217306 [0,2,0,0,0,0|1,0,1]=4 2996 B15R1.36497 COc1cc(cc(c1O)O)C(=O)CCO 1458a_100000061230_100000211926 [0,2,0,0,0,0|0,0,1]=3 2997 B15R1.1193 CCCC=Cc1ccc(c(c1)CNC)O 271570a_100016258520_100011602694 [0,2,0,0,0,0|2,0,0]=4 2998 B15R1.1193 CCCC=Cc1ccc(c(c1)COC)Br 271570a_100016258520_202125822959 [0,2,0,0,0,0|2,0,0]=4 2999 B15R1.1193 CCCC=Cc1ccc(c(c1)COC)F 271570a_100016258520_100010140362 [0,2,0,0,0,0|2,0,0]=4 3000 B15R1.1193 CCCC=Cc1ccc(c(c1)OCC)C 271570a_100016258520_100012361169 [0,2,0,0,0,0|2,0,0]=4 3001 B15R1.1193 CCCC=Cc1ccc(c(c1)OCC)F 271570a_100016258520_200012344967 [0,2,0,0,0,0|2,0,0]=4 3002 B15R1.1193 CCCC=Cc1ccc(c(c1)OCC)N 271570a_100016258520_100000688918 [0,2,0,0,0,0|2,0,0]=4 3003 B15R1.1193 CCNN=Cc1ccc(c(c1)OCC)O 4a_100000756455_100000188318 [0,2,0,0,0,0|2,0,0]=4 3004 B15R1.1193 CCNc1cc(ccc1N)C=CCOC 271570a_100016286323_100000696630 [0,2,0,0,0,0|2,0,0]=4 3005 B15R1.1193 CCOC=Cc1ccc(c(c1)CNC)O 271570a_100016256518_100011602694 [0,2,0,0,0,0|2,0,0]=4 3006 B15R1.1193 CCOC=Cc1ccc(c(c1)COC)Br 271570a_100016256518_202125822959 [0,2,0,0,0,0|2,0,0]=4 3007 B15R1.1193 CCOC=Cc1ccc(c(c1)COC)F 271570a_100016256518_100010140362 [0,2,0,0,0,0|2,0,0]=4 3008 B15R1.1193 CCOC=Cc1ccc(c(c1)OCC)C 271570a_100016256518_100012361169 [0,2,0,0,0,0|2,0,0]=4 3009 B15R1.1193 CCOC=Cc1ccc(c(c1)OCC)F 271570a_100016256518_200012344967 [0,2,0,0,0,0|2,0,0]=4 3010 B15R1.1193 CCOC=Cc1ccc(c(c1)OCC)N 271570a_100016256518_100000688918 [0,2,0,0,0,0|2,0,0]=4 3011 B15R1.1193 CCOc1cc(ccc1C)C=CCOC 271570a_100016286323_100012361169 [0,2,0,0,0,0|1,0,0]=3 3012 B15R1.1193 CCOc1cc(ccc1F)C=CCOC 271570a_100016286323_200012344967 [0,2,0,0,0,0|1,0,0]=3 3013 B15R1.1193 CCOc1cc(ccc1N)C=CCOC 271570a_100016286323_100000688918 [0,2,0,0,0,0|1,0,0]=3 3014 B15R1.1193 CCOc1cc(ccc1O)CNCCO 34a_200000751567_100000211926 [0,2,0,0,0,0|0,0,2]=4 3015 B15R1.1193 CCOc1cc(cnc1F)C=CCOC 271570a_100016286323_100010732568 [0,2,0,0,0,0|2,0,0]=4 3016 B15R1.1193 CCOc1cc(ncc1N)C=CCOC 271570a_100016286323_100015764953 [0,2,0,0,0,0|2,0,0]=4 3017 B15R1.1193 CNCc1cc(ccc1C)C=CCOC 271570a_100016286323_106744473289 [0,2,0,0,0,0|2,0,0]=4 3018 B15R1.1193 CNCc1cc(ccc1F)C=CCOC 271570a_100016286323_100000748472 [0,2,0,0,0,0|2,0,0]=4 3019 B15R1.1193 CNCc1cc(ccc1O)C=CCOC 271570a_100016286323_100011602694 [0,2,0,0,0,0|1,0,0]=3 3020 B15R1.1193 COCC=Cc1ccc(c(c1)COC)Br 271570a_100016286323_202125822959 [0,2,0,0,0,0|1,0,0]=3 3021 B15R1.1193 COCC=Cc1ccc(c(c1)COC)F 271570a_100016286323_100010140362 [0,2,0,0,0,0|1,0,0]=3 3022 B15R1.9222 CCOc1cc(ccc1Br)NC(=O)CO 22a_200016990551_100000210174 [0,2,0,0,0,0|2,0,0]=4 3023 B15R1.9222 CCOc1cc(ccc1Br)NC(=O)CO 527a_200016990551_100000210174 [0,2,0,0,0,0|2,0,0]=4 3024 B15R1.9222 CCOc1cc(ccc1Cl)NC(=O)CO 22a_100011964961_100000210174 [0,2,0,0,0,0|2,0,0]=4 3025 B15R1.9222 CCOc1cc(ccc1Cl)NC(=O)CO 527a_100011964961_100000210174 [0,2,0,0,0,0|2,0,0]=4 3026 B15R1.9222 CCOc1cc(ccc1O)CC(=O)CC 1458a_200000048972_100000210202 [0,2,0,0,0,0|1,0,1]=4 3027 B15R1.9222 CCOc1cc(ccc1O)CC(=O)CF 1458a_200000048972_100015361967 [0,2,0,0,0,0|1,0,1]=4 3028 B15R1.12139 CCOc1cc(ccc1OC)/C=C/CO 34a_100102524974_100000210202 [0,2,0,0,0,0|0,0,0]=2 3029 B15R1.12139 CNCc1cc(ccc1OC)/C=C/CO 26a_100102657272_100102524974 [0,2,0,0,0,0|1,0,0]=3 3030 B15R1.12139 COCc1cc(ccc1OC)SCCO 62a_100000211926_200011493686 [0,2,0,0,0,0|1,0,1]=4 3031 B15R1.12139 COCc1cc(ccc1OC)SCCO 62a_200011493686_100000211926 [0,2,0,0,0,0|1,0,1]=4 3032 B15R1.12139 COc1ccc(cc1OCF)/C=C/CO 34a_100102524974_100015361967 [0,2,0,0,0,0|0,0,0]=2 3033 B15R1.12147 COC(=O)c1cc(ccc1O)SCCO 62a_100000211926_100000149868 [0,2,0,0,0,0|1,0,1]=4 3034 B15R1.1062 COc1cc(ccc1B(O)O)SCCO 62a_100010245881_100000211926 [0,2,0,0,0,0|1,0,1]=4 3035 B15R1.1195 CCC=NNc1ccc(c(c1)OC)OC 4a_100000071703_100000210100 [0,2,0,0,0,0|2,0,0]=4 3036 B15R1.1195 CCCC=Cc1cc(c(cn1)CO)OC 271570a_100016258520_100010714672 [0,2,0,0,0,0|2,0,0]=4 3037 B15R1.1195 CCCC=Cc1ccc(c(c1)CC)OC 271570a_100016258520_200010179862 [0,2,0,0,0,0|2,0,0]=4 3038 B15R1.1195 CCCC=Cc1ccc(c(c1)OC)C#N 271570a_100016258520_100000694671 [0,2,0,0,0,0|2,0,0]=4 3039 B15R1.1195 CCCC=Cc1ccc(c(c1)OC)C=O 271570a_100016258520_100000697075 [0,2,0,0,0,0|1,0,1]=4 3040 B15R1.1195 CCCC=Cc1ccc(c(c1)OC)CC 271570a_100016258520_200010710398 [0,2,0,0,0,0|2,0,0]=4 3041 B15R1.1195 CCCC=Cc1ccc(c(c1)OC)CO 271570a_100016258520_100011277633 [0,2,0,0,0,0|1,0,0]=3 3042 B15R1.1195 CCCC=Cc1ccc(c(c1)OC)OC 271570a_100016258520_100000187503 [0,2,0,0,0,0|1,0,0]=3 3043 B15R1.1195 CCCC=Cc1ccc(c(c1)OC)SC 271570a_100016258520_200011001119 [0,2,0,0,0,0|1,1,0]=4 3044 B15R1.1195 CCCC=Cc1ccc(c(c1)SC)OC 271570a_100016258520_200009892704 [0,2,0,0,0,0|1,1,0]=4 3045 B15R1.1195 CCCC=Cc1ccc(c(n1)OC)CO 271570a_100016258520_100010988397 [0,2,0,0,0,0|2,0,0]=4 3046 B15R1.1195 CCCC=Cc1ccc(c(n1)OC)OC 271570a_100016258520_100010214848 [0,2,0,0,0,0|2,0,0]=4 3047 B15R1.1195 CCCC=Cc1cnc(c(c1)OC)CO 271570a_100016258520_200010246159 [0,2,0,0,0,0|2,0,0]=4 3048 B15R1.1195 CCCC=Cc1cnc(c(c1)OC)OC 271570a_100016258520_100010234541 [0,2,0,0,0,0|2,0,0]=4 3049 B15R1.1195 CCNN=Cc1ccc(c(c1)OC)OC 4a_100000756455_100000170513 [0,2,0,0,0,0|2,0,0]=4 3050 B15R1.1195 CCOC=Cc1cc(c(cn1)CO)OC 271570a_100016256518_100010714672 [0,2,0,0,0,0|2,0,0]=4 3051 B15R1.1195 CCOC=Cc1ccc(c(c1)CC)OC 271570a_100016256518_200010179862 [0,2,0,0,0,0|2,0,0]=4 3052 B15R1.1195 CCOC=Cc1ccc(c(c1)OC)C#N 271570a_100016256518_100000694671 [0,2,0,0,0,0|2,0,0]=4 3053 B15R1.1195 CCOC=Cc1ccc(c(c1)OC)C=O 271570a_100016256518_100000697075 [0,2,0,0,0,0|1,0,1]=4 3054 B15R1.1195 CCOC=Cc1ccc(c(c1)OC)CC 271570a_100016256518_200010710398 [0,2,0,0,0,0|2,0,0]=4 3055 B15R1.1195 CCOC=Cc1ccc(c(c1)OC)CO 271570a_100016256518_100011277633 [0,2,0,0,0,0|1,0,0]=3 3056 B15R1.1195 CCOC=Cc1ccc(c(c1)OC)OC 271570a_100016256518_100000187503 [0,2,0,0,0,0|1,0,0]=3 3057 B15R1.1195 CCOC=Cc1ccc(c(c1)OC)SC 271570a_100016256518_200011001119 [0,2,0,0,0,0|1,1,0]=4 3058 B15R1.1195 CCOC=Cc1ccc(c(c1)SC)OC 271570a_100016256518_200009892704 [0,2,0,0,0,0|1,1,0]=4 3059 B15R1.1195 CCOC=Cc1ccc(c(n1)OC)CO 271570a_100016256518_100010988397 [0,2,0,0,0,0|2,0,0]=4 3060 B15R1.1195 CCOC=Cc1ccc(c(n1)OC)OC 271570a_100016256518_100010214848 [0,2,0,0,0,0|2,0,0]=4 3061 B15R1.1195 CCOC=Cc1cnc(c(c1)OC)CO 271570a_100016256518_200010246159 [0,2,0,0,0,0|2,0,0]=4 3062 B15R1.1195 CCOC=Cc1cnc(c(c1)OC)OC 271570a_100016256518_100010234541 [0,2,0,0,0,0|2,0,0]=4 3063 B15R1.1195 CCc1cc(ccc1C=O)C=CCOC 271570a_100016286323_100010209654 [0,2,0,0,0,0|1,0,1]=4 3064 B15R1.1195 CCc1cc(ccc1NN)C=CCOC 271570a_100016286323_100000700371 [0,2,0,0,0,0|2,0,0]=4 3065 B15R1.1195 CCc1cc(ccc1OC)C=CCOC 271570a_100016286323_200010179862 [0,2,0,0,0,0|1,0,0]=3 3066 B15R1.1195 CCc1ccc(cc1OC)C=CCOC 271570a_100016286323_200010710398 [0,2,0,0,0,0|1,0,0]=3 3067 B15R1.1195 CNc1cc(ccc1C#N)C=CCOC 271570a_100016286323_200012356631 [0,2,0,0,0,0|2,0,0]=4 3068 B15R1.1195 COCC=Cc1cc(c(cn1)C#N)OC 271570a_100016286323_100009830018 [0,2,0,0,0,0|2,0,0]=4 3069 B15R1.1195 COCC=Cc1cc(c(cn1)CO)OC 271570a_100016286323_100010714672 [0,2,0,0,0,0|1,0,0]=3 3070 B15R1.1195 COCC=Cc1cc(c(nn1)OC)OC 271570a_100016286323_200000095610 [0,2,0,0,0,0|2,0,0]=4 3071 B15R1.1195 COCC=Cc1ccc(c(c1)C#N)OC 271570a_100016286323_100000188252 [0,2,0,0,0,0|2,0,0]=4 3072 B15R1.1195 COCC=Cc1ccc(c(c1)C=O)OC 271570a_100016286323_100000170026 [0,2,0,0,0,0|2,0,0]=4 3073 B15R1.1195 COCC=Cc1ccc(c(c1)CN)OC 271570a_100016286323_100000690498 [0,2,0,0,0,0|2,0,0]=4 3074 B15R1.1195 COCC=Cc1ccc(c(c1)CO)CO 271570a_100016286323_100000719600 [0,2,0,0,0,0|2,0,0]=4 3075 B15R1.1195 COCC=Cc1ccc(c(c1)CO)OC 271570a_100016286323_100000204679 [0,2,0,0,0,0|2,0,0]=4 3076 B15R1.1195 COCC=Cc1ccc(c(c1)OC)C#N 271570a_100016286323_100000694671 [0,2,0,0,0,0|1,0,0]=3 3077 B15R1.1195 COCC=Cc1ccc(c(c1)OC)C=O 271570a_100016286323_100000697075 [0,2,0,0,0,0|0,0,1]=3 3078 B15R1.1195 COCC=Cc1ccc(c(c1)OC)CO 271570a_100016286323_100011277633 [0,2,0,0,0,0|0,0,0]=2 3079 B15R1.1195 COCC=Cc1ccc(c(c1)OC)OC 271570a_100016286323_100000187503 [0,2,0,0,0,0|0,0,0]=2 3080 B15R1.1195 COCC=Cc1ccc(c(c1)OC)SC 271570a_100016286323_200011001119 [0,2,0,0,0,0|0,1,0]=3 3081 B15R1.1195 COCC=Cc1ccc(c(c1)SC)OC 271570a_100016286323_200009892704 [0,2,0,0,0,0|0,1,0]=3 3082 B15R1.1195 COCC=Cc1ccc(c(n1)OC)C#N 271570a_100016286323_100000708423 [0,2,0,0,0,0|2,0,0]=4 3083 B15R1.1195 COCC=Cc1ccc(c(n1)OC)C=O 271570a_100016286323_100009864722 [0,2,0,0,0,0|1,0,1]=4 3084 B15R1.1195 COCC=Cc1ccc(c(n1)OC)CN 271570a_100016286323_100015687481 [0,2,0,0,0,0|2,0,0]=4 3085 B15R1.1195 COCC=Cc1ccc(c(n1)OC)CO 271570a_100016286323_100010988397 [0,2,0,0,0,0|1,0,0]=3 3086 B15R1.1195 COCC=Cc1ccc(c(n1)OC)OC 271570a_100016286323_100010214848 [0,2,0,0,0,0|1,0,0]=3 3087 B15R1.1195 COCC=Cc1cnc(c(c1)OC)C#N 271570a_100016286323_100000719880 [0,2,0,0,0,0|2,0,0]=4 3088 B15R1.1195 COCC=Cc1cnc(c(c1)OC)C=O 271570a_100016286323_100010246152 [0,2,0,0,0,0|1,0,1]=4 3089 B15R1.1195 COCC=Cc1cnc(c(c1)OC)CO 271570a_100016286323_200010246159 [0,2,0,0,0,0|1,0,0]=3 3090 B15R1.1195 COCC=Cc1cnc(c(c1)OC)OC 271570a_100016286323_100010234541 [0,2,0,0,0,0|1,0,0]=3 3091 B15R1.1195 COCC=Cc1cnc(c(n1)OC)OC 271570a_100016286323_100010132954 [0,2,0,0,0,0|2,0,0]=4 3092 B15R1.1195 COCC=Cc1ncc(c(n1)OC)CO 271570a_100016286323_200011024631 [0,2,0,0,0,0|2,0,0]=4 3093 B15R1.1195 COCC=Cc1ncc(c(n1)OC)OC 271570a_100016286323_100010280452 [0,2,0,0,0,0|2,0,0]=4 3094 B15R1.1195 COCCCc1ccc(c(c1)OC)OC 34a_100011219617_200000210301 [0,2,0,0,0,0|0,0,2]=4 3095 B15R1.1195 COCCCc1ccc(c(c1)OC)OC 34a_100138415774_200012094798 [0,2,0,0,0,0|0,0,2]=4 3096 B15R1.1195 COCCCc1ccc(c(c1)OC)OC 7a_100011219617_200000210301 [0,2,0,0,0,0|0,0,2]=4 3097 B15R1.1195 COCCNc1ccc(c(c1)OC)CO 34a_100012183141_100011201679 [0,2,0,0,0,0|1,0,1]=4 3098 B15R1.1195 COCCNc1ccc(c(c1)OC)OC 34a_100000187404_100011201679 [0,2,0,0,0,0|1,0,1]=4 3099 B15R1.1195 COCCOc1ccc(c(c1)OC)CO 34a_200000116926_100011201679 [0,2,0,0,0,0|1,0,1]=4 3100 B15R1.1195 COCCOc1ccc(c(c1)OC)OC 34a_100000039706_100011201679 [0,2,0,0,0,0|1,0,1]=4 3101 B15R1.1195 COCCSc1ccc(c(c1)OC)CO 62a_100000233755_100011277633 [0,2,0,0,0,0|1,0,1]=4 3102 B15R1.1195 COCCSc1ccc(c(c1)OC)CO 62a_100011277633_100000233755 [0,2,0,0,0,0|1,0,1]=4 3103 B15R1.1195 COCCSc1ccc(c(c1)OC)OC 62a_100000233755_100011356967 [0,2,0,0,0,0|1,0,1]=4 3104 B15R1.1195 COCSCc1ccc(c(c1)OC)OC 62a_100000766300_100011233839 [0,2,0,0,0,0|1,0,1]=4 3105 B15R1.1195 COc1cc(ccc1CO)NCCCO 34a_100012183141_100000230001 [0,2,0,0,0,0|0,0,2]=4 3106 B15R1.1195 COc1cc(ccc1CO)OCCCO 34a_200000116926_100000230001 [0,2,0,0,0,0|0,0,2]=4 3107 B15R1.1195 COc1cc(ccc1CO)SCCCO 62a_100011215043_100011277633 [0,2,0,0,0,0|0,0,2]=4 3108 B15R1.1195 COc1cc(ccc1CO)SCCCO 62a_100011277633_100011215043 [0,2,0,0,0,0|0,0,2]=4 3109 B15R1.1195 COc1ccc(cc1OC)CCCO[13CH3] 34a_100011219617_200025704644 [0,2,0,0,0,0|0,0,2]=4 3110 B15R1.1195 COc1ccc(cc1OC)CCCO[13CH3] 7a_100011219617_200025704644 [0,2,0,0,0,0|0,0,2]=4 3111 B15R1.1195 COc1ccc(cc1OC)CNCCO 207a_100000210304_100000170513 [0,2,0,0,0,0|0,0,2]=4 3112 B15R1.1195 COc1ccc(cc1OC)CNCCO 2230a_100016997473_100011233839 [0,2,0,0,0,0|0,0,2]=4 3113 B15R1.1195 COc1ccc(cc1OC)CNCCO 270004a_100000210304_100000170513 [0,2,0,0,0,0|0,0,2]=4 3114 B15R1.1195 COc1ccc(cc1OC)CNCCO 34a_100000185555_100000211926 [0,2,0,0,0,0|0,0,2]=4 3115 B15R1.1195 COc1ccc(cc1OC)COCCO 34a_100000210929_100000211926 [0,2,0,0,0,0|0,0,2]=4 3116 B15R1.1195 COc1ccc(cc1OC)CSCCO 62a_100000211926_100011233839 [0,2,0,0,0,0|0,0,2]=4 3117 B15R1.1195 COc1ccc(cc1OC)NCCCO 34a_100000187404_100000230001 [0,2,0,0,0,0|0,0,2]=4 3118 B15R1.1195 COc1ccc(cc1OC)OCCCO 34a_100000039706_100000230001 [0,2,0,0,0,0|0,0,2]=4 3119 B15R1.1195 COc1ccc(cc1OC)SCCCO 62a_100011215043_100011356967 [0,2,0,0,0,0|0,0,2]=4 3120 B15R1.3769 CCC(=O)Cc1ccc(c(c1)OC)OC 1458a_100000184093_100000210202 [0,2,0,0,0,0|1,0,1]=4 3121 B15R1.3769 CCC(=O)Nc1ccc(c(c1)OC)CO 22a_100012183141_100000210414 [0,2,0,0,0,0|2,0,0]=4 3122 B15R1.3769 CCC(=O)Nc1ccc(c(c1)OC)OC 11a_100000187404_100000210414 [0,2,0,0,0,0|2,0,0]=4 3123 B15R1.3769 CCC(=O)Nc1ccc(c(c1)OC)OC 1626a_100000187404_100000210414 [0,2,0,0,0,0|2,0,0]=4 3124 B15R1.3769 CCC(=O)Nc1ccc(c(c1)OC)OC 22a_100000187404_100000210414 [0,2,0,0,0,0|2,0,0]=4 3125 B15R1.3769 CCC(=O)Nc1ccc(c(c1)OC)OC 527a_100000187404_100000210414 [0,2,0,0,0,0|2,0,0]=4 3126 B15R1.3769 COc1cc(ccc1C#N)NC(=O)CO 527a_100011999456_100000210174 [0,2,0,0,0,0|2,0,0]=4 3127 B15R1.3769 COc1cc(ccc1CO)NC(=O)CO 22a_100012183141_100000210174 [0,2,0,0,0,0|1,0,0]=3 3128 B15R1.3769 COc1cc(ccc1CO)NC(C)CO 34a_100012183141_100012180447 [0,2,0,0,0,0|1,0,1]=4 3129 B15R1.3769 COc1cc(ccc1CO)OC(C)CO 34a_200000116926_100012180447 [0,2,0,0,0,0|1,0,1]=4 3130 B15R1.3769 COc1cc(ccc1CO)SC(C)CO 62a_100012180447_100011277633 [0,2,0,0,0,0|1,0,1]=4 3131 B15R1.3769 COc1cc(ccc1CO)S[C@H](C)CO 62a_100011277633_100016084084 [0,2,0,0,0,0|1,0,1]=4 3132 B15R1.3769 COc1cc(ccc1CO)S[C@H](C)CO 62a_100016084084_100011277633 [0,2,0,0,0,0|1,0,1]=4 3133 B15R1.3769 COc1ccc(cc1OC)CC(=O)CF 1458a_100000184093_100015361967 [0,2,0,0,0,0|1,0,1]=4 3134 B15R1.3769 COc1ccc(cc1OC)NC(=O)CO 22a_100000187404_100000210174 [0,2,0,0,0,0|1,0,0]=3 3135 B15R1.3769 COc1ccc(cc1OC)NC(=O)CO 527a_100000187404_100000210174 [0,2,0,0,0,0|1,0,0]=3 3136 B15R1.3769 COc1ccc(cc1OC)NC(C)CO 34a_100000187404_100012180447 [0,2,0,0,0,0|1,0,1]=4 3137 B15R1.3769 COc1ccc(cc1OC)OC(C)CO 34a_100000039706_100012180447 [0,2,0,0,0,0|1,0,1]=4 3138 B15R1.3769 COc1ccc(cc1OC)SC(C)CO 62a_100012180447_100011356967 [0,2,0,0,0,0|1,0,1]=4 3139 B15R1.3769 COc1ccc(cc1OC)S[C@H](C)CO 62a_100016084084_100011356967 [0,2,0,0,0,0|1,0,1]=4 3140 B15R1.12140 CCOc1ccc(cc1OC)/C=C\CO 34a_100016294963_100000210202 [0,2,0,0,0,0|0,0,0]=2 3141 B15R1.12140 CCOc1ccc(cc1OC)CCCO 34a_100000060467_100000210202 [0,2,0,0,0,0|0,0,2]=4 3142 B15R1.12140 CCOc1ccc(cc1OC)CCCO 7a_100000060467_100000210202 [0,2,0,0,0,0|0,0,2]=4 3143 B15R1.12140 CCOc1ccc(cc1OC)NCCO 2230a_100000184985_100000211926 [0,2,0,0,0,0|1,0,1]=4 3144 B15R1.12140 CCOc1ccc(cc1OC)NCCO 34a_100000184985_100000211926 [0,2,0,0,0,0|1,0,1]=4 3145 B15R1.12140 CNCc1ccc(cc1OC)/C=C\CO 26a_100102657272_100016294963 [0,2,0,0,0,0|1,0,0]=3 3146 B15R1.12140 COc1cc(ccc1OCF)/C=C\CO 34a_100016294963_100015361967 [0,2,0,0,0,0|0,0,0]=2 3147 B15R1.12140 COc1cc(ccc1OCF)CCCO 34a_100000060467_100015361967 [0,2,0,0,0,0|0,0,2]=4 3148 B15R1.12140 COc1cc(ccc1OCF)CCCO 7a_100000060467_100015361967 [0,2,0,0,0,0|0,0,2]=4 3149 B15R1.23243 COc1ccc(c(c1OC)C)SCCO 62a_100000211926_100010000156 [0,2,0,0,0,0|1,0,1]=4 3150 B15R1.38111 COc1cc(c(cc1OC)NCCO)C 34a_100000183460_100000211926 [0,2,0,0,0,0|1,0,1]=4 3151 B15R1.38111 COc1cc(c(cc1OC)NCCO)F 34a_100000753170_100000211926 [0,2,0,0,0,0|1,0,1]=4 3152 B15R1.38111 COc1cc(c(cc1OC)SCCO)F 62a_200011765842_100000211926 [0,2,0,0,0,0|1,0,1]=4 3153 B15R1.1196 CCCC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016258520_100000212127 [0,2,0,0,0,0|2,0,0]=4 3154 B15R1.1196 CCCC=Cc1ccc(c(c1)C(C)C)O 271570a_100016258520_100000691460 [0,2,0,0,0,0|2,0,0]=4 3155 B15R1.1196 CCOC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016256518_100000212127 [0,2,0,0,0,0|2,0,0]=4 3156 B15R1.1196 CCOC=Cc1ccc(c(c1)C(C)C)O 271570a_100016256518_100000691460 [0,2,0,0,0,0|2,0,0]=4 3157 B15R1.1196 COCC=Cc1ccc(c(c1)B(O)O)O 271570a_100016286323_200009814749 [0,2,0,0,0,0|2,0,0]=4 3158 B15R1.1196 COCC=Cc1ccc(c(c1)C(=O)C)C 271570a_100016286323_100012706819 [0,2,0,0,0,0|2,0,0]=4 3159 B15R1.1196 COCC=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100016286323_100010712560 [0,2,0,0,0,0|2,0,0]=4 3160 B15R1.1196 COCC=Cc1ccc(c(c1)C(=O)C)F 271570a_100016286323_100000689017 [0,2,0,0,0,0|2,0,0]=4 3161 B15R1.1196 COCC=Cc1ccc(c(c1)C(=O)C)N 271570a_100016286323_100000695420 [0,2,0,0,0,0|2,0,0]=4 3162 B15R1.1196 COCC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016286323_100000212127 [0,2,0,0,0,0|1,0,0]=3 3163 B15R1.1196 COCC=Cc1ccc(c(c1)C(=O)N)O 271570a_100016286323_100000192807 [0,2,0,0,0,0|2,0,0]=4 3164 B15R1.1196 COCC=Cc1ccc(c(c1)C(C)C)F 271570a_100016286323_200053017515 [0,2,0,0,0,0|2,0,0]=4 3165 B15R1.1196 COCC=Cc1ccc(c(c1)C(C)C)N 271570a_100016286323_100000694223 [0,2,0,0,0,0|2,0,0]=4 3166 B15R1.1196 COCC=Cc1ccc(c(c1)C(C)C)O 271570a_100016286323_100000691460 [0,2,0,0,0,0|1,0,0]=3 3167 B15R1.1196 COCC=Cc1ccc(c(c1)C(C)O)F 271570a_100016286323_100011943926 [0,2,0,0,0,0|2,0,0]=4 3168 B15R1.1196 COCC=Cc1ccc(c(c1)N(C)C)F 271570a_100016286323_100010288836 [0,2,0,0,0,0|2,0,0]=4 3169 B15R1.245 C=COCCNc1ccc(c(c1)OC)O 34a_100000726020_100000039644 [0,2,0,0,0,0|1,0,1]=4 3170 B15R1.245 C=COCCSc1ccc(c(c1)OC)O 62a_100000039644_100000694246 [0,2,0,0,0,0|1,0,1]=4 3171 B15R1.245 CC/C=C\CNc1ccc(c(c1)OC)Br 2230a_100000765947_100103147603 [0,2,0,0,0,0|2,0,0]=4 3172 B15R1.245 CC/C=C\CNc1ccc(c(c1)OC)Br 34a_100000765947_100103147603 [0,2,0,0,0,0|2,0,0]=4 3173 B15R1.245 CC/C=C\CNc1ccc(c(c1)OC)C 2230a_100011279678_100103147603 [0,2,0,0,0,0|2,0,0]=4 3174 B15R1.245 CC/C=C\CNc1ccc(c(c1)OC)C 34a_100011279678_100103147603 [0,2,0,0,0,0|2,0,0]=4 3175 B15R1.245 CC/C=C\CNc1ccc(c(c1)OC)Cl 2230a_100000742311_100103147603 [0,2,0,0,0,0|2,0,0]=4 3176 B15R1.245 CC/C=C\CNc1ccc(c(c1)OC)Cl 34a_100000742311_100103147603 [0,2,0,0,0,0|2,0,0]=4 3177 B15R1.245 CC/C=C\CNc1ccc(c(c1)OC)F 2230a_100000701188_100103147603 [0,2,0,0,0,0|2,0,0]=4 3178 B15R1.245 CC/C=C\CNc1ccc(c(c1)OC)F 34a_100000701188_100103147603 [0,2,0,0,0,0|2,0,0]=4 3179 B15R1.245 CC/C=C\CNc1ccc(c(c1)OC)I 34a_100000746945_100103147603 [0,2,0,0,0,0|2,0,0]=4 3180 B15R1.245 CC/C=C\CNc1ccc(c(c1)OC)O 34a_100000726020_100103147603 [0,2,0,0,0,0|1,0,0]=3 3181 B15R1.245 CC/C=C\COc1ccc(c(c1)OC)Br 34a_100011827694_100103147603 [0,2,0,0,0,0|2,0,0]=4 3182 B15R1.245 CC/C=C\COc1ccc(c(c1)OC)Br 7a_100011827694_100103147603 [0,2,0,0,0,0|2,0,0]=4 3183 B15R1.245 CC/C=C\COc1ccc(c(c1)OC)C 34a_100009865632_100103147603 [0,2,0,0,0,0|2,0,0]=4 3184 B15R1.245 CC/C=C\COc1ccc(c(c1)OC)C 7a_100009865632_100103147603 [0,2,0,0,0,0|2,0,0]=4 3185 B15R1.245 CC/C=C\COc1ccc(c(c1)OC)Cl 34a_100012186310_100103147603 [0,2,0,0,0,0|2,0,0]=4 3186 B15R1.245 CC/C=C\COc1ccc(c(c1)OC)Cl 7a_100012186310_100103147603 [0,2,0,0,0,0|2,0,0]=4 3187 B15R1.245 CC/C=C\COc1ccc(c(c1)OC)F 34a_100012001760_100103147603 [0,2,0,0,0,0|2,0,0]=4 3188 B15R1.245 CC/C=C\COc1ccc(c(c1)OC)F 7a_100012001760_100103147603 [0,2,0,0,0,0|2,0,0]=4 3189 B15R1.245 CC/C=C\COc1ccc(c(c1)OC)N 34a_100015326901_100103147603 [0,2,0,0,0,0|2,0,0]=4 3190 B15R1.245 CC/C=C\COc1ccc(c(c1)OC)N 7a_100015326901_100103147603 [0,2,0,0,0,0|2,0,0]=4 3191 B15R1.245 CC/C=C\CSc1ccc(c(c1)CC)O 62a_100103147603_100012338938 [0,2,0,0,0,0|2,0,0]=4 3192 B15R1.245 CC/C=C\CSc1ccc(c(c1)OC)Br 62a_100012353699_100103147603 [0,2,0,0,0,0|2,0,0]=4 3193 B15R1.245 CC/C=C\CSc1ccc(c(c1)OC)Br 62a_100103147603_100012353699 [0,2,0,0,0,0|2,0,0]=4 3194 B15R1.245 CC/C=C\CSc1ccc(c(c1)OC)C 62a_100011830276_100103147603 [0,2,0,0,0,0|2,0,0]=4 3195 B15R1.245 CC/C=C\CSc1ccc(c(c1)OC)C 62a_100103147603_100011830276 [0,2,0,0,0,0|2,0,0]=4 3196 B15R1.245 CC/C=C\CSc1ccc(c(c1)OC)Cl 62a_100011356853_100103147603 [0,2,0,0,0,0|2,0,0]=4 3197 B15R1.245 CC/C=C\CSc1ccc(c(c1)OC)Cl 62a_100103147603_100011356853 [0,2,0,0,0,0|2,0,0]=4 3198 B15R1.245 CC/C=C\CSc1ccc(c(c1)OC)F 62a_100011934186_100103147603 [0,2,0,0,0,0|2,0,0]=4 3199 B15R1.245 CC/C=C\CSc1ccc(c(c1)OC)F 62a_100103147603_100011934186 [0,2,0,0,0,0|2,0,0]=4 3200 B15R1.245 CC/C=C\CSc1ccc(c(c1)OC)N 62a_100011279103_100103147603 [0,2,0,0,0,0|2,0,0]=4 3201 B15R1.245 CC/C=C\CSc1ccc(c(c1)OC)N 62a_100103147603_100015196925 [0,2,0,0,0,0|2,0,0]=4 3202 B15R1.245 CC/C=C\CSc1ccc(c(c1)OC)O 62a_100103147603_100000694246 [0,2,0,0,0,0|1,0,0]=3 3203 B15R1.245 CC/C=C\CSc1ccc(c(n1)OC)O 62a_100103147603_100010893133 [0,2,0,0,0,0|2,0,0]=4 3204 B15R1.245 CCCCC=Cc1ccc(c(c1)CC)O 271570a_100016275911_100012338938 [0,2,0,0,0,0|2,0,0]=4 3205 B15R1.245 CCCCC=Cc1ccc(c(c1)OC)Br 271570a_100016275911_100012353699 [0,2,0,0,0,0|2,0,0]=4 3206 B15R1.245 CCCCC=Cc1ccc(c(c1)OC)C 271570a_100016275911_100011830276 [0,2,0,0,0,0|2,0,0]=4 3207 B15R1.245 CCCCC=Cc1ccc(c(c1)OC)Cl 271570a_100016275911_100011356853 [0,2,0,0,0,0|2,0,0]=4 3208 B15R1.245 CCCCC=Cc1ccc(c(c1)OC)F 271570a_100016275911_100011934186 [0,2,0,0,0,0|2,0,0]=4 3209 B15R1.245 CCCCC=Cc1ccc(c(c1)OC)N 271570a_100016275911_100011279103 [0,2,0,0,0,0|2,0,0]=4 3210 B15R1.245 CCCCC=Cc1ccc(c(c1)OC)O 271570a_100016275911_100000694246 [0,2,0,0,0,0|1,0,0]=3 3211 B15R1.245 CCCCC=Cc1ccc(c(n1)OC)O 271570a_100016275911_100010893133 [0,2,0,0,0,0|2,0,0]=4 3212 B15R1.245 CCCNN=Cc1ccc(c(c1)OC)O 4a_100000740057_100000188322 [0,2,0,0,0,0|1,0,1]=4 3213 B15R1.245 CCOCCNc1ccc(c(c1)OC)O 34a_100000726020_100000210147 [0,2,0,0,0,0|1,0,1]=4 3214 B15R1.245 CCOCCSc1ccc(c(c1)OC)O 62a_100000210147_100000694246 [0,2,0,0,0,0|1,0,1]=4 3215 B15R1.245 COCCCNc1ccc(c(c1)OC)O 34a_100000726020_100000740836 [0,2,0,0,0,0|0,0,2]=4 3216 B15R1.245 COCCCSc1ccc(c(c1)OC)O 62a_100000709357_100000694246 [0,2,0,0,0,0|0,0,2]=4 3217 B15R1.245 COCCNCc1ccc(c(c1)OC)O 34a_100000185554_100011201679 [0,2,0,0,0,0|0,0,2]=4 3218 B15R1.245 COCSCCc1ccc(c(c1)OC)O 62a_100000766300_100010741665 [0,2,0,0,0,0|0,0,2]=4 3219 B15R1.245 COc1cc(ccc1Br)C=NNCCO 4a_100000210001_100010244714 [0,2,0,0,0,0|1,0,1]=4 3220 B15R1.245 COc1cc(ccc1C)C=NNCCO 4a_100000210001_100000719150 [0,2,0,0,0,0|1,0,1]=4 3221 B15R1.245 COc1cc(ccc1Cl)C=NNCCO 4a_100000210001_100011998524 [0,2,0,0,0,0|1,0,1]=4 3222 B15R1.245 COc1cc(ccc1F)C=NNCCO 4a_100000210001_100000692873 [0,2,0,0,0,0|1,0,1]=4 3223 B15R1.245 COc1cc(ccc1O)C=NNCCO 4a_100000210001_100000188322 [0,2,0,0,0,0|0,0,1]=3 3224 B15R1.245 COc1cc(ccc1O)CCNCCO 2230a_100016997473_100010741665 [0,2,0,0,0,0|0,0,2]=4 3225 B15R1.245 COc1cc(ccc1O)CCNCCO 34a_100000756042_100000211926 [0,2,0,0,0,0|0,0,2]=4 3226 B15R1.245 COc1cc(ccc1O)CCSCCO 62a_100000211926_100010741665 [0,2,0,0,0,0|0,0,2]=4 3227 B15R1.245 COc1cc(ccc1O)CNCCCO 34a_100000185554_100000230001 [0,2,0,0,0,0|0,0,2]=4 3228 B15R1.245 COc1cc(ccc1O)NCC#CCO 34a_100000726020_200000047223 [0,2,0,0,0,0|0,0,2]=4 3229 B15R1.245 COc1cc(ccc1O)NCCCCO 34a_100000726020_100011216708 [0,2,0,0,0,0|0,0,2]=4 3230 B15R1.245 COc1cc(ccc1O)SCC#CCO 62a_200000047223_100000694246 [0,2,0,0,0,0|0,0,2]=4 3231 B15R1.245 COc1cc(ccc1O)SCCCCO 62a_100000210776_100000694246 [0,2,0,0,0,0|0,0,2]=4 3232 B15R1.1277 C#CCC(=O)Cc1ccc(c(c1)OC)O 1458a_100000032101_100000184674 [0,2,0,0,0,0|1,0,1]=4 3233 B15R1.1277 C#CCC(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100011220946 [0,2,0,0,0,0|2,0,0]=4 3234 B15R1.1277 C=CCC(=O)Cc1ccc(c(c1)OC)O 1458a_100000032101_100000210623 [0,2,0,0,0,0|1,0,1]=4 3235 B15R1.1277 C=CCC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000210193 [0,2,0,0,0,0|2,0,0]=4 3236 B15R1.1277 C=CCC(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100000210193 [0,2,0,0,0,0|2,0,0]=4 3237 B15R1.1277 CC=CC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000210699 [0,2,0,0,0,0|1,0,1]=4 3238 B15R1.1277 CCCC(=O)Cc1ccc(c(c1)OC)O 1458a_100000032101_100000210303 [0,2,0,0,0,0|1,0,1]=4 3239 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000211992 [0,2,0,0,0,0|1,0,1]=4 3240 B15R1.1277 CCCC(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100000211992 [0,2,0,0,0,0|1,0,1]=4 3241 B15R1.1277 CCNC(=O)Cc1ccc(c(c1)OC)O 240690a_100015525214_100000032101 [0,2,0,0,0,0|1,0,1]=4 3242 B15R1.1277 CCNC(=O)Cc1ccc(c(c1)OC)O 527a_100015525214_100000032101 [0,2,0,0,0,0|1,0,1]=4 3243 B15R1.1277 CCNC(=O)Nc1ccc(c(c1)OC)O 2430a_100000726020_100015525214 [0,2,0,0,0,0|2,0,0]=4 3244 B15R1.1277 COCC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000210968_100010110085 [0,2,0,0,0,0|1,0,1]=4 3245 B15R1.1277 COCC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000210968_200010214485 [0,2,0,0,0,0|1,0,1]=4 3246 B15R1.1277 COCC(=O)Cc1ccc(c(c1)OC)F 1458a_100000210968_100012349856 [0,2,0,0,0,0|1,0,1]=4 3247 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Br 11a_100000765947_100000210968 [0,2,0,0,0,0|2,0,0]=4 3248 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Br 1626a_100000765947_100000210968 [0,2,0,0,0,0|2,0,0]=4 3249 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Br 22a_100000765947_100000210968 [0,2,0,0,0,0|2,0,0]=4 3250 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Br 527a_100000765947_100000210968 [0,2,0,0,0,0|2,0,0]=4 3251 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)C 11a_100011279678_100000210968 [0,2,0,0,0,0|2,0,0]=4 3252 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)C 1626a_100011279678_100000210968 [0,2,0,0,0,0|2,0,0]=4 3253 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)C 22a_100011279678_100000210968 [0,2,0,0,0,0|2,0,0]=4 3254 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)C 527a_100011279678_100000210968 [0,2,0,0,0,0|2,0,0]=4 3255 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Cl 11a_100000742311_100000210968 [0,2,0,0,0,0|2,0,0]=4 3256 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Cl 1626a_100000742311_100000210968 [0,2,0,0,0,0|2,0,0]=4 3257 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Cl 22a_100000742311_100000210968 [0,2,0,0,0,0|2,0,0]=4 3258 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Cl 34a_100138415774_100011203113 [0,2,0,0,0,0|2,0,0]=4 3259 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)Cl 527a_100000742311_100000210968 [0,2,0,0,0,0|2,0,0]=4 3260 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)F 11a_100000701188_100000210968 [0,2,0,0,0,0|2,0,0]=4 3261 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)F 1626a_100000701188_100000210968 [0,2,0,0,0,0|2,0,0]=4 3262 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)F 22a_100000701188_100000210968 [0,2,0,0,0,0|2,0,0]=4 3263 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)F 527a_100000701188_100000210968 [0,2,0,0,0,0|2,0,0]=4 3264 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)I 11a_100000746945_100000210968 [0,2,0,0,0,0|2,0,0]=4 3265 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)I 1626a_100000746945_100000210968 [0,2,0,0,0,0|2,0,0]=4 3266 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)I 22a_100000746945_100000210968 [0,2,0,0,0,0|2,0,0]=4 3267 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)I 527a_100000746945_100000210968 [0,2,0,0,0,0|2,0,0]=4 3268 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000210968 [0,2,0,0,0,0|1,0,0]=3 3269 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100000210968 [0,2,0,0,0,0|1,0,0]=3 3270 B15R1.1277 COCC(C)Nc1ccc(c(c1)OC)O 34a_100000726020_100000765312 [0,2,0,0,0,0|1,0,1]=4 3271 B15R1.1277 COCC(C)Sc1ccc(c(c1)OC)O 62a_100000765312_100000694246 [0,2,0,0,0,0|1,0,1]=4 3272 B15R1.1277 COc1cc(ccc1Br)CC(=O)CCO 1458a_100011216618_100010110085 [0,2,0,0,0,0|1,0,1]=4 3273 B15R1.1277 COc1cc(ccc1Br)CC(=O)CCO 1458a_200010002685_100000211926 [0,2,0,0,0,0|1,0,1]=4 3274 B15R1.1277 COc1cc(ccc1Br)NC(=O)CCO 22a_100000765947_100011216618 [0,2,0,0,0,0|1,0,1]=4 3275 B15R1.1277 COc1cc(ccc1C)NC(=O)CCO 22a_100011279678_100011216618 [0,2,0,0,0,0|1,0,1]=4 3276 B15R1.1277 COc1cc(ccc1Cl)CC(=O)CCO 1458a_100011216618_200010214485 [0,2,0,0,0,0|1,0,1]=4 3277 B15R1.1277 COc1cc(ccc1Cl)NC(=O)CCO 22a_100000742311_100011216618 [0,2,0,0,0,0|1,0,1]=4 3278 B15R1.1277 COc1cc(ccc1F)CC(=O)CCO 1458a_100000117344_100000211926 [0,2,0,0,0,0|1,0,1]=4 3279 B15R1.1277 COc1cc(ccc1F)CC(=O)CCO 1458a_100011216618_100012349856 [0,2,0,0,0,0|1,0,1]=4 3280 B15R1.1277 COc1cc(ccc1F)NC(=O)CCO 22a_100000701188_100011216618 [0,2,0,0,0,0|1,0,1]=4 3281 B15R1.1277 COc1cc(ccc1I)NC(=O)CCO 22a_100000746945_100011216618 [0,2,0,0,0,0|1,0,1]=4 3282 B15R1.1277 COc1cc(ccc1O)CC(=O)CC#N 1458a_100000032101_100011214920 [0,2,0,0,0,0|1,0,1]=4 3283 B15R1.1277 COc1cc(ccc1O)CC(=O)CCF 1458a_100000032101_100011217306 [0,2,0,0,0,0|1,0,1]=4 3284 B15R1.1277 COc1cc(ccc1O)CC(=O)CCO 1458a_100000032101_100000211926 [0,2,0,0,0,0|0,0,1]=3 3285 B15R1.1277 COc1cc(ccc1O)NC(=O)CC#N 22a_100000726020_100051588842 [0,2,0,0,0,0|2,0,0]=4 3286 B15R1.1277 COc1cc(ccc1O)NC(=O)CCO 22a_100000726020_100011216618 [0,2,0,0,0,0|0,0,1]=3 3287 B15R1.1277 COc1cc(ccc1O)NC(=O)CSC 22a_100000726020_100000184570 [0,2,0,0,0,0|1,1,0]=4 3288 B15R1.1277 COc1cc(ccc1O)NC(=O)CSC 527a_100000726020_100000184570 [0,2,0,0,0,0|1,1,0]=4 3289 B15R1.1277 COc1cc(ccc1O)NC(C)CCO 34a_100000726020_100009893172 [0,2,0,0,0,0|0,0,2]=4 3290 B15R1.1277 COc1cc(ccc1O)SC(C)CCO 62a_100009893172_100000694246 [0,2,0,0,0,0|0,0,2]=4 3291 B15R1.2085 CCCC=Cc1ccc(c(c1F)OC)Cl 271570a_100016258520_200135222481 [0,2,0,0,0,0|2,0,0]=4 3292 B15R1.2085 CCCC=Cc1ccc(c(c1F)OC)N 271570a_100016258520_100010734149 [0,2,0,0,0,0|2,0,0]=4 3293 B15R1.2085 CCNN=Cc1ccc(c(c1O)OC)O 4a_100000756455_100009834984 [0,2,0,0,0,0|2,0,0]=4 3294 B15R1.2085 CCOC=Cc1ccc(c(c1F)OC)Cl 271570a_100016256518_200135222481 [0,2,0,0,0,0|2,0,0]=4 3295 B15R1.2085 CCOC=Cc1ccc(c(c1F)OC)N 271570a_100016256518_100010734149 [0,2,0,0,0,0|2,0,0]=4 3296 B15R1.2085 COCC=Cc1ccc(c(c1F)OC)Cl 271570a_100016286323_200135222481 [0,2,0,0,0,0|1,0,0]=3 3297 B15R1.2085 COCC=Cc1ccc(c(c1F)OC)N 271570a_100016286323_100010734149 [0,2,0,0,0,0|1,0,0]=3 3298 B15R1.2085 COCC=Cc1ccc(c(c1F)SC)F 271570a_100016286323_202125771753 [0,2,0,0,0,0|1,1,0]=4 3299 B15R1.4030 CCc1cc(ccc1O)C=CCC(C)C 271570a_100016259101_100012338938 [0,2,0,0,0,0|2,0,0]=4 3300 B15R1.4030 COc1cc(ccc1Br)C=CCC(C)C 271570a_100016259101_100012353699 [0,2,0,0,0,0|2,0,0]=4 3301 B15R1.4030 COc1cc(ccc1C)C=CCC(C)C 271570a_100016259101_100011830276 [0,2,0,0,0,0|2,0,0]=4 3302 B15R1.4030 COc1cc(ccc1Cl)C=CCC(C)C 271570a_100016259101_100011356853 [0,2,0,0,0,0|2,0,0]=4 3303 B15R1.4030 COc1cc(ccc1F)C=CCC(C)C 271570a_100016259101_100011934186 [0,2,0,0,0,0|2,0,0]=4 3304 B15R1.4030 COc1cc(ccc1N)C=CCC(C)C 271570a_100016259101_100011279103 [0,2,0,0,0,0|2,0,0]=4 3305 B15R1.4030 COc1cc(ccc1O)C=CCC(C)C 271570a_100016259101_100000694246 [0,2,0,0,0,0|1,0,0]=3 3306 B15R1.4030 COc1cc(ccc1O)C=NNC(C)C 4a_100000741168_100000188322 [0,2,0,0,0,0|2,0,0]=4 3307 B15R1.4030 COc1cc(ccc1O)CNCC(C)O 34a_100000185554_100011218427 [0,2,0,0,0,0|0,0,2]=4 3308 B15R1.4030 COc1cc(ccc1O)CNC[C@@H](C)O 34a_100000185554_100009817552 [0,2,0,0,0,0|0,0,2]=4 3309 B15R1.4030 COc1cc(ccc1O)NCCC(C)O 34a_100000726020_100012276601 [0,2,0,0,0,0|0,0,2]=4 3310 B15R1.4030 COc1cc(ccc1O)SCCC(C)O 62a_100012276601_100000694246 [0,2,0,0,0,0|0,0,2]=4 3311 B15R1.4030 COc1nc(ccc1O)C=CCC(C)C 271570a_100016259101_100010893133 [0,2,0,0,0,0|2,0,0]=4 3312 B15R1.4141 CCCC=Cc1cc(c(c(c1)CC)O)C 271570a_100016258520_100010659108 [0,2,0,0,0,0|2,0,0]=4 3313 B15R1.4141 CCCC=Cc1cc(c(c(c1)OC)F)C 271570a_100016258520_100010271686 [0,2,0,0,0,0|2,0,0]=4 3314 B15R1.4141 CCCC=Cc1cc(c(c(c1)OC)F)F 271570a_100016258520_100011218012 [0,2,0,0,0,0|2,0,0]=4 3315 B15R1.4141 CCCC=Cc1cc(c(c(c1)OC)F)O 271570a_100016258520_200015524394 [0,2,0,0,0,0|2,0,0]=4 3316 B15R1.4141 CCCC=Cc1cc(c(c(c1)OC)N)C 271570a_100016258520_100000741850 [0,2,0,0,0,0|2,0,0]=4 3317 B15R1.4141 CCNN=Cc1cc(c(c(c1)OC)O)Br 4a_100000756455_100000186746 [0,2,0,0,0,0|2,0,0]=4 3318 B15R1.4141 CCNN=Cc1cc(c(c(c1)OC)O)C 4a_100000756455_100000050991 [0,2,0,0,0,0|2,0,0]=4 3319 B15R1.4141 CCNN=Cc1cc(c(c(c1)OC)O)Cl 4a_100000756455_100000010622 [0,2,0,0,0,0|2,0,0]=4 3320 B15R1.4141 CCNN=Cc1cc(c(c(c1)OC)O)F 4a_100000756455_100000039941 [0,2,0,0,0,0|2,0,0]=4 3321 B15R1.4141 CCNN=Cc1cc(c(c(c1)OC)O)I 4a_100000756455_100000184534 [0,2,0,0,0,0|2,0,0]=4 3322 B15R1.4141 CCNN=Cc1cc(c(c(c1)OC)O)O 4a_100000756455_100000010769 [0,2,0,0,0,0|2,0,0]=4 3323 B15R1.4141 CCOC=Cc1cc(c(c(c1)CC)O)C 271570a_100016256518_100010659108 [0,2,0,0,0,0|2,0,0]=4 3324 B15R1.4141 CCOC=Cc1cc(c(c(c1)OC)F)C 271570a_100016256518_100010271686 [0,2,0,0,0,0|2,0,0]=4 3325 B15R1.4141 CCOC=Cc1cc(c(c(c1)OC)F)F 271570a_100016256518_100011218012 [0,2,0,0,0,0|2,0,0]=4 3326 B15R1.4141 CCOC=Cc1cc(c(c(c1)OC)F)O 271570a_100016256518_200015524394 [0,2,0,0,0,0|2,0,0]=4 3327 B15R1.4141 CCOC=Cc1cc(c(c(c1)OC)N)C 271570a_100016256518_100000741850 [0,2,0,0,0,0|2,0,0]=4 3328 B15R1.4141 CCc1cc(cc(c1N)C)C=CCOC 271570a_100016286323_200000186424 [0,2,0,0,0,0|2,0,0]=4 3329 B15R1.4141 CCc1cc(cc(c1O)C)C=CCOC 271570a_100016286323_100010659108 [0,2,0,0,0,0|1,0,0]=3 3330 B15R1.4141 COCC=Cc1cc(c(c(c1)C#N)O)C 271570a_100016286323_100010195408 [0,2,0,0,0,0|2,0,0]=4 3331 B15R1.4141 COCC=Cc1cc(c(c(c1)C=O)O)F 271570a_100016286323_100011217654 [0,2,0,0,0,0|2,0,0]=4 3332 B15R1.4141 COCC=Cc1cc(c(c(c1)OC)F)C 271570a_100016286323_100010271686 [0,2,0,0,0,0|1,0,0]=3 3333 B15R1.4141 COCC=Cc1cc(c(c(c1)OC)F)F 271570a_100016286323_100011218012 [0,2,0,0,0,0|1,0,0]=3 3334 B15R1.4141 COCC=Cc1cc(c(c(c1)OC)F)O 271570a_100016286323_200015524394 [0,2,0,0,0,0|1,0,0]=3 3335 B15R1.4141 COCC=Cc1cc(c(c(c1)OC)N)C 271570a_100016286323_100000741850 [0,2,0,0,0,0|1,0,0]=3 3336 B15R1.4141 COCCSc1cc(c(c(c1)OC)O)O 62a_100000233755_200159242197 [0,2,0,0,0,0|1,0,1]=4 3337 B15R1.4141 COc1cc(cc(c1O)O)SCCCO 62a_100011215043_200159242197 [0,2,0,0,0,0|0,0,2]=4 3338 B15R1.4458 CCCC=Cc1cc(c(cc1Br)Br)OC 271570a_100016258520_200014006352 [0,2,0,0,0,0|2,0,0]=4 3339 B15R1.4458 CCCC=Cc1cc(c(cc1C)F)OC 271570a_100016258520_100011009880 [0,2,0,0,0,0|2,0,0]=4 3340 B15R1.4458 CCCC=Cc1cc(c(cc1C)N)OC 271570a_100016258520_100010141321 [0,2,0,0,0,0|2,0,0]=4 3341 B15R1.4458 CCCC=Cc1cc(c(cc1F)Cl)OC 271570a_100016258520_100010739614 [0,2,0,0,0,0|2,0,0]=4 3342 B15R1.4458 CCCC=Cc1cc(c(cc1F)F)OC 271570a_100016258520_200015541288 [0,2,0,0,0,0|2,0,0]=4 3343 B15R1.4458 CCCC=Cc1cc(c(cc1F)N)OC 271570a_100016258520_100012766639 [0,2,0,0,0,0|2,0,0]=4 3344 B15R1.4458 CCCC=Cc1cc(c(cc1F)O)OC 271570a_100016258520_100010189133 [0,2,0,0,0,0|1,0,0]=3 3345 B15R1.4458 CCCC=Cc1cc(c(cc1N)C)OC 271570a_100016258520_200010584344 [0,2,0,0,0,0|2,0,0]=4 3346 B15R1.4458 CCCC=Cc1cc(c(cc1N)F)OC 271570a_100016258520_100010365326 [0,2,0,0,0,0|2,0,0]=4 3347 B15R1.4458 CCNN=Cc1cc(c(cc1Br)O)OC 4a_100000756455_100000741691 [0,2,0,0,0,0|2,0,0]=4 3348 B15R1.4458 CCOC=Cc1cc(c(cc1Br)Br)OC 271570a_100016256518_200014006352 [0,2,0,0,0,0|2,0,0]=4 3349 B15R1.4458 CCOC=Cc1cc(c(cc1C)F)OC 271570a_100016256518_100011009880 [0,2,0,0,0,0|2,0,0]=4 3350 B15R1.4458 CCOC=Cc1cc(c(cc1C)N)OC 271570a_100016256518_100010141321 [0,2,0,0,0,0|2,0,0]=4 3351 B15R1.4458 CCOC=Cc1cc(c(cc1F)Cl)OC 271570a_100016256518_100010739614 [0,2,0,0,0,0|2,0,0]=4 3352 B15R1.4458 CCOC=Cc1cc(c(cc1F)F)OC 271570a_100016256518_200015541288 [0,2,0,0,0,0|2,0,0]=4 3353 B15R1.4458 CCOC=Cc1cc(c(cc1F)N)OC 271570a_100016256518_100012766639 [0,2,0,0,0,0|2,0,0]=4 3354 B15R1.4458 CCOC=Cc1cc(c(cc1F)O)OC 271570a_100016256518_100010189133 [0,2,0,0,0,0|1,0,0]=3 3355 B15R1.4458 CCOC=Cc1cc(c(cc1N)C)OC 271570a_100016256518_200010584344 [0,2,0,0,0,0|2,0,0]=4 3356 B15R1.4458 CCOC=Cc1cc(c(cc1N)F)OC 271570a_100016256518_100010365326 [0,2,0,0,0,0|2,0,0]=4 3357 B15R1.4458 CNc1cc(c(cc1N)F)C=CCOC 271570a_100016286323_100013631271 [0,2,0,0,0,0|2,0,0]=4 3358 B15R1.4458 COCC=Cc1cc(c(cc1Br)Br)OC 271570a_100016286323_200014006352 [0,2,0,0,0,0|1,0,0]=3 3359 B15R1.4458 COCC=Cc1cc(c(cc1C)F)OC 271570a_100016286323_100011009880 [0,2,0,0,0,0|1,0,0]=3 3360 B15R1.4458 COCC=Cc1cc(c(cc1C)N)OC 271570a_100016286323_100010141321 [0,2,0,0,0,0|1,0,0]=3 3361 B15R1.4458 COCC=Cc1cc(c(cc1F)Cl)OC 271570a_100016286323_100010739614 [0,2,0,0,0,0|1,0,0]=3 3362 B15R1.4458 COCC=Cc1cc(c(cc1F)F)OC 271570a_100016286323_200015541288 [0,2,0,0,0,0|1,0,0]=3 3363 B15R1.4458 COCC=Cc1cc(c(cc1F)N)OC 271570a_100016286323_100012766639 [0,2,0,0,0,0|1,0,0]=3 3364 B15R1.4458 COCC=Cc1cc(c(cc1F)O)C=O 271570a_100016286323_100010175118 [0,2,0,0,0,0|2,0,0]=4 3365 B15R1.4458 COCC=Cc1cc(c(cc1F)O)OC 271570a_100016286323_100010189133 [0,2,0,0,0,0|0,0,0]=2 3366 B15R1.4458 COCC=Cc1cc(c(cc1N)C)OC 271570a_100016286323_200010584344 [0,2,0,0,0,0|1,0,0]=3 3367 B15R1.4458 COCC=Cc1cc(c(cc1N)F)OC 271570a_100016286323_100010365326 [0,2,0,0,0,0|1,0,0]=3 3368 B15R1.4458 COCC=Cc1cc(c(cc1O)O)C=O 271570a_100016286323_200010132312 [0,2,0,0,0,0|2,0,0]=4 3369 B15R1.4458 COCC=Cc1cc(c(nc1C)N)OC 271570a_100016286323_200010892190 [0,2,0,0,0,0|2,0,0]=4 3370 B15R1.4458 COCCSc1cc(c(cc1F)O)OC 62a_100000233755_100010189133 [0,2,0,0,0,0|1,0,1]=4 3371 B15R1.4458 COc1cc(c(cc1O)F)SCCCO 62a_100011215043_100010189133 [0,2,0,0,0,0|0,0,2]=4 3372 B15R1.5196 COc1c(ccc(c1F)CC(=O)CO)Cl 1458a_100000210174_100010116237 [0,2,0,0,0,0|1,0,1]=4 3373 B15R1.5196 COc1c(ccc(c1F)CC(=O)CO)F 1458a_100000210174_100009814548 [0,2,0,0,0,0|1,0,1]=4 3374 B15R1.5196 COc1c(ccc(c1F)NC(=O)CO)F 22a_100137314619_100000210174 [0,2,0,0,0,0|2,0,0]=4 3375 B15R1.5196 COc1c(ccc(c1F)NC(=O)CO)F 527a_100137314619_100000210174 [0,2,0,0,0,0|2,0,0]=4 3376 B15R1.371 CCC(=O)Cc1cc(c(c(c1)OC)O)Br 1458a_100009814412_100000210202 [0,2,0,0,0,0|1,0,1]=4 3377 B15R1.371 COc1cc(cc(c1Cl)Br)NC(=O)CO 22a_100010131419_100000210174 [0,2,0,0,0,0|2,0,0]=4 3378 B15R1.371 COc1cc(cc(c1Cl)Br)NC(=O)CO 527a_100010131419_100000210174 [0,2,0,0,0,0|2,0,0]=4 3379 B15R1.371 COc1cc(cc(c1O)Br)C=C(C)C#N 6a_100000186746_200000212204 [0,2,0,0,0,0|1,0,1]=4 3380 B15R1.371 COc1cc(cc(c1O)Br)C=C(F)C#N 6a_100000186746_200000032654 [0,2,0,0,0,0|1,0,1]=4 3381 B15R1.371 COc1cc(cc(c1O)Br)CC(=O)CF 1458a_100009814412_100015361967 [0,2,0,0,0,0|1,0,1]=4 3382 B15R1.371 COc1cc(cc(c1O)C)C=C(C)C#N 6a_100000050991_200000212204 [0,2,0,0,0,0|1,0,1]=4 3383 B15R1.371 COc1cc(cc(c1O)C)C=C(F)C#N 6a_100000050991_200000032654 [0,2,0,0,0,0|1,0,1]=4 3384 B15R1.371 COc1cc(cc(c1O)Cl)C=C(C)C#N 6a_100000010622_200000212204 [0,2,0,0,0,0|1,0,1]=4 3385 B15R1.371 COc1cc(cc(c1O)Cl)C=C(F)C#N 6a_100000010622_200000032654 [0,2,0,0,0,0|1,0,1]=4 3386 B15R1.371 COc1cc(cc(c1O)F)C=C(C)C#N 6a_100000039941_200000212204 [0,2,0,0,0,0|1,0,1]=4 3387 B15R1.371 COc1cc(cc(c1O)F)C=C(F)C#N 6a_100000039941_200000032654 [0,2,0,0,0,0|1,0,1]=4 3388 B15R1.371 COc1cc(cc(c1O)I)C=C(C)C#N 6a_100000184534_200000212204 [0,2,0,0,0,0|1,0,1]=4 3389 B15R1.371 COc1cc(cc(c1O)I)C=C(F)C#N 6a_100000184534_200000032654 [0,2,0,0,0,0|1,0,1]=4 3390 B15R1.371 COc1cc(cc(c1O)O)SC(C)CO 62a_100012180447_200159242197 [0,2,0,0,0,0|1,0,1]=4 3391 B15R1.371 COc1cc(cc(c1O)O)S[C@H](C)CO 62a_100016084084_200159242197 [0,2,0,0,0,0|1,0,1]=4 3392 B15R1.1794 CCC(=O)Cc1cc(c(cc1Br)O)OC 1458a_100009814189_100000210202 [0,2,0,0,0,0|1,0,1]=4 3393 B15R1.1794 COc1cc(c(cc1Br)C)NC(=O)CO 22a_100010232211_100000210174 [0,2,0,0,0,0|2,0,0]=4 3394 B15R1.1794 COc1cc(c(cc1Br)C)NC(=O)CO 527a_100010232211_100000210174 [0,2,0,0,0,0|2,0,0]=4 3395 B15R1.1794 COc1cc(c(cc1Cl)C)NC(=O)CO 22a_100009858536_100000210174 [0,2,0,0,0,0|2,0,0]=4 3396 B15R1.1794 COc1cc(c(cc1Cl)C)NC(=O)CO 527a_100009858536_100000210174 [0,2,0,0,0,0|2,0,0]=4 3397 B15R1.1794 COc1cc(c(cc1Cl)Cl)NC(=O)CO 22a_100011830341_100000210174 [0,2,0,0,0,0|2,0,0]=4 3398 B15R1.1794 COc1cc(c(cc1Cl)F)NC(=O)CO 22a_100009872666_100000210174 [0,2,0,0,0,0|2,0,0]=4 3399 B15R1.1794 COc1cc(c(cc1F)Cl)NC(=O)CO 22a_100009958774_100000210174 [0,2,0,0,0,0|2,0,0]=4 3400 B15R1.1794 COc1cc(c(cc1O)Br)CC(=O)CF 1458a_100009814189_100015361967 [0,2,0,0,0,0|1,0,1]=4 3401 B15R1.1794 COc1cc(c(cc1O)F)SC(C)CO 62a_100012180447_100010189133 [0,2,0,0,0,0|1,0,1]=4 3402 B15R1.1794 COc1cc(c(cc1O)F)S[C@H](C)CO 62a_100016084084_100010189133 [0,2,0,0,0,0|1,0,1]=4 3403 B15R1.4040 CCC(=Cc1ccc(c(c1)OC)C)C#N 6a_100000719150_100011193412 [0,2,0,0,0,0|2,0,0]=4 3404 B15R1.4040 CCC(=Cc1ccc(c(c1)OC)Cl)C#N 6a_100011998524_100011193412 [0,2,0,0,0,0|2,0,0]=4 3405 B15R1.4040 CCC(=Cc1ccc(c(c1)OC)F)C#N 6a_100000692873_100011193412 [0,2,0,0,0,0|2,0,0]=4 3406 B15R1.4040 COc1cc(ccc1C)C=C(C#N)CBr 6a_100000719150_100011215226 [0,2,0,0,0,0|2,0,0]=4 3407 B15R1.4040 COc1cc(ccc1C)C=C(C#N)CCl 6a_100000719150_100000184422 [0,2,0,0,0,0|2,0,0]=4 3408 B15R1.4040 COc1cc(ccc1Cl)C=C(C#N)CBr 6a_100011998524_100011215226 [0,2,0,0,0,0|2,0,0]=4 3409 B15R1.4040 COc1cc(ccc1Cl)C=C(C#N)CCl 6a_100011998524_100000184422 [0,2,0,0,0,0|2,0,0]=4 3410 B15R1.4040 COc1cc(ccc1F)C=C(C#N)CBr 6a_100000692873_100011215226 [0,2,0,0,0,0|2,0,0]=4 3411 B15R1.4040 COc1cc(ccc1F)C=C(C#N)CCl 6a_100000692873_100000184422 [0,2,0,0,0,0|2,0,0]=4 3412 B15R1.17595 COc1cc(ccc1O)SC(F)(F)CO 62a_100011217949_100000694246 [0,2,0,0,0,0|1,0,1]=4 3413 B15R1.38243 COc1cc(c(cc1O)C=O)SCCO 62a_100000211926_100000183646 [0,2,0,0,0,0|1,0,1]=4 3414 B15R1.5536 COc1cc(cc(c1O)C=O)SCCO 62a_100000211926_100000047136 [0,2,0,0,0,0|1,0,1]=4 3415 B15R1.5536 COc1cc(cc(c1O)CO)SCCO 62a_100000211926_100000185604 [0,2,0,0,0,0|1,0,1]=4 3416 B13R1.433 C=Cc1cc(c(c(c1)OC)N)CO 271570a_100011290941_100010235085 [0,0,1,1,0,0|1,0,0]=3 3417 B13R1.433 C=Cc1cc(c(c(c1)OC)O)CO 271570a_100011290941_100000185604 [0,0,1,1,0,0|0,0,0]=2 3418 B13R1.433 C=Cc1cc(c(c(c1)OC)O)OC 271570a_100011290941_100000691893 [0,0,1,1,0,0|2,0,0]=4 3419 B13R1.433 COc1cc(cc(c1O)CO)SC 62a_200000210301_100000185604 [0,0,1,1,0,0|1,0,1]=4 3420 B13R1.433 COc1cc(cc(c1O)CO)S[13CH3] 62a_200025704644_100000185604 [0,0,1,1,0,0|1,0,1]=4 3421 B13R2.449 C=C=Cc1ccc2c(c1)OCO2 271570a_100015277604_100000688060 [1,0,0,1,0,0|0,0,2]=4 3422 B13R2.449 CC=Cc1cc2c(cn1)OCC2 271570a_100016259895_102495363667 [1,0,0,1,0,0|2,0,0]=4 3423 B13R2.449 CC=Cc1ccc2c(c1)CCC2 271570a_100016259895_100000745594 [1,0,0,1,0,0|2,0,0]=4 3424 B13R2.449 CC=Cc1ccc2c(c1)CCN2 271570a_100016259895_100000026929 [1,0,0,1,0,0|2,0,0]=4 3425 B13R2.449 CC=Cc1ccc2c(c1)CCO2 271570a_100016259895_100000729065 [1,0,0,1,0,0|1,0,0]=3 3426 B13R2.449 CC=Cc1ccc2c(c1)NCC2 271570a_100016259895_100000754641 [1,0,0,1,0,0|2,0,0]=4 3427 B13R2.449 CC=Cc1ccc2c(c1)OCC2 271570a_100016259895_100009818566 [1,0,0,1,0,0|1,0,0]=3 3428 B13R2.449 CC=Cc1ccc2c(c1)OCO2 271570a_100016259895_100000688060 [1,0,0,1,0,0|0,0,0]=2 3429 B13R2.449 CC=Cc1ccc2ccoc2c1 271570a_100016259895_100000759542 [1,0,0,1,0,0|1,0,1]=4 3430 B13R2.449 CC=Cc1ccc2cnoc2c1 271570a_100016259895_100009817722 [1,0,0,1,0,0|2,0,0]=4 3431 B13R2.449 CC=Cc1ccc2ncoc2c1 271570a_100016259895_100009817590 [1,0,0,1,0,0|1,0,1]=4 3432 B13R2.449 CC=Cc1ccc2occc2c1 271570a_100016259895_100012343831 [1,0,0,1,0,0|1,0,1]=4 3433 B13R2.449 CC=Cc1ccc2ocnc2c1 271570a_100016259895_100009816175 [1,0,0,1,0,0|1,0,1]=4 3434 B13R2.449 CC=Cc1ccc2oncc2c1 271570a_100016259895_100009817723 [1,0,0,1,0,0|2,0,0]=4 3435 B13R2.449 CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210202 [1,0,0,1,0,0|1,0,1]=4 3436 B13R2.449 CCNc1ccc2c(c1)OCO2 34a_100000209953_100000210202 [1,0,0,1,0,0|1,0,1]=4 3437 B13R2.449 CCOc1ccc2c(c1)OCO2 34a_100000210298_100000210202 [1,0,0,1,0,0|1,0,1]=4 3438 B13R2.449 CNCc1ccc2c(c1)OCO2 2230a_100000210006_200000210301 [1,0,0,1,0,0|1,0,1]=4 3439 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100000210006_200000210301 [1,0,0,1,0,0|1,0,1]=4 3440 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100102657272_100000189651 [1,0,0,1,0,0|1,0,1]=4 3441 B13R2.449 CNCc1ccc2c(c1)OCO2 7a_106832991635_100000189651 [1,0,0,1,0,0|1,0,1]=4 3442 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100000210967_200000210301 [1,0,0,1,0,0|1,0,1]=4 3443 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100138415774_100000189651 [1,0,0,1,0,0|1,0,1]=4 3444 B13R2.449 FCNc1ccc2c(c1)OCO2 34a_100000209953_100015361967 [1,0,0,1,0,0|2,0,0]=4 3445 B13R2.449 FCOc1ccc2c(c1)OCO2 34a_100000210298_100015361967 [1,0,0,1,0,0|2,0,0]=4 3446 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 2230a_100000210006_200025704644 [1,0,0,1,0,0|1,0,1]=4 3447 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 34a_100000210006_200025704644 [1,0,0,1,0,0|1,0,1]=4 3448 B13R2.449 [13CH3]OCc1ccc2c(c1)OCO2 34a_100000210967_200025704644 [1,0,0,1,0,0|1,0,1]=4 3449 B13R2.599 COc1cc2[nH]ccc2cc1O 271570a_203496583355_100010245498 [1,0,0,1,0,0|1,0,1]=4 3450 B13R2.599 COc1cc2[nH]cnc2cc1O 271570a_203496583355_100010062394 [1,0,0,1,0,0|2,0,0]=4 3451 B13R2.599 COc1cc2c(cc1Br)OCO2 34a_100010290809_200000210301 [1,0,0,1,0,0|2,0,0]=4 3452 B13R2.599 COc1cc2c(cc1Br)OCO2 7a_100010290809_200000210301 [1,0,0,1,0,0|2,0,0]=4 3453 B13R2.599 COc1cc2c(cc1C)OCO2 34a_100000145572_200000210301 [1,0,0,1,0,0|2,0,0]=4 3454 B13R2.599 COc1cc2c(cc1C)OCO2 7a_100000145572_200000210301 [1,0,0,1,0,0|2,0,0]=4 3455 B13R2.599 COc1cc2cc[nH]c2cc1O 271570a_203496583355_100010245486 [1,0,0,1,0,0|1,0,0]=3 3456 B13R2.599 COc1cc2cn[nH]c2cc1O 271570a_203496583355_100010074698 [1,0,0,1,0,0|2,0,0]=4 3457 B13R2.599 Cc1cc2c(cc1O[13CH3])OCO2 34a_100000145572_200025704644 [1,0,0,1,0,0|2,0,0]=4 3458 B13R2.599 Cc1cc2c(cc1O[13CH3])OCO2 7a_100000145572_200025704644 [1,0,0,1,0,0|2,0,0]=4 3459 B13R2.599 [13CH3]Oc1cc2c(cc1Br)OCO2 34a_100010290809_200025704644 [1,0,0,1,0,0|2,0,0]=4 3460 B13R2.599 [13CH3]Oc1cc2c(cc1Br)OCO2 7a_100010290809_200025704644 [1,0,0,1,0,0|2,0,0]=4 3461 B13R2.2461 COc1cc(ccc1O)C2CC2 271570a_100011220607_100000694246 [1,0,0,1,0,0|0,0,2]=4 3462 B13R2.57 COc1ccc2c(c1)NCCO2 34a_100020636358_200000210301 [1,0,0,1,0,0|1,0,1]=4 3463 B13R2.57 COc1ccc2c(c1)OCCO2 34a_100000234341_200000210301 [1,0,0,1,0,0|1,0,1]=4 3464 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [1,0,0,1,0,0|1,0,1]=4 3465 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [1,0,0,1,0,0|1,0,1]=4 3466 B13R2.57 COc1ccc2cnccc2c1 34a_100000046372_200000210301 [1,0,0,1,0,0|2,0,0]=4 3467 B13R2.57 COc1ccc2cnccc2c1 7a_100000046372_200000210301 [1,0,0,1,0,0|2,0,0]=4 3468 B13R2.57 COc1ccc2ncccc2c1 34a_100011215586_200000210301 [1,0,0,1,0,0|1,0,1]=4 3469 B13R2.57 COc1ccc2ncccc2c1 7a_100011215586_200000210301 [1,0,0,1,0,0|1,0,1]=4 3470 B13R2.57 [13CH3]Oc1ccc2c(c1)NCCO2 34a_100020636358_200025704644 [1,0,0,1,0,0|1,0,1]=4 3471 B13R2.57 [13CH3]Oc1ccc2c(c1)OCCO2 34a_100000234341_200025704644 [1,0,0,1,0,0|1,0,1]=4 3472 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [1,0,0,1,0,0|1,0,1]=4 3473 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [1,0,0,1,0,0|1,0,1]=4 3474 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 34a_100000046372_200025704644 [1,0,0,1,0,0|2,0,0]=4 3475 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 7a_100000046372_200025704644 [1,0,0,1,0,0|2,0,0]=4 3476 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 34a_100011215586_200025704644 [1,0,0,1,0,0|1,0,1]=4 3477 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 7a_100011215586_200025704644 [1,0,0,1,0,0|1,0,1]=4 3478 B13R2.1613 COc1cccc2c1OCCO2 34a_100000045995_200000210301 [1,0,0,1,0,0|1,0,1]=4 3479 B13R2.1613 COc1cccc2c1OCCO2 7a_100000045995_200000210301 [1,0,0,1,0,0|1,0,1]=4 3480 B13R2.1613 COc1cccc2c1cccc2 34a_100000210388_200000210301 [1,0,0,1,0,0|1,0,1]=4 3481 B13R2.1613 COc1cccc2c1cccc2 7a_100000210388_200000210301 [1,0,0,1,0,0|1,0,1]=4 3482 B13R2.1613 COc1cccc2c1cncc2 34a_103624766955_200000210301 [1,0,0,1,0,0|2,0,0]=4 3483 B13R2.1613 COc1cccc2c1nccc2 34a_100000056035_200000210301 [1,0,0,1,0,0|1,0,1]=4 3484 B13R2.1613 [13CH3]Oc1cccc2c1OCCO2 34a_100000045995_200025704644 [1,0,0,1,0,0|1,0,1]=4 3485 B13R2.1613 [13CH3]Oc1cccc2c1OCCO2 7a_100000045995_200025704644 [1,0,0,1,0,0|1,0,1]=4 3486 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 34a_100000210388_200025704644 [1,0,0,1,0,0|1,0,1]=4 3487 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 7a_100000210388_200025704644 [1,0,0,1,0,0|1,0,1]=4 3488 B13R2.1613 [13CH3]Oc1cccc2c1cncc2 34a_103624766955_200025704644 [1,0,0,1,0,0|2,0,0]=4 3489 B13R2.1613 [13CH3]Oc1cccc2c1nccc2 34a_100000056035_200025704644 [1,0,0,1,0,0|1,0,1]=4 3490 B13R2.32 Cc1c(ccc2c1OCCO2)O 271570a_203496583355_100010072848 [1,0,0,1,0,0|1,0,1]=4 3491 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [1,0,0,1,0,0|1,0,1]=4 3492 B13R2.32 Cc1c(ccc2c1nccc2)O 271570a_203496583355_100010214467 [1,0,0,1,0,0|1,0,1]=4 3493 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [1,0,0,1,0,0|1,0,1]=4 3494 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [1,0,0,1,0,0|1,0,1]=4 3495 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100009816563 [1,0,0,1,0,0|1,0,1]=4 3496 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100010173343 [1,0,0,1,0,0|1,0,1]=4 3497 B13R2.32 Oc1ccc2ccncc2c1O 271570a_203496583355_200010115057 [1,0,0,1,0,0|2,0,0]=4 3498 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [1,0,0,1,0,0|1,0,1]=4 3499 B13R2.369 Oc1cc2cccnc2cc1O 271570a_203496583355_200010153759 [1,0,0,1,0,0|1,0,1]=4 3500 B15R2.1754 CSc1cc2ccc(cc2cc1O)O 62a_200000210301_100010179872 [0,1,0,1,0,0|0,1,1]=4 3501 B15R2.1754 [13CH3]Sc1cc2ccc(cc2cc1O)O 62a_200025704644_100010179872 [0,1,0,1,0,0|0,1,1]=4 3502 B15R2.4522 CCc1cc(ccc1O)C=CC2CC2 271570a_100102526188_100012338938 [0,1,0,1,0,0|2,0,0]=4 3503 B15R2.4522 COc1cc(ccc1Br)C=CC2CC2 271570a_100102526188_100012353699 [0,1,0,1,0,0|2,0,0]=4 3504 B15R2.4522 COc1cc(ccc1C)C=CC2CC2 271570a_100102526188_100011830276 [0,1,0,1,0,0|2,0,0]=4 3505 B15R2.4522 COc1cc(ccc1Cl)C=CC2CC2 271570a_100102526188_100011356853 [0,1,0,1,0,0|2,0,0]=4 3506 B15R2.4522 COc1cc(ccc1F)C=CC2CC2 271570a_100102526188_100011934186 [0,1,0,1,0,0|2,0,0]=4 3507 B15R2.4522 COc1cc(ccc1N)C=CC2CC2 271570a_100102526188_100011279103 [0,1,0,1,0,0|2,0,0]=4 3508 B15R2.4522 COc1cc(ccc1O)C=CC2CC2 271570a_100102526188_100000694246 [0,1,0,1,0,0|1,0,0]=3 3509 B15R2.4522 COc1cc(ccc1O)NCC2CO2 34a_100000726020_102125554688 [0,1,0,1,0,0|0,0,2]=4 3510 B15R2.4522 COc1cc(ccc1O)SCC2CO2 62a_102125554688_100000694246 [0,1,0,1,0,0|0,0,2]=4 3511 B15R2.4522 COc1cc(ccc1O)SC[C@@H]2CO2 62a_100000745022_100000694246 [0,1,0,1,0,0|0,0,2]=4 3512 B15R2.4522 COc1nc(ccc1O)C=CC2CC2 271570a_100102526188_100010893133 [0,1,0,1,0,0|2,0,0]=4 3513 B15R2.7688 CC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_200000210301 [0,1,0,1,0,0|0,0,2]=4 3514 B15R2.7688 CC(C)C=Cc1ccc2c(c1)CCO2 271570a_100016257149_100000729065 [0,1,0,1,0,0|2,0,0]=4 3515 B15R2.7688 CC(C)C=Cc1ccc2c(c1)OCC2 271570a_100016257149_100009818566 [0,1,0,1,0,0|2,0,0]=4 3516 B15R2.7688 CC(C)C=Cc1ccc2c(c1)OCO2 271570a_100016257149_100000688060 [0,1,0,1,0,0|1,0,0]=3 3517 B15R2.7688 CC(O)C=Cc1cc2c(cn1)OCC2 271570a_200011019289_102495363667 [0,1,0,1,0,0|2,0,0]=4 3518 B15R2.7688 CC(O)C=Cc1ccc2c(c1)CCC2 271570a_200011019289_100000745594 [0,1,0,1,0,0|2,0,0]=4 3519 B15R2.7688 CC(O)C=Cc1ccc2c(c1)CCN2 271570a_200011019289_100000026929 [0,1,0,1,0,0|2,0,0]=4 3520 B15R2.7688 CC(O)C=Cc1ccc2c(c1)CCO2 271570a_200011019289_100000729065 [0,1,0,1,0,0|1,0,0]=3 3521 B15R2.7688 CC(O)C=Cc1ccc2c(c1)NCC2 271570a_200011019289_100000754641 [0,1,0,1,0,0|2,0,0]=4 3522 B15R2.7688 CC(O)C=Cc1ccc2c(c1)OCC2 271570a_200011019289_100009818566 [0,1,0,1,0,0|1,0,0]=3 3523 B15R2.7688 CC(O)C=Cc1ccc2c(c1)OCO2 271570a_200011019289_100000688060 [0,1,0,1,0,0|0,0,0]=2 3524 B15R2.7688 CC(O)C=Cc1ccc2ccoc2c1 271570a_200011019289_100000759542 [0,1,0,1,0,0|1,0,1]=4 3525 B15R2.7688 CC(O)C=Cc1ccc2cnoc2c1 271570a_200011019289_100009817722 [0,1,0,1,0,0|2,0,0]=4 3526 B15R2.7688 CC(O)C=Cc1ccc2ncoc2c1 271570a_200011019289_100009817590 [0,1,0,1,0,0|1,0,1]=4 3527 B15R2.7688 CC(O)C=Cc1ccc2occc2c1 271570a_200011019289_100012343831 [0,1,0,1,0,0|1,0,1]=4 3528 B15R2.7688 CC(O)C=Cc1ccc2ocnc2c1 271570a_200011019289_100009816175 [0,1,0,1,0,0|1,0,1]=4 3529 B15R2.7688 CC(O)C=Cc1ccc2oncc2c1 271570a_200011019289_100009817723 [0,1,0,1,0,0|2,0,0]=4 3530 B15R2.7688 CC(O)CNc1ccc2c(c1)OCO2 2230a_100000209953_100011218427 [0,1,0,1,0,0|1,0,1]=4 3531 B15R2.7688 CC(O)CNc1ccc2c(c1)OCO2 34a_100000209953_100011218427 [0,1,0,1,0,0|1,0,1]=4 3532 B15R2.7688 CC(O)COc1ccc2c(c1)OCO2 34a_100000210298_100011218427 [0,1,0,1,0,0|1,0,1]=4 3533 B15R2.7688 C[C@@H](O)CNc1ccc2c(c1)OCO2 2230a_100000209953_100009817552 [0,1,0,1,0,0|1,0,1]=4 3534 B15R2.7688 C[C@@H](O)CNc1ccc2c(c1)OCO2 34a_100000209953_100009817552 [0,1,0,1,0,0|1,0,1]=4 3535 B15R2.7688 C[C@@H](O)COc1ccc2c(c1)OCO2 34a_100000210298_100009817552 [0,1,0,1,0,0|1,0,1]=4 3536 B15R2.7688 [13CH3]C(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_200025704644 [0,1,0,1,0,0|0,0,2]=4 3537 B15R2.1350 CCCC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100000210303 [0,1,0,1,0,0|1,0,1]=4 3538 B15R2.1350 CCNC(=O)c1ccc2c(c1)OCO2 11a_100015525214_100000210863 [0,1,0,1,0,0|2,0,0]=4 3539 B15R2.1350 CCNC(=O)c1ccc2c(c1)OCO2 240690a_100015525214_100000210863 [0,1,0,1,0,0|2,0,0]=4 3540 B15R2.1350 CCNC(=O)c1ccc2c(c1)OCO2 527a_100015525214_100000210863 [0,1,0,1,0,0|2,0,0]=4 3541 B15R2.1350 CN(CCO)c1ccc2c(c1)OCO2 2230a_200016989596_200000210301 [0,1,0,1,0,0|1,0,1]=4 3542 B15R2.1350 CN(CCO)c1ccc2c(c1)OCO2 269982a_200016989596_200000210301 [0,1,0,1,0,0|1,0,1]=4 3543 B15R2.1350 CN(CCO)c1ccc2c(c1)OCO2 34a_200016989596_200000210301 [0,1,0,1,0,0|1,0,1]=4 3544 B15R2.1350 O=C(CCF)c1ccc2c(c1)OCO2 1458a_100000210863_100011217306 [0,1,0,1,0,0|1,0,1]=4 3545 B15R2.1350 O=C(CCO)c1ccc2c(c1)CCO2 1458a_100011207309_100000211926 [0,1,0,1,0,0|1,0,1]=4 3546 B15R2.1350 O=C(CCO)c1ccc2c(c1)OCO2 1458a_100000210863_100000211926 [0,1,0,1,0,0|0,0,1]=3 3547 B15R2.1350 [13CH3]N(CCO)c1ccc2c(c1)OCO2 2230a_200016989596_200025704644 [0,1,0,1,0,0|1,0,1]=4 3548 B15R2.1350 [13CH3]N(CCO)c1ccc2c(c1)OCO2 269982a_200016989596_200025704644 [0,1,0,1,0,0|1,0,1]=4 3549 B15R2.1350 [13CH3]N(CCO)c1ccc2c(c1)OCO2 34a_200016989596_200025704644 [0,1,0,1,0,0|1,0,1]=4 3550 B15R2.2234 CCc1cc(ccc1Br)C2=CCOC2 271570a_100009872500_100010244631 [0,1,0,1,0,0|2,0,0]=4 3551 B15R2.2234 CCc1cc(ccc1F)C2=CCOC2 271570a_100009872500_100010244625 [0,1,0,1,0,0|2,0,0]=4 3552 B15R2.2234 CCc1cc(ccc1N)C2=CCOC2 271570a_100009872500_100000686106 [0,1,0,1,0,0|2,0,0]=4 3553 B15R2.2234 CCc1cc(ccc1O)C2=CCCC2 271570a_100000089523_100012338938 [0,1,0,1,0,0|2,0,0]=4 3554 B15R2.2234 CCc1cc(ccc1O)C2=CCOC2 271570a_100009872500_100012338938 [0,1,0,1,0,0|1,0,0]=3 3555 B15R2.2234 CCc1cc(ccc1O)C2=COCC2 271570a_100000118173_100012338938 [0,1,0,1,0,0|1,0,1]=4 3556 B15R2.2234 CCc1cc(ccc1O)c2ccco2 271570a_100000750936_100012338938 [0,1,0,1,0,0|1,0,1]=4 3557 B15R2.2234 CCc1cc(ccc1O)c2ccoc2 271570a_100011218838_100012338938 [0,1,0,1,0,0|1,0,1]=4 3558 B15R2.2234 CNc1cc(ccc1C)C2=CCOC2 271570a_100009872500_100020629602 [0,1,0,1,0,0|2,0,0]=4 3559 B15R2.2234 CNc1cc(ccc1F)C2=CCOC2 271570a_100009872500_100011314990 [0,1,0,1,0,0|2,0,0]=4 3560 B15R2.2234 CNc1cc(ccc1N)C2=CCOC2 271570a_100009872500_100000694363 [0,1,0,1,0,0|2,0,0]=4 3561 B15R2.2234 COc1cc(c[nH]c1=O)C2=CCOC2 271570a_100009872500_100010125397 [0,1,0,1,0,0|1,0,1]=4 3562 B15R2.2234 COc1cc(ccc1Br)C2=CCCC2 271570a_100000089523_100012353699 [0,1,0,1,0,0|2,0,0]=4 3563 B15R2.2234 COc1cc(ccc1Br)C2=CCOC2 271570a_100009872500_100012353699 [0,1,0,1,0,0|1,0,0]=3 3564 B15R2.2234 COc1cc(ccc1Br)C2=COCC2 271570a_100000118173_100012353699 [0,1,0,1,0,0|1,0,1]=4 3565 B15R2.2234 COc1cc(ccc1Br)c2ccco2 271570a_100000750936_100012353699 [0,1,0,1,0,0|1,0,1]=4 3566 B15R2.2234 COc1cc(ccc1Br)c2ccoc2 271570a_100011218838_100012353699 [0,1,0,1,0,0|1,0,1]=4 3567 B15R2.2234 COc1cc(ccc1C)C2=CCCC2 271570a_100000089523_100011830276 [0,1,0,1,0,0|2,0,0]=4 3568 B15R2.2234 COc1cc(ccc1C)C2=CCOC2 271570a_100009872500_100011830276 [0,1,0,1,0,0|1,0,0]=3 3569 B15R2.2234 COc1cc(ccc1C)C2=COCC2 271570a_100000118173_100011830276 [0,1,0,1,0,0|1,0,1]=4 3570 B15R2.2234 COc1cc(ccc1C)c2ccco2 271570a_100000750936_100011830276 [0,1,0,1,0,0|1,0,1]=4 3571 B15R2.2234 COc1cc(ccc1C)c2ccco2 271570a_100010045235_100009814098 [0,1,0,1,0,0|1,0,1]=4 3572 B15R2.2234 COc1cc(ccc1C)c2ccoc2 271570a_100010045235_100011215275 [0,1,0,1,0,0|1,0,1]=4 3573 B15R2.2234 COc1cc(ccc1C)c2ccoc2 271570a_100011218838_100011830276 [0,1,0,1,0,0|1,0,1]=4 3574 B15R2.2234 COc1cc(ccc1C)c2cnco2 271570a_100010045235_100020591547 [0,1,0,1,0,0|1,0,1]=4 3575 B15R2.2234 COc1cc(ccc1C)c2cnoc2 271570a_100010045235_100009815712 [0,1,0,1,0,0|2,0,0]=4 3576 B15R2.2234 COc1cc(ccc1C)c2ncco2 271570a_100010045235_100011787736 [0,1,0,1,0,0|1,0,1]=4 3577 B15R2.2234 COc1cc(ccc1Cl)C2=CCCC2 271570a_100000089523_100011356853 [0,1,0,1,0,0|2,0,0]=4 3578 B15R2.2234 COc1cc(ccc1Cl)C2=CCOC2 271570a_100009872500_100011356853 [0,1,0,1,0,0|1,0,0]=3 3579 B15R2.2234 COc1cc(ccc1Cl)C2=COCC2 271570a_100000118173_100011356853 [0,1,0,1,0,0|1,0,1]=4 3580 B15R2.2234 COc1cc(ccc1Cl)c2ccco2 271570a_100000739040_100009814098 [0,1,0,1,0,0|1,0,1]=4 3581 B15R2.2234 COc1cc(ccc1Cl)c2ccco2 271570a_100000750936_100011356853 [0,1,0,1,0,0|1,0,1]=4 3582 B15R2.2234 COc1cc(ccc1Cl)c2ccoc2 271570a_100000739040_100011215275 [0,1,0,1,0,0|1,0,1]=4 3583 B15R2.2234 COc1cc(ccc1Cl)c2ccoc2 271570a_100011218838_100011356853 [0,1,0,1,0,0|1,0,1]=4 3584 B15R2.2234 COc1cc(ccc1Cl)c2cnco2 271570a_100000739040_100020591547 [0,1,0,1,0,0|1,0,1]=4 3585 B15R2.2234 COc1cc(ccc1Cl)c2cnoc2 271570a_100000739040_100009815712 [0,1,0,1,0,0|2,0,0]=4 3586 B15R2.2234 COc1cc(ccc1Cl)c2ncco2 271570a_100000739040_100011787736 [0,1,0,1,0,0|1,0,1]=4 3587 B15R2.2234 COc1cc(ccc1F)C2=CCCC2 271570a_100000089523_100011934186 [0,1,0,1,0,0|2,0,0]=4 3588 B15R2.2234 COc1cc(ccc1F)C2=CCOC2 271570a_100009872500_100011934186 [0,1,0,1,0,0|1,0,0]=3 3589 B15R2.2234 COc1cc(ccc1F)C2=COCC2 271570a_100000118173_100011934186 [0,1,0,1,0,0|1,0,1]=4 3590 B15R2.2234 COc1cc(ccc1F)c2ccco2 271570a_100000750936_100011934186 [0,1,0,1,0,0|1,0,1]=4 3591 B15R2.2234 COc1cc(ccc1F)c2ccco2 271570a_100011356763_100009814098 [0,1,0,1,0,0|1,0,1]=4 3592 B15R2.2234 COc1cc(ccc1F)c2ccoc2 271570a_100011218838_100011934186 [0,1,0,1,0,0|1,0,1]=4 3593 B15R2.2234 COc1cc(ccc1F)c2ccoc2 271570a_100011356763_100011215275 [0,1,0,1,0,0|1,0,1]=4 3594 B15R2.2234 COc1cc(ccc1F)c2cnco2 271570a_100011356763_100020591547 [0,1,0,1,0,0|1,0,1]=4 3595 B15R2.2234 COc1cc(ccc1F)c2cnoc2 271570a_100011356763_100009815712 [0,1,0,1,0,0|2,0,0]=4 3596 B15R2.2234 COc1cc(ccc1F)c2ncco2 271570a_100011356763_100011787736 [0,1,0,1,0,0|1,0,1]=4 3597 B15R2.2234 COc1cc(ccc1N)C2=CCCC2 271570a_100000089523_100011279103 [0,1,0,1,0,0|2,0,0]=4 3598 B15R2.2234 COc1cc(ccc1N)C2=CCOC2 271570a_100009872500_100011279103 [0,1,0,1,0,0|1,0,0]=3 3599 B15R2.2234 COc1cc(ccc1N)C2=COCC2 271570a_100000118173_100011279103 [0,1,0,1,0,0|1,0,1]=4 3600 B15R2.2234 COc1cc(ccc1N)c2ccco2 271570a_100000068085_100009814098 [0,1,0,1,0,0|1,0,1]=4 3601 B15R2.2234 COc1cc(ccc1N)c2ccco2 271570a_100000750936_100011279103 [0,1,0,1,0,0|1,0,1]=4 3602 B15R2.2234 COc1cc(ccc1N)c2ccoc2 271570a_100000068085_100011215275 [0,1,0,1,0,0|1,0,1]=4 3603 B15R2.2234 COc1cc(ccc1N)c2ccoc2 271570a_100011218838_100011279103 [0,1,0,1,0,0|1,0,1]=4 3604 B15R2.2234 COc1cc(ccc1N)c2cnco2 271570a_100000068085_100020591547 [0,1,0,1,0,0|1,0,1]=4 3605 B15R2.2234 COc1cc(ccc1N)c2cnoc2 271570a_100000068085_100009815712 [0,1,0,1,0,0|2,0,0]=4 3606 B15R2.2234 COc1cc(ccc1N)c2ncco2 271570a_100000068085_100011787736 [0,1,0,1,0,0|1,0,1]=4 3607 B15R2.2234 COc1cc(ccc1O)C2=CCCC2 271570a_100000089523_100000694246 [0,1,0,1,0,0|1,0,0]=3 3608 B15R2.2234 COc1cc(ccc1O)C2=CCOC2 271570a_100009872500_100000694246 [0,1,0,1,0,0|0,0,0]=2 3609 B15R2.2234 COc1cc(ccc1O)C2=COCC2 271570a_100000118173_100000694246 [0,1,0,1,0,0|0,0,1]=3 3610 B15R2.2234 COc1cc(ccc1O)c2c[nH]cn2 271570a_100000040328_100000756875 [0,1,0,1,0,0|1,0,1]=4 3611 B15R2.2234 COc1cc(ccc1O)c2cc[nH]c2 271570a_100000102155_100000694246 [0,1,0,1,0,0|1,0,1]=4 3612 B15R2.2234 COc1cc(ccc1O)c2cc[nH]n2 271570a_100000040328_100000062575 [0,1,0,1,0,0|1,0,1]=4 3613 B15R2.2234 COc1cc(ccc1O)c2cc[nH]n2 271570a_100000062414_100000694246 [0,1,0,1,0,0|1,0,1]=4 3614 B15R2.2234 COc1cc(ccc1O)c2ccco2 271570a_100000040328_100009814098 [0,1,0,1,0,0|0,0,1]=3 3615 B15R2.2234 COc1cc(ccc1O)c2ccco2 271570a_100000750936_100000694246 [0,1,0,1,0,0|0,0,1]=3 3616 B15R2.2234 COc1cc(ccc1O)c2cccs2 271570a_100000040328_100011215356 [0,1,0,1,0,0|0,1,1]=4 3617 B15R2.2234 COc1cc(ccc1O)c2cccs2 271570a_100000742291_100000694246 [0,1,0,1,0,0|0,1,1]=4 3618 B15R2.2234 COc1cc(ccc1O)c2ccoc2 271570a_100000040328_100011215275 [0,1,0,1,0,0|0,0,1]=3 3619 B15R2.2234 COc1cc(ccc1O)c2ccoc2 271570a_100011218838_100000694246 [0,1,0,1,0,0|0,0,1]=3 3620 B15R2.2234 COc1cc(ccc1O)c2ccsc2 271570a_100000040328_100000738268 [0,1,0,1,0,0|0,1,1]=4 3621 B15R2.2234 COc1cc(ccc1O)c2ccsc2 271570a_100011934443_100000694246 [0,1,0,1,0,0|0,1,1]=4 3622 B15R2.2234 COc1cc(ccc1O)c2ccsn2 271570a_100000040328_100009818082 [0,1,0,1,0,0|0,1,1]=4 3623 B15R2.2234 COc1cc(ccc1O)c2cn[nH]c2 271570a_100000040328_100000238712 [0,1,0,1,0,0|2,0,0]=4 3624 B15R2.2234 COc1cc(ccc1O)c2cn[nH]c2 271570a_100000041997_100000694246 [0,1,0,1,0,0|2,0,0]=4 3625 B15R2.2234 COc1cc(ccc1O)c2cnco2 271570a_100000040328_100020591547 [0,1,0,1,0,0|0,0,1]=3 3626 B15R2.2234 COc1cc(ccc1O)c2cncs2 271570a_100000040328_100011934649 [0,1,0,1,0,0|0,1,1]=4 3627 B15R2.2234 COc1cc(ccc1O)c2cncs2 271570a_100010231675_100000694246 [0,1,0,1,0,0|0,1,1]=4 3628 B15R2.2234 COc1cc(ccc1O)c2cnoc2 271570a_100000040328_100009815712 [0,1,0,1,0,0|1,0,0]=3 3629 B15R2.2234 COc1cc(ccc1O)c2cnsc2 271570a_100000040328_100009815736 [0,1,0,1,0,0|1,1,0]=4 3630 B15R2.2234 COc1cc(ccc1O)c2cscn2 271570a_100000040328_100000751502 [0,1,0,1,0,0|1,0,1]=4 3631 B15R2.2234 COc1cc(ccc1O)c2nc[nH]n2 271570a_100000040328_100000761765 [0,1,0,1,0,0|2,0,0]=4 3632 B15R2.2234 COc1cc(ccc1O)c2ncc[nH]2 271570a_100000040328_100025796157 [0,1,0,1,0,0|1,0,1]=4 3633 B15R2.2234 COc1cc(ccc1O)c2ncc[nH]2 271570a_100016988920_100000694246 [0,1,0,1,0,0|1,0,1]=4 3634 B15R2.2234 COc1cc(ccc1O)c2ncco2 271570a_100000040328_100011787736 [0,1,0,1,0,0|0,0,1]=3 3635 B15R2.2234 COc1cc(ccc1O)c2nccs2 271570a_100000040328_100000211983 [0,1,0,1,0,0|0,1,1]=4 3636 B15R2.2234 COc1cc(ccc1O)c2ncns2 271570a_100000040328_100000693119 [0,1,0,1,0,0|1,1,0]=4 3637 B15R2.2234 COc1cc(ccc1O)c2nncs2 271570a_100000040328_100000739804 [0,1,0,1,0,0|2,0,0]=4 3638 B15R2.2234 COc1cc(cnc1C)C2=CCOC2 271570a_100009872500_100010254219 [0,1,0,1,0,0|2,0,0]=4 3639 B15R2.2234 COc1cc(cnc1F)C2=CCOC2 271570a_100009872500_100010214931 [0,1,0,1,0,0|2,0,0]=4 3640 B15R2.2234 COc1cc(cnc1N)C2=CCOC2 271570a_100009872500_106354213024 [0,1,0,1,0,0|2,0,0]=4 3641 B15R2.2234 COc1cc(ncc1C)C2=CCOC2 271570a_100009872500_100010067687 [0,1,0,1,0,0|2,0,0]=4 3642 B15R2.2234 COc1cc(ncc1F)C2=CCOC2 271570a_100009872500_200010136270 [0,1,0,1,0,0|2,0,0]=4 3643 B15R2.2234 COc1cc(ncc1N)C2=CCOC2 271570a_100009872500_100009887741 [0,1,0,1,0,0|2,0,0]=4 3644 B15R2.2234 COc1nc(ccc1N)C2=CCOC2 271570a_100009872500_100000687816 [0,1,0,1,0,0|2,0,0]=4 3645 B15R2.2234 COc1nc(ccc1O)C2=CCCC2 271570a_100000089523_100010893133 [0,1,0,1,0,0|2,0,0]=4 3646 B15R2.2234 COc1nc(ccc1O)C2=CCOC2 271570a_100009872500_100010893133 [0,1,0,1,0,0|1,0,0]=3 3647 B15R2.2234 COc1nc(ccc1O)C2=COCC2 271570a_100000118173_100010893133 [0,1,0,1,0,0|1,0,1]=4 3648 B15R2.2234 COc1nc(ccc1O)c2ccco2 271570a_100000750936_100010893133 [0,1,0,1,0,0|1,0,1]=4 3649 B15R2.2234 COc1nc(ccc1O)c2ccoc2 271570a_100011218838_100010893133 [0,1,0,1,0,0|1,0,1]=4 3650 B15R2.2234 COc1nc(cnc1O)C2=CCOC2 271570a_100009872500_200010365344 [0,1,0,1,0,0|2,0,0]=4 3651 B15R2.2234 CSc1cc(ccc1F)C2=CCOC2 271570a_100009872500_100010341305 [0,1,0,1,0,0|1,1,0]=4 3652 B15R2.2234 N#Cc1cc(ccc1O)C2=CCOC2 271570a_100009872500_100000687585 [0,1,0,1,0,0|2,0,0]=4 3653 B15R2.2234 NCc1cc(ccc1O)C2=CCOC2 271570a_100009872500_100000730032 [0,1,0,1,0,0|2,0,0]=4 3654 B15R2.2234 O=Cc1cc(ccc1O)C2=CCOC2 271570a_100009872500_100000186750 [0,1,0,1,0,0|2,0,0]=4 3655 B15R2.2234 OCc1cc(ccc1O)C2=CCOC2 271570a_100009872500_100000184703 [0,1,0,1,0,0|2,0,0]=4 3656 B15R2.2393 COc1cc2c(ccnc2cc1O)O 271570a_203496583355_100010174314 [0,1,0,1,0,0|1,0,1]=4 3657 B15R2.4509 C=C(c1ccc(c(c1)OC)O)C2CC2 271570a_100010895485_100000694246 [0,1,0,1,0,0|1,0,1]=4 3658 B15R2.352 OCCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000211926 [0,1,0,1,0,0|1,0,1]=4 3659 B15R2.352 OCCNc1ccc2c(c1)OCCO2 34a_100020630400_100000211926 [0,1,0,1,0,0|1,0,1]=4 3660 B15R2.352 OCCOc1ccc2c(c1)OCCO2 34a_100000234341_100000211926 [0,1,0,1,0,0|1,0,1]=4 3661 B15R2.352 OCCSc1ccc2c(c1)OCCO2 62a_100000211926_100011216881 [0,1,0,1,0,0|1,0,1]=4 3662 B15R2.352 OCCSc1ccc2c(c1)OCCO2 62a_100011216881_100000211926 [0,1,0,1,0,0|1,0,1]=4 3663 B15R2.117 COc1cc2ccccc2cc1OC 34a_200011203880_200000210301 [0,1,0,1,0,0|1,0,1]=4 3664 B15R2.117 COc1cc2ccccc2cc1OC 7a_200011203880_200000210301 [0,1,0,1,0,0|1,0,1]=4 3665 B15R2.117 COc1cc2ccccc2cc1O[13CH3] 34a_200011203880_200025704644 [0,1,0,1,0,0|1,0,1]=4 3666 B15R2.117 COc1cc2ccccc2cc1O[13CH3] 7a_200011203880_200025704644 [0,1,0,1,0,0|1,0,1]=4 3667 B15R2.2039 COc1cc2ncnc(c2cc1O)O 271570a_203496583355_100010141198 [0,1,0,1,0,0|1,0,1]=4 3668 B15R2.2123 CCCC=Cc1ccc2c(c1)CCO2 271570a_100016258520_100000729065 [0,1,0,1,0,0|2,0,0]=4 3669 B15R2.2123 CCCC=Cc1ccc2c(c1)OCC2 271570a_100016258520_100009818566 [0,1,0,1,0,0|2,0,0]=4 3670 B15R2.2123 CCCC=Cc1ccc2c(c1)OCO2 271570a_100016258520_100000688060 [0,1,0,1,0,0|1,0,0]=3 3671 B15R2.2123 CCOC=Cc1ccc2c(c1)CCO2 271570a_100016256518_100000729065 [0,1,0,1,0,0|2,0,0]=4 3672 B15R2.2123 CCOC=Cc1ccc2c(c1)OCC2 271570a_100016256518_100009818566 [0,1,0,1,0,0|2,0,0]=4 3673 B15R2.2123 CCOC=Cc1ccc2c(c1)OCO2 271570a_100016256518_100000688060 [0,1,0,1,0,0|1,0,0]=3 3674 B15R2.2123 COCC=Cc1cc2c(cn1)OCC2 271570a_100016286323_102495363667 [0,1,0,1,0,0|2,0,0]=4 3675 B15R2.2123 COCC=Cc1ccc2c(c1)CCC2 271570a_100016286323_100000745594 [0,1,0,1,0,0|2,0,0]=4 3676 B15R2.2123 COCC=Cc1ccc2c(c1)CCN2 271570a_100016286323_100000026929 [0,1,0,1,0,0|2,0,0]=4 3677 B15R2.2123 COCC=Cc1ccc2c(c1)CCO2 271570a_100016286323_100000729065 [0,1,0,1,0,0|1,0,0]=3 3678 B15R2.2123 COCC=Cc1ccc2c(c1)NCC2 271570a_100016286323_100000754641 [0,1,0,1,0,0|2,0,0]=4 3679 B15R2.2123 COCC=Cc1ccc2c(c1)OCC2 271570a_100016286323_100009818566 [0,1,0,1,0,0|1,0,0]=3 3680 B15R2.2123 COCC=Cc1ccc2c(c1)OCO2 271570a_100016286323_100000688060 [0,1,0,1,0,0|0,0,0]=2 3681 B15R2.2123 COCC=Cc1ccc2ccoc2c1 271570a_100016286323_100000759542 [0,1,0,1,0,0|1,0,1]=4 3682 B15R2.2123 COCC=Cc1ccc2cnoc2c1 271570a_100016286323_100009817722 [0,1,0,1,0,0|2,0,0]=4 3683 B15R2.2123 COCC=Cc1ccc2ncoc2c1 271570a_100016286323_100009817590 [0,1,0,1,0,0|1,0,1]=4 3684 B15R2.2123 COCC=Cc1ccc2occc2c1 271570a_100016286323_100012343831 [0,1,0,1,0,0|1,0,1]=4 3685 B15R2.2123 COCC=Cc1ccc2ocnc2c1 271570a_100016286323_100009816175 [0,1,0,1,0,0|1,0,1]=4 3686 B15R2.2123 COCC=Cc1ccc2oncc2c1 271570a_100016286323_100009817723 [0,1,0,1,0,0|2,0,0]=4 3687 B15R2.2123 COCCNc1ccc2c(c1)OCO2 2230a_100000209953_100011201679 [0,1,0,1,0,0|1,0,1]=4 3688 B15R2.2123 COCCNc1ccc2c(c1)OCO2 34a_100000209953_100011201679 [0,1,0,1,0,0|1,0,1]=4 3689 B15R2.2123 COCCNc1ccc2c(c1)OCO2 34a_200016989596_200000210301 [0,1,0,1,0,0|1,0,1]=4 3690 B15R2.2123 COCCOc1ccc2c(c1)OCO2 34a_100000210298_100011201679 [0,1,0,1,0,0|1,0,1]=4 3691 B15R2.2123 COCNCc1ccc2c(c1)OCO2 2230a_100000210006_100000766300 [0,1,0,1,0,0|1,0,1]=4 3692 B15R2.2123 OCCCNc1ccc2c(c1)OCO2 2230a_100000209953_100000230001 [0,1,0,1,0,0|0,0,2]=4 3693 B15R2.2123 OCCCNc1ccc2c(c1)OCO2 34a_100000209953_100000230001 [0,1,0,1,0,0|0,0,2]=4 3694 B15R2.2123 OCCCOc1ccc2c(c1)OCO2 34a_100000210298_100000230001 [0,1,0,1,0,0|0,0,2]=4 3695 B15R2.2123 OCCNCc1ccc2c(c1)OCO2 2230a_100000210006_100000211926 [0,1,0,1,0,0|0,0,2]=4 3696 B15R2.2123 OCCNCc1ccc2c(c1)OCO2 34a_100000210006_100000211926 [0,1,0,1,0,0|0,0,2]=4 3697 B15R2.2123 OCCNCc1ccc2c(c1)OCO2 34a_100016990907_100000189651 [0,1,0,1,0,0|0,0,2]=4 3698 B15R2.2123 OCCOCc1ccc2c(c1)OCO2 34a_100000210967_100000211926 [0,1,0,1,0,0|0,0,2]=4 3699 B15R2.2123 [13CH3]OCCNc1ccc2c(c1)OCO2 34a_200016989596_200025704644 [0,1,0,1,0,0|1,0,1]=4 3700 B15R2.30442 COc1cc(ccc1O)NC2COC2 34a_100000726020_100009818527 [0,1,0,1,0,0|1,0,1]=4 3701 B15R2.1636 Cc1c(ccc2c1OCO2)SCCO 62a_100010335860_100000211926 [0,1,0,1,0,0|1,0,1]=4 3702 B15R2.1636 OCCSc1ccc2c(c1F)OCO2 62a_100010223184_100000211926 [0,1,0,1,0,0|1,0,1]=4 3703 B15R2.4343 CC(CO)Nc1ccc2c(c1)OCO2 2230a_100000209953_100012180447 [0,1,0,1,0,0|1,0,1]=4 3704 B15R2.4343 CC(CO)Nc1ccc2c(c1)OCO2 34a_100000209953_100012180447 [0,1,0,1,0,0|1,0,1]=4 3705 B15R2.4343 CC(CO)Oc1ccc2c(c1)OCO2 34a_100000210298_100012180447 [0,1,0,1,0,0|1,0,1]=4 3706 B15R2.4343 CCC(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_100000210202 [0,1,0,1,0,0|1,0,1]=4 3707 B15R2.4343 CCC(=O)Nc1ccc2c(c1)OCO2 11a_100000209953_100000210414 [0,1,0,1,0,0|2,0,0]=4 3708 B15R2.4343 CCC(=O)Nc1ccc2c(c1)OCO2 1626a_100000209953_100000210414 [0,1,0,1,0,0|2,0,0]=4 3709 B15R2.4343 CCC(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100000210414 [0,1,0,1,0,0|2,0,0]=4 3710 B15R2.4343 CCC(=O)Nc1ccc2c(c1)OCO2 527a_100000209953_100000210414 [0,1,0,1,0,0|2,0,0]=4 3711 B15R2.4343 O=C(CF)Cc1ccc2c(c1)OCO2 1458a_100000743733_100015361967 [0,1,0,1,0,0|1,0,1]=4 3712 B15R2.4343 O=C(CO)Nc1ccc2c(c1)CCO2 22a_100000736984_100000210174 [0,1,0,1,0,0|2,0,0]=4 3713 B15R2.4343 O=C(CO)Nc1ccc2c(c1)CCO2 527a_100000736984_100000210174 [0,1,0,1,0,0|2,0,0]=4 3714 B15R2.4343 O=C(CO)Nc1ccc2c(c1)OCO2 22a_100000209953_100000210174 [0,1,0,1,0,0|1,0,0]=3 3715 B15R2.4343 O=C(CO)Nc1ccc2c(c1)OCO2 527a_100000209953_100000210174 [0,1,0,1,0,0|1,0,0]=3 3716 B15R2.1503 Cc1cc2c(cc1NCCO)OCO2 2230a_100000066439_100000211926 [0,1,0,1,0,0|1,0,1]=4 3717 B15R2.1503 Cc1cc2c(cc1NCCO)OCO2 34a_100000066439_100000211926 [0,1,0,1,0,0|1,0,1]=4 3718 B15R2.1503 Cc1cc2c(cc1OCCO)OCO2 34a_100000145572_100000211926 [0,1,0,1,0,0|1,0,1]=4 3719 B15R2.1503 Cc1cc2c(cc1OCCO)OCO2 7a_100000145572_100000211926 [0,1,0,1,0,0|1,0,1]=4 3720 B15R2.1503 Nc1cc2c(cc1SCCO)OCO2 62a_100012557033_100000211926 [0,1,0,1,0,0|1,0,1]=4 3721 B15R2.1503 OCCNc1cc2c(cc1Cl)OCO2 34a_100000234339_100000211926 [0,1,0,1,0,0|1,0,1]=4 3722 B15R2.1503 OCCOc1cc2c(cc1Br)OCO2 34a_100010290809_100000211926 [0,1,0,1,0,0|1,0,1]=4 3723 B15R2.1503 OCCOc1cc2c(cc1Br)OCO2 7a_100010290809_100000211926 [0,1,0,1,0,0|1,0,1]=4 3724 B13R1.73 COc1cc(ccc1NCCO)O 34a_100015326901_100000211926 [0,0,0,0,1,1|1,0,1]=4 3725 B13R1.73 COc1cc(ccc1OCCO)O 271570a_203496583355_100012347953 [0,0,0,0,1,1|1,0,1]=4 3726 B13R1.73 COc1cc(ccc1SCCO)O 62a_100000211926_100011827694 [0,0,0,0,1,1|1,0,1]=4 3727 B13R1.3516 COc1c(cccc1SCCO)O 62a_100000211926_100010234590 [0,0,0,0,1,1|1,0,1]=4 3728 B13R1.3516 COc1c(ccnc1SCCO)O 62a_100000211926_100000104430 [0,0,0,0,1,1|1,0,1]=4 3729 B10R1.10 CC=Cc1cc(ccn1)C 271570a_100016259895_100000750283 [3,0,0,0,0,0|1,0,0]=4 3730 B10R1.10 CC=Cc1cc(ccn1)O 271570a_100016259895_100000762945 [3,0,0,0,0,0|1,0,0]=4 3731 B10R1.10 CC=Cc1ccc[n+](c1)C 271570a_100016259895_100009996589 [3,0,0,0,0,0|1,0,0]=4 3732 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [3,0,0,0,0,0|1,0,0]=4 3733 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [3,0,0,0,0,0|0,0,0]=3 3734 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [3,0,0,0,0,0|1,0,0]=4 3735 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [3,0,0,0,0,0|1,0,0]=4 3736 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [3,0,0,0,0,0|1,0,0]=4 3737 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [3,0,0,0,0,0|0,0,0]=3 3738 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [3,0,0,0,0,0|0,1,0]=4 3739 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [3,0,0,0,0,0|1,0,0]=4 3740 B10R1.10 CC=Cc1ccnc(c1)C 271570a_100016259895_100000758586 [3,0,0,0,0,0|1,0,0]=4 3741 B10R1.10 CC=Cc1cncc(c1)C 271570a_100016259895_100000760492 [3,0,0,0,0,0|1,0,0]=4 3742 B10R1.10 CC=Cc1cncc(c1)O 271570a_100016259895_100000754920 [3,0,0,0,0,0|1,0,0]=4 3743 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [3,0,0,0,0,0|0,0,1]=4 3744 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [3,0,0,0,0,0|1,0,0]=4 3745 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [3,0,0,0,0,0|1,0,0]=4 3746 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [3,0,0,0,0,0|1,0,0]=4 3747 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [3,0,0,0,0,0|1,0,0]=4 3748 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [3,0,0,0,0,0|1,0,0]=4 3749 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [3,0,0,0,0,0|0,0,0]=3 3750 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [3,0,0,0,0,0|0,0,0]=3 3751 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [3,0,0,0,0,0|0,0,0]=3 3752 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [3,0,0,0,0,0|0,0,0]=3 3753 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [3,0,0,0,0,0|0,0,0]=3 3754 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [3,0,0,0,0,0|0,1,0]=4 3755 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [3,0,0,0,0,0|0,1,0]=4 3756 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [3,0,0,0,0,0|0,1,0]=4 3757 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [3,0,0,0,0,0|0,1,0]=4 3758 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [3,0,0,0,0,0|0,1,0]=4 3759 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [3,0,0,0,0,0|1,0,0]=4 3760 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [3,0,0,0,0,0|1,0,0]=4 3761 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [3,0,0,0,0,0|1,0,0]=4 3762 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [3,0,0,0,0,0|0,0,1]=4 3763 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [3,0,0,0,0,0|0,0,1]=4 3764 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [3,0,0,0,0,0|0,0,1]=4 3765 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [3,0,0,0,0,0|0,0,1]=4 3766 B10R1.172 CNc1cccc(c1)CO 2230a_100000211919_200000210301 [3,0,0,0,0,0|1,0,0]=4 3767 B10R1.172 CNc1cccc(c1)CO 34a_100000211919_200000210301 [3,0,0,0,0,0|1,0,0]=4 3768 B10R1.172 CNc1cccc(c1)OC 34a_100000210024_200000210301 [3,0,0,0,0,0|1,0,0]=4 3769 B10R1.172 CNc1cccc(c1)OC 34a_100000756613_200000210301 [3,0,0,0,0,0|1,0,0]=4 3770 B10R1.172 CNc1cccc(c1)OC 7a_100000756613_200000210301 [3,0,0,0,0,0|1,0,0]=4 3771 B10R1.172 CNc1cccc(c1)O[13CH3] 34a_100000756613_200025704644 [3,0,0,0,0,0|1,0,0]=4 3772 B10R1.172 CNc1cccc(c1)O[13CH3] 7a_100000756613_200025704644 [3,0,0,0,0,0|1,0,0]=4 3773 B10R1.172 COc1cccc(c1)CBr 34a_100011660834_200000210301 [3,0,0,0,0,0|1,0,0]=4 3774 B10R1.172 COc1cccc(c1)CBr 7a_100011660834_200000210301 [3,0,0,0,0,0|1,0,0]=4 3775 B10R1.172 COc1cccc(c1)CCl 34a_100000084143_200000210301 [3,0,0,0,0,0|1,0,0]=4 3776 B10R1.172 COc1cccc(c1)CCl 7a_100000084143_200000210301 [3,0,0,0,0,0|1,0,0]=4 3777 B10R1.172 COc1cccc(c1)CN 34a_100000743036_200000210301 [3,0,0,0,0,0|1,0,0]=4 3778 B10R1.172 COc1cccc(c1)CO 34a_100011214949_200000210301 [3,0,0,0,0,0|0,0,0]=3 3779 B10R1.172 COc1cccc(c1)CO 7a_100011214949_200000210301 [3,0,0,0,0,0|0,0,0]=3 3780 B10R1.172 COc1cccc(c1)N[13CH3] 34a_100000210024_200025704644 [3,0,0,0,0,0|1,0,0]=4 3781 B10R1.172 COc1cccc(c1)OC 34a_100000211255_200000210301 [3,0,0,0,0,0|1,0,0]=4 3782 B10R1.172 COc1cccc(c1)OC 7a_100000211255_200000210301 [3,0,0,0,0,0|1,0,0]=4 3783 B10R1.172 COc1cccc(c1)O[13CH3] 34a_100000211255_200025704644 [3,0,0,0,0,0|1,0,0]=4 3784 B10R1.172 COc1cccc(c1)O[13CH3] 7a_100000211255_200025704644 [3,0,0,0,0,0|1,0,0]=4 3785 B10R1.172 COc1cccc(c1)SC 34a_100011265683_200000210301 [3,0,0,0,0,0|1,0,0]=4 3786 B10R1.172 COc1cccc(c1)SC 62a_200000210301_100000170001 [3,0,0,0,0,0|1,0,0]=4 3787 B10R1.172 COc1cccc(c1)SC 7a_100011265683_200000210301 [3,0,0,0,0,0|1,0,0]=4 3788 B10R1.172 COc1cccc(c1)S[13CH3] 62a_200025704644_100000170001 [3,0,0,0,0,0|1,0,0]=4 3789 B10R1.172 CSc1cccc(c1)CO 62a_100000687537_200000210301 [3,0,0,0,0,0|0,1,0]=4 3790 B10R1.172 CSc1cccc(c1)CO 62a_200000210301_100000687537 [3,0,0,0,0,0|0,1,0]=4 3791 B10R1.172 CSc1cccc(c1)O[13CH3] 34a_100011265683_200025704644 [3,0,0,0,0,0|1,0,0]=4 3792 B10R1.172 CSc1cccc(c1)O[13CH3] 7a_100011265683_200025704644 [3,0,0,0,0,0|1,0,0]=4 3793 B10R1.172 [13CH3]Nc1cccc(c1)CO 2230a_100000211919_200025704644 [3,0,0,0,0,0|1,0,0]=4 3794 B10R1.172 [13CH3]Nc1cccc(c1)CO 34a_100000211919_200025704644 [3,0,0,0,0,0|1,0,0]=4 3795 B10R1.172 [13CH3]Oc1cccc(c1)CBr 34a_100011660834_200025704644 [3,0,0,0,0,0|1,0,0]=4 3796 B10R1.172 [13CH3]Oc1cccc(c1)CBr 7a_100011660834_200025704644 [3,0,0,0,0,0|1,0,0]=4 3797 B10R1.172 [13CH3]Oc1cccc(c1)CCl 34a_100000084143_200025704644 [3,0,0,0,0,0|1,0,0]=4 3798 B10R1.172 [13CH3]Oc1cccc(c1)CCl 7a_100000084143_200025704644 [3,0,0,0,0,0|1,0,0]=4 3799 B10R1.172 [13CH3]Oc1cccc(c1)CN 34a_100000743036_200025704644 [3,0,0,0,0,0|1,0,0]=4 3800 B10R1.172 [13CH3]Oc1cccc(c1)CO 34a_100011214949_200025704644 [3,0,0,0,0,0|0,0,0]=3 3801 B10R1.172 [13CH3]Oc1cccc(c1)CO 7a_100011214949_200025704644 [3,0,0,0,0,0|0,0,0]=3 3802 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_100000687537_200025704644 [3,0,0,0,0,0|0,1,0]=4 3803 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_200025704644_100000687537 [3,0,0,0,0,0|0,1,0]=4 3804 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [3,0,0,0,0,0|0,0,0]=3 3805 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [3,0,0,0,0,0|1,0,0]=4 3806 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [3,0,0,0,0,0|1,0,0]=4 3807 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [3,0,0,0,0,0|1,0,0]=4 3808 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [3,0,0,0,0,0|1,0,0]=4 3809 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [3,0,0,0,0,0|1,0,0]=4 3810 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [3,0,0,0,0,0|0,0,0]=3 3811 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [3,0,0,0,0,0|1,0,0]=4 3812 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [3,0,0,0,0,0|0,0,1]=4 3813 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [3,0,0,0,0,0|1,0,0]=4 3814 B10R1.176 C=Cc1cc(c(cn1)O)C 271570a_100011290941_100000692680 [3,0,0,0,0,0|1,0,0]=4 3815 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [3,0,0,0,0,0|1,0,0]=4 3816 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [3,0,0,0,0,0|1,0,0]=4 3817 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [3,0,0,0,0,0|1,0,0]=4 3818 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [3,0,0,0,0,0|1,0,0]=4 3819 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [3,0,0,0,0,0|1,0,0]=4 3820 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [3,0,0,0,0,0|1,0,0]=4 3821 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [3,0,0,0,0,0|0,0,0]=3 3822 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [3,0,0,0,0,0|1,0,0]=4 3823 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [3,0,0,0,0,0|1,0,0]=4 3824 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [3,0,0,0,0,0|1,0,0]=4 3825 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [3,0,0,0,0,0|1,0,0]=4 3826 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [3,0,0,0,0,0|1,0,0]=4 3827 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [3,0,0,0,0,0|1,0,0]=4 3828 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [3,0,0,0,0,0|1,0,0]=4 3829 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [3,0,0,0,0,0|1,0,0]=4 3830 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [3,0,0,0,0,0|0,0,0]=3 3831 B10R1.176 C=Cc1ccc(c(n1)C)O 271570a_100011290941_100010233687 [3,0,0,0,0,0|1,0,0]=4 3832 B10R1.176 C=Cc1cnc(c(c1)C)O 271570a_100011290941_100000685391 [3,0,0,0,0,0|1,0,0]=4 3833 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [3,0,0,0,0,0|0,0,1]=4 3834 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [3,0,0,0,0,0|1,0,0]=4 3835 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [3,0,0,0,0,0|1,0,0]=4 3836 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [3,0,0,0,0,0|1,0,0]=4 3837 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [3,0,0,0,0,0|1,0,0]=4 3838 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [3,0,0,0,0,0|1,0,0]=4 3839 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [3,0,0,0,0,0|1,0,0]=4 3840 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [3,0,0,0,0,0|1,0,0]=4 3841 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [3,0,0,0,0,0|1,0,0]=4 3842 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [3,0,0,0,0,0|1,0,0]=4 3843 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [3,0,0,0,0,0|0,0,1]=4 3844 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [3,0,0,0,0,0|1,0,0]=4 3845 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [3,0,0,0,0,0|0,0,0]=3 3846 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [3,0,0,0,0,0|1,0,0]=4 3847 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [3,0,0,0,0,0|1,0,0]=4 3848 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [3,0,0,0,0,0|1,0,0]=4 3849 B10R1.176 Cc1cc(cnc1O)CO 271570a_203496583355_200000092119 [3,0,0,0,0,0|1,0,0]=4 3850 B10R1.176 Cc1cc(ncc1O)CO 271570a_203496583355_200010713146 [3,0,0,0,0,0|1,0,0]=4 3851 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [3,0,0,0,0,0|1,0,0]=4 3852 B10R1.176 Cc1nc(ccc1O)CO 271570a_203496583355_100010114280 [3,0,0,0,0,0|1,0,0]=4 3853 B10R1.176 Nc1cc(ccc1O)CO 271570a_203496583355_100012347568 [3,0,0,0,0,0|1,0,0]=4 3854 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [3,0,0,0,0,0|0,0,1]=4 3855 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [3,0,0,0,0,0|0,0,1]=4 3856 B10R1.176 OCc1ccc(c(c1)Cl)O 271570a_203496583355_100000718186 [3,0,0,0,0,0|1,0,0]=4 3857 B10R1.176 OCc1ccc(c(c1)F)O 271570a_203496583355_100011533735 [3,0,0,0,0,0|1,0,0]=4 3858 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [3,0,0,0,0,0|1,0,0]=4 3859 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [3,0,0,0,0,0|0,0,0]=3 3860 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [3,0,0,0,0,0|0,0,0]=3 3861 B10R1.176 OCc1ccc(c(n1)O)O 271570a_203496583355_200000118097 [3,0,0,0,0,0|1,0,0]=4 3862 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [3,0,0,0,0,0|1,0,0]=4 3863 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [3,0,0,0,0,0|1,0,0]=4 3864 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [3,0,0,0,0,0|1,0,0]=4 3865 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [3,0,0,0,0,0|1,0,0]=4 3866 B10R1.30 COc1cc(ccc1Br)C 34a_100012002257_200000210301 [3,0,0,0,0,0|1,0,0]=4 3867 B10R1.30 COc1cc(ccc1Br)C 7a_100012002257_200000210301 [3,0,0,0,0,0|1,0,0]=4 3868 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [3,0,0,0,0,0|1,0,0]=4 3869 B10R1.30 COc1cc(ccc1C)C 34a_100000210931_200000210301 [3,0,0,0,0,0|1,0,0]=4 3870 B10R1.30 COc1cc(ccc1C)C 7a_100000210931_200000210301 [3,0,0,0,0,0|1,0,0]=4 3871 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [3,0,0,0,0,0|1,0,0]=4 3872 B10R1.30 COc1cc(ccc1Cl)C 34a_100000211493_200000210301 [3,0,0,0,0,0|1,0,0]=4 3873 B10R1.30 COc1cc(ccc1Cl)C 7a_100000211493_200000210301 [3,0,0,0,0,0|1,0,0]=4 3874 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [3,0,0,0,0,0|1,0,0]=4 3875 B10R1.30 COc1cc(ccc1F)C 34a_100000759540_200000210301 [3,0,0,0,0,0|1,0,0]=4 3876 B10R1.30 COc1cc(ccc1F)C 7a_100000759540_200000210301 [3,0,0,0,0,0|1,0,0]=4 3877 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [3,0,0,0,0,0|1,0,0]=4 3878 B10R1.30 COc1cc(ccc1N)C 34a_100000211527_200000210301 [3,0,0,0,0,0|1,0,0]=4 3879 B10R1.30 COc1cc(ccc1N)C 7a_100000211527_200000210301 [3,0,0,0,0,0|1,0,0]=4 3880 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [3,0,0,0,0,0|1,0,0]=4 3881 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [3,0,0,0,0,0|1,0,0]=4 3882 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [3,0,0,0,0,0|0,0,0]=3 3883 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [3,0,0,0,0,0|1,0,0]=4 3884 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [3,0,0,0,0,0|1,0,0]=4 3885 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [3,0,0,0,0,0|1,0,0]=4 3886 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [3,0,0,0,0,0|0,0,0]=3 3887 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [3,0,0,0,0,0|0,0,0]=3 3888 B10R1.30 COc1cc(cnc1O)C 271570a_203496583355_200000118316 [3,0,0,0,0,0|1,0,0]=4 3889 B10R1.30 COc1cc(ncc1O)C 271570a_203496583355_100000717771 [3,0,0,0,0,0|1,0,0]=4 3890 B10R1.30 COc1nc(ccc1O)C 271570a_203496583355_100010138632 [3,0,0,0,0,0|1,0,0]=4 3891 B10R1.30 COc1nc(ccc1O)O 271570a_203496583355_100010893133 [3,0,0,0,0,0|1,0,0]=4 3892 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [3,0,0,0,0,0|0,1,0]=4 3893 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [3,0,0,0,0,0|0,1,0]=4 3894 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [3,0,0,0,0,0|0,1,0]=4 3895 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [3,0,0,0,0,0|0,1,0]=4 3896 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [3,0,0,0,0,0|1,0,0]=4 3897 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 34a_100012002257_200025704644 [3,0,0,0,0,0|1,0,0]=4 3898 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 7a_100012002257_200025704644 [3,0,0,0,0,0|1,0,0]=4 3899 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 34a_100000210931_200025704644 [3,0,0,0,0,0|1,0,0]=4 3900 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 7a_100000210931_200025704644 [3,0,0,0,0,0|1,0,0]=4 3901 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 34a_100000211493_200025704644 [3,0,0,0,0,0|1,0,0]=4 3902 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 7a_100000211493_200025704644 [3,0,0,0,0,0|1,0,0]=4 3903 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 34a_100000759540_200025704644 [3,0,0,0,0,0|1,0,0]=4 3904 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 7a_100000759540_200025704644 [3,0,0,0,0,0|1,0,0]=4 3905 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 34a_100000211527_200025704644 [3,0,0,0,0,0|1,0,0]=4 3906 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 7a_100000211527_200025704644 [3,0,0,0,0,0|1,0,0]=4 3907 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [3,0,0,0,0,0|0,1,0]=4 3908 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [3,0,0,0,0,0|0,1,0]=4 3909 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [3,0,0,0,0,0|0,1,0]=4 3910 B12R1.41 CC=Cc1cc(cc(c1)CC)N 271570a_100016259895_100010074814 [2,1,0,0,0,0|1,0,0]=4 3911 B12R1.41 CC=Cc1cc(cc(c1)NC)F 271570a_100016259895_106741647397 [2,1,0,0,0,0|1,0,0]=4 3912 B12R1.41 CC=Cc1cc(cc(c1)OC)Br 271570a_100016259895_100010141301 [2,1,0,0,0,0|0,0,0]=3 3913 B12R1.41 CC=Cc1cc(cc(c1)OC)C 271570a_100016259895_100010187550 [2,1,0,0,0,0|0,0,0]=3 3914 B12R1.41 CC=Cc1cc(cc(c1)OC)Cl 271570a_100016259895_100010147680 [2,1,0,0,0,0|0,0,0]=3 3915 B12R1.41 CC=Cc1cc(cc(c1)OC)F 271570a_100016259895_100011934182 [2,1,0,0,0,0|0,0,0]=3 3916 B12R1.41 CC=Cc1cc(cc(c1)OC)N 271570a_100016259895_100000750983 [2,1,0,0,0,0|0,0,0]=3 3917 B12R1.41 CC=Cc1cc(cc(c1)OC)O 271570a_100016259895_100010068927 [2,1,0,0,0,0|0,0,0]=3 3918 B12R1.41 CC=Cc1cc(cc(c1)SC)C 271570a_100016259895_200010709730 [2,1,0,0,0,0|0,1,0]=4 3919 B12R1.41 CC=Cc1cc(cc(c1)SC)F 271570a_100016259895_200010245467 [2,1,0,0,0,0|0,1,0]=4 3920 B12R1.41 CC=Cc1cc(cc(n1)C)OC 271570a_100016259895_200009849800 [2,1,0,0,0,0|1,0,0]=4 3921 B12R1.41 CC=Cc1cc(cc(n1)N)OC 271570a_100016259895_100010257270 [2,1,0,0,0,0|1,0,0]=4 3922 B12R1.41 CC=Cc1cc(cc(n1)OC)C 271570a_100016259895_100009856763 [2,1,0,0,0,0|1,0,0]=4 3923 B12R1.41 CC=Cc1cc(cc(n1)OC)N 271570a_100016259895_100012187057 [2,1,0,0,0,0|1,0,0]=4 3924 B12R1.41 CC=Cc1cc(nc(c1)OC)C 271570a_100016259895_100010067692 [2,1,0,0,0,0|1,0,0]=4 3925 B12R1.41 CC=Cc1cc(nc(c1)OC)N 271570a_100016259895_100010136845 [2,1,0,0,0,0|1,0,0]=4 3926 B12R1.270 CC=Cc1cc(ccc1Br)OC 271570a_100016259895_100009992028 [2,1,0,0,0,0|0,0,0]=3 3927 B12R1.270 CC=Cc1cc(ccc1C)NC 271570a_100016259895_100000707694 [2,1,0,0,0,0|1,0,0]=4 3928 B12R1.270 CC=Cc1cc(ccc1C)OC 271570a_100016259895_100012349166 [2,1,0,0,0,0|0,0,0]=3 3929 B12R1.270 CC=Cc1cc(ccc1Cl)OC 271570a_100016259895_100011356938 [2,1,0,0,0,0|0,0,0]=3 3930 B12R1.270 CC=Cc1cc(ccc1F)CC 271570a_100016259895_200010244628 [2,1,0,0,0,0|1,0,0]=4 3931 B12R1.270 CC=Cc1cc(ccc1F)OC 271570a_100016259895_100000699733 [2,1,0,0,0,0|0,0,0]=3 3932 B12R1.270 CC=Cc1cc(ccc1F)SC 271570a_100016259895_200010708804 [2,1,0,0,0,0|0,1,0]=4 3933 B12R1.270 CC=Cc1cc(ccc1N)CC 271570a_100016259895_100012339725 [2,1,0,0,0,0|1,0,0]=4 3934 B12R1.270 CC=Cc1cc(ccc1N)OC 271570a_100016259895_100015195136 [2,1,0,0,0,0|0,0,0]=3 3935 B12R1.270 CC=Cc1cc(ccc1O)CC 271570a_100016259895_100012339963 [2,1,0,0,0,0|1,0,0]=4 3936 B12R1.270 CC=Cc1cc(ccc1O)OC 271570a_100016259895_100000685887 [2,1,0,0,0,0|0,0,0]=3 3937 B12R1.270 CC=Cc1cc(cnc1F)OC 271570a_100016259895_100010068374 [2,1,0,0,0,0|1,0,0]=4 3938 B12R1.270 CC=Cc1cc(ncc1C)OC 271570a_100016259895_100010068546 [2,1,0,0,0,0|1,0,0]=4 3939 B12R1.270 CC=Cc1cc(ncc1Cl)OC 271570a_100016259895_100010068019 [2,1,0,0,0,0|1,0,0]=4 3940 B12R1.270 CC=Cc1cc(ncc1F)OC 271570a_100016259895_100010160775 [2,1,0,0,0,0|1,0,0]=4 3941 B12R1.270 CC=Cc1nc(ccc1N)OC 271570a_100016259895_100000069805 [2,1,0,0,0,0|1,0,0]=4 3942 B12R1.270 COc1ccc(c(c1)CCO)O 271570a_203496583355_100012259501 [2,1,0,0,0,0|0,0,1]=4 3943 B12R1.278 CC#Cc1cccc(c1)C=CC 271570a_100016259895_200009843338 [2,1,0,0,0,0|1,0,0]=4 3944 B12R1.278 CC=Cc1cc(ccn1)OCC 271570a_100016259895_100011922638 [2,1,0,0,0,0|1,0,0]=4 3945 B12R1.278 CC=Cc1cccc(c1)CCC 271570a_100016259895_100000694964 [2,1,0,0,0,0|1,0,0]=4 3946 B12R1.278 CC=Cc1cccc(c1)CCN 271570a_100016259895_100011207229 [2,1,0,0,0,0|1,0,0]=4 3947 B12R1.278 CC=Cc1cccc(c1)CCO 271570a_100016259895_100011217444 [2,1,0,0,0,0|1,0,0]=4 3948 B12R1.278 CC=Cc1cccc(c1)CNC 271570a_100016259895_100000187585 [2,1,0,0,0,0|1,0,0]=4 3949 B12R1.278 CC=Cc1cccc(c1)COC 271570a_100016259895_100011493687 [2,1,0,0,0,0|0,0,0]=3 3950 B12R1.278 CC=Cc1cccc(c1)NCC 271570a_100016259895_100000738899 [2,1,0,0,0,0|1,0,0]=4 3951 B12R1.278 CC=Cc1cccc(c1)OCC 271570a_100016259895_100000170002 [2,1,0,0,0,0|0,0,0]=3 3952 B12R1.278 CC=Cc1cccc(c1)SCC 271570a_100016259895_100000703699 [2,1,0,0,0,0|0,1,0]=4 3953 B12R1.278 CC=Cc1cccc(n1)OCC 271570a_100016259895_100000752924 [2,1,0,0,0,0|1,0,0]=4 3954 B12R1.278 CC=Cc1ccnc(c1)OCC 271570a_100016259895_100009995528 [2,1,0,0,0,0|1,0,0]=4 3955 B12R1.278 CC=Cc1cncc(c1)OCC 271570a_100016259895_100012029586 [2,1,0,0,0,0|1,0,0]=4 3956 B12R1.278 CCOc1cccc(c1)CCO 34a_100011215281_100000210202 [2,1,0,0,0,0|0,0,1]=4 3957 B12R1.278 CCOc1cccc(c1)CCO 7a_100011215281_100000210202 [2,1,0,0,0,0|0,0,1]=4 3958 B12R1.278 OCCc1cccc(c1)OCF 34a_100011215281_100015361967 [2,1,0,0,0,0|0,0,1]=4 3959 B12R1.278 OCCc1cccc(c1)OCF 7a_100011215281_100015361967 [2,1,0,0,0,0|0,0,1]=4 3960 B12R1.279 C=C(C)c1cccc(c1)C=CC 271570a_100016259895_100012123953 [2,1,0,0,0,0|1,0,0]=4 3961 B12R1.279 CC=Cc1cccc(c1)C(=O)C 271570a_100016259895_100000210093 [2,1,0,0,0,0|1,0,0]=4 3962 B12R1.279 CC=Cc1cccc(c1)C(C)C 271570a_100016259895_100011214899 [2,1,0,0,0,0|1,0,0]=4 3963 B12R1.279 CC=Cc1cccc(c1)C(C)N 271570a_100016259895_100020642005 [2,1,0,0,0,0|1,0,0]=4 3964 B12R1.279 CC=Cc1cccc(c1)C(C)O 271570a_100016259895_100000246457 [2,1,0,0,0,0|1,0,0]=4 3965 B12R1.279 CC=Cc1cccc(c1)N(C)C 271570a_100016259895_100011215952 [2,1,0,0,0,0|1,0,0]=4 3966 B12R1.279 CC=Cc1cccc(c1)S(=O)C 271570a_100016259895_100009816267 [2,1,0,0,0,0|0,1,0]=4 3967 B12R1.280 CC=Cc1cccc(c1C)OC 271570a_100016259895_100010002647 [2,1,0,0,0,0|0,0,0]=3 3968 B12R1.280 CC=Cc1cccc(c1Cl)OC 271570a_100016259895_100010147677 [2,1,0,0,0,0|0,0,0]=3 3969 B12R1.280 CC=Cc1cccc(c1F)OC 271570a_100016259895_100010185846 [2,1,0,0,0,0|0,0,0]=3 3970 B12R1.280 CC=Cc1cccc(c1N)NC 271570a_100016259895_100000695761 [2,1,0,0,0,0|1,0,0]=4 3971 B12R1.280 CC=Cc1cccc(c1N)OC 271570a_100016259895_100000708083 [2,1,0,0,0,0|0,0,0]=3 3972 B12R1.280 CC=Cc1cccc(c1O)CC 271570a_100016259895_200010001580 [2,1,0,0,0,0|1,0,0]=4 3973 B12R1.280 CC=Cc1cccc(c1O)OC 271570a_100016259895_100000686866 [2,1,0,0,0,0|0,0,0]=3 3974 B12R1.280 CC=Cc1ccnc(c1C)OC 271570a_100016259895_100010068544 [2,1,0,0,0,0|1,0,0]=4 3975 B12R1.280 CC=Cc1ccnc(c1F)OC 271570a_100016259895_100009885657 [2,1,0,0,0,0|1,0,0]=4 3976 B12R1.280 CC=Cc1cncc(c1C)OC 271570a_100016259895_100010136163 [2,1,0,0,0,0|1,0,0]=4 3977 B12R1.280 CC=Cc1nccc(c1C)OC 271570a_100016259895_100010067686 [2,1,0,0,0,0|1,0,0]=4 3978 B12R1.280 CC=Cc1nccc(c1F)OC 271570a_100016259895_200010136267 [2,1,0,0,0,0|1,0,0]=4 3979 B12R1.280 CC=Cc1nccc(c1N)OC 271570a_100016259895_100000100113 [2,1,0,0,0,0|1,0,0]=4 3980 B12R1.435 CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210202 [2,1,0,0,0,0|0,0,1]=4 3981 B12R1.435 CCC(=O)c1cccc(c1)OC 34a_100011996911_200000210301 [2,1,0,0,0,0|0,0,1]=4 3982 B12R1.435 CCC(=O)c1cccc(c1)OC 7a_100011996911_200000210301 [2,1,0,0,0,0|0,0,1]=4 3983 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 34a_100011996911_200025704644 [2,1,0,0,0,0|0,0,1]=4 3984 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 7a_100011996911_200025704644 [2,1,0,0,0,0|0,0,1]=4 3985 B12R1.435 CNC(=O)c1cccc(c1)OC 11a_106832991635_100000188888 [2,1,0,0,0,0|1,0,0]=4 3986 B12R1.435 CNC(=O)c1cccc(c1)OC 1626a_100102657272_100000188888 [2,1,0,0,0,0|1,0,0]=4 3987 B12R1.435 CNC(=O)c1cccc(c1)OC 240690a_100102657272_100000188888 [2,1,0,0,0,0|1,0,0]=4 3988 B12R1.435 CNC(=O)c1cccc(c1)OC 34a_100000159807_200000210301 [2,1,0,0,0,0|1,0,0]=4 3989 B12R1.435 CNC(=O)c1cccc(c1)OC 527a_100102657272_100000188888 [2,1,0,0,0,0|1,0,0]=4 3990 B12R1.435 CNC(=O)c1cccc(c1)OC 7a_100000159807_200000210301 [2,1,0,0,0,0|1,0,0]=4 3991 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 34a_100000159807_200025704644 [2,1,0,0,0,0|1,0,0]=4 3992 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 7a_100000159807_200025704644 [2,1,0,0,0,0|1,0,0]=4 3993 B12R1.435 COC(=O)c1cccc(c1)OC 34a_100000150331_200000210301 [2,1,0,0,0,0|1,0,0]=4 3994 B12R1.435 COC(=O)c1cccc(c1)OC 7a_100000150331_200000210301 [2,1,0,0,0,0|1,0,0]=4 3995 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 34a_100000150331_200025704644 [2,1,0,0,0,0|1,0,0]=4 3996 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 7a_100000150331_200025704644 [2,1,0,0,0,0|1,0,0]=4 3997 B12R1.435 COc1cccc(c1)C(=NO)N 34a_100000738085_200000210301 [2,1,0,0,0,0|1,0,0]=4 3998 B12R1.435 COc1cccc(c1)C(=O)CBr 7a_100009813753_200000210301 [2,1,0,0,0,0|1,0,0]=4 3999 B12R1.435 COc1cccc(c1)C(=O)CF 1458a_100000188888_100015361967 [2,1,0,0,0,0|1,0,0]=4 4000 B12R1.435 COc1cccc(c1)C(N)CO 34a_100025717460_200000210301 [2,1,0,0,0,0|0,0,1]=4 4001 B12R1.435 [13CH3]Oc1cccc(c1)C(=NO)N 34a_100000738085_200025704644 [2,1,0,0,0,0|1,0,0]=4 4002 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)CBr 7a_100009813753_200025704644 [2,1,0,0,0,0|1,0,0]=4 4003 B12R1.435 [13CH3]Oc1cccc(c1)C(N)CO 34a_100025717460_200025704644 [2,1,0,0,0,0|0,0,1]=4 4004 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [2,1,0,0,0,0|1,0,0]=4 4005 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [2,1,0,0,0,0|1,0,0]=4 4006 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [2,1,0,0,0,0|1,0,0]=4 4007 B12R1.438 CCc1cccc(c1)C=C(C)C 271570a_100102525489_100000684523 [2,1,0,0,0,0|1,0,0]=4 4008 B12R1.438 CNc1cccc(c1)C=C(C)C 271570a_100102525489_100000219648 [2,1,0,0,0,0|1,0,0]=4 4009 B12R1.438 COc1cc(ccn1)C=C(C)C 271570a_100102525489_100000117307 [2,1,0,0,0,0|1,0,0]=4 4010 B12R1.438 COc1cccc(c1)C=C(C)C 271570a_100102525489_100000170001 [2,1,0,0,0,0|0,0,0]=3 4011 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [2,1,0,0,0,0|0,0,1]=4 4012 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [2,1,0,0,0,0|0,0,1]=4 4013 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [2,1,0,0,0,0|0,0,1]=4 4014 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [2,1,0,0,0,0|1,0,0]=4 4015 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [2,1,0,0,0,0|1,0,0]=4 4016 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [2,1,0,0,0,0|1,0,0]=4 4017 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [2,1,0,0,0,0|1,0,0]=4 4018 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [2,1,0,0,0,0|1,0,0]=4 4019 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [2,1,0,0,0,0|1,0,0]=4 4020 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [2,1,0,0,0,0|1,0,0]=4 4021 B12R1.438 COc1cccc(n1)C=C(C)C 271570a_100102525489_100000760917 [2,1,0,0,0,0|1,0,0]=4 4022 B12R1.438 COc1ccnc(c1)C=C(C)C 271570a_100102525489_100011216251 [2,1,0,0,0,0|1,0,0]=4 4023 B12R1.438 COc1cncc(c1)C=C(C)C 271570a_100102525489_100000684773 [2,1,0,0,0,0|1,0,0]=4 4024 B12R1.438 CSc1cccc(c1)C=C(C)C 271570a_100102525489_100011215954 [2,1,0,0,0,0|0,1,0]=4 4025 B12R1.19 CC(=Cc1cc(c(cn1)O)C)C 271570a_100102525489_100000692680 [2,1,0,0,0,0|1,0,0]=4 4026 B12R1.19 CC(=Cc1ccc(c(c1)Br)O)C 271570a_100102525489_100012361655 [2,1,0,0,0,0|1,0,0]=4 4027 B12R1.19 CC(=Cc1ccc(c(c1)C)Br)C 271570a_100102525489_100009813585 [2,1,0,0,0,0|1,0,0]=4 4028 B12R1.19 CC(=Cc1ccc(c(c1)C)C)C 271570a_100102525489_100011215607 [2,1,0,0,0,0|1,0,0]=4 4029 B12R1.19 CC(=Cc1ccc(c(c1)C)Cl)C 271570a_100102525489_100000049509 [2,1,0,0,0,0|1,0,0]=4 4030 B12R1.19 CC(=Cc1ccc(c(c1)C)F)C 271570a_100102525489_100011218330 [2,1,0,0,0,0|1,0,0]=4 4031 B12R1.19 CC(=Cc1ccc(c(c1)C)N)C 271570a_100102525489_100000211769 [2,1,0,0,0,0|1,0,0]=4 4032 B12R1.19 CC(=Cc1ccc(c(c1)C)O)C 271570a_100102525489_100000186361 [2,1,0,0,0,0|0,0,0]=3 4033 B12R1.19 CC(=Cc1ccc(c(c1)Cl)O)C 271570a_100102525489_100012360047 [2,1,0,0,0,0|1,0,0]=4 4034 B12R1.19 CC(=Cc1ccc(c(c1)F)O)C 271570a_100102525489_100000185481 [2,1,0,0,0,0|1,0,0]=4 4035 B12R1.19 CC(=Cc1ccc(c(c1)N)O)C 271570a_100102525489_100000752626 [2,1,0,0,0,0|1,0,0]=4 4036 B12R1.19 CC(=Cc1ccc(c(c1)O)Br)C 271570a_100102525489_100012356990 [2,1,0,0,0,0|1,0,0]=4 4037 B12R1.19 CC(=Cc1ccc(c(c1)O)C)C 271570a_100102525489_100000766334 [2,1,0,0,0,0|1,0,0]=4 4038 B12R1.19 CC(=Cc1ccc(c(c1)O)Cl)C 271570a_100102525489_100011356854 [2,1,0,0,0,0|1,0,0]=4 4039 B12R1.19 CC(=Cc1ccc(c(c1)O)F)C 271570a_100102525489_100000686035 [2,1,0,0,0,0|1,0,0]=4 4040 B12R1.19 CC(=Cc1ccc(c(c1)O)N)C 271570a_100102525489_100000739049 [2,1,0,0,0,0|1,0,0]=4 4041 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C 271570a_100102525489_100009813601 [2,1,0,0,0,0|0,0,0]=3 4042 B12R1.19 CC(=Cc1ccc(c(n1)C)O)C 271570a_100102525489_100010233687 [2,1,0,0,0,0|1,0,0]=4 4043 B12R1.19 CC(=Cc1cnc(c(c1)C)O)C 271570a_100102525489_100000685391 [2,1,0,0,0,0|1,0,0]=4 4044 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [2,1,0,0,0,0|0,0,1]=4 4045 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [2,1,0,0,0,0|0,0,1]=4 4046 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [2,1,0,0,0,0|0,0,1]=4 4047 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [2,1,0,0,0,0|1,0,0]=4 4048 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [2,1,0,0,0,0|1,0,0]=4 4049 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [2,1,0,0,0,0|1,0,0]=4 4050 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [2,1,0,0,0,0|1,0,0]=4 4051 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [2,1,0,0,0,0|1,0,0]=4 4052 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [2,1,0,0,0,0|1,0,0]=4 4053 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [2,1,0,0,0,0|0,0,1]=4 4054 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [2,1,0,0,0,0|0,0,1]=4 4055 B12R1.44 CC=Cc1cc(c(c(c1)Br)O)C 271570a_100016259895_100010982682 [2,1,0,0,0,0|0,0,0]=3 4056 B12R1.44 CC=Cc1cc(c(c(c1)C)C)C 271570a_100016259895_200011015895 [2,1,0,0,0,0|1,0,0]=4 4057 B12R1.44 CC=Cc1cc(c(c(c1)C)F)C 271570a_100016259895_100009814169 [2,1,0,0,0,0|1,0,0]=4 4058 B12R1.44 CC=Cc1cc(c(c(c1)C)N)C 271570a_100016259895_100000737279 [2,1,0,0,0,0|1,0,0]=4 4059 B12R1.44 CC=Cc1cc(c(c(c1)C)O)C 271570a_100016259895_100000187306 [2,1,0,0,0,0|0,0,0]=3 4060 B12R1.44 CC=Cc1cc(c(c(c1)Cl)O)C 271570a_100016259895_200015900153 [2,1,0,0,0,0|0,0,0]=3 4061 B12R1.44 CC=Cc1cc(c(c(c1)Cl)O)Cl 271570a_100016259895_100012339652 [2,1,0,0,0,0|1,0,0]=4 4062 B12R1.44 CC=Cc1cc(c(c(c1)F)F)C 271570a_100016259895_200011068660 [2,1,0,0,0,0|1,0,0]=4 4063 B12R1.44 CC=Cc1cc(c(c(c1)F)F)O 271570a_100016259895_100000709865 [2,1,0,0,0,0|1,0,0]=4 4064 B12R1.44 CC=Cc1cc(c(c(c1)F)N)C 271570a_100016259895_100000709789 [2,1,0,0,0,0|1,0,0]=4 4065 B12R1.44 CC=Cc1cc(c(c(c1)F)N)O 271570a_100016259895_100015475841 [2,1,0,0,0,0|1,0,0]=4 4066 B12R1.44 CC=Cc1cc(c(c(c1)F)O)F 271570a_100016259895_100011216917 [2,1,0,0,0,0|1,0,0]=4 4067 B12R1.44 CC=Cc1cc(c(c(c1)F)O)N 271570a_100016259895_100011217383 [2,1,0,0,0,0|1,0,0]=4 4068 B12R1.44 CC=Cc1cc(c(c(c1)N)F)C 271570a_100016259895_100010381932 [2,1,0,0,0,0|1,0,0]=4 4069 B12R1.44 CC=Cc1cc(c(c(c1)N)N)C 271570a_100016259895_100000688557 [2,1,0,0,0,0|1,0,0]=4 4070 B12R1.44 CC=Cc1cc(c(c(c1)N)O)C 271570a_100016259895_100011825904 [2,1,0,0,0,0|0,0,0]=3 4071 B12R1.44 CC=Cc1cc(c(c(c1)O)N)C 271570a_100016259895_100010371313 [2,1,0,0,0,0|1,0,0]=4 4072 B12R1.288 CC=Cc1cc(c(cn1)CO)C 271570a_100016259895_100010277336 [2,1,0,0,0,0|1,0,0]=4 4073 B12R1.288 CC=Cc1cc(c(cn1)OC)O 271570a_100016259895_100010264082 [2,1,0,0,0,0|1,0,0]=4 4074 B12R1.288 CC=Cc1ccc(c(c1)Br)CO 271570a_100016259895_100010240206 [2,1,0,0,0,0|1,0,0]=4 4075 B12R1.288 CC=Cc1ccc(c(c1)Br)OC 271570a_100016259895_100011249507 [2,1,0,0,0,0|1,0,0]=4 4076 B12R1.288 CC=Cc1ccc(c(c1)C)C#N 271570a_100016259895_100000687762 [2,1,0,0,0,0|1,0,0]=4 4077 B12R1.288 CC=Cc1ccc(c(c1)C)C=O 271570a_100016259895_100000687586 [2,1,0,0,0,0|0,0,1]=4 4078 B12R1.288 CC=Cc1ccc(c(c1)C)CF 271570a_100016259895_200010711859 [2,1,0,0,0,0|1,0,0]=4 4079 B12R1.288 CC=Cc1ccc(c(c1)C)CN 271570a_100016259895_100000753881 [2,1,0,0,0,0|1,0,0]=4 4080 B12R1.288 CC=Cc1ccc(c(c1)C)CO 271570a_100016259895_100000748258 [2,1,0,0,0,0|0,0,0]=3 4081 B12R1.288 CC=Cc1ccc(c(c1)C)NC 271570a_100016259895_100000221803 [2,1,0,0,0,0|1,0,0]=4 4082 B12R1.288 CC=Cc1ccc(c(c1)C)NN 271570a_100016259895_100000751375 [2,1,0,0,0,0|1,0,0]=4 4083 B12R1.288 CC=Cc1ccc(c(c1)C)OC 271570a_100016259895_100011219705 [2,1,0,0,0,0|0,0,0]=3 4084 B12R1.288 CC=Cc1ccc(c(c1)Cl)OC 271570a_100016259895_100012355395 [2,1,0,0,0,0|1,0,0]=4 4085 B12R1.288 CC=Cc1ccc(c(c1)F)CO 271570a_100016259895_100011191541 [2,1,0,0,0,0|1,0,0]=4 4086 B12R1.288 CC=Cc1ccc(c(c1)F)OC 271570a_100016259895_100000185480 [2,1,0,0,0,0|1,0,0]=4 4087 B12R1.288 CC=Cc1ccc(c(c1)N)CO 271570a_100016259895_100000718831 [2,1,0,0,0,0|1,0,0]=4 4088 B12R1.288 CC=Cc1ccc(c(c1)N)OC 271570a_100016259895_100000743470 [2,1,0,0,0,0|1,0,0]=4 4089 B12R1.288 CC=Cc1ccc(c(c1)O)C#N 271570a_100016259895_100011934713 [2,1,0,0,0,0|1,0,0]=4 4090 B12R1.288 CC=Cc1ccc(c(c1)O)C=O 271570a_100016259895_100011277552 [2,1,0,0,0,0|0,0,1]=4 4091 B12R1.288 CC=Cc1ccc(c(c1)O)CO 271570a_100016259895_100000071718 [2,1,0,0,0,0|0,0,0]=3 4092 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [2,1,0,0,0,0|0,0,0]=3 4093 B12R1.288 CC=Cc1ccc(c(n1)C)OC 271570a_100016259895_100010244750 [2,1,0,0,0,0|1,0,0]=4 4094 B12R1.288 CC=Cc1cnc(c(c1)C)CO 271570a_100016259895_100010116297 [2,1,0,0,0,0|1,0,0]=4 4095 B12R1.288 CC=Cc1cnc(c(c1)C)OC 271570a_100016259895_100011290809 [2,1,0,0,0,0|1,0,0]=4 4096 B12R1.288 CC=Cc1cnc(c(c1)O)OC 271570a_100016259895_100010135713 [2,1,0,0,0,0|1,0,0]=4 4097 B12R1.288 COc1ccc(cc1O)CCO 271570a_203496583355_100011962876 [2,1,0,0,0,0|0,0,1]=4 4098 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [2,1,0,0,0,0|0,0,1]=4 4099 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [2,1,0,0,0,0|0,0,1]=4 4100 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [2,1,0,0,0,0|0,0,1]=4 4101 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [2,1,0,0,0,0|1,0,0]=4 4102 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [2,1,0,0,0,0|1,0,0]=4 4103 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [2,1,0,0,0,0|1,0,0]=4 4104 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [2,1,0,0,0,0|1,0,0]=4 4105 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [2,1,0,0,0,0|1,0,0]=4 4106 B12R1.367 Cc1cc(ccc1O)C(=O)CF 1458a_100000685612_100015361967 [2,1,0,0,0,0|1,0,0]=4 4107 B12R1.367 O=C(CF)c1ccc(c(c1)O)O 1458a_100000212155_100015361967 [2,1,0,0,0,0|1,0,0]=4 4108 B12R1.544 CC=Cc1ccc(c(c1C)C)Br 271570a_100016259895_200010185626 [2,1,0,0,0,0|1,0,0]=4 4109 B12R1.544 CC=Cc1ccc(c(c1C)C)F 271570a_100016259895_100009816033 [2,1,0,0,0,0|1,0,0]=4 4110 B12R1.544 CC=Cc1ccc(c(c1C)C)N 271570a_100016259895_100009816967 [2,1,0,0,0,0|1,0,0]=4 4111 B12R1.544 CC=Cc1ccc(c(c1C)C)O 271570a_100016259895_100012353674 [2,1,0,0,0,0|0,0,0]=3 4112 B12R1.544 CC=Cc1ccc(c(c1C)N)O 271570a_100016259895_100013039247 [2,1,0,0,0,0|1,0,0]=4 4113 B12R1.544 CC=Cc1ccc(c(c1Cl)C)Br 271570a_100016259895_100055076181 [2,1,0,0,0,0|1,0,0]=4 4114 B12R1.544 CC=Cc1ccc(c(c1Cl)C)Cl 271570a_100016259895_100010730154 [2,1,0,0,0,0|1,0,0]=4 4115 B12R1.544 CC=Cc1ccc(c(c1F)C)C 271570a_100016259895_200015555822 [2,1,0,0,0,0|1,0,0]=4 4116 B12R1.544 CC=Cc1ccc(c(c1F)C)F 271570a_100016259895_100009815987 [2,1,0,0,0,0|1,0,0]=4 4117 B12R1.544 CC=Cc1ccc(c(c1F)C)N 271570a_100016259895_100010208198 [2,1,0,0,0,0|1,0,0]=4 4118 B12R1.544 CC=Cc1ccc(c(c1F)C)O 271570a_100016259895_100010390934 [2,1,0,0,0,0|0,0,0]=3 4119 B12R1.544 CC=Cc1ccc(c(c1F)F)O 271570a_100016259895_100011830415 [2,1,0,0,0,0|1,0,0]=4 4120 B12R1.544 CC=Cc1ccc(c(c1F)O)Br 271570a_100016259895_200010782288 [2,1,0,0,0,0|1,0,0]=4 4121 B12R1.544 CC=Cc1ccc(c(c1F)O)F 271570a_100016259895_100010167067 [2,1,0,0,0,0|1,0,0]=4 4122 B12R1.544 CC=Cc1ccc(c(c1N)C)F 271570a_100016259895_100011009917 [2,1,0,0,0,0|1,0,0]=4 4123 B12R1.544 CC=Cc1ccc(c(c1N)O)Br 271570a_100016259895_100020748643 [2,1,0,0,0,0|1,0,0]=4 4124 B12R1.544 CC=Cc1ccc(c(c1O)C)F 271570a_100016259895_200010391124 [2,1,0,0,0,0|1,0,0]=4 4125 B12R1.544 CC=Cc1cnc(c(c1C)C)O 271570a_100016259895_200011099879 [2,1,0,0,0,0|1,0,0]=4 4126 B12R1.1123 CC=Cc1cc(c(cc1Br)Cl)O 271570a_100016259895_100021297947 [2,1,0,0,0,0|1,0,0]=4 4127 B12R1.1123 CC=Cc1cc(c(cc1Br)F)C 271570a_100016259895_200009814773 [2,1,0,0,0,0|1,0,0]=4 4128 B12R1.1123 CC=Cc1cc(c(cc1C)Br)C 271570a_100016259895_100011356911 [2,1,0,0,0,0|1,0,0]=4 4129 B12R1.1123 CC=Cc1cc(c(cc1C)C)C 271570a_100016259895_100000759388 [2,1,0,0,0,0|1,0,0]=4 4130 B12R1.1123 CC=Cc1cc(c(cc1C)Cl)C 271570a_100016259895_100012357408 [2,1,0,0,0,0|1,0,0]=4 4131 B12R1.1123 CC=Cc1cc(c(cc1C)F)C 271570a_100016259895_100010212296 [2,1,0,0,0,0|1,0,0]=4 4132 B12R1.1123 CC=Cc1cc(c(cc1C)F)O 271570a_100016259895_100010068922 [2,1,0,0,0,0|1,0,0]=4 4133 B12R1.1123 CC=Cc1cc(c(cc1C)N)C 271570a_100016259895_100011934712 [2,1,0,0,0,0|1,0,0]=4 4134 B12R1.1123 CC=Cc1cc(c(cc1C)N)O 271570a_100016259895_200010107346 [2,1,0,0,0,0|1,0,0]=4 4135 B12R1.1123 CC=Cc1cc(c(cc1C)O)C 271570a_100016259895_100000698207 [2,1,0,0,0,0|0,0,0]=3 4136 B12R1.1123 CC=Cc1cc(c(cc1C)O)F 271570a_100016259895_100012355673 [2,1,0,0,0,0|1,0,0]=4 4137 B12R1.1123 CC=Cc1cc(c(cc1C)O)N 271570a_100016259895_200010235796 [2,1,0,0,0,0|1,0,0]=4 4138 B12R1.1123 CC=Cc1cc(c(cc1Cl)Br)C 271570a_100016259895_100010259621 [2,1,0,0,0,0|1,0,0]=4 4139 B12R1.1123 CC=Cc1cc(c(cc1Cl)O)N 271570a_100016259895_100011011175 [2,1,0,0,0,0|1,0,0]=4 4140 B12R1.1123 CC=Cc1cc(c(cc1F)Br)C 271570a_100016259895_200009814772 [2,1,0,0,0,0|1,0,0]=4 4141 B12R1.1123 CC=Cc1cc(c(cc1F)C)C 271570a_100016259895_100010197417 [2,1,0,0,0,0|1,0,0]=4 4142 B12R1.1123 CC=Cc1cc(c(cc1F)C)O 271570a_100016259895_100014242602 [2,1,0,0,0,0|1,0,0]=4 4143 B12R1.1123 CC=Cc1cc(c(cc1F)Cl)O 271570a_100016259895_100010735246 [2,1,0,0,0,0|1,0,0]=4 4144 B12R1.1123 CC=Cc1cc(c(cc1F)F)C 271570a_100016259895_100000692463 [2,1,0,0,0,0|1,0,0]=4 4145 B12R1.1123 CC=Cc1cc(c(cc1F)F)O 271570a_100016259895_100012457948 [2,1,0,0,0,0|1,0,0]=4 4146 B12R1.1123 CC=Cc1cc(c(cc1F)N)C 271570a_100016259895_100000695870 [2,1,0,0,0,0|1,0,0]=4 4147 B12R1.1123 CC=Cc1cc(c(cc1F)N)O 271570a_100016259895_100013038943 [2,1,0,0,0,0|1,0,0]=4 4148 B12R1.1123 CC=Cc1cc(c(cc1F)O)F 271570a_100016259895_100011830439 [2,1,0,0,0,0|1,0,0]=4 4149 B12R1.1123 CC=Cc1cc(c(cc1F)O)N 271570a_100016259895_100012359894 [2,1,0,0,0,0|1,0,0]=4 4150 B12R1.1123 CC=Cc1cc(c(cc1N)Br)C 271570a_100016259895_200015600912 [2,1,0,0,0,0|1,0,0]=4 4151 B12R1.1123 CC=Cc1cc(c(cc1N)C)C 271570a_100016259895_100012337760 [2,1,0,0,0,0|1,0,0]=4 4152 B12R1.1123 CC=Cc1cc(c(cc1N)F)C 271570a_100016259895_100011218008 [2,1,0,0,0,0|1,0,0]=4 4153 B12R1.1123 CC=Cc1cc(c(cc1N)N)C 271570a_100016259895_200013038441 [2,1,0,0,0,0|1,0,0]=4 4154 B12R1.1123 CC=Cc1cc(c(cc1O)C)C 271570a_100016259895_100009814663 [2,1,0,0,0,0|1,0,0]=4 4155 B12R1.56 C=C(C)c1ccc(c(c1)CC)O 271570a_100000694244_100012338938 [2,1,0,0,0,0|1,0,0]=4 4156 B12R1.56 C=C(C)c1ccc(c(c1)OC)Br 271570a_100000694244_100012353699 [2,1,0,0,0,0|1,0,0]=4 4157 B12R1.56 C=C(C)c1ccc(c(c1)OC)C 271570a_100000694244_100011830276 [2,1,0,0,0,0|1,0,0]=4 4158 B12R1.56 C=C(C)c1ccc(c(c1)OC)Cl 271570a_100000694244_100011356853 [2,1,0,0,0,0|1,0,0]=4 4159 B12R1.56 C=C(C)c1ccc(c(c1)OC)F 271570a_100000694244_100011934186 [2,1,0,0,0,0|1,0,0]=4 4160 B12R1.56 C=C(C)c1ccc(c(c1)OC)N 271570a_100000694244_100011279103 [2,1,0,0,0,0|1,0,0]=4 4161 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [2,1,0,0,0,0|0,0,0]=3 4162 B12R1.56 C=C(C)c1ccc(c(n1)OC)O 271570a_100000694244_100010893133 [2,1,0,0,0,0|1,0,0]=4 4163 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [2,1,0,0,0,0|1,0,0]=4 4164 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [2,1,0,0,0,0|1,0,0]=4 4165 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [2,1,0,0,0,0|1,0,0]=4 4166 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [2,1,0,0,0,0|1,0,0]=4 4167 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [2,1,0,0,0,0|0,1,0]=4 4168 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [2,1,0,0,0,0|1,0,0]=4 4169 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [2,1,0,0,0,0|1,0,0]=4 4170 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [2,1,0,0,0,0|1,0,0]=4 4171 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [2,1,0,0,0,0|1,0,0]=4 4172 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [2,1,0,0,0,0|1,0,0]=4 4173 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [2,1,0,0,0,0|1,0,0]=4 4174 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [2,1,0,0,0,0|1,0,0]=4 4175 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [2,1,0,0,0,0|1,0,0]=4 4176 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [2,1,0,0,0,0|1,0,0]=4 4177 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [2,1,0,0,0,0|1,0,0]=4 4178 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [2,1,0,0,0,0|1,0,0]=4 4179 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [2,1,0,0,0,0|1,0,0]=4 4180 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [2,1,0,0,0,0|1,0,0]=4 4181 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [2,1,0,0,0,0|1,0,0]=4 4182 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [2,1,0,0,0,0|1,0,0]=4 4183 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [2,1,0,0,0,0|0,0,0]=3 4184 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [2,1,0,0,0,0|0,0,0]=3 4185 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [2,1,0,0,0,0|0,0,1]=4 4186 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [2,1,0,0,0,0|0,0,0]=3 4187 B12R1.56 COc1cc(ccc1O)C(C)C 271570a_203496583355_100021623167 [2,1,0,0,0,0|0,0,1]=4 4188 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [2,1,0,0,0,0|0,1,0]=4 4189 B12R1.78 C=Cc1cc(c(cn1)CO)OC 271570a_100011290941_100010714672 [2,1,0,0,0,0|1,0,0]=4 4190 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [2,1,0,0,0,0|1,0,0]=4 4191 B12R1.78 C=Cc1ccc(c(c1)OC)C#N 271570a_100011290941_100000694671 [2,1,0,0,0,0|1,0,0]=4 4192 B12R1.78 C=Cc1ccc(c(c1)OC)C=O 271570a_100011290941_100000697075 [2,1,0,0,0,0|0,0,1]=4 4193 B12R1.78 C=Cc1ccc(c(c1)OC)CC 271570a_100011290941_200010710398 [2,1,0,0,0,0|1,0,0]=4 4194 B12R1.78 C=Cc1ccc(c(c1)OC)CO 271570a_100011290941_100011277633 [2,1,0,0,0,0|0,0,0]=3 4195 B12R1.78 C=Cc1ccc(c(c1)OC)OC 271570a_100011290941_100000187503 [2,1,0,0,0,0|0,0,0]=3 4196 B12R1.78 C=Cc1ccc(c(c1)OC)OC 34a_100011217988_200000210301 [2,1,0,0,0,0|0,0,0]=3 4197 B12R1.78 C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100011217988_200025704644 [2,1,0,0,0,0|0,0,0]=3 4198 B12R1.78 C=Cc1ccc(c(c1)OC)SC 271570a_100011290941_200011001119 [2,1,0,0,0,0|0,1,0]=4 4199 B12R1.78 C=Cc1ccc(c(c1)SC)OC 271570a_100011290941_200009892704 [2,1,0,0,0,0|0,1,0]=4 4200 B12R1.78 C=Cc1ccc(c(n1)OC)CO 271570a_100011290941_100010988397 [2,1,0,0,0,0|1,0,0]=4 4201 B12R1.78 C=Cc1ccc(c(n1)OC)OC 271570a_100011290941_100010214848 [2,1,0,0,0,0|1,0,0]=4 4202 B12R1.78 C=Cc1ccc(cc1OC)CO 271570a_100011290941_100010234685 [2,1,0,0,0,0|1,0,0]=4 4203 B12R1.78 C=Cc1cnc(c(c1)OC)CO 271570a_100011290941_200010246159 [2,1,0,0,0,0|1,0,0]=4 4204 B12R1.78 C=Cc1cnc(c(c1)OC)OC 271570a_100011290941_100010234541 [2,1,0,0,0,0|1,0,0]=4 4205 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [2,1,0,0,0,0|0,0,1]=4 4206 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [2,1,0,0,0,0|0,0,1]=4 4207 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [2,1,0,0,0,0|0,0,1]=4 4208 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [2,1,0,0,0,0|0,0,1]=4 4209 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [2,1,0,0,0,0|0,0,1]=4 4210 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [2,1,0,0,0,0|0,0,1]=4 4211 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [2,1,0,0,0,0|0,0,1]=4 4212 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [2,1,0,0,0,0|0,0,1]=4 4213 B12R1.78 CNc1cc(ccc1OC)CO 2230a_100011269841_200000210301 [2,1,0,0,0,0|1,0,0]=4 4214 B12R1.78 CNc1cc(ccc1OC)CO 34a_100011269841_200000210301 [2,1,0,0,0,0|1,0,0]=4 4215 B12R1.78 CNc1ccc(c(c1)OC)CO 34a_100012183141_200000210301 [2,1,0,0,0,0|1,0,0]=4 4216 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [2,1,0,0,0,0|1,0,0]=4 4217 B12R1.78 CNc1ccc(cc1OC)CO 2230a_100000087641_200000210301 [2,1,0,0,0,0|1,0,0]=4 4218 B12R1.78 CNc1ccc(cc1OC)CO 34a_100000087641_200000210301 [2,1,0,0,0,0|1,0,0]=4 4219 B12R1.78 COc1cc(ccc1CO)CO 34a_200010669990_200000210301 [2,1,0,0,0,0|0,0,0]=3 4220 B12R1.78 COc1cc(ccc1CO)N[13CH3] 34a_100012183141_200025704644 [2,1,0,0,0,0|1,0,0]=4 4221 B12R1.78 COc1cc(ccc1CO)O[13CH3] 34a_200000116926_200025704644 [2,1,0,0,0,0|1,0,0]=4 4222 B12R1.78 COc1cc(ccc1CO)SC 62a_100011277633_200000210301 [2,1,0,0,0,0|1,0,0]=4 4223 B12R1.78 COc1cc(ccc1CO)SC 62a_200000210301_100011277633 [2,1,0,0,0,0|1,0,0]=4 4224 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_100011277633_200025704644 [2,1,0,0,0,0|1,0,0]=4 4225 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_200025704644_100011277633 [2,1,0,0,0,0|1,0,0]=4 4226 B12R1.78 COc1cc(ccc1N[13CH3])CO 2230a_100000087641_200025704644 [2,1,0,0,0,0|1,0,0]=4 4227 B12R1.78 COc1cc(ccc1N[13CH3])CO 34a_100000087641_200025704644 [2,1,0,0,0,0|1,0,0]=4 4228 B12R1.78 COc1cc(ccc1O[13CH3])CN 34a_100000185554_200025704644 [2,1,0,0,0,0|1,0,0]=4 4229 B12R1.78 COc1cc(ccc1SC)CO 62a_100010234685_200000210301 [2,1,0,0,0,0|0,1,0]=4 4230 B12R1.78 COc1cc(ccc1SC)CO 62a_200000210301_100010234685 [2,1,0,0,0,0|0,1,0]=4 4231 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_100010234685_200025704644 [2,1,0,0,0,0|0,1,0]=4 4232 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_200025704644_100010234685 [2,1,0,0,0,0|0,1,0]=4 4233 B12R1.78 COc1ccc(c(c1)OC)CO 34a_200000116926_200000210301 [2,1,0,0,0,0|1,0,0]=4 4234 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [2,1,0,0,0,0|1,0,0]=4 4235 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [2,1,0,0,0,0|1,0,0]=4 4236 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [2,1,0,0,0,0|1,0,0]=4 4237 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [2,1,0,0,0,0|1,0,0]=4 4238 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [2,1,0,0,0,0|1,0,0]=4 4239 B12R1.78 COc1ccc(cc1N[13CH3])CO 2230a_100011269841_200025704644 [2,1,0,0,0,0|1,0,0]=4 4240 B12R1.78 COc1ccc(cc1N[13CH3])CO 34a_100011269841_200025704644 [2,1,0,0,0,0|1,0,0]=4 4241 B12R1.78 COc1ccc(cc1OC)CN 34a_100000185554_200000210301 [2,1,0,0,0,0|1,0,0]=4 4242 B12R1.78 COc1ccc(cc1OC)CN 34a_100000740000_200000210301 [2,1,0,0,0,0|1,0,0]=4 4243 B12R1.78 COc1ccc(cc1OC)CO 34a_100011215239_200000210301 [2,1,0,0,0,0|0,0,0]=3 4244 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [2,1,0,0,0,0|1,0,0]=4 4245 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [2,1,0,0,0,0|1,0,0]=4 4246 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [2,1,0,0,0,0|1,0,0]=4 4247 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [2,1,0,0,0,0|1,0,0]=4 4248 B12R1.78 COc1ccc(cc1O[13CH3])CN 34a_100000740000_200025704644 [2,1,0,0,0,0|1,0,0]=4 4249 B12R1.78 COc1ccc(cc1O[13CH3])CO 34a_100011215239_200025704644 [2,1,0,0,0,0|0,0,0]=3 4250 B12R1.78 COc1ccc(cc1SC)CO 62a_100000246451_200000210301 [2,1,0,0,0,0|0,1,0]=4 4251 B12R1.78 COc1ccc(cc1SC)CO 62a_200000210301_100000246451 [2,1,0,0,0,0|0,1,0]=4 4252 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_100000246451_200025704644 [2,1,0,0,0,0|0,1,0]=4 4253 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_200025704644_100000246451 [2,1,0,0,0,0|0,1,0]=4 4254 B12R1.78 CSc1cc(ccc1CO)CO 62a_100010881536_200000210301 [2,1,0,0,0,0|0,1,0]=4 4255 B12R1.78 CSc1cc(ccc1CO)CO 62a_200000210301_100010881536 [2,1,0,0,0,0|0,1,0]=4 4256 B12R1.78 [13CH3]Oc1cc(ccc1CO)CO 34a_200010669990_200025704644 [2,1,0,0,0,0|0,0,0]=3 4257 B12R1.78 [13CH3]Sc1cc(ccc1CO)CO 62a_100010881536_200025704644 [2,1,0,0,0,0|0,1,0]=4 4258 B12R1.78 [13CH3]Sc1cc(ccc1CO)CO 62a_200025704644_100010881536 [2,1,0,0,0,0|0,1,0]=4 4259 B12R1.300 C=Cc1cc(c(c(c1)CC)O)C 271570a_100011290941_100010659108 [2,1,0,0,0,0|1,0,0]=4 4260 B12R1.300 C=Cc1cc(c(c(c1)OC)F)C 271570a_100011290941_100010271686 [2,1,0,0,0,0|1,0,0]=4 4261 B12R1.300 C=Cc1cc(c(c(c1)OC)F)F 271570a_100011290941_100011218012 [2,1,0,0,0,0|1,0,0]=4 4262 B12R1.300 C=Cc1cc(c(c(c1)OC)F)O 271570a_100011290941_200015524394 [2,1,0,0,0,0|1,0,0]=4 4263 B12R1.300 C=Cc1cc(c(c(c1)OC)N)C 271570a_100011290941_100000741850 [2,1,0,0,0,0|1,0,0]=4 4264 B12R1.300 COc1cc(c(c(c1)OC)O)F 271570a_203496583355_200009812871 [2,1,0,0,0,0|1,0,0]=4 4265 B12R1.300 COc1cc(cc(c1O)O)C=O 271570a_203496583355_100000184534 [2,1,0,0,0,0|0,0,1]=4 4266 B12R1.300 COc1cc(cc(c1O)O)CO 271570a_203496583355_200000022573 [2,1,0,0,0,0|0,0,0]=3 4267 B12R1.300 COc1cc(cc(c1O)O)SC 62a_200000210301_200159242197 [2,1,0,0,0,0|1,0,0]=4 4268 B12R1.300 COc1cc(cc(c1O)O)S[13CH3] 62a_200025704644_200159242197 [2,1,0,0,0,0|1,0,0]=4 4269 B12R1.449 C=Cc1cc(c(cc1Br)Br)OC 271570a_100011290941_200014006352 [2,1,0,0,0,0|1,0,0]=4 4270 B12R1.449 C=Cc1cc(c(cc1C)F)OC 271570a_100011290941_100011009880 [2,1,0,0,0,0|1,0,0]=4 4271 B12R1.449 C=Cc1cc(c(cc1C)N)OC 271570a_100011290941_100010141321 [2,1,0,0,0,0|1,0,0]=4 4272 B12R1.449 C=Cc1cc(c(cc1F)Cl)OC 271570a_100011290941_100010739614 [2,1,0,0,0,0|1,0,0]=4 4273 B12R1.449 C=Cc1cc(c(cc1F)F)OC 271570a_100011290941_200015541288 [2,1,0,0,0,0|1,0,0]=4 4274 B12R1.449 C=Cc1cc(c(cc1F)N)OC 271570a_100011290941_100012766639 [2,1,0,0,0,0|1,0,0]=4 4275 B12R1.449 C=Cc1cc(c(cc1F)O)OC 271570a_100011290941_100010189133 [2,1,0,0,0,0|0,0,0]=3 4276 B12R1.449 C=Cc1cc(c(cc1N)C)OC 271570a_100011290941_200010584344 [2,1,0,0,0,0|1,0,0]=4 4277 B12R1.449 C=Cc1cc(c(cc1N)F)OC 271570a_100011290941_100010365326 [2,1,0,0,0,0|1,0,0]=4 4278 B12R1.449 COc1cc(c(cc1O)F)C=O 271570a_203496583355_100000695681 [2,1,0,0,0,0|0,0,1]=4 4279 B12R1.449 COc1cc(c(cc1O)F)OC 271570a_203496583355_100010141368 [2,1,0,0,0,0|1,0,0]=4 4280 B12R1.449 COc1cc(c(cc1O)F)SC 62a_200000210301_100010189133 [2,1,0,0,0,0|1,0,0]=4 4281 B12R1.449 COc1cc(c(cc1O)F)S[13CH3] 62a_200025704644_100010189133 [2,1,0,0,0,0|1,0,0]=4 4282 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100000741691 [2,1,0,0,0,0|0,0,1]=4 4283 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100010762608 [2,1,0,0,0,0|0,0,1]=4 4284 B12R1.453 C=C(C)c1cc(ccc1O)CO 271570a_100000694244_100011191544 [2,1,0,0,0,0|1,0,0]=4 4285 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [2,1,0,0,0,0|1,0,0]=4 4286 B12R1.453 C=Cc1ccc(c(c1)C(C)C)O 271570a_100011290941_100000691460 [2,1,0,0,0,0|1,0,0]=4 4287 B12R1.453 CC(=O)c1cc(ccc1O)CO 1458a_200000045694_200000210301 [2,1,0,0,0,0|1,0,0]=4 4288 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)CO 1458a_200000045694_200025704644 [2,1,0,0,0,0|1,0,0]=4 4289 B12R1.654 C=Cc1ccc(c(c1F)OC)Cl 271570a_100011290941_200135222481 [2,1,0,0,0,0|1,0,0]=4 4290 B12R1.654 C=Cc1ccc(c(c1F)OC)N 271570a_100011290941_100010734149 [2,1,0,0,0,0|1,0,0]=4 4291 B12R1.654 COc1c(ccc(c1F)C=O)O 271570a_203496583355_200010981996 [2,1,0,0,0,0|0,0,1]=4 4292 B12R1.654 COc1ccc(c(c1C)OC)O 271570a_203496583355_100010234078 [2,1,0,0,0,0|1,0,0]=4 4293 B12R1.654 COc1ccc(c(c1F)OC)O 271570a_203496583355_200010341284 [2,1,0,0,0,0|1,0,0]=4 4294 B12R1.17 Cc1cccc(c1)C(=O)CCO 1458a_100000189346_100000211926 [2,1,0,0,0,0|0,0,1]=4 4295 B12R1.17 O=C(CCO)c1cccc(c1)O 1458a_100000183914_100000211926 [2,1,0,0,0,0|0,0,1]=4 4296 B12R1.28 CCCC=Cc1cccc(c1)C 271570a_100016258520_100011215228 [2,1,0,0,0,0|1,0,0]=4 4297 B12R1.28 CCCC=Cc1cccc(c1)O 271570a_100016258520_100000211634 [2,1,0,0,0,0|1,0,0]=4 4298 B12R1.28 CCOC=Cc1cccc(c1)C 271570a_100016256518_100011215228 [2,1,0,0,0,0|1,0,0]=4 4299 B12R1.28 CCOC=Cc1cccc(c1)O 271570a_100016256518_100000211634 [2,1,0,0,0,0|1,0,0]=4 4300 B12R1.28 CNCC=Cc1cccc(c1)C 270004a_106832991635_100102525846 [2,1,0,0,0,0|1,0,0]=4 4301 B12R1.28 COCC=Cc1cc(ccn1)C 271570a_100016286323_100000750283 [2,1,0,0,0,0|1,0,0]=4 4302 B12R1.28 COCC=Cc1cc(ccn1)O 271570a_100016286323_100000762945 [2,1,0,0,0,0|1,0,0]=4 4303 B12R1.28 COCC=Cc1ccc[n+](c1)C 271570a_100016286323_100009996589 [2,1,0,0,0,0|1,0,0]=4 4304 B12R1.28 COCC=Cc1cccc(c1)Br 271570a_100016286323_100000691529 [2,1,0,0,0,0|1,0,0]=4 4305 B12R1.28 COCC=Cc1cccc(c1)C 271570a_100016286323_100011215228 [2,1,0,0,0,0|0,0,0]=3 4306 B12R1.28 COCC=Cc1cccc(c1)Cl 271570a_100016286323_100000699651 [2,1,0,0,0,0|1,0,0]=4 4307 B12R1.28 COCC=Cc1cccc(c1)F 271570a_100016286323_100000685547 [2,1,0,0,0,0|1,0,0]=4 4308 B12R1.28 COCC=Cc1cccc(c1)N 271570a_100016286323_100000210019 [2,1,0,0,0,0|1,0,0]=4 4309 B12R1.28 COCC=Cc1cccc(c1)O 271570a_100016286323_100000211634 [2,1,0,0,0,0|0,0,0]=3 4310 B12R1.28 COCC=Cc1cccc(c1)[S] 271570a_100016286323_114929384022 [2,1,0,0,0,0|0,1,0]=4 4311 B12R1.28 COCC=Cc1cccc(n1)C 271570a_100016286323_100000742759 [2,1,0,0,0,0|1,0,0]=4 4312 B12R1.28 COCC=Cc1ccnc(c1)C 271570a_100016286323_100000758586 [2,1,0,0,0,0|1,0,0]=4 4313 B12R1.28 COCC=Cc1cncc(c1)C 271570a_100016286323_100000760492 [2,1,0,0,0,0|1,0,0]=4 4314 B12R1.28 COCC=Cc1cncc(c1)O 271570a_100016286323_100000754920 [2,1,0,0,0,0|1,0,0]=4 4315 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [2,1,0,0,0,0|0,0,1]=4 4316 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [2,1,0,0,0,0|1,0,0]=4 4317 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [2,1,0,0,0,0|1,0,0]=4 4318 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [2,1,0,0,0,0|0,0,1]=4 4319 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [2,1,0,0,0,0|1,0,0]=4 4320 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [2,1,0,0,0,0|1,0,0]=4 4321 B12R1.226 CC(C)C=Cc1cccc(c1)O 271570a_100016257149_100000211634 [2,1,0,0,0,0|1,0,0]=4 4322 B12R1.226 CC(O)C=Cc1cc(ccn1)O 271570a_200011019289_100000762945 [2,1,0,0,0,0|1,0,0]=4 4323 B12R1.226 CC(O)C=Cc1ccc[n+](c1)C 271570a_200011019289_100009996589 [2,1,0,0,0,0|1,0,0]=4 4324 B12R1.226 CC(O)C=Cc1cccc(c1)Br 271570a_200011019289_100000691529 [2,1,0,0,0,0|1,0,0]=4 4325 B12R1.226 CC(O)C=Cc1cccc(c1)Cl 271570a_200011019289_100000699651 [2,1,0,0,0,0|1,0,0]=4 4326 B12R1.226 CC(O)C=Cc1cccc(c1)F 271570a_200011019289_100000685547 [2,1,0,0,0,0|1,0,0]=4 4327 B12R1.226 CC(O)C=Cc1cccc(c1)N 271570a_200011019289_100000210019 [2,1,0,0,0,0|1,0,0]=4 4328 B12R1.226 CC(O)C=Cc1cccc(c1)O 271570a_200011019289_100000211634 [2,1,0,0,0,0|0,0,0]=3 4329 B12R1.226 CC(O)C=Cc1cccc(c1)[S] 271570a_200011019289_114929384022 [2,1,0,0,0,0|0,1,0]=4 4330 B12R1.226 CC(O)C=Cc1cncc(c1)O 271570a_200011019289_100000754920 [2,1,0,0,0,0|1,0,0]=4 4331 B12R1.226 Cc1cc(ccn1)C=CC(C)O 271570a_200011019289_100000758586 [2,1,0,0,0,0|1,0,0]=4 4332 B12R1.226 Cc1cccc(c1)C=CC(C)C 271570a_100016257149_100011215228 [2,1,0,0,0,0|1,0,0]=4 4333 B12R1.226 Cc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215228 [2,1,0,0,0,0|0,0,0]=3 4334 B12R1.226 Cc1cccc(n1)C=CC(C)O 271570a_200011019289_100000742759 [2,1,0,0,0,0|1,0,0]=4 4335 B12R1.226 Cc1ccnc(c1)C=CC(C)O 271570a_200011019289_100000750283 [2,1,0,0,0,0|1,0,0]=4 4336 B12R1.226 Cc1cncc(c1)C=CC(C)O 271570a_200011019289_100000760492 [2,1,0,0,0,0|1,0,0]=4 4337 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [2,1,0,0,0,0|1,0,0]=4 4338 B12R1.1 CCOC=Cc1ccc(cc1)O 271570a_100016256518_100000185759 [2,1,0,0,0,0|1,0,0]=4 4339 B12R1.1 COCC=Cc1ccc(cc1)Br 271570a_100016286323_100000752885 [2,1,0,0,0,0|1,0,0]=4 4340 B12R1.1 COCC=Cc1ccc(cc1)C 271570a_100016286323_100000186775 [2,1,0,0,0,0|1,0,0]=4 4341 B12R1.1 COCC=Cc1ccc(cc1)Cl 271570a_100016286323_100000755918 [2,1,0,0,0,0|1,0,0]=4 4342 B12R1.1 COCC=Cc1ccc(cc1)F 271570a_100016286323_100000211213 [2,1,0,0,0,0|1,0,0]=4 4343 B12R1.1 COCC=Cc1ccc(cc1)N 271570a_100016286323_100000185761 [2,1,0,0,0,0|1,0,0]=4 4344 B12R1.1 COCC=Cc1ccc(cc1)O 271570a_100016286323_100000185759 [2,1,0,0,0,0|0,0,0]=3 4345 B12R1.1 COCC=Cc1ccc(cn1)O 271570a_100016286323_100000685995 [2,1,0,0,0,0|1,0,0]=4 4346 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [2,1,0,0,0,0|0,0,1]=4 4347 B12R1.21 CC(C)C=Cc1ccc(cc1)O 271570a_100016257149_100000185759 [2,1,0,0,0,0|1,0,0]=4 4348 B12R1.21 CC(O)C=Cc1ccc(cc1)Br 271570a_200011019289_100000752885 [2,1,0,0,0,0|1,0,0]=4 4349 B12R1.21 CC(O)C=Cc1ccc(cc1)Cl 271570a_200011019289_100000755918 [2,1,0,0,0,0|1,0,0]=4 4350 B12R1.21 CC(O)C=Cc1ccc(cc1)F 271570a_200011019289_100000211213 [2,1,0,0,0,0|1,0,0]=4 4351 B12R1.21 CC(O)C=Cc1ccc(cc1)N 271570a_200011019289_100000185761 [2,1,0,0,0,0|1,0,0]=4 4352 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [2,1,0,0,0,0|0,0,0]=3 4353 B12R1.21 CC(O)C=Cc1ccc(cn1)O 271570a_200011019289_100000685995 [2,1,0,0,0,0|1,0,0]=4 4354 B12R1.21 Cc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000186775 [2,1,0,0,0,0|1,0,0]=4 4355 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [2,1,0,0,0,0|1,0,0]=4 4356 B14R1.41 CCc1cc(ccc1O)C(=C(C)C)C 271570a_200000049429_100012338938 [1,2,0,0,0,0|1,0,0]=4 4357 B14R1.41 COc1cc(ccc1Br)C(=C(C)C)C 271570a_200000049429_100012353699 [1,2,0,0,0,0|1,0,0]=4 4358 B14R1.41 COc1cc(ccc1C)C(=C(C)C)C 271570a_200000049429_100011830276 [1,2,0,0,0,0|1,0,0]=4 4359 B14R1.41 COc1cc(ccc1Cl)C(=C(C)C)C 271570a_200000049429_100011356853 [1,2,0,0,0,0|1,0,0]=4 4360 B14R1.41 COc1cc(ccc1F)C(=C(C)C)C 271570a_200000049429_100011934186 [1,2,0,0,0,0|1,0,0]=4 4361 B14R1.41 COc1cc(ccc1N)C(=C(C)C)C 271570a_200000049429_100011279103 [1,2,0,0,0,0|1,0,0]=4 4362 B14R1.41 COc1cc(ccc1O)C(=C(C)C)C 271570a_200000049429_100000694246 [1,2,0,0,0,0|0,0,0]=3 4363 B14R1.41 COc1cc(ccc1O)C(=O)C(C)C 1458a_100000687070_100000210206 [1,2,0,0,0,0|0,0,1]=4 4364 B14R1.41 COc1cc(ccc1O)C(=O)N(C)C 240690a_100102631434_100000687070 [1,2,0,0,0,0|1,0,0]=4 4365 B14R1.41 COc1cc(ccc1O)C(O)C(=O)C 1458a_100000036414_200000210301 [1,2,0,0,0,0|0,0,1]=4 4366 B14R1.41 COc1cc(ccc1O)C(O)C(=O)[13CH3] 1458a_100000036414_200025704644 [1,2,0,0,0,0|0,0,1]=4 4367 B14R1.41 COc1nc(ccc1O)C(=C(C)C)C 271570a_200000049429_100010893133 [1,2,0,0,0,0|1,0,0]=4 4368 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)O)Cl 1458a_100000209947_100000210202 [1,2,0,0,0,0|0,0,1]=4 4369 B14R1.358 CCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000210202 [1,2,0,0,0,0|0,0,1]=4 4370 B14R1.358 CNC(=O)c1cc(c(c(c1)OC)O)Cl 240690a_100102657272_100000209947 [1,2,0,0,0,0|1,0,0]=4 4371 B14R1.358 COC(=O)c1cc(c(c(c1)OC)O)O 271570a_203496583355_200009811556 [1,2,0,0,0,0|1,0,0]=4 4372 B14R1.358 COc1cc(cc(c1O)Cl)C(=O)CF 1458a_100000209947_100015361967 [1,2,0,0,0,0|1,0,0]=4 4373 B14R1.358 COc1cc(cc(c1O)O)C(=O)CF 1458a_100000061230_100015361967 [1,2,0,0,0,0|1,0,0]=4 4374 B14R1.436 CCOc1cc(ccc1O)C(=O)CC 1458a_100011260950_100000210202 [1,2,0,0,0,0|0,0,1]=4 4375 B14R1.436 CCOc1cc(ccc1O)C(=O)CF 1458a_100011260950_100015361967 [1,2,0,0,0,0|1,0,0]=4 4376 B14R1.436 CCOc1cc(ccc1O)C(=O)NC 240690a_100102657272_100011260950 [1,2,0,0,0,0|1,0,0]=4 4377 B14R1.436 COCc1cc(ccc1O)C(=O)OC 271570a_203496583355_200010890493 [1,2,0,0,0,0|1,0,0]=4 4378 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000210202 [1,2,0,0,0,0|0,0,1]=4 4379 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 34a_100000012293_200000210301 [1,2,0,0,0,0|0,0,1]=4 4380 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 7a_100000012293_200000210301 [1,2,0,0,0,0|0,0,1]=4 4381 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_100000012293_200025704644 [1,2,0,0,0,0|0,0,1]=4 4382 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000012293_200025704644 [1,2,0,0,0,0|0,0,1]=4 4383 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 11a_106832991635_100000211223 [1,2,0,0,0,0|1,0,0]=4 4384 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 1626a_100102657272_100000211223 [1,2,0,0,0,0|1,0,0]=4 4385 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 240690a_100102657272_100000211223 [1,2,0,0,0,0|1,0,0]=4 4386 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 527a_100102657272_100000211223 [1,2,0,0,0,0|1,0,0]=4 4387 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 34a_100000212147_200000210301 [1,2,0,0,0,0|1,0,0]=4 4388 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 34a_100011215032_200000210301 [1,2,0,0,0,0|1,0,0]=4 4389 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 7a_100000212147_200000210301 [1,2,0,0,0,0|1,0,0]=4 4390 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 7a_100011215032_200000210301 [1,2,0,0,0,0|1,0,0]=4 4391 B14R1.1864 COC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_100000212147_200025704644 [1,2,0,0,0,0|1,0,0]=4 4392 B14R1.1864 COC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000212147_200025704644 [1,2,0,0,0,0|1,0,0]=4 4393 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])OC 34a_100011215032_200025704644 [1,2,0,0,0,0|1,0,0]=4 4394 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])OC 7a_100011215032_200025704644 [1,2,0,0,0,0|1,0,0]=4 4395 B14R1.1864 COc1cc(ccc1O[13CH3])C(=NO)N 34a_200000748009_200025704644 [1,2,0,0,0,0|1,0,0]=4 4396 B14R1.1864 COc1ccc(cc1OC)C(=NO)N 34a_200000748009_200000210301 [1,2,0,0,0,0|1,0,0]=4 4397 B14R1.1864 COc1ccc(cc1OC)C(=O)CF 1458a_100000211223_100015361967 [1,2,0,0,0,0|1,0,0]=4 4398 B14R1.2283 COC(=O)c1cc(c(cc1N)O)OC 271570a_203496583355_100014686525 [1,2,0,0,0,0|1,0,0]=4 4399 B14R1.343 CCc1cc(cc(c1O)C)C=C(C)C 271570a_100102525489_100010659108 [1,2,0,0,0,0|1,0,0]=4 4400 B14R1.343 COc1cc(cc(c1F)C)C=C(C)C 271570a_100102525489_100010271686 [1,2,0,0,0,0|1,0,0]=4 4401 B14R1.343 COc1cc(cc(c1F)F)C=C(C)C 271570a_100102525489_100011218012 [1,2,0,0,0,0|1,0,0]=4 4402 B14R1.343 COc1cc(cc(c1F)O)C=C(C)C 271570a_100102525489_200015524394 [1,2,0,0,0,0|1,0,0]=4 4403 B14R1.343 COc1cc(cc(c1N)C)C=C(C)C 271570a_100102525489_100000741850 [1,2,0,0,0,0|1,0,0]=4 4404 B14R1.343 COc1cc(cc(c1O)Br)CC(=O)C 1458a_100009814412_200000210301 [1,2,0,0,0,0|0,0,1]=4 4405 B14R1.343 COc1cc(cc(c1O)Br)CC(=O)[13CH3] 1458a_100009814412_200025704644 [1,2,0,0,0,0|0,0,1]=4 4406 B14R1.439 CCOc1cc(ccc1C)C=C(C)C 271570a_100102525489_100012361169 [1,2,0,0,0,0|1,0,0]=4 4407 B14R1.439 CCOc1cc(ccc1F)C=C(C)C 271570a_100102525489_200012344967 [1,2,0,0,0,0|1,0,0]=4 4408 B14R1.439 CCOc1cc(ccc1N)C=C(C)C 271570a_100102525489_100000688918 [1,2,0,0,0,0|1,0,0]=4 4409 B14R1.439 CCOc1cc(ccc1O)CC(=O)C 1458a_200000048972_200000210301 [1,2,0,0,0,0|0,0,1]=4 4410 B14R1.439 CCOc1cc(ccc1O)CC(=O)[13CH3] 1458a_200000048972_200025704644 [1,2,0,0,0,0|0,0,1]=4 4411 B14R1.439 CNCc1cc(ccc1O)C=C(C)C 271570a_100102525489_100011602694 [1,2,0,0,0,0|1,0,0]=4 4412 B14R1.439 COCc1cc(ccc1Br)C=C(C)C 271570a_100102525489_202125822959 [1,2,0,0,0,0|1,0,0]=4 4413 B14R1.439 COCc1cc(ccc1F)C=C(C)C 271570a_100102525489_100010140362 [1,2,0,0,0,0|1,0,0]=4 4414 B14R1.705 CC(=Cc1ccc(c(c1)C(C)C)O)C 271570a_100102525489_100000691460 [1,2,0,0,0,0|1,0,0]=4 4415 B14R1.705 CC(=O)c1cc(ccc1O)C=C(C)C 271570a_100102525489_100000212127 [1,2,0,0,0,0|1,0,0]=4 4416 B14R1.881 COc1cc(c(cc1Br)Br)C=C(C)C 271570a_100102525489_200014006352 [1,2,0,0,0,0|1,0,0]=4 4417 B14R1.881 COc1cc(c(cc1C)N)C=C(C)C 271570a_100102525489_200010584344 [1,2,0,0,0,0|1,0,0]=4 4418 B14R1.881 COc1cc(c(cc1Cl)F)C=C(C)C 271570a_100102525489_100010739614 [1,2,0,0,0,0|1,0,0]=4 4419 B14R1.881 COc1cc(c(cc1F)C)C=C(C)C 271570a_100102525489_100011009880 [1,2,0,0,0,0|1,0,0]=4 4420 B14R1.881 COc1cc(c(cc1F)F)C=C(C)C 271570a_100102525489_200015541288 [1,2,0,0,0,0|1,0,0]=4 4421 B14R1.881 COc1cc(c(cc1F)N)C=C(C)C 271570a_100102525489_100010365326 [1,2,0,0,0,0|1,0,0]=4 4422 B14R1.881 COc1cc(c(cc1N)C)C=C(C)C 271570a_100102525489_100010141321 [1,2,0,0,0,0|1,0,0]=4 4423 B14R1.881 COc1cc(c(cc1N)F)C=C(C)C 271570a_100102525489_100012766639 [1,2,0,0,0,0|1,0,0]=4 4424 B14R1.881 COc1cc(c(cc1O)Br)CC(=O)C 1458a_100009814189_200000210301 [1,2,0,0,0,0|0,0,1]=4 4425 B14R1.881 COc1cc(c(cc1O)Br)CC(=O)[13CH3] 1458a_100009814189_200025704644 [1,2,0,0,0,0|0,0,1]=4 4426 B14R1.881 COc1cc(c(cc1O)F)C=C(C)C 271570a_100102525489_100010189133 [1,2,0,0,0,0|0,0,0]=3 4427 B14R1.3651 CCc1cc(ccc1OC)C=C(C)C 271570a_100102525489_200010179862 [1,2,0,0,0,0|1,0,0]=4 4428 B14R1.3651 CCc1ccc(cc1OC)C=C(C)C 271570a_100102525489_200010710398 [1,2,0,0,0,0|1,0,0]=4 4429 B14R1.3651 COc1cc(ccc1C#N)C=C(C)C 271570a_100102525489_100000694671 [1,2,0,0,0,0|1,0,0]=4 4430 B14R1.3651 COc1cc(ccc1C=O)C=C(C)C 271570a_100102525489_100000697075 [1,2,0,0,0,0|0,0,1]=4 4431 B14R1.3651 COc1cc(ccc1CO)C=C(C)C 271570a_100102525489_100011277633 [1,2,0,0,0,0|0,0,0]=3 4432 B14R1.3651 COc1cc(ccc1CO)NC(=O)C 22a_100012183141_100000070787 [1,2,0,0,0,0|1,0,0]=4 4433 B14R1.3651 COc1cc(ccc1O[13CH3])CC(=O)C 34a_200000039568_200025704644 [1,2,0,0,0,0|0,0,1]=4 4434 B14R1.3651 COc1cc(ccc1SC)C=C(C)C 271570a_100102525489_200011001119 [1,2,0,0,0,0|0,1,0]=4 4435 B14R1.3651 COc1cc(cnc1CO)C=C(C)C 271570a_100102525489_200010246159 [1,2,0,0,0,0|1,0,0]=4 4436 B14R1.3651 COc1cc(cnc1OC)C=C(C)C 271570a_100102525489_100010234541 [1,2,0,0,0,0|1,0,0]=4 4437 B14R1.3651 COc1cc(ncc1CO)C=C(C)C 271570a_100102525489_100010714672 [1,2,0,0,0,0|1,0,0]=4 4438 B14R1.3651 COc1ccc(cc1OC)C=C(C)C 271570a_100102525489_100000187503 [1,2,0,0,0,0|0,0,0]=3 4439 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 1458a_100000184093_200000210301 [1,2,0,0,0,0|0,0,1]=4 4440 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 34a_200000039568_200000210301 [1,2,0,0,0,0|0,0,1]=4 4441 B14R1.3651 COc1ccc(cc1OC)CC(=O)[13CH3] 1458a_100000184093_200025704644 [1,2,0,0,0,0|0,0,1]=4 4442 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 11a_100000187404_100015343762 [1,2,0,0,0,0|1,0,0]=4 4443 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 1626a_100000187404_100015343762 [1,2,0,0,0,0|1,0,0]=4 4444 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 22a_100000187404_100000070787 [1,2,0,0,0,0|1,0,0]=4 4445 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 527a_100000187404_100103153847 [1,2,0,0,0,0|1,0,0]=4 4446 B14R1.3651 COc1ccc(cc1SC)C=C(C)C 271570a_100102525489_200009892704 [1,2,0,0,0,0|0,1,0]=4 4447 B14R1.3651 COc1ccc(nc1OC)C=C(C)C 271570a_100102525489_100010214848 [1,2,0,0,0,0|1,0,0]=4 4448 B14R1.3651 COc1nc(ccc1CO)C=C(C)C 271570a_100102525489_100010988397 [1,2,0,0,0,0|1,0,0]=4 4449 B14R1.4106 COc1c(ccc(c1F)C=C(C)C)Cl 271570a_100102525489_200135222481 [1,2,0,0,0,0|1,0,0]=4 4450 B14R1.4106 COc1c(ccc(c1F)C=C(C)C)N 271570a_100102525489_100010734149 [1,2,0,0,0,0|1,0,0]=4 4451 B14R1.489 CC=Cc1ccc(c(c1)CC(=O)C)O 271570a_100016259895_200010006938 [1,2,0,0,0,0|1,0,0]=4 4452 B14R1.489 CC=Cc1ccc(c(c1)OC(=O)C)C 271570a_100016259895_100103282185 [1,2,0,0,0,0|1,0,0]=4 4453 B14R1.489 CC=Cc1ccc(c(c1)OC(C)C)C 271570a_100016259895_200012359587 [1,2,0,0,0,0|1,0,0]=4 4454 B14R1.489 CC=Cc1ccc(c(c1)OC(C)C)F 271570a_100016259895_200012350295 [1,2,0,0,0,0|1,0,0]=4 4455 B14R1.489 CC=Cc1ccc(c(c1)OC(F)F)F 271570a_100016259895_100012359426 [1,2,0,0,0,0|1,0,0]=4 4456 B14R1.489 CC=Cc1ccc(c(c1)OC(F)F)N 271570a_100016259895_100010212277 [1,2,0,0,0,0|1,0,0]=4 4457 B14R1.761 CC=Cc1ccc(c(c1)/C=N/OC)F 271570a_100016259895_200009812721 [1,2,0,0,0,0|1,0,0]=4 4458 B14R1.761 CC=Cc1ccc(c(c1)CNCC)O 271570a_100016259895_100000765307 [1,2,0,0,0,0|1,0,0]=4 4459 B14R1.3235 CC=Cc1cc(c(c(c1)OCC)F)F 271570a_100016259895_200012359421 [1,2,0,0,0,0|1,0,0]=4 4460 B14R1.6787 CC=Cc1ccc(c(c1)CCN)OC 271570a_100016259895_100000763266 [1,2,0,0,0,0|1,0,0]=4 4461 B14R1.6787 CC=Cc1ccc(c(c1)CNC)OC 271570a_100016259895_100000690607 [1,2,0,0,0,0|1,0,0]=4 4462 B14R1.6787 CC=Cc1ccc(c(c1)COC)OC 271570a_100016259895_200011493686 [1,2,0,0,0,0|0,0,0]=3 4463 B14R1.6787 CC=Cc1ccc(c(c1)OCC)C#N 271570a_100016259895_100013120067 [1,2,0,0,0,0|1,0,0]=4 4464 B14R1.6787 CC=Cc1ccc(c(c1)OCC)OC 271570a_100016259895_200010219349 [1,2,0,0,0,0|0,0,0]=3 4465 B14R1.6795 CC=Cc1cc(c(cn1)O)C(=O)OC 271570a_100016259895_100010136202 [1,2,0,0,0,0|1,0,0]=4 4466 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)CC)O 271570a_100016259895_100000183607 [1,2,0,0,0,0|1,0,0]=4 4467 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)OC)Br 271570a_100016259895_100012340073 [1,2,0,0,0,0|1,0,0]=4 4468 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)OC)C 271570a_100016259895_100012360116 [1,2,0,0,0,0|1,0,0]=4 4469 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)OC)Cl 271570a_100016259895_100012353682 [1,2,0,0,0,0|1,0,0]=4 4470 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)OC)F 271570a_100016259895_100000154357 [1,2,0,0,0,0|1,0,0]=4 4471 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)OC)N 271570a_100016259895_100000212070 [1,2,0,0,0,0|1,0,0]=4 4472 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)OC)O 271570a_100016259895_100000149868 [1,2,0,0,0,0|0,0,0]=3 4473 B14R1.6795 CC=Cc1ccc(c(n1)C(=O)OC)O 271570a_100016259895_100000697862 [1,2,0,0,0,0|1,0,0]=4 4474 B14R1.492 CC=Cc1ccc(c(c1)CC)B(O)O 271570a_100016259895_200010732553 [1,2,0,0,0,0|1,0,0]=4 4475 B14R1.492 CC=Cc1ccc(c(c1)OC)B(O)O 271570a_100016259895_100010245881 [1,2,0,0,0,0|0,0,0]=3 4476 B14R1.492 CC=Cc1ccc(c(c1)OC)C(=O)C 271570a_100016259895_100000709911 [1,2,0,0,0,0|0,0,1]=4 4477 B14R1.492 CC=Cc1ccc(c(c1)OC)C(=O)N 271570a_100016259895_100000748320 [1,2,0,0,0,0|0,0,1]=4 4478 B14R1.492 CC=Cc1ccc(c(c1)OC)C(F)F 271570a_100016259895_100010146106 [1,2,0,0,0,0|1,0,0]=4 4479 B14R1.492 CC=Cc1ccc(c(n1)OC)B(O)O 271570a_100016259895_100010143858 [1,2,0,0,0,0|1,0,0]=4 4480 B14R1.3237 CC=Cc1cc(c(c(c1)OC)C#N)F 271570a_100016259895_100000697026 [1,2,0,0,0,0|1,0,0]=4 4481 B14R1.3237 CC=Cc1cc(c(c(c1)OC)C=O)F 271570a_100016259895_100010363811 [1,2,0,0,0,0|0,0,1]=4 4482 B14R1.6788 CC=Cc1ccc(c(c1)CC)OCC 271570a_100016259895_200010070707 [1,2,0,0,0,0|1,0,0]=4 4483 B14R1.6788 CC=Cc1ccc(c(c1)OC)CC#N 271570a_100016259895_100010245117 [1,2,0,0,0,0|1,0,0]=4 4484 B14R1.6788 CC=Cc1ccc(c(c1)OC)CNC 26a_100102657272_100015195088 [1,2,0,0,0,0|1,0,0]=4 4485 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 271570a_100016259895_200012344064 [1,2,0,0,0,0|0,0,0]=3 4486 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 34a_100000057189_200000210301 [1,2,0,0,0,0|0,0,0]=3 4487 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 34a_100015195088_100000210202 [1,2,0,0,0,0|0,0,0]=3 4488 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 7a_100000057189_200000210301 [1,2,0,0,0,0|0,0,0]=3 4489 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCF 34a_100015195088_100015361967 [1,2,0,0,0,0|0,0,0]=3 4490 B14R1.6788 CC=Cc1ccc(c(c1)O[13CH3])OCC 34a_100000057189_200025704644 [1,2,0,0,0,0|0,0,0]=3 4491 B14R1.6788 CC=Cc1ccc(c(c1)O[13CH3])OCC 7a_100000057189_200025704644 [1,2,0,0,0,0|0,0,0]=3 4492 B14R1.6788 CC=Cc1cnc(c(c1)OC)OCC 271570a_100016259895_200010116856 [1,2,0,0,0,0|1,0,0]=4 4493 B14R1.6788 CCOc1ccc(cc1OC)CCO 34a_100011215244_100000210202 [1,2,0,0,0,0|0,0,1]=4 4494 B14R1.6788 COc1cc(ccc1OCF)CCO 34a_100011215244_100015361967 [1,2,0,0,0,0|0,0,1]=4 4495 B14R1.6794 CC=Cc1ccc(c(c1)C(=O)C)OC 271570a_100016259895_100000173343 [1,2,0,0,0,0|1,0,0]=4 4496 B14R1.10285 CC=Cc1ccc(c(c1C)OC)OC 271570a_100016259895_100010000156 [1,2,0,0,0,0|0,0,0]=3 4497 B14R1.10285 CC=Cc1ccc(c(c1F)OC)C#N 271570a_100016259895_200010764283 [1,2,0,0,0,0|1,0,0]=4 4498 B14R1.14946 CC=Cc1cc(c(cc1F)OC)OC 271570a_100016259895_200011765842 [1,2,0,0,0,0|0,0,0]=3 4499 B14R1.14946 CC=Cc1nc(c(cc1C)OC)OC 271570a_100016259895_200011016175 [1,2,0,0,0,0|1,0,0]=4 4500 B14R1.491 CC=Cc1ccc(c(c1)C(C)(C)C)O 271570a_100016259895_100000704011 [1,2,0,0,0,0|1,0,0]=4 4501 B14R1.491 CC=Cc1ccc(c(c1)S(=O)(=O)C)O 271570a_100016259895_200015712519 [1,2,0,0,0,0|0,1,0]=4 4502 B14R1.3329 CC=Cc1cc(c(cc1C)O)C(=O)C 271570a_100016259895_200010233951 [1,2,0,0,0,0|1,0,0]=4 4503 B14R1.3329 CC=Cc1cc(c(cc1F)O)C(=O)C 271570a_100016259895_100000691652 [1,2,0,0,0,0|1,0,0]=4 4504 B14R1.15069 CC=Cc1cc(c(cc1C=O)O)OC 271570a_100016259895_100000183646 [1,2,0,0,0,0|0,0,0]=3 4505 B14R1.15069 CC=Cc1cc(c(cc1OC)Br)OC 271570a_100016259895_100013799044 [1,2,0,0,0,0|1,0,0]=4 4506 B14R1.15069 CC=Cc1cc(c(cc1OC)C)OC 271570a_100016259895_100000039368 [1,2,0,0,0,0|1,0,0]=4 4507 B14R1.15069 CC=Cc1cc(c(cc1OC)Cl)OC 271570a_100016259895_100000023288 [1,2,0,0,0,0|1,0,0]=4 4508 B14R1.15069 CC=Cc1cc(c(cc1OC)O)OC 271570a_100016259895_100009816818 [1,2,0,0,0,0|0,0,0]=3 4509 B14R1.3236 CC=Cc1cc(c(c(c1)OC)F)OC 271570a_100016259895_100015304952 [1,2,0,0,0,0|1,0,0]=4 4510 B14R1.3236 CC=Cc1cc(c(c(c1)OC)N)C#N 271570a_100016259895_200010734157 [1,2,0,0,0,0|1,0,0]=4 4511 B14R1.3236 CC=Cc1cc(c(c(c1)OC)N)CO 271570a_100016259895_100010235085 [1,2,0,0,0,0|1,0,0]=4 4512 B14R1.3236 CC=Cc1cc(c(c(c1)OC)O)CO 271570a_100016259895_100000185604 [1,2,0,0,0,0|0,0,0]=3 4513 B14R1.3236 CC=Cc1cc(c(c(c1)OC)O)OC 271570a_100016259895_100000691893 [1,2,0,0,0,0|0,0,0]=3 4514 B14R1.75 COc1cccc(c1)CC(=O)C(O)O 1458a_100000233687_100000211672 [1,2,0,0,0,0|0,0,1]=4 4515 B14R1.75 COc1cccc(c1)CC(=O)[C@@H](C)O 1458a_100000717761_100000211672 [1,2,0,0,0,0|0,0,1]=4 4516 B14R1.75 COc1cccc(c1)CC(=O)[C@H](C)O 1458a_217856618621_100000211672 [1,2,0,0,0,0|0,0,1]=4 4517 B14R1.75 COc1cccc(c1)NC(=O)C(O)O 22a_100000210024_100000233687 [1,2,0,0,0,0|1,0,0]=4 4518 B14R1.75 COc1cccc(c1)NC(=O)[C@@H](C)O 22a_100000210024_100000717761 [1,2,0,0,0,0|1,0,0]=4 4519 B14R1.75 COc1cccc(c1)NC(=O)[C@H](C)O 1626a_100000210024_217856618621 [1,2,0,0,0,0|1,0,0]=4 4520 B14R1.75 COc1cccc(c1)NC(=O)[C@H](C)O 22a_100000210024_217856618621 [1,2,0,0,0,0|1,0,0]=4 4521 B14R1.79 COc1cccc(c1)N(C)C(=O)CO 22a_100000219725_100000210174 [1,2,0,0,0,0|1,0,0]=4 4522 B14R1.79 COc1cccc(c1)N(C)C(=O)CO 527a_100000219725_100000210174 [1,2,0,0,0,0|1,0,0]=4 4523 B14R1.83 COc1cccc(c1Br)NC(=O)CO 22a_100000703447_100000210174 [1,2,0,0,0,0|1,0,0]=4 4524 B14R1.83 COc1cccc(c1Br)NC(=O)CO 527a_100000703447_100000210174 [1,2,0,0,0,0|1,0,0]=4 4525 B14R1.83 COc1cccc(c1C)CC(=O)CO 1458a_100000210174_100009876938 [1,2,0,0,0,0|0,0,1]=4 4526 B14R1.83 COc1cccc(c1C)NC(=O)CO 22a_100011244893_100000210174 [1,2,0,0,0,0|1,0,0]=4 4527 B14R1.83 COc1cccc(c1C)NC(=O)CO 527a_100011244893_100000210174 [1,2,0,0,0,0|1,0,0]=4 4528 B14R1.83 COc1cccc(c1Cl)CC(=O)CO 1458a_100000210174_200010147866 [1,2,0,0,0,0|0,0,1]=4 4529 B14R1.83 COc1cccc(c1Cl)NC(=O)CO 22a_100000089720_100000210174 [1,2,0,0,0,0|1,0,0]=4 4530 B14R1.83 COc1cccc(c1Cl)NC(=O)CO 527a_100000089720_100000210174 [1,2,0,0,0,0|1,0,0]=4 4531 B14R1.83 COc1cccc(c1F)CC(=O)CO 1458a_100000210174_100011260763 [1,2,0,0,0,0|0,0,1]=4 4532 B14R1.83 COc1cccc(c1F)NC(=O)CO 22a_100000100910_100000210174 [1,2,0,0,0,0|1,0,0]=4 4533 B14R1.83 COc1cccc(c1F)NC(=O)CO 527a_100000100910_100000210174 [1,2,0,0,0,0|1,0,0]=4 4534 B14R1.83 COc1cccc(c1O)NC(=O)CO 22a_100000123586_100000210174 [1,2,0,0,0,0|1,0,0]=4 4535 B14R1.83 COc1cccc(c1O)NC(=O)CO 527a_100000123586_100000210174 [1,2,0,0,0,0|1,0,0]=4 4536 B14R1.378 COc1cc(cc(c1)CC(=O)CO)Br 1458a_100000210174_100010162483 [1,2,0,0,0,0|0,0,1]=4 4537 B14R1.378 COc1cc(cc(c1)CC(=O)CO)Cl 1458a_100000210174_100010188059 [1,2,0,0,0,0|0,0,1]=4 4538 B14R1.378 COc1cc(cc(c1)CC(=O)CO)F 1458a_100000210174_100011934817 [1,2,0,0,0,0|0,0,1]=4 4539 B14R1.378 COc1cc(cc(c1)NC(=O)CO)Br 22a_100000750983_100000210174 [1,2,0,0,0,0|1,0,0]=4 4540 B14R1.378 COc1cc(cc(c1)NC(=O)CO)Br 527a_100000750983_100000210174 [1,2,0,0,0,0|1,0,0]=4 4541 B14R1.378 COc1cc(cc(c1)NC(=O)CO)C 22a_100012001870_100000210174 [1,2,0,0,0,0|1,0,0]=4 4542 B14R1.378 COc1cc(cc(c1)NC(=O)CO)C 527a_100012001870_100000210174 [1,2,0,0,0,0|1,0,0]=4 4543 B14R1.378 COc1cc(cc(c1)NC(=O)CO)Cl 22a_100000051436_100000210174 [1,2,0,0,0,0|1,0,0]=4 4544 B14R1.378 COc1cc(cc(c1)NC(=O)CO)Cl 527a_100000051436_100000210174 [1,2,0,0,0,0|1,0,0]=4 4545 B14R1.378 COc1cc(cc(c1)NC(=O)CO)F 22a_100000687699_100000210174 [1,2,0,0,0,0|1,0,0]=4 4546 B14R1.378 COc1cc(cc(c1)NC(=O)CO)F 527a_100000687699_100000210174 [1,2,0,0,0,0|1,0,0]=4 4547 B14R1.378 COc1cc(cc(c1)NC(=O)CO)O 22a_200000692186_100000210174 [1,2,0,0,0,0|1,0,0]=4 4548 B14R1.378 COc1cc(cc(c1)NC(=O)CO)O 527a_200000692186_100000210174 [1,2,0,0,0,0|1,0,0]=4 4549 B14R1.470 CCOc1cccc(c1)NC(=O)CO 22a_100000742568_100000210174 [1,2,0,0,0,0|1,0,0]=4 4550 B14R1.470 CCOc1cccc(c1)NC(=O)CO 527a_100000742568_100000210174 [1,2,0,0,0,0|1,0,0]=4 4551 B14R1.470 COCc1cccc(c1)NC(=O)CO 22a_100000737370_100000210174 [1,2,0,0,0,0|1,0,0]=4 4552 B14R1.470 COCc1cccc(c1)NC(=O)CO 527a_100000737370_100000210174 [1,2,0,0,0,0|1,0,0]=4 4553 B14R1.962 COCC(=O)Cc1cccc(c1)OC 1458a_100000210968_100000211672 [1,2,0,0,0,0|0,0,1]=4 4554 B14R1.962 COCC(=O)Nc1cccc(c1)OC 11a_100000210024_100000210968 [1,2,0,0,0,0|1,0,0]=4 4555 B14R1.962 COCC(=O)Nc1cccc(c1)OC 1626a_100000210024_100000210968 [1,2,0,0,0,0|1,0,0]=4 4556 B14R1.962 COCC(=O)Nc1cccc(c1)OC 22a_100000210024_100000210968 [1,2,0,0,0,0|1,0,0]=4 4557 B14R1.962 COCC(=O)Nc1cccc(c1)OC 34a_100138415774_100000183523 [1,2,0,0,0,0|1,0,0]=4 4558 B14R1.962 COCC(=O)Nc1cccc(c1)OC 527a_100000210024_100000210968 [1,2,0,0,0,0|1,0,0]=4 4559 B14R1.962 COc1cccc(c1)CC(=O)CCO 1458a_100000211281_100000211926 [1,2,0,0,0,0|0,0,1]=4 4560 B14R1.962 COc1cccc(c1)CC(=O)CCO 1458a_100011216618_100000211672 [1,2,0,0,0,0|0,0,1]=4 4561 B14R1.962 COc1cccc(c1)NC(=O)CCO 22a_100000210024_100011216618 [1,2,0,0,0,0|0,0,1]=4 4562 B14R1.3724 COc1ccc(c(c1)CC(=O)CO)Br 1458a_100000210174_100000761528 [1,2,0,0,0,0|0,0,1]=4 4563 B14R1.3724 COc1ccc(c(c1)CC(=O)CO)Cl 1458a_100000210174_100000718613 [1,2,0,0,0,0|0,0,1]=4 4564 B14R1.3724 COc1ccc(c(c1)CC(=O)CO)F 1458a_100000210174_100010243555 [1,2,0,0,0,0|0,0,1]=4 4565 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)Br 22a_100000748603_100000210174 [1,2,0,0,0,0|1,0,0]=4 4566 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)C 22a_100000760359_100000210174 [1,2,0,0,0,0|1,0,0]=4 4567 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)C 527a_100000760359_100000210174 [1,2,0,0,0,0|1,0,0]=4 4568 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)Cl 22a_100000745576_100000210174 [1,2,0,0,0,0|1,0,0]=4 4569 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)F 22a_100000764331_100000210174 [1,2,0,0,0,0|1,0,0]=4 4570 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)F 527a_100000764331_100000210174 [1,2,0,0,0,0|1,0,0]=4 4571 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)I 22a_100000748021_100000210174 [1,2,0,0,0,0|1,0,0]=4 4572 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)O 22a_100000188146_100000210174 [1,2,0,0,0,0|1,0,0]=4 4573 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)O 527a_100000188146_100000210174 [1,2,0,0,0,0|1,0,0]=4 4574 B14R1.48 CCCC=Cc1cc(cc(c1)OC)Br 271570a_100016258520_100010141301 [1,2,0,0,0,0|1,0,0]=4 4575 B14R1.48 CCCC=Cc1cc(cc(c1)OC)C 271570a_100016258520_100010187550 [1,2,0,0,0,0|1,0,0]=4 4576 B14R1.48 CCCC=Cc1cc(cc(c1)OC)Cl 271570a_100016258520_100010147680 [1,2,0,0,0,0|1,0,0]=4 4577 B14R1.48 CCCC=Cc1cc(cc(c1)OC)F 271570a_100016258520_100011934182 [1,2,0,0,0,0|1,0,0]=4 4578 B14R1.48 CCCC=Cc1cc(cc(c1)OC)N 271570a_100016258520_100000750983 [1,2,0,0,0,0|1,0,0]=4 4579 B14R1.48 CCCC=Cc1cc(cc(c1)OC)O 271570a_100016258520_100010068927 [1,2,0,0,0,0|1,0,0]=4 4580 B14R1.48 CCOC=Cc1cc(cc(c1)OC)Br 271570a_100016256518_100010141301 [1,2,0,0,0,0|1,0,0]=4 4581 B14R1.48 CCOC=Cc1cc(cc(c1)OC)C 271570a_100016256518_100010187550 [1,2,0,0,0,0|1,0,0]=4 4582 B14R1.48 CCOC=Cc1cc(cc(c1)OC)Cl 271570a_100016256518_100010147680 [1,2,0,0,0,0|1,0,0]=4 4583 B14R1.48 CCOC=Cc1cc(cc(c1)OC)F 271570a_100016256518_100011934182 [1,2,0,0,0,0|1,0,0]=4 4584 B14R1.48 CCOC=Cc1cc(cc(c1)OC)N 271570a_100016256518_100000750983 [1,2,0,0,0,0|1,0,0]=4 4585 B14R1.48 CCOC=Cc1cc(cc(c1)OC)O 271570a_100016256518_100010068927 [1,2,0,0,0,0|1,0,0]=4 4586 B14R1.48 CCc1cc(cc(c1)C=CCOC)N 271570a_100016286323_100010074814 [1,2,0,0,0,0|1,0,0]=4 4587 B14R1.48 CNc1cc(cc(c1)C=CCOC)F 271570a_100016286323_106741647397 [1,2,0,0,0,0|1,0,0]=4 4588 B14R1.48 COCC=Cc1cc(cc(c1)OC)Br 271570a_100016286323_100010141301 [1,2,0,0,0,0|0,0,0]=3 4589 B14R1.48 COCC=Cc1cc(cc(c1)OC)C 271570a_100016286323_100010187550 [1,2,0,0,0,0|0,0,0]=3 4590 B14R1.48 COCC=Cc1cc(cc(c1)OC)Cl 271570a_100016286323_100010147680 [1,2,0,0,0,0|0,0,0]=3 4591 B14R1.48 COCC=Cc1cc(cc(c1)OC)F 271570a_100016286323_100011934182 [1,2,0,0,0,0|0,0,0]=3 4592 B14R1.48 COCC=Cc1cc(cc(c1)OC)N 271570a_100016286323_100000750983 [1,2,0,0,0,0|0,0,0]=3 4593 B14R1.48 COCC=Cc1cc(cc(c1)OC)O 271570a_100016286323_100010068927 [1,2,0,0,0,0|0,0,0]=3 4594 B14R1.48 COCC=Cc1cc(cc(c1)SC)C 271570a_100016286323_200010709730 [1,2,0,0,0,0|0,1,0]=4 4595 B14R1.48 COCC=Cc1cc(cc(c1)SC)F 271570a_100016286323_200010245467 [1,2,0,0,0,0|0,1,0]=4 4596 B14R1.48 COCC=Cc1cc(cc(n1)C)OC 271570a_100016286323_200009849800 [1,2,0,0,0,0|1,0,0]=4 4597 B14R1.48 COCC=Cc1cc(cc(n1)N)OC 271570a_100016286323_100010257270 [1,2,0,0,0,0|1,0,0]=4 4598 B14R1.48 COCC=Cc1cc(cc(n1)OC)C 271570a_100016286323_100009856763 [1,2,0,0,0,0|1,0,0]=4 4599 B14R1.48 COCC=Cc1cc(cc(n1)OC)N 271570a_100016286323_100012187057 [1,2,0,0,0,0|1,0,0]=4 4600 B14R1.48 COCC=Cc1cc(nc(c1)OC)C 271570a_100016286323_100010067692 [1,2,0,0,0,0|1,0,0]=4 4601 B14R1.48 COCC=Cc1cc(nc(c1)OC)N 271570a_100016286323_100010136845 [1,2,0,0,0,0|1,0,0]=4 4602 B14R1.376 CCc1cc(cc(c1)C=CC(C)O)N 271570a_200011019289_100010074814 [1,2,0,0,0,0|1,0,0]=4 4603 B14R1.376 CNc1cc(cc(c1)C=CC(C)O)F 271570a_200011019289_106741647397 [1,2,0,0,0,0|1,0,0]=4 4604 B14R1.376 COc1cc(cc(c1)C=CC(C)C)Br 271570a_100016257149_100010141301 [1,2,0,0,0,0|1,0,0]=4 4605 B14R1.376 COc1cc(cc(c1)C=CC(C)C)C 271570a_100016257149_100010187550 [1,2,0,0,0,0|1,0,0]=4 4606 B14R1.376 COc1cc(cc(c1)C=CC(C)C)Cl 271570a_100016257149_100010147680 [1,2,0,0,0,0|1,0,0]=4 4607 B14R1.376 COc1cc(cc(c1)C=CC(C)C)F 271570a_100016257149_100011934182 [1,2,0,0,0,0|1,0,0]=4 4608 B14R1.376 COc1cc(cc(c1)C=CC(C)C)N 271570a_100016257149_100000750983 [1,2,0,0,0,0|1,0,0]=4 4609 B14R1.376 COc1cc(cc(c1)C=CC(C)C)O 271570a_100016257149_100010068927 [1,2,0,0,0,0|1,0,0]=4 4610 B14R1.376 COc1cc(cc(c1)C=CC(C)O)Br 271570a_200011019289_100010141301 [1,2,0,0,0,0|0,0,0]=3 4611 B14R1.376 COc1cc(cc(c1)C=CC(C)O)C 271570a_200011019289_100010187550 [1,2,0,0,0,0|0,0,0]=3 4612 B14R1.376 COc1cc(cc(c1)C=CC(C)O)Cl 271570a_200011019289_100010147680 [1,2,0,0,0,0|0,0,0]=3 4613 B14R1.376 COc1cc(cc(c1)C=CC(C)O)F 271570a_200011019289_100011934182 [1,2,0,0,0,0|0,0,0]=3 4614 B14R1.376 COc1cc(cc(c1)C=CC(C)O)N 271570a_200011019289_100000750983 [1,2,0,0,0,0|0,0,0]=3 4615 B14R1.376 COc1cc(cc(c1)C=CC(C)O)O 271570a_200011019289_100010068927 [1,2,0,0,0,0|0,0,0]=3 4616 B14R1.376 COc1cc(cc(n1)C)C=CC(C)O 271570a_200011019289_100010067692 [1,2,0,0,0,0|1,0,0]=4 4617 B14R1.376 COc1cc(cc(n1)C=CC(C)O)C 271570a_200011019289_100009856763 [1,2,0,0,0,0|1,0,0]=4 4618 B14R1.376 COc1cc(cc(n1)C=CC(C)O)N 271570a_200011019289_100012187057 [1,2,0,0,0,0|1,0,0]=4 4619 B14R1.376 COc1cc(cc(n1)N)C=CC(C)O 271570a_200011019289_100010136845 [1,2,0,0,0,0|1,0,0]=4 4620 B14R1.376 COc1cc(nc(c1)C=CC(C)O)C 271570a_200011019289_200009849800 [1,2,0,0,0,0|1,0,0]=4 4621 B14R1.376 COc1cc(nc(c1)C=CC(C)O)N 271570a_200011019289_100010257270 [1,2,0,0,0,0|1,0,0]=4 4622 B14R1.376 CSc1cc(cc(c1)C=CC(C)O)C 271570a_200011019289_200010709730 [1,2,0,0,0,0|0,1,0]=4 4623 B14R1.376 CSc1cc(cc(c1)C=CC(C)O)F 271570a_200011019289_200010245467 [1,2,0,0,0,0|0,1,0]=4 4624 B14R1.605 COc1cc(cc(c1)C(=O)CCO)Br 1458a_100011934030_100000211926 [1,2,0,0,0,0|0,0,1]=4 4625 B14R1.605 COc1cc(cc(c1)C(=O)CCO)C 1458a_100000117910_100000211926 [1,2,0,0,0,0|0,0,1]=4 4626 B14R1.605 COc1cc(cc(c1)C(=O)CCO)Cl 1458a_100000066651_100000211926 [1,2,0,0,0,0|0,0,1]=4 4627 B14R1.605 COc1cc(cc(c1)C(=O)CCO)F 1458a_100011934639_100000211926 [1,2,0,0,0,0|0,0,1]=4 4628 B14R1.605 COc1cc(cc(c1)C(=O)CCO)I 1458a_200010292657_100000211926 [1,2,0,0,0,0|0,0,1]=4 4629 B14R1.605 COc1cc(cc(c1)C(=O)CCO)O 1458a_100000083963_100000211926 [1,2,0,0,0,0|0,0,1]=4 4630 B14R1.74 COc1cccc(c1)C(=O)CC(C)O 1458a_100000188888_100011218427 [1,2,0,0,0,0|0,0,1]=4 4631 B14R1.471 CCOc1cccc(c1)C(=O)CCO 1458a_100000216331_100000211926 [1,2,0,0,0,0|0,0,1]=4 4632 B14R1.471 COCc1cccc(c1)C(=O)CCO 1458a_100000199024_100000211926 [1,2,0,0,0,0|0,0,1]=4 4633 B14R1.601 COc1ccc(c(c1)C(=O)CCO)Br 1458a_100000211723_100000211926 [1,2,0,0,0,0|0,0,1]=4 4634 B14R1.601 COc1ccc(c(c1)C(=O)CCO)C 1458a_100011399813_100000211926 [1,2,0,0,0,0|0,0,1]=4 4635 B14R1.601 COc1ccc(c(c1)C(=O)CCO)Cl 1458a_100000763818_100000211926 [1,2,0,0,0,0|0,0,1]=4 4636 B14R1.601 COc1ccc(c(c1)C(=O)CCO)F 1458a_100011217016_100000211926 [1,2,0,0,0,0|0,0,1]=4 4637 B14R1.601 COc1ccc(c(c1)C(=O)CCO)I 1458a_100012339533_100000211926 [1,2,0,0,0,0|0,0,1]=4 4638 B14R1.601 COc1ccc(c(c1)C(=O)CCO)O 1458a_100000211986_100000211926 [1,2,0,0,0,0|0,0,1]=4 4639 B14R1.618 COc1cccc(c1Br)C(=O)CCO 1458a_100010245468_100000211926 [1,2,0,0,0,0|0,0,1]=4 4640 B14R1.618 COc1cccc(c1C)C(=O)CCO 1458a_100011217801_100000211926 [1,2,0,0,0,0|0,0,1]=4 4641 B14R1.618 COc1cccc(c1Cl)C(=O)CCO 1458a_100000068443_100000211926 [1,2,0,0,0,0|0,0,1]=4 4642 B14R1.618 COc1cccc(c1F)C(=O)CCO 1458a_100000766180_100000211926 [1,2,0,0,0,0|0,0,1]=4 4643 B14R1.618 COc1cccc(c1I)C(=O)CCO 1458a_100010075502_100000211926 [1,2,0,0,0,0|0,0,1]=4 4644 B14R1.618 COc1cccc(c1O)C(=O)CCO 1458a_100000212136_100000211926 [1,2,0,0,0,0|0,0,1]=4 4645 B14R1.934 COCCC(=O)c1cccc(c1)OC 1458a_100000188888_100000233755 [1,2,0,0,0,0|0,0,1]=4 4646 B14R1.934 COc1cccc(c1)C(=O)CCCO 1458a_100000188888_100011215043 [1,2,0,0,0,0|0,0,1]=4 4647 B14R1.934 COc1cccc(c1)C(=O)NCCO 240690a_100000210304_100000188888 [1,2,0,0,0,0|0,0,1]=4 4648 B14R1.934 COc1cccc(c1)C(=O)NCCO 527a_100000210304_100000188888 [1,2,0,0,0,0|0,0,1]=4 4649 B14R1.885 CCCC=Cc1cc(ccc1Br)OC 271570a_100016258520_100009992028 [1,2,0,0,0,0|1,0,0]=4 4650 B14R1.885 CCCC=Cc1cc(ccc1C)OC 271570a_100016258520_100012349166 [1,2,0,0,0,0|1,0,0]=4 4651 B14R1.885 CCCC=Cc1cc(ccc1Cl)OC 271570a_100016258520_100011356938 [1,2,0,0,0,0|1,0,0]=4 4652 B14R1.885 CCCC=Cc1cc(ccc1F)OC 271570a_100016258520_100000699733 [1,2,0,0,0,0|1,0,0]=4 4653 B14R1.885 CCCC=Cc1cc(ccc1N)OC 271570a_100016258520_100015195136 [1,2,0,0,0,0|1,0,0]=4 4654 B14R1.885 CCCC=Cc1cc(ccc1O)OC 271570a_100016258520_100000685887 [1,2,0,0,0,0|1,0,0]=4 4655 B14R1.885 CCOC=Cc1cc(ccc1Br)OC 271570a_100016256518_100009992028 [1,2,0,0,0,0|1,0,0]=4 4656 B14R1.885 CCOC=Cc1cc(ccc1C)OC 271570a_100016256518_100012349166 [1,2,0,0,0,0|1,0,0]=4 4657 B14R1.885 CCOC=Cc1cc(ccc1Cl)OC 271570a_100016256518_100011356938 [1,2,0,0,0,0|1,0,0]=4 4658 B14R1.885 CCOC=Cc1cc(ccc1F)OC 271570a_100016256518_100000699733 [1,2,0,0,0,0|1,0,0]=4 4659 B14R1.885 CCOC=Cc1cc(ccc1N)OC 271570a_100016256518_100015195136 [1,2,0,0,0,0|1,0,0]=4 4660 B14R1.885 CCOC=Cc1cc(ccc1O)OC 271570a_100016256518_100000685887 [1,2,0,0,0,0|1,0,0]=4 4661 B14R1.885 CCc1ccc(c(c1)C=CCOC)F 271570a_100016286323_200010244628 [1,2,0,0,0,0|1,0,0]=4 4662 B14R1.885 CCc1ccc(c(c1)C=CCOC)N 271570a_100016286323_100012339725 [1,2,0,0,0,0|1,0,0]=4 4663 B14R1.885 CCc1ccc(c(c1)C=CCOC)O 271570a_100016286323_100012339963 [1,2,0,0,0,0|1,0,0]=4 4664 B14R1.885 CNc1ccc(c(c1)C=CCOC)C 271570a_100016286323_100000707694 [1,2,0,0,0,0|1,0,0]=4 4665 B14R1.885 COCC=Cc1cc(ccc1Br)OC 271570a_100016286323_100009992028 [1,2,0,0,0,0|0,0,0]=3 4666 B14R1.885 COCC=Cc1cc(ccc1C)OC 271570a_100016286323_100012349166 [1,2,0,0,0,0|0,0,0]=3 4667 B14R1.885 COCC=Cc1cc(ccc1Cl)OC 271570a_100016286323_100011356938 [1,2,0,0,0,0|0,0,0]=3 4668 B14R1.885 COCC=Cc1cc(ccc1F)OC 271570a_100016286323_100000699733 [1,2,0,0,0,0|0,0,0]=3 4669 B14R1.885 COCC=Cc1cc(ccc1F)SC 271570a_100016286323_200010708804 [1,2,0,0,0,0|0,1,0]=4 4670 B14R1.885 COCC=Cc1cc(ccc1N)OC 271570a_100016286323_100015195136 [1,2,0,0,0,0|0,0,0]=3 4671 B14R1.885 COCC=Cc1cc(ccc1O)OC 271570a_100016286323_100000685887 [1,2,0,0,0,0|0,0,0]=3 4672 B14R1.885 COCC=Cc1cc(cnc1F)OC 271570a_100016286323_100010068374 [1,2,0,0,0,0|1,0,0]=4 4673 B14R1.885 COCC=Cc1cc(ncc1C)OC 271570a_100016286323_100010068546 [1,2,0,0,0,0|1,0,0]=4 4674 B14R1.885 COCC=Cc1cc(ncc1Cl)OC 271570a_100016286323_100010068019 [1,2,0,0,0,0|1,0,0]=4 4675 B14R1.885 COCC=Cc1cc(ncc1F)OC 271570a_100016286323_100010160775 [1,2,0,0,0,0|1,0,0]=4 4676 B14R1.885 COCC=Cc1nc(ccc1N)OC 271570a_100016286323_100000069805 [1,2,0,0,0,0|1,0,0]=4 4677 B14R1.2335 CCc1ccc(c(c1)C=CC(C)O)F 271570a_200011019289_200010244628 [1,2,0,0,0,0|1,0,0]=4 4678 B14R1.2335 CCc1ccc(c(c1)C=CC(C)O)N 271570a_200011019289_100012339725 [1,2,0,0,0,0|1,0,0]=4 4679 B14R1.2335 CCc1ccc(c(c1)C=CC(C)O)O 271570a_200011019289_100012339963 [1,2,0,0,0,0|1,0,0]=4 4680 B14R1.2335 CNc1ccc(c(c1)C=CC(C)O)C 271570a_200011019289_100000707694 [1,2,0,0,0,0|1,0,0]=4 4681 B14R1.2335 COc1cc(c(cn1)C)C=CC(C)O 271570a_200011019289_100010068546 [1,2,0,0,0,0|1,0,0]=4 4682 B14R1.2335 COc1cc(c(cn1)Cl)C=CC(C)O 271570a_200011019289_100010068019 [1,2,0,0,0,0|1,0,0]=4 4683 B14R1.2335 COc1cc(c(cn1)F)C=CC(C)O 271570a_200011019289_100010160775 [1,2,0,0,0,0|1,0,0]=4 4684 B14R1.2335 COc1ccc(c(c1)C=CC(C)C)Br 271570a_100016257149_100009992028 [1,2,0,0,0,0|1,0,0]=4 4685 B14R1.2335 COc1ccc(c(c1)C=CC(C)C)C 271570a_100016257149_100012349166 [1,2,0,0,0,0|1,0,0]=4 4686 B14R1.2335 COc1ccc(c(c1)C=CC(C)C)Cl 271570a_100016257149_100011356938 [1,2,0,0,0,0|1,0,0]=4 4687 B14R1.2335 COc1ccc(c(c1)C=CC(C)C)F 271570a_100016257149_100000699733 [1,2,0,0,0,0|1,0,0]=4 4688 B14R1.2335 COc1ccc(c(c1)C=CC(C)C)N 271570a_100016257149_100015195136 [1,2,0,0,0,0|1,0,0]=4 4689 B14R1.2335 COc1ccc(c(c1)C=CC(C)C)O 271570a_100016257149_100000685887 [1,2,0,0,0,0|1,0,0]=4 4690 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)Br 271570a_200011019289_100009992028 [1,2,0,0,0,0|0,0,0]=3 4691 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)C 271570a_200011019289_100012349166 [1,2,0,0,0,0|0,0,0]=3 4692 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)Cl 271570a_200011019289_100011356938 [1,2,0,0,0,0|0,0,0]=3 4693 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)F 271570a_200011019289_100000699733 [1,2,0,0,0,0|0,0,0]=3 4694 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)N 271570a_200011019289_100015195136 [1,2,0,0,0,0|0,0,0]=3 4695 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)O 271570a_200011019289_100000685887 [1,2,0,0,0,0|0,0,0]=3 4696 B14R1.2335 COc1ccc(c(n1)C=CC(C)O)N 271570a_200011019289_100000069805 [1,2,0,0,0,0|1,0,0]=4 4697 B14R1.2335 COc1cnc(c(c1)C=CC(C)O)F 271570a_200011019289_100010068374 [1,2,0,0,0,0|1,0,0]=4 4698 B14R1.2335 CSc1ccc(c(c1)C=CC(C)O)F 271570a_200011019289_200010708804 [1,2,0,0,0,0|0,1,0]=4 4699 B14R1.468 CC#Cc1cccc(c1)C=CC(C)O 271570a_200011019289_200009843338 [1,2,0,0,0,0|1,0,0]=4 4700 B14R1.468 CC(O)C=Cc1cccc(c1)CCN 271570a_200011019289_100011207229 [1,2,0,0,0,0|1,0,0]=4 4701 B14R1.468 CC(O)C=Cc1cccc(c1)CCO 271570a_200011019289_100011217444 [1,2,0,0,0,0|1,0,0]=4 4702 B14R1.468 CCCc1cccc(c1)C=CC(C)O 271570a_200011019289_100000694964 [1,2,0,0,0,0|1,0,0]=4 4703 B14R1.468 CCNc1cccc(c1)C=CC(C)O 271570a_200011019289_100000738899 [1,2,0,0,0,0|1,0,0]=4 4704 B14R1.468 CCOc1cc(ccn1)C=CC(C)O 271570a_200011019289_100009995528 [1,2,0,0,0,0|1,0,0]=4 4705 B14R1.468 CCOc1cccc(c1)C=CC(C)C 271570a_100016257149_100000170002 [1,2,0,0,0,0|1,0,0]=4 4706 B14R1.468 CCOc1cccc(c1)C=CC(C)O 271570a_200011019289_100000170002 [1,2,0,0,0,0|0,0,0]=3 4707 B14R1.468 CCOc1cccc(n1)C=CC(C)O 271570a_200011019289_100000752924 [1,2,0,0,0,0|1,0,0]=4 4708 B14R1.468 CCOc1ccnc(c1)C=CC(C)O 271570a_200011019289_100011922638 [1,2,0,0,0,0|1,0,0]=4 4709 B14R1.468 CCOc1cncc(c1)C=CC(C)O 271570a_200011019289_100012029586 [1,2,0,0,0,0|1,0,0]=4 4710 B14R1.468 CCSc1cccc(c1)C=CC(C)O 271570a_200011019289_100000703699 [1,2,0,0,0,0|0,1,0]=4 4711 B14R1.468 CNCc1cccc(c1)C=CC(C)O 271570a_200011019289_100000187585 [1,2,0,0,0,0|1,0,0]=4 4712 B14R1.468 COCc1cccc(c1)C=CC(C)C 271570a_100016257149_100011493687 [1,2,0,0,0,0|1,0,0]=4 4713 B14R1.468 COCc1cccc(c1)C=CC(C)O 271570a_200011019289_100011493687 [1,2,0,0,0,0|0,0,0]=3 4714 B14R1.898 CC#Cc1cccc(c1)C=CCOC 271570a_100016286323_200009843338 [1,2,0,0,0,0|1,0,0]=4 4715 B14R1.898 CCCC=Cc1cccc(c1)COC 271570a_100016258520_100011493687 [1,2,0,0,0,0|1,0,0]=4 4716 B14R1.898 CCCC=Cc1cccc(c1)OCC 271570a_100016258520_100000170002 [1,2,0,0,0,0|1,0,0]=4 4717 B14R1.898 CCCc1cccc(c1)C=CCOC 271570a_100016286323_100000694964 [1,2,0,0,0,0|1,0,0]=4 4718 B14R1.898 CCNc1cccc(c1)C=CCOC 271570a_100016286323_100000738899 [1,2,0,0,0,0|1,0,0]=4 4719 B14R1.898 CCOC=Cc1cccc(c1)COC 271570a_100016256518_100011493687 [1,2,0,0,0,0|1,0,0]=4 4720 B14R1.898 CCOC=Cc1cccc(c1)OCC 271570a_100016256518_100000170002 [1,2,0,0,0,0|1,0,0]=4 4721 B14R1.898 CCOc1cc(ccn1)C=CCOC 271570a_100016286323_100009995528 [1,2,0,0,0,0|1,0,0]=4 4722 B14R1.898 CCOc1cccc(c1)C=CCOC 271570a_100016286323_100000170002 [1,2,0,0,0,0|0,0,0]=3 4723 B14R1.898 CCOc1cccc(n1)C=CCOC 271570a_100016286323_100000752924 [1,2,0,0,0,0|1,0,0]=4 4724 B14R1.898 CCOc1ccnc(c1)C=CCOC 271570a_100016286323_100011922638 [1,2,0,0,0,0|1,0,0]=4 4725 B14R1.898 CCOc1cncc(c1)C=CCOC 271570a_100016286323_100012029586 [1,2,0,0,0,0|1,0,0]=4 4726 B14R1.898 CCSc1cccc(c1)C=CCOC 271570a_100016286323_100000703699 [1,2,0,0,0,0|0,1,0]=4 4727 B14R1.898 CNCc1cccc(c1)C=CCOC 271570a_100016286323_100000187585 [1,2,0,0,0,0|1,0,0]=4 4728 B14R1.898 COCC=Cc1cccc(c1)CCN 271570a_100016286323_100011207229 [1,2,0,0,0,0|1,0,0]=4 4729 B14R1.898 COCC=Cc1cccc(c1)CCO 271570a_100016286323_100011217444 [1,2,0,0,0,0|1,0,0]=4 4730 B14R1.898 COCC=Cc1cccc(c1)COC 271570a_100016286323_100011493687 [1,2,0,0,0,0|0,0,0]=3 4731 B14R1.899 C=C(C)c1cccc(c1)C=CCOC 271570a_100016286323_100012123953 [1,2,0,0,0,0|1,0,0]=4 4732 B14R1.899 COCC=Cc1cccc(c1)C(=O)C 271570a_100016286323_100000210093 [1,2,0,0,0,0|1,0,0]=4 4733 B14R1.899 COCC=Cc1cccc(c1)C(C)C 271570a_100016286323_100011214899 [1,2,0,0,0,0|1,0,0]=4 4734 B14R1.899 COCC=Cc1cccc(c1)C(C)N 271570a_100016286323_100020642005 [1,2,0,0,0,0|1,0,0]=4 4735 B14R1.899 COCC=Cc1cccc(c1)C(C)O 271570a_100016286323_100000246457 [1,2,0,0,0,0|1,0,0]=4 4736 B14R1.899 COCC=Cc1cccc(c1)N(C)C 271570a_100016286323_100011215952 [1,2,0,0,0,0|1,0,0]=4 4737 B14R1.899 COCC=Cc1cccc(c1)S(=O)C 271570a_100016286323_100009816267 [1,2,0,0,0,0|0,1,0]=4 4738 B14R1.6355 C=C(C)c1cccc(c1)C=CC(C)O 271570a_200011019289_100012123953 [1,2,0,0,0,0|1,0,0]=4 4739 B14R1.6355 CC(=O)c1cccc(c1)C=CC(C)O 271570a_200011019289_100000210093 [1,2,0,0,0,0|1,0,0]=4 4740 B14R1.6355 CC(O)C=Cc1cccc(c1)C(C)C 271570a_200011019289_100011214899 [1,2,0,0,0,0|1,0,0]=4 4741 B14R1.6355 CC(O)C=Cc1cccc(c1)C(C)N 271570a_200011019289_100020642005 [1,2,0,0,0,0|1,0,0]=4 4742 B14R1.6355 CC(O)C=Cc1cccc(c1)C(C)O 271570a_200011019289_100000246457 [1,2,0,0,0,0|1,0,0]=4 4743 B14R1.6355 CC(O)C=Cc1cccc(c1)N(C)C 271570a_200011019289_100011215952 [1,2,0,0,0,0|1,0,0]=4 4744 B14R1.6355 CC(O)C=Cc1cccc(c1)S(=O)C 271570a_200011019289_100009816267 [1,2,0,0,0,0|0,1,0]=4 4745 B14R1.81 CCc1cccc(c1O)C=CC(C)O 271570a_200011019289_200010001580 [1,2,0,0,0,0|1,0,0]=4 4746 B14R1.81 CNc1cccc(c1N)C=CC(C)O 271570a_200011019289_100000695761 [1,2,0,0,0,0|1,0,0]=4 4747 B14R1.81 COc1cccc(c1C)C=CC(C)C 271570a_100016257149_100010002647 [1,2,0,0,0,0|1,0,0]=4 4748 B14R1.81 COc1cccc(c1C)C=CC(C)O 271570a_200011019289_100010002647 [1,2,0,0,0,0|0,0,0]=3 4749 B14R1.81 COc1cccc(c1Cl)C=CC(C)C 271570a_100016257149_100010147677 [1,2,0,0,0,0|1,0,0]=4 4750 B14R1.81 COc1cccc(c1Cl)C=CC(C)O 271570a_200011019289_100010147677 [1,2,0,0,0,0|0,0,0]=3 4751 B14R1.81 COc1cccc(c1F)C=CC(C)C 271570a_100016257149_100010185846 [1,2,0,0,0,0|1,0,0]=4 4752 B14R1.81 COc1cccc(c1F)C=CC(C)O 271570a_200011019289_100010185846 [1,2,0,0,0,0|0,0,0]=3 4753 B14R1.81 COc1cccc(c1N)C=CC(C)C 271570a_100016257149_100000708083 [1,2,0,0,0,0|1,0,0]=4 4754 B14R1.81 COc1cccc(c1N)C=CC(C)O 271570a_200011019289_100000708083 [1,2,0,0,0,0|0,0,0]=3 4755 B14R1.81 COc1cccc(c1O)C=CC(C)C 271570a_100016257149_100000686866 [1,2,0,0,0,0|1,0,0]=4 4756 B14R1.81 COc1cccc(c1O)C=CC(C)O 271570a_200011019289_100000686866 [1,2,0,0,0,0|0,0,0]=3 4757 B14R1.81 COc1ccnc(c1C)C=CC(C)O 271570a_200011019289_100010067686 [1,2,0,0,0,0|1,0,0]=4 4758 B14R1.81 COc1ccnc(c1F)C=CC(C)O 271570a_200011019289_200010136267 [1,2,0,0,0,0|1,0,0]=4 4759 B14R1.81 COc1ccnc(c1N)C=CC(C)O 271570a_200011019289_100000100113 [1,2,0,0,0,0|1,0,0]=4 4760 B14R1.81 COc1cncc(c1C)C=CC(C)O 271570a_200011019289_100010136163 [1,2,0,0,0,0|1,0,0]=4 4761 B14R1.81 COc1nccc(c1C)C=CC(C)O 271570a_200011019289_100010068544 [1,2,0,0,0,0|1,0,0]=4 4762 B14R1.81 COc1nccc(c1F)C=CC(C)O 271570a_200011019289_100009885657 [1,2,0,0,0,0|1,0,0]=4 4763 B14R1.900 CCCC=Cc1cccc(c1C)OC 271570a_100016258520_100010002647 [1,2,0,0,0,0|1,0,0]=4 4764 B14R1.900 CCCC=Cc1cccc(c1Cl)OC 271570a_100016258520_100010147677 [1,2,0,0,0,0|1,0,0]=4 4765 B14R1.900 CCCC=Cc1cccc(c1F)OC 271570a_100016258520_100010185846 [1,2,0,0,0,0|1,0,0]=4 4766 B14R1.900 CCCC=Cc1cccc(c1N)OC 271570a_100016258520_100000708083 [1,2,0,0,0,0|1,0,0]=4 4767 B14R1.900 CCCC=Cc1cccc(c1O)OC 271570a_100016258520_100000686866 [1,2,0,0,0,0|1,0,0]=4 4768 B14R1.900 CCOC=Cc1cccc(c1C)OC 271570a_100016256518_100010002647 [1,2,0,0,0,0|1,0,0]=4 4769 B14R1.900 CCOC=Cc1cccc(c1Cl)OC 271570a_100016256518_100010147677 [1,2,0,0,0,0|1,0,0]=4 4770 B14R1.900 CCOC=Cc1cccc(c1F)OC 271570a_100016256518_100010185846 [1,2,0,0,0,0|1,0,0]=4 4771 B14R1.900 CCOC=Cc1cccc(c1N)OC 271570a_100016256518_100000708083 [1,2,0,0,0,0|1,0,0]=4 4772 B14R1.900 CCOC=Cc1cccc(c1O)OC 271570a_100016256518_100000686866 [1,2,0,0,0,0|1,0,0]=4 4773 B14R1.900 CCc1cccc(c1O)C=CCOC 271570a_100016286323_200010001580 [1,2,0,0,0,0|1,0,0]=4 4774 B14R1.900 CNc1cccc(c1N)C=CCOC 271570a_100016286323_100000695761 [1,2,0,0,0,0|1,0,0]=4 4775 B14R1.900 COCC=Cc1cccc(c1C)OC 271570a_100016286323_100010002647 [1,2,0,0,0,0|0,0,0]=3 4776 B14R1.900 COCC=Cc1cccc(c1Cl)OC 271570a_100016286323_100010147677 [1,2,0,0,0,0|0,0,0]=3 4777 B14R1.900 COCC=Cc1cccc(c1F)OC 271570a_100016286323_100010185846 [1,2,0,0,0,0|0,0,0]=3 4778 B14R1.900 COCC=Cc1cccc(c1N)OC 271570a_100016286323_100000708083 [1,2,0,0,0,0|0,0,0]=3 4779 B14R1.900 COCC=Cc1cccc(c1O)OC 271570a_100016286323_100000686866 [1,2,0,0,0,0|0,0,0]=3 4780 B14R1.900 COCC=Cc1ccnc(c1C)OC 271570a_100016286323_100010068544 [1,2,0,0,0,0|1,0,0]=4 4781 B14R1.900 COCC=Cc1ccnc(c1F)OC 271570a_100016286323_100009885657 [1,2,0,0,0,0|1,0,0]=4 4782 B14R1.900 COCC=Cc1cncc(c1C)OC 271570a_100016286323_100010136163 [1,2,0,0,0,0|1,0,0]=4 4783 B14R1.900 COCC=Cc1nccc(c1C)OC 271570a_100016286323_100010067686 [1,2,0,0,0,0|1,0,0]=4 4784 B14R1.900 COCC=Cc1nccc(c1F)OC 271570a_100016286323_200010136267 [1,2,0,0,0,0|1,0,0]=4 4785 B14R1.900 COCC=Cc1nccc(c1N)OC 271570a_100016286323_100000100113 [1,2,0,0,0,0|1,0,0]=4 4786 B14R1.77 COC(=O)/C=C/c1cccc(c1)OC 34a_200102525237_200000210301 [1,2,0,0,0,0|0,0,1]=4 4787 B14R1.77 COC(=O)/C=C/c1cccc(c1)OC 7a_200102525237_200000210301 [1,2,0,0,0,0|0,0,1]=4 4788 B14R1.77 COC(=O)/C=C/c1cccc(c1)O[13CH3] 34a_200102525237_200025704644 [1,2,0,0,0,0|0,0,1]=4 4789 B14R1.77 COC(=O)/C=C/c1cccc(c1)O[13CH3] 7a_200102525237_200025704644 [1,2,0,0,0,0|0,0,1]=4 4790 B14R1.77 COc1cccc(c1)CCC(=O)CO 1458a_100000210174_100011713679 [1,2,0,0,0,0|0,0,1]=4 4791 B14R1.77 COc1cccc(c1)CNC(=O)CO 240690a_100000174954_100000210174 [1,2,0,0,0,0|0,0,1]=4 4792 B14R1.77 COc1cccc(c1)CNC(=O)CO 527a_100000174954_100000210174 [1,2,0,0,0,0|0,0,1]=4 4793 B14R1.77 COc1cccc(c1)NN=C(C)CO 4a_100000722927_100000211253 [1,2,0,0,0,0|1,0,0]=4 4794 B14R1.77 COc1cccc(c1)NNC(=O)CO 22a_100000722927_100000210174 [1,2,0,0,0,0|1,0,0]=4 4795 B14R1.2162 CCc1cccc(c1)C=CC(C)(C)O 271570a_200016258132_100000684523 [1,2,0,0,0,0|1,0,0]=4 4796 B14R1.2162 CNc1cccc(c1)C=CC(C)(C)O 271570a_200016258132_100000219648 [1,2,0,0,0,0|1,0,0]=4 4797 B14R1.2162 COc1cc(ccn1)C=CC(C)(C)O 271570a_200016258132_100000117307 [1,2,0,0,0,0|1,0,0]=4 4798 B14R1.2162 COc1cccc(c1)C=CC(C)(C)C 271570a_100102527731_100000170001 [1,2,0,0,0,0|1,0,0]=4 4799 B14R1.2162 COc1cccc(c1)C=CC(C)(C)O 271570a_200016258132_100000170001 [1,2,0,0,0,0|0,0,0]=3 4800 B14R1.2162 COc1cccc(n1)C=CC(C)(C)O 271570a_200016258132_100000760917 [1,2,0,0,0,0|1,0,0]=4 4801 B14R1.2162 COc1ccnc(c1)C=CC(C)(C)O 271570a_200016258132_100011216251 [1,2,0,0,0,0|1,0,0]=4 4802 B14R1.2162 COc1cncc(c1)C=CC(C)(C)O 271570a_200016258132_100000684773 [1,2,0,0,0,0|1,0,0]=4 4803 B14R1.2162 CSc1cccc(c1)C=CC(C)(C)O 271570a_200016258132_100011215954 [1,2,0,0,0,0|0,1,0]=4 4804 B14R1.76 COc1cccc(c1)C=CCC(C)C 271570a_100016259101_100000170001 [1,2,0,0,0,0|1,0,0]=4 4805 B14R1.76 COc1cccc(c1)C=CCN(C)C 270004a_100102631434_100102525843 [1,2,0,0,0,0|1,0,0]=4 4806 B14R1.228 CC/C=C\CNc1cccc(c1)OC 34a_100000210024_100103147603 [1,2,0,0,0,0|1,0,0]=4 4807 B14R1.228 CC/C=C\COc1cccc(c1)OC 34a_100000211255_100103147603 [1,2,0,0,0,0|1,0,0]=4 4808 B14R1.228 CC/C=C\COc1cccc(c1)OC 7a_100000211255_100103147603 [1,2,0,0,0,0|1,0,0]=4 4809 B14R1.228 CC/C=C\CSc1cccc(c1)OC 62a_100103147603_100000170001 [1,2,0,0,0,0|1,0,0]=4 4810 B14R1.228 CCCCC=Cc1cccc(c1)OC 271570a_100016275911_100000170001 [1,2,0,0,0,0|1,0,0]=4 4811 B14R1.228 CCNCC=Cc1cccc(c1)OC 270004a_100015525214_100102525843 [1,2,0,0,0,0|1,0,0]=4 4812 B14R1.228 COc1cccc(c1)C=NNCCO 4a_100000210001_100000170238 [1,2,0,0,0,0|0,0,1]=4 4813 B14R1.61 CCCC=Cc1cc(c(c(c1)Br)O)C 271570a_100016258520_100010982682 [1,2,0,0,0,0|1,0,0]=4 4814 B14R1.61 CCCC=Cc1cc(c(c(c1)C)O)C 271570a_100016258520_100000187306 [1,2,0,0,0,0|1,0,0]=4 4815 B14R1.61 CCCC=Cc1cc(c(c(c1)Cl)O)C 271570a_100016258520_200015900153 [1,2,0,0,0,0|1,0,0]=4 4816 B14R1.61 CCCC=Cc1cc(c(c(c1)N)O)C 271570a_100016258520_100011825904 [1,2,0,0,0,0|1,0,0]=4 4817 B14R1.61 CCOC=Cc1cc(c(c(c1)Br)O)C 271570a_100016256518_100010982682 [1,2,0,0,0,0|1,0,0]=4 4818 B14R1.61 CCOC=Cc1cc(c(c(c1)C)O)C 271570a_100016256518_100000187306 [1,2,0,0,0,0|1,0,0]=4 4819 B14R1.61 CCOC=Cc1cc(c(c(c1)Cl)O)C 271570a_100016256518_200015900153 [1,2,0,0,0,0|1,0,0]=4 4820 B14R1.61 CCOC=Cc1cc(c(c(c1)N)O)C 271570a_100016256518_100011825904 [1,2,0,0,0,0|1,0,0]=4 4821 B14R1.61 COCC=Cc1cc(c(c(c1)Br)O)C 271570a_100016286323_100010982682 [1,2,0,0,0,0|0,0,0]=3 4822 B14R1.61 COCC=Cc1cc(c(c(c1)C)C)C 271570a_100016286323_200011015895 [1,2,0,0,0,0|1,0,0]=4 4823 B14R1.61 COCC=Cc1cc(c(c(c1)C)F)C 271570a_100016286323_100009814169 [1,2,0,0,0,0|1,0,0]=4 4824 B14R1.61 COCC=Cc1cc(c(c(c1)C)N)C 271570a_100016286323_100000737279 [1,2,0,0,0,0|1,0,0]=4 4825 B14R1.61 COCC=Cc1cc(c(c(c1)C)O)C 271570a_100016286323_100000187306 [1,2,0,0,0,0|0,0,0]=3 4826 B14R1.61 COCC=Cc1cc(c(c(c1)Cl)O)C 271570a_100016286323_200015900153 [1,2,0,0,0,0|0,0,0]=3 4827 B14R1.61 COCC=Cc1cc(c(c(c1)Cl)O)Cl 271570a_100016286323_100012339652 [1,2,0,0,0,0|1,0,0]=4 4828 B14R1.61 COCC=Cc1cc(c(c(c1)F)F)C 271570a_100016286323_200011068660 [1,2,0,0,0,0|1,0,0]=4 4829 B14R1.61 COCC=Cc1cc(c(c(c1)F)F)O 271570a_100016286323_100000709865 [1,2,0,0,0,0|1,0,0]=4 4830 B14R1.61 COCC=Cc1cc(c(c(c1)F)N)C 271570a_100016286323_100000709789 [1,2,0,0,0,0|1,0,0]=4 4831 B14R1.61 COCC=Cc1cc(c(c(c1)F)N)O 271570a_100016286323_100015475841 [1,2,0,0,0,0|1,0,0]=4 4832 B14R1.61 COCC=Cc1cc(c(c(c1)F)O)F 271570a_100016286323_100011216917 [1,2,0,0,0,0|1,0,0]=4 4833 B14R1.61 COCC=Cc1cc(c(c(c1)F)O)N 271570a_100016286323_100011217383 [1,2,0,0,0,0|1,0,0]=4 4834 B14R1.61 COCC=Cc1cc(c(c(c1)N)F)C 271570a_100016286323_100010381932 [1,2,0,0,0,0|1,0,0]=4 4835 B14R1.61 COCC=Cc1cc(c(c(c1)N)N)C 271570a_100016286323_100000688557 [1,2,0,0,0,0|1,0,0]=4 4836 B14R1.61 COCC=Cc1cc(c(c(c1)N)O)C 271570a_100016286323_100011825904 [1,2,0,0,0,0|0,0,0]=3 4837 B14R1.61 COCC=Cc1cc(c(c(c1)O)N)C 271570a_100016286323_100010371313 [1,2,0,0,0,0|1,0,0]=4 4838 B14R1.708 Cc1cc(cc(c1O)Br)NC(=O)CO 22a_100010064301_100000210174 [1,2,0,0,0,0|1,0,0]=4 4839 B14R1.708 Cc1cc(cc(c1O)Br)NC(=O)CO 527a_100010064301_100000210174 [1,2,0,0,0,0|1,0,0]=4 4840 B14R1.708 Cc1cc(cc(c1O)C)NC(=O)CO 22a_100000703291_100000210174 [1,2,0,0,0,0|1,0,0]=4 4841 B14R1.708 Cc1cc(cc(c1O)C)NC(=O)CO 527a_100000703291_100000210174 [1,2,0,0,0,0|1,0,0]=4 4842 B14R1.6821 Cc1cc(cc(c1O)C)C(=O)CCO 1458a_100011219978_100000211926 [1,2,0,0,0,0|0,0,1]=4 4843 B14R1.6821 O=C(CCO)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000211926 [1,2,0,0,0,0|0,0,1]=4 4844 B14R1.6821 O=C(CCO)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000211926 [1,2,0,0,0,0|0,0,1]=4 4845 B14R1.6821 O=C(CCO)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000211926 [1,2,0,0,0,0|0,0,1]=4 4846 B14R1.15552 CC(O)C=Cc1cc(c(c(c1)Cl)O)Cl 271570a_200011019289_100012339652 [1,2,0,0,0,0|1,0,0]=4 4847 B14R1.15552 CC(O)C=Cc1cc(c(c(c1)F)F)O 271570a_200011019289_100000709865 [1,2,0,0,0,0|1,0,0]=4 4848 B14R1.15552 CC(O)C=Cc1cc(c(c(c1)F)N)O 271570a_200011019289_100015475841 [1,2,0,0,0,0|1,0,0]=4 4849 B14R1.15552 CC(O)C=Cc1cc(c(c(c1)F)O)F 271570a_200011019289_100011216917 [1,2,0,0,0,0|1,0,0]=4 4850 B14R1.15552 CC(O)C=Cc1cc(c(c(c1)F)O)N 271570a_200011019289_100011217383 [1,2,0,0,0,0|1,0,0]=4 4851 B14R1.15552 Cc1cc(cc(c1C)C)C=CC(C)O 271570a_200011019289_200011015895 [1,2,0,0,0,0|1,0,0]=4 4852 B14R1.15552 Cc1cc(cc(c1F)C)C=CC(C)O 271570a_200011019289_100009814169 [1,2,0,0,0,0|1,0,0]=4 4853 B14R1.15552 Cc1cc(cc(c1F)F)C=CC(C)O 271570a_200011019289_200011068660 [1,2,0,0,0,0|1,0,0]=4 4854 B14R1.15552 Cc1cc(cc(c1F)N)C=CC(C)O 271570a_200011019289_100010381932 [1,2,0,0,0,0|1,0,0]=4 4855 B14R1.15552 Cc1cc(cc(c1N)C)C=CC(C)O 271570a_200011019289_100000737279 [1,2,0,0,0,0|1,0,0]=4 4856 B14R1.15552 Cc1cc(cc(c1N)F)C=CC(C)O 271570a_200011019289_100000709789 [1,2,0,0,0,0|1,0,0]=4 4857 B14R1.15552 Cc1cc(cc(c1N)N)C=CC(C)O 271570a_200011019289_100000688557 [1,2,0,0,0,0|1,0,0]=4 4858 B14R1.15552 Cc1cc(cc(c1N)O)C=CC(C)O 271570a_200011019289_100010371313 [1,2,0,0,0,0|1,0,0]=4 4859 B14R1.15552 Cc1cc(cc(c1O)Br)C=CC(C)C 271570a_100016257149_100010982682 [1,2,0,0,0,0|1,0,0]=4 4860 B14R1.15552 Cc1cc(cc(c1O)Br)C=CC(C)O 271570a_200011019289_100010982682 [1,2,0,0,0,0|0,0,0]=3 4861 B14R1.15552 Cc1cc(cc(c1O)C)C=CC(C)C 271570a_100016257149_100000187306 [1,2,0,0,0,0|1,0,0]=4 4862 B14R1.15552 Cc1cc(cc(c1O)C)C=CC(C)O 271570a_200011019289_100000187306 [1,2,0,0,0,0|0,0,0]=3 4863 B14R1.15552 Cc1cc(cc(c1O)Cl)C=CC(C)C 271570a_100016257149_200015900153 [1,2,0,0,0,0|1,0,0]=4 4864 B14R1.15552 Cc1cc(cc(c1O)Cl)C=CC(C)O 271570a_200011019289_200015900153 [1,2,0,0,0,0|0,0,0]=3 4865 B14R1.15552 Cc1cc(cc(c1O)N)C=CC(C)C 271570a_100016257149_100011825904 [1,2,0,0,0,0|1,0,0]=4 4866 B14R1.15552 Cc1cc(cc(c1O)N)C=CC(C)O 271570a_200011019289_100011825904 [1,2,0,0,0,0|0,0,0]=3 4867 B14R1.628 COc1ccc(cc1C)C(=O)CCO 1458a_100011202886_100000211926 [1,2,0,0,0,0|0,0,1]=4 4868 B14R1.628 COc1ccc(cc1O)C(=O)CCO 1458a_100000766810_100000211926 [1,2,0,0,0,0|0,0,1]=4 4869 B14R1.685 CC(O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011218427 [1,2,0,0,0,0|0,0,1]=4 4870 B14R1.685 Cc1cc(ccc1O)C(=O)CC(C)O 1458a_100000685612_100011218427 [1,2,0,0,0,0|0,0,1]=4 4871 B14R1.941 COCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000233755 [1,2,0,0,0,0|0,0,1]=4 4872 B14R1.941 COCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000233755 [1,2,0,0,0,0|0,0,1]=4 4873 B14R1.941 Cc1cc(ccc1O)C(=O)CCCO 1458a_100000685612_100011215043 [1,2,0,0,0,0|0,0,1]=4 4874 B14R1.941 Cc1cc(ccc1O)C(=O)NCCO 240690a_100000210304_100000685612 [1,2,0,0,0,0|0,0,1]=4 4875 B14R1.941 O=C(CCCO)c1ccc(c(c1)O)O 1458a_100000212155_100011215043 [1,2,0,0,0,0|0,0,1]=4 4876 B14R1.7265 O=C(CCO)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000211926 [1,2,0,0,0,0|0,0,1]=4 4877 B14R1.7265 O=C(CCO)c1ccc(c(c1O)O)O 1458a_100000037941_100000211926 [1,2,0,0,0,0|0,0,1]=4 4878 B14R1.684 CC(C)(C)C=Cc1ccc(c(c1)O)O 271570a_100102527731_100009813601 [1,2,0,0,0,0|1,0,0]=4 4879 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)Br)O 271570a_200016258132_100012361655 [1,2,0,0,0,0|1,0,0]=4 4880 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)Cl)O 271570a_200016258132_100012360047 [1,2,0,0,0,0|1,0,0]=4 4881 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)F)O 271570a_200016258132_100000185481 [1,2,0,0,0,0|1,0,0]=4 4882 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)N)O 271570a_200016258132_100000752626 [1,2,0,0,0,0|1,0,0]=4 4883 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)O)Br 271570a_200016258132_100012356990 [1,2,0,0,0,0|1,0,0]=4 4884 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)O)Cl 271570a_200016258132_100011356854 [1,2,0,0,0,0|1,0,0]=4 4885 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)O)F 271570a_200016258132_100000686035 [1,2,0,0,0,0|1,0,0]=4 4886 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)O)N 271570a_200016258132_100000739049 [1,2,0,0,0,0|1,0,0]=4 4887 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)O)O 271570a_200016258132_100009813601 [1,2,0,0,0,0|0,0,0]=3 4888 B14R1.684 Cc1cc(ccc1Br)C=CC(C)(C)O 271570a_200016258132_100009813585 [1,2,0,0,0,0|1,0,0]=4 4889 B14R1.684 Cc1cc(ccc1Cl)C=CC(C)(C)O 271570a_200016258132_100000049509 [1,2,0,0,0,0|1,0,0]=4 4890 B14R1.684 Cc1cc(ccc1F)C=CC(C)(C)O 271570a_200016258132_100011218330 [1,2,0,0,0,0|1,0,0]=4 4891 B14R1.684 Cc1cc(ccc1N)C=CC(C)(C)O 271570a_200016258132_100000211769 [1,2,0,0,0,0|1,0,0]=4 4892 B14R1.684 Cc1cc(ccc1O)C=CC(C)(C)C 271570a_100102527731_100000186361 [1,2,0,0,0,0|1,0,0]=4 4893 B14R1.684 Cc1cc(ccc1O)C=CC(C)(C)O 271570a_200016258132_100000186361 [1,2,0,0,0,0|0,0,0]=3 4894 B14R1.684 Cc1cc(cnc1O)C=CC(C)(C)O 271570a_200016258132_100000685391 [1,2,0,0,0,0|1,0,0]=4 4895 B14R1.684 Cc1cc(ncc1O)C=CC(C)(C)O 271570a_200016258132_100000692680 [1,2,0,0,0,0|1,0,0]=4 4896 B14R1.684 Cc1ccc(cc1C)C=CC(C)(C)O 271570a_200016258132_100011215607 [1,2,0,0,0,0|1,0,0]=4 4897 B14R1.684 Cc1ccc(cc1O)C=CC(C)(C)O 271570a_200016258132_100000766334 [1,2,0,0,0,0|1,0,0]=4 4898 B14R1.684 Cc1nc(ccc1O)C=CC(C)(C)O 271570a_200016258132_100010233687 [1,2,0,0,0,0|1,0,0]=4 4899 B14R1.686 C[C@@H](O)C(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000717761 [1,2,0,0,0,0|1,0,0]=4 4900 B14R1.686 C[C@H](O)C(=O)Nc1ccc(c(c1)O)O 22a_100102946323_217856618621 [1,2,0,0,0,0|1,0,0]=4 4901 B14R1.686 Cc1cc(ccc1O)NC(=O)C(O)O 22a_100011218179_100000233687 [1,2,0,0,0,0|1,0,0]=4 4902 B14R1.686 Cc1cc(ccc1O)NC(=O)[C@@H](C)O 22a_100011218179_100000717761 [1,2,0,0,0,0|1,0,0]=4 4903 B14R1.686 Cc1cc(ccc1O)NC(=O)[C@H](C)O 22a_100011218179_217856618621 [1,2,0,0,0,0|1,0,0]=4 4904 B14R1.686 O=C(Nc1ccc(c(c1)O)O)C(O)O 22a_100102946323_100000233687 [1,2,0,0,0,0|1,0,0]=4 4905 B14R1.833 O=C(CO)CCc1ccc(c(c1)O)O 1458a_100000210174_200010393615 [1,2,0,0,0,0|0,0,1]=4 4906 B14R1.833 O=C(CO)NCc1ccc(c(c1)O)O 240690a_100000010075_100000210174 [1,2,0,0,0,0|0,0,1]=4 4907 B14R1.3653 CC(C)C=Cc1ccc(c(c1)O)CO 271570a_100016257149_100000071718 [1,2,0,0,0,0|1,0,0]=4 4908 B14R1.3653 CC(O)C=Cc1ccc(c(c1)Br)CO 271570a_200011019289_100010240206 [1,2,0,0,0,0|1,0,0]=4 4909 B14R1.3653 CC(O)C=Cc1ccc(c(c1)F)CO 271570a_200011019289_100011191541 [1,2,0,0,0,0|1,0,0]=4 4910 B14R1.3653 CC(O)C=Cc1ccc(c(c1)N)CO 271570a_200011019289_100000718831 [1,2,0,0,0,0|1,0,0]=4 4911 B14R1.3653 CC(O)C=Cc1ccc(c(c1)O)C#N 271570a_200011019289_100011934713 [1,2,0,0,0,0|1,0,0]=4 4912 B14R1.3653 CC(O)C=Cc1ccc(c(c1)O)C=O 271570a_200011019289_100011277552 [1,2,0,0,0,0|0,0,1]=4 4913 B14R1.3653 CC(O)C=Cc1ccc(c(c1)O)CO 271570a_200011019289_100000071718 [1,2,0,0,0,0|0,0,0]=3 4914 B14R1.3653 CNc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100000221803 [1,2,0,0,0,0|1,0,0]=4 4915 B14R1.3653 COc1ccc(cc1Br)C=CC(C)O 271570a_200011019289_100011249507 [1,2,0,0,0,0|1,0,0]=4 4916 B14R1.3653 COc1ccc(cc1C)C=CC(C)C 271570a_100016257149_100011219705 [1,2,0,0,0,0|1,0,0]=4 4917 B14R1.3653 COc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100011219705 [1,2,0,0,0,0|0,0,0]=3 4918 B14R1.3653 COc1ccc(cc1Cl)C=CC(C)O 271570a_200011019289_100012355395 [1,2,0,0,0,0|1,0,0]=4 4919 B14R1.3653 COc1ccc(cc1F)C=CC(C)O 271570a_200011019289_100000185480 [1,2,0,0,0,0|1,0,0]=4 4920 B14R1.3653 COc1ccc(cc1N)C=CC(C)O 271570a_200011019289_100000743470 [1,2,0,0,0,0|1,0,0]=4 4921 B14R1.3653 COc1ccc(cc1O)C=CC(C)C 271570a_100016257149_100009816560 [1,2,0,0,0,0|1,0,0]=4 4922 B14R1.3653 COc1ccc(cc1O)C=CC(C)O 271570a_200011019289_100009816560 [1,2,0,0,0,0|0,0,0]=3 4923 B14R1.3653 COc1ccc(nc1C)C=CC(C)O 271570a_200011019289_100010244750 [1,2,0,0,0,0|1,0,0]=4 4924 B14R1.3653 COc1cnc(cc1O)C=CC(C)O 271570a_200011019289_100010264082 [1,2,0,0,0,0|1,0,0]=4 4925 B14R1.3653 COc1ncc(cc1C)C=CC(C)O 271570a_200011019289_100011290809 [1,2,0,0,0,0|1,0,0]=4 4926 B14R1.3653 COc1ncc(cc1O)C=CC(C)O 271570a_200011019289_100010135713 [1,2,0,0,0,0|1,0,0]=4 4927 B14R1.3653 Cc1cc(ccc1C#N)C=CC(C)O 271570a_200011019289_100000687762 [1,2,0,0,0,0|1,0,0]=4 4928 B14R1.3653 Cc1cc(ccc1C=O)C=CC(C)O 271570a_200011019289_100000687586 [1,2,0,0,0,0|0,0,1]=4 4929 B14R1.3653 Cc1cc(ccc1CF)C=CC(C)O 271570a_200011019289_200010711859 [1,2,0,0,0,0|1,0,0]=4 4930 B14R1.3653 Cc1cc(ccc1CN)C=CC(C)O 271570a_200011019289_100000753881 [1,2,0,0,0,0|1,0,0]=4 4931 B14R1.3653 Cc1cc(ccc1CO)C=CC(C)C 271570a_100016257149_100000748258 [1,2,0,0,0,0|1,0,0]=4 4932 B14R1.3653 Cc1cc(ccc1CO)C=CC(C)O 271570a_200011019289_100000748258 [1,2,0,0,0,0|0,0,0]=3 4933 B14R1.3653 Cc1cc(ccc1NN)C=CC(C)O 271570a_200011019289_100000751375 [1,2,0,0,0,0|1,0,0]=4 4934 B14R1.3653 Cc1cc(cnc1CO)C=CC(C)O 271570a_200011019289_100010116297 [1,2,0,0,0,0|1,0,0]=4 4935 B14R1.3653 Cc1cc(ncc1CO)C=CC(C)O 271570a_200011019289_100010277336 [1,2,0,0,0,0|1,0,0]=4 4936 B14R1.6036 CC(O)C=Cc1cc(c(cc1Br)Cl)O 271570a_200011019289_100021297947 [1,2,0,0,0,0|1,0,0]=4 4937 B14R1.6036 CC(O)C=Cc1cc(c(cc1Cl)O)N 271570a_200011019289_100011011175 [1,2,0,0,0,0|1,0,0]=4 4938 B14R1.6036 CC(O)C=Cc1cc(c(cc1F)Cl)O 271570a_200011019289_100010735246 [1,2,0,0,0,0|1,0,0]=4 4939 B14R1.6036 CC(O)C=Cc1cc(c(cc1F)F)O 271570a_200011019289_100012457948 [1,2,0,0,0,0|1,0,0]=4 4940 B14R1.6036 CC(O)C=Cc1cc(c(cc1F)N)O 271570a_200011019289_100013038943 [1,2,0,0,0,0|1,0,0]=4 4941 B14R1.6036 CC(O)C=Cc1cc(c(cc1F)O)F 271570a_200011019289_100011830439 [1,2,0,0,0,0|1,0,0]=4 4942 B14R1.6036 CC(O)C=Cc1cc(c(cc1F)O)N 271570a_200011019289_100012359894 [1,2,0,0,0,0|1,0,0]=4 4943 B14R1.6036 Cc1cc(c(cc1Br)C)C=CC(C)O 271570a_200011019289_100011356911 [1,2,0,0,0,0|1,0,0]=4 4944 B14R1.6036 Cc1cc(c(cc1Br)Cl)C=CC(C)O 271570a_200011019289_100010259621 [1,2,0,0,0,0|1,0,0]=4 4945 B14R1.6036 Cc1cc(c(cc1Br)F)C=CC(C)O 271570a_200011019289_200009814772 [1,2,0,0,0,0|1,0,0]=4 4946 B14R1.6036 Cc1cc(c(cc1Br)N)C=CC(C)O 271570a_200011019289_200015600912 [1,2,0,0,0,0|1,0,0]=4 4947 B14R1.6036 Cc1cc(c(cc1C)C=CC(C)O)C 271570a_200011019289_100000759388 [1,2,0,0,0,0|1,0,0]=4 4948 B14R1.6036 Cc1cc(c(cc1C)C=CC(C)O)F 271570a_200011019289_100010197417 [1,2,0,0,0,0|1,0,0]=4 4949 B14R1.6036 Cc1cc(c(cc1C)C=CC(C)O)N 271570a_200011019289_100012337760 [1,2,0,0,0,0|1,0,0]=4 4950 B14R1.6036 Cc1cc(c(cc1C)C=CC(C)O)O 271570a_200011019289_100009814663 [1,2,0,0,0,0|1,0,0]=4 4951 B14R1.6036 Cc1cc(c(cc1C=CC(C)O)F)O 271570a_200011019289_100012355673 [1,2,0,0,0,0|1,0,0]=4 4952 B14R1.6036 Cc1cc(c(cc1C=CC(C)O)N)O 271570a_200011019289_200010235796 [1,2,0,0,0,0|1,0,0]=4 4953 B14R1.6036 Cc1cc(c(cc1C=CC(C)O)O)F 271570a_200011019289_100010068922 [1,2,0,0,0,0|1,0,0]=4 4954 B14R1.6036 Cc1cc(c(cc1C=CC(C)O)O)N 271570a_200011019289_200010107346 [1,2,0,0,0,0|1,0,0]=4 4955 B14R1.6036 Cc1cc(c(cc1Cl)C)C=CC(C)O 271570a_200011019289_100012357408 [1,2,0,0,0,0|1,0,0]=4 4956 B14R1.6036 Cc1cc(c(cc1F)Br)C=CC(C)O 271570a_200011019289_200009814773 [1,2,0,0,0,0|1,0,0]=4 4957 B14R1.6036 Cc1cc(c(cc1F)C)C=CC(C)O 271570a_200011019289_100010212296 [1,2,0,0,0,0|1,0,0]=4 4958 B14R1.6036 Cc1cc(c(cc1F)F)C=CC(C)O 271570a_200011019289_100000692463 [1,2,0,0,0,0|1,0,0]=4 4959 B14R1.6036 Cc1cc(c(cc1F)N)C=CC(C)O 271570a_200011019289_100011218008 [1,2,0,0,0,0|1,0,0]=4 4960 B14R1.6036 Cc1cc(c(cc1N)C)C=CC(C)O 271570a_200011019289_100011934712 [1,2,0,0,0,0|1,0,0]=4 4961 B14R1.6036 Cc1cc(c(cc1N)F)C=CC(C)O 271570a_200011019289_100000695870 [1,2,0,0,0,0|1,0,0]=4 4962 B14R1.6036 Cc1cc(c(cc1N)N)C=CC(C)O 271570a_200011019289_200013038441 [1,2,0,0,0,0|1,0,0]=4 4963 B14R1.6036 Cc1cc(c(cc1O)C)C=CC(C)C 271570a_100016257149_100000698207 [1,2,0,0,0,0|1,0,0]=4 4964 B14R1.6036 Cc1cc(c(cc1O)C)C=CC(C)O 271570a_200011019289_100000698207 [1,2,0,0,0,0|0,0,0]=3 4965 B14R1.6036 Cc1cc(c(cc1O)C=CC(C)O)F 271570a_200011019289_100014242602 [1,2,0,0,0,0|1,0,0]=4 4966 B14R1.6059 CC(O)C=Cc1ccc(c(c1F)F)O 271570a_200011019289_100011830415 [1,2,0,0,0,0|1,0,0]=4 4967 B14R1.6059 CC(O)C=Cc1ccc(c(c1F)O)Br 271570a_200011019289_200010782288 [1,2,0,0,0,0|1,0,0]=4 4968 B14R1.6059 CC(O)C=Cc1ccc(c(c1F)O)F 271570a_200011019289_100010167067 [1,2,0,0,0,0|1,0,0]=4 4969 B14R1.6059 CC(O)C=Cc1ccc(c(c1N)O)Br 271570a_200011019289_100020748643 [1,2,0,0,0,0|1,0,0]=4 4970 B14R1.6059 Cc1c(ccc(c1C)C=CC(C)C)O 271570a_100016257149_100012353674 [1,2,0,0,0,0|1,0,0]=4 4971 B14R1.6059 Cc1c(ccc(c1C)C=CC(C)O)Br 271570a_200011019289_200010185626 [1,2,0,0,0,0|1,0,0]=4 4972 B14R1.6059 Cc1c(ccc(c1C)C=CC(C)O)F 271570a_200011019289_100009816033 [1,2,0,0,0,0|1,0,0]=4 4973 B14R1.6059 Cc1c(ccc(c1C)C=CC(C)O)N 271570a_200011019289_100009816967 [1,2,0,0,0,0|1,0,0]=4 4974 B14R1.6059 Cc1c(ccc(c1C)C=CC(C)O)O 271570a_200011019289_100012353674 [1,2,0,0,0,0|0,0,0]=3 4975 B14R1.6059 Cc1c(ccc(c1Cl)C=CC(C)O)Br 271570a_200011019289_100055076181 [1,2,0,0,0,0|1,0,0]=4 4976 B14R1.6059 Cc1c(ccc(c1Cl)C=CC(C)O)Cl 271570a_200011019289_100010730154 [1,2,0,0,0,0|1,0,0]=4 4977 B14R1.6059 Cc1c(ccc(c1F)C=CC(C)C)O 271570a_100016257149_100010390934 [1,2,0,0,0,0|1,0,0]=4 4978 B14R1.6059 Cc1c(ccc(c1F)C=CC(C)O)F 271570a_200011019289_100009815987 [1,2,0,0,0,0|1,0,0]=4 4979 B14R1.6059 Cc1c(ccc(c1F)C=CC(C)O)N 271570a_200011019289_100010208198 [1,2,0,0,0,0|1,0,0]=4 4980 B14R1.6059 Cc1c(ccc(c1F)C=CC(C)O)O 271570a_200011019289_100010390934 [1,2,0,0,0,0|0,0,0]=3 4981 B14R1.6059 Cc1c(ccc(c1N)C=CC(C)O)F 271570a_200011019289_100011009917 [1,2,0,0,0,0|1,0,0]=4 4982 B14R1.6059 Cc1c(ccc(c1N)O)C=CC(C)O 271570a_200011019289_100013039247 [1,2,0,0,0,0|1,0,0]=4 4983 B14R1.6059 Cc1c(ccc(c1O)C=CC(C)O)F 271570a_200011019289_200010391124 [1,2,0,0,0,0|1,0,0]=4 4984 B14R1.6059 Cc1c(cnc(c1C)O)C=CC(C)O 271570a_200011019289_200011099879 [1,2,0,0,0,0|1,0,0]=4 4985 B14R1.6059 Cc1ccc(c(c1C)F)C=CC(C)O 271570a_200011019289_200015555822 [1,2,0,0,0,0|1,0,0]=4 4986 B14R1.909 CCCC=Cc1ccc(c(c1)C)CO 271570a_100016258520_100000748258 [1,2,0,0,0,0|1,0,0]=4 4987 B14R1.909 CCCC=Cc1ccc(c(c1)C)OC 271570a_100016258520_100011219705 [1,2,0,0,0,0|1,0,0]=4 4988 B14R1.909 CCCC=Cc1ccc(c(c1)O)CO 271570a_100016258520_100000071718 [1,2,0,0,0,0|1,0,0]=4 4989 B14R1.909 CCCC=Cc1ccc(c(c1)O)OC 271570a_100016258520_100009816560 [1,2,0,0,0,0|1,0,0]=4 4990 B14R1.909 CCOC=Cc1ccc(c(c1)C)CO 271570a_100016256518_100000748258 [1,2,0,0,0,0|1,0,0]=4 4991 B14R1.909 CCOC=Cc1ccc(c(c1)C)OC 271570a_100016256518_100011219705 [1,2,0,0,0,0|1,0,0]=4 4992 B14R1.909 CCOC=Cc1ccc(c(c1)O)CO 271570a_100016256518_100000071718 [1,2,0,0,0,0|1,0,0]=4 4993 B14R1.909 CCOC=Cc1ccc(c(c1)O)OC 271570a_100016256518_100009816560 [1,2,0,0,0,0|1,0,0]=4 4994 B14R1.909 CNc1ccc(cc1C)C=CCOC 271570a_100016286323_100000221803 [1,2,0,0,0,0|1,0,0]=4 4995 B14R1.909 COCC=Cc1cc(c(cn1)CO)C 271570a_100016286323_100010277336 [1,2,0,0,0,0|1,0,0]=4 4996 B14R1.909 COCC=Cc1cc(c(cn1)OC)O 271570a_100016286323_100010264082 [1,2,0,0,0,0|1,0,0]=4 4997 B14R1.909 COCC=Cc1ccc(c(c1)Br)CO 271570a_100016286323_100010240206 [1,2,0,0,0,0|1,0,0]=4 4998 B14R1.909 COCC=Cc1ccc(c(c1)Br)OC 271570a_100016286323_100011249507 [1,2,0,0,0,0|1,0,0]=4 4999 B14R1.909 COCC=Cc1ccc(c(c1)C)C#N 271570a_100016286323_100000687762 [1,2,0,0,0,0|1,0,0]=4 5000 B14R1.909 COCC=Cc1ccc(c(c1)C)C=O 271570a_100016286323_100000687586 [1,2,0,0,0,0|0,0,1]=4 5001 B14R1.909 COCC=Cc1ccc(c(c1)C)CF 271570a_100016286323_200010711859 [1,2,0,0,0,0|1,0,0]=4 5002 B14R1.909 COCC=Cc1ccc(c(c1)C)CN 271570a_100016286323_100000753881 [1,2,0,0,0,0|1,0,0]=4 5003 B14R1.909 COCC=Cc1ccc(c(c1)C)CO 271570a_100016286323_100000748258 [1,2,0,0,0,0|0,0,0]=3 5004 B14R1.909 COCC=Cc1ccc(c(c1)C)NN 271570a_100016286323_100000751375 [1,2,0,0,0,0|1,0,0]=4 5005 B14R1.909 COCC=Cc1ccc(c(c1)C)OC 271570a_100016286323_100011219705 [1,2,0,0,0,0|0,0,0]=3 5006 B14R1.909 COCC=Cc1ccc(c(c1)Cl)OC 271570a_100016286323_100012355395 [1,2,0,0,0,0|1,0,0]=4 5007 B14R1.909 COCC=Cc1ccc(c(c1)F)CO 271570a_100016286323_100011191541 [1,2,0,0,0,0|1,0,0]=4 5008 B14R1.909 COCC=Cc1ccc(c(c1)F)OC 271570a_100016286323_100000185480 [1,2,0,0,0,0|1,0,0]=4 5009 B14R1.909 COCC=Cc1ccc(c(c1)N)CO 271570a_100016286323_100000718831 [1,2,0,0,0,0|1,0,0]=4 5010 B14R1.909 COCC=Cc1ccc(c(c1)N)OC 271570a_100016286323_100000743470 [1,2,0,0,0,0|1,0,0]=4 5011 B14R1.909 COCC=Cc1ccc(c(c1)O)C#N 271570a_100016286323_100011934713 [1,2,0,0,0,0|1,0,0]=4 5012 B14R1.909 COCC=Cc1ccc(c(c1)O)C=O 271570a_100016286323_100011277552 [1,2,0,0,0,0|0,0,1]=4 5013 B14R1.909 COCC=Cc1ccc(c(c1)O)CO 271570a_100016286323_100000071718 [1,2,0,0,0,0|0,0,0]=3 5014 B14R1.909 COCC=Cc1ccc(c(c1)O)OC 271570a_100016286323_100009816560 [1,2,0,0,0,0|0,0,0]=3 5015 B14R1.909 COCC=Cc1ccc(c(n1)C)OC 271570a_100016286323_100010244750 [1,2,0,0,0,0|1,0,0]=4 5016 B14R1.909 COCC=Cc1cnc(c(c1)C)CO 271570a_100016286323_100010116297 [1,2,0,0,0,0|1,0,0]=4 5017 B14R1.909 COCC=Cc1cnc(c(c1)C)OC 271570a_100016286323_100011290809 [1,2,0,0,0,0|1,0,0]=4 5018 B14R1.909 COCC=Cc1cnc(c(c1)O)OC 271570a_100016286323_100010135713 [1,2,0,0,0,0|1,0,0]=4 5019 B14R1.3276 COc1ccc(cc1C)CC(=O)CO 1458a_100000210174_200011290836 [1,2,0,0,0,0|0,0,1]=4 5020 B14R1.3276 COc1ccc(cc1C)NC(=O)CO 22a_100000743268_100000210174 [1,2,0,0,0,0|1,0,0]=4 5021 B14R1.3276 COc1ccc(cc1C)NC(=O)CO 527a_100000743268_100000210174 [1,2,0,0,0,0|1,0,0]=4 5022 B14R1.3276 COc1ccc(cc1O)NC(=O)CO 22a_100000211920_100000210174 [1,2,0,0,0,0|1,0,0]=4 5023 B14R1.3276 COc1ccc(cc1O)NC(=O)CO 527a_100000211920_100000210174 [1,2,0,0,0,0|1,0,0]=4 5024 B14R1.3276 Cc1cc(ccc1CO)NC(=O)CO 22a_100000102464_100000210174 [1,2,0,0,0,0|1,0,0]=4 5025 B14R1.232 CC/C=C\CNc1ccc(c(c1)C)O 34a_100011218179_100103147603 [1,2,0,0,0,0|1,0,0]=4 5026 B14R1.232 CC/C=C\CNc1ccc(c(c1)C)O 7a_100011218179_100103147603 [1,2,0,0,0,0|1,0,0]=4 5027 B14R1.232 CC/C=C\CNc1ccc(c(c1)O)O 34a_100102946323_100103147603 [1,2,0,0,0,0|1,0,0]=4 5028 B14R1.232 CC/C=C\CSc1ccc(c(c1)C)O 62a_100103147603_100000186361 [1,2,0,0,0,0|1,0,0]=4 5029 B14R1.232 CC/C=C\CSc1ccc(c(c1)O)O 62a_100103147603_100009813601 [1,2,0,0,0,0|1,0,0]=4 5030 B14R1.232 CCCCC=Cc1ccc(c(c1)C)O 271570a_100016275911_100000186361 [1,2,0,0,0,0|1,0,0]=4 5031 B14R1.232 CCCCC=Cc1ccc(c(c1)O)O 271570a_100016275911_100009813601 [1,2,0,0,0,0|1,0,0]=4 5032 B14R1.232 Cc1cc(ccc1O)C=NNCCO 4a_100000210001_100011215669 [1,2,0,0,0,0|0,0,1]=4 5033 B14R1.232 OCCNN=Cc1ccc(c(c1)O)O 4a_100000210001_100000184535 [1,2,0,0,0,0|0,0,1]=4 5034 B14R1.687 CC(C)CC=Cc1ccc(c(c1)O)O 271570a_100016259101_100009813601 [1,2,0,0,0,0|1,0,0]=4 5035 B14R1.687 Cc1cc(ccc1O)C=CCC(C)C 271570a_100016259101_100000186361 [1,2,0,0,0,0|1,0,0]=4 5036 B14R1.967 COCC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100000210968 [1,2,0,0,0,0|1,0,0]=4 5037 B14R1.967 COCC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000210968 [1,2,0,0,0,0|1,0,0]=4 5038 B14R1.967 COCC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100000210968 [1,2,0,0,0,0|1,0,0]=4 5039 B14R1.967 COCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000210968 [1,2,0,0,0,0|1,0,0]=4 5040 B14R1.967 COCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000210968 [1,2,0,0,0,0|1,0,0]=4 5041 B14R1.967 Cc1cc(ccc1O)CC(=O)CCO 1458a_100000083968_100000211926 [1,2,0,0,0,0|0,0,1]=4 5042 B14R1.967 Cc1cc(ccc1O)NC(=O)CCO 22a_100011218179_100011216618 [1,2,0,0,0,0|0,0,1]=4 5043 B14R1.967 O=C(CCO)Cc1ccc(c(c1)O)O 1458a_100000031429_100000211926 [1,2,0,0,0,0|0,0,1]=4 5044 B14R1.967 O=C(CCO)Nc1ccc(c(c1)O)O 22a_100102946323_100011216618 [1,2,0,0,0,0|0,0,1]=4 5045 B14R1.3621 CCCC=Cc1cc(c(cc1C)O)C 271570a_100016258520_100000698207 [1,2,0,0,0,0|1,0,0]=4 5046 B14R1.3621 CCOC=Cc1cc(c(cc1C)O)C 271570a_100016256518_100000698207 [1,2,0,0,0,0|1,0,0]=4 5047 B14R1.3621 COCC=Cc1cc(c(cc1Br)Cl)O 271570a_100016286323_100021297947 [1,2,0,0,0,0|1,0,0]=4 5048 B14R1.3621 COCC=Cc1cc(c(cc1Br)F)C 271570a_100016286323_200009814773 [1,2,0,0,0,0|1,0,0]=4 5049 B14R1.3621 COCC=Cc1cc(c(cc1C)Br)C 271570a_100016286323_100011356911 [1,2,0,0,0,0|1,0,0]=4 5050 B14R1.3621 COCC=Cc1cc(c(cc1C)C)C 271570a_100016286323_100000759388 [1,2,0,0,0,0|1,0,0]=4 5051 B14R1.3621 COCC=Cc1cc(c(cc1C)Cl)C 271570a_100016286323_100012357408 [1,2,0,0,0,0|1,0,0]=4 5052 B14R1.3621 COCC=Cc1cc(c(cc1C)F)C 271570a_100016286323_100010212296 [1,2,0,0,0,0|1,0,0]=4 5053 B14R1.3621 COCC=Cc1cc(c(cc1C)F)O 271570a_100016286323_100010068922 [1,2,0,0,0,0|1,0,0]=4 5054 B14R1.3621 COCC=Cc1cc(c(cc1C)N)C 271570a_100016286323_100011934712 [1,2,0,0,0,0|1,0,0]=4 5055 B14R1.3621 COCC=Cc1cc(c(cc1C)N)O 271570a_100016286323_200010107346 [1,2,0,0,0,0|1,0,0]=4 5056 B14R1.3621 COCC=Cc1cc(c(cc1C)O)C 271570a_100016286323_100000698207 [1,2,0,0,0,0|0,0,0]=3 5057 B14R1.3621 COCC=Cc1cc(c(cc1C)O)F 271570a_100016286323_100012355673 [1,2,0,0,0,0|1,0,0]=4 5058 B14R1.3621 COCC=Cc1cc(c(cc1C)O)N 271570a_100016286323_200010235796 [1,2,0,0,0,0|1,0,0]=4 5059 B14R1.3621 COCC=Cc1cc(c(cc1Cl)Br)C 271570a_100016286323_100010259621 [1,2,0,0,0,0|1,0,0]=4 5060 B14R1.3621 COCC=Cc1cc(c(cc1Cl)O)N 271570a_100016286323_100011011175 [1,2,0,0,0,0|1,0,0]=4 5061 B14R1.3621 COCC=Cc1cc(c(cc1F)Br)C 271570a_100016286323_200009814772 [1,2,0,0,0,0|1,0,0]=4 5062 B14R1.3621 COCC=Cc1cc(c(cc1F)C)C 271570a_100016286323_100010197417 [1,2,0,0,0,0|1,0,0]=4 5063 B14R1.3621 COCC=Cc1cc(c(cc1F)C)O 271570a_100016286323_100014242602 [1,2,0,0,0,0|1,0,0]=4 5064 B14R1.3621 COCC=Cc1cc(c(cc1F)Cl)O 271570a_100016286323_100010735246 [1,2,0,0,0,0|1,0,0]=4 5065 B14R1.3621 COCC=Cc1cc(c(cc1F)F)C 271570a_100016286323_100000692463 [1,2,0,0,0,0|1,0,0]=4 5066 B14R1.3621 COCC=Cc1cc(c(cc1F)F)O 271570a_100016286323_100012457948 [1,2,0,0,0,0|1,0,0]=4 5067 B14R1.3621 COCC=Cc1cc(c(cc1F)N)C 271570a_100016286323_100000695870 [1,2,0,0,0,0|1,0,0]=4 5068 B14R1.3621 COCC=Cc1cc(c(cc1F)N)O 271570a_100016286323_100013038943 [1,2,0,0,0,0|1,0,0]=4 5069 B14R1.3621 COCC=Cc1cc(c(cc1F)O)F 271570a_100016286323_100011830439 [1,2,0,0,0,0|1,0,0]=4 5070 B14R1.3621 COCC=Cc1cc(c(cc1F)O)N 271570a_100016286323_100012359894 [1,2,0,0,0,0|1,0,0]=4 5071 B14R1.3621 COCC=Cc1cc(c(cc1N)Br)C 271570a_100016286323_200015600912 [1,2,0,0,0,0|1,0,0]=4 5072 B14R1.3621 COCC=Cc1cc(c(cc1N)C)C 271570a_100016286323_100012337760 [1,2,0,0,0,0|1,0,0]=4 5073 B14R1.3621 COCC=Cc1cc(c(cc1N)F)C 271570a_100016286323_100011218008 [1,2,0,0,0,0|1,0,0]=4 5074 B14R1.3621 COCC=Cc1cc(c(cc1N)N)C 271570a_100016286323_200013038441 [1,2,0,0,0,0|1,0,0]=4 5075 B14R1.3621 COCC=Cc1cc(c(cc1O)C)C 271570a_100016286323_100009814663 [1,2,0,0,0,0|1,0,0]=4 5076 B14R1.3622 CCCC=Cc1ccc(c(c1C)C)O 271570a_100016258520_100012353674 [1,2,0,0,0,0|1,0,0]=4 5077 B14R1.3622 CCCC=Cc1ccc(c(c1F)C)O 271570a_100016258520_100010390934 [1,2,0,0,0,0|1,0,0]=4 5078 B14R1.3622 CCOC=Cc1ccc(c(c1C)C)O 271570a_100016256518_100012353674 [1,2,0,0,0,0|1,0,0]=4 5079 B14R1.3622 CCOC=Cc1ccc(c(c1F)C)O 271570a_100016256518_100010390934 [1,2,0,0,0,0|1,0,0]=4 5080 B14R1.3622 COCC=Cc1ccc(c(c1C)C)Br 271570a_100016286323_200010185626 [1,2,0,0,0,0|1,0,0]=4 5081 B14R1.3622 COCC=Cc1ccc(c(c1C)C)F 271570a_100016286323_100009816033 [1,2,0,0,0,0|1,0,0]=4 5082 B14R1.3622 COCC=Cc1ccc(c(c1C)C)N 271570a_100016286323_100009816967 [1,2,0,0,0,0|1,0,0]=4 5083 B14R1.3622 COCC=Cc1ccc(c(c1C)C)O 271570a_100016286323_100012353674 [1,2,0,0,0,0|0,0,0]=3 5084 B14R1.3622 COCC=Cc1ccc(c(c1C)N)O 271570a_100016286323_100013039247 [1,2,0,0,0,0|1,0,0]=4 5085 B14R1.3622 COCC=Cc1ccc(c(c1Cl)C)Br 271570a_100016286323_100055076181 [1,2,0,0,0,0|1,0,0]=4 5086 B14R1.3622 COCC=Cc1ccc(c(c1Cl)C)Cl 271570a_100016286323_100010730154 [1,2,0,0,0,0|1,0,0]=4 5087 B14R1.3622 COCC=Cc1ccc(c(c1F)C)C 271570a_100016286323_200015555822 [1,2,0,0,0,0|1,0,0]=4 5088 B14R1.3622 COCC=Cc1ccc(c(c1F)C)F 271570a_100016286323_100009815987 [1,2,0,0,0,0|1,0,0]=4 5089 B14R1.3622 COCC=Cc1ccc(c(c1F)C)N 271570a_100016286323_100010208198 [1,2,0,0,0,0|1,0,0]=4 5090 B14R1.3622 COCC=Cc1ccc(c(c1F)C)O 271570a_100016286323_100010390934 [1,2,0,0,0,0|0,0,0]=3 5091 B14R1.3622 COCC=Cc1ccc(c(c1F)F)O 271570a_100016286323_100011830415 [1,2,0,0,0,0|1,0,0]=4 5092 B14R1.3622 COCC=Cc1ccc(c(c1F)O)Br 271570a_100016286323_200010782288 [1,2,0,0,0,0|1,0,0]=4 5093 B14R1.3622 COCC=Cc1ccc(c(c1F)O)F 271570a_100016286323_100010167067 [1,2,0,0,0,0|1,0,0]=4 5094 B14R1.3622 COCC=Cc1ccc(c(c1N)C)F 271570a_100016286323_100011009917 [1,2,0,0,0,0|1,0,0]=4 5095 B14R1.3622 COCC=Cc1ccc(c(c1N)O)Br 271570a_100016286323_100020748643 [1,2,0,0,0,0|1,0,0]=4 5096 B14R1.3622 COCC=Cc1ccc(c(c1O)C)F 271570a_100016286323_200010391124 [1,2,0,0,0,0|1,0,0]=4 5097 B14R1.3622 COCC=Cc1cnc(c(c1C)C)O 271570a_100016286323_200011099879 [1,2,0,0,0,0|1,0,0]=4 5098 B14R1.20236 Cc1cc(c(cc1O)C)NC(=O)CO 22a_100000720036_100000210174 [1,2,0,0,0,0|1,0,0]=4 5099 B14R1.20236 Cc1cc(c(cc1O)C)NC(=O)CO 527a_100000720036_100000210174 [1,2,0,0,0,0|1,0,0]=4 5100 B14R1.8824 Cc1c(ccc(c1C)NC(=O)CO)O 22a_200011216674_100000210174 [1,2,0,0,0,0|1,0,0]=4 5101 B14R1.8824 Cc1c(ccc(c1C)NC(=O)CO)O 527a_200011216674_100000210174 [1,2,0,0,0,0|1,0,0]=4 5102 B14R1.8824 Cc1c(ccc(c1F)NC(=O)CO)O 22a_200000126710_100000210174 [1,2,0,0,0,0|1,0,0]=4 5103 B14R1.8824 Cc1c(ccc(c1F)NC(=O)CO)O 527a_200000126710_100000210174 [1,2,0,0,0,0|1,0,0]=4 5104 B14R1.461 CCCC=Cc1ccc(cc1OC)O 271570a_100016258520_100011827694 [0,1,0,0,1,1|1,0,0]=4 5105 B14R1.461 CCOC=Cc1ccc(cc1OC)O 271570a_100016256518_100011827694 [0,1,0,0,1,1|1,0,0]=4 5106 B14R1.461 COCC=Cc1ccc(cc1OC)Br 271570a_100016286323_100010245111 [0,1,0,0,1,1|1,0,0]=4 5107 B14R1.461 COCC=Cc1ccc(cc1OC)C 271570a_100016286323_100010200004 [0,1,0,0,1,1|1,0,0]=4 5108 B14R1.461 COCC=Cc1ccc(cc1OC)Cl 271570a_100016286323_100000050115 [0,1,0,0,1,1|1,0,0]=4 5109 B14R1.461 COCC=Cc1ccc(cc1OC)F 271570a_100016286323_100000757151 [0,1,0,0,1,1|1,0,0]=4 5110 B14R1.461 COCC=Cc1ccc(cc1OC)N 271570a_100016286323_100000765947 [0,1,0,0,1,1|1,0,0]=4 5111 B14R1.461 COCC=Cc1ccc(cc1OC)O 271570a_100016286323_100011827694 [0,1,0,0,1,1|0,0,0]=3 5112 B14R1.461 COCC=Cc1ccc(nc1OC)C 271570a_100016286323_100010138632 [0,1,0,0,1,1|1,0,0]=4 5113 B14R1.461 COCC=Cc1ccc(nc1OC)N 271570a_100016286323_100010187630 [0,1,0,0,1,1|1,0,0]=4 5114 B14R1.1600 COc1cc(ccc1C=CC(C)C)O 271570a_100016257149_100011827694 [0,1,0,0,1,1|1,0,0]=4 5115 B14R1.1600 COc1cc(ccc1C=CC(C)O)Br 271570a_200011019289_100010245111 [0,1,0,0,1,1|1,0,0]=4 5116 B14R1.1600 COc1cc(ccc1C=CC(C)O)C 271570a_200011019289_100010200004 [0,1,0,0,1,1|1,0,0]=4 5117 B14R1.1600 COc1cc(ccc1C=CC(C)O)Cl 271570a_200011019289_100000050115 [0,1,0,0,1,1|1,0,0]=4 5118 B14R1.1600 COc1cc(ccc1C=CC(C)O)F 271570a_200011019289_100000757151 [0,1,0,0,1,1|1,0,0]=4 5119 B14R1.1600 COc1cc(ccc1C=CC(C)O)N 271570a_200011019289_100000765947 [0,1,0,0,1,1|1,0,0]=4 5120 B14R1.1600 COc1cc(ccc1C=CC(C)O)O 271570a_200011019289_100011827694 [0,1,0,0,1,1|0,0,0]=3 5121 B14R1.1600 COc1nc(ccc1C=CC(C)O)C 271570a_200011019289_100010138632 [0,1,0,0,1,1|1,0,0]=4 5122 B14R1.1600 COc1nc(ccc1C=CC(C)O)N 271570a_200011019289_100010187630 [0,1,0,0,1,1|1,0,0]=4 5123 B14R1.3417 COc1cc(ccc1NC(=O)CO)O 22a_100015326901_100000210174 [0,1,0,0,1,1|1,0,0]=4 5124 B14R1.3417 COc1cc(ccc1NC(=O)CO)O 527a_100015326901_100000210174 [0,1,0,0,1,1|1,0,0]=4 5125 B14R1.118 COc1c(cccc1C=CC(C)C)O 271570a_100016257149_100010234590 [0,1,0,0,1,1|1,0,0]=4 5126 B14R1.118 COc1c(cccc1C=CC(C)O)Br 271570a_200011019289_100010146560 [0,1,0,0,1,1|1,0,0]=4 5127 B14R1.118 COc1c(cccc1C=CC(C)O)C 271570a_200011019289_100010141385 [0,1,0,0,1,1|1,0,0]=4 5128 B14R1.118 COc1c(cccc1C=CC(C)O)Cl 271570a_200011019289_100010147678 [0,1,0,0,1,1|1,0,0]=4 5129 B14R1.118 COc1c(cccc1C=CC(C)O)F 271570a_200011019289_100009816759 [0,1,0,0,1,1|1,0,0]=4 5130 B14R1.118 COc1c(cccc1C=CC(C)O)N 271570a_200011019289_100011935253 [0,1,0,0,1,1|1,0,0]=4 5131 B14R1.118 COc1c(cccc1C=CC(C)O)O 271570a_200011019289_100010234590 [0,1,0,0,1,1|0,0,0]=3 5132 B14R1.118 COc1c(ccnc1C)C=CC(C)O 271570a_200011019289_100000685116 [0,1,0,0,1,1|1,0,0]=4 5133 B14R1.118 COc1c(ccnc1C=CC(C)C)O 271570a_100016257149_100000104430 [0,1,0,0,1,1|1,0,0]=4 5134 B14R1.118 COc1c(ccnc1C=CC(C)O)N 271570a_200011019289_100000104429 [0,1,0,0,1,1|1,0,0]=4 5135 B14R1.118 COc1c(ccnc1C=CC(C)O)O 271570a_200011019289_100000104430 [0,1,0,0,1,1|0,0,0]=3 5136 B14R1.118 COc1c(ccnc1Cl)C=CC(C)O 271570a_200011019289_100010068014 [0,1,0,0,1,1|1,0,0]=4 5137 B14R1.118 COc1c(ccnc1N)C=CC(C)O 271570a_200011019289_100009880012 [0,1,0,0,1,1|1,0,0]=4 5138 B14R1.118 COc1c(cncc1C=CC(C)O)N 271570a_200011019289_100012359933 [0,1,0,0,1,1|1,0,0]=4 5139 B14R1.3619 CCCC=Cc1cccc(c1OC)O 271570a_100016258520_100010234590 [0,1,0,0,1,1|1,0,0]=4 5140 B14R1.3619 CCCC=Cc1nccc(c1OC)O 271570a_100016258520_100000104430 [0,1,0,0,1,1|1,0,0]=4 5141 B14R1.3619 CCOC=Cc1cccc(c1OC)O 271570a_100016256518_100010234590 [0,1,0,0,1,1|1,0,0]=4 5142 B14R1.3619 CCOC=Cc1nccc(c1OC)O 271570a_100016256518_100000104430 [0,1,0,0,1,1|1,0,0]=4 5143 B14R1.3619 COCC=Cc1cccc(c1OC)Br 271570a_100016286323_100010146560 [0,1,0,0,1,1|1,0,0]=4 5144 B14R1.3619 COCC=Cc1cccc(c1OC)C 271570a_100016286323_100010141385 [0,1,0,0,1,1|1,0,0]=4 5145 B14R1.3619 COCC=Cc1cccc(c1OC)Cl 271570a_100016286323_100010147678 [0,1,0,0,1,1|1,0,0]=4 5146 B14R1.3619 COCC=Cc1cccc(c1OC)F 271570a_100016286323_100009816759 [0,1,0,0,1,1|1,0,0]=4 5147 B14R1.3619 COCC=Cc1cccc(c1OC)N 271570a_100016286323_100011935253 [0,1,0,0,1,1|1,0,0]=4 5148 B14R1.3619 COCC=Cc1cccc(c1OC)O 271570a_100016286323_100010234590 [0,1,0,0,1,1|0,0,0]=3 5149 B14R1.3619 COCC=Cc1ccnc(c1OC)C 271570a_100016286323_100000685116 [0,1,0,0,1,1|1,0,0]=4 5150 B14R1.3619 COCC=Cc1ccnc(c1OC)Cl 271570a_100016286323_100010068014 [0,1,0,0,1,1|1,0,0]=4 5151 B14R1.3619 COCC=Cc1ccnc(c1OC)N 271570a_100016286323_100009880012 [0,1,0,0,1,1|1,0,0]=4 5152 B14R1.3619 COCC=Cc1cncc(c1OC)N 271570a_100016286323_100012359933 [0,1,0,0,1,1|1,0,0]=4 5153 B14R1.3619 COCC=Cc1nccc(c1OC)N 271570a_100016286323_100000104429 [0,1,0,0,1,1|1,0,0]=4 5154 B14R1.3619 COCC=Cc1nccc(c1OC)O 271570a_100016286323_100000104430 [0,1,0,0,1,1|0,0,0]=3 5155 B14R1.7255 COc1c(cccc1C(=O)CCO)O 1458a_100000080799_100000211926 [0,1,0,0,1,1|0,0,1]=4 5156 B16R1.404 COc1cc(cc(c1O)Cl)C(=O)CC(C)O 1458a_100000209947_100011218427 [0,3,0,0,0,0|0,0,1]=4 5157 B16R1.404 COc1cc(cc(c1O)O)C(=O)CC(C)O 1458a_100000061230_100011218427 [0,3,0,0,0,0|0,0,1]=4 5158 B16R1.407 CCC(=O)C=Cc1cc(c(c(c1)OC)O)Br 1458a_100015195021_100000210202 [0,3,0,0,0,0|1,0,0]=4 5159 B16R1.407 CCC(=O)C=Cc1cc(c(c(c1)OC)O)Br 6a_100000186746_100000211110 [0,3,0,0,0,0|1,0,0]=4 5160 B16R1.407 CCC(=O)C=Cc1cc(c(c(c1)OC)O)C 6a_100000050991_100000211110 [0,3,0,0,0,0|1,0,0]=4 5161 B16R1.407 CCC(=O)C=Cc1cc(c(c(c1)OC)O)Cl 6a_100000010622_100000211110 [0,3,0,0,0,0|1,0,0]=4 5162 B16R1.407 CCC(=O)C=Cc1cc(c(c(c1)OC)O)F 6a_100000039941_100000211110 [0,3,0,0,0,0|1,0,0]=4 5163 B16R1.407 CCC(=O)C=Cc1cc(c(c(c1)OC)O)I 1458a_200021160827_100000210202 [0,3,0,0,0,0|1,0,0]=4 5164 B16R1.407 CCC(=O)C=Cc1cc(c(c(c1)OC)O)I 6a_100000184534_100000211110 [0,3,0,0,0,0|1,0,0]=4 5165 B16R1.407 COc1cc(cc(c1O)Br)C=CC(=O)CBr 6a_100000186746_100009888967 [0,3,0,0,0,0|1,0,0]=4 5166 B16R1.407 COc1cc(cc(c1O)Br)C=CC(=O)CCl 6a_100000186746_100000086384 [0,3,0,0,0,0|1,0,0]=4 5167 B16R1.407 COc1cc(cc(c1O)Br)C=CC(=O)CF 1458a_100015195021_100015361967 [0,3,0,0,0,0|1,0,0]=4 5168 B16R1.407 COc1cc(cc(c1O)Br)C=CC(=O)CF 6a_100000186746_100000764096 [0,3,0,0,0,0|1,0,0]=4 5169 B16R1.407 COc1cc(cc(c1O)C)C=CC(=O)CBr 6a_100000050991_100009888967 [0,3,0,0,0,0|1,0,0]=4 5170 B16R1.407 COc1cc(cc(c1O)C)C=CC(=O)CCl 6a_100000050991_100000086384 [0,3,0,0,0,0|1,0,0]=4 5171 B16R1.407 COc1cc(cc(c1O)C)C=CC(=O)CF 6a_100000050991_100000764096 [0,3,0,0,0,0|1,0,0]=4 5172 B16R1.407 COc1cc(cc(c1O)Cl)C=CC(=O)CBr 6a_100000010622_100009888967 [0,3,0,0,0,0|1,0,0]=4 5173 B16R1.407 COc1cc(cc(c1O)Cl)C=CC(=O)CCl 6a_100000010622_100000086384 [0,3,0,0,0,0|1,0,0]=4 5174 B16R1.407 COc1cc(cc(c1O)Cl)C=CC(=O)CF 6a_100000010622_100000764096 [0,3,0,0,0,0|1,0,0]=4 5175 B16R1.407 COc1cc(cc(c1O)F)C=CC(=O)CBr 6a_100000039941_100009888967 [0,3,0,0,0,0|1,0,0]=4 5176 B16R1.407 COc1cc(cc(c1O)F)C=CC(=O)CCl 6a_100000039941_100000086384 [0,3,0,0,0,0|1,0,0]=4 5177 B16R1.407 COc1cc(cc(c1O)F)C=CC(=O)CF 6a_100000039941_100000764096 [0,3,0,0,0,0|1,0,0]=4 5178 B16R1.407 COc1cc(cc(c1O)I)C=CC(=O)CBr 6a_100000184534_100009888967 [0,3,0,0,0,0|1,0,0]=4 5179 B16R1.407 COc1cc(cc(c1O)I)C=CC(=O)CCl 6a_100000184534_100000086384 [0,3,0,0,0,0|1,0,0]=4 5180 B16R1.407 COc1cc(cc(c1O)I)C=CC(=O)CF 1458a_200021160827_100015361967 [0,3,0,0,0,0|1,0,0]=4 5181 B16R1.407 COc1cc(cc(c1O)I)C=CC(=O)CF 6a_100000184534_100000764096 [0,3,0,0,0,0|1,0,0]=4 5182 B16R1.414 COc1cc(cc(c1C#N)F)C=CC(C)O 271570a_200011019289_100000697026 [0,3,0,0,0,0|1,0,0]=4 5183 B16R1.414 COc1cc(cc(c1C=O)F)C=CC(C)O 271570a_200011019289_100010363811 [0,3,0,0,0,0|0,0,1]=4 5184 B16R1.423 COc1cc(cc(c1F)OC)C=CC(C)O 271570a_200011019289_100015304952 [0,3,0,0,0,0|1,0,0]=4 5185 B16R1.423 COc1cc(cc(c1N)C#N)C=CC(C)O 271570a_200011019289_200010734157 [0,3,0,0,0,0|1,0,0]=4 5186 B16R1.423 COc1cc(cc(c1N)CO)C=CC(C)O 271570a_200011019289_100010235085 [0,3,0,0,0,0|1,0,0]=4 5187 B16R1.423 COc1cc(cc(c1O)CO)C=CC(C)C 271570a_100016257149_100000185604 [0,3,0,0,0,0|1,0,0]=4 5188 B16R1.423 COc1cc(cc(c1O)CO)C=CC(C)O 271570a_200011019289_100000185604 [0,3,0,0,0,0|0,0,0]=3 5189 B16R1.423 COc1cc(cc(c1O)OC)C=CC(C)C 271570a_100016257149_100000691893 [0,3,0,0,0,0|1,0,0]=4 5190 B16R1.423 COc1cc(cc(c1O)OC)C=CC(C)O 271570a_200011019289_100000691893 [0,3,0,0,0,0|0,0,0]=3 5191 B16R1.4035 CCOc1cc(cc(c1F)F)C=CC(C)O 271570a_200011019289_200012359421 [0,3,0,0,0,0|1,0,0]=4 5192 B16R1.11597 CCc1cc(cc(c1O)C)C=CC(C)(C)O 271570a_200016258132_100010659108 [0,3,0,0,0,0|1,0,0]=4 5193 B16R1.11597 COc1cc(cc(c1F)C)C=CC(C)(C)O 271570a_200016258132_100010271686 [0,3,0,0,0,0|1,0,0]=4 5194 B16R1.11597 COc1cc(cc(c1F)F)C=CC(C)(C)O 271570a_200016258132_100011218012 [0,3,0,0,0,0|1,0,0]=4 5195 B16R1.11597 COc1cc(cc(c1F)O)C=CC(C)(C)O 271570a_200016258132_200015524394 [0,3,0,0,0,0|1,0,0]=4 5196 B16R1.11597 COc1cc(cc(c1N)C)C=CC(C)(C)O 271570a_200016258132_100000741850 [0,3,0,0,0,0|1,0,0]=4 5197 B16R1.1045 CC(=O)Cc1cc(ccc1O)C=CC(C)O 271570a_200011019289_200010006938 [0,3,0,0,0,0|1,0,0]=4 5198 B16R1.1045 CC(=O)Oc1cc(ccc1C)C=CC(C)O 271570a_200011019289_100103282185 [0,3,0,0,0,0|1,0,0]=4 5199 B16R1.1045 CC(O)C=Cc1ccc(c(c1)OC(C)C)F 271570a_200011019289_200012350295 [0,3,0,0,0,0|1,0,0]=4 5200 B16R1.1045 CC(O)C=Cc1ccc(c(c1)OC(F)F)F 271570a_200011019289_100012359426 [0,3,0,0,0,0|1,0,0]=4 5201 B16R1.1045 CC(O)C=Cc1ccc(c(c1)OC(F)F)N 271570a_200011019289_100010212277 [0,3,0,0,0,0|1,0,0]=4 5202 B16R1.1045 Cc1ccc(cc1OC(C)C)C=CC(C)O 271570a_200011019289_200012359587 [0,3,0,0,0,0|1,0,0]=4 5203 B16R1.1097 CCC(=O)c1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000183607 [0,3,0,0,0,0|1,0,0]=4 5204 B16R1.1097 COC(=O)c1cc(ccc1Br)C=CC(C)O 271570a_200011019289_100012340073 [0,3,0,0,0,0|1,0,0]=4 5205 B16R1.1097 COC(=O)c1cc(ccc1C)C=CC(C)O 271570a_200011019289_100012360116 [0,3,0,0,0,0|1,0,0]=4 5206 B16R1.1097 COC(=O)c1cc(ccc1Cl)C=CC(C)O 271570a_200011019289_100012353682 [0,3,0,0,0,0|1,0,0]=4 5207 B16R1.1097 COC(=O)c1cc(ccc1F)C=CC(C)O 271570a_200011019289_100000154357 [0,3,0,0,0,0|1,0,0]=4 5208 B16R1.1097 COC(=O)c1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000212070 [0,3,0,0,0,0|1,0,0]=4 5209 B16R1.1097 COC(=O)c1cc(ccc1O)C=CC(C)C 271570a_100016257149_100000149868 [0,3,0,0,0,0|1,0,0]=4 5210 B16R1.1097 COC(=O)c1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000149868 [0,3,0,0,0,0|0,0,0]=3 5211 B16R1.1097 COC(=O)c1cc(ncc1O)C=CC(C)O 271570a_200011019289_100010136202 [0,3,0,0,0,0|1,0,0]=4 5212 B16R1.1097 COC(=O)c1nc(ccc1O)C=CC(C)O 271570a_200011019289_100000697862 [0,3,0,0,0,0|1,0,0]=4 5213 B16R1.1196 CCNCc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000765307 [0,3,0,0,0,0|1,0,0]=4 5214 B16R1.1196 CO/N=C/c1cc(ccc1F)C=CC(C)O 271570a_200011019289_200009812721 [0,3,0,0,0,0|1,0,0]=4 5215 B16R1.10273 CCOc1cc(ccc1C#N)C=CC(C)O 271570a_200011019289_100013120067 [0,3,0,0,0,0|1,0,0]=4 5216 B16R1.10273 CCOc1cc(ccc1OC)C=CC(C)C 271570a_100016257149_200010219349 [0,3,0,0,0,0|1,0,0]=4 5217 B16R1.10273 CCOc1cc(ccc1OC)C=CC(C)O 271570a_200011019289_200010219349 [0,3,0,0,0,0|0,0,0]=3 5218 B16R1.10273 CNCc1cc(ccc1OC)C=CC(C)O 271570a_200011019289_100000690607 [0,3,0,0,0,0|1,0,0]=4 5219 B16R1.10273 COCc1cc(ccc1OC)C=CC(C)C 271570a_100016257149_200011493686 [0,3,0,0,0,0|1,0,0]=4 5220 B16R1.10273 COCc1cc(ccc1OC)C=CC(C)O 271570a_200011019289_200011493686 [0,3,0,0,0,0|0,0,0]=3 5221 B16R1.10273 COc1ccc(cc1CCN)C=CC(C)O 271570a_200011019289_100000763266 [0,3,0,0,0,0|1,0,0]=4 5222 B16R1.12730 CCOc1cc(ccc1C)C=CC(C)(C)O 271570a_200016258132_100012361169 [0,3,0,0,0,0|1,0,0]=4 5223 B16R1.12730 CCOc1cc(ccc1F)C=CC(C)(C)O 271570a_200016258132_200012344967 [0,3,0,0,0,0|1,0,0]=4 5224 B16R1.12730 CCOc1cc(ccc1N)C=CC(C)(C)O 271570a_200016258132_100000688918 [0,3,0,0,0,0|1,0,0]=4 5225 B16R1.12730 CNCc1cc(ccc1O)C=CC(C)(C)O 271570a_200016258132_100011602694 [0,3,0,0,0,0|1,0,0]=4 5226 B16R1.12730 COCc1cc(ccc1Br)C=CC(C)(C)O 271570a_200016258132_202125822959 [0,3,0,0,0,0|1,0,0]=4 5227 B16R1.12730 COCc1cc(ccc1F)C=CC(C)(C)O 271570a_200016258132_100010140362 [0,3,0,0,0,0|1,0,0]=4 5228 B16R1.12748 CCOc1cc(ccc1O)C(=O)CC(C)O 1458a_100011260950_100011218427 [0,3,0,0,0,0|0,0,1]=4 5229 B16R1.12750 CCOc1cc(ccc1O)CNC(=O)CO 240690a_200000751567_100000210174 [0,3,0,0,0,0|0,0,1]=4 5230 B16R1.12750 CCOc1cc(ccc1O)CNC(=O)CO 527a_200000751567_100000210174 [0,3,0,0,0,0|0,0,1]=4 5231 B16R1.1075 CC(O)C=Cc1ccc(c(c1)C(C)(C)C)O 271570a_200011019289_100000704011 [0,3,0,0,0,0|1,0,0]=4 5232 B16R1.1075 CC(O)C=Cc1ccc(c(c1)S(=O)(=O)C)O 271570a_200011019289_200015712519 [0,3,0,0,0,0|0,1,0]=4 5233 B16R1.4265 COc1ccc(cc1C(=O)C)C=CC(C)O 271570a_200011019289_100000173343 [0,3,0,0,0,0|1,0,0]=4 5234 B16R1.11349 CC(=O)c1cc(c(cc1O)C)C=CC(C)O 271570a_200011019289_200010233951 [0,3,0,0,0,0|1,0,0]=4 5235 B16R1.11349 CC(=O)c1cc(c(cc1O)F)C=CC(C)O 271570a_200011019289_100000691652 [0,3,0,0,0,0|1,0,0]=4 5236 B16R1.16574 CC(=O)c1cc(ccc1O)C=CC(C)(C)O 271570a_200016258132_100000212127 [0,3,0,0,0,0|1,0,0]=4 5237 B16R1.16574 CC(C)c1cc(ccc1O)C=CC(C)(C)O 271570a_200016258132_100000691460 [0,3,0,0,0,0|1,0,0]=4 5238 B16R1.20040 COc1cc(c(cc1OC)C=CC(C)C)F 271570a_100016257149_200011765842 [0,3,0,0,0,0|1,0,0]=4 5239 B16R1.20040 COc1cc(c(cc1OC)C=CC(C)O)F 271570a_200011019289_200011765842 [0,3,0,0,0,0|0,0,0]=3 5240 B16R1.20040 COc1cc(c(nc1OC)C=CC(C)O)C 271570a_200011019289_200011016175 [0,3,0,0,0,0|1,0,0]=4 5241 B16R1.20060 COc1cc(c(cc1Br)OC)C=CC(C)O 271570a_200011019289_100013799044 [0,3,0,0,0,0|1,0,0]=4 5242 B16R1.20060 COc1cc(c(cc1C)OC)C=CC(C)O 271570a_200011019289_100000039368 [0,3,0,0,0,0|1,0,0]=4 5243 B16R1.20060 COc1cc(c(cc1Cl)OC)C=CC(C)O 271570a_200011019289_100000023288 [0,3,0,0,0,0|1,0,0]=4 5244 B16R1.20060 COc1cc(c(cc1O)C=O)C=CC(C)C 271570a_100016257149_100000183646 [0,3,0,0,0,0|1,0,0]=4 5245 B16R1.20060 COc1cc(c(cc1O)C=O)C=CC(C)O 271570a_200011019289_100000183646 [0,3,0,0,0,0|0,0,0]=3 5246 B16R1.20060 COc1cc(c(cc1O)OC)C=CC(C)C 271570a_100016257149_100009816818 [0,3,0,0,0,0|1,0,0]=4 5247 B16R1.20060 COc1cc(c(cc1O)OC)C=CC(C)O 271570a_200011019289_100009816818 [0,3,0,0,0,0|0,0,0]=3 5248 B16R1.20063 COc1cc(c(cc1Br)Br)C=CC(C)(C)O 271570a_200016258132_200014006352 [0,3,0,0,0,0|1,0,0]=4 5249 B16R1.20063 COc1cc(c(cc1C)N)C=CC(C)(C)O 271570a_200016258132_200010584344 [0,3,0,0,0,0|1,0,0]=4 5250 B16R1.20063 COc1cc(c(cc1Cl)F)C=CC(C)(C)O 271570a_200016258132_100010739614 [0,3,0,0,0,0|1,0,0]=4 5251 B16R1.20063 COc1cc(c(cc1F)C)C=CC(C)(C)O 271570a_200016258132_100011009880 [0,3,0,0,0,0|1,0,0]=4 5252 B16R1.20063 COc1cc(c(cc1F)F)C=CC(C)(C)O 271570a_200016258132_200015541288 [0,3,0,0,0,0|1,0,0]=4 5253 B16R1.20063 COc1cc(c(cc1F)N)C=CC(C)(C)O 271570a_200016258132_100010365326 [0,3,0,0,0,0|1,0,0]=4 5254 B16R1.20063 COc1cc(c(cc1N)C)C=CC(C)(C)O 271570a_200016258132_100010141321 [0,3,0,0,0,0|1,0,0]=4 5255 B16R1.20063 COc1cc(c(cc1N)F)C=CC(C)(C)O 271570a_200016258132_100012766639 [0,3,0,0,0,0|1,0,0]=4 5256 B16R1.20063 COc1cc(c(cc1O)F)C=CC(C)(C)C 271570a_100102527731_100010189133 [0,3,0,0,0,0|1,0,0]=4 5257 B16R1.20063 COc1cc(c(cc1O)F)C=CC(C)(C)O 271570a_200016258132_100010189133 [0,3,0,0,0,0|0,0,0]=3 5258 B16R1.4766 COc1cc(ccc1O)NC(=O)C(C)(C)O 22a_100000726020_100000242741 [0,3,0,0,0,0|1,0,0]=4 5259 B16R1.33580 COc1c(ccc(c1F)C=CC(C)(C)O)Cl 271570a_200016258132_200135222481 [0,3,0,0,0,0|1,0,0]=4 5260 B16R1.33580 COc1c(ccc(c1F)C=CC(C)(C)O)N 271570a_200016258132_100010734149 [0,3,0,0,0,0|1,0,0]=4 5261 B16R1.84799 CCc1cc(ccc1OC)C=CC(C)(C)O 271570a_200016258132_200010179862 [0,3,0,0,0,0|1,0,0]=4 5262 B16R1.84799 CCc1ccc(cc1OC)C=CC(C)(C)O 271570a_200016258132_200010710398 [0,3,0,0,0,0|1,0,0]=4 5263 B16R1.84799 COc1cc(ccc1C#N)C=CC(C)(C)O 271570a_200016258132_100000694671 [0,3,0,0,0,0|1,0,0]=4 5264 B16R1.84799 COc1cc(ccc1C=O)C=CC(C)(C)O 271570a_200016258132_100000697075 [0,3,0,0,0,0|0,0,1]=4 5265 B16R1.84799 COc1cc(ccc1CO)C=CC(C)(C)C 271570a_100102527731_100011277633 [0,3,0,0,0,0|1,0,0]=4 5266 B16R1.84799 COc1cc(ccc1CO)C=CC(C)(C)O 271570a_200016258132_100011277633 [0,3,0,0,0,0|0,0,0]=3 5267 B16R1.84799 COc1cc(ccc1SC)C=CC(C)(C)O 271570a_200016258132_200011001119 [0,3,0,0,0,0|0,1,0]=4 5268 B16R1.84799 COc1cc(cnc1CO)C=CC(C)(C)O 271570a_200016258132_200010246159 [0,3,0,0,0,0|1,0,0]=4 5269 B16R1.84799 COc1cc(cnc1OC)C=CC(C)(C)O 271570a_200016258132_100010234541 [0,3,0,0,0,0|1,0,0]=4 5270 B16R1.84799 COc1cc(ncc1CO)C=CC(C)(C)O 271570a_200016258132_100010714672 [0,3,0,0,0,0|1,0,0]=4 5271 B16R1.84799 COc1ccc(cc1OC)C=CC(C)(C)C 271570a_100102527731_100000187503 [0,3,0,0,0,0|1,0,0]=4 5272 B16R1.84799 COc1ccc(cc1OC)C=CC(C)(C)O 271570a_200016258132_100000187503 [0,3,0,0,0,0|0,0,0]=3 5273 B16R1.84799 COc1ccc(cc1SC)C=CC(C)(C)O 271570a_200016258132_200009892704 [0,3,0,0,0,0|0,1,0]=4 5274 B16R1.84799 COc1ccc(nc1OC)C=CC(C)(C)O 271570a_200016258132_100010214848 [0,3,0,0,0,0|1,0,0]=4 5275 B16R1.84799 COc1nc(ccc1CO)C=CC(C)(C)O 271570a_200016258132_100010988397 [0,3,0,0,0,0|1,0,0]=4 5276 B16R1.4273 COc1ccc(cc1OC)C(=O)CC(C)O 1458a_100000211223_100011218427 [0,3,0,0,0,0|0,0,1]=4 5277 B16R1.4727 CCC(=O)CC(=O)c1ccc(c(c1)OC)O 1458a_100000210414_100010206313 [0,3,0,0,0,0|1,0,0]=4 5278 B16R1.4727 CCC(=O)CC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000747405 [0,3,0,0,0,0|1,0,0]=4 5279 B16R1.4727 CCC(O)CC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100011218378 [0,3,0,0,0,0|0,0,1]=4 5280 B16R1.4727 COc1cc(ccc1Br)C(=O)CC(=O)CO 1458a_100000210174_200010710740 [0,3,0,0,0,0|1,0,0]=4 5281 B16R1.4727 COc1cc(ccc1F)C(=O)CC(=O)CO 1458a_100000210174_200012348595 [0,3,0,0,0,0|1,0,0]=4 5282 B16R1.4727 COc1cc(ccc1O)C(=O)CC(=O)CO 1458a_100000210174_100010206313 [0,3,0,0,0,0|0,0,0]=3 5283 B16R1.4727 COc1cc(ccc1O)C(=O)C[C@@H](C)CO 1458a_100000687070_100000059175 [0,3,0,0,0,0|0,0,1]=4 5284 B16R1.4727 COc1cc(ccc1O)C(=O)N[C@H](C)CO 240690a_100000737577_100000687070 [0,3,0,0,0,0|0,0,1]=4 5285 B16R1.4274 COc1cc(ccc1CO)NC(=O)C(O)O 22a_100012183141_100000233687 [0,3,0,0,0,0|1,0,0]=4 5286 B16R1.4274 COc1cc(ccc1CO)NC(=O)[C@@H](C)O 22a_100012183141_100000717761 [0,3,0,0,0,0|1,0,0]=4 5287 B16R1.4274 COc1cc(ccc1CO)NC(=O)[C@H](C)O 22a_100012183141_217856618621 [0,3,0,0,0,0|1,0,0]=4 5288 B16R1.4274 COc1ccc(cc1OC)NC(=O)C(O)O 22a_100000187404_100000233687 [0,3,0,0,0,0|1,0,0]=4 5289 B16R1.4274 COc1ccc(cc1OC)NC(=O)[C@@H](C)O 22a_100000187404_100000717761 [0,3,0,0,0,0|1,0,0]=4 5290 B16R1.4274 COc1ccc(cc1OC)NC(=O)[C@H](C)O 1626a_100000187404_217856618621 [0,3,0,0,0,0|1,0,0]=4 5291 B16R1.4274 COc1ccc(cc1OC)NC(=O)[C@H](C)O 22a_100000187404_217856618621 [0,3,0,0,0,0|1,0,0]=4 5292 B16R1.4730 C=C(CO)C(=O)Nc1ccc(c(c1)OC)Br 22a_100000765947_200000705526 [0,3,0,0,0,0|1,0,0]=4 5293 B16R1.4730 C=C(CO)C(=O)Nc1ccc(c(c1)OC)C 22a_100011279678_200000705526 [0,3,0,0,0,0|1,0,0]=4 5294 B16R1.4730 C=C(CO)C(=O)Nc1ccc(c(c1)OC)Cl 22a_100000742311_200000705526 [0,3,0,0,0,0|1,0,0]=4 5295 B16R1.4730 C=C(CO)C(=O)Nc1ccc(c(c1)OC)F 22a_100000701188_200000705526 [0,3,0,0,0,0|1,0,0]=4 5296 B16R1.4730 C=C(CO)C(=O)Nc1ccc(c(c1)OC)I 22a_100000746945_200000705526 [0,3,0,0,0,0|1,0,0]=4 5297 B16R1.4730 C=C(CO)C(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_200000705526 [0,3,0,0,0,0|0,0,0]=3 5298 B16R1.4730 CCC(O)C(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100011196387 [0,3,0,0,0,0|1,0,0]=4 5299 B16R1.4730 COc1cc(ccc1O)NC(=O)C(C)OC 22a_100000726020_100000743197 [0,3,0,0,0,0|1,0,0]=4 5300 B16R1.4730 COc1cc(ccc1O)NC(=O)C(C)OC 527a_100000726020_100000743197 [0,3,0,0,0,0|1,0,0]=4 5301 B16R1.4730 COc1cc(ccc1O)NC(=O)C(O)CO 22a_100000726020_100011215603 [0,3,0,0,0,0|0,0,1]=4 5302 B16R1.4276 CCC(=O)C=Cc1ccc(c(c1)OC)OC 1458a_100015194992_100000210202 [0,3,0,0,0,0|1,0,0]=4 5303 B16R1.4276 COC(=O)C=Cc1ccc(c(c1)OC)OC 34a_100000149373_200000210301 [0,3,0,0,0,0|0,0,1]=4 5304 B16R1.4276 COC(=O)C=Cc1ccc(c(c1)OC)OC 34a_100000724557_200000210301 [0,3,0,0,0,0|0,0,1]=4 5305 B16R1.4276 COC(=O)C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100000149373_200025704644 [0,3,0,0,0,0|0,0,1]=4 5306 B16R1.4276 COC(=O)C=Cc1ccc(c(c1)O[13CH3])OC 34a_100000724557_200025704644 [0,3,0,0,0,0|0,0,1]=4 5307 B16R1.4276 COc1ccc(cc1OC)C=CC(=O)CF 1458a_100015194992_100015361967 [0,3,0,0,0,0|1,0,0]=4 5308 B16R1.4276 COc1ccc(cc1OC)CCC(=O)CO 1458a_100000210174_100011740610 [0,3,0,0,0,0|0,0,1]=4 5309 B16R1.4276 COc1ccc(cc1OC)CNC(=O)CO 240690a_100000185555_100000210174 [0,3,0,0,0,0|0,0,1]=4 5310 B16R1.4276 COc1ccc(cc1OC)CNC(=O)CO 527a_100000185555_100000210174 [0,3,0,0,0,0|0,0,1]=4 5311 B16R1.4276 COc1ccc(cc1OC)NN=C(C)CO 4a_100000071703_100000211253 [0,3,0,0,0,0|1,0,0]=4 5312 B16R1.4710 COc1cc(ccc1O)C=CC(=O)C(C)C 1458a_100000182119_100000210206 [0,3,0,0,0,0|1,0,0]=4 5313 B16R1.4710 COc1cc(ccc1O)CCC(=O)C(O)O 1458a_100000233687_100010741665 [0,3,0,0,0,0|0,0,1]=4 5314 B16R1.4710 COc1cc(ccc1O)CCC(=O)[C@@H](C)O 1458a_100000717761_100010741665 [0,3,0,0,0,0|0,0,1]=4 5315 B16R1.4710 COc1cc(ccc1O)CCC(=O)[C@H](C)O 1458a_217856618621_100010741665 [0,3,0,0,0,0|0,0,1]=4 5316 B16R1.4710 COc1cc(ccc1O)CNC(=O)C(O)O 240690a_100000185554_100000233687 [0,3,0,0,0,0|0,0,1]=4 5317 B16R1.4710 COc1cc(ccc1O)CNC(=O)[C@@H](C)O 240690a_100000185554_100000717761 [0,3,0,0,0,0|0,0,1]=4 5318 B16R1.4710 COc1cc(ccc1O)CNC(=O)[C@H](C)O 240690a_100000185554_217856618621 [0,3,0,0,0,0|0,0,1]=4 5319 B16R1.15083 C#CCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000184674 [0,3,0,0,0,0|1,0,0]=4 5320 B16R1.15083 C=CCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000210623 [0,3,0,0,0,0|1,0,0]=4 5321 B16R1.15083 CCCC(=O)C=Cc1ccc(c(c1)OC)O 1458a_100000182119_100000210303 [0,3,0,0,0,0|1,0,0]=4 5322 B16R1.15083 CCOC(=O)C=Cc1ccc(c(c1)OC)O 271570a_100010199719_100000694246 [0,3,0,0,0,0|0,0,1]=4 5323 B16R1.15083 COCC(=O)C=Cc1ccc(c(c1)OC)C 6a_100000719150_100000211753 [0,3,0,0,0,0|1,0,0]=4 5324 B16R1.15083 COCC(=O)C=Cc1ccc(c(c1)OC)Cl 6a_100011998524_100000211753 [0,3,0,0,0,0|1,0,0]=4 5325 B16R1.15083 COCC(=O)C=Cc1ccc(c(c1)OC)F 6a_100000692873_100000211753 [0,3,0,0,0,0|1,0,0]=4 5326 B16R1.15083 COCC(=O)CCc1ccc(c(c1)OC)O 1458a_100000210968_100010741665 [0,3,0,0,0,0|0,0,1]=4 5327 B16R1.15083 COCC(=O)NCc1ccc(c(c1)OC)O 11a_100000185554_100000210968 [0,3,0,0,0,0|0,0,1]=4 5328 B16R1.15083 COCC(=O)NCc1ccc(c(c1)OC)O 240690a_100000185554_100000210968 [0,3,0,0,0,0|0,0,1]=4 5329 B16R1.15083 COCC(=O)NCc1ccc(c(c1)OC)O 527a_100000185554_100000210968 [0,3,0,0,0,0|0,0,1]=4 5330 B16R1.15083 COc1cc(ccc1Br)C=CC(=O)CCO 1458a_100016267305_100000211926 [0,3,0,0,0,0|1,0,0]=4 5331 B16R1.15083 COc1cc(ccc1O)C=CC(=O)CC#N 1458a_100000182119_100011214920 [0,3,0,0,0,0|1,0,0]=4 5332 B16R1.15083 COc1cc(ccc1O)C=CC(=O)CCF 1458a_100000182119_100011217306 [0,3,0,0,0,0|1,0,0]=4 5333 B16R1.15083 COc1cc(ccc1O)C=CC(=O)CCO 1458a_100000182119_100000211926 [0,3,0,0,0,0|0,0,0]=3 5334 B16R1.15083 COc1cc(ccc1O)CCC(=O)CCO 1458a_100011216321_100000211926 [0,3,0,0,0,0|0,0,1]=4 5335 B16R1.15083 COc1cc(ccc1O)CCC(=O)CCO 1458a_100011216618_100010741665 [0,3,0,0,0,0|0,0,1]=4 5336 B16R1.15083 COc1cc(ccc1O)CNC(=O)CCO 240690a_100000185554_100011216618 [0,3,0,0,0,0|0,0,1]=4 5337 B16R1.15083 COc1cc(ccc1O)NCC(=O)NCO 34a_100000726020_100000185155 [0,3,0,0,0,0|0,0,1]=4 5338 B16R1.15083 COc1cc(ccc1O)SCC(=O)NCO 62a_100000185155_100000694246 [0,3,0,0,0,0|0,0,1]=4 5339 B16R1.20127 COc1c(ccc(c1F)C=CC(C)O)C#N 271570a_200011019289_200010764283 [0,3,0,0,0,0|1,0,0]=4 5340 B16R1.20127 COc1ccc(c(c1OC)C)C=CC(C)C 271570a_100016257149_100010000156 [0,3,0,0,0,0|1,0,0]=4 5341 B16R1.20127 COc1ccc(c(c1OC)C)C=CC(C)O 271570a_200011019289_100010000156 [0,3,0,0,0,0|0,0,0]=3 5342 B16R1.4746 CCc1cc(ccc1B(O)O)C=CC(C)O 271570a_200011019289_200010732553 [0,3,0,0,0,0|1,0,0]=4 5343 B16R1.4746 COc1cc(ccc1B(O)O)C=CC(C)C 271570a_100016257149_100010245881 [0,3,0,0,0,0|1,0,0]=4 5344 B16R1.4746 COc1cc(ccc1B(O)O)C=CC(C)O 271570a_200011019289_100010245881 [0,3,0,0,0,0|0,0,0]=3 5345 B16R1.4746 COc1cc(ccc1C(=O)C)C=CC(C)O 271570a_200011019289_100000709911 [0,3,0,0,0,0|0,0,1]=4 5346 B16R1.4746 COc1cc(ccc1C(=O)N)C=CC(C)O 271570a_200011019289_100000748320 [0,3,0,0,0,0|0,0,1]=4 5347 B16R1.4746 COc1cc(ccc1C(F)F)C=CC(C)O 271570a_200011019289_100010146106 [0,3,0,0,0,0|1,0,0]=4 5348 B16R1.4746 COc1nc(ccc1B(O)O)C=CC(C)O 271570a_200011019289_100010143858 [0,3,0,0,0,0|1,0,0]=4 5349 B16R1.9381 CCOc1ccc(cc1CC)C=CC(C)O 271570a_200011019289_200010070707 [0,3,0,0,0,0|1,0,0]=4 5350 B16R1.9381 CCOc1ccc(cc1OC)C=CC(C)C 271570a_100016257149_200012344064 [0,3,0,0,0,0|1,0,0]=4 5351 B16R1.9381 CCOc1ccc(cc1OC)C=CC(C)O 271570a_200011019289_200012344064 [0,3,0,0,0,0|0,0,0]=3 5352 B16R1.9381 CCOc1ncc(cc1OC)C=CC(C)O 271570a_200011019289_200010116856 [0,3,0,0,0,0|1,0,0]=4 5353 B16R1.9381 COc1cc(ccc1CC#N)C=CC(C)O 271570a_200011019289_100010245117 [0,3,0,0,0,0|1,0,0]=4 5354 B16R1.1504 COCCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000233755 [0,3,0,0,0,0|0,0,1]=4 5355 B16R1.1504 COc1ccc(cc1OC)C(=O)CCCO 1458a_100000211223_100011215043 [0,3,0,0,0,0|0,0,1]=4 5356 B16R1.1504 COc1ccc(cc1OC)C(=O)NCCO 240690a_100000210304_100000211223 [0,3,0,0,0,0|0,0,1]=4 5357 B16R1.1504 COc1ccc(cc1OC)C(=O)NCCO 527a_100000210304_100000211223 [0,3,0,0,0,0|0,0,1]=4 5358 B16R1.7130 CCOc1ccc(cc1OC)C(=O)CCO 1458a_100000184834_100000211926 [0,3,0,0,0,0|0,0,1]=4 5359 B16R1.12747 CCOc1cc(ccc1OC)C(=O)CCO 1458a_100000181421_100000211926 [0,3,0,0,0,0|0,0,1]=4 5360 B16R1.64536 COc1cc(cc(c1OC)Cl)C(=O)CCO 1458a_100000180162_100000211926 [0,3,0,0,0,0|0,0,1]=4 5361 B16R1.64536 COc1cc(cc(c1OC)O)C(=O)CCO 1458a_100000032013_100000211926 [0,3,0,0,0,0|0,0,1]=4 5362 B16R1.70643 COc1cc(c(cc1OC)C(=O)CCO)Br 1458a_100011217046_100000211926 [0,3,0,0,0,0|0,0,1]=4 5363 B16R1.70643 COc1cc(c(cc1OC)C(=O)CCO)C 1458a_100000765401_100000211926 [0,3,0,0,0,0|0,0,1]=4 5364 B16R1.70643 COc1cc(c(cc1OC)C(=O)CCO)Cl 1458a_100000692841_100000211926 [0,3,0,0,0,0|0,0,1]=4 5365 B16R1.70643 COc1cc(c(cc1OC)C(=O)CCO)F 1458a_100000687845_100000211926 [0,3,0,0,0,0|0,0,1]=4 5366 B16R1.70643 COc1cc(c(cc1OC)C(=O)CCO)I 1458a_100000749224_100000211926 [0,3,0,0,0,0|0,0,1]=4 5367 B16R1.70643 COc1cc(c(cc1OC)C(=O)CCO)O 1458a_100012177203_100000211926 [0,3,0,0,0,0|0,0,1]=4 5368 B16R1.70664 COc1ccc(c(c1OC)Br)C(=O)CCO 1458a_100010284110_100000211926 [0,3,0,0,0,0|0,0,1]=4 5369 B16R1.70664 COc1ccc(c(c1OC)C)C(=O)CCO 1458a_100000092638_100000211926 [0,3,0,0,0,0|0,0,1]=4 5370 B16R1.70664 COc1ccc(c(c1OC)Cl)C(=O)CCO 1458a_100011216413_100000211926 [0,3,0,0,0,0|0,0,1]=4 5371 B16R1.1502 CCOc1cc(ccc1O)C(=O)CCCO 1458a_100011260950_100011215043 [0,3,0,0,0,0|0,0,1]=4 5372 B16R1.1502 CCOc1cc(ccc1O)C(=O)CCOC 1458a_100011260950_100000233755 [0,3,0,0,0,0|0,0,1]=4 5373 B16R1.1502 CCOc1cc(ccc1O)C(=O)NCCO 240690a_100000210304_100011260950 [0,3,0,0,0,0|0,0,1]=4 5374 B16R1.1734 C=COCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000039644 [0,3,0,0,0,0|0,0,1]=4 5375 B16R1.1734 CC/C=C\CC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100103147603 [0,3,0,0,0,0|1,0,0]=4 5376 B16R1.1734 CCOCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100011215890 [0,3,0,0,0,0|0,0,1]=4 5377 B16R1.1734 COCCCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000740836 [0,3,0,0,0,0|0,0,1]=4 5378 B16R1.1734 COCCNC(=O)c1ccc(c(c1)OC)O 240690a_100000209980_100000687070 [0,3,0,0,0,0|0,0,1]=4 5379 B16R1.1734 COCSCC(=O)c1ccc(c(c1)OC)O 62a_100010206313_100000766300 [0,3,0,0,0,0|0,0,1]=4 5380 B16R1.1734 COc1cc(ccc1O)C(=NNCCO)C 4a_100000210001_100000186468 [0,3,0,0,0,0|0,0,1]=4 5381 B16R1.1734 COc1cc(ccc1O)C(=O)CC#CCO 1458a_100000687070_200000047223 [0,3,0,0,0,0|0,0,1]=4 5382 B16R1.1734 COc1cc(ccc1O)C(=O)CCCCO 1458a_100000687070_100000210776 [0,3,0,0,0,0|0,0,1]=4 5383 B16R1.1734 COc1cc(ccc1O)C(=O)CSCCO 62a_100010206313_100000211926 [0,3,0,0,0,0|0,0,1]=4 5384 B16R1.1734 COc1cc(ccc1O)C(=O)NCCCO 240690a_100000182051_100000687070 [0,3,0,0,0,0|0,0,1]=4 5385 B16R1.1734 COc1cc(ccc1O)C(=O)NNCCO 22a_100000210001_100000687070 [0,3,0,0,0,0|0,0,1]=4 5386 B16R1.4581 COCC(C)C(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000765312 [0,3,0,0,0,0|0,0,1]=4 5387 B16R1.4581 COc1cc(ccc1O)C(=O)C(C)CCO 1458a_100000687070_100009893172 [0,3,0,0,0,0|0,0,1]=4 5388 B16R1.4581 COc1cc(ccc1O)C(=O)N(C)CCO 240690a_100000210263_100000687070 [0,3,0,0,0,0|0,0,1]=4 5389 B16R1.4581 COc1cc(ccc1O)C(O)C(=O)CCO 1458a_100000036414_100000211926 [0,3,0,0,0,0|0,0,1]=4 5390 B16R1.4709 COc1cc(ccc1O)C(=O)CCC(C)O 1458a_100000687070_100012276601 [0,3,0,0,0,0|0,0,1]=4 5391 B16R1.4709 COc1cc(ccc1O)C(=O)NCC(C)O 240690a_100000210904_100000687070 [0,3,0,0,0,0|0,0,1]=4 5392 B16R1.89785 COCCC(=O)c1cc(c(c(c1)OC)O)Cl 1458a_100000209947_100000233755 [0,3,0,0,0,0|0,0,1]=4 5393 B16R1.89785 COCCC(=O)c1cc(c(c(c1)OC)O)O 1458a_100000061230_100000233755 [0,3,0,0,0,0|0,0,1]=4 5394 B16R1.89785 COc1cc(cc(c1O)Cl)C(=O)CCCO 1458a_100000209947_100011215043 [0,3,0,0,0,0|0,0,1]=4 5395 B16R1.89785 COc1cc(cc(c1O)Cl)C(=O)NCCO 240690a_100000210304_100000209947 [0,3,0,0,0,0|0,0,1]=4 5396 B16R1.89785 COc1cc(cc(c1O)O)C(=O)CCCO 1458a_100000061230_100011215043 [0,3,0,0,0,0|0,0,1]=4 5397 B16R1.4012 CCOc1cc(cc(c1O)Cl)C(=O)CCO 1458a_100000010658_100000211926 [0,3,0,0,0,0|0,0,1]=4 5398 B16R1.64528 COc1cc(c(c(c1O)Cl)Cl)C(=O)CCO 1458a_200000065980_100000211926 [0,3,0,0,0,0|0,0,1]=4 5399 B16R1.64535 COc1cc(cc(c1O)OC)C(=O)CCO 1458a_100000692901_100000211926 [0,3,0,0,0,0|0,0,1]=4 5400 B16R1.1432 COCC=Cc1ccc(c(c1)CC(=O)C)O 271570a_100016286323_200010006938 [0,3,0,0,0,0|1,0,0]=4 5401 B16R1.1432 COCC=Cc1ccc(c(c1)OC(=O)C)C 271570a_100016286323_100103282185 [0,3,0,0,0,0|1,0,0]=4 5402 B16R1.1432 COCC=Cc1ccc(c(c1)OC(C)C)C 271570a_100016286323_200012359587 [0,3,0,0,0,0|1,0,0]=4 5403 B16R1.1432 COCC=Cc1ccc(c(c1)OC(C)C)F 271570a_100016286323_200012350295 [0,3,0,0,0,0|1,0,0]=4 5404 B16R1.1432 COCC=Cc1ccc(c(c1)OC(F)F)F 271570a_100016286323_100012359426 [0,3,0,0,0,0|1,0,0]=4 5405 B16R1.1432 COCC=Cc1ccc(c(c1)OC(F)F)N 271570a_100016286323_100010212277 [0,3,0,0,0,0|1,0,0]=4 5406 B16R1.17978 COc1ccc(cc1OC(C)C)/C=C/CO 34a_100102524974_100000210206 [0,3,0,0,0,0|0,0,0]=3 5407 B16R1.275 CCOc1cc(ccc1O)C=NNCCO 4a_100000210001_100000188318 [0,3,0,0,0,0|0,0,1]=4 5408 B16R1.4986 CCOc1cc(cc(c1F)F)C=CCOC 271570a_100016286323_200012359421 [0,3,0,0,0,0|1,0,0]=4 5409 B16R1.12767 CCOc1cc(ccc1O)CC(=O)CCO 1458a_200000048972_100000211926 [0,3,0,0,0,0|0,0,1]=4 5410 B16R1.20617 CCNCc1cc(ccc1O)C=CCOC 271570a_100016286323_100000765307 [0,3,0,0,0,0|1,0,0]=4 5411 B16R1.20617 COCC=Cc1ccc(c(c1)/C=N/OC)F 271570a_100016286323_200009812721 [0,3,0,0,0,0|1,0,0]=4 5412 B16R1.20618 CCCC=Cc1ccc(c(c1)COC)OC 271570a_100016258520_200011493686 [0,3,0,0,0,0|1,0,0]=4 5413 B16R1.20618 CCCC=Cc1ccc(c(c1)OCC)OC 271570a_100016258520_200010219349 [0,3,0,0,0,0|1,0,0]=4 5414 B16R1.20618 CCOC=Cc1ccc(c(c1)COC)OC 271570a_100016256518_200011493686 [0,3,0,0,0,0|1,0,0]=4 5415 B16R1.20618 CCOC=Cc1ccc(c(c1)OCC)OC 271570a_100016256518_200010219349 [0,3,0,0,0,0|1,0,0]=4 5416 B16R1.20618 CCOc1cc(ccc1C#N)C=CCOC 271570a_100016286323_100013120067 [0,3,0,0,0,0|1,0,0]=4 5417 B16R1.20618 CCOc1cc(ccc1OC)C=CCOC 271570a_100016286323_200010219349 [0,3,0,0,0,0|0,0,0]=3 5418 B16R1.20618 CNCc1cc(ccc1OC)C=CCOC 271570a_100016286323_100000690607 [0,3,0,0,0,0|1,0,0]=4 5419 B16R1.20618 COCC=Cc1ccc(c(c1)CCN)OC 271570a_100016286323_100000763266 [0,3,0,0,0,0|1,0,0]=4 5420 B16R1.20618 COCC=Cc1ccc(c(c1)COC)OC 271570a_100016286323_200011493686 [0,3,0,0,0,0|0,0,0]=3 5421 B16R1.20626 CCC(=O)c1cc(ccc1O)C=CCOC 271570a_100016286323_100000183607 [0,3,0,0,0,0|1,0,0]=4 5422 B16R1.20626 CCCC=Cc1ccc(c(c1)C(=O)OC)O 271570a_100016258520_100000149868 [0,3,0,0,0,0|1,0,0]=4 5423 B16R1.20626 CCOC=Cc1ccc(c(c1)C(=O)OC)O 271570a_100016256518_100000149868 [0,3,0,0,0,0|1,0,0]=4 5424 B16R1.20626 COCC=Cc1cc(c(cn1)O)C(=O)OC 271570a_100016286323_100010136202 [0,3,0,0,0,0|1,0,0]=4 5425 B16R1.20626 COCC=Cc1ccc(c(c1)C(=O)OC)Br 271570a_100016286323_100012340073 [0,3,0,0,0,0|1,0,0]=4 5426 B16R1.20626 COCC=Cc1ccc(c(c1)C(=O)OC)C 271570a_100016286323_100012360116 [0,3,0,0,0,0|1,0,0]=4 5427 B16R1.20626 COCC=Cc1ccc(c(c1)C(=O)OC)Cl 271570a_100016286323_100012353682 [0,3,0,0,0,0|1,0,0]=4 5428 B16R1.20626 COCC=Cc1ccc(c(c1)C(=O)OC)F 271570a_100016286323_100000154357 [0,3,0,0,0,0|1,0,0]=4 5429 B16R1.20626 COCC=Cc1ccc(c(c1)C(=O)OC)N 271570a_100016286323_100000212070 [0,3,0,0,0,0|1,0,0]=4 5430 B16R1.20626 COCC=Cc1ccc(c(c1)C(=O)OC)O 271570a_100016286323_100000149868 [0,3,0,0,0,0|0,0,0]=3 5431 B16R1.20626 COCC=Cc1ccc(c(n1)C(=O)OC)O 271570a_100016286323_100000697862 [0,3,0,0,0,0|1,0,0]=4 5432 B16R1.25360 COC(=O)c1cc(ccc1O)NC(=O)CO 188690a_100011246163_100000210174 [0,3,0,0,0,0|1,0,0]=4 5433 B16R1.17962 C#CCOc1cc(ccc1OC)/C=C/CO 34a_100102524974_100000184674 [0,3,0,0,0,0|0,0,0]=3 5434 B16R1.17962 C=CCOc1cc(ccc1OC)/C=C/CO 34a_100102524974_100015514636 [0,3,0,0,0,0|0,0,0]=3 5435 B16R1.17962 CCCOc1cc(ccc1OC)/C=C/CO 34a_100102524974_100000210303 [0,3,0,0,0,0|0,0,0]=3 5436 B16R1.17962 COc1ccc(cc1OCC=O)/C=C/CO 34a_100102524974_200009817547 [0,3,0,0,0,0|0,0,0]=3 5437 B16R1.17962 COc1ccc(cc1OCCF)/C=C/CO 34a_100102524974_100011217306 [0,3,0,0,0,0|0,0,0]=3 5438 B16R1.17962 COc1ccc(cc1OCCO)/C=C/CO 34a_100102524974_100000211926 [0,3,0,0,0,0|0,0,0]=3 5439 B16R1.17962 COc1ccc(cc1OCSC)/C=C/CO 34a_100102524974_100011218213 [0,3,0,0,0,0|0,0,0]=3 5440 B16R1.1436 CCCC=Cc1ccc(c(c1)OC)B(O)O 271570a_100016258520_100010245881 [0,3,0,0,0,0|1,0,0]=4 5441 B16R1.1436 CCOC=Cc1ccc(c(c1)OC)B(O)O 271570a_100016256518_100010245881 [0,3,0,0,0,0|1,0,0]=4 5442 B16R1.1436 CCc1cc(ccc1B(O)O)C=CCOC 271570a_100016286323_200010732553 [0,3,0,0,0,0|1,0,0]=4 5443 B16R1.1436 COCC=Cc1ccc(c(c1)OC)B(O)O 271570a_100016286323_100010245881 [0,3,0,0,0,0|0,0,0]=3 5444 B16R1.1436 COCC=Cc1ccc(c(c1)OC)C(=O)C 271570a_100016286323_100000709911 [0,3,0,0,0,0|0,0,1]=4 5445 B16R1.1436 COCC=Cc1ccc(c(c1)OC)C(=O)N 271570a_100016286323_100000748320 [0,3,0,0,0,0|0,0,1]=4 5446 B16R1.1436 COCC=Cc1ccc(c(c1)OC)C(F)F 271570a_100016286323_100010146106 [0,3,0,0,0,0|1,0,0]=4 5447 B16R1.1436 COCC=Cc1ccc(c(n1)OC)B(O)O 271570a_100016286323_100010143858 [0,3,0,0,0,0|1,0,0]=4 5448 B16R1.277 CC/C=C\CNc1ccc(c(c1)OC)CO 34a_100012183141_100103147603 [0,3,0,0,0,0|1,0,0]=4 5449 B16R1.277 CC/C=C\CNc1ccc(c(c1)OC)OC 34a_100000187404_100103147603 [0,3,0,0,0,0|1,0,0]=4 5450 B16R1.277 CC/C=C\COc1ccc(c(c1)OC)CO 34a_200000116926_100103147603 [0,3,0,0,0,0|1,0,0]=4 5451 B16R1.277 CC/C=C\COc1ccc(c(c1)OC)OC 34a_100000039706_100103147603 [0,3,0,0,0,0|1,0,0]=4 5452 B16R1.277 CC/C=C\CSc1ccc(c(c1)OC)CO 62a_100011277633_100103147603 [0,3,0,0,0,0|1,0,0]=4 5453 B16R1.277 CC/C=C\CSc1ccc(c(c1)OC)CO 62a_100103147603_100011277633 [0,3,0,0,0,0|1,0,0]=4 5454 B16R1.277 CC/C=C\CSc1ccc(c(c1)OC)OC 62a_100103147603_100011356967 [0,3,0,0,0,0|1,0,0]=4 5455 B16R1.277 CCCCC=Cc1ccc(c(c1)OC)CO 271570a_100016275911_100011277633 [0,3,0,0,0,0|1,0,0]=4 5456 B16R1.277 CCCCC=Cc1ccc(c(c1)OC)OC 271570a_100016275911_100000187503 [0,3,0,0,0,0|1,0,0]=4 5457 B16R1.277 COc1ccc(cc1OC)C=NNCCO 4a_100000210001_100000170513 [0,3,0,0,0,0|0,0,1]=4 5458 B16R1.1559 COCC(=O)Nc1ccc(c(c1)OC)CO 22a_100012183141_100000210968 [0,3,0,0,0,0|1,0,0]=4 5459 B16R1.1559 COCC(=O)Nc1ccc(c(c1)OC)OC 11a_100000187404_100000210968 [0,3,0,0,0,0|1,0,0]=4 5460 B16R1.1559 COCC(=O)Nc1ccc(c(c1)OC)OC 1626a_100000187404_100000210968 [0,3,0,0,0,0|1,0,0]=4 5461 B16R1.1559 COCC(=O)Nc1ccc(c(c1)OC)OC 22a_100000187404_100000210968 [0,3,0,0,0,0|1,0,0]=4 5462 B16R1.1559 COCC(=O)Nc1ccc(c(c1)OC)OC 34a_100138415774_100000183518 [0,3,0,0,0,0|1,0,0]=4 5463 B16R1.1559 COCC(=O)Nc1ccc(c(c1)OC)OC 527a_100000187404_100000210968 [0,3,0,0,0,0|1,0,0]=4 5464 B16R1.1559 COc1cc(ccc1CO)NC(=O)CCO 22a_100012183141_100011216618 [0,3,0,0,0,0|0,0,1]=4 5465 B16R1.1559 COc1ccc(cc1OC)CC(=O)CCO 1458a_100000184093_100000211926 [0,3,0,0,0,0|0,0,1]=4 5466 B16R1.1559 COc1ccc(cc1OC)NC(=O)CCO 22a_100000187404_100011216618 [0,3,0,0,0,0|0,0,1]=4 5467 B16R1.4275 COc1cc(ccc1CO)C=CCC(C)C 271570a_100016259101_100011277633 [0,3,0,0,0,0|1,0,0]=4 5468 B16R1.4275 COc1ccc(cc1OC)C=CCC(C)C 271570a_100016259101_100000187503 [0,3,0,0,0,0|1,0,0]=4 5469 B16R1.4988 COCC=Cc1cc(c(c(c1)OC)C#N)F 271570a_100016286323_100000697026 [0,3,0,0,0,0|1,0,0]=4 5470 B16R1.4988 COCC=Cc1cc(c(c(c1)OC)C=O)F 271570a_100016286323_100010363811 [0,3,0,0,0,0|0,0,1]=4 5471 B16R1.20619 CCCC=Cc1ccc(c(c1)OC)OCC 271570a_100016258520_200012344064 [0,3,0,0,0,0|1,0,0]=4 5472 B16R1.20619 CCOC=Cc1ccc(c(c1)OC)OCC 271570a_100016256518_200012344064 [0,3,0,0,0,0|1,0,0]=4 5473 B16R1.20619 CCOc1ccc(cc1CC)C=CCOC 271570a_100016286323_200010070707 [0,3,0,0,0,0|1,0,0]=4 5474 B16R1.20619 CCOc1ccc(cc1OC)C=CCOC 271570a_100016286323_200012344064 [0,3,0,0,0,0|0,0,0]=3 5475 B16R1.20619 CCOc1ncc(cc1OC)C=CCOC 271570a_100016286323_200010116856 [0,3,0,0,0,0|1,0,0]=4 5476 B16R1.20619 COCC=Cc1ccc(c(c1)OC)CC#N 271570a_100016286323_100010245117 [0,3,0,0,0,0|1,0,0]=4 5477 B16R1.20625 COCC=Cc1ccc(c(c1)C(=O)C)OC 271570a_100016286323_100000173343 [0,3,0,0,0,0|1,0,0]=4 5478 B16R1.29978 CCCC=Cc1cc(c(cc1F)OC)OC 271570a_100016258520_200011765842 [0,3,0,0,0,0|1,0,0]=4 5479 B16R1.29978 CCOC=Cc1cc(c(cc1F)OC)OC 271570a_100016256518_200011765842 [0,3,0,0,0,0|1,0,0]=4 5480 B16R1.29978 COCC=Cc1cc(c(cc1F)OC)OC 271570a_100016286323_200011765842 [0,3,0,0,0,0|0,0,0]=3 5481 B16R1.29978 COCC=Cc1nc(c(cc1C)OC)OC 271570a_100016286323_200011016175 [0,3,0,0,0,0|1,0,0]=4 5482 B16R1.29987 CCCC=Cc1ccc(c(c1C)OC)OC 271570a_100016258520_100010000156 [0,3,0,0,0,0|1,0,0]=4 5483 B16R1.29987 CCOC=Cc1ccc(c(c1C)OC)OC 271570a_100016256518_100010000156 [0,3,0,0,0,0|1,0,0]=4 5484 B16R1.29987 COCC=Cc1ccc(c(c1C)OC)OC 271570a_100016286323_100010000156 [0,3,0,0,0,0|0,0,0]=3 5485 B16R1.29987 COCC=Cc1ccc(c(c1F)OC)C#N 271570a_100016286323_200010764283 [0,3,0,0,0,0|1,0,0]=4 5486 B16R1.7129 CCOc1ccc(cc1OC)NC(=O)CO 22a_100000184985_100000210174 [0,3,0,0,0,0|1,0,0]=4 5487 B16R1.7129 CCOc1ccc(cc1OC)NC(=O)CO 527a_100000184985_100000210174 [0,3,0,0,0,0|1,0,0]=4 5488 B16R1.20042 COc1cc(c(cc1OC)CC(=O)CO)Br 1458a_100000210174_100011375086 [0,3,0,0,0,0|0,0,1]=4 5489 B16R1.20042 COc1cc(c(cc1OC)NC(=O)CO)C 22a_100000183460_100000210174 [0,3,0,0,0,0|1,0,0]=4 5490 B16R1.20042 COc1cc(c(cc1OC)NC(=O)CO)C 527a_100000183460_100000210174 [0,3,0,0,0,0|1,0,0]=4 5491 B16R1.20042 COc1cc(c(cc1OC)NC(=O)CO)F 22a_100000753170_100000210174 [0,3,0,0,0,0|1,0,0]=4 5492 B16R1.20042 COc1cc(c(cc1OC)NC(=O)CO)F 527a_100000753170_100000210174 [0,3,0,0,0,0|1,0,0]=4 5493 B16R1.88007 COc1ccc(c(c1OC)Cl)CC(=O)CO 1458a_100000210174_100011890039 [0,3,0,0,0,0|0,0,1]=4 5494 B16R1.1260 COc1cc(ccc1OC(C)C)/C=C\CO 34a_100016294963_100000210206 [0,3,0,0,0,0|0,0,0]=3 5495 B16R1.17952 C#CCOc1ccc(cc1OC)/C=C\CO 34a_100016294963_100000184674 [0,3,0,0,0,0|0,0,0]=3 5496 B16R1.17952 C=CCOc1ccc(cc1OC)/C=C\CO 34a_100016294963_100015514636 [0,3,0,0,0,0|0,0,0]=3 5497 B16R1.17952 CCCOc1ccc(cc1OC)/C=C\CO 34a_100016294963_100000210303 [0,3,0,0,0,0|0,0,0]=3 5498 B16R1.17952 COc1cc(ccc1OCC=O)/C=C\CO 34a_100016294963_200009817547 [0,3,0,0,0,0|0,0,0]=3 5499 B16R1.17952 COc1cc(ccc1OCCF)/C=C\CO 34a_100016294963_100011217306 [0,3,0,0,0,0|0,0,0]=3 5500 B16R1.17952 COc1cc(ccc1OCCO)/C=C\CO 34a_100016294963_100000211926 [0,3,0,0,0,0|0,0,0]=3 5501 B16R1.17952 COc1cc(ccc1OCSC)/C=C\CO 34a_100016294963_100011218213 [0,3,0,0,0,0|0,0,0]=3 5502 B16R1.1434 COCC=Cc1ccc(c(c1)C(C)(C)C)O 271570a_100016286323_100000704011 [0,3,0,0,0,0|1,0,0]=4 5503 B16R1.1434 COCC=Cc1ccc(c(c1)S(=O)(=O)C)O 271570a_100016286323_200015712519 [0,3,0,0,0,0|0,1,0]=4 5504 B16R1.5464 COCC=Cc1cc(c(cc1C)O)C(=O)C 271570a_100016286323_200010233951 [0,3,0,0,0,0|1,0,0]=4 5505 B16R1.5464 COCC=Cc1cc(c(cc1F)O)C(=O)C 271570a_100016286323_100000691652 [0,3,0,0,0,0|1,0,0]=4 5506 B16R1.4496 CCC=CC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000212282 [0,3,0,0,0,0|1,0,0]=4 5507 B16R1.4496 CCCCC(=Cc1ccc(c(c1)OC)O)Br 271570a_206741709834_100000694246 [0,3,0,0,0,0|1,0,0]=4 5508 B16R1.4496 CCOCC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000211967 [0,3,0,0,0,0|1,0,0]=4 5509 B16R1.4496 CCOCC(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100000211967 [0,3,0,0,0,0|1,0,0]=4 5510 B16R1.4496 COC=CC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100016268678 [0,3,0,0,0,0|0,0,1]=4 5511 B16R1.4496 COCCC(=O)Cc1ccc(c(c1)OC)O 1458a_100000032101_100000233755 [0,3,0,0,0,0|0,0,1]=4 5512 B16R1.4496 COCCC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000749529 [0,3,0,0,0,0|0,0,1]=4 5513 B16R1.4496 COCCC(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100000749529 [0,3,0,0,0,0|0,0,1]=4 5514 B16R1.4496 COc1cc(ccc1O)CC(=O)CCCO 1458a_100000032101_100011215043 [0,3,0,0,0,0|0,0,1]=4 5515 B16R1.4496 COc1cc(ccc1O)CC(=O)NCCO 240690a_100000210304_100000032101 [0,3,0,0,0,0|0,0,1]=4 5516 B16R1.4496 COc1cc(ccc1O)CC(=O)NCCO 527a_100000210304_100000032101 [0,3,0,0,0,0|0,0,1]=4 5517 B16R1.4496 COc1cc(ccc1O)NC(=O)NCCO 2430a_100000726020_100000210304 [0,3,0,0,0,0|0,0,1]=4 5518 B16R1.4707 CCc1cc(ccc1O)C=CCOC(=O)C 271570a_200000047263_100012338938 [0,3,0,0,0,0|1,0,0]=4 5519 B16R1.4707 COc1cc(ccc1Br)C=CCOC(=O)C 271570a_200000047263_100012353699 [0,3,0,0,0,0|1,0,0]=4 5520 B16R1.4707 COc1cc(ccc1C)C=CCOC(=O)C 271570a_200000047263_100011830276 [0,3,0,0,0,0|1,0,0]=4 5521 B16R1.4707 COc1cc(ccc1Cl)C=CCOC(=O)C 271570a_200000047263_100011356853 [0,3,0,0,0,0|1,0,0]=4 5522 B16R1.4707 COc1cc(ccc1F)C=CCOC(=O)C 271570a_200000047263_100011934186 [0,3,0,0,0,0|1,0,0]=4 5523 B16R1.4707 COc1cc(ccc1N)C=CCOC(=O)C 271570a_200000047263_100011279103 [0,3,0,0,0,0|1,0,0]=4 5524 B16R1.4707 COc1cc(ccc1O)C=CCOC(=O)C 271570a_200000047263_100000694246 [0,3,0,0,0,0|0,0,0]=3 5525 B16R1.4707 COc1cc(ccc1O)C=NNCC(C)O 4a_200000730056_100000188322 [0,3,0,0,0,0|0,0,1]=4 5526 B16R1.4707 COc1cc(ccc1O)NC/C=C/B(O)O 34a_100000726020_100016262062 [0,3,0,0,0,0|1,0,0]=4 5527 B16R1.4707 COc1cc(ccc1O)SC/C=C/B(O)O 62a_100016262062_100000694246 [0,3,0,0,0,0|1,0,0]=4 5528 B16R1.4707 COc1nc(ccc1O)C=CCOC(=O)C 271570a_200000047263_100010893133 [0,3,0,0,0,0|1,0,0]=4 5529 B16R1.4708 CCC(=O)NN=Cc1ccc(c(c1)OC)O 4a_100000183195_100000188322 [0,3,0,0,0,0|1,0,0]=4 5530 B16R1.4708 COc1cc(ccc1O)CCNC(=O)CO 240690a_100000756042_100000210174 [0,3,0,0,0,0|0,0,1]=4 5531 B16R1.4708 COc1cc(ccc1O)CCNC(=O)CO 527a_100000756042_100000210174 [0,3,0,0,0,0|0,0,1]=4 5532 B16R1.8515 COc1c(ccc(c1O)C=NNCCO)O 4a_100000210001_100009834984 [0,3,0,0,0,0|0,0,1]=4 5533 B16R1.12858 CC/C=C\CSc1cc(c(c(c1)OC)O)O 62a_100103147603_200159242197 [0,3,0,0,0,0|1,0,0]=4 5534 B16R1.12858 COc1cc(cc(c1O)Br)C=NNCCO 4a_100000210001_100000186746 [0,3,0,0,0,0|0,0,1]=4 5535 B16R1.12858 COc1cc(cc(c1O)C)C=NNCCO 4a_100000210001_100000050991 [0,3,0,0,0,0|0,0,1]=4 5536 B16R1.12858 COc1cc(cc(c1O)Cl)C=NNCCO 4a_100000210001_100000010622 [0,3,0,0,0,0|0,0,1]=4 5537 B16R1.12858 COc1cc(cc(c1O)F)C=NNCCO 4a_100000210001_100000039941 [0,3,0,0,0,0|0,0,1]=4 5538 B16R1.12858 COc1cc(cc(c1O)I)C=NNCCO 4a_100000210001_100000184534 [0,3,0,0,0,0|0,0,1]=4 5539 B16R1.12858 COc1cc(cc(c1O)O)C=NNCCO 4a_100000210001_100000010769 [0,3,0,0,0,0|0,0,1]=4 5540 B16R1.13278 CC/C=C\CSc1cc(c(cc1F)O)OC 62a_100103147603_100010189133 [0,3,0,0,0,0|1,0,0]=4 5541 B16R1.13278 CCCCC=Cc1cc(c(cc1F)O)OC 271570a_100016275911_100010189133 [0,3,0,0,0,0|1,0,0]=4 5542 B16R1.13278 COc1cc(c(cc1O)Br)C=NNCCO 4a_100000210001_100000741691 [0,3,0,0,0,0|0,0,1]=4 5543 B16R1.17800 CC/C=C\CCNc1ccc(c(c1)OC)O 34a_100000726020_100015370543 [0,3,0,0,0,0|1,0,0]=4 5544 B16R1.17800 CC/C=C\CCSc1ccc(c(c1)OC)O 62a_100015370543_100000694246 [0,3,0,0,0,0|1,0,0]=4 5545 B16R1.17800 CC/C=C\CNCc1ccc(c(c1)OC)O 34a_100000185554_100103147603 [0,3,0,0,0,0|1,0,0]=4 5546 B16R1.17800 CCCCCC=Cc1ccc(c(c1)OC)O 271570a_100000062253_100000694246 [0,3,0,0,0,0|1,0,0]=4 5547 B16R1.17800 CCNN=CC=Cc1ccc(c(c1)OC)O 4a_100000756455_200137361272 [0,3,0,0,0,0|1,0,0]=4 5548 B16R1.2223 COc1cc(c(cc1O)Br)CC(=O)CCO 1458a_100009814189_100000211926 [0,3,0,0,0,0|0,0,1]=4 5549 B16R1.4761 COc1cc(ccc1O)CC(=O)CC(C)O 1458a_100000032101_100011218427 [0,3,0,0,0,0|0,0,1]=4 5550 B16R1.4761 COc1cc(ccc1O)NC(=O)C[C@@H](C)O 22a_100000726020_100011933948 [0,3,0,0,0,0|0,0,1]=4 5551 B16R1.5365 COCC(=Cc1ccc(c(c1)OC)C)C#N 6a_100000719150_100000739979 [0,3,0,0,0,0|1,0,0]=4 5552 B16R1.5365 COCC(=Cc1ccc(c(c1)OC)Cl)C#N 6a_100011998524_100000739979 [0,3,0,0,0,0|1,0,0]=4 5553 B16R1.5365 COCC(=Cc1ccc(c(c1)OC)F)C#N 6a_100000692873_100000739979 [0,3,0,0,0,0|1,0,0]=4 5554 B16R1.15044 COc1cc(cc(c1O)Br)CC(=O)CCO 1458a_100009814412_100000211926 [0,3,0,0,0,0|0,0,1]=4 5555 B16R1.20029 COc1cc(c(cc1O)F)C=CCC(C)C 271570a_100016259101_100010189133 [0,3,0,0,0,0|1,0,0]=4 5556 B16R1.4987 CCCC=Cc1cc(c(c(c1)OC)O)CO 271570a_100016258520_100000185604 [0,3,0,0,0,0|1,0,0]=4 5557 B16R1.4987 CCCC=Cc1cc(c(c(c1)OC)O)OC 271570a_100016258520_100000691893 [0,3,0,0,0,0|1,0,0]=4 5558 B16R1.4987 CCOC=Cc1cc(c(c(c1)OC)O)CO 271570a_100016256518_100000185604 [0,3,0,0,0,0|1,0,0]=4 5559 B16R1.4987 CCOC=Cc1cc(c(c(c1)OC)O)OC 271570a_100016256518_100000691893 [0,3,0,0,0,0|1,0,0]=4 5560 B16R1.4987 COCC=Cc1cc(c(c(c1)OC)F)OC 271570a_100016286323_100015304952 [0,3,0,0,0,0|1,0,0]=4 5561 B16R1.4987 COCC=Cc1cc(c(c(c1)OC)N)C#N 271570a_100016286323_200010734157 [0,3,0,0,0,0|1,0,0]=4 5562 B16R1.4987 COCC=Cc1cc(c(c(c1)OC)N)CO 271570a_100016286323_100010235085 [0,3,0,0,0,0|1,0,0]=4 5563 B16R1.4987 COCC=Cc1cc(c(c(c1)OC)O)CO 271570a_100016286323_100000185604 [0,3,0,0,0,0|0,0,0]=3 5564 B16R1.4987 COCC=Cc1cc(c(c(c1)OC)O)OC 271570a_100016286323_100000691893 [0,3,0,0,0,0|0,0,0]=3 5565 B16R1.29870 CCCC=Cc1cc(c(cc1C=O)O)OC 271570a_100016258520_100000183646 [0,3,0,0,0,0|1,0,0]=4 5566 B16R1.29870 CCCC=Cc1cc(c(cc1OC)O)OC 271570a_100016258520_100009816818 [0,3,0,0,0,0|1,0,0]=4 5567 B16R1.29870 CCOC=Cc1cc(c(cc1C=O)O)OC 271570a_100016256518_100000183646 [0,3,0,0,0,0|1,0,0]=4 5568 B16R1.29870 CCOC=Cc1cc(c(cc1OC)O)OC 271570a_100016256518_100009816818 [0,3,0,0,0,0|1,0,0]=4 5569 B16R1.29870 COCC=Cc1cc(c(cc1C=O)O)OC 271570a_100016286323_100000183646 [0,3,0,0,0,0|0,0,0]=3 5570 B16R1.29870 COCC=Cc1cc(c(cc1OC)Br)OC 271570a_100016286323_100013799044 [0,3,0,0,0,0|1,0,0]=4 5571 B16R1.29870 COCC=Cc1cc(c(cc1OC)C)OC 271570a_100016286323_100000039368 [0,3,0,0,0,0|1,0,0]=4 5572 B16R1.29870 COCC=Cc1cc(c(cc1OC)Cl)OC 271570a_100016286323_100000023288 [0,3,0,0,0,0|1,0,0]=4 5573 B16R1.29870 COCC=Cc1cc(c(cc1OC)O)OC 271570a_100016286323_100009816818 [0,3,0,0,0,0|0,0,0]=3 5574 B16R1.408 CCC(=Cc1cc(c(c(c1)OC)O)Br)C#N 6a_100000186746_100011193412 [0,3,0,0,0,0|1,0,0]=4 5575 B16R1.408 CCC(=Cc1cc(c(c(c1)OC)O)C)C#N 6a_100000050991_100011193412 [0,3,0,0,0,0|1,0,0]=4 5576 B16R1.408 CCC(=Cc1cc(c(c(c1)OC)O)Cl)C#N 6a_100000010622_100011193412 [0,3,0,0,0,0|1,0,0]=4 5577 B16R1.408 CCC(=Cc1cc(c(c(c1)OC)O)F)C#N 6a_100000039941_100011193412 [0,3,0,0,0,0|1,0,0]=4 5578 B16R1.408 CCC(=Cc1cc(c(c(c1)OC)O)I)C#N 6a_100000184534_100011193412 [0,3,0,0,0,0|1,0,0]=4 5579 B16R1.408 COc1cc(cc(c1O)Br)C=C(C#N)CBr 6a_100000186746_100011215226 [0,3,0,0,0,0|1,0,0]=4 5580 B16R1.408 COc1cc(cc(c1O)Br)C=C(C#N)CCl 6a_100000186746_100000184422 [0,3,0,0,0,0|1,0,0]=4 5581 B16R1.408 COc1cc(cc(c1O)C)C=C(C#N)CBr 6a_100000050991_100011215226 [0,3,0,0,0,0|1,0,0]=4 5582 B16R1.408 COc1cc(cc(c1O)C)C=C(C#N)CCl 6a_100000050991_100000184422 [0,3,0,0,0,0|1,0,0]=4 5583 B16R1.408 COc1cc(cc(c1O)Cl)C=C(C#N)CBr 6a_100000010622_100011215226 [0,3,0,0,0,0|1,0,0]=4 5584 B16R1.408 COc1cc(cc(c1O)Cl)C=C(C#N)CCl 6a_100000010622_100000184422 [0,3,0,0,0,0|1,0,0]=4 5585 B16R1.408 COc1cc(cc(c1O)F)C=C(C#N)CBr 6a_100000039941_100011215226 [0,3,0,0,0,0|1,0,0]=4 5586 B16R1.408 COc1cc(cc(c1O)F)C=C(C#N)CCl 6a_100000039941_100000184422 [0,3,0,0,0,0|1,0,0]=4 5587 B16R1.408 COc1cc(cc(c1O)I)C=C(C#N)CBr 6a_100000184534_100011215226 [0,3,0,0,0,0|1,0,0]=4 5588 B16R1.408 COc1cc(cc(c1O)I)C=C(C#N)CCl 6a_100000184534_100000184422 [0,3,0,0,0,0|1,0,0]=4 5589 B12R1.179 CC=Cc1ccc(o1)C(=O)OC 271570a_100016259895_100000148852 [1,0,1,1,0,0|1,0,0]=4 5590 B12R1.235 COc1cc(cc(c1O)CO)O 271570a_203496583355_100000185604 [1,0,1,1,0,0|1,0,0]=4 5591 B12R1.1879 C=Cc1c(cccc1OC)CO 271570a_100011290941_100010236476 [1,0,1,1,0,0|0,0,0]=3 5592 B12R1.58 C=Cc1cc(cc(c1)OC)CO 271570a_100011290941_100009995317 [1,0,1,1,0,0|0,0,0]=3 5593 B12R1.58 C=Cc1cc(cc(n1)OC)CO 271570a_100011290941_200000090696 [1,0,1,1,0,0|1,0,0]=4 5594 B12R1.301 COc1c(cc(cc1F)CO)O 271570a_203496583355_100020751559 [0,0,1,1,1,0|1,0,0]=4 5595 B12R2.44 CNc1ccc2occc2c1 34a_106430523501_200000210301 [2,0,0,1,0,0|1,0,0]=4 5596 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [2,0,0,1,0,0|1,0,0]=4 5597 B12R2.44 COc1ccc2c(c1)OCO2 34a_100000210298_200000210301 [2,0,0,1,0,0|1,0,0]=4 5598 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [2,0,0,1,0,0|0,0,0]=3 5599 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [2,0,0,1,0,0|0,0,0]=3 5600 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [2,0,0,1,0,0|0,1,0]=4 5601 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [2,0,0,1,0,0|0,1,0]=4 5602 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_100009814306_200000210301 [2,0,0,1,0,0|0,1,0]=4 5603 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_200000210301_100009814306 [2,0,0,1,0,0|0,1,0]=4 5604 B12R2.44 CSc1ccc2occc2c1 62a_200000210301_100000691453 [2,0,0,1,0,0|0,1,0]=4 5605 B12R2.44 [13CH3]Nc1ccc2occc2c1 34a_106430523501_200025704644 [2,0,0,1,0,0|1,0,0]=4 5606 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [2,0,0,1,0,0|1,0,0]=4 5607 B12R2.44 [13CH3]Oc1ccc2c(c1)OCO2 34a_100000210298_200025704644 [2,0,0,1,0,0|1,0,0]=4 5608 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [2,0,0,1,0,0|0,0,0]=3 5609 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [2,0,0,1,0,0|0,0,0]=3 5610 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [2,0,0,1,0,0|0,1,0]=4 5611 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [2,0,0,1,0,0|0,1,0]=4 5612 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_100009814306_200025704644 [2,0,0,1,0,0|0,1,0]=4 5613 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_200025704644_100009814306 [2,0,0,1,0,0|0,1,0]=4 5614 B12R2.44 [13CH3]Sc1ccc2occc2c1 62a_200025704644_100000691453 [2,0,0,1,0,0|0,1,0]=4 5615 B12R2.143 CC=Cc1ccc2c(c1)CC2 271570a_100016259895_100009818592 [2,0,0,1,0,0|1,0,0]=4 5616 B12R2.315 COc1cccc2c1OCO2 34a_100000046630_200000210301 [2,0,0,1,0,0|1,0,0]=4 5617 B12R2.315 COc1cccc2c1OCO2 7a_100000046630_200000210301 [2,0,0,1,0,0|1,0,0]=4 5618 B12R2.315 CSc1cccc2c1CC=C2 62a_100009844718_200000210301 [2,0,0,1,0,0|0,1,0]=4 5619 B12R2.315 CSc1cccc2c1CC=C2 62a_200000210301_100009844718 [2,0,0,1,0,0|0,1,0]=4 5620 B12R2.315 CSc1cccc2c1occ2 62a_200000210301_100011935138 [2,0,0,1,0,0|0,1,0]=4 5621 B12R2.315 [13CH3]Oc1cccc2c1OCO2 34a_100000046630_200025704644 [2,0,0,1,0,0|1,0,0]=4 5622 B12R2.315 [13CH3]Oc1cccc2c1OCO2 7a_100000046630_200025704644 [2,0,0,1,0,0|1,0,0]=4 5623 B12R2.315 [13CH3]Sc1cccc2c1CC=C2 62a_100009844718_200025704644 [2,0,0,1,0,0|0,1,0]=4 5624 B12R2.315 [13CH3]Sc1cccc2c1CC=C2 62a_200025704644_100009844718 [2,0,0,1,0,0|0,1,0]=4 5625 B12R2.315 [13CH3]Sc1cccc2c1occ2 62a_200025704644_100011935138 [2,0,0,1,0,0|0,1,0]=4 5626 B12R2.82 Cc1c(ccc2c1OCO2)O 271570a_203496583355_100010335860 [2,0,0,1,0,0|1,0,0]=4 5627 B12R2.82 Cc1c(ccc2c1[nH]cc2)O 271570a_203496583355_100009816929 [2,0,0,1,0,0|1,0,0]=4 5628 B12R2.100 Cc1cc2cc[nH]c2cc1O 271570a_203496583355_100010199660 [2,0,0,1,0,0|1,0,0]=4 5629 B12R2.100 Cc1cc2ccsc2cc1O 271570a_203496583355_100010762285 [2,0,0,1,0,0|0,1,0]=4 5630 B12R2.100 Oc1cc2c(cc1O)OCO2 271570a_203496583355_100010290809 [2,0,0,1,0,0|1,0,0]=4 5631 B14R1.888 COCC=Cc1ccc(o1)C(=O)OC 271570a_100016286323_100000148852 [0,1,1,1,0,0|1,0,0]=4 5632 B14R1.713 COC(=O)c1ccc(o1)C=CC(C)O 271570a_200011019289_100000148852 [0,1,1,1,0,0|1,0,0]=4 5633 B14R1.362 C=C(C)c1cc(c(c(c1)OC)N)CO 271570a_100000694244_100010235085 [0,1,1,1,0,0|1,0,0]=4 5634 B14R1.362 C=C(C)c1cc(c(c(c1)OC)O)CO 271570a_100000694244_100000185604 [0,1,1,1,0,0|0,0,0]=3 5635 B14R2.2167 COc1cc2c(cc1O)CCC2=O 271570a_203496583355_100010233615 [1,1,0,1,0,0|0,0,1]=4 5636 B14R2.1008 CC(=Cc1ccc2c(c1)CCO2)C 271570a_100102525489_100000729065 [1,1,0,1,0,0|1,0,0]=4 5637 B14R2.1008 CC(=Cc1ccc2c(c1)OCC2)C 271570a_100102525489_100009818566 [1,1,0,1,0,0|1,0,0]=4 5638 B14R2.1008 CC(=Cc1ccc2c(c1)OCO2)C 271570a_100102525489_100000688060 [1,1,0,1,0,0|0,0,0]=3 5639 B14R2.1008 CC(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200000210301 [1,1,0,1,0,0|0,0,1]=4 5640 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 11a_100000209953_100015343762 [1,1,0,1,0,0|1,0,0]=4 5641 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 1626a_100000209953_100015343762 [1,1,0,1,0,0|1,0,0]=4 5642 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100000070787 [1,1,0,1,0,0|1,0,0]=4 5643 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 527a_100000209953_100103153847 [1,1,0,1,0,0|1,0,0]=4 5644 B14R2.1008 [13CH3]C(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200025704644 [1,1,0,1,0,0|0,0,1]=4 5645 B14R2.134 COc1ccc2c(c1)NC(=O)CO2 34a_100009876821_200000210301 [1,1,0,1,0,0|1,0,0]=4 5646 B14R2.134 [13CH3]Oc1ccc2c(c1)NC(=O)CO2 34a_100009876821_200025704644 [1,1,0,1,0,0|1,0,0]=4 5647 B14R2.11647 CSc1cccc2c1sc(c2)CO 62a_100010255382_200000210301 [1,1,0,1,0,0|0,1,0]=4 5648 B14R2.11647 CSc1cccc2c1sc(c2)CO 62a_200000210301_100010255382 [1,1,0,1,0,0|0,1,0]=4 5649 B14R2.11647 [13CH3]Sc1cccc2c1sc(c2)CO 62a_100010255382_200025704644 [1,1,0,1,0,0|0,1,0]=4 5650 B14R2.11647 [13CH3]Sc1cccc2c1sc(c2)CO 62a_200025704644_100010255382 [1,1,0,1,0,0|0,1,0]=4 5651 B14R2.10 CCc1cccc(c1)C2=CCOC2 271570a_100009872500_100000684523 [1,1,0,1,0,0|1,0,0]=4 5652 B14R2.10 CNc1cccc(c1)C2=CCOC2 271570a_100009872500_100000219648 [1,1,0,1,0,0|1,0,0]=4 5653 B14R2.10 COc1cc(ccn1)C2=CCOC2 271570a_100009872500_100000117307 [1,1,0,1,0,0|1,0,0]=4 5654 B14R2.10 COc1cccc(c1)C2=CCCC2 271570a_100000089523_100000170001 [1,1,0,1,0,0|1,0,0]=4 5655 B14R2.10 COc1cccc(c1)C2=CCOC2 271570a_100009872500_100000170001 [1,1,0,1,0,0|0,0,0]=3 5656 B14R2.10 COc1cccc(c1)C2=COCC2 271570a_100000118173_100000170001 [1,1,0,1,0,0|0,0,1]=4 5657 B14R2.10 COc1cccc(c1)c2ccco2 271570a_100000750936_100000170001 [1,1,0,1,0,0|0,0,1]=4 5658 B14R2.10 COc1cccc(c1)c2ccco2 271570a_100000751105_100009814098 [1,1,0,1,0,0|0,0,1]=4 5659 B14R2.10 COc1cccc(c1)c2ccoc2 271570a_100000751105_100011215275 [1,1,0,1,0,0|0,0,1]=4 5660 B14R2.10 COc1cccc(c1)c2ccoc2 271570a_100011218838_100000170001 [1,1,0,1,0,0|0,0,1]=4 5661 B14R2.10 COc1cccc(c1)c2cnco2 271570a_100000751105_100020591547 [1,1,0,1,0,0|0,0,1]=4 5662 B14R2.10 COc1cccc(c1)c2cnoc2 271570a_100000751105_100009815712 [1,1,0,1,0,0|1,0,0]=4 5663 B14R2.10 COc1cccc(c1)c2ncco2 271570a_100000751105_100011787736 [1,1,0,1,0,0|0,0,1]=4 5664 B14R2.10 COc1cccc(n1)C2=CCOC2 271570a_100009872500_100000760917 [1,1,0,1,0,0|1,0,0]=4 5665 B14R2.10 COc1ccnc(c1)C2=CCOC2 271570a_100009872500_100011216251 [1,1,0,1,0,0|1,0,0]=4 5666 B14R2.10 COc1cncc(c1)C2=CCOC2 271570a_100009872500_100000684773 [1,1,0,1,0,0|1,0,0]=4 5667 B14R2.10 CSc1cccc(c1)C2=CCOC2 271570a_100009872500_100011215954 [1,1,0,1,0,0|0,1,0]=4 5668 B14R2.11684 COc1cccc2c1nc(cc2)O 271570a_203496583355_200011787714 [1,1,0,1,0,0|0,0,1]=4 5669 B14R2.1264 CC(O)C=Cc1ccc2c(c1)CC2 271570a_200011019289_100009818592 [1,1,0,1,0,0|1,0,0]=4 5670 B14R2.2185 COc1cccc(c1)C=CC2CC2 271570a_100102526188_100000170001 [1,1,0,1,0,0|1,0,0]=4 5671 B14R2.1801 COc1ccc2c(cccc2c1)O 271570a_203496583355_100010151670 [1,1,0,1,0,0|0,0,1]=4 5672 B14R2.1801 COc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045488 [1,1,0,1,0,0|0,0,1]=4 5673 B14R2.1801 COc1ccc2c(nccc2c1)O 271570a_203496583355_100000084302 [1,1,0,1,0,0|0,0,1]=4 5674 B14R2.11635 COc1cccc2c1c(ccc2)O 271570a_203496583355_100010152499 [1,1,0,1,0,0|0,0,1]=4 5675 B14R2.11635 COc1cccc2c1c(ccn2)O 271570a_203496583355_100010204250 [1,1,0,1,0,0|0,0,1]=4 5676 B14R2.8239 Oc1ccc2cc(c(cc2c1)O)O 271570a_203496583355_100010179872 [1,1,0,1,0,0|0,0,1]=4 5677 B16R2.477 CC(C)C=Cc1ccc2c(c1)OCCO2 271570a_100016257149_100000184379 [0,2,0,1,0,0|1,0,0]=4 5678 B16R2.477 CC(O)C=Cc1ccc2c(c1)CCCO2 271570a_200011019289_100011393166 [0,2,0,1,0,0|1,0,0]=4 5679 B16R2.477 CC(O)C=Cc1ccc2c(c1)COCC2 271570a_200011019289_100010128096 [0,2,0,1,0,0|1,0,0]=4 5680 B16R2.477 CC(O)C=Cc1ccc2c(c1)NCCO2 271570a_200011019289_100000708519 [0,2,0,1,0,0|1,0,0]=4 5681 B16R2.477 CC(O)C=Cc1ccc2c(c1)OCCC2 271570a_200011019289_100010700467 [0,2,0,1,0,0|1,0,0]=4 5682 B16R2.477 CC(O)C=Cc1ccc2c(c1)OCCN2 271570a_200011019289_100012355470 [0,2,0,1,0,0|1,0,0]=4 5683 B16R2.477 CC(O)C=Cc1ccc2c(c1)OCCO2 271570a_200011019289_100000184379 [0,2,0,1,0,0|0,0,0]=3 5684 B16R2.3892 Cc1nc2cc(ccc2o1)C=CC(C)O 271570a_200011019289_100009816932 [0,2,0,1,0,0|1,0,0]=4 5685 B16R2.3892 Cc1nc2ccc(cc2o1)C=CC(C)O 271570a_200011019289_100010171164 [0,2,0,1,0,0|1,0,0]=4 5686 B16R2.24410 CC(O)C=Cc1ccc(c2c1cco2)O 271570a_200011019289_200020711608 [0,2,0,1,0,0|0,0,1]=4 5687 B16R2.97934 CC(O)C=Cc1ccc2c(c1)C(=O)CO2 271570a_200011019289_100000752586 [0,2,0,1,0,0|1,0,0]=4 5688 B16R2.97934 Cc1coc2c1cc(cc2)C=CC(C)O 271570a_200011019289_100000728893 [0,2,0,1,0,0|1,0,0]=4 5689 B16R2.97934 Cc1noc2c1cc(cc2)C=CC(C)O 271570a_200011019289_100010196875 [0,2,0,1,0,0|1,0,0]=4 5690 B16R2.3954 CC(C)C=Cc1cc2c(cc1N)OCO2 271570a_100016257149_100012557033 [0,2,0,1,0,0|1,0,0]=4 5691 B16R2.3954 CC(C)C=Cc1cc2c(cc1O)OCO2 271570a_100016257149_100010290809 [0,2,0,1,0,0|1,0,0]=4 5692 B16R2.3954 CC(O)C=Cc1cc2c(cc1N)OCO2 271570a_200011019289_100012557033 [0,2,0,1,0,0|0,0,0]=3 5693 B16R2.3954 CC(O)C=Cc1cc2c(cc1O)OCO2 271570a_200011019289_100010290809 [0,2,0,1,0,0|0,0,0]=3 5694 B16R2.202652 COc1cc(c(cc1O)F)C=CC2CC2 271570a_100102526188_100010189133 [0,2,0,1,0,0|1,0,0]=4 5695 B16R2.82843 CC(C)(C)C=Cc1ccc2c(c1)OCO2 271570a_100102527731_100000688060 [0,2,0,1,0,0|1,0,0]=4 5696 B16R2.82843 CC(C)(O)C=Cc1ccc2c(c1)CCO2 271570a_200016258132_100000729065 [0,2,0,1,0,0|1,0,0]=4 5697 B16R2.82843 CC(C)(O)C=Cc1ccc2c(c1)OCC2 271570a_200016258132_100009818566 [0,2,0,1,0,0|1,0,0]=4 5698 B16R2.82843 CC(C)(O)C=Cc1ccc2c(c1)OCO2 271570a_200016258132_100000688060 [0,2,0,1,0,0|0,0,0]=3 5699 B16R2.2324 COc1cc(ccc1O)C2=CC(=O)CC2 271570a_100010737933_100000694246 [0,2,0,1,0,0|1,0,0]=4 5700 B16R2.2324 COc1cc(ccc1O)c2ccc(o2)C 271570a_100000061910_100000694246 [0,2,0,1,0,0|0,0,1]=4 5701 B16R2.6882 COc1cc(ccc1O)C(=O)CC2CO2 1458a_100000687070_100011216344 [0,2,0,1,0,0|0,0,1]=4 5702 B16R2.6882 COc1cc(ccc1O)C(=O)C[C@@H]2CO2 1458a_100000687070_100000745022 [0,2,0,1,0,0|0,0,1]=4 5703 B16R2.11587 CC(O)CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100011218427 [0,2,0,1,0,0|0,0,1]=4 5704 B16R2.6257 C[C@@H](O)C(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100000717761 [0,2,0,1,0,0|1,0,0]=4 5705 B16R2.6257 C[C@H](O)C(=O)Nc1ccc2c(c1)OCO2 1626a_100000209953_217856618621 [0,2,0,1,0,0|1,0,0]=4 5706 B16R2.6257 C[C@H](O)C(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_217856618621 [0,2,0,1,0,0|1,0,0]=4 5707 B16R2.6257 O=C(Nc1ccc2c(c1)OCO2)C(O)O 22a_100000209953_100000233687 [0,2,0,1,0,0|1,0,0]=4 5708 B16R2.6910 COc1cc(ccc1O)NC(=O)C2CO2 22a_100000726020_100000701028 [0,2,0,1,0,0|0,0,1]=4 5709 B16R2.6910 COc1cc(ccc1O)NC(=O)C2CO2 527a_100000726020_100000701028 [0,2,0,1,0,0|0,0,1]=4 5710 B16R2.1357 CCC(=O)C=Cc1ccc2c(c1)OCO2 1458a_100000182195_100000210202 [0,2,0,1,0,0|1,0,0]=4 5711 B16R2.1357 O=C(C=Cc1ccc2c(c1)OCO2)CF 1458a_100000182195_100015361967 [0,2,0,1,0,0|1,0,0]=4 5712 B16R2.1357 O=C(CO)NCc1ccc2c(c1)OCO2 240690a_100000210006_100000210174 [0,2,0,1,0,0|0,0,1]=4 5713 B16R2.1357 O=C(CO)NCc1ccc2c(c1)OCO2 527a_100000210006_100000210174 [0,2,0,1,0,0|0,0,1]=4 5714 B16R2.83537 CC(C)C=Cc1ccc2c(c1F)OCO2 271570a_100016257149_100010223184 [0,2,0,1,0,0|1,0,0]=4 5715 B16R2.83537 CC(O)C=Cc1ccc2c(c1F)OCO2 271570a_200011019289_100010223184 [0,2,0,1,0,0|0,0,0]=3 5716 B16R2.83537 Cc1c(ccc2c1OCO2)C=CC(C)C 271570a_100016257149_100010335860 [0,2,0,1,0,0|1,0,0]=4 5717 B16R2.83537 Cc1c(ccc2c1OCO2)C=CC(C)O 271570a_200011019289_100010335860 [0,2,0,1,0,0|0,0,0]=3 5718 B16R2.1461 COc1cc2ccc(=O)oc2cc1OC 7a_100000032626_200000210301 [0,2,0,1,0,0|0,0,1]=4 5719 B16R2.1461 COc1cc2ccc(=O)oc2cc1O[13CH3] 7a_100000032626_200025704644 [0,2,0,1,0,0|0,0,1]=4 5720 B16R2.15331 CC(O)C=Cc1ccc2c(c1)CCC2O 271570a_200011019289_100000747877 [0,2,0,1,0,0|1,0,0]=4 5721 B16R2.15331 CC(O)C=Cc1ccc2c(c1)OCC2=O 271570a_200011019289_100000686717 [0,2,0,1,0,0|0,0,1]=4 5722 B16R2.15331 CC(O)C=Cc1ccc2c(c1)OCC2N 271570a_200011019289_100020628175 [0,2,0,1,0,0|1,0,0]=4 5723 B16R2.15331 CC(O)C=Cc1ccc2c(noc2c1)O 271570a_200011019289_100000727085 [0,2,0,1,0,0|1,0,0]=4 5724 B16R2.196403 COc1cc(ccc1CO)C=CC2CC2 271570a_100102526188_100011277633 [0,2,0,1,0,0|1,0,0]=4 5725 B16R2.196403 COc1ccc(cc1OC)C=CC2CC2 271570a_100102526188_100000187503 [0,2,0,1,0,0|1,0,0]=4 5726 B16R2.2321 CCc1cc(ccc1O)C2=CCCCO2 271570a_100010177797_100012338938 [0,2,0,1,0,0|1,0,0]=4 5727 B16R2.2321 CCc1cc(ccc1O)C2=CCOCC2 271570a_100000070234_100012338938 [0,2,0,1,0,0|1,0,0]=4 5728 B16R2.2321 COc1cc(ccc1Br)C2=CCCCO2 271570a_100010177797_100012353699 [0,2,0,1,0,0|1,0,0]=4 5729 B16R2.2321 COc1cc(ccc1Br)C2=CCOCC2 271570a_100000070234_100012353699 [0,2,0,1,0,0|1,0,0]=4 5730 B16R2.2321 COc1cc(ccc1C)C2=CCCCO2 271570a_100010177797_100011830276 [0,2,0,1,0,0|1,0,0]=4 5731 B16R2.2321 COc1cc(ccc1C)C2=CCOCC2 271570a_100000070234_100011830276 [0,2,0,1,0,0|1,0,0]=4 5732 B16R2.2321 COc1cc(ccc1Cl)C2=CCCCO2 271570a_100010177797_100011356853 [0,2,0,1,0,0|1,0,0]=4 5733 B16R2.2321 COc1cc(ccc1Cl)C2=CCOCC2 271570a_100000070234_100011356853 [0,2,0,1,0,0|1,0,0]=4 5734 B16R2.2321 COc1cc(ccc1F)C2=CCCCO2 271570a_100010177797_100011934186 [0,2,0,1,0,0|1,0,0]=4 5735 B16R2.2321 COc1cc(ccc1F)C2=CCOCC2 271570a_100000070234_100011934186 [0,2,0,1,0,0|1,0,0]=4 5736 B16R2.2321 COc1cc(ccc1N)C2=CCCCO2 271570a_100010177797_100011279103 [0,2,0,1,0,0|1,0,0]=4 5737 B16R2.2321 COc1cc(ccc1N)C2=CCOCC2 271570a_100000070234_100011279103 [0,2,0,1,0,0|1,0,0]=4 5738 B16R2.2321 COc1cc(ccc1O)C2=CCCCC2 271570a_100000062251_100000694246 [0,2,0,1,0,0|1,0,0]=4 5739 B16R2.2321 COc1cc(ccc1O)C2=CCCCO2 271570a_100010177797_100000694246 [0,2,0,1,0,0|0,0,0]=3 5740 B16R2.2321 COc1cc(ccc1O)C2=CCNCC2 271570a_100000731432_100000694246 [0,2,0,1,0,0|1,0,0]=4 5741 B16R2.2321 COc1cc(ccc1O)C2=CCOCC2 271570a_100000070234_100000694246 [0,2,0,1,0,0|0,0,0]=3 5742 B16R2.2321 COc1cc(ccc1O)C2=CCSCC2 271570a_100010232141_100000694246 [0,2,0,1,0,0|0,1,0]=4 5743 B16R2.2321 COc1cc(ccc1O)C2=COCCC2 271570a_100010175576_100000694246 [0,2,0,1,0,0|0,0,1]=4 5744 B16R2.2321 COc1nc(ccc1O)C2=CCCCO2 271570a_100010177797_100010893133 [0,2,0,1,0,0|1,0,0]=4 5745 B16R2.2321 COc1nc(ccc1O)C2=CCOCC2 271570a_100000070234_100010893133 [0,2,0,1,0,0|1,0,0]=4 5746 B16R2.6871 COc1cc(ccc1O)c2ccoc2C 271570a_100000070625_100000694246 [0,2,0,1,0,0|0,0,1]=4 5747 B16R2.6871 COc1cc(ccc1O)c2cnoc2C 271570a_100000040328_100009872056 [0,2,0,1,0,0|1,0,0]=4 5748 B16R2.6871 COc1cc(ccc1O)c2cnoc2C 271570a_100000723675_100000694246 [0,2,0,1,0,0|1,0,0]=4 5749 B16R2.6871 COc1cc(ccc1O)c2conc2N 271570a_100000040328_100012597345 [0,2,0,1,0,0|1,0,0]=4 5750 B16R2.767 O=C(CCO)c1ccc2c(c1)OCCO2 1458a_100000182659_100000211926 [0,2,0,1,0,0|0,0,1]=4 5751 B16R2.1935 COc1cc2ccnc(c2cc1OC)O 271570a_203496583355_200010218165 [0,2,0,1,0,0|0,0,1]=4 5752 B16R2.1935 COc1cc2nccc(c2cc1OC)O 271570a_203496583355_100011310502 [0,2,0,1,0,0|0,0,1]=4 5753 B16R2.2275 CCc1cc(ccc1OC)C2=CCOC2 271570a_100009872500_200010179862 [0,2,0,1,0,0|1,0,0]=4 5754 B16R2.2275 CCc1ccc(cc1OC)C2=CCOC2 271570a_100009872500_200010710398 [0,2,0,1,0,0|1,0,0]=4 5755 B16R2.2275 COc1cc(ccc1C#N)C2=CCOC2 271570a_100009872500_100000694671 [0,2,0,1,0,0|1,0,0]=4 5756 B16R2.2275 COc1cc(ccc1C=O)C2=CCOC2 271570a_100009872500_100000697075 [0,2,0,1,0,0|0,0,1]=4 5757 B16R2.2275 COc1cc(ccc1CO)C2=CCCC2 271570a_100000089523_100011277633 [0,2,0,1,0,0|1,0,0]=4 5758 B16R2.2275 COc1cc(ccc1CO)C2=CCOC2 271570a_100009872500_100011277633 [0,2,0,1,0,0|0,0,0]=3 5759 B16R2.2275 COc1cc(ccc1CO)C2=COCC2 271570a_100000118173_100011277633 [0,2,0,1,0,0|0,0,1]=4 5760 B16R2.2275 COc1cc(ccc1CO)c2ccco2 271570a_100000750936_100011277633 [0,2,0,1,0,0|0,0,1]=4 5761 B16R2.2275 COc1cc(ccc1CO)c2ccco2 271570a_100010045249_100009814098 [0,2,0,1,0,0|0,0,1]=4 5762 B16R2.2275 COc1cc(ccc1CO)c2ccoc2 271570a_100010045249_100011215275 [0,2,0,1,0,0|0,0,1]=4 5763 B16R2.2275 COc1cc(ccc1CO)c2ccoc2 271570a_100011218838_100011277633 [0,2,0,1,0,0|0,0,1]=4 5764 B16R2.2275 COc1cc(ccc1CO)c2cnco2 271570a_100010045249_100020591547 [0,2,0,1,0,0|0,0,1]=4 5765 B16R2.2275 COc1cc(ccc1CO)c2cnoc2 271570a_100010045249_100009815712 [0,2,0,1,0,0|1,0,0]=4 5766 B16R2.2275 COc1cc(ccc1CO)c2ncco2 271570a_100010045249_100011787736 [0,2,0,1,0,0|0,0,1]=4 5767 B16R2.2275 COc1cc(ccc1SC)C2=CCOC2 271570a_100009872500_200011001119 [0,2,0,1,0,0|0,1,0]=4 5768 B16R2.2275 COc1cc(cnc1CO)C2=CCOC2 271570a_100009872500_200010246159 [0,2,0,1,0,0|1,0,0]=4 5769 B16R2.2275 COc1cc(cnc1OC)C2=CCOC2 271570a_100009872500_100010234541 [0,2,0,1,0,0|1,0,0]=4 5770 B16R2.2275 COc1cc(ncc1CO)C2=CCOC2 271570a_100009872500_100010714672 [0,2,0,1,0,0|1,0,0]=4 5771 B16R2.2275 COc1ccc(cc1OC)C2=CCCC2 271570a_100000089523_100000187503 [0,2,0,1,0,0|1,0,0]=4 5772 B16R2.2275 COc1ccc(cc1OC)C2=CCOC2 271570a_100009872500_100000187503 [0,2,0,1,0,0|0,0,0]=3 5773 B16R2.2275 COc1ccc(cc1OC)C2=COCC2 271570a_100000118173_100000187503 [0,2,0,1,0,0|0,0,1]=4 5774 B16R2.2275 COc1ccc(cc1OC)c2ccco2 271570a_100000743868_100009814098 [0,2,0,1,0,0|0,0,1]=4 5775 B16R2.2275 COc1ccc(cc1OC)c2ccco2 271570a_100000750936_100000187503 [0,2,0,1,0,0|0,0,1]=4 5776 B16R2.2275 COc1ccc(cc1OC)c2ccoc2 271570a_100000743868_100011215275 [0,2,0,1,0,0|0,0,1]=4 5777 B16R2.2275 COc1ccc(cc1OC)c2ccoc2 271570a_100011218838_100000187503 [0,2,0,1,0,0|0,0,1]=4 5778 B16R2.2275 COc1ccc(cc1OC)c2cnco2 271570a_100000743868_100020591547 [0,2,0,1,0,0|0,0,1]=4 5779 B16R2.2275 COc1ccc(cc1OC)c2cnoc2 271570a_100000743868_100009815712 [0,2,0,1,0,0|1,0,0]=4 5780 B16R2.2275 COc1ccc(cc1OC)c2ncco2 271570a_100000743868_100011787736 [0,2,0,1,0,0|0,0,1]=4 5781 B16R2.2275 COc1ccc(cc1SC)C2=CCOC2 271570a_100009872500_200009892704 [0,2,0,1,0,0|0,1,0]=4 5782 B16R2.2275 COc1ccc(nc1OC)C2=CCOC2 271570a_100009872500_100010214848 [0,2,0,1,0,0|1,0,0]=4 5783 B16R2.2275 COc1nc(ccc1CO)C2=CCOC2 271570a_100009872500_100010988397 [0,2,0,1,0,0|1,0,0]=4 5784 B16R2.130 CC(=O)c1cc(ccc1O)C2=CCOC2 271570a_100009872500_100000212127 [0,2,0,1,0,0|1,0,0]=4 5785 B16R2.130 CC(C)c1cc(ccc1O)C2=CCOC2 271570a_100009872500_100000691460 [0,2,0,1,0,0|1,0,0]=4 5786 B16R2.2122 COCCC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100000233755 [0,2,0,1,0,0|0,0,1]=4 5787 B16R2.2122 O=C(CCCO)c1ccc2c(c1)OCO2 1458a_100000210863_100011215043 [0,2,0,1,0,0|0,0,1]=4 5788 B16R2.2122 O=C(NCCO)c1ccc2c(c1)OCO2 240690a_100000210304_100000210863 [0,2,0,1,0,0|0,0,1]=4 5789 B16R2.2122 O=C(NCCO)c1ccc2c(c1)OCO2 527a_100000210304_100000210863 [0,2,0,1,0,0|0,0,1]=4 5790 B16R2.54878 COc1cc(ccc1O)C(=O)C2COC2 1458a_100000687070_100000687716 [0,2,0,1,0,0|0,0,1]=4 5791 B16R2.539 CCOc1cc(ccc1C)C2=CCOC2 271570a_100009872500_100012361169 [0,2,0,1,0,0|1,0,0]=4 5792 B16R2.539 CCOc1cc(ccc1F)C2=CCOC2 271570a_100009872500_200012344967 [0,2,0,1,0,0|1,0,0]=4 5793 B16R2.539 CCOc1cc(ccc1N)C2=CCOC2 271570a_100009872500_100000688918 [0,2,0,1,0,0|1,0,0]=4 5794 B16R2.539 CNCc1cc(ccc1O)C2=CCOC2 271570a_100009872500_100011602694 [0,2,0,1,0,0|1,0,0]=4 5795 B16R2.539 COCc1cc(ccc1Br)C2=CCOC2 271570a_100009872500_202125822959 [0,2,0,1,0,0|1,0,0]=4 5796 B16R2.539 COCc1cc(ccc1F)C2=CCOC2 271570a_100009872500_100010140362 [0,2,0,1,0,0|1,0,0]=4 5797 B16R2.751 Cc1c(ccc2c1OCO2)C(=O)CCO 1458a_100009908537_100000211926 [0,2,0,1,0,0|0,0,1]=4 5798 B16R2.10433 COc1c(ccc(c1F)C2=CCOC2)Cl 271570a_100009872500_200135222481 [0,2,0,1,0,0|1,0,0]=4 5799 B16R2.10433 COc1c(ccc(c1F)C2=CCOC2)N 271570a_100009872500_100010734149 [0,2,0,1,0,0|1,0,0]=4 5800 B16R2.2042 COc1cc(c(cc1Br)Br)C2=CCOC2 271570a_100009872500_200014006352 [0,2,0,1,0,0|1,0,0]=4 5801 B16R2.2042 COc1cc(c(cc1C)N)C2=CCOC2 271570a_100009872500_200010584344 [0,2,0,1,0,0|1,0,0]=4 5802 B16R2.2042 COc1cc(c(cc1Cl)F)C2=CCOC2 271570a_100009872500_100010739614 [0,2,0,1,0,0|1,0,0]=4 5803 B16R2.2042 COc1cc(c(cc1F)C)C2=CCOC2 271570a_100009872500_100011009880 [0,2,0,1,0,0|1,0,0]=4 5804 B16R2.2042 COc1cc(c(cc1F)F)C2=CCOC2 271570a_100009872500_200015541288 [0,2,0,1,0,0|1,0,0]=4 5805 B16R2.2042 COc1cc(c(cc1F)N)C2=CCOC2 271570a_100009872500_100010365326 [0,2,0,1,0,0|1,0,0]=4 5806 B16R2.2042 COc1cc(c(cc1N)C)C2=CCOC2 271570a_100009872500_100010141321 [0,2,0,1,0,0|1,0,0]=4 5807 B16R2.2042 COc1cc(c(cc1N)F)C2=CCOC2 271570a_100009872500_100012766639 [0,2,0,1,0,0|1,0,0]=4 5808 B16R2.2042 COc1cc(c(cc1O)F)C2=CCCC2 271570a_100000089523_100010189133 [0,2,0,1,0,0|1,0,0]=4 5809 B16R2.2042 COc1cc(c(cc1O)F)C2=CCOC2 271570a_100009872500_100010189133 [0,2,0,1,0,0|0,0,0]=3 5810 B16R2.2042 COc1cc(c(cc1O)F)C2=COCC2 271570a_100000118173_100010189133 [0,2,0,1,0,0|0,0,1]=4 5811 B16R2.2042 COc1cc(c(cc1O)F)c2ccco2 271570a_100000750936_100010189133 [0,2,0,1,0,0|0,0,1]=4 5812 B16R2.2042 COc1cc(c(cc1O)F)c2ccoc2 271570a_100011218838_100010189133 [0,2,0,1,0,0|0,0,1]=4 5813 B16R2.29449 O=C(CCO)c1cc2c(cc1Br)OCO2 1458a_100012339479_100000211926 [0,2,0,1,0,0|0,0,1]=4 5814 B16R2.72 CCc1cc(cc(c1O)C)C2=CCOC2 271570a_100009872500_100010659108 [0,2,0,1,0,0|1,0,0]=4 5815 B16R2.72 COc1cc(cc(c1F)C)C2=CCOC2 271570a_100009872500_100010271686 [0,2,0,1,0,0|1,0,0]=4 5816 B16R2.72 COc1cc(cc(c1F)F)C2=CCOC2 271570a_100009872500_100011218012 [0,2,0,1,0,0|1,0,0]=4 5817 B16R2.72 COc1cc(cc(c1F)O)C2=CCOC2 271570a_100009872500_200015524394 [0,2,0,1,0,0|1,0,0]=4 5818 B16R2.72 COc1cc(cc(c1N)C)C2=CCOC2 271570a_100009872500_100000741850 [0,2,0,1,0,0|1,0,0]=4 5819 B16R2.29806 O=C(CCO)c1cc(c2c(c1)OCO2)Br 1458a_100000744664_100000211926 [0,2,0,1,0,0|0,0,1]=4 5820 B16R2.2441 CCCC=Cc1ccc2c(c1)OCCO2 271570a_100016258520_100000184379 [0,2,0,1,0,0|1,0,0]=4 5821 B16R2.2441 CCOC=Cc1ccc2c(c1)OCCO2 271570a_100016256518_100000184379 [0,2,0,1,0,0|1,0,0]=4 5822 B16R2.2441 COCC=Cc1ccc2c(c1)CCCO2 271570a_100016286323_100011393166 [0,2,0,1,0,0|1,0,0]=4 5823 B16R2.2441 COCC=Cc1ccc2c(c1)COCC2 271570a_100016286323_100010128096 [0,2,0,1,0,0|1,0,0]=4 5824 B16R2.2441 COCC=Cc1ccc2c(c1)NCCO2 271570a_100016286323_100000708519 [0,2,0,1,0,0|1,0,0]=4 5825 B16R2.2441 COCC=Cc1ccc2c(c1)OCCC2 271570a_100016286323_100010700467 [0,2,0,1,0,0|1,0,0]=4 5826 B16R2.2441 COCC=Cc1ccc2c(c1)OCCN2 271570a_100016286323_100012355470 [0,2,0,1,0,0|1,0,0]=4 5827 B16R2.2441 COCC=Cc1ccc2c(c1)OCCO2 271570a_100016286323_100000184379 [0,2,0,1,0,0|0,0,0]=3 5828 B16R2.4322 COCC=Cc1ccc2nc(oc2c1)C 271570a_100016286323_100010171164 [0,2,0,1,0,0|1,0,0]=4 5829 B16R2.4322 COCC=Cc1ccc2oc(nc2c1)C 271570a_100016286323_100009816932 [0,2,0,1,0,0|1,0,0]=4 5830 B16R2.7680 COCC=Cc1ccc(c2c1cco2)O 271570a_100016286323_200020711608 [0,2,0,1,0,0|0,0,1]=4 5831 B16R2.5347 O=C(CO)Nc1ccc2c(c1)OCCO2 22a_100020630400_100000210174 [0,2,0,1,0,0|1,0,0]=4 5832 B16R2.5347 O=C(CO)Nc1ccc2c(c1)OCCO2 527a_100020630400_100000210174 [0,2,0,1,0,0|1,0,0]=4 5833 B16R2.27892 COCC=Cc1ccc2c(c1)C(=O)CO2 271570a_100016286323_100000752586 [0,2,0,1,0,0|1,0,0]=4 5834 B16R2.27892 COCC=Cc1ccc2occ(c2c1)C 271570a_100016286323_100000728893 [0,2,0,1,0,0|1,0,0]=4 5835 B16R2.27892 COCC=Cc1ccc2onc(c2c1)C 271570a_100016286323_100010196875 [0,2,0,1,0,0|1,0,0]=4 5836 B16R2.205486 COCC=Cc1ccc2c(c1)CCC2O 271570a_100016286323_100000747877 [0,2,0,1,0,0|1,0,0]=4 5837 B16R2.205486 COCC=Cc1ccc2c(c1)OCC2=O 271570a_100016286323_100000686717 [0,2,0,1,0,0|0,0,1]=4 5838 B16R2.205486 COCC=Cc1ccc2c(c1)OCC2N 271570a_100016286323_100020628175 [0,2,0,1,0,0|1,0,0]=4 5839 B16R2.205486 COCC=Cc1ccc2c(noc2c1)O 271570a_100016286323_100000727085 [0,2,0,1,0,0|1,0,0]=4 5840 B16R2.2326 COc1cc(ccc1O)C=C2CCCC2 271570a_100010378317_100000694246 [0,2,0,1,0,0|1,0,0]=4 5841 B16R2.2326 COc1cc(ccc1O)Sc2ccco2 62a_100009814098_100000694246 [0,2,0,1,0,0|0,0,1]=4 5842 B16R2.2326 COc1cc(ccc1O)Sc2ccoc2 62a_100011215275_100000694246 [0,2,0,1,0,0|0,0,1]=4 5843 B16R2.2326 COc1cc(ccc1O)Sc2ccon2 62a_100009818083_100000694246 [0,2,0,1,0,0|0,0,1]=4 5844 B16R2.2326 COc1cc(ccc1O)Sc2cnco2 62a_100020591547_100000694246 [0,2,0,1,0,0|0,0,1]=4 5845 B16R2.2326 COc1cc(ccc1O)Sc2cnoc2 62a_100009815712_100000694246 [0,2,0,1,0,0|1,0,0]=4 5846 B16R2.2326 COc1cc(ccc1O)Sc2ncco2 62a_100011787736_100000694246 [0,2,0,1,0,0|0,0,1]=4 5847 B16R2.3136 CC/C=C\CNc1ccc2c(c1)OCO2 2230a_100000209953_100103147603 [0,2,0,1,0,0|1,0,0]=4 5848 B16R2.3136 CC/C=C\CNc1ccc2c(c1)OCO2 34a_100000209953_100103147603 [0,2,0,1,0,0|1,0,0]=4 5849 B16R2.3136 CC/C=C\COc1ccc2c(c1)OCO2 34a_100000210298_100103147603 [0,2,0,1,0,0|1,0,0]=4 5850 B16R2.3136 CCCCC=Cc1ccc2c(c1)OCO2 271570a_100016275911_100000688060 [0,2,0,1,0,0|1,0,0]=4 5851 B16R2.2151 COCC(=O)Nc1ccc2c(c1)OCO2 11a_100000209953_100000210968 [0,2,0,1,0,0|1,0,0]=4 5852 B16R2.2151 COCC(=O)Nc1ccc2c(c1)OCO2 1626a_100000209953_100000210968 [0,2,0,1,0,0|1,0,0]=4 5853 B16R2.2151 COCC(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100000210968 [0,2,0,1,0,0|1,0,0]=4 5854 B16R2.2151 COCC(=O)Nc1ccc2c(c1)OCO2 34a_100138415774_100000182918 [0,2,0,1,0,0|1,0,0]=4 5855 B16R2.2151 COCC(=O)Nc1ccc2c(c1)OCO2 527a_100000209953_100000210968 [0,2,0,1,0,0|1,0,0]=4 5856 B16R2.2151 O=C(CCO)Cc1ccc2c(c1)OCO2 1458a_100000743733_100000211926 [0,2,0,1,0,0|0,0,1]=4 5857 B16R2.2151 O=C(CCO)Nc1ccc2c(c1)OCO2 22a_100000209953_100011216618 [0,2,0,1,0,0|0,0,1]=4 5858 B16R2.2089 CCCC=Cc1ccc2c(c1C)OCO2 271570a_100016258520_100010335860 [0,2,0,1,0,0|1,0,0]=4 5859 B16R2.2089 CCCC=Cc1ccc2c(c1F)OCO2 271570a_100016258520_100010223184 [0,2,0,1,0,0|1,0,0]=4 5860 B16R2.2089 CCOC=Cc1ccc2c(c1C)OCO2 271570a_100016256518_100010335860 [0,2,0,1,0,0|1,0,0]=4 5861 B16R2.2089 CCOC=Cc1ccc2c(c1F)OCO2 271570a_100016256518_100010223184 [0,2,0,1,0,0|1,0,0]=4 5862 B16R2.2089 COCC=Cc1ccc2c(c1C)OCO2 271570a_100016286323_100010335860 [0,2,0,1,0,0|0,0,0]=3 5863 B16R2.2089 COCC=Cc1ccc2c(c1F)OCO2 271570a_100016286323_100010223184 [0,2,0,1,0,0|0,0,0]=3 5864 B16R2.27160 CC(C)CC=Cc1ccc2c(c1)OCO2 271570a_100016259101_100000688060 [0,2,0,1,0,0|1,0,0]=4 5865 B16R2.27834 CCCC=Cc1cc2c(cc1N)OCO2 271570a_100016258520_100012557033 [0,2,0,1,0,0|1,0,0]=4 5866 B16R2.27834 CCCC=Cc1cc2c(cc1O)OCO2 271570a_100016258520_100010290809 [0,2,0,1,0,0|1,0,0]=4 5867 B16R2.27834 CCOC=Cc1cc2c(cc1N)OCO2 271570a_100016256518_100012557033 [0,2,0,1,0,0|1,0,0]=4 5868 B16R2.27834 CCOC=Cc1cc2c(cc1O)OCO2 271570a_100016256518_100010290809 [0,2,0,1,0,0|1,0,0]=4 5869 B16R2.27834 COCC=Cc1cc2c(cc1N)OCO2 271570a_100016286323_100012557033 [0,2,0,1,0,0|0,0,0]=3 5870 B16R2.27834 COCC=Cc1cc2c(cc1O)OCO2 271570a_100016286323_100010290809 [0,2,0,1,0,0|0,0,0]=3 5871 B16R2.34310 Cc1cc2c(cc1NC(=O)CO)OCO2 22a_100000066439_100000210174 [0,2,0,1,0,0|1,0,0]=4 5872 B16R2.34310 Cc1cc2c(cc1NC(=O)CO)OCO2 527a_100000066439_100000210174 [0,2,0,1,0,0|1,0,0]=4 5873 B16R2.34310 O=C(CO)Cc1cc2c(cc1Br)OCO2 1458a_100000210174_100009995336 [0,2,0,1,0,0|0,0,1]=4 5874 B16R2.34310 O=C(CO)Cc1cc2c(cc1Cl)OCO2 1458a_100000210174_100000043460 [0,2,0,1,0,0|0,0,1]=4 5875 B16R2.34310 O=C(CO)Nc1cc2c(cc1Cl)OCO2 22a_100000234339_100000210174 [0,2,0,1,0,0|1,0,0]=4 5876 B16R2.34310 O=C(CO)Nc1cc2c(cc1I)OCO2 22a_100012557033_100000210174 [0,2,0,1,0,0|1,0,0]=4 5877 B16R3.6439 C(=CC1CC1)c2ccc3c(c2)OCO3 271570a_100102526188_100000688060 [0,1,0,2,0,0|1,0,0]=4 5878 B16R3.1779 C1=C(CCC1)c2ccc3c(c2)OCO3 271570a_100000089523_100000688060 [0,1,0,2,0,0|1,0,0]=4 5879 B16R3.1779 C1=C(CCO1)c2ccc3c(c2)OCO3 271570a_100000118173_100000688060 [0,1,0,2,0,0|0,0,1]=4 5880 B16R3.1779 C1=C(COC1)c2ccc3c(c2)CCO3 271570a_100009872500_100000729065 [0,1,0,2,0,0|1,0,0]=4 5881 B16R3.1779 C1=C(COC1)c2ccc3c(c2)OCC3 271570a_100009872500_100009818566 [0,1,0,2,0,0|1,0,0]=4 5882 B16R3.1779 C1=C(COC1)c2ccc3c(c2)OCO3 271570a_100009872500_100000688060 [0,1,0,2,0,0|0,0,0]=3 5883 B16R3.1779 c1cc(co1)c2ccc3c(c2)OCO3 271570a_100011218838_100000688060 [0,1,0,2,0,0|0,0,1]=4 5884 B16R3.1779 c1cc(co1)c2ccc3c(c2)OCO3 271570a_100011934442_100011215275 [0,1,0,2,0,0|0,0,1]=4 5885 B16R3.1779 c1cc2c(cc1c3cnoc3)OCO2 271570a_100011934442_100009815712 [0,1,0,2,0,0|1,0,0]=4 5886 B16R3.1779 c1coc(c1)c2ccc3c(c2)OCO3 271570a_100000750936_100000688060 [0,1,0,2,0,0|0,0,1]=4 5887 B16R3.1779 c1coc(c1)c2ccc3c(c2)OCO3 271570a_100011934442_100009814098 [0,1,0,2,0,0|0,0,1]=4 5888 B16R3.1779 c1coc(n1)c2ccc3c(c2)OCO3 271570a_100011934442_100011787736 [0,1,0,2,0,0|0,0,1]=4 5889 B16R3.1779 c1ncc(o1)c2ccc3c(c2)OCO3 271570a_100011934442_100020591547 [0,1,0,2,0,0|0,0,1]=4