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