0 B14R1.698 CC(=O)CC(=O)Nc1ccc(cc1)Br TS28860 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.698 CC(=O)CC(=O)Nc1ccc(cc1)Cl TS21205 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.698 Cc1ccc(cc1)NC(=O)CC(=O)C TS17308 [0,0,0,0,0,0|2,0,1]=3 3 B14R1.698 Cc1ccc(cc1)OC(=O)CC(C)C TS17530 [0,0,0,0,0,0|0,0,0]=0 4 B13R1.19 CCCC(=O)Nc1ccc(cc1)Br TS26795 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.19 CCCC(=O)Nc1ccc(cc1)O TS14423 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.19 CCOC(=O)Cc1ccc(cc1)Br TS16551 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.19 CCOC(=O)Cc1ccc(cc1)C TS14229 [1,0,0,0,0,0|2,0,0]=3 8 B13R1.19 CCOC(=O)Cc1ccc(cc1)I TS58066 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.19 CCOC(=O)Cc1ccc(cc1)N TS14435 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.19 CCOC(=O)Cc1ccc(cc1)O TS14597 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.19 CCOC(=O)Cc1ccc(nc1)C TS14400 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.19 CCOC(=O)Nc1ccc(cc1)Cl TS18890 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.19 Cc1ccc(cc1)NC(=O)CNC TS21794 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.19 c1cc(ccc1NC(=O)CCCl)Br TS68649 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.19 c1cc(ccc1NC(=O)CCCl)Cl TS22322 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 TS13848 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 TS14035 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.348 CC(C)CC(=O)Cc1ccccc1 TS13901 [1,0,0,0,0,0|1,0,0]=2 19 B13R1.348 CC(C)CC(=O)Nc1ccccc1 TS14060 [1,0,0,0,0,0|1,0,0]=2 20 B13R1.348 CC(C)CC(=O)Nc1ccccc1 TS14072 [1,0,0,0,0,0|1,0,0]=2 21 B13R1.348 CC(C)CC(Cc1ccccc1)O TS14271 [1,0,0,0,0,0|1,0,2]=4 22 B13R1.348 CC(C)NC(=S)Nc1ccccc1 TS51899 [1,0,0,0,0,0|2,1,0]=4 23 B13R1.348 CC(C)OC(=O)Nc1ccccc1 TS47726 [1,0,0,0,0,0|2,0,0]=3 24 B13R1.348 c1ccc(cc1)OC(=O)CC(=O)[O-] TS47858 [1,0,0,0,0,0|2,0,1]=4 25 B13R1.513 CC(C)CCOc1ccc(cc1)N TS21950 [1,0,0,0,0,0|1,0,1]=3 26 B13R1.513 CN(C)CCOc1ccc(cc1)Br TS27117 [1,0,0,0,0,0|2,0,1]=4 27 B13R1.513 Cc1ccc(cc1)NN=NC(C)C TS14076 [1,0,0,0,0,0|3,0,0]=4 28 B15R1.204 CC(=O)CC(=O)Nc1ccc(cc1)OC TS01942 [0,1,0,0,0,0|2,0,1]=4 29 B15R1.913 CC(C)(C)OC(=O)Cc1ccc(cc1)N TS43322 [0,1,0,0,0,0|3,0,0]=4 30 B15R1.913 CC(C)(C)OC(=O)Nc1ccc(cc1)Br TS33336 [0,1,0,0,0,0|3,0,0]=4 31 B15R1.913 CC(C)(C)OC(=O)Nc1ccc(cc1)Cl TS24424 [0,1,0,0,0,0|3,0,0]=4 32 B15R1.913 CC(C)(C)OC(=O)Nc1ccc(cc1)I TS77040 [0,1,0,0,0,0|3,0,0]=4 33 B15R1.913 CC(C)(C)OC(=O)Nc1ccc(cc1)N TS43504 [0,1,0,0,0,0|3,0,0]=4 34 B15R1.913 CC(C)(C)OC(=O)Nc1ccc(cc1)O TS20741 [0,1,0,0,0,0|3,0,0]=4 35 B15R1.913 Cc1ccc(nc1)NC(=O)OC(C)(C)C TS47077 [0,1,0,0,0,0|3,0,0]=4 36 B15R1.8426 Cc1ccc(c(c1)C)NC(=O)CC(=O)C TS19995 [0,1,0,0,0,0|2,0,1]=4 37 B15R2.13973 CC1(c2cc(ccc2NC(=O)O1)Br)C TS02271 [0,0,0,1,0,0|3,0,0]=4 38 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Br TS01982 [0,0,0,0,1,0|2,0,1]=4 39 B13R1.132 CC(C)NC(=O)c1ccc(cn1)Br TS26973 [0,0,0,0,1,0|3,0,0]=4 40 B13R1.132 CC(C)OC(=O)c1ccc(cc1)N TS14434 [0,0,0,0,1,0|2,0,0]=3 41 B13R1.132 CC(C)OC(=O)c1ccc(cc1)O TS47897 [0,0,0,0,1,0|2,0,0]=3 42 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)C TS16658 [0,0,0,0,1,0|1,0,1]=3 43 B13R1.133 CC(C)C(=O)Nc1ccc(cc1)Cl TS18524 [0,0,0,0,1,0|2,0,0]=3 44 B13R1.133 CN(C)C(=O)Nc1ccc(cc1)Br TS26972 [0,0,0,0,1,0|3,0,0]=4 45 B13R1.133 CN(C)C(=O)Nc1ccc(cc1)Cl TS54137 [0,0,0,0,1,0|3,0,0]=4 46 B13R1.133 CN(C)C(=O)Nc1ccc(cc1)Cl TS66465 [0,0,0,0,1,0|3,0,0]=4 47 B12R1.1 CCCCOc1ccc(cc1)Br TS52801 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.1 CCCCOc1ccc(cc1)C TS42790 [2,0,0,0,0,0|0,0,1]=3 49 B12R1.1 CCCCOc1ccc(cc1)N TS12063 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.1 CCCCOc1ccc(cc1)O TS12261 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.1 Cc1ccc(cc1)OCCCBr TS24685 [2,0,0,0,0,0|1,0,1]=4 52 B12R1.32 CCCC(=O)Cc1ccccc1 TS11593 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.32 CCNC(=O)Nc1ccccc1 TS42766 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.32 CCOC(=O)Cc1ccccc1 TS64894 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.32 CCOC(=O)Nc1ccccc1 TS42904 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.32 CNCC(=O)Cc1ccccc1 TS37811 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.32 c1ccc(cc1)NC(=O)CCCl TS48485 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.32 c1ccc(cc1)OC(=O)CCCl TS08976 [2,0,0,0,0,0|1,0,0]=3 59 B12R1.49 CCC(=O)Nc1ccc(cc1)Br TS24457 [2,0,0,0,0,0|2,0,0]=4 60 B12R1.49 CCC(=O)Nc1ccc(cc1)N TS42774 [2,0,0,0,0,0|2,0,0]=4 61 B12R1.49 CCC(=O)Nc1ccc(cc1)O TS42901 [2,0,0,0,0,0|2,0,0]=4 62 B12R1.49 CCC(=O)Sc1ccc(cc1)C TS14652 [2,0,0,0,0,0|0,1,0]=3 63 B12R1.49 Cc1ccc(cc1)CC(=O)OC TS11880 [2,0,0,0,0,0|2,0,0]=4 64 B12R1.49 Cc1ccc(cc1)NC(=O)CCl TS48483 [2,0,0,0,0,0|2,0,0]=4 65 B12R1.49 Cc1ccc(cc1)SC(=O)CCl TS64957 [2,0,0,0,0,0|1,1,0]=4 66 B14R1.33 Cc1ccc(cc1)OC(=O)CCCCl TS21411 [1,1,0,0,0,0|0,0,0]=2 67 B14R1.35 CCOC(=O)C(=O)c1ccc(cc1)C TS17456 [1,1,0,0,0,0|2,0,0]=4 68 B14R1.954 CCCC(=O)Oc1ccc(cc1)C=O TS51460 [1,1,0,0,0,0|0,0,1]=3 69 B14R1.954 CCCC(=O)Oc1ccc(cc1)OC TS17840 [1,1,0,0,0,0|0,0,0]=2 70 B14R1.954 CCOC(=O)Cc1ccc(cc1)OC TS51813 [1,1,0,0,0,0|2,0,0]=4 71 B14R1.954 CCOC(=O)Cc1ccc(cc1)SC TS43858 [1,1,0,0,0,0|2,0,0]=4 72 B14R1.954 CCOC(=O)Nc1ccc(cc1)OC TS18058 [1,1,0,0,0,0|2,0,0]=4 73 B14R1.967 CCOC(=O)Nc1ccc(c(c1)Cl)C TS44412 [1,1,0,0,0,0|2,0,0]=4 74 B14R1.967 CCSC(=O)Nc1ccc(c(c1)Cl)C TS24803 [1,1,0,0,0,0|2,0,0]=4 75 B14R1.417 CC(C)OC(=O)C(=O)c1ccccc1 TS51461 [1,1,0,0,0,0|2,0,0]=4 76 B14R1.425 CC(C)C(C(=O)Nc1ccccc1)Br TS67814 [1,1,0,0,0,0|1,0,0]=3 77 B14R1.433 CC(C)(C)OC(=O)Nc1ccccc1 TS17684 [1,1,0,0,0,0|2,0,0]=4 78 B14R1.433 CC(C)(C)OC(=O)Oc1ccccc1 TS33241 [1,1,0,0,0,0|1,0,0]=3 79 B14R1.1485 CC(C)OP(=O)(O)Oc1ccccc1 TS59807 [1,1,0,0,0,0|2,0,0]=4 80 B14R1.5978 CC(C)OC(=O)Nc1cccc(c1)Cl TS21564 [1,1,0,0,0,0|2,0,0]=4 81 B14R1.5978 CC(C)OC(=O)Nc1cccc(c1)O TS18066 [1,1,0,0,0,0|2,0,0]=4 82 B14R1.4 CN(C)CCOc1ccc(cc1)CN TS17926 [1,1,0,0,0,0|1,0,1]=4 83 B14R1.2 CC(=O)CC(=O)c1ccc(cc1)OC TS01986 [0,1,0,0,1,0|1,0,1]=4 84 B14R1.2 CC(C)NC(=O)c1ccc(cc1)C=O TS17295 [0,1,0,0,1,0|1,0,1]=4 85 B14R1.2 CC(C)NC(=O)c1ccc(cc1)CBr TS67820 [0,1,0,0,1,0|1,0,0]=3 86 B14R1.10 CCC(C)OC(=O)c1ccc(cc1)O TS17846 [0,1,0,0,1,0|2,0,0]=4 87 B14R1.10 Cc1ccc(cc1)C(=O)CC(=O)OC TS17455 [0,1,0,0,1,0|1,0,1]=4 88 B14R1.683 CC(C)(C)NC(=O)c1ccc(cc1)Br TS67818 [0,1,0,0,1,0|2,0,0]=4 89 B14R1.683 CC(C)(C)OC(=O)c1ccc(cc1)Br TS59417 [0,1,0,0,1,0|2,0,0]=4 90 B14R1.683 CC(C)(C)OC(=O)c1ccc(cc1)F TS53671 [0,1,0,0,1,0|2,0,0]=4 91 B14R1.683 CC(C)(C)OC(=O)c1ccc(cc1)N TS70911 [0,1,0,0,1,0|2,0,0]=4 92 B14R1.683 Cc1ccc(cc1)C(=O)OC(C)(C)C TS17514 [0,1,0,0,1,0|1,0,0]=3 93 B14R1.685 CN(C)CC(=O)c1ccc(c(c1)O)O TS53226 [0,1,0,0,1,0|2,0,0]=4 94 B14R1.685 Cc1ccc(cc1N)C(=O)OC(C)C TS17694 [0,1,0,0,1,0|1,0,0]=3 95 B14R1.694 Cc1ccc(cc1)S(=O)(=O)OC(C)C TS44542 [0,1,0,0,1,0|2,0,0]=4 96 B14R1.1019 Cc1ccc(cc1)C(=CN(C)C)C=O TS50955 [0,1,0,0,1,0|1,0,1]=4 97 B14R1.3 CN(C)C(=O)Cc1ccc(cc1)OC TS17683 [0,1,0,0,1,0|2,0,0]=4 98 B14R1.686 Cc1ccc(cc1Cl)NC(=O)N(C)C TS21425 [0,1,0,0,1,0|2,0,0]=4 99 B14R1.700 CC(C)(C)C(=O)Nc1ccc(cc1)Cl TS21224 [0,1,0,0,1,0|2,0,0]=4 100 B16R1.200 CC(C)(C)OC(=O)Nc1ccc(cc1)CN TS23507 [0,2,0,0,0,0|2,0,0]=4 101 B16R1.200 CC(C)(C)OC(=O)Nc1ccc(cc1)CO TS39371 [0,2,0,0,0,0|2,0,0]=4 102 B16R1.200 CC(C)(C)OC(=O)Nc1ccc(cc1)OC TS39423 [0,2,0,0,0,0|2,0,0]=4 103 B16R1.200 CC(C)(C)OC(=O)Oc1ccc(cc1)C=C TS23097 [0,2,0,0,0,0|1,0,1]=4 104 B16R1.200 CC(C)(C)OC(=O)Oc1ccc(cc1)C=O TS23432 [0,2,0,0,0,0|1,0,1]=4 105 B16R1.7180 CCOc1ccc(cc1)NC(=O)CC(C)O TS23693 [0,2,0,0,0,0|2,0,0]=4 106 B16R1.1033 Cc1ccc(cc1N)NC(=O)OC(C)(C)C TS23515 [0,2,0,0,0,0|2,0,0]=4 107 B16R1.11439 Cc1ccc(c(c1)N)NC(=O)OC(C)(C)C TS50165 [0,2,0,0,0,0|2,0,0]=4 108 B14R2.926 Cc1ccc(cc1)N2CCCC2=O TS45982 [1,0,0,1,0,0|1,0,0]=3 109 B14R2.926 c1cc(ccc1N)N2CCCC2=O TS46132 [1,0,0,1,0,0|2,0,0]=4 110 B14R2.926 c1cc(ccc1N2CCCC2=O)Br TS57326 [1,0,0,1,0,0|2,0,0]=4 111 B14R2.926 c1cc(ccc1N2CCCC2=O)Cl TS18146 [1,0,0,1,0,0|2,0,0]=4 112 B14R2.926 c1cc(ccc1N2CCCC2=O)F TS14386 [1,0,0,1,0,0|2,0,0]=4 113 B14R2.949 c1cc(ccc1NC(=O)C2CC2)I TS54996 [1,0,0,1,0,0|2,0,0]=4 114 B14R2.949 c1cc(ccc1NC(=O)C2CC2)S TS51692 [1,0,0,1,0,0|2,0,0]=4 115 B14R2.7974 c1cc2c(cc1Br)CCCC(=O)N2 TS57327 [1,0,0,1,0,0|2,0,0]=4 116 B14R2.7974 c1cc2c(cc1N)CCCC(=O)N2 TS90387 [1,0,0,1,0,0|2,0,0]=4 117 B14R2.598 CC1CC(=O)N(N1)c2ccccc2 TS13878 [1,0,0,1,0,0|2,0,0]=4 118 B14R2.642 CC(C)n1c2ccccc2[nH]c1=O TS46136 [1,0,0,1,0,0|2,0,0]=4 119 B14R2.738 CC1CC(=O)Nc2ccccc2N1 TS46138 [1,0,0,1,0,0|2,0,0]=4 120 B14R2.8732 CC1(c2cc(ccc2C(=O)N1)O)C TS92421 [0,0,0,1,1,0|2,0,0]=4 121 B14R2.4507 CC1(c2cc(ccc2NC1=O)N)C TS13875 [0,0,0,1,1,0|2,0,0]=4 122 B14R2.4507 CC1(c2cc(ccc2NC1=O)O)C TS14036 [0,0,0,1,1,0|2,0,0]=4 123 B14R2.4507 Cc1ccc2c(c1)C(C(=N2)C)(C)C TS13387 [0,0,0,1,1,0|2,0,0]=4 124 B12R1.16 CCCC(=O)c1ccc(cc1)Cl TS48368 [1,0,0,0,1,0|1,0,0]=3 125 B12R1.16 CCCC(=O)c1ccc(cc1)F TS43085 [1,0,0,0,1,0|1,0,0]=3 126 B12R1.16 CCCC(=O)c1ccc(cc1)N TS11723 [1,0,0,0,1,0|1,0,0]=3 127 B12R1.16 CCCC(=O)c1ccc(cc1)O TS42742 [1,0,0,0,1,0|1,0,0]=3 128 B12R1.16 CCOC(=N)c1ccc(cc1)C TS37814 [1,0,0,0,1,0|2,0,0]=4 129 B12R1.16 CCOC(=O)c1ccc(cc1)Br TS52789 [1,0,0,0,1,0|2,0,0]=4 130 B12R1.16 CCOC(=O)c1ccc(cc1)C TS11853 [1,0,0,0,1,0|1,0,0]=3 131 B12R1.16 CCOC(=O)c1ccc(cc1)Cl TS15387 [1,0,0,0,1,0|2,0,0]=4 132 B12R1.16 CCOC(=O)c1ccc(cc1)F TS12505 [1,0,0,0,1,0|2,0,0]=4 133 B12R1.16 CCOC(=O)c1ccc(cc1)I TS16559 [1,0,0,0,1,0|2,0,0]=4 134 B12R1.16 CCOC(=O)c1ccc(cc1)N TS19282 [1,0,0,0,1,0|2,0,0]=4 135 B12R1.16 CCOC(=O)c1ccc(cc1)N TS55757 [1,0,0,0,1,0|2,0,0]=4 136 B12R1.16 CCOC(=O)c1ccc(cc1)O TS00084 [1,0,0,0,1,0|2,0,0]=4 137 B12R1.16 CCOC(=O)c1ccc(cc1)O TS15928 [1,0,0,0,1,0|2,0,0]=4 138 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] TS64291 [1,0,0,0,1,0|2,0,0]=4 139 B12R1.16 CCOC(=O)c1ccc(nc1)C TS12006 [1,0,0,0,1,0|2,0,0]=4 140 B12R1.16 CCOC(=O)c1ccc(nc1)C TS87974 [1,0,0,0,1,0|2,0,0]=4 141 B12R1.16 Cc1ccc(cc1)C(=O)CC#N TS11129 [1,0,0,0,1,0|1,0,1]=4 142 B12R1.16 Cc1ccc(cc1)C(=O)CCCl TS48365 [1,0,0,0,1,0|1,0,0]=3 143 B12R1.16 c1cc(ccc1C(=O)CCCl)Br TS27651 [1,0,0,0,1,0|2,0,0]=4 144 B12R1.16 c1cc(ccc1C(=O)CCCl)Cl TS19513 [1,0,0,0,1,0|2,0,0]=4 145 B12R1.43 CC(=C)C(=O)Oc1ccccc1 TS00244 [1,0,0,0,1,0|0,0,2]=4 146 B12R1.43 CC(C(=O)Nc1ccccc1)Br TS24452 [1,0,0,0,1,0|2,0,0]=4 147 B12R1.43 CC(C)C(=O)Cc1ccccc1 TS11588 [1,0,0,0,1,0|1,0,0]=3 148 B12R1.43 CC(C)C(=O)Oc1ccccc1 TS11856 [1,0,0,0,1,0|0,0,0]=2 149 B12R1.43 CN(C)C(=O)Cc1ccccc1 TS42597 [1,0,0,0,1,0|2,0,0]=4 150 B12R1.43 CN(C)C(=O)Nc1ccccc1 TS42772 [1,0,0,0,1,0|2,0,0]=4 151 B12R1.43 CN(C)C(=O)Nc1ccccc1 TS63486 [1,0,0,0,1,0|2,0,0]=4 152 B12R1.43 CN(C)C(=O)Oc1ccccc1 TS12029 [1,0,0,0,1,0|1,0,0]=3 153 B12R1.43 CN(C)C(=O)Oc1cccnc1 TS12239 [1,0,0,0,1,0|2,0,0]=4 154 B12R1.107 CC(=O)CC(=O)c1ccccc1 TS42435 [1,0,0,0,1,0|1,0,1]=4 155 B12R1.107 CC(C)CC(c1ccccc1)N TS42635 [1,0,0,0,1,0|1,0,1]=4 156 B12R1.107 CC(C)N=C(C)c1ccccc1 TS42351 [1,0,0,0,1,0|2,0,0]=4 157 B12R1.107 CC(C)OC(=O)c1ccccc1 TS11876 [1,0,0,0,1,0|1,0,0]=3 158 B12R1.107 CC(C)OC(=O)c1cccnc1 TS42894 [1,0,0,0,1,0|2,0,0]=4 159 B12R1.107 C[S+](C)CC(=O)c1ccccc1 TS29651 [1,0,0,0,1,0|1,0,0]=3 160 B12R1.107 C[S+](C)CC(=O)c1ccccc1 TS30492 [1,0,0,0,1,0|1,0,0]=3 161 B12R1.21 CC(C)CCc1ccc(cc1)O TS42796 [1,0,0,0,1,0|1,0,1]=4 162 B12R1.21 Cc1ccc(cc1)N=CN(C)C TS42500 [1,0,0,0,1,0|2,0,0]=4 163 B12R1.21 Cc1ccc(cc1)OCC(C)O TS12268 [1,0,0,0,1,0|1,0,0]=3 164 B12R1.20 CC(C(=O)c1ccc(cc1)Br)Br TS35454 [0,0,0,0,2,0|2,0,0]=4 165 B12R1.20 CC(C(=O)c1ccc(cc1)Cl)Br TS09115 [0,0,0,0,2,0|2,0,0]=4 166 B12R1.20 CC(C(=O)c1ccc(cc1)O)Br TS00838 [0,0,0,0,2,0|2,0,0]=4 167 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl TS48369 [0,0,0,0,2,0|1,0,0]=3 168 B12R1.20 CC(C)C(=O)c1ccc(cc1)F TS08678 [0,0,0,0,2,0|1,0,0]=3 169 B12R1.20 CN(C)C(=O)c1ccc(cc1)I TS33669 [0,0,0,0,2,0|2,0,0]=4 170 B12R1.20 CN(C)C(=O)c1ccc(cc1)N TS03004 [0,0,0,0,2,0|2,0,0]=4 171 B14R1.502 CCCC(=O)CCc1ccc(cc1)F TS17910 [1,0,0,0,0,1|2,0,0]=4 172 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)C TS16561 [1,0,0,0,0,1|2,0,0]=4 173 B14R1.502 CCOC(=O)COc1ccc(cc1)Br TS68222 [1,0,0,0,0,1|2,0,0]=4 174 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl TS21781 [1,0,0,0,0,1|2,0,0]=4 175 B14R1.502 CCOC(=O)COc1ccc(cc1)F TS18590 [1,0,0,0,0,1|2,0,0]=4 176 B14R1.502 CCOC(=O)CSc1ccc(cc1)C TS43857 [1,0,0,0,0,1|1,1,0]=4 177 B14R1.423 CC(C)COC(=O)Cc1ccccc1 TS51504 [1,0,0,0,0,1|1,0,0]=3 178 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 TS85301 [1,0,0,0,0,1|1,0,1]=4 179 B14R1.818 CC(C)CC(=O)OCc1ccccc1 TS17505 [1,0,0,0,0,1|0,0,0]=2 180 B14R1.818 CC(C)OC(=O)C=Cc1ccccc1 TS17105 [1,0,0,0,0,1|2,0,0]=4