0 B14R1.756 CC=C(C)C(=O)OCc1ccccc1 TS17110 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.756 CCC(C(=O)OCc1ccccc1)O TS51809 [0,0,0,0,0,0|1,0,2]=3 2 B14R1.756 CN(C(=O)COc1ccccc1)OC TS18059 [0,0,0,0,0,0|4,0,0]=4 3 B14R1.756 c1ccc(cc1)COC(=O)C(CBr)Br TS61684 [0,0,0,0,0,0|2,0,2]=4 4 B14R1.756 c1ccc(cc1)COC(=O)[C@@H](CO)N TS53228 [0,0,0,0,0,0|2,0,2]=4 5 B14R1.756 c1ccc(cc1)COC(=O)[C@H](CO)N TS85227 [0,0,0,0,0,0|2,0,2]=4 6 B13R1.42 CC=CC(=O)OCc1ccccc1 TS46110 [1,0,0,0,0,0|0,0,0]=1 7 B13R1.42 CCCC(=O)CCc1ccccc1 TS46164 [1,0,0,0,0,0|1,0,2]=4 8 B13R1.42 CCCC(=O)OCc1ccccc1 TS14243 [1,0,0,0,0,0|0,0,2]=3 9 B13R1.42 CCOC(=O)CCc1ccccc1 TS14228 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.42 CCOC(=O)NCc1ccccc1 TS47751 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.42 CNCC(=O)OCc1ccccc1 TS21940 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.42 CNCC(=O)OCc1ccccc1 TS79080 [1,0,0,0,0,0|1,0,1]=3 13 B13R1.42 c1ccc(cc1)COC(=O)CCN TS79082 [1,0,0,0,0,0|1,0,2]=4 14 B13R1.351 CC(=C)C(=O)NCc1ccccc1 TS45980 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.351 CC(=C)C(=O)OCc1ccccc1 TS13863 [1,0,0,0,0,0|0,0,0]=1 16 B13R1.351 CC(C(=O)OCc1ccccc1)O TS47922 [1,0,0,0,0,0|1,0,1]=3 17 B13R1.351 CC(C(=O)O[Hg]c1ccccc1)O TS66679 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.351 CC(C)C(=O)OCc1ccccc1 TS47553 [1,0,0,0,0,0|0,0,1]=2 19 B13R1.351 CC(C)C(=O)O[SiH2]c1ccccc1 TS51905 [1,0,0,0,0,0|0,1,1]=3 20 B13R1.351 CN(C)C(=S)SCc1ccccc1 TS21180 [1,0,0,0,0,0|1,2,0]=4 21 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)N TS02075 [1,0,0,0,0,0|1,0,1]=3 22 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)N TS21929 [1,0,0,0,0,0|1,0,1]=3 23 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)O TS47888 [1,0,0,0,0,0|1,0,1]=3 24 B13R1.351 C[C@H](C(=O)OCc1ccccc1)N TS79079 [1,0,0,0,0,0|1,0,1]=3 25 B13R1.351 C[C@H](C(=O)OCc1ccccc1)O TS47910 [1,0,0,0,0,0|1,0,1]=3 26 B13R1.351 c1ccc(cc1)CCC(=O)C(=O)O TS47515 [1,0,0,0,0,0|3,0,0]=4 27 B13R1.351 c1ccc(cc1)COC(=O)C(F)Cl TS38346 [1,0,0,0,0,0|2,0,1]=4 28 B15R1.348 CC(C)(C#C)C(=O)OCc1ccccc1 TS47117 [0,1,0,0,0,0|0,0,3]=4 29 B15R1.826 CCOC(=O)C(=O)CCc1ccccc1 TS08474 [0,1,0,0,0,0|2,0,1]=4 30 B15R1.826 c1ccc(cc1)COC(=O)C(CCBr)Br TS64003 [0,1,0,0,0,0|1,0,2]=4 31 B15R1.3678 CC(C)[C@@H](C(=O)OCc1ccccc1)N TS27069 [0,1,0,0,0,0|1,0,2]=4 32 B15R1.3678 CC(C)[C@@H](C(=O)OCc1ccccc1)N TS80334 [0,1,0,0,0,0|1,0,2]=4 33 B15R1.3678 CC(C)[C@H](C(=O)OCc1ccccc1)N TS80336 [0,1,0,0,0,0|1,0,2]=4 34 B15R1.3678 C[C@H]([C@@H](C(=O)OCc1ccccc1)N)O TS83331 [0,1,0,0,0,0|1,0,2]=4 35 B15R2.321 C[C@H]1[C@H](NC(=O)N1C)c2ccccc2 TS51131 [0,0,0,1,0,0|2,0,1]=4 36 B15R2.321 c1ccc(cc1)C2C(=C(C(=O)O2)Br)Br TS76930 [0,0,0,1,0,0|2,0,0]=3 37 B13R1.135 COC(=O)C(=C)Cc1ccccc1 TS46105 [0,0,0,0,1,0|3,0,0]=4 38 B15R1.741 COC(=O)CC(=O)OCc1ccccc1 TS20530 [0,0,0,0,0,1|2,0,0]=3 39 B15R1.741 C[C@@H](CO)NC(=O)OCc1ccccc1 TS33132 [0,0,0,0,0,1|1,0,2]=4 40 B15R1.741 C[C@H](CO)NC(=O)OCc1ccccc1 TS43631 [0,0,0,0,0,1|1,0,2]=4 41 B15R1.1321 CC=C(C)C(=O)OCCc1ccccc1 TS19786 [0,0,0,0,0,1|0,0,0]=1 42 B15R1.1321 CCC(C)C(=O)OCCc1ccccc1 TS20221 [0,0,0,0,0,1|0,0,2]=3 43 B12R1.8 CC=CCCCc1ccccc1 TS42215 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.27 C=CC(=O)NCc1ccccc1 TS42309 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.27 C=CC(=O)OCc1ccccc1 TS01378 [2,0,0,0,0,0|0,0,0]=2 46 B12R1.27 CCC(=O)CCc1ccccc1 TS08927 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.27 CCC(=O)OCc1ccccc1 TS42731 [2,0,0,0,0,0|0,0,1]=3 48 B12R1.27 COC(=O)CCc1ccccc1 TS08580 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.27 c1ccc(cc1)COC(=O)CBr TS59636 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.27 c1ccc(cc1)COC(=O)CCl TS48661 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.27 c1ccc(cc1)COC(=O)CN TS01384 [2,0,0,0,0,0|1,0,1]=4 52 B12R1.27 c1ccc(cc1)COC(=O)CN TS42888 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.27 c1ccc(cc1)COC(=O)CN TS78338 [2,0,0,0,0,0|1,0,1]=4 54 B12R1.27 c1ccc(cc1)COC(=O)CO TS12174 [2,0,0,0,0,0|1,0,1]=4 55 B12R1.27 c1ccc(cc1)COC(=O)CS TS15006 [2,0,0,0,0,0|1,0,1]=4 56 B12R1.27 c1ccc(cc1)COC(=O)NN TS01382 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.27 c1ccc(cc1)COC(=O)NN TS38352 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.27 c1ccc(cc1)COC(=O)NO TS43211 [2,0,0,0,0,0|2,0,0]=4 59 B14R1.29 CCCC(=O)OC(C)c1ccccc1 TS17524 [1,1,0,0,0,0|0,0,2]=4 60 B14R1.156 c1ccc(cc1)COC(=O)CCCBr TS29033 [1,1,0,0,0,0|0,0,2]=4 61 B14R1.156 c1ccc(cc1)COC(=O)CCCN TS79777 [1,1,0,0,0,0|0,0,2]=4 62 B14R1.156 c1ccc(cc1)COC(=O)NCCO TS52005 [1,1,0,0,0,0|1,0,1]=4 63 B14R1.818 CC(=CC(=O)C)NCc1ccccc1 TS50961 [1,1,0,0,0,0|2,0,0]=4 64 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 TS85301 [1,1,0,0,0,0|0,0,1]=3 65 B14R1.818 CC(C)CC(=O)OCc1ccccc1 TS17505 [1,1,0,0,0,0|0,0,2]=4 66 B14R1.818 c1ccc(cc1)COC(=O)CC(=O)[O-] TS51784 [1,1,0,0,0,0|1,0,1]=4 67 B14R1.818 c1ccc(cc1)COC(=O)CC(=O)[O-] TS81417 [1,1,0,0,0,0|1,0,1]=4 68 B14R1.415 CC(c1ccccc1)NC(=O)C(=C)C TS50950 [1,1,0,0,0,0|1,0,0]=3 69 B14R1.532 CCN(CC)C(=O)Cc1ccccc1 TS17348 [0,1,0,0,1,0|1,0,1]=4 70 B16R1.1570 CCOC(=O)CC(=O)OCc1ccccc1 TS50100 [0,1,0,0,0,1|1,0,1]=4 71 B16R1.1672 CC[C@H](C)[C@@H](C(=O)OCc1ccccc1)N TS69042 [0,1,0,0,0,1|0,0,2]=4 72 B16R1.4122 C=C(C(=O)O)NC(=O)OCc1ccccc1 TS23255 [0,1,0,0,0,1|1,0,1]=4 73 B16R1.4122 CC(C(=O)O)NC(=O)OCc1ccccc1 TS23653 [0,1,0,0,0,1|1,0,1]=4 74 B16R1.4122 C[C@@H](C(=O)N)NC(=O)OCc1ccccc1 TS50123 [0,1,0,0,0,1|1,0,1]=4 75 B16R1.4122 C[C@@H](C(=O)O)NC(=O)OCc1ccccc1 TS08907 [0,1,0,0,0,1|1,0,1]=4 76 B16R1.4122 C[C@H](C(=O)O)NC(=O)OCc1ccccc1 TS32829 [0,1,0,0,0,1|1,0,1]=4 77 B16R1.3281 CC(C)[C@@H](C(=O)OCc1ccccc1)NC TS69041 [0,2,0,0,0,0|0,0,2]=4 78 B16R1.1516 CC(CCNN)C(=O)OCc1ccccc1 TS50175 [0,2,0,0,0,0|0,0,2]=4 79 B16R1.1516 C[C@@H](CCNN)C(=O)OCc1ccccc1 TS07863 [0,2,0,0,0,0|0,0,2]=4 80 B16R1.6944 CC(C)CC(=O)C(=O)OCc1ccccc1 TS23099 [0,2,0,0,0,0|1,0,1]=4 81 B16R1.6944 CN(CC(=O)O)C(=O)OCc1ccccc1 TS50302 [0,2,0,0,0,0|2,0,0]=4 82 B14R2.598 C[C@@H]1[C@@H](OC(=O)N1)c2ccccc2 TS59856 [1,0,0,1,0,0|1,0,1]=4 83 B14R2.598 C[C@H]1[C@H](OC(=O)N1)c2ccccc2 TS14028 [1,0,0,1,0,0|1,0,1]=4 84 B14R2.598 c1ccc(cc1)C2C(=O)NC(=O)O2 TS13985 [1,0,0,1,0,0|2,0,0]=4 85 B14R2.8188 Cc1cc2ccccc2c(c1C)C TS12868 [0,0,0,1,1,0|1,0,1]=4 86 B16R2.44148 c1ccc(cc1)COC(=O)C=C2COC2 TS87935 [0,0,0,1,0,1|1,0,1]=4 87 B16R2.2238 c1ccc(cc1)COC(=O)N2CC=CC2 TS38455 [0,1,0,1,0,0|1,0,1]=4 88 B16R2.2238 c1ccc(cc1)COC(=O)[C@@H]2CCCN2 TS26755 [0,1,0,1,0,0|0,0,2]=4 89 B16R2.2238 c1ccc(cc1)COC(=O)[C@H]2CCCN2 TS26753 [0,1,0,1,0,0|0,0,2]=4 90 B16R2.3322 c1ccc(cc1)COC(=O)C2CC(=O)C2 TS85738 [0,1,0,1,0,0|1,0,1]=4 91 B16R2.3322 c1ccc(cc1)COC(=O)C2CC(=O)N2 TS19972 [0,1,0,1,0,0|1,0,1]=4 92 B16R2.3322 c1ccc(cc1)COC(=O)C2CC(C2)O TS88631 [0,1,0,1,0,0|0,0,2]=4 93 B16R2.3322 c1ccc(cc1)COC(=O)N2CC(=O)C2 TS86283 [0,1,0,1,0,0|2,0,0]=4 94 B16R2.3322 c1ccc(cc1)COC(=O)N2CC(C2)Br TS73955 [0,1,0,1,0,0|1,0,1]=4 95 B16R2.3322 c1ccc(cc1)COC(=O)N2CC(C2)I TS76877 [0,1,0,1,0,0|1,0,1]=4 96 B16R2.3322 c1ccc(cc1)COC(=O)N2CC(C2)N TS90726 [0,1,0,1,0,0|1,0,1]=4 97 B16R2.3322 c1ccc(cc1)COC(=O)N2CC(C2)O TS29486 [0,1,0,1,0,0|1,0,1]=4 98 B16R2.3322 c1ccc(cc1)COC(=O)[C@@H]2CC(=O)N2 TS19967 [0,1,0,1,0,0|1,0,1]=4 99 B16R2.3322 c1ccc(cc1)COC(=O)[C@H]2C[C@@H](C2)O TS92687 [0,1,0,1,0,0|0,0,2]=4 100 B16R2.3322 c1ccc(cc1)COC(=O)[C@H]2C[C@H](C2)O TS85869 [0,1,0,1,0,0|0,0,2]=4 101 B12R1.32 C=COC(=O)Cc1ccccc1 TS11548 [1,0,0,0,1,0|1,0,1]=4 102 B12R1.32 CCCC(=O)Cc1ccccc1 TS11593 [1,0,0,0,1,0|0,0,2]=4 103 B12R1.32 CCOC(=O)Cc1ccccc1 TS64894 [1,0,0,0,1,0|1,0,1]=4 104 B12R1.32 CNCC(=O)Cc1ccccc1 TS37811 [1,0,0,0,1,0|1,0,1]=4 105 B12R1.43 CC(=C)C(=O)Nc1ccccc1 TS11415 [1,0,0,0,1,0|1,0,0]=3 106 B12R1.43 CC(=C)C(=O)Oc1ccccc1 TS00244 [1,0,0,0,1,0|0,0,0]=2 107 B12R1.43 CC(C)C(=O)Cc1ccccc1 TS11588 [1,0,0,0,1,0|0,0,1]=3 108 B12R1.43 CC(C)C(=O)Oc1ccccc1 TS11856 [1,0,0,0,1,0|0,0,1]=3 109 B12R1.43 CN(C)C(=O)Cc1ccccc1 TS42597 [1,0,0,0,1,0|1,0,0]=3 110 B12R1.43 CN(C)C(=O)Nc1ccccc1 TS42772 [1,0,0,0,1,0|2,0,0]=4 111 B12R1.43 CN(C)C(=O)Nc1ccccc1 TS63486 [1,0,0,0,1,0|2,0,0]=4 112 B12R1.43 CN(C)C(=O)Oc1ccccc1 TS12029 [1,0,0,0,1,0|1,0,0]=3 113 B12R1.43 CN(C)C(=O)Oc1cccnc1 TS12239 [1,0,0,0,1,0|2,0,0]=4 114 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O TS42697 [1,0,0,0,1,0|2,0,0]=4 115 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS19705 [1,0,0,0,1,0|2,0,0]=4 116 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS48842 [1,0,0,0,1,0|2,0,0]=4 117 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS66652 [1,0,0,0,1,0|2,0,0]=4 118 B12R1.264 CC(=C)C(=O)OCc1ccco1 TS12175 [1,0,0,0,1,0|1,0,0]=3 119 B12R1.34 CC(=NO)C(=O)c1ccccc1 TS42556 [0,0,0,0,2,0|2,0,0]=4 120 B12R1.34 CC(C(=O)c1ccccc1)NC TS18909 [0,0,0,0,2,0|1,0,1]=4 121 B12R1.34 COC(=O)C(=O)c1ccccc1 TS00234 [0,0,0,0,2,0|2,0,0]=4 122 B16R1.1343 COC(=O)CNC(=O)OCc1ccccc1 TS23656 [0,0,0,0,0,2|2,0,0]=4