0 B13R1.42 C=COC(=O)C=Cc1ccccc1 TS13484 [0,0,0,0,0,0|0,0,4]=4 1 B13R1.42 CC=CC(=O)OCc1ccccc1 TS46110 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.42 CCCC(=O)CCc1ccccc1 TS46164 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.42 CCCC(=O)OCc1ccccc1 TS14243 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.42 CCOC(=O)C#Cc1ccccc1 TS13483 [0,0,0,0,0,0|0,0,2]=2 5 B13R1.42 CCOC(=O)C=Cc1ccccc1 TS13866 [0,0,0,0,0,0|0,0,2]=2 6 B13R1.42 CCOC(=O)C=Cc1cccnc1 TS14033 [0,0,0,0,0,0|1,0,2]=3 7 B13R1.42 CCOC(=O)C=Cc1ccncc1 TS33125 [0,0,0,0,0,0|1,0,2]=3 8 B13R1.42 CCOC(=O)CCc1ccccc1 TS14228 [0,0,0,0,0,0|0,0,0]=0 9 B13R1.42 CCOC(=O)CNc1ccccc1 TS47750 [0,0,0,0,0,0|1,0,0]=1 10 B13R1.42 CCOC(=O)COc1ccccc1 TS47895 [0,0,0,0,0,0|1,0,0]=1 11 B13R1.42 CCOC(=O)COc1cccnc1 TS48062 [0,0,0,0,0,0|2,0,0]=2 12 B13R1.42 CCOC(=O)CSc1ccccc1 TS18301 [0,0,0,0,0,0|1,0,0]=1 13 B13R1.42 CCOC(=O)NCc1ccccc1 TS47751 [0,0,0,0,0,0|1,0,0]=1 14 B13R1.42 CNCC(=O)OCc1ccccc1 TS21940 [0,0,0,0,0,0|3,0,0]=3 15 B13R1.42 CNCC(=O)OCc1ccccc1 TS79080 [0,0,0,0,0,0|3,0,0]=3 16 B13R1.42 c1ccc(cc1)COC(=O)CCN TS79082 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.8 CC#CCCCc1ccccc1 TS41962 [1,0,0,0,0,0|1,0,2]=4 18 B12R1.8 CC=CCCCc1ccccc1 TS42215 [1,0,0,0,0,0|1,0,2]=4 19 B12R1.8 CCCCCC[n+]1ccccc1 TS37828 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.8 CCCCCCc1ccccc1 TS11621 [1,0,0,0,0,0|1,0,1]=3 21 B12R1.8 CCCCCCc1ccccn1 TS42629 [1,0,0,0,0,0|2,0,1]=4 22 B12R1.8 CCCCCCc1cccnc1 TS11745 [1,0,0,0,0,0|2,0,1]=4 23 B12R1.8 CCCCCNc1ccccc1 TS42630 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.8 CCCCOCc1ccccc1 TS42802 [1,0,0,0,0,0|2,0,1]=4 25 B12R1.8 CCCNCCc1ccccn1 TS11944 [1,0,0,0,0,0|3,0,0]=4 26 B12R1.8 CCCOCCc1ccccn1 TS42951 [1,0,0,0,0,0|3,0,0]=4 27 B12R1.8 c1ccc(cc1)CCCCCBr TS24328 [1,0,0,0,0,0|2,0,1]=4 28 B12R1.8 c1ccc(cc1)CCCCCN TS11750 [1,0,0,0,0,0|2,0,1]=4 29 B12R1.8 c1ccc(cc1)CCCOC=O TS11872 [1,0,0,0,0,0|1,0,2]=4 30 B12R1.27 C=CC(=O)NCc1ccccc1 TS42309 [1,0,0,0,0,0|1,0,2]=4 31 B12R1.27 C=CC(=O)OCc1ccccc1 TS01378 [1,0,0,0,0,0|1,0,2]=4 32 B12R1.27 CCC(=O)CCc1ccccc1 TS08927 [1,0,0,0,0,0|0,0,0]=1 33 B12R1.27 CCC(=O)NNc1ccccc1 TS42777 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.27 CCC(=O)OCc1ccccc1 TS42731 [1,0,0,0,0,0|1,0,0]=2 35 B12R1.27 CNC(=S)NCc1ccccc1 TS14661 [1,0,0,0,0,0|2,1,0]=4 36 B12R1.27 COC(=O)C#Cc1ccccc1 TS42134 [1,0,0,0,0,0|0,0,2]=3 37 B12R1.27 COC(=O)C=Cc1ccccc1 TS42433 [1,0,0,0,0,0|0,0,2]=3 38 B12R1.27 COC(=O)C=Cc1ccncc1 TS11686 [1,0,0,0,0,0|1,0,2]=4 39 B12R1.27 COC(=O)CCc1ccccc1 TS08580 [1,0,0,0,0,0|0,0,0]=1 40 B12R1.27 COC(=O)CCc1ccncc1 TS12012 [1,0,0,0,0,0|1,0,0]=2 41 B12R1.27 COC(=O)COc1ccccc1 TS12178 [1,0,0,0,0,0|1,0,0]=2 42 B12R1.27 COC(=O)CSc1ccccc1 TS15002 [1,0,0,0,0,0|1,0,0]=2 43 B12R1.27 CSC(=S)NCc1ccccc1 TS18500 [1,0,0,0,0,0|1,2,0]=4 44 B12R1.27 c1cc(cnc1)CCC(=O)NN TS12042 [1,0,0,0,0,0|3,0,0]=4 45 B12R1.27 c1ccc(cc1)CCC(=O)NN TS42773 [1,0,0,0,0,0|2,0,0]=3 46 B12R1.27 c1ccc(cc1)CCC(=O)NO TS42907 [1,0,0,0,0,0|2,0,0]=3 47 B12R1.27 c1ccc(cc1)CNC(=O)CBr TS24462 [1,0,0,0,0,0|2,0,0]=3 48 B12R1.27 c1ccc(cc1)CNC(=O)CCl TS48489 [1,0,0,0,0,0|2,0,0]=3 49 B12R1.27 c1ccc(cc1)COC(=O)CBr TS59636 [1,0,0,0,0,0|2,0,0]=3 50 B12R1.27 c1ccc(cc1)COC(=O)CCl TS48661 [1,0,0,0,0,0|2,0,0]=3 51 B12R1.27 c1ccc(cc1)COC(=O)CN TS01384 [1,0,0,0,0,0|2,0,0]=3 52 B12R1.27 c1ccc(cc1)COC(=O)CN TS42888 [1,0,0,0,0,0|2,0,0]=3 53 B12R1.27 c1ccc(cc1)COC(=O)CN TS78338 [1,0,0,0,0,0|2,0,0]=3 54 B12R1.27 c1ccc(cc1)COC(=O)CO TS12174 [1,0,0,0,0,0|2,0,0]=3 55 B12R1.27 c1ccc(cc1)COC(=O)CS TS15006 [1,0,0,0,0,0|2,0,0]=3 56 B12R1.27 c1ccc(cc1)COC(=O)NN TS01382 [1,0,0,0,0,0|3,0,0]=4 57 B12R1.27 c1ccc(cc1)COC(=O)NN TS38352 [1,0,0,0,0,0|3,0,0]=4 58 B12R1.27 c1ccc(cc1)COC(=O)NO TS43211 [1,0,0,0,0,0|3,0,0]=4 59 B12R1.27 c1ccc(cc1)OCC(=O)OBr TS53117 [1,0,0,0,0,0|2,0,0]=3 60 B14R1.29 CCCC(=O)OC(C)c1ccccc1 TS17524 [0,1,0,0,0,0|2,0,0]=3 61 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 TS56138 [0,1,0,0,0,0|0,0,1]=2 62 B14R1.29 CCOC(=O)CC(=O)c1ccccn1 TS64895 [0,1,0,0,0,0|1,0,1]=3 63 B14R1.29 CCOC(=O)CC(=O)c1cccnc1 TS17651 [0,1,0,0,0,0|1,0,1]=3 64 B14R1.29 CCOC(=O)CC(=O)c1ccncc1 TS17634 [0,1,0,0,0,0|1,0,1]=3 65 B14R1.29 CCOC(=O)CC(=O)c1cnccn1 TS17816 [0,1,0,0,0,0|2,0,1]=4 66 B14R1.29 CCOC(=O)CC(c1ccccc1)N TS51656 [0,1,0,0,0,0|0,0,0]=1 67 B14R1.29 CCOC(=O)CC(c1ccccc1)O TS51816 [0,1,0,0,0,0|0,0,0]=1 68 B14R1.29 CCOC(=O)CS(=O)c1ccccc1 TS21349 [0,1,0,0,0,0|1,0,0]=2 69 B14R1.29 CCOC(=O)C[C@@H](c1ccccc1)N TS52908 [0,1,0,0,0,0|0,0,0]=1 70 B14R1.29 CCOC(=O)C[C@@H](c1ccccc1)O TS17857 [0,1,0,0,0,0|0,0,0]=1 71 B14R1.29 CCOC(=O)C[C@@H](c1cccnc1)N TS30381 [0,1,0,0,0,0|1,0,0]=2 72 B14R1.29 CCOC(=O)C[C@H](c1ccccc1)N TS52911 [0,1,0,0,0,0|0,0,0]=1 73 B14R1.29 CCOC(=O)C[C@H](c1ccccc1)O TS17848 [0,1,0,0,0,0|0,0,0]=1 74 B14R1.29 CCOC(=O)N[C@@H](C)c1ccccc1 TS51654 [0,1,0,0,0,0|1,0,0]=2 75 B14R1.32 CCOC(=O)C=Cc1cccc(c1)N TS17311 [0,1,0,0,0,0|0,0,2]=3 76 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)Cl TS44076 [0,1,0,0,0,0|1,0,2]=4 77 B14R1.32 CCOC(=O)COc1cccc(c1)Br TS68228 [0,1,0,0,0,0|1,0,0]=2 78 B14R1.32 CCOC(=O)COc1cccc(c1)C TS17851 [0,1,0,0,0,0|1,0,0]=2 79 B14R1.32 CCOC(=O)COc1cccc(c1)Cl TS21784 [0,1,0,0,0,0|1,0,0]=2 80 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 TS17635 [0,1,0,0,0,0|1,0,1]=3 81 B14R1.60 CCOC(=O)C(Cc1ccccn1)N TS17884 [0,1,0,0,0,0|1,0,0]=2 82 B14R1.60 CCOC(=O)[C@H](Cc1ccccc1)N TS24788 [0,1,0,0,0,0|0,0,0]=1 83 B14R1.156 C=CCOC(=O)COc1ccccc1 TS17476 [0,1,0,0,0,0|1,0,1]=3 84 B14R1.156 c1ccc(cc1)COC(=O)CCCBr TS29033 [0,1,0,0,0,0|2,0,0]=3 85 B14R1.156 c1ccc(cc1)COC(=O)CCCN TS79777 [0,1,0,0,0,0|2,0,0]=3 86 B14R1.156 c1ccc(cc1)COC(=O)NCC#N TS17071 [0,1,0,0,0,0|2,0,1]=4 87 B14R1.156 c1ccc(cc1)COC(=O)NCCO TS52005 [0,1,0,0,0,0|2,0,0]=3 88 B14R1.502 CCCC(=O)CCc1ccc(cc1)F TS17910 [0,1,0,0,0,0|1,0,0]=2 89 B14R1.502 CCOC(=O)C#Cc1ccc(cc1)Cl TS20660 [0,1,0,0,0,0|0,0,2]=3 90 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Br TS67689 [0,1,0,0,0,0|0,0,2]=3 91 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)C TS16561 [0,1,0,0,0,0|0,0,2]=3 92 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Cl TS43907 [0,1,0,0,0,0|0,0,2]=3 93 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)F TS17829 [0,1,0,0,0,0|0,0,2]=3 94 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)N TS65214 [0,1,0,0,0,0|0,0,2]=3 95 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)O TS51463 [0,1,0,0,0,0|0,0,2]=3 96 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)Cl TS44077 [0,1,0,0,0,0|1,0,2]=4 97 B14R1.502 CCOC(=O)C=Nc1ccc(cc1)Br TS28865 [0,1,0,0,0,0|1,0,1]=3 98 B14R1.502 CCOC(=O)CCc1ccc(cc1)Br TS59770 [0,1,0,0,0,0|0,0,0]=1 99 B14R1.502 CCOC(=O)CCc1ccc(cc1)O TS17844 [0,1,0,0,0,0|0,0,0]=1 100 B14R1.502 CCOC(=O)CNc1ccc(cc1)I TS60464 [0,1,0,0,0,0|1,0,0]=2 101 B14R1.502 CCOC(=O)COc1ccc(cc1)Br TS68222 [0,1,0,0,0,0|1,0,0]=2 102 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl TS21781 [0,1,0,0,0,0|1,0,0]=2 103 B14R1.502 CCOC(=O)COc1ccc(cc1)F TS18590 [0,1,0,0,0,0|1,0,0]=2 104 B14R1.502 CCOC(=O)CSc1ccc(cc1)C TS43857 [0,1,0,0,0,0|1,0,0]=2 105 B14R1.502 CCOC(=O)CSc1ccc(cc1)Cl TS24991 [0,1,0,0,0,0|1,0,0]=2 106 B14R1.502 CCOC(=O)N=Cc1ccc(cc1)Cl TS44074 [0,1,0,0,0,0|1,0,1]=3 107 B14R1.502 CCOC(=O)N=Cc1ccc(cc1)F TS18044 [0,1,0,0,0,0|1,0,1]=3 108 B14R1.598 CCOC(=O)C=Cc1cccnc1Cl TS44075 [0,1,0,0,0,0|1,0,2]=4 109 B14R1.598 CCOC(=O)CCc1ccccc1Br TS29034 [0,1,0,0,0,0|0,0,0]=1 110 B14R1.598 CCOC(=O)COc1ccccc1C TS17862 [0,1,0,0,0,0|1,0,0]=2 111 B14R1.598 CCOC(=O)COc1ccccc1Cl TS21778 [0,1,0,0,0,0|1,0,0]=2 112 B14R1.756 CC=C(C)C(=O)OCc1ccccc1 TS17110 [0,1,0,0,0,0|2,0,1]=4 113 B14R1.756 CCC(C(=O)OCc1ccccc1)O TS51809 [0,1,0,0,0,0|2,0,0]=3 114 B14R1.756 CN(C(=O)COc1ccccc1)OC TS18059 [0,1,0,0,0,0|3,0,0]=4 115 B14R1.756 c1ccc(cc1)COC(=O)C(CBr)Br TS61684 [0,1,0,0,0,0|3,0,0]=4 116 B14R1.756 c1ccc(cc1)COC(=O)[C@@H](CO)N TS53228 [0,1,0,0,0,0|3,0,0]=4 117 B14R1.756 c1ccc(cc1)COC(=O)[C@H](CO)N TS85227 [0,1,0,0,0,0|3,0,0]=4 118 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 TS85301 [0,1,0,0,0,0|2,0,1]=4 119 B14R1.818 CC(C)CC(=O)OCc1ccccc1 TS17505 [0,1,0,0,0,0|2,0,0]=3 120 B14R1.818 CC(C)CC(CCc1ccccc1)N TS17357 [0,1,0,0,0,0|2,0,1]=4 121 B14R1.818 CC(C)OC(=O)C=Cc1ccccc1 TS17105 [0,1,0,0,0,0|0,0,2]=3 122 B14R2.21 c1ccc(cc1)C2CC(=O)CCN2 TS22817 [0,0,0,1,0,0|2,0,0]=3 123 B14R2.21 c1ccc(cc1)C2CCCC(=O)C2 TS13534 [0,0,0,1,0,0|1,0,0]=2 124 B14R2.30 c1ccc(cc1)CC2CCCC2=O TS45814 [0,0,0,1,0,0|1,0,0]=2 125 B14R2.30 c1ccc(cc1)CN2CCCC2=O TS45979 [0,0,0,1,0,0|2,0,0]=3 126 B14R2.101 c1ccc(cc1)CCC2CCCN2 TS46008 [0,0,0,1,0,0|2,0,1]=4 127 B14R2.101 c1ccc(cc1)NCC2=NCCN2 TS13721 [0,0,0,1,0,0|3,0,0]=4 128 B14R2.101 c1ccc(cc1)OCC2OCCO2 TS14576 [0,0,0,1,0,0|1,0,2]=4 129 B14R2.112 CCOc1ccc2ccccc2c1 TS45484 [0,0,0,1,0,0|1,0,2]=4 130 B14R2.203 c1ccc2c(c1)CNC(=O)C2CN TS46122 [0,0,0,1,0,0|3,0,0]=4 131 B14R2.598 C[C@@H]1[C@@H](OC(=N1)N)c2ccccc2 TS46137 [0,0,0,1,0,0|3,0,0]=4 132 B14R2.598 C[C@@H]1[C@@H](OC(=O)N1)c2ccccc2 TS59856 [0,0,0,1,0,0|2,0,0]=3 133 B14R2.598 C[C@H]1[C@H](OC(=O)N1)c2ccccc2 TS14028 [0,0,0,1,0,0|2,0,0]=3 134 B14R2.598 c1ccc(cc1)C2CC(=O)OC2=O TS46049 [0,0,0,1,0,0|1,0,1]=3 135 B12R1.32 C=COC(=O)Cc1ccccc1 TS11548 [0,0,0,0,1,0|0,0,2]=3 136 B12R1.32 CCCC(=O)Cc1ccccc1 TS11593 [0,0,0,0,1,0|1,0,0]=2 137 B12R1.32 CCCC(C)Cc1ccccc1 TS11628 [0,0,0,0,1,0|2,0,1]=4 138 B12R1.32 CCNC(=O)Nc1ccccc1 TS42766 [0,0,0,0,1,0|2,0,0]=3 139 B12R1.32 CCNC(=S)Nc1ccccc1 TS14654 [0,0,0,0,1,0|2,1,0]=4 140 B12R1.32 CCNC(C)Cc1ccccc1 TS11746 [0,0,0,0,1,0|2,0,1]=4 141 B12R1.32 CCOC(=O)C[n+]1ccccc1 TS19281 [0,0,0,0,1,0|1,0,0]=2 142 B12R1.32 CCOC(=O)C[n+]1ccccc1 TS27413 [0,0,0,0,1,0|1,0,0]=2 143 B12R1.32 CCOC(=O)Cc1ccccc1 TS64894 [0,0,0,0,1,0|0,0,0]=1 144 B12R1.32 CCOC(=O)Cc1ccccn1 TS08500 [0,0,0,0,1,0|1,0,0]=2 145 B12R1.32 CCOC(=O)Cc1cccnc1 TS55929 [0,0,0,0,1,0|1,0,0]=2 146 B12R1.32 CCOC(=O)Cc1ccncc1 TS01476 [0,0,0,0,1,0|1,0,0]=2 147 B12R1.32 CCOC(=O)Cc1ncccn1 TS86697 [0,0,0,0,1,0|2,0,0]=3 148 B12R1.32 CCOC(=O)Nc1ccccc1 TS42904 [0,0,0,0,1,0|1,0,0]=2 149 B12R1.32 CNCC(=O)Cc1ccccc1 TS37811 [0,0,0,0,1,0|2,0,0]=3 150 B12R1.32 c1ccc(cc1)CC(=O)CC#N TS11139 [0,0,0,0,1,0|2,0,1]=4 151 B12R1.32 c1ccc(cc1)NC(=O)CCCl TS48485 [0,0,0,0,1,0|3,0,0]=4 152 B12R1.32 c1ccc(cc1)OC(=O)CCCl TS08976 [0,0,0,0,1,0|3,0,0]=4 153 B12R1.51 CCOC(=O)C=Cc1ccco1 TS12196 [0,0,0,0,1,0|1,0,2]=4 154 B12R1.51 CCOC(=O)C=Cc1ccoc1 TS43047 [0,0,0,0,1,0|1,0,2]=4 155 B12R1.51 CCOC(=O)CCc1ccco1 TS55375 [0,0,0,0,1,0|1,0,0]=2 156 B14R1.520 CCCC(=O)OCCc1ccccc1 TS17507 [0,0,0,0,0,1|1,0,0]=2 157 B14R1.520 CCOC(=O)CCCc1ccccc1 TS17515 [0,0,0,0,0,1|0,0,0]=1 158 B14R1.520 CCOC(=O)CCNc1ccccn1 TS01590 [0,0,0,0,0,1|1,0,0]=2 159 B14R1.520 CCOC(=O)CCOc1ccccc1 TS17859 [0,0,0,0,0,1|0,0,0]=1 160 B14R1.520 CCOC(=O)CN=Cc1ccccc1 TS51296 [0,0,0,0,0,1|0,0,1]=2 161 B14R1.520 CCOC(=O)CNCc1ccccc1 TS56368 [0,0,0,0,0,1|0,0,0]=1 162 B14R1.520 CCOC(=O)CNCc1ccccn1 TS17880 [0,0,0,0,0,1|1,0,0]=2 163 B11R1.28 CC=CCCc1ccncc1 TS07375 [2,0,0,0,0,0|1,0,1]=4 164 B11R1.28 CCCC=Cc1ccccc1 TS07261 [2,0,0,0,0,0|1,0,1]=4 165 B11R1.28 CCCCCc1ccccc1 TS07508 [2,0,0,0,0,0|0,0,1]=3 166 B11R1.28 CCCCCc1ccccn1 TS07608 [2,0,0,0,0,0|1,0,1]=4 167 B11R1.28 CCCCNc1ccccc1 TS07616 [2,0,0,0,0,0|1,0,1]=4 168 B11R1.28 CCCCOc1ccccc1 TS40903 [2,0,0,0,0,0|1,0,1]=4 169 B11R1.28 CCCNCc1ccccc1 TS40768 [2,0,0,0,0,0|1,0,1]=4 170 B11R1.28 CCOC=Nc1ccccc1 TS07575 [2,0,0,0,0,0|1,0,0]=3 171 B11R1.28 CCOCCc1ccccn1 TS41030 [2,0,0,0,0,0|1,0,0]=3 172 B11R1.28 CNCCCc1ccccc1 TS07594 [2,0,0,0,0,0|1,0,1]=4 173 B11R1.28 c1ccc(cc1)CCCCBr TS08029 [2,0,0,0,0,0|1,0,1]=4 174 B11R1.28 c1ccc(cc1)CCCCN TS40769 [2,0,0,0,0,0|1,0,1]=4 175 B11R1.28 c1ccc(cc1)CCCCO TS09769 [2,0,0,0,0,0|1,0,1]=4 176 B11R1.28 c1ccc(cc1)CCOC=O TS40845 [2,0,0,0,0,0|1,0,1]=4 177 B11R1.91 B(CCc1ccccc1)(O)O TS01640 [2,0,0,0,0,0|1,0,1]=4 178 B11R1.91 CC(=C)COc1ccccc1 TS07455 [2,0,0,0,0,0|2,0,0]=4 179 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [2,0,0,0,0,0|2,0,0]=4 180 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [2,0,0,0,0,0|2,0,0]=4 181 B11R1.91 CC(=O)C#Cc1ccccc1 TS39336 [2,0,0,0,0,0|0,0,2]=4 182 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [2,0,0,0,0,0|0,0,2]=4 183 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [2,0,0,0,0,0|0,0,2]=4 184 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [2,0,0,0,0,0|0,0,0]=2 185 B11R1.91 CC(=O)COc1ccccc1 TS40853 [2,0,0,0,0,0|1,0,0]=3 186 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [2,0,0,0,0,0|1,0,0]=3 187 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [2,0,0,0,0,0|1,0,0]=3 188 B11R1.91 CC(=O)NCc1cccnc1 TS40869 [2,0,0,0,0,0|2,0,0]=4 189 B11R1.91 CC(=O)NNc1ccccc1 TS09877 [2,0,0,0,0,0|2,0,0]=4 190 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [2,0,0,0,0,0|1,0,0]=3 191 B11R1.91 CC(=O)OCc1ccccn1 TS41002 [2,0,0,0,0,0|2,0,0]=4 192 B11R1.91 CC(=O)OCc1ccncc1 TS40990 [2,0,0,0,0,0|2,0,0]=4 193 B11R1.91 CC(=O)O[Hg]c1ccccc1 TS64055 [2,0,0,0,0,0|2,0,0]=4 194 B11R1.91 CC(=O)SSc1ccccc1 TS74797 [2,0,0,0,0,0|2,0,0]=4 195 B11R1.91 CC(C)CCc1ccccc1 TS40689 [2,0,0,0,0,0|1,0,1]=4 196 B11R1.91 CC(CCc1ccccc1)N TS40782 [2,0,0,0,0,0|1,0,1]=4 197 B11R1.91 CC(CCc1ccccc1)O TS09764 [2,0,0,0,0,0|0,0,2]=4 198 B11R1.91 CN(C)CCc1ccccc1 TS01931 [2,0,0,0,0,0|2,0,0]=4 199 B11R1.91 C[C@@H](CCc1ccccc1)N TS40777 [2,0,0,0,0,0|1,0,1]=4 200 B11R1.91 C[C@H](CCc1ccccc1)N TS22961 [2,0,0,0,0,0|1,0,1]=4 201 B11R1.91 C[SiH](C)CCc1ccccc1 TS42818 [2,0,0,0,0,0|1,1,0]=4 202 B11R1.91 c1cc(cnc1)CCC(=O)O TS09416 [2,0,0,0,0,0|1,0,0]=3 203 B11R1.91 c1ccc(cc1)C#CC(=O)O TS07173 [2,0,0,0,0,0|0,0,2]=4 204 B11R1.91 c1ccc(cc1)C=CC(=O)O TS07414 [2,0,0,0,0,0|0,0,2]=4 205 B11R1.91 c1ccc(cc1)CCC(=O)Cl TS02876 [2,0,0,0,0,0|1,0,0]=3 206 B11R1.91 c1ccc(cc1)CCC(=O)N TS40758 [2,0,0,0,0,0|1,0,0]=3 207 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [2,0,0,0,0,0|0,0,0]=2 208 B11R1.91 c1ccc(cc1)CCN(=O)=O TS10013 [2,0,0,0,0,0|1,0,1]=4 209 B11R1.91 c1ccc(cc1)CNC(=O)N TS40871 [2,0,0,0,0,0|2,0,0]=4 210 B11R1.91 c1ccc(cc1)COC(=O)Cl TS01383 [2,0,0,0,0,0|2,0,0]=4 211 B11R1.91 c1ccc(cc1)COC(=O)N TS01381 [2,0,0,0,0,0|2,0,0]=4 212 B11R1.91 c1ccc(cc1)NCC(=O)O TS10023 [2,0,0,0,0,0|1,0,0]=3 213 B11R1.91 c1ccc(cc1)NCC(=O)[O-] TS50941 [2,0,0,0,0,0|1,0,1]=4 214 B11R1.91 c1ccc(cc1)OCC(=O)Cl TS12910 [2,0,0,0,0,0|2,0,0]=4 215 B11R1.91 c1ccc(cc1)OCC(=O)N TS40989 [2,0,0,0,0,0|2,0,0]=4 216 B11R1.91 c1ccc(cc1)OCC(=O)O TS10139 [2,0,0,0,0,0|1,0,0]=3 217 B11R1.91 c1ccc(cc1)OCC(=O)O TS32941 [2,0,0,0,0,0|1,0,0]=3 218 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS13444 [2,0,0,0,0,0|1,0,1]=4 219 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS51409 [2,0,0,0,0,0|1,0,1]=4 220 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS63445 [2,0,0,0,0,0|1,0,1]=4 221 B11R1.91 c1ccnc(c1)CCC(=O)O TS40994 [2,0,0,0,0,0|1,0,0]=3 222 B11R1.91 c1cnccc1SCC(=O)O TS46555 [2,0,0,0,0,0|2,0,0]=4 223 B13R1.9 CCCCCCc1ccc(cc1)Br TS32867 [1,1,0,0,0,0|1,0,1]=4 224 B13R1.9 CCCCCCc1ccc(cc1)I TS57918 [1,1,0,0,0,0|1,0,1]=4 225 B13R1.9 CCCCCCc1ccc(cc1)N TS46339 [1,1,0,0,0,0|1,0,1]=4 226 B13R1.9 CCCCCCc1ccc(cc1)O TS47609 [1,1,0,0,0,0|1,0,1]=4 227 B13R1.9 CCOCCOc1ccc(cc1)Br TS62117 [1,1,0,0,0,0|1,0,1]=4 228 B13R1.28 CCCCCCCc1ccccc1 TS13920 [1,1,0,0,0,0|1,0,1]=4 229 B13R1.28 CCNCCNCc1ccccc1 TS47619 [1,1,0,0,0,0|1,0,1]=4 230 B13R1.28 c1ccc(cc1)CCCCCCBr TS57518 [1,1,0,0,0,0|1,0,1]=4 231 B13R1.28 c1ccc(cc1)CCCCCCO TS47608 [1,1,0,0,0,0|1,0,1]=4 232 B13R1.28 c1ccc(cc1)CCNCCCCl TS25506 [1,1,0,0,0,0|2,0,0]=4 233 B13R1.28 c1ccc(cc1)CCNCCCO TS14457 [1,1,0,0,0,0|2,0,0]=4 234 B13R1.28 c1ccc(cc1)COCC=CCO TS47558 [1,1,0,0,0,0|2,0,0]=4 235 B13R1.718 CCC(=O)OCCc1ccccc1 TS47567 [1,1,0,0,0,0|2,0,0]=4 236 B13R1.11 COC(=O)CC(=O)c1ccccc1 TS39901 [1,1,0,0,0,0|0,0,1]=3 237 B13R1.11 COC(=O)CC(=O)c1cccnc1 TS47700 [1,1,0,0,0,0|1,0,1]=4 238 B13R1.11 COC(=O)CC(c1ccccc1)N TS21935 [1,1,0,0,0,0|0,0,0]=2 239 B13R1.11 COC(=O)C[C@@H](c1ccccc1)O TS47893 [1,1,0,0,0,0|0,0,0]=2 240 B13R1.11 COC(=O)C[C@@H](c1cccnc1)N TS49184 [1,1,0,0,0,0|1,0,0]=3 241 B13R1.11 COC(=O)C[C@H](c1ccccc1)O TS14616 [1,1,0,0,0,0|0,0,0]=2 242 B13R1.11 C[C@H](CC(=O)OC)c1ccccc1 TS47550 [1,1,0,0,0,0|0,0,0]=2 243 B13R1.14 COC(=O)C=Cc1ccc(cc1)Br TS26644 [1,1,0,0,0,0|0,0,2]=4 244 B13R1.14 COC(=O)C=Cc1ccc(cc1)Cl TS53771 [1,1,0,0,0,0|0,0,2]=4 245 B13R1.14 COC(=O)C=Cc1ccc(cc1)F TS14570 [1,1,0,0,0,0|0,0,2]=4 246 B13R1.14 COC(=O)C=Cc1ccc(cc1)O TS02308 [1,1,0,0,0,0|0,0,2]=4 247 B13R1.14 COC(=O)CCc1ccc(cc1)Br TS57818 [1,1,0,0,0,0|0,0,0]=2 248 B13R1.14 COC(=O)CCc1ccc(cc1)O TS08561 [1,1,0,0,0,0|0,0,0]=2 249 B13R1.14 Cc1ccc(cc1)C=CC(=O)OC TS13847 [1,1,0,0,0,0|0,0,2]=4 250 B13R1.14 c1cc(ccc1CCC(=O)NN)O TS14622 [1,1,0,0,0,0|2,0,0]=4 251 B13R1.14 c1cc(ccc1CNC(=O)CCl)Cl TS22321 [1,1,0,0,0,0|2,0,0]=4 252 B13R1.15 COC(=O)CCc1cccc(c1)O TS14613 [1,1,0,0,0,0|0,0,0]=2 253 B13R1.135 COC(=O)C(=C)Cc1ccccc1 TS46105 [1,1,0,0,0,0|0,0,1]=3 254 B13R1.135 COC(=O)C(Cc1ccccc1)N TS44744 [1,1,0,0,0,0|0,0,0]=2 255 B13R1.135 COC(=O)C(Cc1ccccc1)O TS14600 [1,1,0,0,0,0|0,0,0]=2 256 B13R1.135 COC(=O)[C@@H](Cc1ccccc1)N TS44743 [1,1,0,0,0,0|0,0,0]=2 257 B13R1.135 COC(=O)[C@@H](Cc1cccnc1)N TS28433 [1,1,0,0,0,0|1,0,0]=3 258 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N TS21934 [1,1,0,0,0,0|0,0,0]=2 259 B13R1.135 COC(=O)[C@H](Cc1ccccc1)O TS47920 [1,1,0,0,0,0|0,0,0]=2 260 B13R1.135 c1ccc(cc1)C[C@@H](C(=O)CCl)N TS56421 [1,1,0,0,0,0|1,0,0]=3 261 B13R1.135 c1ccc(cc1)C[C@@H](C(=O)NN)N TS47760 [1,1,0,0,0,0|2,0,0]=4 262 B13R1.254 CCC(C)(CCc1ccccc1)O TS14279 [1,1,0,0,0,0|0,0,2]=4 263 B13R1.351 CC(=C)C(=O)NCc1ccccc1 TS45980 [1,1,0,0,0,0|1,0,1]=4 264 B13R1.351 CC(=C)C(=O)OCc1ccccc1 TS13863 [1,1,0,0,0,0|1,0,1]=4 265 B13R1.351 CC(C(=O)OCc1ccccc1)O TS47922 [1,1,0,0,0,0|1,0,0]=3 266 B13R1.351 CC(C(=O)O[Hg]c1ccccc1)O TS66679 [1,1,0,0,0,0|2,0,0]=4 267 B13R1.351 CC(C)C(=O)OCc1ccccc1 TS47553 [1,1,0,0,0,0|1,0,0]=3 268 B13R1.351 CC(C)C(=O)O[SiH2]c1ccccc1 TS51905 [1,1,0,0,0,0|1,1,0]=4 269 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)N TS02075 [1,1,0,0,0,0|1,0,0]=3 270 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)N TS21929 [1,1,0,0,0,0|1,0,0]=3 271 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)O TS47888 [1,1,0,0,0,0|1,0,0]=3 272 B13R1.351 C[C@H](C(=O)OCc1ccccc1)N TS79079 [1,1,0,0,0,0|1,0,0]=3 273 B13R1.351 C[C@H](C(=O)OCc1ccccc1)O TS47910 [1,1,0,0,0,0|1,0,0]=3 274 B13R1.351 c1ccc(cc1)CCC(=O)C(=O)O TS47515 [1,1,0,0,0,0|1,0,1]=4 275 B13R1.351 c1ccc(cc1)COC(=O)C(F)Cl TS38346 [1,1,0,0,0,0|2,0,0]=4 276 B13R1.528 COC(=O)C=Cc1ccccc1O TS14175 [1,1,0,0,0,0|0,0,2]=4 277 B13R1.528 COC(=O)CCc1ccccc1Br TS57813 [1,1,0,0,0,0|0,0,0]=2 278 B13R1.528 COC(=O)CCc1ccccc1O TS47905 [1,1,0,0,0,0|0,0,0]=2 279 B13R1.528 Cc1ccccc1CNC(=O)CCl TS18525 [1,1,0,0,0,0|2,0,0]=4 280 B13R1.19 CCCC(=O)Nc1ccc(cc1)Br TS26795 [0,1,0,0,1,0|2,0,0]=4 281 B13R1.19 CCCC(=O)Nc1ccc(cc1)O TS14423 [0,1,0,0,1,0|2,0,0]=4 282 B13R1.19 CCOC(=O)Cc1ccc(cc1)Br TS16551 [0,1,0,0,1,0|0,0,0]=2 283 B13R1.19 CCOC(=O)Cc1ccc(cc1)C TS14229 [0,1,0,0,1,0|0,0,0]=2 284 B13R1.19 CCOC(=O)Cc1ccc(cc1)I TS58066 [0,1,0,0,1,0|0,0,0]=2 285 B13R1.19 CCOC(=O)Cc1ccc(cc1)N TS14435 [0,1,0,0,1,0|0,0,0]=2 286 B13R1.19 CCOC(=O)Cc1ccc(cc1)O TS14597 [0,1,0,0,1,0|0,0,0]=2 287 B13R1.19 CCOC(=O)Cc1ccc(cn1)Br TS91232 [0,1,0,0,1,0|1,0,0]=3 288 B13R1.19 CCOC(=O)Cc1ccc(cn1)I TS92521 [0,1,0,0,1,0|1,0,0]=3 289 B13R1.19 CCOC(=O)Cc1ccc(cn1)N TS91947 [0,1,0,0,1,0|1,0,0]=3 290 B13R1.19 CCOC(=O)Cc1ccc(cn1)O TS86487 [0,1,0,0,1,0|1,0,0]=3 291 B13R1.19 CCOC(=O)Cc1ccc(nc1)C TS14400 [0,1,0,0,1,0|1,0,0]=3 292 B13R1.19 CCOC(=O)Cc1ccc(nc1)Cl TS37807 [0,1,0,0,1,0|1,0,0]=3 293 B13R1.19 CCOC(=O)Cc1ccc(nn1)Cl TS91636 [0,1,0,0,1,0|2,0,0]=4 294 B13R1.19 CCOC(=O)Cc1ncc(cn1)Br TS08045 [0,1,0,0,1,0|2,0,0]=4 295 B13R1.19 CCOC(=O)Nc1ccc(cc1)Cl TS18890 [0,1,0,0,1,0|1,0,0]=3 296 B13R1.20 CCOC(=O)Cc1cc(cnc1)F TS87157 [0,1,0,0,1,0|1,0,0]=3 297 B13R1.20 CCOC(=O)Cc1cc(ncn1)C TS89863 [0,1,0,0,1,0|2,0,0]=4 298 B13R1.20 CCOC(=O)Cc1cccc(n1)C TS14404 [0,1,0,0,1,0|1,0,0]=3 299 B13R1.20 CCOC(=O)Cc1cccc(n1)N TS85309 [0,1,0,0,1,0|1,0,0]=3 300 B13R1.20 CCOC(=O)Nc1cccc(c1)Cl TS37805 [0,1,0,0,1,0|1,0,0]=3 301 B13R1.20 CCOC(=O)Nc1cccc(c1)O TS77131 [0,1,0,0,1,0|1,0,0]=3 302 B13R1.20 CCOC(=O)Oc1cccc(c1)C TS47887 [0,1,0,0,1,0|1,0,0]=3 303 B13R1.47 CCOC(=O)C(=C)c1ccccc1 TS65635 [0,1,0,0,1,0|0,0,1]=3 304 B13R1.47 CCOC(=O)C(=O)c1ccccc1 TS14174 [0,1,0,0,1,0|0,0,1]=3 305 B13R1.47 CCOC(=O)C(=O)c1ccccn1 TS89931 [0,1,0,0,1,0|1,0,1]=4 306 B13R1.47 CCOC(=O)C(C)c1ccccc1 TS08729 [0,1,0,0,1,0|0,0,0]=2 307 B13R1.47 CCOC(=O)C(c1ccccc1)Cl TS54131 [0,1,0,0,1,0|0,0,0]=2 308 B13R1.47 CCOC(=O)C(c1ccccc1)N TS21936 [0,1,0,0,1,0|0,0,0]=2 309 B13R1.47 CCOC(=O)C(c1ccccc1)O TS47901 [0,1,0,0,1,0|0,0,0]=2 310 B13R1.47 CCOC(=O)C(c1ccccn1)N TS86207 [0,1,0,0,1,0|1,0,0]=3 311 B13R1.47 CCOC(=O)N(C)c1ccccc1 TS14437 [0,1,0,0,1,0|1,0,0]=3 312 B13R1.47 CCOC(=O)[C@@H](C)c1ccccc1 TS47564 [0,1,0,0,1,0|0,0,0]=2 313 B13R1.47 CCOC(=O)[C@@H](c1ccccc1)N TS14401 [0,1,0,0,1,0|0,0,0]=2 314 B13R1.47 CCOC(=O)[C@@H](c1ccccc1)N TS21933 [0,1,0,0,1,0|0,0,0]=2 315 B13R1.47 CCOC(=O)[C@H](c1ccccc1)N TS21932 [0,1,0,0,1,0|0,0,0]=2 316 B13R1.47 CCOC(=O)[C@H](c1ccccc1)O TS14593 [0,1,0,0,1,0|0,0,0]=2 317 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 TS13848 [0,1,0,0,1,0|1,0,1]=4 318 B13R1.348 CC(C)CC(=O)Cc1ccccc1 TS13901 [0,1,0,0,1,0|1,0,0]=3 319 B13R1.348 CC(C)CC(=O)Nc1ccccc1 TS14060 [0,1,0,0,1,0|2,0,0]=4 320 B13R1.348 CC(C)CC(=O)Nc1ccccc1 TS14072 [0,1,0,0,1,0|2,0,0]=4 321 B13R1.348 CC(C)OC(=O)Nc1ccccc1 TS47726 [0,1,0,0,1,0|1,0,0]=3 322 B13R1.470 CCOC(=O)Cc1ccccc1C TS14238 [0,1,0,0,1,0|0,0,0]=2 323 B13R1.470 CCOC(=O)Cc1ccccc1N TS14440 [0,1,0,0,1,0|0,0,0]=2 324 B13R1.470 CCOC(=O)Cc1ccccc1N TS21942 [0,1,0,0,1,0|0,0,0]=2 325 B13R1.470 CCOC(=O)Cc1cccnc1Cl TS89774 [0,1,0,0,1,0|1,0,0]=3 326 B13R1.470 CCOC(=O)Cc1cncnc1Cl TS19112 [0,1,0,0,1,0|2,0,0]=4 327 B13R1.470 CCOC(=O)Cc1cncnc1O TS48242 [0,1,0,0,1,0|2,0,0]=4 328 B13R1.470 CCOC(=O)Nc1c(cccn1)O TS48241 [0,1,0,0,1,0|2,0,0]=4 329 B13R1.470 CCOC(=O)Nc1ccccc1C TS14394 [0,1,0,0,1,0|1,0,0]=3 330 B13R1.1327 CCO[Si](C)(C)Cc1ccccc1 TS51920 [0,1,0,0,1,0|1,1,0]=4 331 B13R1.33 CCOC(=O)CC(=O)c1cc[nH]c1 TS14761 [0,1,0,0,1,0|1,0,1]=4 332 B13R1.33 CCOC(=O)CC(=O)c1ccc[nH]1 TS48082 [0,1,0,0,1,0|1,0,1]=4 333 B13R1.33 CCOC(=O)CC(=O)c1ccco1 TS14924 [0,1,0,0,1,0|1,0,1]=4 334 B13R1.33 CCOC(=O)CC(=O)c1cccs1 TS54034 [0,1,0,0,1,0|1,0,1]=4 335 B13R1.33 CCOC(=O)CC(=O)c1ccoc1 TS55927 [0,1,0,0,1,0|1,0,1]=4 336 B13R1.33 CCOC(=O)CC(=O)c1ccsc1 TS55928 [0,1,0,0,1,0|1,0,1]=4 337 B13R1.66 CCOC(=O)C(Cc1cnc[nH]1)N TS15146 [0,1,0,0,1,0|2,0,0]=4 338 B13R1.66 CCOC(=O)[C@H](Cc1c[nH]cn1)N TS67813 [0,1,0,0,1,0|2,0,0]=4 339 B15R1.11 CCNC(=O)NCCc1ccc(cc1)O TS43507 [0,1,0,0,0,1|1,0,0]=3 340 B15R1.11 CCOC(=O)CCSc1ccc(cc1)Cl TS27245 [0,1,0,0,0,1|0,0,0]=2 341 B15R1.11 CCOC(=O)CCSc1ccc(cc1)F TS24540 [0,1,0,0,0,1|0,0,0]=2 342 B15R1.11 CCOC(=O)NCCc1ccc(cc1)O TS20753 [0,1,0,0,0,1|0,0,0]=2 343 B15R1.89 CCCC(=O)OCC(C)c1ccccc1 TS20212 [0,1,0,0,0,1|1,0,0]=3 344 B15R1.89 CCOC(=O)C=CC(=O)c1ccccc1 TS59774 [0,1,0,0,0,1|0,0,2]=4 345 B15R1.89 CCOC(=O)CCC(=O)c1ccccc1 TS38992 [0,1,0,0,0,1|0,0,0]=2 346 B15R1.89 CCOC(=O)CNC(=O)c1ccccc1 TS39178 [0,1,0,0,0,1|0,0,1]=3 347 B15R1.157 CCCCC(=O)OCCc1ccccc1 TS20218 [0,1,0,0,0,1|1,0,0]=3 348 B15R1.633 CCOC(=O)CCCc1cccc(c1)O TS85100 [0,1,0,0,0,1|0,0,0]=2 349 B15R1.809 CCOC(=O)C=C(C)Nc1ccccc1 TS02874 [0,1,0,0,0,1|0,0,2]=4 350 B15R1.809 CCOC(=O)CC(=O)Cc1ccccc1 TS16746 [0,1,0,0,0,1|0,0,0]=2 351 B15R1.826 CCOC(=O)C(=NNc1ccccc1)Br TS30914 [0,1,0,0,0,1|1,0,1]=4 352 B15R1.826 CCOC(=O)C(=NNc1ccccc1)Cl TS24289 [0,1,0,0,0,1|1,0,1]=4 353 B15R1.826 CCOC(=O)C(=NNc1ccccc1)N TS20372 [0,1,0,0,0,1|1,0,1]=4 354 B15R1.826 CCOC(=O)C(=O)CCc1ccccc1 TS08474 [0,1,0,0,0,1|0,0,0]=2 355 B15R1.826 CCOC(=O)C(C)NCc1ccccc1 TS65207 [0,1,0,0,0,1|0,0,0]=2 356 B15R1.826 CCOC(=O)C(C)OCc1ccccc1 TS20572 [0,1,0,0,0,1|0,0,0]=2 357 B15R1.826 CCOC(=O)C(CCc1ccccc1)Br TS30926 [0,1,0,0,0,1|0,0,0]=2 358 B15R1.826 CCOC(=O)[C@@H](CCc1ccccc1)N TS27066 [0,1,0,0,0,1|0,0,0]=2 359 B15R1.826 CCOC(=O)[C@@H](CCc1ccccc1)O TS08478 [0,1,0,0,0,1|0,0,0]=2 360 B15R1.826 CCOC(=O)[C@H](CCc1ccccc1)N TS09196 [0,1,0,0,0,1|0,0,0]=2 361 B15R1.826 CCOC(=O)[C@H](CCc1ccccc1)O TS59765 [0,1,0,0,0,1|0,0,0]=2 362 B15R1.1252 CCOC(=O)CCCc1ccccc1O TS85099 [0,1,0,0,0,1|0,0,0]=2 363 B15R1.1321 CC=C(C)C(=O)OCCc1ccccc1 TS19786 [0,1,0,0,0,1|1,0,1]=4 364 B15R1.1321 CCC(C)C(=O)OCCc1ccccc1 TS20221 [0,1,0,0,0,1|1,0,0]=3 365 B15R1.9084 CC(C)CC(=O)OCCc1ccccc1 TS20225 [0,1,0,0,0,1|1,0,0]=3 366 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)Br TS09059 [0,2,0,0,0,0|0,0,1]=3 367 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)C TS39007 [0,2,0,0,0,0|0,0,1]=3 368 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)Cl TS09425 [0,2,0,0,0,0|0,0,1]=3 369 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)F TS08502 [0,2,0,0,0,0|0,0,1]=3 370 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)I TS76937 [0,2,0,0,0,0|0,0,1]=3 371 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)Br TS74099 [0,2,0,0,0,0|0,0,1]=3 372 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)C TS39003 [0,2,0,0,0,0|0,0,1]=3 373 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)Cl TS08475 [0,2,0,0,0,0|0,0,1]=3 374 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)F TS08501 [0,2,0,0,0,0|0,0,1]=3 375 B15R1.578 CCOC(=O)C(C(=O)c1ccccc1)Br TS32813 [0,2,0,0,0,0|0,0,1]=3 376 B15R1.578 CCOC(=O)C(C(=O)c1ccccc1)F TS20895 [0,2,0,0,0,0|0,0,1]=3 377 B15R1.578 CCOC(=O)C(C(=O)c1cccnc1)N TS20548 [0,2,0,0,0,0|1,0,1]=4 378 B15R1.578 CCOC(=O)C(C(c1ccccc1)Br)Br TS64004 [0,2,0,0,0,0|0,0,0]=2 379 B15R1.578 CCOC(=O)C(C)C(=O)c1ccccc1 TS74498 [0,2,0,0,0,0|0,0,1]=3 380 B15R1.807 CCOC(=O)CS(=O)(=O)c1ccccc1 TS52663 [0,2,0,0,0,0|1,0,0]=3 381 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1Br TS74097 [0,2,0,0,0,0|0,0,1]=3 382 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1C TS20156 [0,2,0,0,0,0|0,0,1]=3 383 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1Cl TS74493 [0,2,0,0,0,0|0,0,1]=3 384 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1F TS65675 [0,2,0,0,0,0|0,0,1]=3 385 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1I TS76936 [0,2,0,0,0,0|0,0,1]=3 386 B15R1.10389 CCOC(=O)CCc1cccc(c1)C#N TS38457 [0,2,0,0,0,0|0,0,0]=2 387 B15R1.10389 CCOC(=O)CCc1cccc(c1)C=O TS20163 [0,2,0,0,0,0|0,0,0]=2 388 B15R1.10389 CCOC(=O)CCc1cccc(c1)CN TS43308 [0,2,0,0,0,0|0,0,0]=2 389 B15R1.10389 CCOC(=O)COc1cccc(c1)C=O TS20524 [0,2,0,0,0,0|1,0,0]=3 390 B15R1.10389 CCOC(=O)COc1cccc(c1)OC TS43798 [0,2,0,0,0,0|1,0,0]=3 391 B15R1.10390 CCOC(=O)C=Cc1ccc(c(c1)O)O TS20521 [0,2,0,0,0,0|0,0,2]=4 392 B15R1.10390 CCOC(=O)CCc1ccc(c(c1)O)O TS20905 [0,2,0,0,0,0|0,0,0]=2 393 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)Cl TS52559 [0,2,0,0,0,0|1,0,1]=4 394 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)F TS43974 [0,2,0,0,0,0|1,0,1]=4 395 B15R1.48 CCOC(=O)C(Cc1ccc(cc1)Cl)N TS30005 [0,2,0,0,0,0|0,0,0]=2 396 B15R1.48 CCOC(=O)[C@@H](C)Oc1ccc(cc1)O TS43790 [0,2,0,0,0,0|1,0,0]=3 397 B15R1.48 CCOC(=O)[C@@H](Cc1ccc(cc1)O)N TS62215 [0,2,0,0,0,0|0,0,0]=2 398 B15R1.48 CCOC(=O)[C@H](Cc1ccc(cc1)O)N TS59784 [0,2,0,0,0,0|0,0,0]=2 399 B15R1.48 CCOC(=O)[C@H](Cc1ccc(cc1)O)N TS62216 [0,2,0,0,0,0|0,0,0]=2 400 B15R1.551 C=CCOC(=O)[C@H](Cc1ccccc1)N TS80260 [0,2,0,0,0,0|0,0,1]=3 401 B15R1.640 CCCC(=O)C(CC)Cc1ccccc1 TS19822 [0,2,0,0,0,0|1,0,0]=3 402 B15R1.640 CCOC(=O)C(=Cc1ccccc1)C#N TS74497 [0,2,0,0,0,0|0,0,2]=4 403 B15R1.78 c1ccc(cc1)COC(=O)CCCCN TS80335 [0,2,0,0,0,0|2,0,0]=4 404 B15R1.78 c1ccc(cc1)COC(=O)NCCC=O TS02608 [0,2,0,0,0,0|2,0,0]=4 405 B15R1.78 c1ccc(cc1)COC(=O)NCCCO TS43642 [0,2,0,0,0,0|2,0,0]=4 406 B15R1.78 c1ccc(cc1)COC(=O)NCCON TS43809 [0,2,0,0,0,0|2,0,0]=4 407 B15R1.741 C[C@@H](CO)NC(=O)OCc1ccccc1 TS33132 [0,2,0,0,0,0|2,0,0]=4 408 B15R1.741 C[C@H](CO)NC(=O)OCc1ccccc1 TS43631 [0,2,0,0,0,0|2,0,0]=4 409 B15R1.5919 CC(=O)CCC(=O)OCc1ccccc1 TS20173 [0,2,0,0,0,0|2,0,0]=4 410 B15R1.5919 CC(C)COC(=O)C=Cc1ccccc1 TS19789 [0,2,0,0,0,0|0,0,2]=4 411 B15R1.5919 CC(C)COC(=O)COc1ccccc1 TS43473 [0,2,0,0,0,0|1,0,0]=3 412 B15R1.791 CCOC(=O)COc1ccc(cc1C)Cl TS52752 [0,2,0,0,0,0|1,0,0]=3 413 B15R1.791 CCOC(=O)COc1ccc(cc1Cl)Cl TS62671 [0,2,0,0,0,0|1,0,0]=3 414 B15R1.791 CCSC(=O)COc1ccc(cc1C)Cl TS27246 [0,2,0,0,0,0|1,1,0]=4 415 B15R1.793 CCOC(=O)C=Cc1ccc(cc1)C=O TS19743 [0,2,0,0,0,0|0,0,2]=4 416 B15R1.793 CCOC(=O)C=Cc1ccc(cc1)CBr TS74500 [0,2,0,0,0,0|0,0,2]=4 417 B15R1.793 CCOC(=O)C=Cc1ccc(cc1)OC TS20154 [0,2,0,0,0,0|0,0,2]=4 418 B15R1.793 CCOC(=O)CCc1ccc(cc1)C#N TS38458 [0,2,0,0,0,0|0,0,0]=2 419 B15R1.793 CCOC(=O)CCc1ccc(cc1)C=O TS39004 [0,2,0,0,0,0|0,0,0]=2 420 B15R1.793 CCOC(=O)CCc1ccc(cc1)CN TS43325 [0,2,0,0,0,0|0,0,0]=2 421 B15R1.793 CCOC(=O)COc1ccc(cc1)C#N TS38794 [0,2,0,0,0,0|1,0,0]=3 422 B15R1.793 CCOC(=O)COc1ccc(cc1)OC TS20906 [0,2,0,0,0,0|1,0,0]=3 423 B15R1.768 CCOC(=O)C=Cc1ccccc1C=O TS19741 [0,2,0,0,0,0|0,0,2]=4 424 B15R1.768 CCOC(=O)CCc1ccccc1C=O TS20164 [0,2,0,0,0,0|0,0,0]=2 425 B15R1.768 CCOC(=O)COc1ccccc1C=O TS43430 [0,2,0,0,0,0|1,0,0]=3 426 B15R1.768 CCOC(=O)COc1ccccc1OC TS20914 [0,2,0,0,0,0|1,0,0]=3 427 B15R1.3866 CCOC(=O)CC[C@@H]1C=CC=CC1(C)O TS43480 [0,2,0,0,0,0|0,0,2]=4 428 B15R1.3866 CCOC(=O)CC[C@H]1C=CC=CC1(C)O TS20577 [0,2,0,0,0,0|0,0,2]=4 429 B15R1.3678 CC(C)[C@@H](C(=O)OCc1ccccc1)N TS27069 [0,2,0,0,0,0|2,0,0]=4 430 B15R1.3678 CC(C)[C@@H](C(=O)OCc1ccccc1)N TS80334 [0,2,0,0,0,0|2,0,0]=4 431 B15R1.3678 CC(C)[C@H](C(=O)OCc1ccccc1)N TS80336 [0,2,0,0,0,0|2,0,0]=4 432 B15R1.3678 C[C@H]([C@@H](C(=O)OCc1ccccc1)N)O TS83331 [0,2,0,0,0,0|2,0,0]=4 433 B15R1.3465 CC(C)(C)OC(=O)NNc1ccccc1 TS20587 [0,2,0,0,0,0|2,0,0]=4 434 B13R1.464 CCOC(=O)c1ccccc1C=C TS46117 [0,0,1,1,0,0|0,0,2]=4 435 B13R2.3 c1ccc(cc1)C2CCC=CC2 TS41963 [1,0,0,1,0,0|1,0,0]=3 436 B13R2.3 c1ccc(cc1)C2CCCCC2 TS01405 [1,0,0,1,0,0|1,0,1]=4 437 B13R2.3 c1ccc(cc1)C2CCCNC2 TS22825 [1,0,0,1,0,0|2,0,0]=4 438 B13R2.3 c1ccc(cc1)C2CCOCO2 TS11863 [1,0,0,1,0,0|1,0,1]=4 439 B13R2.3 c1ccc(cc1)N2CCOCC2 TS60070 [1,0,0,1,0,0|1,0,1]=4 440 B13R2.3 c1ccc(cc1)[C@@H]2CCCNC2 TS42346 [1,0,0,1,0,0|2,0,0]=4 441 B13R2.3 c1ccc(cc1)[C@@H]2CCOCO2 TS11865 [1,0,0,1,0,0|1,0,1]=4 442 B13R2.3 c1ccc(cc1)[C@H]2CCCNC2 TS11441 [1,0,0,1,0,0|2,0,0]=4 443 B13R2.64 c1ccc(cc1)CC2CCCN2 TS42354 [1,0,0,1,0,0|2,0,0]=4 444 B13R2.64 c1ccc(cc1)CN2CCOC2 TS11731 [1,0,0,1,0,0|1,0,1]=4 445 B13R2.1613 CCN1CCCc2c1cccc2 TS77175 [1,0,0,1,0,0|1,0,1]=4 446 B13R2.1613 c1ccc2c(c1)CCC=C2CCl TS47648 [1,0,0,1,0,0|2,0,0]=4 447 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 TS09765 [1,0,0,1,0,0|1,0,0]=3 448 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 TS42185 [1,0,0,1,0,0|0,0,0]=2 449 B13R2.10 c1ccc(cc1)C2CCC(=O)O2 TS42441 [1,0,0,1,0,0|1,0,0]=3 450 B13R2.10 c1ccc(cc1)C2CNC(=O)O2 TS11695 [1,0,0,1,0,0|2,0,0]=4 451 B13R2.10 c1ccc(cc1)C2COC(=O)N2 TS42555 [1,0,0,1,0,0|1,0,0]=3 452 B13R2.10 c1ccc(cc1)N2CCC(=O)N2 TS11562 [1,0,0,1,0,0|2,0,0]=4 453 B13R2.10 c1ccc(cc1)[C@@H]2COC(=O)N2 TS00304 [1,0,0,1,0,0|1,0,0]=3 454 B13R2.10 c1ccc(cc1)[C@@H]2COC(=S)N2 TS47770 [1,0,0,1,0,0|1,1,0]=4 455 B13R2.10 c1ccc(cc1)[C@H]2COC(=O)N2 TS32849 [1,0,0,1,0,0|1,0,0]=3 456 B13R2.10 c1ccc(cc1)[C@H]2COC(=S)N2 TS60184 [1,0,0,1,0,0|1,1,0]=4 457 B13R2.32 CC1c2ccccc2CCC1=O TS42189 [1,0,0,1,0,0|0,0,0]=2 458 B13R2.32 CN1c2ccccc2OCC1=O TS42566 [1,0,0,1,0,0|2,0,0]=4 459 B13R2.33 c1ccc2c(c1)CNC(=O)CN2 TS11566 [1,0,0,1,0,0|2,0,0]=4 460 B13R2.57 CCC1CCc2ccccc2C1 TS42212 [1,0,0,1,0,0|1,0,1]=4 461 B13R2.373 c1ccc(cc1)[C@H]2[C@H](C(=O)N2)O TS42560 [1,0,0,1,0,0|2,0,0]=4 462 B13R2.26 CCCC1=Cc2ccccc2C1 TS41950 [0,0,0,1,1,0|2,0,0]=4 463 B13R2.163 c1ccc2c(c1)CCCC(=O)N2 TS00354 [0,0,0,1,1,0|2,0,0]=4 464 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O TS11500 [0,0,0,1,1,0|1,0,1]=4 465 B15R2.31 c1ccc(cc1)CC2CC(=O)CCN2 TS39264 [0,0,0,1,0,1|2,0,0]=4 466 B15R2.31 c1ccc(cc1)CN2CCCC(=O)C2 TS56366 [0,0,0,1,0,1|1,0,0]=3 467 B15R2.73 CCOC(=O)c1c2ccccc2[nH]n1 TS55897 [0,0,0,1,0,1|1,0,1]=4 468 B15R2.73 CCOC(=O)c1c[nH]c2c1cccc2 TS09191 [0,0,0,1,0,1|0,0,2]=4 469 B15R2.73 c1ccc2c(c1)CCN2C(=O)CCCl TS20814 [0,0,0,1,0,1|2,0,0]=4 470 B15R2.325 c1ccc(cc1)CC2CC(=O)OC2=O TS51076 [0,0,0,1,0,1|1,0,1]=4 471 B15R2.325 c1ccc(cc1)C[C@H]2C(=O)OC(=O)N2 TS17274 [0,0,0,1,0,1|1,0,1]=4 472 B15R2.389 CC1CC(=O)CCN1c2ccccc2 TS50960 [0,0,0,1,0,1|1,0,0]=3 473 B15R2.389 c1ccc(cc1)C2CCC(=O)OC2=O TS17056 [0,0,0,1,0,1|1,0,1]=4 474 B15R2.1342 CCOC(=O)C1C(O1)c2ccccc2 TS17471 [0,0,0,1,0,1|0,0,0]=2 475 B15R2.1342 CCOC(=O)C1CC1c2ccccc2 TS17103 [0,0,0,1,0,1|0,0,0]=2 476 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1c2ccccc2 TS17104 [0,0,0,1,0,1|0,0,0]=2 477 B15R2.2196 c1ccc(cc1)CCCC2CCCO2 TS51152 [0,0,0,1,0,1|1,0,1]=4 478 B15R2.2196 c1ccc(cc1)CNCC2CCCO2 TS17343 [0,0,0,1,0,1|1,0,1]=4 479 B15R2.38 c1ccc(cc1)CC2CCCCC2=O TS50777 [0,1,0,1,0,0|1,0,0]=3 480 B15R2.38 c1ccc(cc1)CN2CCC=CC2=O TS39226 [0,1,0,1,0,0|2,0,0]=4 481 B15R2.38 c1ccc(cc1)CN2CCNCC2=O TS51140 [0,1,0,1,0,0|2,0,0]=4 482 B15R2.1356 CCOC(=O)N1Cc2cccnc2C1 TS94458 [0,1,0,1,0,0|2,0,0]=4 483 B15R2.1356 CCOC(=O)[C@@H]1Cc2ccccc2N1 TS17307 [0,1,0,1,0,0|0,0,0]=2 484 B15R2.1356 CCOC(=O)c1[nH]c2ccccc2n1 TS17069 [0,1,0,1,0,0|1,0,1]=4 485 B15R2.1356 CCOC(=O)c1cc2ccccc2[nH]1 TS56152 [0,1,0,1,0,0|0,0,2]=4 486 B15R2.1356 CCOC(=O)c1cc2ccccc2o1 TS08962 [0,1,0,1,0,0|0,0,2]=4 487 B15R2.1356 CCOC(=O)c1nc2ccccc2s1 TS39201 [0,1,0,1,0,0|1,0,1]=4 488 B15R2.309 C[C@H]1[C@@H](SC(=O)N1)c2ccc(cc2)Cl TS24432 [0,1,0,1,0,0|2,0,0]=4 489 B15R2.321 C[C@H]1[C@H](NC(=O)N1C)c2ccccc2 TS51131 [0,1,0,1,0,0|2,0,0]=4 490 B15R2.327 CC1([C@@H](NC(=O)O1)c2ccccc2)C TS59870 [0,1,0,1,0,0|1,0,0]=3 491 B15R2.327 CC1([C@H](NC(=O)O1)c2ccccc2)C TS17299 [0,1,0,1,0,0|1,0,0]=3 492 B11R1.25 CCC(=O)OCc1ccco1 TS41356 [1,0,0,0,1,0|2,0,0]=4 493 B11R1.25 COC(=O)CCc1cccs1 TS45152 [1,0,0,0,1,0|1,0,0]=3 494 B11R1.40 CCC(=Cc1ccccc1)C TS07268 [1,0,0,0,1,0|1,0,1]=4 495 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [1,0,0,0,1,0|0,0,0]=2 496 B11R1.40 CCC(=O)Nc1ccccc1 TS29506 [1,0,0,0,1,0|1,0,0]=3 497 B11R1.40 CCC(C)Cc1ccccc1 TS40686 [1,0,0,0,1,0|1,0,1]=4 498 B11R1.40 CCC(Cc1ccccc1)O TS00513 [1,0,0,0,1,0|0,0,2]=4 499 B11R1.40 CNC(=O)Nc1ccccc1 TS09898 [1,0,0,0,1,0|2,0,0]=4 500 B11R1.40 COC(=O)Cc1ccccc1 TS00242 [1,0,0,0,1,0|0,0,0]=2 501 B11R1.40 COC(=O)Cc1ccccn1 TS39400 [1,0,0,0,1,0|1,0,0]=3 502 B11R1.40 COC(=O)Cc1cccnc1 TS90627 [1,0,0,0,1,0|1,0,0]=3 503 B11R1.40 COC(=O)Cc1cccnn1 TS85573 [1,0,0,0,1,0|2,0,0]=4 504 B11R1.40 COC(=O)Cc1ccncc1 TS10039 [1,0,0,0,1,0|1,0,0]=3 505 B11R1.40 COC(=O)Cc1ccncn1 TS88322 [1,0,0,0,1,0|2,0,0]=4 506 B11R1.40 COC(=O)Cc1ccnnc1 TS90137 [1,0,0,0,1,0|2,0,0]=4 507 B11R1.40 COC(=O)Cc1cnccn1 TS88028 [1,0,0,0,1,0|2,0,0]=4 508 B11R1.40 COC(=O)Nc1ccccc1 TS41003 [1,0,0,0,1,0|1,0,0]=3 509 B11R1.40 c1ccc(cc1)CC(=O)CCl TS44955 [1,0,0,0,1,0|1,0,0]=3 510 B11R1.40 c1ccc(cc1)CC(=O)NN TS09901 [1,0,0,0,1,0|2,0,0]=4 511 B11R1.40 c1ccc(cc1)CC(=O)NO TS10040 [1,0,0,0,1,0|2,0,0]=4 512 B11R1.40 c1ccc(cc1)NC(=O)CCl TS12724 [1,0,0,0,1,0|2,0,0]=4 513 B11R1.40 c1ccc(cc1)NC(=O)CS TS12417 [1,0,0,0,1,0|2,0,0]=4 514 B11R1.40 c1ccc(cc1)OC(=O)CBr TS44644 [1,0,0,0,1,0|2,0,0]=4 515 B11R1.40 c1ccc(cc1)OC(=O)CCl TS12932 [1,0,0,0,1,0|2,0,0]=4 516 B11R1.16 C=COC(=O)c1ccccc1 TS07417 [0,0,0,0,2,0|0,0,2]=4 517 B11R1.16 CC=CC(=O)c1ccccc1 TS07230 [0,0,0,0,2,0|1,0,1]=4 518 B11R1.16 CCC=C(C)c1ccccc1 TS07266 [0,0,0,0,2,0|2,0,0]=4 519 B11R1.16 CCCC(=C)c1ccccc1 TS40460 [0,0,0,0,2,0|2,0,0]=4 520 B11R1.16 CCCC(=O)c1ccccc1 TS40658 [0,0,0,0,2,0|1,0,0]=3 521 B11R1.16 CCCC(=O)c1ccccn1 TS07574 [0,0,0,0,2,0|2,0,0]=4 522 B11R1.16 CCNC(=O)c1ccccc1 TS07570 [0,0,0,0,2,0|1,0,0]=3 523 B11R1.16 CCNC(=O)c1cccnc1 TS40872 [0,0,0,0,2,0|2,0,0]=4 524 B11R1.16 CCOC(=N)c1ccccc1 TS39808 [0,0,0,0,2,0|1,0,0]=3 525 B11R1.16 CCOC(=O)c1ccccc1 TS40849 [0,0,0,0,2,0|0,0,0]=2 526 B11R1.16 CCOC(=O)c1ccccn1 TS08499 [0,0,0,0,2,0|1,0,0]=3 527 B11R1.16 CCOC(=O)c1cccnc1 TS41007 [0,0,0,0,2,0|1,0,0]=3 528 B11R1.16 CCOC(=O)c1ccncc1 TS01460 [0,0,0,0,2,0|1,0,0]=3 529 B11R1.16 CCOC(=O)c1ccncn1 TS55949 [0,0,0,0,2,0|2,0,0]=4 530 B11R1.16 CCOC(=O)c1cnccn1 TS41125 [0,0,0,0,2,0|2,0,0]=4 531 B11R1.16 CNCC(=O)c1ccccc1 TS15529 [0,0,0,0,2,0|2,0,0]=4 532 B11R1.16 COCC(=O)c1ccccc1 TS09863 [0,0,0,0,2,0|2,0,0]=4 533 B11R1.16 c1ccc(cc1)C(=O)CCCl TS12618 [0,0,0,0,2,0|2,0,0]=4 534 B11R1.16 c1ccc(cc1)C(=O)NCO TS41014 [0,0,0,0,2,0|2,0,0]=4 535 B11R1.16 c1ccc(cc1)C(=O)OCCl TS12930 [0,0,0,0,2,0|1,0,0]=3 536 B11R1.16 c1ccc(cc1)C(=O)SCO TS44889 [0,0,0,0,2,0|1,1,0]=4 537 B11R1.30 CCOC(=O)Cc1ccc[nH]1 TS87512 [0,0,0,0,2,0|1,0,0]=3 538 B11R1.30 CCOC(=O)Cc1cccs1 TS12824 [0,0,0,0,2,0|1,0,0]=3 539 B11R1.30 CCOC(=O)Cc1ccsc1 TS12827 [0,0,0,0,2,0|1,0,0]=3 540 B11R1.30 CCOC(=O)Cn1cccn1 TS33044 [0,0,0,0,2,0|2,0,0]=4 541 B11R1.30 CCOC(=O)Cn1ccnc1 TS41366 [0,0,0,0,2,0|2,0,0]=4 542 B11R1.30 CCOC(=O)Nc1cccs1 TS13018 [0,0,0,0,2,0|2,0,0]=4 543 B15R1.778 CCCC(=O)OCC=Cc1ccccc1 TS19781 [0,0,0,0,0,2|1,0,1]=4 544 B15R1.778 CCCC(=O)OCCCc1ccccc1 TS20222 [0,0,0,0,0,2|1,0,0]=3 545 B15R1.778 CCOC(=O)CCCOc1ccccc1 TS20578 [0,0,0,0,0,2|0,0,0]=2