0 B13R1.718 C=CC(=O)OCCc1ccccc1 TS46114 [0,0,0,0,0,0|0,0,2]=2 1 B13R1.718 CCC(=O)OCCc1ccccc1 TS47567 [0,0,0,0,0,0|0,0,0]=0 2 B13R1.718 CC[C@H](COCc1ccccc1)N TS14450 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.718 CC[C@H](COCc1ccccc1)O TS14645 [0,0,0,0,0,0|2,0,2]=4 4 B13R1.718 COC(=O)CCCc1ccccc1 TS47562 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.718 COC(=O)CCNc1ccccc1 TS47749 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.718 COC(=O)CCNc1ccccn1 TS47935 [0,0,0,0,0,0|4,0,0]=4 7 B13R1.718 COC(=O)CCOc1ccccc1 TS08579 [0,0,0,0,0,0|3,0,0]=3 8 B13R1.718 COC(=O)CNCc1ccccc1 TS21937 [0,0,0,0,0,0|3,0,0]=3 9 B13R1.718 COC(=O)CSCc1cccnc1 TS18474 [0,0,0,0,0,0|4,0,0]=4 10 B13R1.718 CSC(=S)NCCc1ccccc1 TS21179 [0,0,0,0,0,0|2,1,0]=3 11 B13R1.718 c1ccc(cc1)CCNC(=O)CCl TS18517 [0,0,0,0,0,0|2,0,0]=2 12 B13R1.718 c1ccc(cc1)CCNC(=S)NN TS18122 [0,0,0,0,0,0|3,1,0]=4 13 B13R1.718 c1ccc(cc1)CCOC(=O)CCl TS54126 [0,0,0,0,0,0|1,0,0]=1 14 B12R1.8 C=CCOCCc1ccccc1 TS11590 [1,0,0,0,0,0|0,0,3]=4 15 B12R1.8 CC#CCCCc1ccccc1 TS41962 [1,0,0,0,0,0|1,0,2]=4 16 B12R1.8 CC=CCCCc1ccccc1 TS42215 [1,0,0,0,0,0|1,0,1]=3 17 B12R1.8 CCCCCC[n+]1ccccc1 TS37828 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.8 CCCCCCc1ccccc1 TS11621 [1,0,0,0,0,0|1,0,1]=3 19 B12R1.8 CCCCCCc1ccccn1 TS42629 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.8 CCCCCCc1cccnc1 TS11745 [1,0,0,0,0,0|2,0,1]=4 21 B12R1.8 CCCCCNc1ccccc1 TS42630 [1,0,0,0,0,0|2,0,1]=4 22 B12R1.8 CCCCOCc1ccccc1 TS42802 [1,0,0,0,0,0|2,0,1]=4 23 B12R1.8 CCCNCCc1ccccn1 TS11944 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.8 CCCOCCc1ccccn1 TS42951 [1,0,0,0,0,0|1,0,1]=3 25 B12R1.8 c1ccc(cc1)CCCCCBr TS24328 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.8 c1ccc(cc1)CCCCCN TS11750 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.8 c1ccc(cc1)CCOCC=O TS42741 [1,0,0,0,0,0|1,0,2]=4 28 B12R1.252 CC(=O)C=NNc1ccccc1 TS11572 [1,0,0,0,0,0|3,0,0]=4 29 B12R1.252 CC(=O)CSCc1ccccc1 TS14651 [1,0,0,0,0,0|2,0,0]=3 30 B12R1.252 CC(=O)NCCc1ccccc1 TS42602 [1,0,0,0,0,0|1,0,0]=2 31 B12R1.252 CC(=O)OCCc1ccccc1 TS11854 [1,0,0,0,0,0|0,0,0]=1 32 B12R1.252 CC(CCCc1ccccc1)F TS12271 [1,0,0,0,0,0|2,0,1]=4 33 B12R1.252 c1ccc(cc1)CCCC(=O)Cl TS48364 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.252 c1ccc(cc1)COCC(=O)Cl TS55761 [1,0,0,0,0,0|3,0,0]=4 35 B12R1.252 c1ccc(cc1)COCC(=O)O TS09024 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.252 c1ccc(cc1)CONC(=O)N TS09026 [1,0,0,0,0,0|3,0,0]=4 37 B12R1.252 c1ccc(cc1)CSCC(=O)N TS14831 [1,0,0,0,0,0|3,0,0]=4 38 B12R1.252 c1ccc(cc1)CSCC(=O)O TS15003 [1,0,0,0,0,0|3,0,0]=4 39 B12R1.252 c1ccc(cc1)NCCC(=O)N TS11897 [1,0,0,0,0,0|3,0,0]=4 40 B12R1.252 c1ccc(cc1)NCCC(=O)O TS42898 [1,0,0,0,0,0|3,0,0]=4 41 B12R1.252 c1ccc(cc1)OCCC(=O)O TS43043 [1,0,0,0,0,0|3,0,0]=4 42 B12R1.252 c1ccc(cc1)SCCC(=O)O TS15008 [1,0,0,0,0,0|3,0,0]=4 43 B12R1.252 c1cnccc1CCCC(=O)O TS38168 [1,0,0,0,0,0|3,0,0]=4 44 B14R1.13 CCC(=O)NCCc1ccc(cc1)O TS27063 [0,1,0,0,0,0|1,0,0]=2 45 B14R1.13 COC(=O)CCCc1ccc(cc1)N TS51663 [0,1,0,0,0,0|2,0,0]=3 46 B14R1.163 COC(=O)CCC(=O)c1ccccc1 TS51464 [0,1,0,0,0,0|2,0,1]=4 47 B14R1.520 CCCC(=O)OCCc1ccccc1 TS17507 [0,1,0,0,0,0|0,0,0]=1 48 B14R1.520 CCOC(=O)CCCc1ccccc1 TS17515 [0,1,0,0,0,0|1,0,0]=2 49 B14R1.520 CCOC(=O)CCNc1ccccn1 TS01590 [0,1,0,0,0,0|3,0,0]=4 50 B14R1.520 CCOC(=O)CCOc1ccccc1 TS17859 [0,1,0,0,0,0|2,0,0]=3 51 B14R1.520 CCOC(=O)CN=Cc1ccccc1 TS51296 [0,1,0,0,0,0|2,0,1]=4 52 B14R1.520 CCOC(=O)CNCc1ccccc1 TS56368 [0,1,0,0,0,0|2,0,0]=3 53 B14R1.520 CCOC(=O)CNCc1ccccn1 TS17880 [0,1,0,0,0,0|3,0,0]=4 54 B14R1.743 COC(=O)CC(=O)Cc1ccccc1 TS22889 [0,1,0,0,0,0|2,0,1]=4 55 B14R1.756 C[C@@H](C(=O)OC)NCc1ccccc1 TS00224 [0,1,0,0,0,0|3,0,0]=4 56 B14R1.756 C[C@H](C(=O)OC)NCc1ccccc1 TS24794 [0,1,0,0,0,0|3,0,0]=4 57 B14R1.6449 CC(=C)C(=O)OCCc1ccccc1 TS51126 [0,1,0,0,0,0|0,0,1]=2 58 B14R1.6449 CC(C)C(=O)OCCc1ccccc1 TS17512 [0,1,0,0,0,0|0,0,0]=1 59 B14R2.19 c1ccc(cc1)CN2CCC(=O)C2 TS87965 [0,0,0,1,0,0|2,0,0]=3 60 B14R2.19 c1ccc(cc1)C[C@@H]2COC(=S)N2 TS51691 [0,0,0,1,0,0|2,1,0]=4 61 B14R2.19 c1ccc(cc1)C[C@@H]2CSC(=S)N2 TS20783 [0,0,0,1,0,0|2,1,0]=4 62 B14R2.19 c1ccc(cc1)C[C@H]2COC(=O)N2 TS94228 [0,0,0,1,0,0|2,0,0]=3 63 B14R2.19 c1ccc(cc1)C[C@H]2COC(=S)N2 TS51695 [0,0,0,1,0,0|2,1,0]=4 64 B14R2.19 c1ccc(cc1)C[C@H]2CSC(=O)N2 TS51694 [0,0,0,1,0,0|2,0,0]=3 65 B14R2.19 c1ccc(cc1)C[C@H]2CSC(=S)N2 TS32848 [0,0,0,1,0,0|2,1,0]=4 66 B14R2.68 c1ccc(cc1)C2CCC(=O)CC2 TS13540 [0,0,0,1,0,0|1,0,0]=2 67 B14R2.68 c1ccc(cc1)C2CCC(CC2)N TS09770 [0,0,0,1,0,0|2,0,1]=4 68 B14R2.68 c1ccc(cc1)N2CCC(=O)CC2 TS45988 [0,0,0,1,0,0|2,0,0]=3 69 B14R2.68 c1ccc(cc1)[C@@H]2COC(=O)CN2 TS14025 [0,0,0,1,0,0|1,0,0]=2 70 B14R2.68 c1ccc(cc1)[C@H]2COC(=O)CN2 TS14026 [0,0,0,1,0,0|1,0,0]=2 71 B14R2.68 c1cnccc1N2CCC(=O)CC2 TS46134 [0,0,0,1,0,0|3,0,0]=4 72 B14R2.95 CCC(=O)c1c[nH]c2c1cccc2 TS45645 [0,0,0,1,0,0|2,0,1]=4 73 B14R2.95 COC(=O)N1CCc2c1cccc2 TS14027 [0,0,0,1,0,0|2,0,0]=3 74 B14R2.95 c1ccc2c(c1)CCN2C(=O)CCl TS53565 [0,0,0,1,0,0|2,0,0]=3 75 B14R2.279 c1ccc2c(c1)CCNC(=O)C2N TS46124 [0,0,0,1,0,0|2,0,0]=3 76 B12R1.27 C=CC(=O)NCc1ccccc1 TS42309 [0,0,0,0,1,0|1,0,2]=4 77 B12R1.27 C=CC(=O)OCc1ccccc1 TS01378 [0,0,0,0,1,0|0,0,2]=3 78 B12R1.27 CCC(=O)CCc1ccccc1 TS08927 [0,0,0,0,1,0|0,0,0]=1 79 B12R1.27 CCC(=O)NNc1ccccc1 TS42777 [0,0,0,0,1,0|2,0,0]=3 80 B12R1.27 CCC(=O)OCc1ccccc1 TS42731 [0,0,0,0,1,0|0,0,0]=1 81 B12R1.27 CNC(=S)NCc1ccccc1 TS14661 [0,0,0,0,1,0|2,1,0]=4 82 B12R1.27 COC(=O)C#Cc1ccccc1 TS42134 [0,0,0,0,1,0|1,0,2]=4 83 B12R1.27 COC(=O)C=Cc1ccccc1 TS42433 [0,0,0,0,1,0|1,0,2]=4 84 B12R1.27 COC(=O)CCc1ccccc1 TS08580 [0,0,0,0,1,0|1,0,0]=2 85 B12R1.27 COC(=O)CCc1ccncc1 TS12012 [0,0,0,0,1,0|2,0,0]=3 86 B12R1.27 COC(=O)COc1ccccc1 TS12178 [0,0,0,0,1,0|2,0,0]=3 87 B12R1.27 COC(=O)CSc1ccccc1 TS15002 [0,0,0,0,1,0|2,0,0]=3 88 B12R1.27 CSC(=S)NCc1ccccc1 TS18500 [0,0,0,0,1,0|2,1,0]=4 89 B12R1.27 c1cc(cnc1)CCC(=O)NN TS12042 [0,0,0,0,1,0|3,0,0]=4 90 B12R1.27 c1ccc(cc1)CCC(=O)NN TS42773 [0,0,0,0,1,0|2,0,0]=3 91 B12R1.27 c1ccc(cc1)CCC(=O)NO TS42907 [0,0,0,0,1,0|2,0,0]=3 92 B12R1.27 c1ccc(cc1)CNC(=O)CBr TS24462 [0,0,0,0,1,0|2,0,0]=3 93 B12R1.27 c1ccc(cc1)CNC(=O)CCl TS48489 [0,0,0,0,1,0|2,0,0]=3 94 B12R1.27 c1ccc(cc1)COC(=O)CBr TS59636 [0,0,0,0,1,0|1,0,0]=2 95 B12R1.27 c1ccc(cc1)COC(=O)CCl TS48661 [0,0,0,0,1,0|1,0,0]=2 96 B12R1.27 c1ccc(cc1)COC(=O)CN TS01384 [0,0,0,0,1,0|1,0,0]=2 97 B12R1.27 c1ccc(cc1)COC(=O)CN TS42888 [0,0,0,0,1,0|1,0,0]=2 98 B12R1.27 c1ccc(cc1)COC(=O)CN TS78338 [0,0,0,0,1,0|1,0,0]=2 99 B12R1.27 c1ccc(cc1)COC(=O)CO TS12174 [0,0,0,0,1,0|1,0,0]=2 100 B12R1.27 c1ccc(cc1)COC(=O)CS TS15006 [0,0,0,0,1,0|1,0,0]=2 101 B12R1.27 c1ccc(cc1)COC(=O)NN TS01382 [0,0,0,0,1,0|2,0,0]=3 102 B12R1.27 c1ccc(cc1)COC(=O)NN TS38352 [0,0,0,0,1,0|2,0,0]=3 103 B12R1.27 c1ccc(cc1)COC(=O)NO TS43211 [0,0,0,0,1,0|2,0,0]=3 104 B12R1.27 c1ccc(cc1)OCC(=O)OBr TS53117 [0,0,0,0,1,0|3,0,0]=4 105 B14R1.716 C=CC(=O)OCCSc1ccccc1 TS20618 [0,0,0,0,0,1|0,0,2]=3 106 B14R1.716 CCC(=O)OCC=Cc1ccccc1 TS17120 [0,0,0,0,0,1|0,0,1]=2 107 B14R1.716 CCC(=O)OCCCc1ccccc1 TS17519 [0,0,0,0,0,1|0,0,0]=1 108 B14R1.716 CCC(=O)OCCOc1ccccc1 TS51831 [0,0,0,0,0,1|0,0,0]=1 109 B14R1.716 COC(=O)CCCCc1ccccc1 TS51497 [0,0,0,0,0,1|2,0,0]=3 110 B14R1.716 COC(=O)CCNCc1ccccc1 TS51661 [0,0,0,0,0,1|2,0,0]=3 111 B11R1.28 CC=CCCc1ccncc1 TS07375 [2,0,0,0,0,0|1,0,1]=4 112 B11R1.28 CCCCCc1ccccc1 TS07508 [2,0,0,0,0,0|0,0,1]=3 113 B11R1.28 CCCCCc1ccccn1 TS07608 [2,0,0,0,0,0|1,0,1]=4 114 B11R1.28 CCCCNc1ccccc1 TS07616 [2,0,0,0,0,0|1,0,1]=4 115 B11R1.28 CCCCOc1ccccc1 TS40903 [2,0,0,0,0,0|1,0,1]=4 116 B11R1.28 CCCNCc1ccccc1 TS40768 [2,0,0,0,0,0|1,0,1]=4 117 B11R1.28 CCOC=Nc1ccccc1 TS07575 [2,0,0,0,0,0|1,0,1]=4 118 B11R1.28 CCOCCc1ccccn1 TS41030 [2,0,0,0,0,0|1,0,0]=3 119 B11R1.28 CNCCCc1ccccc1 TS07594 [2,0,0,0,0,0|1,0,1]=4 120 B11R1.28 c1ccc(cc1)CCCCBr TS08029 [2,0,0,0,0,0|1,0,1]=4 121 B11R1.28 c1ccc(cc1)CCCCN TS40769 [2,0,0,0,0,0|1,0,1]=4 122 B11R1.28 c1ccc(cc1)CCCCO TS09769 [2,0,0,0,0,0|1,0,1]=4 123 B11R1.28 c1ccc(cc1)CCN=C=O TS07337 [2,0,0,0,0,0|1,0,1]=4 124 B11R1.28 c1ccc(cc1)CCOC=O TS40845 [2,0,0,0,0,0|0,0,0]=2 125 B11R1.28 c1ccc(cc1)COCC=O TS40846 [2,0,0,0,0,0|2,0,0]=4 126 B11R1.28 c1ccc(cc1)COCCBr TS01375 [2,0,0,0,0,0|1,0,1]=4 127 B11R1.28 c1ccc(cc1)COCCCl TS45252 [2,0,0,0,0,0|1,0,1]=4 128 B11R1.28 c1ccc(cc1)COCCN TS50637 [2,0,0,0,0,0|1,0,1]=4 129 B11R1.28 c1ccc(cc1)COCCO TS59944 [2,0,0,0,0,0|1,0,1]=4 130 B13R1.9 CCCCCCc1ccc(cc1)Br TS32867 [1,1,0,0,0,0|1,0,1]=4 131 B13R1.9 CCCCCCc1ccc(cc1)I TS57918 [1,1,0,0,0,0|1,0,1]=4 132 B13R1.9 CCCCCCc1ccc(cc1)N TS46339 [1,1,0,0,0,0|1,0,1]=4 133 B13R1.9 CCCCCCc1ccc(cc1)O TS47609 [1,1,0,0,0,0|1,0,1]=4 134 B13R1.28 CCCCCCCc1ccccc1 TS13920 [1,1,0,0,0,0|1,0,1]=4 135 B13R1.28 CCNCCNCc1ccccc1 TS47619 [1,1,0,0,0,0|2,0,0]=4 136 B13R1.28 c1ccc(cc1)CCCCCCBr TS57518 [1,1,0,0,0,0|1,0,1]=4 137 B13R1.28 c1ccc(cc1)CCCCCCO TS47608 [1,1,0,0,0,0|1,0,1]=4 138 B13R1.28 c1ccc(cc1)CCNCCCCl TS25506 [1,1,0,0,0,0|1,0,1]=4 139 B13R1.28 c1ccc(cc1)CCNCCCO TS14457 [1,1,0,0,0,0|1,0,1]=4 140 B13R1.28 c1ccc(cc1)COCC=CCO TS47558 [1,1,0,0,0,0|2,0,0]=4 141 B13R1.42 CCCC(=O)CCc1ccccc1 TS46164 [1,1,0,0,0,0|1,0,1]=4 142 B13R1.42 CCOC(=O)CCc1ccccc1 TS14228 [1,1,0,0,0,0|2,0,0]=4 143 B13R1.44 CCCOC(=O)Cc1ccccc1 TS14219 [1,1,0,0,0,0|0,0,2]=4 144 B13R1.45 CC(=O)CCC(=O)c1ccccc1 TS13844 [1,1,0,0,0,0|1,0,1]=4 145 B13R1.45 CC(=O)OCC(=O)c1ccccc1 TS47341 [1,1,0,0,0,0|0,0,1]=3 146 B13R1.45 CC(=O)OCC(=O)c1ccccc1 TS47511 [1,1,0,0,0,0|0,0,1]=3 147 B13R1.149 Cc1cccc(c1)CCC=C(C)C TS13559 [1,1,0,0,0,0|2,0,0]=4 148 B13R1.149 c1cc(cc(c1)Br)CCCC(=O)O TS26965 [1,1,0,0,0,0|2,0,0]=4 149 B13R1.149 c1cc(cc(c1)Cl)CCCC(=O)O TS54134 [1,1,0,0,0,0|2,0,0]=4 150 B13R1.149 c1cc(cc(c1)N)CCCC(=O)O TS16873 [1,1,0,0,0,0|2,0,0]=4 151 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 TS13848 [1,1,0,0,0,0|1,0,1]=4 152 B13R1.348 CC(Cc1ccccc1)OC(=O)C TS47556 [1,1,0,0,0,0|0,0,0]=2 153 B13R1.348 c1ccc(cc1)C[C@@H](CC(=O)O)N TS21944 [1,1,0,0,0,0|2,0,0]=4 154 B13R1.348 c1ccc(cc1)C[C@H](CC(=O)O)N TS08080 [1,1,0,0,0,0|2,0,0]=4 155 B13R1.351 c1ccc(cc1)CCC(=O)C(=O)O TS47515 [1,1,0,0,0,0|2,0,0]=4 156 B13R1.351 c1ccc(cc1)CCC(C(=O)O)N TS14422 [1,1,0,0,0,0|2,0,0]=4 157 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)N TS94379 [1,1,0,0,0,0|2,0,0]=4 158 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)O TS08123 [1,1,0,0,0,0|2,0,0]=4 159 B13R1.351 c1ccc(cc1)CC[C@H](C(=O)O)O TS08071 [1,1,0,0,0,0|2,0,0]=4 160 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl TS18518 [1,1,0,0,0,0|1,0,0]=3 161 B13R1.513 CC(=O)NCCc1ccc(cc1)O TS14428 [1,1,0,0,0,0|1,0,0]=3 162 B13R1.513 Cc1ccc(cc1)CCCC(=O)O TS14231 [1,1,0,0,0,0|2,0,0]=4 163 B13R1.513 c1cc(ccc1CCCC(=O)O)Br TS26969 [1,1,0,0,0,0|2,0,0]=4 164 B13R1.513 c1cc(ccc1CCCC(=O)O)F TS09533 [1,1,0,0,0,0|2,0,0]=4 165 B13R1.513 c1cc(ccc1CCCC(=O)O)I TS58067 [1,1,0,0,0,0|2,0,0]=4 166 B13R1.513 c1cc(ccc1CCCC(=O)O)N TS70752 [1,1,0,0,0,0|2,0,0]=4 167 B13R1.513 c1cc(ccc1CCCC(=O)O)O TS14581 [1,1,0,0,0,0|2,0,0]=4 168 B13R1.3523 CS(=O)(=O)OCCc1ccccn1 TS38122 [1,1,0,0,0,0|2,0,0]=4 169 B13R1.11 COC(=O)CC(=O)c1ccccc1 TS39901 [0,1,0,0,1,0|1,0,1]=4 170 B13R1.11 COC(=O)CC(c1ccccc1)N TS21935 [0,1,0,0,1,0|1,0,0]=3 171 B13R1.11 COC(=O)C[C@@H](c1ccccc1)O TS47893 [0,1,0,0,1,0|1,0,0]=3 172 B13R1.11 COC(=O)C[C@@H](c1cccnc1)N TS49184 [0,1,0,0,1,0|2,0,0]=4 173 B13R1.11 COC(=O)C[C@H](c1ccccc1)O TS14616 [0,1,0,0,1,0|1,0,0]=3 174 B13R1.11 C[C@H](CC(=O)OC)c1ccccc1 TS47550 [0,1,0,0,1,0|1,0,0]=3 175 B13R1.14 COC(=O)CCc1ccc(cc1)Br TS57818 [0,1,0,0,1,0|1,0,0]=3 176 B13R1.14 COC(=O)CCc1ccc(cc1)O TS08561 [0,1,0,0,1,0|1,0,0]=3 177 B13R1.14 c1cc(ccc1CCC(=O)NN)O TS14622 [0,1,0,0,1,0|2,0,0]=4 178 B13R1.14 c1cc(ccc1CNC(=O)CCl)Cl TS22321 [0,1,0,0,1,0|2,0,0]=4 179 B13R1.15 COC(=O)CCc1cccc(c1)O TS14613 [0,1,0,0,1,0|1,0,0]=3 180 B13R1.135 COC(=O)C(=C)Cc1ccccc1 TS46105 [0,1,0,0,1,0|1,0,1]=4 181 B13R1.135 COC(=O)C(Cc1ccccc1)N TS44744 [0,1,0,0,1,0|1,0,0]=3 182 B13R1.135 COC(=O)C(Cc1ccccc1)O TS14600 [0,1,0,0,1,0|1,0,0]=3 183 B13R1.135 COC(=O)[C@@H](Cc1ccccc1)N TS44743 [0,1,0,0,1,0|1,0,0]=3 184 B13R1.135 COC(=O)[C@@H](Cc1cccnc1)N TS28433 [0,1,0,0,1,0|2,0,0]=4 185 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N TS21934 [0,1,0,0,1,0|1,0,0]=3 186 B13R1.135 COC(=O)[C@H](Cc1ccccc1)O TS47920 [0,1,0,0,1,0|1,0,0]=3 187 B13R1.135 c1ccc(cc1)C[C@@H](C(=O)CCl)N TS56421 [0,1,0,0,1,0|1,0,0]=3 188 B13R1.135 c1ccc(cc1)C[C@@H](C(=O)NN)N TS47760 [0,1,0,0,1,0|2,0,0]=4 189 B13R1.254 CCC(C)(CCc1ccccc1)O TS14279 [0,1,0,0,1,0|0,0,2]=4 190 B13R1.417 c1ccc(cc1)CO[C@@H](CO)C=O TS14595 [0,1,0,0,1,0|1,0,1]=4 191 B13R1.528 COC(=O)CCc1ccccc1Br TS57813 [0,1,0,0,1,0|1,0,0]=3 192 B13R1.528 COC(=O)CCc1ccccc1O TS47905 [0,1,0,0,1,0|1,0,0]=3 193 B13R1.528 Cc1ccccc1CNC(=O)CCl TS18525 [0,1,0,0,1,0|2,0,0]=4 194 B13R1.599 CCC(=O)OCCc1c(ncs1)C TS18857 [0,1,0,0,1,0|2,0,0]=4 195 B15R1.26 C=CC(=O)OCCOc1ccc(cc1)Cl TS24284 [0,1,0,0,0,1|0,0,2]=4 196 B15R1.26 CCC(=O)NCCSc1ccc(cc1)O TS52195 [0,1,0,0,0,1|1,0,0]=3 197 B15R1.778 CCCC(=O)OCC=Cc1ccccc1 TS19781 [0,1,0,0,0,1|0,0,1]=3 198 B15R1.778 CCCC(=O)OCCCc1ccccc1 TS20222 [0,1,0,0,0,1|0,0,0]=2 199 B15R1.778 CCOC(=O)CCCOc1ccccc1 TS20578 [0,1,0,0,0,1|1,0,0]=3 200 B15R1.959 CC(c1ccccc1)NCCC(=O)OC TS43307 [0,1,0,0,0,1|2,0,0]=4 201 B15R1.959 COC(=O)CCCC(=O)c1ccccc1 TS20166 [0,1,0,0,0,1|2,0,0]=4 202 B15R1.964 COC(=O)C=CC(Cc1ccccc1)N TS19996 [0,1,0,0,0,1|2,0,0]=4 203 B15R1.1321 CC(CNCc1ccccc1)C(=O)OC TS20399 [0,1,0,0,0,1|2,0,0]=4 204 B15R1.1321 CC=C(C)C(=O)OCCc1ccccc1 TS19786 [0,1,0,0,0,1|1,0,1]=4 205 B15R1.1321 CCC(C)C(=O)OCCc1ccccc1 TS20221 [0,1,0,0,0,1|1,0,1]=4 206 B15R1.1321 COC(=O)[C@H](COCc1ccccc1)N TS62219 [0,1,0,0,0,1|2,0,0]=4 207 B15R1.1321 COC(=O)[C@H](COCc1ccccc1)O TS43796 [0,1,0,0,0,1|2,0,0]=4 208 B15R1.1321 COC(=O)[C@H](CSCc1ccccc1)N TS68547 [0,1,0,0,0,1|2,0,0]=4 209 B15R1.3664 CC(=C)C(=O)OCC=Cc1ccccc1 TS19399 [0,1,0,0,0,1|0,0,2]=4 210 B15R1.3664 CC(=C)C(=O)OCCCc1ccccc1 TS38639 [0,1,0,0,0,1|0,0,1]=3 211 B15R1.3664 CC(C)C(=O)OCC=Cc1ccccc1 TS38638 [0,1,0,0,0,1|0,0,1]=3 212 B15R1.3664 CC(C)C(=O)OCCCc1ccccc1 TS20223 [0,1,0,0,0,1|0,0,0]=2 213 B15R1.3664 CC(C)C(=O)OCCOc1ccccc1 TS20582 [0,1,0,0,0,1|0,0,0]=2 214 B15R1.11 CCNC(=O)NCCc1ccc(cc1)O TS43507 [0,2,0,0,0,0|1,0,0]=3 215 B15R1.11 CCOC(=O)CCSc1ccc(cc1)Cl TS27245 [0,2,0,0,0,0|2,0,0]=4 216 B15R1.11 CCOC(=O)CCSc1ccc(cc1)F TS24540 [0,2,0,0,0,0|2,0,0]=4 217 B15R1.11 CCOC(=O)NCCc1ccc(cc1)O TS20753 [0,2,0,0,0,0|1,0,0]=3 218 B15R1.89 CCCC(=O)OCC(C)c1ccccc1 TS20212 [0,2,0,0,0,0|0,0,0]=2 219 B15R1.89 CCOC(=O)CCC(=O)c1ccccc1 TS38992 [0,2,0,0,0,0|1,0,1]=4 220 B15R1.500 CC(C)C(=O)OCC(C)c1ccccc1 TS39038 [0,2,0,0,0,0|0,0,0]=2 221 B15R1.157 CCCCC(=O)OCCc1ccccc1 TS20218 [0,2,0,0,0,0|0,0,0]=2 222 B15R1.633 CCOC(=O)CCCc1cccc(c1)O TS85100 [0,2,0,0,0,0|1,0,0]=3 223 B15R1.809 CCOC(=O)CC(=O)Cc1ccccc1 TS16746 [0,2,0,0,0,0|1,0,1]=4 224 B15R1.826 CCOC(=O)C(=O)CCc1ccccc1 TS08474 [0,2,0,0,0,0|1,0,0]=3 225 B15R1.826 CCOC(=O)C(C)NCc1ccccc1 TS65207 [0,2,0,0,0,0|2,0,0]=4 226 B15R1.826 CCOC(=O)C(C)OCc1ccccc1 TS20572 [0,2,0,0,0,0|2,0,0]=4 227 B15R1.826 CCOC(=O)C(CCc1ccccc1)Br TS30926 [0,2,0,0,0,0|1,0,0]=3 228 B15R1.826 CCOC(=O)[C@@H](CCc1ccccc1)N TS27066 [0,2,0,0,0,0|1,0,0]=3 229 B15R1.826 CCOC(=O)[C@@H](CCc1ccccc1)O TS08478 [0,2,0,0,0,0|1,0,0]=3 230 B15R1.826 CCOC(=O)[C@H](CCc1ccccc1)N TS09196 [0,2,0,0,0,0|1,0,0]=3 231 B15R1.826 CCOC(=O)[C@H](CCc1ccccc1)O TS59765 [0,2,0,0,0,0|1,0,0]=3 232 B15R1.1252 CCOC(=O)CCCc1ccccc1O TS85099 [0,2,0,0,0,0|1,0,0]=3 233 B15R1.9084 CC(C)CC(=O)OCCc1ccccc1 TS20225 [0,2,0,0,0,0|0,0,0]=2 234 B15R1.11663 CCC(=O)OC(C)(C)Cc1ccccc1 TS20219 [0,2,0,0,0,0|0,0,0]=2 235 B15R1.9095 CC(C)(C)C(=O)NNCc1ccccc1 TS39050 [0,2,0,0,0,0|2,0,0]=4 236 B15R1.9095 CC(C)(C)C(=O)OCCc1ccccc1 TS39044 [0,2,0,0,0,0|0,0,0]=2 237 B13R2.3 c1ccc(cc1)C2CCC=CC2 TS41963 [1,0,0,1,0,0|1,0,0]=3 238 B13R2.3 c1ccc(cc1)C2CCCCC2 TS01405 [1,0,0,1,0,0|1,0,1]=4 239 B13R2.3 c1ccc(cc1)C2CCCNC2 TS22825 [1,0,0,1,0,0|1,0,1]=4 240 B13R2.3 c1ccc(cc1)[C@@H]2CCCNC2 TS42346 [1,0,0,1,0,0|1,0,1]=4 241 B13R2.3 c1ccc(cc1)[C@H]2CCCNC2 TS11441 [1,0,0,1,0,0|1,0,1]=4 242 B13R2.64 c1ccc(cc1)CC2CCCN2 TS42354 [1,0,0,1,0,0|1,0,1]=4 243 B13R2.64 c1ccc(cc1)CC2OCCO2 TS11891 [1,0,0,1,0,0|1,0,1]=4 244 B13R2.1613 CCN1CCCc2c1cccc2 TS77175 [1,0,0,1,0,0|2,0,0]=4 245 B13R2.1613 c1ccc2c(c1)CCC=C2CCl TS47648 [1,0,0,1,0,0|2,0,0]=4 246 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 TS09765 [1,0,0,1,0,0|1,0,0]=3 247 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 TS42185 [1,0,0,1,0,0|1,0,0]=3 248 B13R2.10 c1ccc(cc1)C2CCC(=O)O2 TS42441 [1,0,0,1,0,0|2,0,0]=4 249 B13R2.10 c1ccc(cc1)C2CNC(=O)O2 TS11695 [1,0,0,1,0,0|2,0,0]=4 250 B13R2.10 c1ccc(cc1)C2COC(=O)N2 TS42555 [1,0,0,1,0,0|1,0,0]=3 251 B13R2.10 c1ccc(cc1)[C@@H]2COC(=O)N2 TS00304 [1,0,0,1,0,0|1,0,0]=3 252 B13R2.10 c1ccc(cc1)[C@@H]2COC(=S)N2 TS47770 [1,0,0,1,0,0|1,1,0]=4 253 B13R2.10 c1ccc(cc1)[C@H]2COC(=O)N2 TS32849 [1,0,0,1,0,0|1,0,0]=3 254 B13R2.10 c1ccc(cc1)[C@H]2COC(=S)N2 TS60184 [1,0,0,1,0,0|1,1,0]=4 255 B13R2.72 CC(=O)N1CCc2c1cccc2 TS42311 [1,0,0,1,0,0|1,0,0]=3 256 B13R2.163 c1ccc2c(c1)CCCC(=O)N2 TS00354 [1,0,0,1,0,0|2,0,0]=4 257 B13R2.423 c1ccc(cc1)[C@@H]2C[C@H]2C(=O)Cl TS48004 [1,0,0,1,0,0|2,0,0]=4 258 B13R2.423 c1ccc(cc1)[C@@H]2C[C@H]2C(=O)O TS85468 [1,0,0,1,0,0|2,0,0]=4 259 B13R2.32 CC1c2ccccc2CCC1=O TS42189 [0,0,0,1,1,0|0,0,0]=2 260 B13R2.32 CN1c2ccccc2OCC1=O TS42566 [0,0,0,1,1,0|2,0,0]=4 261 B13R2.33 c1ccc2c(c1)CNC(=O)CN2 TS11566 [0,0,0,1,1,0|2,0,0]=4 262 B13R2.57 CCC1CCc2ccccc2C1 TS42212 [0,0,0,1,1,0|1,0,1]=4 263 B13R2.373 c1ccc(cc1)[C@H]2[C@H](C(=O)N2)O TS42560 [0,0,0,1,1,0|2,0,0]=4 264 B15R2.29 c1ccc(cc1)CN2CCC(=O)CC2 TS08187 [0,0,0,1,0,1|1,0,0]=3 265 B15R2.29 c1ccc(cc1)CN2CCC(=O)CC2 TS22749 [0,0,0,1,0,1|1,0,0]=3 266 B15R2.29 c1ccnc(c1)CN2CCC(=O)CC2 TS47026 [0,0,0,1,0,1|2,0,0]=4 267 B15R2.29 c1cnccc1CN2CCC(=O)CC2 TS08203 [0,0,0,1,0,1|2,0,0]=4 268 B15R2.79765 COC(=O)C1CCNc2c1cccc2 TS51312 [0,0,0,1,0,1|2,0,0]=4 269 B15R2.79765 COC(=O)C1CNCc2c1cccc2 TS94463 [0,0,0,1,0,1|2,0,0]=4 270 B15R2.3 c1cc(ccc1C2CCC(=O)CC2)Cl TS22791 [0,1,0,1,0,0|1,0,0]=3 271 B15R2.3 c1cc(ccc1C2CCC(=O)CC2)O TS09535 [0,1,0,1,0,0|1,0,0]=3 272 B15R2.3 c1cc(ccc1N2CCC(=O)CC2)Cl TS20815 [0,1,0,1,0,0|2,0,0]=4 273 B15R2.3 c1cc(ccc1N2CCC(=O)CC2)F TS51643 [0,1,0,1,0,0|2,0,0]=4 274 B15R2.98 c1cc(ccc1C[C@H]2COC(=O)N2)N TS46668 [0,1,0,1,0,0|2,0,0]=4 275 B15R2.98 c1cc(ccc1C[C@H]2COC(=O)N2)N TS93357 [0,1,0,1,0,0|2,0,0]=4 276 B15R2.98 c1cc(ccc1C[C@H]2COC(=O)N2)O TS51632 [0,1,0,1,0,0|2,0,0]=4 277 B15R2.50022 CN1c2cc(ccc2CCCC1=O)N TS86485 [0,1,0,1,0,0|2,0,0]=4 278 B15R2.1 [C-]#[N+]C1=CCC(CC1)c2ccccc2 TS48457 [0,1,0,1,0,0|2,0,0]=4 279 B15R2.1 c1ccc(cc1)C2CCC(CC2)C=O TS50782 [0,1,0,1,0,0|1,0,1]=4 280 B15R2.31 c1ccc(cc1)CC2CC(=O)CCN2 TS39264 [0,1,0,1,0,0|1,0,0]=3 281 B15R2.31 c1ccc(cc1)CN2CCCC(=O)C2 TS56366 [0,1,0,1,0,0|2,0,0]=4 282 B15R2.55 c1ccc(cc1)SCC2=CCCC2=O TS38658 [0,1,0,1,0,0|2,0,0]=4 283 B15R2.73 c1ccc2c(c1)CCN2C(=O)CCCl TS20814 [0,1,0,1,0,0|1,0,0]=3 284 B15R2.389 CC1CC(=O)CCN1c2ccccc2 TS50960 [0,1,0,1,0,0|2,0,0]=4 285 B15R2.389 c1ccc(cc1)C2CCC(=O)OC2=O TS17056 [0,1,0,1,0,0|0,0,1]=3 286 B15R2.1342 CCOC(=O)C1C(O1)c2ccccc2 TS17471 [0,1,0,1,0,0|2,0,0]=4 287 B15R2.1342 CCOC(=O)C1CC1c2ccccc2 TS17103 [0,1,0,1,0,0|1,0,0]=3 288 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1c2ccccc2 TS17104 [0,1,0,1,0,0|1,0,0]=3 289 B15R2.1601 COC(=O)[C@@H]1CCc2ccccc2N1 TS08111 [0,1,0,1,0,0|2,0,0]=4 290 B15R2.308 c1ccc(c(c1)N2CCC(=O)CC2)F TS51641 [0,1,0,1,0,0|2,0,0]=4 291 B15R2.28 c1cc(cc(c1)F)C2CCC(=O)CC2 TS17481 [0,1,0,1,0,0|1,0,0]=3 292 B15R2.28 c1cc(cc(c1)F)N2CCC(=O)CC2 TS51644 [0,1,0,1,0,0|2,0,0]=4 293 B15R2.63978 CN1c2ccc(cc2CCCC1=O)N TS90474 [0,1,0,1,0,0|2,0,0]=4 294 B15R2.4092 CC1(C(CC=N1=O)c2ccccc2)C TS50945 [0,1,0,1,0,0|2,0,0]=4 295 B11R1.91 CC(=C)COc1ccccc1 TS07455 [1,0,0,0,1,0|2,0,0]=4 296 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [1,0,0,0,1,0|2,0,0]=4 297 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [1,0,0,0,1,0|1,0,0]=3 298 B11R1.91 CC(=O)C#Cc1ccccc1 TS39336 [1,0,0,0,1,0|0,0,2]=4 299 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [1,0,0,0,1,0|0,0,2]=4 300 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [1,0,0,0,1,0|0,0,2]=4 301 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [1,0,0,0,1,0|0,0,0]=2 302 B11R1.91 CC(=O)COc1ccccc1 TS40853 [1,0,0,0,1,0|1,0,0]=3 303 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [1,0,0,0,1,0|1,0,0]=3 304 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [1,0,0,0,1,0|1,0,0]=3 305 B11R1.91 CC(=O)NCc1cccnc1 TS40869 [1,0,0,0,1,0|2,0,0]=4 306 B11R1.91 CC(=O)NNc1ccccc1 TS09877 [1,0,0,0,1,0|2,0,0]=4 307 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [1,0,0,0,1,0|0,0,0]=2 308 B11R1.91 CC(=O)OCc1ccccn1 TS41002 [1,0,0,0,1,0|1,0,0]=3 309 B11R1.91 CC(=O)OCc1ccncc1 TS40990 [1,0,0,0,1,0|1,0,0]=3 310 B11R1.91 CC(=O)O[Hg]c1ccccc1 TS64055 [1,0,0,0,1,0|1,0,0]=3 311 B11R1.91 CC(=O)O[Hg]c1ccccn1 TS78341 [1,0,0,0,1,0|2,0,0]=4 312 B11R1.91 CC(=O)SSc1ccccc1 TS74797 [1,0,0,0,1,0|1,1,0]=4 313 B11R1.91 CC(C)CCc1ccccc1 TS40689 [1,0,0,0,1,0|1,0,1]=4 314 B11R1.91 CC(CCc1ccccc1)N TS40782 [1,0,0,0,1,0|1,0,1]=4 315 B11R1.91 CC(CCc1ccccc1)O TS09764 [1,0,0,0,1,0|0,0,2]=4 316 B11R1.91 CN(C)CCc1ccccc1 TS01931 [1,0,0,0,1,0|2,0,0]=4 317 B11R1.91 C[C@@H](CCc1ccccc1)N TS40777 [1,0,0,0,1,0|1,0,1]=4 318 B11R1.91 C[C@H](CCc1ccccc1)N TS22961 [1,0,0,0,1,0|1,0,1]=4 319 B11R1.91 C[SiH](C)CCc1ccccc1 TS42818 [1,0,0,0,1,0|1,1,0]=4 320 B11R1.91 c1cc(cnc1)CCC(=O)O TS09416 [1,0,0,0,1,0|2,0,0]=4 321 B11R1.91 c1ccc(cc1)CCC(=O)Cl TS02876 [1,0,0,0,1,0|1,0,0]=3 322 B11R1.91 c1ccc(cc1)CCC(=O)N TS40758 [1,0,0,0,1,0|1,0,0]=3 323 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [1,0,0,0,1,0|1,0,0]=3 324 B11R1.91 c1ccc(cc1)CCN(=O)=O TS10013 [1,0,0,0,1,0|2,0,0]=4 325 B11R1.91 c1ccc(cc1)CNC(=O)N TS40871 [1,0,0,0,1,0|2,0,0]=4 326 B11R1.91 c1ccc(cc1)COC(=O)Cl TS01383 [1,0,0,0,1,0|1,0,0]=3 327 B11R1.91 c1ccc(cc1)COC(=O)N TS01381 [1,0,0,0,1,0|1,0,0]=3 328 B11R1.91 c1ccc(cc1)NCC(=O)O TS10023 [1,0,0,0,1,0|2,0,0]=4 329 B11R1.91 c1ccc(cc1)NCC(=O)[O-] TS50941 [1,0,0,0,1,0|2,0,0]=4 330 B11R1.91 c1ccc(cc1)OCC(=O)Cl TS12910 [1,0,0,0,1,0|2,0,0]=4 331 B11R1.91 c1ccc(cc1)OCC(=O)N TS40989 [1,0,0,0,1,0|2,0,0]=4 332 B11R1.91 c1ccc(cc1)OCC(=O)O TS10139 [1,0,0,0,1,0|2,0,0]=4 333 B11R1.91 c1ccc(cc1)OCC(=O)O TS32941 [1,0,0,0,1,0|2,0,0]=4 334 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS13444 [1,0,0,0,1,0|2,0,0]=4 335 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS51409 [1,0,0,0,1,0|2,0,0]=4 336 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS63445 [1,0,0,0,1,0|2,0,0]=4 337 B11R1.91 c1ccnc(c1)CCC(=O)O TS40994 [1,0,0,0,1,0|2,0,0]=4 338 B11R1.25 CCC(=O)OCc1ccco1 TS41356 [0,0,0,0,2,0|1,0,0]=3 339 B11R1.25 CCC(=S)OCc1ccco1 TS12832 [0,0,0,0,2,0|1,1,0]=4 340 B11R1.25 COC(=O)CCc1cccs1 TS45152 [0,0,0,0,2,0|2,0,0]=4 341 B11R1.40 C=CC(=O)Oc1ccccc1 TS07421 [0,0,0,0,2,0|0,0,2]=4 342 B11R1.40 CCC(=Cc1ccccc1)C TS07268 [0,0,0,0,2,0|1,0,1]=4 343 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [0,0,0,0,2,0|0,0,0]=2 344 B11R1.40 CCC(=O)Nc1ccccc1 TS29506 [0,0,0,0,2,0|1,0,0]=3 345 B11R1.40 CCC(C)Cc1ccccc1 TS40686 [0,0,0,0,2,0|1,0,1]=4 346 B11R1.40 CCC(Cc1ccccc1)O TS00513 [0,0,0,0,2,0|0,0,2]=4 347 B11R1.40 CNC(=O)Nc1ccccc1 TS09898 [0,0,0,0,2,0|2,0,0]=4 348 B11R1.40 COC(=O)Cc1ccccc1 TS00242 [0,0,0,0,2,0|1,0,0]=3 349 B11R1.40 COC(=O)Cc1ccccn1 TS39400 [0,0,0,0,2,0|2,0,0]=4 350 B11R1.40 COC(=O)Cc1cccnc1 TS90627 [0,0,0,0,2,0|2,0,0]=4 351 B11R1.40 COC(=O)Cc1ccncc1 TS10039 [0,0,0,0,2,0|2,0,0]=4 352 B11R1.40 COC(=O)Nc1ccccc1 TS41003 [0,0,0,0,2,0|2,0,0]=4 353 B11R1.40 c1ccc(cc1)CC(=O)CCl TS44955 [0,0,0,0,2,0|1,0,0]=3 354 B11R1.40 c1ccc(cc1)CC(=O)NN TS09901 [0,0,0,0,2,0|2,0,0]=4 355 B11R1.40 c1ccc(cc1)CC(=O)NO TS10040 [0,0,0,0,2,0|2,0,0]=4 356 B11R1.40 c1ccc(cc1)NC(=O)CCl TS12724 [0,0,0,0,2,0|2,0,0]=4 357 B11R1.40 c1ccc(cc1)NC(=O)CS TS12417 [0,0,0,0,2,0|2,0,0]=4 358 B11R1.40 c1ccc(cc1)OC(=O)CBr TS44644 [0,0,0,0,2,0|1,0,0]=3 359 B11R1.40 c1ccc(cc1)OC(=O)CCl TS12932 [0,0,0,0,2,0|1,0,0]=3