0 B13R1.42 CCCC(=O)OCc1ccccc1 B24241 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.42 CCOC(=O)C#Cc1ccccc1 L00603 [0,0,0,0,0,0|0,0,2]=2 2 B13R1.42 CCOC(=O)CCc1ccccc1 A13055 [0,0,0,0,0,0|0,0,2]=2 3 B13R1.42 CCOC(=O)CNc1ccccc1 B22282 [0,0,0,0,0,0|1,0,1]=2 4 B13R1.42 CCOC(=O)COc1ccccc1 A14156 [0,0,0,0,0,0|1,0,1]=2 5 B13R1.42 CCOC(=O)COc1cccnc1 H33981 [0,0,0,0,0,0|2,0,1]=3 6 B13R1.42 CCOC(=O)CSc1ccccc1 A18664 [0,0,0,0,0,0|1,0,1]=2 7 B13R1.42 CCOC(=O)\C=C\c1ccccc1 A12906 [0,0,0,0,0,0|0,0,0]=0 8 B13R1.42 CCOC(=O)\C=C\c1cccnc1 H33964 [0,0,0,0,0,0|1,0,0]=1 9 B13R1.42 c1ccc(cc1)COC(=O)CCN A18650 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.27 CCC(=O)OCc1ccccc1 B23186 [1,0,0,0,0,0|1,0,1]=3 11 B12R1.27 COC(=O)C#Cc1ccccc1 B24587 [1,0,0,0,0,0|0,0,2]=3 12 B12R1.27 COC(=O)CCc1ccccc1 L05310 [1,0,0,0,0,0|0,0,2]=3 13 B12R1.27 COC(=O)CCc1cccnc1 L14590 [1,0,0,0,0,0|1,0,2]=4 14 B12R1.27 COC(=O)CSc1ccccc1 L12649 [1,0,0,0,0,0|1,0,1]=3 15 B12R1.27 COC(=O)\C=C\c1ccccc1 A15975 [1,0,0,0,0,0|0,0,0]=1 16 B12R1.27 c1ccc(cc1)COC(=O)CBr A17630 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.27 c1ccc(cc1)COC(=O)CN H50247 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.27 c1ccc(cc1)COC(=O)CN H56016 [1,0,0,0,0,0|2,0,1]=4 19 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 L05030 [0,1,0,0,0,0|0,0,1]=2 20 B14R1.29 CCOC(=O)CC(=O)c1ccccn1 H64533 [0,1,0,0,0,0|1,0,1]=3 21 B14R1.29 CCOC(=O)CC(=O)c1ccncc1 H61647 [0,1,0,0,0,0|1,0,1]=3 22 B14R1.29 CCOC(=O)CC(c1ccccc1)O H65708 [0,1,0,0,0,0|0,0,2]=3 23 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 B23285 [0,1,0,0,0,0|1,0,0]=2 24 B14R1.60 CCOC(=O)[C@H](Cc1ccccc1)N A13618 [0,1,0,0,0,0|0,0,2]=3 25 B14R1.156 CCCOC(=O)\C=C\c1ccccc1 L07871 [0,1,0,0,0,0|0,0,0]=1 26 B14R1.156 c1ccc(cc1)CNC(=O)CCCCl H58921 [0,1,0,0,0,0|2,0,1]=4 27 B14R1.502 CCOC(=O)CCc1ccc(cc1)Br H61633 [0,1,0,0,0,0|0,0,2]=3 28 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)Br H27544 [0,1,0,0,0,0|0,0,0]=1 29 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)N L04464 [0,1,0,0,0,0|0,0,0]=1 30 B14R1.598 CCOC(=O)CCc1ccccc1Br H63505 [0,1,0,0,0,0|0,0,2]=3 31 B14R1.598 CCOC(=O)COc1ccccc1C B22375 [0,1,0,0,0,0|1,0,1]=3 32 B14R1.598 CCOC(=O)\C=C\c1cccnc1Cl H50050 [0,1,0,0,0,0|1,0,0]=2 33 B14R1.598 CCOC(=O)\C=C\c1cccnc1N H50018 [0,1,0,0,0,0|1,0,0]=2 34 B14R1.598 CCOC(=O)\C=C\c1cnccc1N H50037 [0,1,0,0,0,0|1,0,0]=2 35 B14R1.818 CC(C)CC(=O)OCc1ccccc1 B24852 [0,1,0,0,0,0|2,0,1]=4 36 B14R1.818 CC(C)OC(=O)\C=C\c1ccccc1 L07824 [0,1,0,0,0,0|0,0,0]=1 37 B14R2.30 c1ccc(cc1)CN2CCCC2=O B23538 [0,0,0,1,0,0|2,0,1]=4 38 B14R2.112 CCOc1ccc2ccccc2c1 B23327 [0,0,0,1,0,0|1,0,0]=2 39 B14R2.203 CC[n+]1c(ccc2c1cccc2)C A10584 [0,0,0,1,0,0|2,0,0]=3 40 B14R2.598 c1ccc(cc1)C2=CC(=O)OC2=O L03453 [0,0,0,1,0,0|1,0,1]=3 41 B12R1.32 CCOC(=O)Cc1ccccc1 A19356 [0,0,0,0,1,0|0,0,1]=2 42 B12R1.32 CCOC(=O)Cc1ccccn1 B23988 [0,0,0,0,1,0|1,0,1]=3 43 B12R1.32 CCOC(=O)Cc1cccnc1 A14768 [0,0,0,0,1,0|1,0,1]=3 44 B12R1.32 CCOC(=O)Cc1ccncc1 A14550 [0,0,0,0,1,0|1,0,1]=3 45 B12R1.32 CCOC(=O)Nc1ccccc1 L05027 [0,0,0,0,1,0|1,0,0]=2 46 B12R1.51 CCOC(=O)CCc1ccco1 A18732 [0,0,0,0,1,0|1,0,2]=4 47 B14R1.520 CCOC(=O)CCOc1ccccc1 L07606 [0,0,0,0,0,1|0,0,2]=3 48 B14R1.520 CCOC(=O)CNCc1ccccc1 L15496 [0,0,0,0,0,1|0,0,2]=3 49 B11R1.28 CCO\C=N\c1ccccc1 43788 [2,0,0,0,0,0|1,0,0]=3 50 B11R1.28 c1ccc(cc1)\C=C\C=N\O L05026 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.91 B(\C=C\c1ccccc1)(O)O H53227 [2,0,0,0,0,0|1,0,1]=4 52 B11R1.91 CC(=O)C#Cc1ccccc1 H27826 [2,0,0,0,0,0|0,0,2]=4 53 B11R1.91 CC(=O)CCc1ccccc1 B22777 [2,0,0,0,0,0|0,0,2]=4 54 B11R1.91 CC(=O)NNc1ccccc1 A14446 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.91 CC(=O)OCc1ccccc1 B23472 [2,0,0,0,0,0|1,0,1]=4 56 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [2,0,0,0,0,0|0,0,0]=2 57 B11R1.91 c1cc(cnc1)\C=C\C(=O)O A14747 [2,0,0,0,0,0|1,0,0]=3 58 B11R1.91 c1ccc(cc1)C#CC(=O)O A15163 [2,0,0,0,0,0|0,0,2]=4 59 B11R1.91 c1ccc(cc1)CCC(=O)O A14908 [2,0,0,0,0,0|0,0,2]=4 60 B11R1.91 c1ccc(cc1)NCC(=O)O A14182 [2,0,0,0,0,0|1,0,1]=4 61 B11R1.91 c1ccc(cc1)OCC(=O)O A12541 [2,0,0,0,0,0|1,0,1]=4 62 B11R1.91 c1ccc(cc1)SCC(=O)O B22280 [2,0,0,0,0,0|1,0,1]=4 63 B11R1.91 c1ccc(cc1)\C=C\C(=O)Cl A12016 [2,0,0,0,0,0|1,0,0]=3 64 B11R1.91 c1ccc(cc1)\C=C\C(=O)N A13429 [2,0,0,0,0,0|1,0,0]=3 65 B11R1.91 c1ccc(cc1)\C=C\C(=O)O A13538 [2,0,0,0,0,0|0,0,0]=2 66 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] L14367 [2,0,0,0,0,0|1,0,1]=4 67 B11R1.91 c1cnccc1\C=C\C(=O)O L13458 [2,0,0,0,0,0|1,0,0]=3 68 B13R1.14 COC(=O)CCc1ccc(cc1)Br H61546 [1,1,0,0,0,0|0,0,2]=4 69 B13R1.14 COC(=O)CCc1ccc(cc1)O H64255 [1,1,0,0,0,0|0,0,2]=4 70 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Cl A17071 [1,1,0,0,0,0|0,0,0]=2 71 B13R1.135 COC(=O)C(Cc1ccccc1)N A12758 [1,1,0,0,0,0|0,0,2]=4 72 B13R1.135 COC(=O)[C@@H](Cc1ccccc1)N H25920 [1,1,0,0,0,0|0,0,2]=4 73 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N A11455 [1,1,0,0,0,0|0,0,2]=4 74 B13R1.351 CC(C)C(=O)OCc1ccccc1 L05930 [1,1,0,0,0,0|1,0,1]=4 75 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)N H65699 [1,1,0,0,0,0|1,0,1]=4 76 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)N L10743 [1,1,0,0,0,0|1,0,1]=4 77 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)O L14645 [1,1,0,0,0,0|1,0,1]=4 78 B13R1.351 C[C@H](C(=O)OCc1ccccc1)N H62412 [1,1,0,0,0,0|1,0,1]=4 79 B13R1.528 COC(=O)CCc1ccccc1Br H61342 [1,1,0,0,0,0|0,0,2]=4 80 B13R1.528 COC(=O)CCc1ccccc1O A12219 [1,1,0,0,0,0|0,0,2]=4 81 B13R1.19 CCOC(=O)Cc1ccc(cc1)Br B22165 [0,1,0,0,1,0|0,0,1]=3 82 B13R1.19 CCOC(=O)Cc1ccc(cc1)C A16718 [0,1,0,0,1,0|0,0,1]=3 83 B13R1.19 CCOC(=O)Cc1ccc(cc1)N A11529 [0,1,0,0,1,0|0,0,1]=3 84 B13R1.19 CCOC(=O)Cc1ccc(cc1)O B21832 [0,1,0,0,1,0|0,0,1]=3 85 B13R1.20 CCOC(=O)Cc1cccc(c1)C A18497 [0,1,0,0,1,0|0,0,1]=3 86 B13R1.47 CCOC(=O)C(=C)c1ccccc1 B23913 [0,1,0,0,1,0|0,0,0]=2 87 B13R1.47 CCOC(=O)C(=O)c1ccccc1 B25292 [0,1,0,0,1,0|0,0,0]=2 88 B13R1.47 CCOC(=O)C(c1ccccc1)Br B21114 [0,1,0,0,1,0|0,0,1]=3 89 B13R1.47 CCOC(=O)C(c1ccccc1)O A17412 [0,1,0,0,1,0|0,0,1]=3 90 B13R1.47 CCOC(=O)[C@H](c1ccccc1)N L01564 [0,1,0,0,1,0|0,0,1]=3 91 B13R1.348 CC(C)OC(=O)Cc1ccccc1 L07385 [0,1,0,0,1,0|0,0,1]=3 92 B13R1.348 CC(C)OC(=O)Nc1ccccc1 B24998 [0,1,0,0,1,0|1,0,0]=3 93 B13R1.470 CCOC(=O)Cc1ccccc1Br H50630 [0,1,0,0,1,0|0,0,1]=3 94 B13R1.470 CCOC(=O)Cc1ccccc1C A11955 [0,1,0,0,1,0|0,0,1]=3 95 B13R1.470 CCOC(=O)Cc1ccccc1F L19999 [0,1,0,0,1,0|0,0,1]=3 96 B15R1.89 CCOC(=O)CCN(C)c1ccccc1 H61615 [0,1,0,0,0,1|0,0,2]=4 97 B15R1.89 CCOC(=O)CNC(=O)c1ccccc1 B24765 [0,1,0,0,0,1|0,0,1]=3 98 B15R1.89 CCOC(=O)\C=C\C(=O)c1ccccc1 A19426 [0,1,0,0,0,1|0,0,0]=2 99 B15R1.826 CCOC(=O)C(=O)CCc1ccccc1 B20148 [0,1,0,0,0,1|0,0,1]=3 100 B15R1.826 CCOC(=O)[C@@H](CCc1ccccc1)O H61507 [0,1,0,0,0,1|0,0,2]=4 101 B15R1.826 CCOC(=O)[C@H](CCc1ccccc1)N H65425 [0,1,0,0,0,1|0,0,2]=4 102 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)F H61813 [0,2,0,0,0,0|0,0,1]=3 103 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)F H61315 [0,2,0,0,0,0|0,0,1]=3 104 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1F H61204 [0,2,0,0,0,0|0,0,1]=3 105 B15R1.27 CCOC(=O)\C=C\c1cncc(c1N)Br H50038 [0,2,0,0,0,0|1,0,0]=3 106 B15R1.3858 CCOC(=O)\C=C\c1cc(cnc1N)Br H50003 [0,2,0,0,0,0|1,0,0]=3 107 B15R1.10389 CCOC(=O)COc1cccc(c1)C=O L20399 [0,2,0,0,0,0|1,0,1]=4 108 B15R1.10390 CCOC(=O)\C=C\c1ccc(c(c1)O)O B24808 [0,2,0,0,0,0|0,0,0]=2 109 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)Br H50598 [0,2,0,0,0,0|1,0,0]=3 110 B15R1.48 CCOC(=O)C(Cc1ccc(cc1)Cl)N L12798 [0,2,0,0,0,0|0,0,2]=4 111 B15R1.48 CCOC(=O)[C@@H](Cc1ccc(cc1)O)N H62194 [0,2,0,0,0,0|0,0,2]=4 112 B15R1.48 CCOC(=O)[C@H](Cc1ccc(cc1)O)N A18358 [0,2,0,0,0,0|0,0,2]=4 113 B15R1.48 CCOC(=O)[C@H](Cc1ccc(cc1)O)N H66352 [0,2,0,0,0,0|0,0,2]=4 114 B15R1.78 CCCCOC(=O)\C=C\c1ccccc1 L07362 [0,2,0,0,0,0|0,0,0]=2 115 B15R1.768 CCOC(=O)COc1ccccc1C=O H50286 [0,2,0,0,0,0|1,0,1]=4 116 B15R1.768 CCOC(=O)\C=C\c1cccnc1OC H50119 [0,2,0,0,0,0|1,0,0]=3 117 B13R1.464 CCOC(=O)c1ccccc1OC A11287 [0,0,1,1,0,0|1,0,1]=4 118 B13R1.460 CCOC(=O)c1cccc(c1)C=O H50945 [0,0,1,1,0,0|1,0,0]=3 119 B13R1.460 CCOC(=O)c1cccc(c1)OC A10902 [0,0,1,1,0,0|1,0,1]=4 120 B13R1.446 CCOC(=O)c1cc(ccc1Cl)Br A10334 [0,0,1,1,0,0|2,0,0]=4 121 B13R1.446 CCOC(=O)c1cc(ccc1Cl)Cl A16094 [0,0,1,1,0,0|2,0,0]=4 122 B13R1.446 CCOC(=O)c1cc(ccc1N)I B25484 [0,0,1,1,0,0|2,0,0]=4 123 B13R2.3 c1ccc(cc1)C2=CCCCC2 B20602 [1,0,0,1,0,0|1,0,1]=4 124 B13R2.1613 CC[n+]1cccc2c1cccc2 A17854 [1,0,0,1,0,0|1,0,0]=3 125 B13R2.1613 CCc1cccc2c1cccc2 H56413 [1,0,0,1,0,0|1,0,0]=3 126 B13R2.1613 COc1cccc2c1cccc2 B24825 [1,0,0,1,0,0|2,0,0]=4 127 B13R2.1613 c1ccc2c(c1)cccc2CBr H64116 [1,0,0,1,0,0|2,0,0]=4 128 B13R2.1613 c1ccc2c(c1)cccc2CCl B24385 [1,0,0,1,0,0|2,0,0]=4 129 B13R2.1613 c1ccc2c(c1)cccc2CN L03541 [1,0,0,1,0,0|2,0,0]=4 130 B13R2.1613 c1ccc2c(c1)cccc2CO L01347 [1,0,0,1,0,0|2,0,0]=4 131 B13R2.10 c1ccc(cc1)C2=NCC(=O)O2 L00194 [1,0,0,1,0,0|2,0,0]=4 132 B13R2.10 c1ccc(cc1)C2CCC(=O)O2 B24364 [1,0,0,1,0,0|1,0,1]=4 133 B13R2.10 c1ccc(cc1)N2CCC(=O)N2 A12089 [1,0,0,1,0,0|2,0,0]=4 134 B13R2.10 c1ccc(cc1)[C@@H]2COC(=O)N2 H27171 [1,0,0,1,0,0|1,0,1]=4 135 B13R2.10 c1ccc(cc1)[C@H]2COC(=O)N2 H27306 [1,0,0,1,0,0|1,0,1]=4 136 B13R2.10 c1ccc(cc1)c2cc(=O)o[nH]2 A15837 [1,0,0,1,0,0|1,0,0]=3 137 B13R2.10 c1ccc(cc1)c2cc(on2)N H27801 [1,0,0,1,0,0|2,0,0]=4 138 B13R2.32 Cc1ccc2ccccc2c1C L09774 [1,0,0,1,0,0|1,0,1]=4 139 B13R2.32 Cn1c2ccccc2ccc1=O L09410 [1,0,0,1,0,0|1,0,0]=3 140 B13R2.32 c1ccc2c(c1)C=CC(=S)C2O A12125 [1,0,0,1,0,0|1,1,0]=4 141 B13R2.57 COc1ccc2c(c1)cccn2 A11736 [1,0,0,1,0,0|2,0,0]=4 142 B13R2.57 COc1ccc2ccccc2c1 A17650 [1,0,0,1,0,0|1,0,0]=3 143 B13R2.57 CSc1ccc2ccccc2c1 B22368 [1,0,0,1,0,0|1,1,0]=4 144 B13R2.57 c1ccc2c(c1)ccc(n2)CCl A14102 [1,0,0,1,0,0|2,0,0]=4 145 B13R2.57 c1ccc2cc(ccc2c1)CBr B24568 [1,0,0,1,0,0|2,0,0]=4 146 B13R2.57 c1ccc2cc(ccc2c1)CCl H50242 [1,0,0,1,0,0|2,0,0]=4 147 B13R2.163 c1ccc2c(c1)CCCC(=O)N2 H63576 [0,0,0,1,1,0|2,0,0]=4 148 B15R2.31 c1ccc(cc1)NC2=CC(=O)CCC2 A13750 [0,0,0,1,0,1|1,0,0]=3 149 B15R2.73 CCOC(=O)c1c2ccccc2[nH]n1 H32098 [0,0,0,1,0,1|1,0,0]=3 150 B15R2.73 CCOC(=O)c1c[nH]c2c1cccc2 H66254 [0,0,0,1,0,1|0,0,0]=2 151 B15R2.73 CCOC(=O)c1cnn2c1cccc2 H26511 [0,0,0,1,0,1|1,0,0]=3 152 B15R2.73 CCOC(=O)c1cnn2c1nccc2 H33977 [0,0,0,1,0,1|2,0,0]=4 153 B15R2.1342 CCOC(=O)C1C(O1)c2ccccc2 B22990 [0,0,0,1,0,1|0,0,2]=4 154 B15R2.10252 CCOc1ccc2cc(ccc2c1)Br H50568 [0,1,0,1,0,0|1,0,0]=3 155 B15R2.38 c1ccc(cc1)\C=C/2\CCCCC2=O L13434 [0,1,0,1,0,0|1,0,0]=3 156 B15R2.1356 CCOC(=O)[C@@H]1Cc2ccccc2N1 H28059 [0,1,0,1,0,0|0,0,2]=4 157 B15R2.1356 CCOC(=O)c1cc2ccccc2[nH]1 L00797 [0,1,0,1,0,0|0,0,0]=2 158 B15R2.1356 CCOC(=O)c1cn2ccccc2n1 H35384 [0,1,0,1,0,0|1,0,0]=3 159 B15R2.1356 CCOC(=O)c1nc2ccccc2s1 H32904 [0,1,0,1,0,0|1,0,0]=3 160 B15R2.352 c1ccc2cc(ccc2c1)OCCO A11636 [0,1,0,1,0,0|1,0,0]=3 161 B15R2.1282 CCOc1ccc2ccc(=O)oc2c1 L14116 [0,1,0,1,0,0|2,0,0]=4 162 B15R2.1668 CC(=O)Oc1ccc2ccccc2c1 A18487 [0,1,0,1,0,0|1,0,1]=4 163 B11R1.25 COC(=O)\C=C\c1cccs1 B20177 [1,0,0,0,1,0|1,0,0]=3 164 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [1,0,0,0,1,0|1,0,0]=3 165 B11R1.40 COC(=O)Cc1ccccc1 A15537 [1,0,0,0,1,0|0,0,1]=3 166 B11R1.40 COC(=O)Nc1cccnc1 H63484 [1,0,0,0,1,0|2,0,0]=4 167 B11R1.40 COC(=O)Oc1ccccc1 B25232 [1,0,0,0,1,0|1,0,0]=3 168 B11R1.40 c1ccc(cc1)OC(=O)CBr H60464 [1,0,0,0,1,0|2,0,0]=4 169 B11R1.16 C=COC(=O)c1ccccc1 B21805 [0,0,0,0,2,0|0,0,2]=4 170 B11R1.16 CCCC(=O)c1ccccc1 A11345 [0,0,0,0,2,0|1,0,0]=3 171 B11R1.16 CCOC(=N)c1ccccc1 L17684 [0,0,0,0,2,0|1,0,0]=3 172 B11R1.16 CCOC(=O)c1ccccc1 44283 [0,0,0,0,2,0|0,0,0]=2 173 B11R1.16 CCOC(=O)c1ccccc1 A13057 [0,0,0,0,2,0|0,0,0]=2 174 B11R1.16 CCOC(=O)c1ccccn1 A13973 [0,0,0,0,2,0|1,0,0]=3 175 B11R1.16 CCOC(=O)c1cccnc1 L03215 [0,0,0,0,2,0|1,0,0]=3 176 B11R1.16 CCOC(=O)c1ccncc1 L03010 [0,0,0,0,2,0|1,0,0]=3 177 B11R1.16 CCOC(=O)c1ccncn1 H64662 [0,0,0,0,2,0|2,0,0]=4 178 B11R1.16 c1ccc(cc1)C(=O)CCCl A12290 [0,0,0,0,2,0|2,0,0]=4 179 B11R1.16 c1ccc(cc1)C(=O)NCO A12250 [0,0,0,0,2,0|2,0,0]=4 180 B11R1.16 c1ccc(cc1)C(=O)SCO L00523 [0,0,0,0,2,0|1,1,0]=4 181 B11R1.30 CCOC(=O)Cc1cccs1 A15896 [0,0,0,0,2,0|1,0,1]=4 182 B11R1.30 CCOC(=O)Cc1ccsc1 A19694 [0,0,0,0,2,0|1,0,1]=4 183 B15R1.778 CCOC(=O)CCNCc1ccccc1 L17652 [0,0,0,0,0,2|0,0,2]=4