0 B14R1.160 O=C(O)NCC(O)C1=CC=CC=C1Br SC-61959 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.160 O=C(O)NCC(O)C1=CC=CC=C1Cl SC-61951 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 SC-89356 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.45 O=C(O)CCC(=O)C1=NC=CC=C1 SC-50011 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 SC-A5865 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 SC-14183 [1,0,0,0,0,0|0,0,2]=3 6 B13R1.45 O=C([O-])CNC(=O)C1=CC=CC=C1 SC-40764 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.158 O=C(O)CCCC1=CC=CC=C1F SC-11471 [1,0,0,0,0,0|1,0,1]=3 8 B13R1.674 O=C(OCCO)C1=CC=CC=C1O SC-65711 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.674 [N-]=[N+]=NCC(=O)C1=CC=CC=C1O SC-39333 [1,0,0,0,0,0|3,0,0]=4 10 B15R1.5793 NC1=CC=CC=C1C(=O)CC(N)C(=O)O SC-82957 [0,1,0,0,0,0|1,0,0]=2 11 B15R1.5793 [C@H](N)(CC(=O)C1=CC=CC=C1N)C(=O)O SC-21749 [0,1,0,0,0,0|1,0,0]=2 12 B15R1.8420 O=C(O)CNC(=O)C1=CC(Cl)=CC=C1Cl SC-A2608 [0,1,0,0,0,0|2,0,0]=3 13 B15R2.6 O=C(O)CCN1N=CC2=C1C=CC=C2 SC-46408 [0,0,0,1,0,0|3,0,0]=4 14 B15R2.629 O=C(O)CC1CC2=C(C=CC=C2)C1O SC-12941 [0,0,0,1,0,0|1,0,2]=4 15 B15R2.14951 O=C(Cl)C1=CC(=O)C2=CC=CC=C2O1 SC-61108 [0,0,0,1,0,0|1,0,2]=4 16 B15R2.14951 O=C1CC(C(=O)O)CC2=C1C=CC=C2 SC-34817 [0,0,0,1,0,0|1,0,0]=2 17 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1Cl SC-49256 [0,0,0,0,1,0|2,0,0]=3 18 B13R1.201 CC(CC(=O)O)C1=CC=CC=C1Cl SC-91278 [0,0,0,0,1,0|2,0,1]=4 19 B13R1.201 CC1=CC=CC=C1C(N)CC(=O)O SC-59199 [0,0,0,0,1,0|2,0,1]=4 20 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br SC-59326 [0,0,0,0,1,0|2,0,1]=4 21 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl SC-45626 [0,0,0,0,1,0|2,0,1]=4 22 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F SC-54441 [0,0,0,0,1,0|2,0,1]=4 23 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1O SC-59311 [0,0,0,0,1,0|1,0,1]=3 24 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SC-71108 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.30 CNCCC(=O)C1=CC=CC=C1 SC-35337 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.30 NCCCC(=O)C1=CC=CC=C1 SC-36005 [2,0,0,0,0,0|1,0,1]=4 27 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SC-71520 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SC-22740 [2,0,0,0,0,0|0,0,1]=3 29 B12R1.252 O=C(O)CCCC1=CC=NC=C1 SC-70148 [2,0,0,0,0,0|1,0,1]=4 30 B12R1.252 O=C(O)COCC1=CC=CC=C1 SC-11831 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.267 CC1=CC=CC=C1CCCC=O SC-57735 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.308 CCOC(=O)C1=CC=CC=C1O SC-79630 [2,0,0,0,0,0|1,0,1]=4 33 B14R1.415 CC(CC(N)C(=O)O)C1=CC=CC=C1 SC-59421 [1,1,0,0,0,0|1,0,1]=4 34 B14R1.417 CC(C1=CC=CC=C1)C(N)CC(=O)O SC-59361 [1,1,0,0,0,0|1,0,1]=4 35 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 SC-45842 [1,1,0,0,0,0|0,0,0]=2 36 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 SC-81289 [1,1,0,0,0,0|1,0,0]=3 37 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 SC-52657 [1,1,0,0,0,0|0,0,0]=2 38 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 SC-A2963 [1,1,0,0,0,0|1,0,0]=3 39 B14R1.154 O=C(O)CCCC1=CC=CC(O)=C1O SC-51738 [1,1,0,0,0,0|0,0,1]=3 40 B14R1.161 NC(CCC1=CC=CC=C1Cl)C(=O)O SC-31572 [1,1,0,0,0,0|1,0,1]=4 41 B14R1.337 CC1=CC=CC=C1CC(N)CC(=O)O SC-21177 [1,1,0,0,0,0|1,0,1]=4 42 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Br SC-A1242 [1,1,0,0,0,0|1,0,1]=4 43 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Cl SC-66010 [1,1,0,0,0,0|1,0,1]=4 44 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1F SC-A1230 [1,1,0,0,0,0|1,0,1]=4 45 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1Br SC-A1239 [1,1,0,0,0,0|1,0,1]=4 46 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1F SC-A1227 [1,1,0,0,0,0|1,0,1]=4 47 B14R1.4464 O=C(O)CCCC1=CC=C(Cl)C=C1Cl SC-13057 [1,1,0,0,0,0|1,0,1]=4 48 B14R1.152 CC1=C(O)C(C(N)CC(=O)O)=CC=C1 SC-59220 [0,1,0,0,1,0|1,0,1]=4 49 B14R1.152 NC(CC(=O)O)C1=CC=CC(F)=C1O SC-59331 [0,1,0,0,1,0|1,0,1]=4 50 B14R1.152 NC(CC(=O)O)C1=CC=CC(O)=C1O SC-59334 [0,1,0,0,1,0|1,0,1]=4 51 B14R1.840 COC1=CC=CC=C1C(N)CC(=O)O SC-59312 [0,1,0,0,1,0|1,0,1]=4 52 B14R1.6048 NC(CC(=O)O)C1=CC=C(O)C=C1O SC-59285 [0,1,0,0,1,0|1,0,1]=4 53 B14R1.6052 NC(CC(=O)O)C1=CC(O)=CC=C1O SC-59335 [0,1,0,0,1,0|1,0,1]=4 54 B16R1.7488 O=C(O)CCC(=O)NC1=CC(Cl)=CC=C1Cl SC-51157 [0,1,0,0,0,1|1,0,0]=3 55 B16R1.16904 COC(=O)C(=O)CC(=O)C1=CC=CC=C1Br SC-72505 [0,2,0,0,0,0|1,0,1]=4 56 B14R1.4522 O=C(O)CCC1=C(C(=O)O)C=CC=C1 SC-43531 [0,0,1,1,0,0|2,0,0]=4 57 B14R2.68 O=C1CCC(C2=CC=CC=C2)CO1 SC-35883 [1,0,0,1,0,0|1,0,1]=4 58 B14R2.287 O=C1CCC(=O)C2=C(C=CN=C2)N1 SC-12316 [1,0,0,1,0,0|2,0,0]=4 59 B14R2.287 O=C1CCC(=O)C2=CC=CC=C2N1 SC-96785 [1,0,0,1,0,0|1,0,0]=3 60 B14R2.287 O=C1CCC(=O)C2=CC=CN=C2N1 SC-58576 [1,0,0,1,0,0|2,0,0]=4 61 B14R2.422 O=C1CN(C(=O)C2=CC=CC=C2)C1 SC-59530 [1,0,0,1,0,0|2,0,0]=4 62 B14R2.25733 CC(=O)N1CC(=O)C2=CC=CC=C21 SC-45806 [1,0,0,1,0,0|2,0,0]=4 63 B14R2.25733 O=C1CC(C(=O)O)C2=CC=CC=C12 SC-03206 [1,0,0,1,0,0|0,0,0]=2 64 B14R2.25733 O=C1OC(C(=O)Cl)C2=CC=CC=C12 SC-61441 [1,0,0,1,0,0|2,0,0]=4 65 B14R2.25733 O=C1OC(C(=O)O)C2=CC=CC=C12 SC-61440 [1,0,0,1,0,0|1,0,0]=3 66 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 SC-28729 [1,0,0,1,0,0|1,0,1]=4 67 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)C1 SC-65318 [1,0,0,1,0,0|1,0,1]=4 68 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)N1 SC-A3399 [1,0,0,1,0,0|1,0,1]=4 69 B14R2.781 O=C(O)C1CCC2=CC=CC=C2N1 SC-49015 [1,0,0,1,0,0|1,0,1]=4 70 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 SC-52232 [1,0,0,1,0,0|2,0,0]=4 71 B14R2.781 O=C(O)C1CNC2=CC=CC=C2O1 SC-92503 [1,0,0,1,0,0|1,0,0]=3 72 B14R2.781 O=C(O)C1COC2=CC=CC=C2C1 SC-65754 [1,0,0,1,0,0|2,0,0]=4 73 B14R2.781 O=C(O)C1COC2=CC=CC=C2N1 SC-87885 [1,0,0,1,0,0|2,0,0]=4 74 B14R2.781 O=C(O)C1COC2=CC=CC=C2N1 SC-A4963 [1,0,0,1,0,0|2,0,0]=4 75 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 SC-23379 [1,0,0,1,0,0|1,0,0]=3 76 B14R2.781 O=C(O)[C@@H]1COC2=CC=CC=C2O1 SC-93049 [1,0,0,1,0,0|1,0,0]=3 77 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)N1 SC-A2473 [1,0,0,1,0,0|1,0,1]=4 78 B14R2.781 O=C(O)[C@H]1CCC2=CC=CC=C2C1 SC-50071 [1,0,0,1,0,0|1,0,1]=4 79 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 SC-07103 [0,0,0,1,1,0|2,0,0]=4 80 B14R2.2 O=C(O)CC1=NOC2=CC=CC=C21 SC-65108 [0,0,0,1,1,0|1,0,0]=3 81 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 SC-46132 [0,0,0,1,1,0|1,0,1]=4 82 B16R2.3356 NC1=C(CCC(=O)O)OC2=CC=CC=C21 SC-59290 [0,0,0,1,0,1|1,0,0]=3 83 B16R2.520 CC(CC(=O)O)C1=CNC2=C1C=CC=C2 SC-88481 [0,1,0,1,0,0|2,0,0]=4 84 B16R2.520 NC(CC(=O)O)C1=CNC2=C1C=CC=C2 SC-59355 [0,1,0,1,0,0|2,0,0]=4 85 B16R2.520 NC(CC(=O)O)C1=CSC2=CC=CC=C21 SC-59388 [0,1,0,1,0,0|1,1,0]=4 86 B16R2.12 NC(CC1=CNC2=CC=CC=C12)C(=O)O SC-44415 [0,1,0,1,0,0|2,0,0]=4 87 B16R2.14 COC(=O)CCC1=CNC2=C1C=CC=C2 SC-A5295 [0,1,0,1,0,0|2,0,0]=4 88 B16R2.2976 O=C(O)CCC1=CNC2=C1C=CC(Br)=C2 SC-45679 [0,1,0,1,0,0|2,0,0]=4 89 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(F)C=C2 SC-82284 [0,1,0,1,0,0|2,0,0]=4 90 B16R2.23501 CC1=CC=C2OC(C(=O)O)=CC(=O)C2=C1 SC-58033 [0,1,0,1,0,0|0,0,2]=4 91 B16R2.23501 O=C(O)C1=CC(=O)C2=CC(Br)=CC=C2O1 SC-62362 [0,1,0,1,0,0|0,0,2]=4 92 B16R2.23501 O=C(O)C1=CC(=O)C2=CC(Cl)=CC=C2O1 SC-55383 [0,1,0,1,0,0|0,0,2]=4 93 B12R1.107 CC(=O)CC(=O)C1=NC=CC=C1 SC-29302 [1,0,0,0,1,0|2,0,0]=4 94 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 SC-A2836 [1,0,0,0,1,0|1,0,1]=4 95 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 SC-84768 [1,0,0,0,1,0|1,0,0]=3 96 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SC-46779 [1,0,0,0,1,0|1,0,1]=4 97 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SC-46780 [1,0,0,0,1,0|1,0,1]=4 98 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 SC-45519 [1,0,0,0,1,0|1,0,1]=4 99 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 SC-19254 [1,0,0,0,1,0|0,0,0]=2 100 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 SC-46433 [1,0,0,0,1,0|1,0,1]=4 101 B12R1.125 CC1=CC=CC=C1CCC(=O)O SC-27982 [1,0,0,0,1,0|1,0,0]=3 102 B12R1.125 CC1=CC=CC=C1OCC(=O)O SC-73996 [1,0,0,0,1,0|2,0,0]=4 103 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SC-17877 [1,0,0,0,1,0|1,0,0]=3 104 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SC-49196 [1,0,0,0,1,0|1,0,0]=3 105 B12R1.125 O=C(O)CCC1=CC=CC=C1F SC-76672 [1,0,0,0,1,0|1,0,0]=3 106 B12R1.125 O=C(O)CNC1=CC=CC=C1F SC-92918 [1,0,0,0,1,0|2,0,0]=4 107 B12R1.125 O=C(O)COC1=CC=CC=C1F SC-50195 [1,0,0,0,1,0|2,0,0]=4 108 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br SC-81630 [1,0,0,0,1,0|1,0,1]=4 109 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1I SC-41296 [1,0,0,0,1,0|1,0,1]=4 110 B12R1.124 NC(C(=O)O)C1=CC=CC=C1O SC-26297 [0,0,0,0,2,0|1,0,1]=4 111 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 SC-46406 [1,0,0,0,0,1|0,0,0]=2