0 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 HR134217 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 HR141092 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.818 CC(C)CC(=O)\C=C\C1=CC=CC=C1 HR145363 [0,0,0,0,0,0|1,0,1]=2 3 B14R1.818 CC(C)OC(=O)\C=C\C1=CC=CC=C1 HR124419 [0,0,0,0,0,0|2,0,1]=3 4 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 HR128547 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 HR135729 [1,0,0,0,0,0|0,0,0]=1 6 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 HR140622 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 HR138449 [1,0,0,0,0,0|2,0,0]=3 8 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 HR107282 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 HR128269 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.42 CCOC(=O)COC1=CC=CC=C1 HR126479 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 HR143900 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 HR122282 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.42 NCCC(=O)OCc1ccccc1 HR138530 [1,0,0,0,0,0|1,0,0]=2 14 B15R1.741 CC(CO)NC(=O)OCC1=CC=CC=C1 HR115906 [0,1,0,0,0,0|1,0,0]=2 15 B15R1.741 COC(=O)CC(=O)OCC1=CC=CC=C1 HR114981 [0,1,0,0,0,0|1,0,1]=3 16 B15R1.1076 CC(C)OC(=O)CC(=O)C1=CC=CC=C1 HR115138 [0,1,0,0,0,0|2,0,1]=4 17 B15R1.3465 CC(C)(C)OC(=O)NCC1=NC=CC=C1 HR104615 [0,1,0,0,0,0|3,0,0]=4 18 B15R1.3678 CC(C)C(N)C(=O)OCC1=CC=CC=C1 HR13016 [0,1,0,0,0,0|0,0,0]=1 19 B15R1.3678 CC(C)C(N)C(=O)OCC1=CC=CC=C1 HR140593 [0,1,0,0,0,0|0,0,0]=1 20 B15R1.3678 CC(C)C(N)C(=O)OCc1ccccc1 HR131450 [0,1,0,0,0,0|0,0,0]=1 21 B15R1.3678 CC(O)C(N)C(=O)OCc1ccccc1 HR134147 [0,1,0,0,0,0|1,0,0]=2 22 B15R1.3678 CC(O)C(N)C(=O)OCc1ccccc1 HR139435 [0,1,0,0,0,0|1,0,0]=2 23 B15R1.5336 CN(C)\C=C(/C=O)OCC1=CC=CC=C1 HR146252 [0,1,0,0,0,0|1,0,1]=3 24 B15R2.27 O=C1CC(=O)CC(C2=CC=CC=C2)C1 HR142345 [0,0,0,1,0,0|2,0,1]=4 25 B15R2.325 NC1CC(=O)N(CC2=CC=CC=C2)C1 HR103024 [0,0,0,1,0,0|2,0,0]=3 26 B15R2.325 O=C1CC(O)CN1CC2=CC=CC=C2 HR145853 [0,0,0,1,0,0|2,0,0]=3 27 B15R2.325 O=C1CC(O)CN1CC2=CC=CC=C2 HR145873 [0,0,0,1,0,0|2,0,0]=3 28 B15R2.325 O=C1CC(O)CN1CC2=CC=CC=C2 HR145874 [0,0,0,1,0,0|2,0,0]=3 29 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 HR112648 [0,0,0,0,1,0|1,0,1]=3 30 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 HR133328 [0,0,0,0,1,0|2,0,1]=4 31 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 HR134640 [0,0,0,0,1,0|0,0,0]=1 32 B13R1.348 CC(C)OC(=O)Nc1ccccc1 HR129112 [0,0,0,0,1,0|2,0,0]=3 33 B13R1.351 C=C(C)C(=O)OCC1=CC=CC=C1 HR129867 [0,0,0,0,1,0|0,0,2]=3 34 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 HR131272 [0,0,0,0,1,0|0,0,0]=1 35 B13R1.351 CC(N)C(=O)OCC1=CC=CC=C1 FACQ00104 [0,0,0,0,1,0|1,0,0]=2 36 B13R1.351 CC(N)C(=O)OCC1=CC=CC=C1 HR113776 [0,0,0,0,1,0|1,0,0]=2 37 B13R1.351 CC(N)C(=O)OCC1=CC=CC=C1 HR129727 [0,0,0,0,1,0|1,0,0]=2 38 B13R1.351 CC(N)C(=O)OCC1=CC=CC=C1 HR130358 [0,0,0,0,1,0|1,0,0]=2 39 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 HR111446 [0,0,0,0,1,0|1,0,0]=2 40 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 HR132909 [0,0,0,0,1,0|1,0,0]=2 41 B15R1.5919 CC(C)COC(=O)\C=C\C1=CC=CC=C1 HR133005 [0,0,0,0,0,1|1,0,1]=3 42 B15R1.5919 NC(=O)CNC(=O)OCc1ccccc1 HR116899 [0,0,0,0,0,1|2,0,1]=4 43 B15R1.9084 CC(C)CC(=O)OCCC1=CC=CC=C1 HR127233 [0,0,0,0,0,1|0,0,0]=1 44 B12R1.8 BrCCCOCC1=CC=CC=C1 HR114819 [2,0,0,0,0,0|1,0,1]=4 45 B12R1.8 CCCCCCC1=CC=CC=C1 HR143920 [2,0,0,0,0,0|1,0,1]=4 46 B12R1.8 CCCCOCC1=CC=CC=C1 HR130481 [2,0,0,0,0,0|0,0,1]=3 47 B12R1.8 OCCCOCC1=CC=CC=C1 HR130376 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 HR128829 [2,0,0,0,0,0|0,0,2]=4 49 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HR128344 [2,0,0,0,0,0|0,0,0]=2 50 B12R1.27 COC(=O)CCC1=CC=CC=C1 HR127854 [2,0,0,0,0,0|2,0,0]=4 51 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HR129987 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HR133000 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.27 NNC(=O)OCc1ccccc1 HR133486 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 HR108993 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 HR7461 [2,0,0,0,0,0|1,0,0]=3 56 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 HR119838 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 HR133264 [2,0,0,0,0,0|1,0,0]=3 58 B12R1.27 O=C(NO)OCC1=CC=CC=C1 HR143273 [2,0,0,0,0,0|2,0,0]=4 59 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 HR133522 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 HR111168 [1,1,0,0,0,0|2,0,0]=4 61 B14R1.60 CCOC(=O)C(=O)CC1=CC=CC=C1 HR103827 [1,1,0,0,0,0|2,0,0]=4 62 B14R1.60 CCOC(=O)C(N)CC1=CC=CC=C1 HR127097 [1,1,0,0,0,0|2,0,0]=4 63 B14R1.156 CCCOC(=O)\C=C\C1=CC=CC=C1 HR122798 [1,1,0,0,0,0|1,0,1]=4 64 B14R1.156 NCCNC(=O)OCc1ccccc1 HR115656 [1,1,0,0,0,0|1,0,0]=3 65 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 HR121446 [1,1,0,0,0,0|2,0,0]=4 66 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 HR32201 [1,1,0,0,0,0|2,0,0]=4 67 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 HR137980 [1,1,0,0,0,0|2,0,0]=4 68 B14R1.598 CCOC(=O)CCC1=C(Br)C=CC=C1 HR122074 [1,1,0,0,0,0|2,0,0]=4 69 B14R1.756 C\C=C(/C)C(=O)OCC1=CC=CC=C1 HR129516 [1,1,0,0,0,0|0,0,2]=4 70 B14R1.756 NC(CO)C(=O)OCC1=CC=CC=C1 HR108127 [1,1,0,0,0,0|1,0,0]=3 71 B14R1.756 NC(CO)C(=O)OCC1=CC=CC=C1 HR130895 [1,1,0,0,0,0|1,0,0]=3 72 B14R1.420 CC(C)CCOC(=O)C1=CC=CC=C1 HR133921 [1,1,0,0,0,0|0,0,2]=4 73 B14R1.423 CC(C)COC(=O)CC1=CC=CC=C1 HR132867 [1,1,0,0,0,0|2,0,0]=4 74 B14R1.337 CC(C)NC(=O)OC1=C(F)C=CC=C1 HR153589 [0,1,0,0,1,0|1,0,0]=3 75 B14R1.433 CC(C)(C)OC(=O)OC1=CC=CC=C1 HR106357 [0,1,0,0,1,0|1,0,0]=3 76 B14R1.5978 CC(C)OC(=O)Nc1cccc(Cl)c1 HR135515 [0,1,0,0,1,0|2,0,0]=4 77 B14R1.415 CC(C)C(=O)OC(C)C1=CC=CC=C1 HR107914 [0,1,0,0,1,0|0,0,0]=2 78 B16R1.1343 COC(=O)CNC(=O)OCC1=CC=CC=C1 HR143630 [0,1,0,0,0,1|1,0,1]=4 79 B16R1.1343 NCC(=O)CCC(=O)OCc1ccccc1 HR143412 [0,1,0,0,0,1|1,0,1]=4 80 B16R1.6944 CC(C)CC(N)C(=O)OCC1=CC=CC=C1 HR125982 [0,1,0,0,0,1|0,0,0]=2 81 B16R1.6944 CC(C)CC(N)C(=O)OCc1ccccc1 HR114092 [0,1,0,0,0,1|0,0,0]=2 82 B16R1.12547 CC(C)(C)OC(=O)NOCC1=CC=CC=C1 REJL03208 [0,1,0,0,0,1|1,0,0]=3 83 B16R1.7422 CC(C)(C)OC(=O)NCC1=C(Br)C=CC=C1 HR114781 [0,2,0,0,0,0|2,0,0]=4 84 B16R1.12572 CC(C)(C)OC(=O)C(N)CC1=CC=CC=C1 HR136135 [0,2,0,0,0,0|2,0,0]=4 85 B16R1.12572 CC(C)(C)OC(=O)C(N)CC1=CC=CC=C1 HR147624 [0,2,0,0,0,0|2,0,0]=4 86 B16R1.1672 CCC(C)C(N)C(=O)OCc1ccccc1 HR130098 [0,2,0,0,0,0|0,0,0]=2 87 B16R1.6742 CC(C)(C)OC(=O)CC(N)C1=CC=CC=C1 HR104306 [0,2,0,0,0,0|2,0,0]=4 88 B16R1.11198 CC(C)(C)OC(=O)NCC1=CC(Br)=CC=C1 HR143697 [0,2,0,0,0,0|2,0,0]=4 89 B16R1.11198 CC(C)(C)OC(=O)NCC1=CC(N)=CC=C1 HR115633 [0,2,0,0,0,0|2,0,0]=4 90 B14R2.21 O=C1CCCC(C2=CC=CC=C2)C1 HR108367 [1,0,0,1,0,0|1,0,0]=3 91 B14R2.21 O=C1CCNC(C2=CC=CC=C2)C1 HR121621 [1,0,0,1,0,0|2,0,0]=4 92 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 HR107107 [1,0,0,1,0,0|2,0,0]=4 93 B14R2.30 O=C1CCCN1CC2=CC=CC=C2 HR103948 [1,0,0,1,0,0|1,0,0]=3 94 B14R2.598 CC1NC(=O)OC1c2ccccc2 HR139441 [1,0,0,1,0,0|1,0,0]=3 95 B14R2.598 CC1NC(=O)OC1c2ccccc2 HR139538 [1,0,0,1,0,0|1,0,0]=3 96 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O HR130407 [0,0,0,1,1,0|2,0,0]=4 97 B16R2.3322 NC1CN(C(=O)OCC2=CC=CC=C2)C1 HR108424 [0,0,0,1,0,1|1,0,0]=3 98 B16R2.3322 O=C(OCC1=CC=CC=C1)C2CC(O)C2 HR116412 [0,0,0,1,0,1|1,0,0]=3 99 B16R2.3322 O=C(OCC1=CC=CC=C1)N2CC(O)C2 HR104510 [0,0,0,1,0,1|1,0,0]=3 100 B16R2.3322 O=C1CC(C(=O)OCC2=CC=CC=C2)C1 HR112084 [0,0,0,1,0,1|1,0,1]=4 101 B16R2.3322 O=C1CC(C(=O)OCc2ccccc2)N1 HR116955 [0,0,0,1,0,1|1,0,1]=4 102 B16R2.3322 O=C1CN(C(=O)OCC2=CC=CC=C2)C1 HR110599 [0,0,0,1,0,1|1,0,1]=4 103 B16R2.2400 NCC1CC(=O)N(Cc2ccccc2)C1 HR146226 [0,1,0,1,0,0|1,0,0]=3 104 B16R2.2400 O=C1CC(CO)CN1CC2=CC=CC=C2 HR115490 [0,1,0,1,0,0|1,0,0]=3 105 B16R2.44148 O=C(NC1CNC1)OCC2=CC=CC=C2 HR108741 [0,1,0,1,0,0|1,0,0]=3 106 B12R1.32 CCCC(=O)OC1=CC=CC=C1 HR119436 [1,0,0,0,1,0|0,0,0]=2 107 B12R1.32 CCCC(=O)OC1=CC=CC=C1 HR134591 [1,0,0,0,1,0|0,0,0]=2 108 B12R1.32 CCOC(=O)CC1=CC=CC=C1 HR133131 [1,0,0,0,1,0|1,0,0]=3 109 B12R1.32 CCOC(=O)CC1=CC=CN=C1 HR102621 [1,0,0,0,1,0|2,0,0]=4 110 B12R1.32 CCOC(=O)CC1=CC=NC=C1 HR114346 [1,0,0,0,1,0|2,0,0]=4 111 B12R1.32 CCOC(=O)CC1=NC=CC=C1 HR114031 [1,0,0,0,1,0|2,0,0]=4 112 B12R1.51 O=C(CCS)OCC1=CC=CO1 HR116879 [1,0,0,0,1,0|2,0,0]=4 113 B12R1.252 CC(O)COCc1ccccc1 HR109733 [1,0,0,0,1,0|1,0,0]=3 114 B12R1.43 C=C(C)C(=O)OC1=CC=CC=C1 HR138708 [0,0,0,0,2,0|0,0,2]=4 115 B12R1.43 CN(C)C(=O)Nc1ccccc1 HR140318 [0,0,0,0,2,0|2,0,0]=4 116 B12R1.43 CN(C)C(=O)OC1=CC=CN=C1 HR144037 [0,0,0,0,2,0|2,0,0]=4 117 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HR134134 [0,0,0,0,2,0|1,0,1]=4 118 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 HR101162 [0,0,0,0,2,0|0,0,0]=2 119 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 HR147366 [0,0,0,0,2,0|1,0,1]=4 120 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 HR109263 [1,0,0,0,0,1|0,0,0]=2 121 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 HR142528 [1,0,0,0,0,1|2,0,0]=4 122 B14R1.520 CCOC(=O)CCOC1=CC=CC=C1 HR135604 [1,0,0,0,0,1|2,0,0]=4 123 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 HR131871 [1,0,0,0,0,1|2,0,0]=4 124 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 HR117140 [1,0,0,0,0,1|1,0,0]=3 125 B14R1.422 CC(C)CCOCCC1=CC=CC=C1 HR109585 [1,0,0,0,0,1|0,0,1]=3 126 B14R1.4526 CC(C)COC(=O)CCC1=CC=CO1 HR130303 [0,0,0,0,1,1|2,0,0]=4 127 B16R1.608 CC(C)CCOC(=O)\C=C\C1=CC=CC=C1 HR133273 [0,0,0,0,0,2|1,0,1]=4 128 B16R1.6929 CC(=O)CC(=O)OC\C=C\C1=CC=CC=C1 HR105890 [0,0,0,0,0,2|1,0,1]=4 129 B16R1.6929 CC(C)CC(=O)OC\C=C\C1=CC=CC=C1 HR140031 [0,0,0,0,0,2|0,0,0]=2