0 B21R2.252202 O=C(C1=C(CCCC1)C(=O)O)NCCc2ccccc2 Amb1783325 [0,0,0,0,0,0|0,0,2]=2 1 B21R2.252202 O=C(C1CC=CCC1C(=O)O)NCCc2ccccc2 Amb10774540 [0,0,0,0,0,0|0,0,2]=2 2 B21R2.252202 O=C(C1CCCCC1C(=O)O)NCCc2ccncc2 Amb1061019 [0,0,0,0,0,0|1,0,0]=1 3 B21R2.252202 O=C([C@@H]1CCCC[C@@H]1C(=O)O)NCCc2ccccc2 Amb1834024 [0,0,0,0,0,0|0,0,0]=0 4 B21R2.252202 O=C([C@H]1CCCC[C@H]1C(=O)O)NCCC2=CCCCC2 Amb1779396 [0,0,0,0,0,0|0,0,4]=4 5 B21R2.252202 OC(=O)[C@H]1CCCCN1C(=O)CCCc2ccccc2 Amb24189425 [0,0,0,0,0,0|2,0,0]=2 6 B20R2.10733 OC(=O)C1CCCCC1CNCCc2ccc[n]c2 Amb24013608 [1,0,0,0,0,0|1,0,1]=3 7 B20R2.10733 OC(=O)C1CCCCC1CNCCc2ccccc2 Amb24013604 [1,0,0,0,0,0|0,0,1]=2 8 B20R2.18233 OCC1CCCCN1C(=S)NCCc2ccccc2 Amb1062928 [1,0,0,0,0,0|1,1,1]=4 9 B22R2.15382 O=C(C1CCCCC1C(=O)O)NCC(c2ccccc2)C Amb10775983 [0,1,0,0,0,0|0,0,0]=1 10 B22R2.15382 O=C([C@H]1CCCC[C@H]1C(=O)O)NNC(=O)c2ccncc2 Amb1953985 [0,1,0,0,0,0|2,0,1]=4 11 B22R2.139840 OC(=O)C=1CCCCC1C(=O)NCCc2cc(Cl)ccc2 Amb19662586 [0,1,0,0,0,0|0,0,2]=3 12 B22R2.309483 OC(=O)[C@@H]1C[C@H](O)CCN1C(=O)CCCc2ccccc2 Amb22820716 [0,1,0,0,0,0|2,0,0]=3 13 B22R2.352243 CC(Cc1ccccc1)NC(=O)C2CCCCC2C(O)=O Amb20207626 [0,1,0,0,0,0|0,0,0]=1 14 B22R2.359972 O=C(C1CCCCN1S(=O)(=O)C)NCCc2ccccc2 Amb10630750 [0,1,0,0,0,0|2,0,1]=4 15 B22R2.519238 O=C(C1CC=CCC1C(=O)O)NCCc2ccc(cc2)Cl Amb1553652 [0,1,0,0,0,0|0,0,2]=3 16 B22R2.519238 O=C(C1CCCCC1C(=O)O)NCCc2ccc(cc2)Cl Amb10776663 [0,1,0,0,0,0|0,0,0]=1 17 B22R2.519238 OC(=O)C=1CCCCC1C(=O)NCCc2ccc(Cl)cc2 Amb19662455 [0,1,0,0,0,0|0,0,2]=3 18 B22R2.534193 COC(=O)C1CCCCN1C(=O)CCOc2ccccc2 Amb20901726 [0,1,0,0,0,0|3,0,0]=4 19 B22R2.534193 COC(=O)C1CCCCN1C(=O)CCSc2ccccc2 Amb21637379 [0,1,0,0,0,0|3,0,0]=4 20 B22R2.534193 COC(=O)C1CCCCN1C(=O)COCc2ccccc2 Amb20901778 [0,1,0,0,0,0|3,0,0]=4 21 B20R1.11247 COCCN(CC(O)=O)C(=O)CCCc1ccccc1 Amb24821837 [0,0,1,0,0,0|3,0,0]=4 22 B20R1.11247 CSCCC(C(=O)NCCc1ccccc1)NC(=O)N Amb11214478 [0,0,1,0,0,0|3,0,0]=4 23 B20R1.61327 CC(=O)NCCCCCC(=O)NCCc1ccccc1 Amb21521938 [0,0,1,0,0,0|2,0,0]=3 24 B20R1.61327 CC(=O)NCCCCCC(=O)NOCc1ccccc1 Amb21432002 [0,0,1,0,0,0|3,0,0]=4 25 B20R1.61327 CC(=O)NCCCCCC(=O)OCCc1ccccc1 Amb21776651 [0,0,1,0,0,0|3,0,0]=4 26 B22R3.35950 OC(=O)[C@H]1CCCCN1C(=O)C2CSc3ccccc32 Amb24825068 [0,0,0,1,0,0|3,0,0]=4 27 B20R2.10746 CC(=O)C1CCCCN1C(=O)OCc2ccccc2 Amb25334719 [0,0,0,0,1,0|3,0,0]=4 28 B20R2.10746 CC(=O)[C@H]1CCCCN1C(=O)OCc2ccccc2 Amb24458887 [0,0,0,0,1,0|3,0,0]=4 29 B20R2.10746 NC(=O)C1CCCCN1C(=O)OCc2ccccc2 Amb19889548 [0,0,0,0,1,0|3,0,0]=4 30 B20R2.10746 NC(=O)[C@@H]1CCCCN1C(=O)OCc2ccccc2 Amb16232362 [0,0,0,0,1,0|3,0,0]=4 31 B20R2.10746 O=C(C1=C(CCCC1)C(=O)O)NCc2ccccc2 Amb1778820 [0,0,0,0,1,0|0,0,2]=3 32 B20R2.10746 O=C(C1=C(CCCC1)C(=O)O)NCc2ccccn2 Amb1787730 [0,0,0,0,1,0|1,0,2]=4 33 B20R2.10746 O=C(C1CC=CCC1C(=O)O)NNc2ccccc2 Amb2419351 [0,0,0,0,1,0|1,0,2]=4 34 B20R2.10746 O=C(C1CCCCC1C(=O)O)NCc2ccccc2 Amb10776661 [0,0,0,0,1,0|0,0,0]=1 35 B20R2.10746 OC(=O)C1CCCCN1C(=O)CCc2ccccc2 Amb1132614 [0,0,0,0,1,0|1,0,0]=2 36 B20R2.10746 OC(=O)C1CCCCN1C(=O)CSc2cccc[n]2 Amb20414364 [0,0,0,0,1,0|3,0,0]=4 37 B20R2.10746 OC(=O)C1COCCN1C(=O)NCc2cc[n]cc2 Amb24005396 [0,0,0,0,1,0|3,0,0]=4 38 B20R2.10746 OC(=O)C1COCCN1C(=O)NCc2cccc[n]2 Amb24005392 [0,0,0,0,1,0|3,0,0]=4 39 B20R2.10746 OC(=O)C1CSCCN1C(=O)OCc2ccccc2 Amb22262963 [0,0,0,0,1,0|3,0,0]=4 40 B20R2.10746 OC(=O)C=1CCCCC1C(=O)NCc2c[n]ccc2 Amb19662601 [0,0,0,0,1,0|1,0,2]=4 41 B20R2.10746 OC(=O)C=1CCCCC1C(=O)NNc2ccccc2 Amb22472567 [0,0,0,0,1,0|1,0,2]=4 42 B20R2.10746 OC(=O)[C@@H]1CCCCN1C(=O)CSc2cc[n]cc2 Amb24019583 [0,0,0,0,1,0|3,0,0]=4 43 B20R2.10746 OC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc2ccccc2 Amb18012000 [0,0,0,0,1,0|0,0,0]=1 44 B20R2.10746 OC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc2cccnc2 Amb17943691 [0,0,0,0,1,0|1,0,0]=2 45 B20R2.10746 OC(=O)[C@@H]1CNCCN1C(=O)OCc2ccccc2 Amb19516298 [0,0,0,0,1,0|3,0,0]=4 46 B20R2.10746 OC(=O)[C@@H]1CSCCN1C(=O)OCc2ccccc2 Amb22262936 [0,0,0,0,1,0|3,0,0]=4 47 B20R2.10746 OC(=O)[C@H]1CCCCN1C(=O)COc2ccccc2 Amb25421170 [0,0,0,0,1,0|2,0,0]=3 48 B20R2.10746 OC(=O)[C@H]1CCCCN1C(=O)CSc2ccccc2 Amb25421182 [0,0,0,0,1,0|2,0,0]=3 49 B20R2.10746 OC(=O)[C@H]1CNCCN1C(=O)OCc2ccccc2 Amb19515778 [0,0,0,0,1,0|3,0,0]=4 50 B20R2.10746 OC(=O)[C@H]1CSCCN1C(=O)OCc2ccccc2 Amb22262949 [0,0,0,0,1,0|3,0,0]=4 51 B20R2.170942 O=C(C1CCCN1C(=O)C)NCCc2ccccc2 Amb10614412 [0,0,0,0,1,0|2,0,0]=3 52 B20R2.170942 OC(=O)[C@@H]1CCCN1C(=O)CCCc2ccccc2 Amb25420035 [0,0,0,0,1,0|2,0,0]=3 53 B20R2.170942 OC(=O)[C@@H]1CCCN1C(=O)CCOc2ccccc2 Amb25420023 [0,0,0,0,1,0|3,0,0]=4 54 B20R2.170942 OC(=O)[C@@H]1CCCN1C(=O)CCSc2ccccc2 Amb25420065 [0,0,0,0,1,0|3,0,0]=4 55 B20R2.170942 OC(=O)[C@@H]1CCCN1C(=O)COCc2ccccc2 Amb25401199 [0,0,0,0,1,0|3,0,0]=4 56 B20R2.170942 OC(=O)[C@@H]1CCCN1C(=O)NCCc2ccccc2 Amb17042755 [0,0,0,0,1,0|1,0,0]=2 57 B20R2.173482 OC(=O)C1CCCCC1C(=O)NCC[n]2ccc[n]2 Amb23466499 [0,0,0,0,1,0|2,0,0]=3 58 B20R2.173482 OC(=O)C1CCCCC1C(=O)NCCc2[n]cc[s]2 Amb23964749 [0,0,0,0,1,0|2,0,0]=3 59 B20R2.173482 OC(=O)C1CCCCN1C(=O)NCCc2[n]cc[s]2 Amb23964928 [0,0,0,0,1,0|3,0,0]=4 60 B20R2.173482 OC(=O)C1CCCCN1C(=O)NCCc2c[s]cc2 Amb23928546 [0,0,0,0,1,0|2,0,0]=3 61 B20R2.173482 OC(=O)C1COCCN1C(=O)NCCc2c[s]cc2 Amb24005433 [0,0,0,0,1,0|3,0,0]=4 62 B20R2.173482 OC(=O)C1COCCN1C(=O)NCCc2ccc[s]2 Amb24005390 [0,0,0,0,1,0|3,0,0]=4 63 B22R2.357836 CC(=O)N1CCCCC1C(=O)NCCCc2c[n]ccc2 Amb24170001 [0,0,0,0,0,1|3,0,0]=4 64 B22R2.357836 OC(=O)C1CCCCN1C(=O)CCSCc2ccccc2 Amb20573529 [0,0,0,0,0,1|2,0,0]=3 65 B22R2.357836 OC(=O)C1CCCCN1C(=O)CC\C=C\c2ccccc2 Amb24261577 [0,0,0,0,0,1|2,0,1]=4 66 B22R2.357836 OC(=O)C1CCCCN1C(=O)COCCc2ccccc2 Amb25022804 [0,0,0,0,0,1|2,0,0]=3 67 B22R2.357836 OC(=O)C1COCCN1C(=O)CCCOc2ccccc2 Amb25017012 [0,0,0,0,0,1|3,0,0]=4 68 B22R2.359516 OC(=O)CC1COCCN1C(=O)CCCc2ccccc2 Amb25439961 [0,0,0,0,0,1|3,0,0]=4 69 B19R1.31338 CCCN(CC(O)=O)C(=O)CCCc1ccccc1 Amb25419714 [1,0,1,0,0,0|2,0,0]=4 70 B19R2.3387 OCC1CCCCC1CNCCc2ccccc2 Amb24011338 [2,0,0,0,0,0|0,0,2]=4 71 B21R1.10093 CCCCC(NC(N)=O)C(=O)NCC(N)c1ccccc1 Amb24920039 [0,1,1,0,0,0|2,0,0]=4 72 B21R1.7820 CC(=O)NCCCCCC(=O)NCCc1cccc(Cl)c1 Amb20702870 [0,1,1,0,0,0|2,0,0]=4 73 B21R1.8112 CC(=O)NCCCCCC(=O)NCCc1ccccc1F Amb20702357 [0,1,1,0,0,0|2,0,0]=4 74 B21R1.35052 CC(=O)NCCCCCC(=O)NCC(C)c1ccccc1 Amb21371881 [0,1,1,0,0,0|2,0,0]=4 75 B21R1.59973 CC(=O)NCCCCCC(=O)NCCc1ccc(F)cc1 Amb21521654 [0,1,1,0,0,0|2,0,0]=4 76 B21R1.59973 O=C(NCCCCCC(=O)O)CCCc1ccc(cc1)C Amb17561539 [0,1,1,0,0,0|2,0,0]=4 77 B21R1.59973 O=C(NCCCCCC(=O)O)CCCc1ccc(cc1)Cl Amb17561616 [0,1,1,0,0,0|2,0,0]=4 78 B21R1.11264 CCCCC(C(=O)O)NC(=O)CCCc1ccc(cc1)C Amb17561545 [0,1,1,0,0,0|2,0,0]=4 79 B21R1.11264 CSCCC(NC(=O)NCCc1ccc(Cl)cc1)C(O)=O Amb19846920 [0,1,1,0,0,0|2,0,0]=4 80 B21R1.11567 CC(CCC(=O)N[C@@H](CCCC)C(O)=O)c1ccccc1 Amb25628616 [0,1,1,0,0,0|2,0,0]=4 81 B21R2.13048 CC(Cc1ccccc1)C(=O)N2CCCCC2C(O)=O Amb24299222 [0,1,0,0,1,0|1,0,0]=3 82 B21R2.13048 CC(Cc1ccccc1)C(=O)N2CCCC[C@@H]2C(O)=O Amb24248539 [0,1,0,0,1,0|1,0,0]=3 83 B21R2.13048 CN(Cc1ccccc1)C(=O)C=2CCCCC2C(O)=O Amb19662695 [0,1,0,0,1,0|0,0,2]=4 84 B21R2.19470 Cc1ccc(CNC(=O)C=2CCCCC2C(O)=O)cc1 Amb19662591 [0,1,0,0,1,0|0,0,2]=4 85 B21R2.19470 O=C(C1CC=CCC1C(=O)O)NCc2ccc(cc2)C Amb2335633 [0,1,0,0,1,0|0,0,2]=4 86 B21R2.19470 O=C(C1CC=CCC1C(=O)O)NCc2ccc(cc2)Cl Amb10774999 [0,1,0,0,1,0|0,0,2]=4 87 B21R2.19470 O=C(C1CCCCC1C(=O)O)NCc2ccc(cc2)C Amb10774734 [0,1,0,0,1,0|0,0,0]=2 88 B21R2.19470 O=C(C1CCCCC1C(=O)O)NCc2ccc(cc2)Cl Amb10775981 [0,1,0,0,1,0|0,0,0]=2 89 B21R2.19470 OC(=O)C1CCCCN1C(=O)CCc2ccc(Br)cc2 Amb24844047 [0,1,0,0,1,0|1,0,0]=3 90 B21R2.19470 OC(=O)C1CCCCN1C(=O)COc2ccc(I)cc2 Amb24768034 [0,1,0,0,1,0|2,0,0]=4 91 B21R2.19470 OC(=O)C1COCCN1C(=O)CCc2ccc(Br)cc2 Amb25523279 [0,1,0,0,1,0|2,0,0]=4 92 B21R2.19470 OC(=O)C=1CCCCC1C(=O)NCc2ccc(F)cc2 Amb19662590 [0,1,0,0,1,0|0,0,2]=4 93 B21R2.19470 OC(=O)[C@H]1CCCCN1C(=O)CCc2ccc(F)cc2 Amb24189424 [0,1,0,0,1,0|1,0,0]=3 94 B21R2.21089 CNC(=O)C1CCCCN1C(=O)CCc2ccccc2 Amb10639997 [0,1,0,0,1,0|2,0,0]=4 95 B21R2.21089 COC(=O)C1CCCCN1C(=O)CCc2c[n]ccc2 Amb20901791 [0,1,0,0,1,0|2,0,0]=4 96 B21R2.21089 COC(=O)C1CCCCN1C(=O)CNc2ccccc2 Amb24819471 [0,1,0,0,1,0|2,0,0]=4 97 B21R2.21089 COC(=O)C1CCCCN1C(=O)COc2ccccc2 Amb20901695 [0,1,0,0,1,0|2,0,0]=4 98 B21R2.21089 COC(=O)C1CCCCN1C(=O)CSc2ccccc2 Amb10846349 [0,1,0,0,1,0|2,0,0]=4 99 B21R2.21089 COC(=O)C1CCCCN1C(=O)OCc2ccccc2 Amb13886215 [0,1,0,0,1,0|2,0,0]=4 100 B21R2.21089 COC(=O)[C@@H]1CCCCN1C(=O)OCc2ccccc2 Amb22504300 [0,1,0,0,1,0|2,0,0]=4 101 B21R2.21089 COC(=O)[C@H]1CCCCN1C(=O)OCc2ccccc2 Amb13886324 [0,1,0,0,1,0|2,0,0]=4 102 B21R2.107208 Cc1ccccc1CCC(=O)N2CCCCC2C(O)=O Amb24189351 [0,1,0,0,1,0|1,0,0]=3 103 B21R2.107208 NC(=O)C1CCCCN1C(=O)CCc2ccccc2N Amb24821776 [0,1,0,0,1,0|2,0,0]=4 104 B21R2.107208 OC(=O)C1CCCCN1C(=O)COc2ccccc2Br Amb24937692 [0,1,0,0,1,0|2,0,0]=4 105 B21R2.107208 OC(=O)C=1CCCCC1C(=O)NCc2ccccc2Cl Amb19662587 [0,1,0,0,1,0|0,0,2]=4 106 B21R2.222031 CC1CCCN(C1C(O)=O)C(=O)OCc2ccccc2 Amb22886554 [0,1,0,0,1,0|2,0,0]=4 107 B21R2.222491 OC(=O)C1CCCCN1C(=O)COc2cccc(I)c2 Amb25627984 [0,1,0,0,1,0|2,0,0]=4 108 B21R2.222491 OC(=O)C=1CCCCC1C(=O)NCc2cc(Cl)ccc2 Amb22481271 [0,1,0,0,1,0|0,0,2]=4 109 B21R2.225975 CC1CCN(C(C1)C(=O)O)C(=O)OCc2ccccc2 Amb13886170 [0,1,0,0,1,0|2,0,0]=4 110 B21R2.225975 OC(=O)C1CC(F)CCN1C(=O)OCc2ccccc2 Amb24672742 [0,1,0,0,1,0|2,0,0]=4 111 B21R2.225975 OC(=O)C1CC(O)CCN1C(=O)OCc2ccccc2 Amb25762806 [0,1,0,0,1,0|2,0,0]=4 112 B21R2.225975 OC(=O)[C@@H]1C[C@@H](F)CCN1C(=O)OCc2ccccc2 Amb22886516 [0,1,0,0,1,0|2,0,0]=4 113 B21R2.225975 OC(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OCc2ccccc2 Amb22886515 [0,1,0,0,1,0|2,0,0]=4 114 B21R2.225975 OC(=O)[C@@H]1C[C@H](F)CCN1C(=O)OCc2ccccc2 Amb25356076 [0,1,0,0,1,0|2,0,0]=4 115 B21R2.225975 OC(=O)[C@@H]1C[C@H](O)CCN1C(=O)CCc2ccc[n]c2 Amb22784267 [0,1,0,0,1,0|2,0,0]=4 116 B21R2.225975 OC(=O)[C@@H]1C[C@H](O)CCN1C(=O)OCc2ccccc2 Amb22886514 [0,1,0,0,1,0|2,0,0]=4 117 B21R2.226148 CC1CN(C(CC1)C(O)=O)C(=O)OCc2ccccc2 Amb22886550 [0,1,0,0,1,0|2,0,0]=4 118 B21R2.226148 OC(=O)C1CCC(F)CN1C(=O)OCc2ccccc2 Amb25297398 [0,1,0,0,1,0|2,0,0]=4 119 B21R2.226148 OC(=O)[C@@H]1CC[C@H](O)CN1C(=O)OCc2ccccc2 Amb25744783 [0,1,0,0,1,0|2,0,0]=4 120 B21R2.252192 NC(=O)C1CCCCN1C(=O)CC(N)c2ccccc2 Amb24819146 [0,1,0,0,1,0|2,0,0]=4 121 B21R2.252192 O=C(C1=C(CCCC1)C(=O)O)NC(c2ccccc2)C Amb1782255 [0,1,0,0,1,0|0,0,2]=4 122 B21R2.252192 O=C(C1CCCCC1C(=O)O)NC(c2ccccc2)C Amb2551875 [0,1,0,0,1,0|0,0,0]=2 123 B21R2.256669 CC1(CC=CCC1C(=O)NCc2ccccc2)C(O)=O Amb23457030 [0,1,0,0,1,0|0,0,2]=4 124 B21R2.256669 O=C(N1CCCCC1(C)C(=O)O)OCc2ccccc2 Amb13886375 [0,1,0,0,1,0|2,0,0]=4 125 B21R2.13104 CC(CCC(=O)N1CCCC1C(O)=O)c2ccccc2 Amb24975421 [0,1,0,0,1,0|2,0,0]=4 126 B21R2.13104 CC(CCC(=O)N1CCC[C@@H]1C(O)=O)c2ccccc2 Amb24974898 [0,1,0,0,1,0|2,0,0]=4 127 B21R2.13104 O=C(C1CCCN1C(=O)C)NCC(c2ccccc2)C Amb10614421 [0,1,0,0,1,0|2,0,0]=4 128 B21R2.103601 O=C(C1CCCN1C(=O)C)NCCc2cccc(c2)Cl Amb10614422 [0,1,0,0,1,0|2,0,0]=4 129 B21R2.358853 Cc1ccc(CCCC(=O)N2CCC[C@@H]2C(O)=O)cc1 Amb25021876 [0,1,0,0,1,0|2,0,0]=4 130 B21R2.358853 O=C(C1CCCN1C(=O)C)NCCc2ccc(cc2)Cl Amb10673556 [0,1,0,0,1,0|2,0,0]=4 131 B21R2.358853 OC(=O)C1CCCN1C(=O)CCCc2ccc(cc2)C Amb17561554 [0,1,0,0,1,0|2,0,0]=4 132 B21R2.358853 OC(=O)C1CCCN1C(=O)CCCc2ccc(cc2)Cl Amb17561627 [0,1,0,0,1,0|2,0,0]=4 133 B21R2.358853 OC(=O)[C@@H]1CCCN1C(=O)CCCc2ccc(Cl)cc2 Amb22415893 [0,1,0,0,1,0|2,0,0]=4 134 B21R2.96449 OC(=O)C1CCCCC1C(=O)NCC[n]2cc(Cl)c[n]2 Amb23468367 [0,1,0,0,1,0|2,0,0]=4 135 B23R2.17146 O=C(Nc1ccccc1)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O Amb1794455 [0,1,0,0,0,1|1,0,1]=4 136 B23R2.17146 OC(=O)C1CCCCC1C(=O)NNC(=O)Cc2ccccc2 Amb19556225 [0,1,0,0,0,1|0,0,1]=3 137 B23R2.17146 OC(=O)[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)Cc2ccccc2 Amb23501879 [0,1,0,0,0,1|0,0,1]=3 138 B23R2.174169 Cc1cc(ccc1)OCCCC(=O)N2CCCCC2C(O)=O Amb25445505 [0,1,0,0,0,1|2,0,0]=4 139 B23R2.174169 Cc1cc(ccc1)OCCCC(=O)N2CCCC[C@@H]2C(O)=O Amb25447051 [0,1,0,0,0,1|2,0,0]=4 140 B23R2.174169 OC(=O)C1CCCCN1C(=O)CCCOc2cccc(Br)c2 Amb25495369 [0,1,0,0,0,1|2,0,0]=4 141 B23R2.180038 Cc1ccccc1OCCCC(=O)N2CCCCC2C(O)=O Amb25445448 [0,1,0,0,0,1|2,0,0]=4 142 B23R2.180038 Cc1ccccc1OCCCC(=O)N2CCCC[C@@H]2C(O)=O Amb25447071 [0,1,0,0,0,1|2,0,0]=4 143 B23R2.182571 CC1CC(C(O)=O)N(CC1)C(=O)CCOCc2ccccc2 Amb25631676 [0,1,0,0,0,1|2,0,0]=4 144 B23R2.182571 CC1CC(C(O)=O)N(CC1)C(=O)COCCc2ccccc2 Amb25631739 [0,1,0,0,0,1|2,0,0]=4 145 B23R2.474960 CN(CCNC(=O)C1CC=CCC1C(O)=O)c2ccccc2 Amb22476874 [0,1,0,0,0,1|0,0,2]=4 146 B23R2.474967 CC(NC(=O)C1CCCCC1C(=O)O)CCc2ccccc2 Amb1806599 [0,1,0,0,0,1|0,0,0]=2 147 B23R2.474971 CC(CCCc1ccccc1)C(=O)N2CCCCC2C(O)=O Amb24937683 [0,1,0,0,0,1|2,0,0]=4 148 B23R2.474971 CC(CCCc1ccccc1)C(=O)N2CCCC[C@@H]2C(O)=O Amb25601174 [0,1,0,0,0,1|2,0,0]=4 149 B23R2.714879 OC(=O)C1CCCCN1C(=O)CCCOc2ccc(F)cc2 Amb25445447 [0,1,0,0,0,1|2,0,0]=4 150 B23R2.714879 OC(=O)C1CCCCN1C(=O)CCSCc2ccc(F)cc2 Amb20573282 [0,1,0,0,0,1|2,0,0]=4 151 B23R2.714879 OC(=O)[C@H]1CCCCN1C(=O)CCCOc2ccc(F)cc2 Amb25447095 [0,1,0,0,0,1|2,0,0]=4 152 B23R2.763305 COC(=O)C1CCCCN1C(=O)CCCOc2ccccc2 Amb20901675 [0,1,0,0,0,1|2,0,0]=4 153 B23R2.763305 COC(=O)N1CCCCC1C(=O)NCCCc2cccc[n]2 Amb23417579 [0,1,0,0,0,1|2,0,0]=4 154 B23R2.179646 Cc1ccccc1CCNC(=O)CN2CCCCC2C(O)=O Amb24872790 [0,1,0,0,0,1|1,0,0]=3 155 B23R2.475014 CC1(CCCCC1C(O)=O)NC(=O)CCSc2ccccc2 Amb24943524 [0,1,0,0,0,1|2,0,0]=4 156 B23R2.475014 CC1(CCCCC1C(O)=O)NC(=O)COCc2ccccc2 Amb24943824 [0,1,0,0,0,1|2,0,0]=4 157 B23R2.714612 OC(=O)C1CCCCN1CC(=O)NCCc2ccc(Cl)cc2 Amb24872835 [0,1,0,0,0,1|1,0,0]=3 158 B23R2.27973 CCC(=O)N1CCCCC1C(=O)NCC(N)c2ccccc2 Amb24918370 [0,2,0,0,0,0|2,0,0]=4 159 B23R2.180192 O=C([C@H]1CCCC[C@H]1C(=O)O)NNC(=O)c2ccccc2I Amb1777929 [0,2,0,0,0,0|1,0,1]=4 160 B23R2.397642 CC1CCN(C(C1)C(O)=O)C(=O)CCC(C)c2ccccc2 Amb25632401 [0,2,0,0,0,0|2,0,0]=4 161 B23R2.475325 CC(C)(CCC(=O)N1CCCCC1C(O)=O)c2ccccc2 Amb24938114 [0,2,0,0,0,0|2,0,0]=4 162 B23R2.1027884 CCC(CNC(=O)C1CCCCC1C(O)=O)c2ccccc2 Amb19878269 [0,2,0,0,0,0|0,0,0]=2 163 B23R2.158114 OC(=O)C=1CCCCC1C(=O)NCCc2cc(Cl)cc(Cl)c2 Amb22477229 [0,2,0,0,0,0|0,0,2]=4 164 B23R2.720949 OC(=O)C1CCCCN1C(=O)CCCc2cc(F)c(F)cc2 Amb24190317 [0,2,0,0,0,0|2,0,0]=4 165 B23R2.720949 OC(=O)[C@H]1CCCCN1C(=O)CCCc2cc(F)c(F)cc2 Amb24248533 [0,2,0,0,0,0|2,0,0]=4 166 B23R2.8245171 CC(Cc1cccc(F)c1)CC(=O)N2CCCCC2C(O)=O Amb24845197 [0,2,0,0,0,0|2,0,0]=4 167 B23R2.5166027 O=C(C1CC=CCC1C(=O)O)NCCc2ccc(cc2Cl)Cl Amb2357801 [0,2,0,0,0,0|0,0,2]=4 168 B23R2.714575 CC1CC(C(O)=O)N(CC1)C(=O)CCCc2ccc(Cl)cc2 Amb25631637 [0,2,0,0,0,0|2,0,0]=4 169 B23R2.714575 Cc1ccc(CCCC(=O)N2CCC(C)CC2C(O)=O)cc1 Amb25631557 [0,2,0,0,0,0|2,0,0]=4 170 B23R2.729025 CC(Cc1ccc(Cl)cc1)CC(=O)N2CCCCC2C(O)=O Amb24938131 [0,2,0,0,0,0|2,0,0]=4 171 B23R2.7946 COc1ccc(cc1)CCNC(=O)C2CCCCC2C(=O)O Amb10774735 [0,2,0,0,0,0|0,0,0]=2 172 B23R2.737259 CCC(=O)N1CCCCC1C(=O)NCCc2ccc(N)cc2 Amb24925171 [0,2,0,0,0,0|2,0,0]=4 173 B21R2.22310 CC(=O)NCCCCCC(=O)N1CCc2ccccc12 Amb21225235 [0,0,1,1,0,0|2,0,0]=4 174 B21R2.22310 OC(=O)CCCCCNC(=O)C1CCc2ccccc21 Amb25513126 [0,0,1,1,0,0|2,0,0]=4 175 B21R2.257290 OC(=O)CC1CCCN1C(=O)CCCc2ccccc2 Amb24821198 [0,0,1,1,0,0|2,0,0]=4 176 B21R2.270174 CCCCC(NC(=O)C1CCc2ccccc21)C(O)=O Amb24870118 [0,0,1,1,0,0|2,0,0]=4 177 B21R2.270174 CSCCC(NC(=O)N1CCc2ccccc12)C(O)=O Amb19880734 [0,0,1,1,0,0|2,0,0]=4 178 B21R2.270174 CSCC[C@@H](NC(=O)N1CCc2ccccc12)C(O)=O Amb18529492 [0,0,1,1,0,0|2,0,0]=4 179 B21R3.7942425 OC(=O)C1CC2CCC1N2CCCc3ccccc3 Amb24004469 [1,0,0,1,0,0|2,0,0]=4 180 B21R3.13199 O=C1C2CCCCC2C(=O)N1CNc3ccccc3 Amb1046686 [1,0,0,1,0,0|1,0,0]=3 181 B21R3.13199 O=C1N(CCc2ccccc2)C(=O)C3=C1CCCC3 Amb1810977 [1,0,0,1,0,0|0,0,2]=4 182 B21R3.40480 OC(=O)C1CCCCN1C(=O)C2Cc3ccccc32 Amb25421533 [0,0,0,1,1,0|1,0,0]=3 183 B21R3.40480 OC(=O)C1COCCN1C(=O)C2Cc3ccccc32 Amb25421615 [0,0,0,1,1,0|2,0,0]=4 184 B21R3.40480 OC(=O)[C@@H]1CCCCN1C(=O)C2Cc3ccccc32 Amb24023870 [0,0,0,1,1,0|1,0,0]=3 185 B21R3.40480 OC(=O)[C@H]1CCCCN1C(=O)C2Cc3ccccc32 Amb25421616 [0,0,0,1,1,0|1,0,0]=3 186 B21R3.7842514 OC(=O)C12CC1CCN2C(=O)OCc3ccccc3 Amb25810099 [0,0,0,1,1,0|2,0,0]=4 187 B21R3.7851241 OC(=O)C1C2CC2CN1C(=O)OCc3ccccc3 Amb24697764 [0,0,0,1,1,0|2,0,0]=4 188 B21R3.7851241 OC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)OCc3ccccc3 Amb25695578 [0,0,0,1,1,0|2,0,0]=4 189 B21R3.7942360 OC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)OCc3ccccc3 Amb24637036 [0,0,0,1,1,0|2,0,0]=4 190 B21R3.24313 OC(=O)C1CCCN1C(=O)N2CCc3ccccc23 Amb24809399 [0,0,0,1,1,0|1,0,0]=3 191 B21R3.24313 OC(=O)[C@@H]1CCCN1C(=O)C2CCc3ccccc32 Amb25574917 [0,0,0,1,1,0|2,0,0]=4 192 B21R3.24313 OC(=O)[C@@H]1CCCN1C(=O)N2CCc3c2cccc3 Amb17042785 [0,0,0,1,1,0|1,0,0]=3 193 B23R3.50477 OC(=O)C1CCCCC1C(=O)NC2COc3ccccc32 Amb25016986 [0,0,0,1,0,1|0,0,0]=2 194 B23R3.50477 OC(=O)C1COCCN1C(=O)CN2CCc3ccccc23 Amb25523083 [0,0,0,1,0,1|2,0,0]=4 195 B23R3.927698 OC(=O)C1CCCCC1C(=O)N2CCCc3c2cccc3 Amb2498512 [0,0,0,1,0,1|0,0,0]=2 196 B23R3.927698 OC(=O)[C@@H]1CCCC[C@@H]1C(=O)N2CCCc3c2cccc3 Amb1826251 [0,0,0,1,0,1|0,0,0]=2 197 B23R3.50449 NC(=O)C1CCCCN1CC(=O)N2CCc3c2cccc3 Amb166857 [0,0,0,1,0,1|2,0,0]=4 198 B23R3.50449 OC(=O)C1CCCCN1CC(=O)N2CCc3ccccc23 Amb25434762 [0,0,0,1,0,1|1,0,0]=3 199 B23R3.930124 OC(=O)C1CCCCC1C(=O)N2CCc3c(C2)cccc3 Amb1141584 [0,1,0,1,0,0|0,0,0]=2 200 B23R3.930124 OC(=O)C=1CCCCC1C(=O)N2Cc3ccccc3CC2 Amb19661553 [0,1,0,1,0,0|0,0,2]=4 201 B23R3.7924754 Cc1cc(ccc1)C2CC2C(=O)N3CCCCC3C(O)=O Amb24258007 [0,1,0,1,0,0|2,0,0]=4 202 B23R3.8292914 Cc1ccccc1C2CC2C(=O)N3CCCCC3C(O)=O Amb24299216 [0,1,0,1,0,0|2,0,0]=4 203 B23R3.8292914 Cc1ccccc1C2CC2C(=O)N3CCCC[C@@H]3C(O)=O Amb24246994 [0,1,0,1,0,0|2,0,0]=4 204 B23R3.17728 CC1CC(C(O)=O)N(CC1)C(=O)C2CCc3ccccc32 Amb25631842 [0,1,0,1,0,0|2,0,0]=4 205 B23R3.707366 CC1Cc2ccccc2N1C(=O)C3CCCCC3C(N)=O Amb19479656 [0,1,0,1,0,0|1,0,0]=3 206 B23R3.707366 CC1Cc2ccccc2N1C(=O)C=3CCCCC3C(O)=O Amb19662707 [0,1,0,1,0,0|0,0,2]=4 207 B23R3.24465684 OC(=O)[C@H]1CCCCN1C(=O)C2CC2c3ccc(F)cc3 Amb25658936 [0,1,0,1,0,0|2,0,0]=4 208 B19R1.11978 COCCN(CC(O)=O)C(=O)CCc1ccccc1 Amb24811439 [0,0,1,0,1,0|2,0,0]=4 209 B19R1.25728 CC(=O)NCCCCCC(=O)NCc1ccccc1 Amb21683344 [0,0,1,0,1,0|2,0,0]=4 210 B19R1.25728 O=C(CCc1ccccc1)NCCCCCC(=O)O Amb1134893 [0,0,1,0,1,0|1,0,0]=3 211 B19R1.25747 OC(=O)CCCCNC(=O)CCCc1ccccc1 Amb24814404 [0,0,1,0,1,0|2,0,0]=4 212 B19R1.49085 OC(=O)CCCCCNC(=O)NCCc1c[s]cc1 Amb23928542 [0,0,1,0,1,0|2,0,0]=4 213 B19R1.32771 CCCN(C(C)C(O)=O)C(=O)OCc1ccccc1 Amb24400876 [0,0,1,0,1,0|2,0,0]=4 214 B19R1.83743 CCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1 Amb10844850 [0,0,1,0,1,0|2,0,0]=4 215 B19R1.83743 CCCC[C@H](NC(=O)CCc1cc[n]cc1)C(O)=O Amb25427200 [0,0,1,0,1,0|2,0,0]=4 216 B19R1.83743 CCCC[C@H](NC(=O)CCc1cccc[n]1)C(O)=O Amb25427176 [0,0,1,0,1,0|2,0,0]=4 217 B19R1.83743 CCCC[C@H](NC(=O)CCc1ccccc1)C(O)=O Amb25427138 [0,0,1,0,1,0|1,0,0]=3 218 B19R1.83743 CCCC[C@H](NC(=O)COc1ccccc1)C(O)=O Amb25427173 [0,0,1,0,1,0|2,0,0]=4 219 B19R1.83743 CCCC[C@H](NC(=O)CSc1ccccc1)C(O)=O Amb25427118 [0,0,1,0,1,0|2,0,0]=4 220 B19R1.299734 CCCCC(NC(=O)NCCc1c[s]cc1)C(O)=O Amb23928551 [0,0,1,0,1,0|2,0,0]=4 221 B19R1.31485 CCC[C@@H](C(O)=O)N(C)C(=O)OCc1ccccc1 Amb22168223 [0,0,1,0,1,0|2,0,0]=4 222 B19R1.31485 CCC[C@H](C(O)=O)N(C)C(=O)OCc1ccccc1 Amb24423313 [0,0,1,0,1,0|2,0,0]=4 223 B19R2.8826 OC(=O)C1CCCCC1CNCc2ccc[n]c2 Amb24013590 [1,0,0,0,1,0|1,0,1]=4 224 B19R2.8826 OC(=O)C1CCCCN1CCCc2ccccc2 Amb25408972 [1,0,0,0,1,0|1,0,1]=4 225 B19R2.8870 OC(=O)C1CCCC1CNCCc2cc[n]cc2 Amb24013674 [1,0,0,0,1,0|1,0,1]=4 226 B19R2.8870 OC(=O)C1CCCC1CNCCc2ccc[n]c2 Amb24013669 [1,0,0,0,1,0|1,0,1]=4 227 B19R2.8870 OC(=O)C1CCCC1CNCCc2cccc[n]2 Amb24013675 [1,0,0,0,1,0|1,0,1]=4 228 B19R2.8870 OC(=O)C1CCCC1CNCCc2ccccc2 Amb24013661 [1,0,0,0,1,0|0,0,1]=3 229 B19R2.3421 O=C(NCc1ccccc1)C2CCCCN2C=O Amb25380905 [1,0,0,0,1,0|1,0,0]=3 230 B19R2.3421 O=C(NCc1ccccc1)[C@@H]2CCCCN2C=O Amb24763433 [1,0,0,0,1,0|1,0,0]=3 231 B19R2.3421 O=C[C@H]1CCCCN1C(=O)OCc2ccccc2 Amb17609221 [1,0,0,0,1,0|2,0,0]=4 232 B19R2.17097 NCC1CCCC1C(=O)NCCc2ccccc2 Amb24013769 [1,0,0,0,1,0|1,0,1]=4 233 B19R2.17097 OC[C@@H]1CCCN1C(=O)NCCc2ccccc2 Amb19351317 [1,0,0,0,1,0|1,0,1]=4 234 B19R2.8825 CN(Cc1ccccc1)C2CCCCC2C(O)=O Amb24758298 [0,0,0,0,2,0|2,0,0]=4 235 B19R2.8825 O=C(C1CC=CCC1C(=O)O)Nc2ccccc2 Amb2569713 [0,0,0,0,2,0|0,0,2]=4 236 B19R2.8825 O=C(C1CCCCC1C(=O)O)Nc2ccccc2 Amb10774984 [0,0,0,0,2,0|0,0,0]=2 237 B19R2.8825 OC(=O)C1CCCCC1C(=O)Nc2ccncc2 Amb17737000 [0,0,0,0,2,0|1,0,0]=3 238 B19R2.8825 OC(=O)C1CCCCN1C(=O)Nc2ccccc2 Amb1109807 [0,0,0,0,2,0|1,0,0]=3 239 B19R2.8825 OC(=O)[C@@H]1CCCCN1C(=O)Cc2cccc[n]2 Amb24019590 [0,0,0,0,2,0|2,0,0]=4 240 B19R2.8825 OC(=O)[C@@H]1CCCC[C@H]1C(=O)Cc2ccccc2 Amb23558940 [0,0,0,0,2,0|0,0,0]=2 241 B19R2.8825 OC(=O)[C@H]1CNCC[C@@H]1C(=O)Nc2ccccc2 Amb24062234 [0,0,0,0,2,0|1,0,0]=3 242 B19R2.8883 CC(=O)N1CCC[C@@H]1C(=O)NCc2ccccc2 Amb18500433 [0,0,0,0,2,0|2,0,0]=4 243 B19R2.8883 OC(=O)C1CCCC1C(=O)NCc2ccccc2 Amb25376326 [0,0,0,0,2,0|0,0,0]=2 244 B19R2.8883 OC(=O)C1CCCN1C(=O)CCc2ccccc2 Amb1126109 [0,0,0,0,2,0|1,0,0]=3 245 B19R2.8883 OC(=O)C1CCCN1C(=O)NCc2ccccc2 Amb24762910 [0,0,0,0,2,0|1,0,0]=3 246 B19R2.8883 OC(=O)C1CCCN1C(=O)OCc2ccccc2 Amb2222708 [0,0,0,0,2,0|2,0,0]=4 247 B19R2.8883 OC(=O)[C@@H]1CCCN1C(=O)NCc2ccccc2 Amb17042740 [0,0,0,0,2,0|1,0,0]=3 248 B19R2.8883 OC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2 Amb2236164 [0,0,0,0,2,0|2,0,0]=4 249 B19R2.8883 OC(=O)[C@@H]1CSCN1C(=O)NCc2ccccc2 Amb23928132 [0,0,0,0,2,0|2,0,0]=4 250 B19R2.8883 OC(=O)[C@H]1CCCN1C(=O)CNc2ccccc2 Amb25410458 [0,0,0,0,2,0|2,0,0]=4 251 B19R2.8883 OC(=O)[C@H]1CCC[C@@H]1C(=O)OCc2ccccc2 Amb24076304 [0,0,0,0,2,0|1,0,0]=3 252 B19R2.111163 O=C(C1CCCCC1C(=O)O)NCc2ccco2 Amb2233224 [0,0,0,0,2,0|1,0,0]=3 253 B19R2.113474 OC(=O)[C@@H]1CCCN1C(=O)NCCc2cccs2 Amb17042754 [0,0,0,0,2,0|2,0,0]=4 254 B21R1.35461 CC(=O)NCCCCCC(=O)NCCSc1ccccc1 Amb21625100 [0,0,1,0,0,1|2,0,0]=4 255 B21R1.279881 CCCCC(NC(=O)CCOCc1ccccc1)C(O)=O Amb24871336 [0,0,1,0,0,1|2,0,0]=4 256 B21R1.279881 CCCCC(NC(=O)COCCc1ccccc1)C(O)=O Amb24871851 [0,0,1,0,0,1|2,0,0]=4 257 B21R2.22510 OC(=O)CC1CSCCN1C(=O)CCc2ccccc2 Amb24819709 [0,0,0,0,1,1|2,0,0]=4 258 B21R2.22510 OC(=O)C[C@H]1CCCCN1C(=O)OCc2ccccc2 Amb25107610 [0,0,0,0,1,1|2,0,0]=4 259 B21R2.255217 OC(=O)C1CN(CCCC1)C(=O)OCc2ccccc2 Amb25789011 [0,0,0,0,1,1|2,0,0]=4 260 B21R2.256055 OC(=O)C1CCCCCN1C(=O)OCc2ccccc2 Amb24649421 [0,0,0,0,1,1|2,0,0]=4 261 B21R2.256055 OC(=O)[C@@H]1COCCCN1C(=O)OCc2ccccc2 Amb24620273 [0,0,0,0,1,1|2,0,0]=4 262 B21R2.256055 OC(=O)[C@H]1COCCCN1C(=O)OCc2ccccc2 Amb24752445 [0,0,0,0,1,1|2,0,0]=4 263 B21R2.12990 OC(=O)C1CN(CCC1)C(=O)NCCc2cc[n]cc2 Amb24822411 [0,0,0,0,1,1|2,0,0]=4 264 B21R2.257219 OC(=O)[C@@H]1CCCN1C(=O)CCOCc2ccccc2 Amb24907760 [0,0,0,0,1,1|2,0,0]=4 265 B21R2.257219 OC(=O)[C@@H]1CCCN1C(=O)COCCc2ccccc2 Amb24907354 [0,0,0,0,1,1|2,0,0]=4 266 B21R2.257219 OC(=O)[C@H]1CCCN1C(=O)CCOCc2ccccc2 Amb25021814 [0,0,0,0,1,1|2,0,0]=4 267 B21R2.257219 OC(=O)[C@H]1CCCN1C(=O)COCCc2ccccc2 Amb25021730 [0,0,0,0,1,1|2,0,0]=4 268 B23R2.474955 O=C(C1CCCCC1C(=O)O)NCCCCc2ccccc2 Amb10776664 [0,0,0,0,0,2|0,0,0]=2 269 B23R2.475111 O=C(CN1CCCCC1C(=O)N)NCCOc2ccccc2 Amb10616685 [0,0,0,0,0,2|2,0,0]=4 270 B23R2.475111 O=C(CN1CCCCC1C(=O)O)OCCOc2ccccc2 Amb17561129 [0,0,0,0,0,2|2,0,0]=4 271 B23R2.813547 OC(=O)CC1CCCCN1C(=O)CCSCc2ccccc2 Amb24149343 [0,0,0,0,0,2|2,0,0]=4 272 B23R2.467780 OC(=O)CCC1CCCCN1C(=O)CCCc2ccccc2 Amb25017557 [0,0,0,0,0,2|2,0,0]=4