0 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.8 C#CCCC(O)C(=O)O MCULE-1983462487 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.8 C#CCOC(C)C(=O)O MCULE-7792481116 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.8 C=CCCC(=O)C(=O)O MCULE-8012003653 [0,0,0,0,0,0|1,0,3]=4 12 B8R0.8 C=CCCC(C)C(=O)N MCULE-4187602833 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [0,0,0,0,0,0|2,0,1]=3 19 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [0,0,0,0,0,0|2,0,1]=3 20 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [0,0,0,0,0,0|2,0,1]=3 21 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [0,0,0,0,0,0|2,0,1]=3 22 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [0,0,0,0,0,0|2,0,1]=3 24 B8R0.8 C=CCOC(C)C(=O)O MCULE-4801958900 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.8 C=CCSC(C)C(=O)O MCULE-4683246165 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.8 CC#CCC(N)C(=O)O MCULE-2943446929 [0,0,0,0,0,0|2,0,1]=3 27 B8R0.8 CC#CCC(N)C(=O)O MCULE-8126081664 [0,0,0,0,0,0|2,0,1]=3 28 B8R0.8 CC#CC[C@@H](N)C(=O)O MCULE-5156383275 [0,0,0,0,0,0|2,0,1]=3 29 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-4618959735 [0,0,0,0,0,0|2,0,1]=3 30 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-7818390064 [0,0,0,0,0,0|2,0,1]=3 31 B8R0.8 CC(=O)C(C)CCC#N MCULE-1571826766 [0,0,0,0,0,0|4,0,0]=4 32 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [0,0,0,0,0,0|3,0,0]=3 33 B8R0.8 CC(OCCN)C(=O)O MCULE-4117277894 [0,0,0,0,0,0|4,0,0]=4 34 B8R0.8 CC(OCCN)C(=O)O MCULE-6407651037 [0,0,0,0,0,0|4,0,0]=4 35 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [0,0,0,0,0,0|4,0,0]=4 36 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [0,0,0,0,0,0|2,0,2]=4 37 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [0,0,0,0,0,0|2,0,2]=4 38 B8R0.8 CCCCC(=O)C(=O)C MCULE-5957201570 [0,0,0,0,0,0|2,0,2]=4 39 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [0,0,0,0,0,0|1,0,2]=3 40 B8R0.8 CCCCC(=O)C(=O)[O-] MCULE-4575533706 [0,0,0,0,0,0|1,0,3]=4 41 B8R0.8 CCCCC(Br)C(=O)N MCULE-9831415558 [0,0,0,0,0,0|3,0,0]=3 42 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [0,0,0,0,0,0|2,0,0]=2 43 B8R0.8 CCCCC(C)C(=O)C MCULE-2303839464 [0,0,0,0,0,0|3,0,0]=3 44 B8R0.8 CCCCC(C)C(=O)Cl MCULE-1718383314 [0,0,0,0,0,0|3,0,0]=3 45 B8R0.8 CCCCC(C)C(=O)N MCULE-6062124512 [0,0,0,0,0,0|3,0,0]=3 46 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [0,0,0,0,0,0|2,0,0]=2 47 B8R0.8 CCCCC(C)C(C)O MCULE-2881990446 [0,0,0,0,0,0|3,0,1]=4 48 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [0,0,0,0,0,0|2,0,0]=2 49 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [0,0,0,0,0,0|3,0,0]=3 50 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [0,0,0,0,0,0|3,0,0]=3 51 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [0,0,0,0,0,0|2,0,0]=2 52 B8R0.8 CCCCC(N)C(C)O MCULE-3645367149 [0,0,0,0,0,0|3,0,1]=4 53 B8R0.8 CCCCC(N)C(C)O MCULE-4512291097 [0,0,0,0,0,0|3,0,1]=4 54 B8R0.8 CCCCC(O)C(=O)N MCULE-1063256537 [0,0,0,0,0,0|2,0,0]=2 55 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [0,0,0,0,0,0|1,0,0]=1 56 B8R0.8 CCCCC(O)C(C)C MCULE-3997068945 [0,0,0,0,0,0|3,0,1]=4 57 B8R0.8 CCCCN(C)C(=O)Cl MCULE-6884962631 [0,0,0,0,0,0|4,0,0]=4 58 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [0,0,0,0,0,0|2,0,0]=2 59 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [0,0,0,0,0,0|2,0,0]=2 60 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [0,0,0,0,0,0|2,0,0]=2 61 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [0,0,0,0,0,0|2,0,0]=2 62 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [0,0,0,0,0,0|2,0,0]=2 63 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [0,0,0,0,0,0|3,0,0]=3 64 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [0,0,0,0,0,0|3,0,0]=3 65 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [0,0,0,0,0,0|3,0,0]=3 66 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [0,0,0,0,0,0|3,0,0]=3 67 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [0,0,0,0,0,0|2,0,0]=2 68 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [0,0,0,0,0,0|2,0,0]=2 69 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [0,0,0,0,0,0|2,0,2]=4 70 B8R0.8 CCCOC(C)C(=O)O MCULE-4477829415 [0,0,0,0,0,0|3,0,0]=3 71 B8R0.8 CCNCC(C)C(=O)O MCULE-3863191122 [0,0,0,0,0,0|3,0,0]=3 72 B8R0.8 CCNCC(C)C(=O)O MCULE-4164323563 [0,0,0,0,0,0|3,0,0]=3 73 B8R0.8 CCOCC(C)C(=O)O MCULE-5346959026 [0,0,0,0,0,0|3,0,0]=3 74 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [0,0,0,0,0,0|3,0,0]=3 75 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [0,0,0,0,0,0|3,0,0]=3 76 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [0,0,0,0,0,0|3,0,0]=3 77 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [0,0,0,0,0,0|3,0,0]=3 78 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [0,0,0,0,0,0|3,0,0]=3 79 B8R0.8 CNCCN(C)C(=O)C MCULE-7429681700 [0,0,0,0,0,0|4,0,0]=4 80 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [0,0,0,0,0,0|1,1,0]=2 81 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [0,0,0,0,0,0|2,1,0]=3 82 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [0,0,0,0,0,0|2,1,0]=3 83 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [0,0,0,0,0,0|1,1,0]=2 84 B8R0.8 COCCC(O)C(C)C MCULE-8987535377 [0,0,0,0,0,0|2,1,1]=4 85 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [0,0,0,0,0,0|1,1,0]=2 86 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [0,0,0,0,0,0|1,1,0]=2 87 B8R0.8 CSCCC(=O)C(=O)O MCULE-6752350933 [0,0,0,0,0,0|0,0,2]=2 88 B8R0.8 CSCCC(=O)C(=O)[O-] MCULE-4931776455 [0,0,0,0,0,0|0,0,3]=3 89 B8R0.8 CSCCC(N)C(=O)N MCULE-8379409756 [0,0,0,0,0,0|2,0,0]=2 90 B8R0.8 CSCCC(N)C(=O)N MCULE-9130755274 [0,0,0,0,0,0|2,0,0]=2 91 B8R0.8 CSCCC(N)C(=O)N MCULE-9536539093 [0,0,0,0,0,0|2,0,0]=2 92 B8R0.8 CSCCC(N)C(=O)N MCULE-9630072876 [0,0,0,0,0,0|2,0,0]=2 93 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [0,0,0,0,0,0|1,0,0]=1 94 B8R0.8 CSCCC(O)C(=O)N MCULE-9019971815 [0,0,0,0,0,0|1,0,0]=1 95 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [0,0,0,0,0,0|0,0,0]=0 96 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [0,0,0,0,0,0|1,0,0]=1 97 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [0,0,0,0,0,0|1,0,0]=1 98 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-2405585602 [0,0,0,0,0,0|1,0,1]=2 99 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-6869616866 [0,0,0,0,0,0|1,0,1]=2 100 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-1318828477 [0,0,0,0,0,0|2,0,0]=2 101 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-2645914311 [0,0,0,0,0,0|2,0,0]=2 102 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-4676970409 [0,0,0,0,0,0|2,0,0]=2 103 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-6619857551 [0,0,0,0,0,0|2,0,0]=2 104 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [0,0,0,0,0,0|1,0,0]=1 105 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [0,0,0,0,0,0|1,0,0]=1 106 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [0,0,0,0,0,0|1,0,0]=1 107 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [0,0,0,0,0,0|1,1,0]=2 108 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [0,0,0,0,0,0|1,1,0]=2 109 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [0,0,0,0,0,0|1,1,0]=2 110 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [0,0,0,0,0,0|3,0,0]=3 111 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [0,0,0,0,0,0|3,0,0]=3 112 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [0,0,0,0,0,0|3,0,0]=3 113 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [0,0,0,0,0,0|3,0,0]=3 114 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [0,0,0,0,0,0|3,0,0]=3 115 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [0,0,0,0,0,0|3,0,0]=3 116 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [0,0,0,0,0,0|3,0,0]=3 117 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [0,0,0,0,0,0|3,0,0]=3 118 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [0,0,0,0,0,0|3,0,0]=3 119 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [0,0,0,0,0,0|3,0,0]=3 120 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [0,0,0,0,0,0|3,0,0]=3 121 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [0,0,0,0,0,0|3,0,0]=3 122 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [0,0,0,0,0,0|3,0,0]=3 123 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [0,0,0,0,0,0|3,0,0]=3 124 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [0,0,0,0,0,0|3,0,0]=3 125 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [0,0,0,0,0,0|3,0,0]=3 126 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [0,0,0,0,0,0|3,0,0]=3 127 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [0,0,0,0,0,0|2,1,0]=3 128 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [0,0,0,0,0,0|2,1,0]=3 129 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [0,0,0,0,0,0|2,1,0]=3 130 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [0,0,0,0,0,0|2,1,0]=3 131 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [0,0,0,0,0,0|3,0,0]=3 132 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [0,0,0,0,0,0|3,0,0]=3 133 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [0,0,0,0,0,0|2,0,0]=2 134 B8R0.8 O=C([O-])C(O)CCCO MCULE-5137868319 [0,0,0,0,0,0|2,0,1]=3 135 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [0,0,0,0,0,0|2,0,1]=3 136 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [0,0,0,0,0,0|2,1,0]=3 137 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4562460888 [0,0,0,0,0,0|4,0,0]=4 138 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4736712462 [0,0,0,0,0,0|4,0,0]=4 139 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-6764345986 [0,0,0,0,0,0|4,0,0]=4 140 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-1901194070 [0,0,0,0,0,0|4,0,0]=4 141 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-2129950967 [0,0,0,0,0,0|4,0,0]=4 142 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-4531641107 [0,0,0,0,0,0|4,0,0]=4 143 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-9554569949 [0,0,0,0,0,0|4,0,0]=4 144 B8R0.8 [N-]=[N+]=NC[C@H](O)C(=O)O MCULE-8751271425 [0,0,0,0,0,0|3,0,0]=3 145 B7R0.3 C#CC(O)CCCC MCULE-8547184224 [1,0,0,0,0,0|2,0,1]=4 146 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [1,0,0,0,0,0|2,0,1]=4 147 B7R0.3 C=CC(O)CCCC MCULE-1674668011 [1,0,0,0,0,0|2,0,0]=3 148 B7R0.3 C=CCC[C@@H](O)CO MCULE-6352864696 [1,0,0,0,0,0|1,0,2]=4 149 B7R0.3 CC(C=O)CCC#N MCULE-6355316754 [1,0,0,0,0,0|3,0,0]=4 150 B7R0.3 CCC(O)CCOC MCULE-1245099360 [1,0,0,0,0,0|1,1,1]=4 151 B7R0.3 CCCCC(Cl)C=O MCULE-7474969991 [1,0,0,0,0,0|2,0,0]=3 152 B7R0.3 CCCCC(N)CO MCULE-1874423109 [1,0,0,0,0,0|2,0,1]=4 153 B7R0.3 CCCCC(N)CO MCULE-2041767659 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.3 CCCCC(N)CO MCULE-4533575851 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.3 CCCCC(N)CO MCULE-7141990411 [1,0,0,0,0,0|2,0,1]=4 156 B7R0.3 CCCCC(O)CBr MCULE-8416535559 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.3 CCCCC(O)CC MCULE-3912386534 [1,0,0,0,0,0|2,0,1]=4 158 B7R0.3 CCCCC(O)CN MCULE-1383380728 [1,0,0,0,0,0|2,0,1]=4 159 B7R0.3 CCCCC(O)CO MCULE-6903923961 [1,0,0,0,0,0|1,0,1]=3 160 B7R0.3 CCCC[C@@H](N)CO MCULE-1379297850 [1,0,0,0,0,0|2,0,1]=4 161 B7R0.3 CCCC[C@@H](N)CO MCULE-5016786633 [1,0,0,0,0,0|2,0,1]=4 162 B7R0.3 CCCC[C@@H](N)CO MCULE-6669873658 [1,0,0,0,0,0|2,0,1]=4 163 B7R0.3 CCCC[C@@H](N)CO MCULE-6809294141 [1,0,0,0,0,0|2,0,1]=4 164 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [1,0,0,0,0,0|2,0,0]=3 165 B7R0.3 CCCC[C@H](N)CO MCULE-3277509271 [1,0,0,0,0,0|2,0,1]=4 166 B7R0.3 CCCC[C@H](N)CO MCULE-5867397890 [1,0,0,0,0,0|2,0,1]=4 167 B7R0.3 CCOCC(O)CO MCULE-2728952355 [1,0,0,0,0,0|2,0,1]=4 168 B7R0.3 CNC(C)CCSC MCULE-2095620023 [1,0,0,0,0,0|3,0,0]=4 169 B7R0.3 COCCC(N)CO MCULE-9758817920 [1,0,0,0,0,0|1,1,1]=4 170 B7R0.3 CSCCC(N)CO MCULE-1688371230 [1,0,0,0,0,0|1,0,1]=3 171 B7R0.3 CSCCC(O)C#N MCULE-3484786988 [1,0,0,0,0,0|1,0,1]=3 172 B7R0.3 CSCCC(O)CN MCULE-3835830442 [1,0,0,0,0,0|1,0,1]=3 173 B7R0.3 CSCC[C@@H](N)CO MCULE-2764794918 [1,0,0,0,0,0|1,0,1]=3 174 B7R0.3 CSCC[C@@H](N)CO MCULE-7120101109 [1,0,0,0,0,0|1,0,1]=3 175 B7R0.3 CSCC[C@H](N)CN MCULE-6460179286 [1,0,0,0,0,0|2,0,1]=4 176 B7R0.3 CSCC[C@H](N)CO MCULE-6014525130 [1,0,0,0,0,0|1,0,1]=3 177 B7R0.3 CSCC[C@H](N)CO MCULE-9216326176 [1,0,0,0,0,0|1,0,1]=3 178 B7R0.3 OCCCC(O)CO MCULE-3529953491 [1,0,0,0,0,0|2,0,1]=4 179 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [1,0,0,0,0,0|2,0,1]=4 180 B7R0.4 C#CCCCC(=O)Cl MCULE-8504740573 [1,0,0,0,0,0|2,0,1]=4 181 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [1,0,0,0,0,0|2,0,1]=4 182 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [1,0,0,0,0,0|1,0,1]=3 183 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [1,0,0,0,0,0|2,0,1]=4 184 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [1,0,0,0,0,0|2,0,1]=4 185 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [1,0,0,0,0,0|2,0,1]=4 186 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [1,0,0,0,0,0|2,0,1]=4 187 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [1,0,0,0,0,0|1,0,2]=4 188 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,0,0,0,0,0|1,0,2]=4 189 B7R0.4 C=C(Br)CCCCC MCULE-3049831354 [1,0,0,0,0,0|3,0,0]=4 190 B7R0.4 C=C(C)CCCCC MCULE-6108413722 [1,0,0,0,0,0|3,0,0]=4 191 B7R0.4 C=C(Cl)CCCCC MCULE-5074452982 [1,0,0,0,0,0|3,0,0]=4 192 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [1,0,0,0,0,0|1,0,2]=4 193 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [1,0,0,0,0,0|2,0,1]=4 194 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,0,0,0,0,0|1,0,1]=3 195 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [1,0,0,0,0,0|2,0,1]=4 196 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [1,0,0,0,0,0|2,0,1]=4 197 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [1,0,0,0,0,0|2,0,1]=4 198 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [1,0,0,0,0,0|2,0,1]=4 199 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [1,0,0,0,0,0|1,0,1]=3 200 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [1,0,0,0,0,0|3,0,0]=4 201 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [1,0,0,0,0,0|3,0,0]=4 202 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [1,0,0,0,0,0|3,0,0]=4 203 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,0,0,0,0,0|3,0,0]=4 204 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,0,0,0,0,0|1,0,1]=3 205 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,0,0,0,0,0|1,0,2]=4 206 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [1,0,0,0,0,0|1,0,2]=4 207 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [1,0,0,0,0,0|1,0,2]=4 208 B7R0.4 CCCCCB(O)O MCULE-3441747739 [1,0,0,0,0,0|2,0,1]=4 209 B7R0.4 CCCCCC(=N)N MCULE-4874167268 [1,0,0,0,0,0|3,0,0]=4 210 B7R0.4 CCCCCC(=N)N MCULE-6942690708 [1,0,0,0,0,0|3,0,0]=4 211 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [1,0,0,0,0,0|2,0,0]=3 212 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [1,0,0,0,0,0|2,0,0]=3 213 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [1,0,0,0,0,0|2,0,0]=3 214 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,0,0,0,0,0|1,0,0]=2 215 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [1,0,0,0,0,0|1,0,1]=3 216 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [1,0,0,0,0,0|1,0,1]=3 217 B7R0.4 CCCCCC(=S)N MCULE-7633089850 [1,0,0,0,0,0|2,1,0]=4 218 B7R0.4 CCCCCC(C)O MCULE-2463855771 [1,0,0,0,0,0|2,0,1]=4 219 B7R0.4 CCCCCN(=O)=O MCULE-6853489453 [1,0,0,0,0,0|2,0,1]=4 220 B7R0.4 CCCCC[C@@H](C)O MCULE-1984852239 [1,0,0,0,0,0|2,0,1]=4 221 B7R0.4 CCCCC[C@@H](C)O MCULE-2769933740 [1,0,0,0,0,0|2,0,1]=4 222 B7R0.4 CCCCC[C@H](C)O MCULE-2305379902 [1,0,0,0,0,0|2,0,1]=4 223 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [1,0,0,0,0,0|2,0,1]=4 224 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [1,0,0,0,0,0|3,0,0]=4 225 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [1,0,0,0,0,0|3,0,0]=4 226 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [1,0,0,0,0,0|3,0,0]=4 227 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [1,0,0,0,0,0|3,0,0]=4 228 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [1,0,0,0,0,0|3,0,0]=4 229 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [1,0,0,0,0,0|3,0,0]=4 230 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [1,0,0,0,0,0|3,0,0]=4 231 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [1,0,0,0,0,0|3,0,0]=4 232 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [1,0,0,0,0,0|3,0,0]=4 233 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [1,0,0,0,0,0|3,0,0]=4 234 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,0,0,0,0,0|2,0,0]=3 235 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,0,0,0,0,0|2,0,0]=3 236 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,0,0,0,0,0|2,0,0]=3 237 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [1,0,0,0,0,0|3,0,0]=4 238 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,0,0,0,0,0|2,0,0]=3 239 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [1,0,0,0,0,0|3,0,0]=4 240 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [1,0,0,0,0,0|3,0,0]=4 241 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,0,0,0,0,0|2,0,0]=3 242 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,0,0,0,0,0|2,0,0]=3 243 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [1,0,0,0,0,0|3,0,0]=4 244 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [1,0,0,0,0,0|3,0,0]=4 245 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,0,0,0,0,0|2,0,0]=3 246 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,0,0,0,0,0|2,0,0]=3 247 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [1,0,0,0,0,0|2,0,0]=3 248 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [1,0,0,0,0,0|2,0,0]=3 249 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,0,0,0,0,0|1,0,0]=2 250 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,0,0,0,0,0|1,0,0]=2 251 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [1,0,0,0,0,0|3,0,0]=4 252 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [1,0,0,0,0,0|3,0,0]=4 253 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [1,0,0,0,0,0|3,0,0]=4 254 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [1,0,0,0,0,0|3,0,0]=4 255 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [1,0,0,0,0,0|0,1,2]=4 256 B7R0.4 COCC#CC(=O)O MCULE-5896712747 [1,0,0,0,0,0|0,1,2]=4 257 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [1,0,0,0,0,0|0,1,2]=4 258 B7R0.4 COCCCC(=O)C MCULE-3606369396 [1,0,0,0,0,0|1,1,0]=3 259 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,0,0,0,0,0|0,1,0]=2 260 B7R0.4 COCCCC(=S)N MCULE-5066867181 [1,0,0,0,0,0|1,2,0]=4 261 B7R0.4 COCCCC(C)O MCULE-4190294636 [1,0,0,0,0,0|1,1,1]=4 262 B7R0.4 COCCNC(=O)C MCULE-2794263612 [1,0,0,0,0,0|2,1,0]=4 263 B7R0.4 COCCNC(=O)N MCULE-1380726553 [1,0,0,0,0,0|2,1,0]=4 264 B7R0.4 COCCOC(=O)C MCULE-3221264060 [1,0,0,0,0,0|2,1,0]=4 265 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [1,0,0,0,0,0|2,1,0]=4 266 B7R0.4 COCCOC(=O)N MCULE-3401505850 [1,0,0,0,0,0|2,1,0]=4 267 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [1,0,0,0,0,0|0,0,2]=3 268 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,0,0,0,0,0|0,0,0]=1 269 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [1,0,0,0,0,0|2,0,0]=3 270 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [1,0,0,0,0,0|2,0,0]=3 271 B7R0.4 CSCCNC(=S)N MCULE-1778031613 [1,0,0,0,0,0|2,1,0]=4 272 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [1,0,0,0,0,0|2,0,0]=3 273 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [1,0,0,0,0,0|1,0,0]=2 274 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [1,0,0,0,0,0|2,0,0]=3 275 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [1,0,0,0,0,0|3,0,0]=4 276 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [1,0,0,0,0,0|3,0,0]=4 277 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [1,0,0,0,0,0|3,0,0]=4 278 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [1,0,0,0,0,0|3,0,0]=4 279 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [1,0,0,0,0,0|3,0,0]=4 280 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [1,0,0,0,0,0|3,0,0]=4 281 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [1,0,0,0,0,0|3,0,0]=4 282 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,0,0,0,0,0|2,0,0]=3 283 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,0,0,0,0,0|2,0,0]=3 284 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,0,0,0,0,0|2,0,0]=3 285 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,0,0,0,0,0|2,0,0]=3 286 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,0,0,0,0,0|3,0,0]=4 287 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,0,0,0,0,0|3,0,0]=4 288 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,0,0,0,0,0|3,0,0]=4 289 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,0,0,0,0,0|3,0,0]=4 290 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,0,0,0,0,0|3,0,0]=4 291 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,0,0,0,0,0|3,0,0]=4 292 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,0,0,0,0,0|1,1,0]=3 293 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,0,0,0,0,0|1,1,0]=3 294 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [1,0,0,0,0,0|3,0,0]=4 295 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [1,0,0,0,0,0|3,0,0]=4 296 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [1,0,0,0,0,0|3,0,0]=4 297 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,0,0,0,0,0|2,0,1]=4 298 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,0,0,0,0,0|2,0,0]=3 299 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,0,0,0,0,0|2,0,0]=3 300 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,0,0,0,0,0|2,0,0]=3 301 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,0,0,0,0,0|2,0,0]=3 302 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,0,0,0,0,0|3,0,0]=4 303 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,0,0,0,0,0|3,0,0]=4 304 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,0,0,0,0,0|3,0,0]=4 305 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,0,0,0,0,0|3,0,0]=4 306 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,0,0,0,0,0|3,0,0]=4 307 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,0,0,0,0,0|3,0,0]=4 308 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,0,0,0,0,0|3,0,0]=4 309 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [1,0,0,0,0,0|2,0,1]=4 310 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,0,0,0,0,0|2,0,0]=3 311 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [1,0,0,0,0,0|1,0,2]=4 312 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [1,0,0,0,0,0|1,0,2]=4 313 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [1,0,0,0,0,0|1,0,2]=4 314 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [1,0,0,0,0,0|1,0,2]=4 315 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [1,0,0,0,0,0|1,0,2]=4 316 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [1,0,0,0,0,0|1,0,2]=4 317 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [1,0,0,0,0,0|0,0,2]=3 318 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [1,0,0,0,0,0|1,0,2]=4 319 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [1,0,0,0,0,0|1,0,2]=4 320 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [1,0,0,0,0,0|1,0,2]=4 321 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [1,0,0,0,0,0|1,0,2]=4 322 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [1,0,0,0,0,0|1,0,2]=4 323 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [1,0,0,0,0,0|1,0,2]=4 324 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [1,0,0,0,0,0|1,0,2]=4 325 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [1,0,0,0,0,0|1,0,2]=4 326 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [1,0,0,0,0,0|1,0,1]=3 327 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [1,0,0,0,0,0|1,1,1]=4 328 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [1,0,0,0,0,0|1,1,1]=4 329 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [1,0,0,0,0,0|1,0,2]=4 330 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [1,0,0,0,0,0|1,0,2]=4 331 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [1,0,0,0,0,0|1,0,2]=4 332 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [1,0,0,0,0,0|1,0,2]=4 333 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [1,0,0,0,0,0|1,0,2]=4 334 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [1,0,0,0,0,0|0,0,2]=3 335 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [1,0,0,0,0,0|1,0,2]=4 336 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [1,0,0,0,0,0|1,0,2]=4 337 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [1,0,0,0,0,0|1,0,2]=4 338 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [1,0,0,0,0,0|1,0,2]=4 339 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [1,0,0,0,0,0|0,0,2]=3 340 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [1,0,0,0,0,0|1,0,2]=4 341 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [1,0,0,0,0,0|1,0,2]=4 342 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [1,0,0,0,0,0|1,0,2]=4 343 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [1,0,0,0,0,0|1,0,2]=4 344 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [1,0,0,0,0,0|0,0,2]=3 345 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [1,0,0,0,0,0|3,0,0]=4 346 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [1,0,0,0,0,0|3,0,0]=4 347 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [1,0,0,0,0,0|2,1,0]=4 348 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [1,0,0,0,0,0|3,0,0]=4 349 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [1,0,0,0,0,0|2,1,0]=4 350 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [1,0,0,0,0,0|3,0,0]=4 351 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [1,0,0,0,0,0|2,0,0]=3 352 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [1,0,0,0,0,0|2,0,0]=3 353 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [1,0,0,0,0,0|2,1,0]=4 354 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,0,0,0,0,0|1,1,0]=3 355 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [1,0,0,0,0,0|1,1,1]=4 356 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [1,0,0,0,0,0|1,0,2]=4 357 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [1,0,0,0,0,0|1,0,2]=4 358 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [1,0,0,0,0,0|0,0,2]=3 359 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [1,0,0,0,0,0|1,0,2]=4 360 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [1,0,0,0,0,0|1,0,2]=4 361 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [1,0,0,0,0,0|1,0,2]=4 362 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [1,0,0,0,0,0|1,0,2]=4 363 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [1,0,0,0,0,0|0,0,2]=3 364 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [1,0,0,0,0,0|2,0,0]=3 365 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [1,0,0,0,0,0|1,0,0]=2 366 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [1,0,0,0,0,0|2,0,0]=3 367 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [1,0,0,0,0,0|2,0,0]=3 368 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [1,0,0,0,0,0|2,0,0]=3 369 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [1,0,0,0,0,0|1,0,0]=2 370 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [1,0,0,0,0,0|2,0,1]=4 371 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [1,0,0,0,0,0|1,0,0]=2 372 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [1,0,0,0,0,0|1,0,0]=2 373 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [1,0,0,0,0,0|2,0,0]=3 374 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [1,0,0,0,0,0|2,0,0]=3 375 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [1,0,0,0,0,0|1,0,0]=2 376 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [1,0,0,0,0,0|1,0,0]=2 377 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [1,0,0,0,0,0|1,0,0]=2 378 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [1,0,0,0,0,0|1,0,0]=2 379 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,0,0,0,0,0|0,0,0]=1 380 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,0,0,0,0,0|0,0,0]=1 381 B7R0.5 CCCC(O)C(C)C MCULE-8942406791 [1,0,0,0,0,0|2,0,1]=4 382 B7R0.5 CCCN(C)C(=O)Cl MCULE-2930764127 [1,0,0,0,0,0|3,0,0]=4 383 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [1,0,0,0,0,0|1,0,0]=2 384 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [1,0,0,0,0,0|1,0,0]=2 385 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,0,0,0,0,0|0,0,0]=1 386 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [1,0,0,0,0,0|1,0,0]=2 387 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [1,0,0,0,0,0|2,0,0]=3 388 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [1,0,0,0,0,0|2,0,0]=3 389 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [1,0,0,0,0,0|2,0,0]=3 390 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [1,0,0,0,0,0|2,0,0]=3 391 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [1,0,0,0,0,0|1,0,0]=2 392 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [1,0,0,0,0,0|1,0,0]=2 393 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [1,0,0,0,0,0|1,0,0]=2 394 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,0,0,0,0,0|0,0,0]=1 395 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,0,0,0,0,0|0,0,0]=1 396 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [1,0,0,0,0,0|1,0,2]=4 397 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [1,0,0,0,0,0|3,0,0]=4 398 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [1,0,0,0,0,0|3,0,0]=4 399 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [1,0,0,0,0,0|2,0,0]=3 400 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [1,0,0,0,0,0|2,0,0]=3 401 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [1,0,0,0,0,0|2,0,0]=3 402 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [1,0,0,0,0,0|1,0,2]=4 403 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [1,0,0,0,0,0|2,0,0]=3 404 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [1,0,0,0,0,0|2,0,0]=3 405 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [1,0,0,0,0,0|2,0,0]=3 406 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [1,0,0,0,0,0|2,0,0]=3 407 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [1,0,0,0,0,0|2,0,0]=3 408 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [1,0,0,0,0,0|2,0,0]=3 409 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [1,0,0,0,0,0|2,0,0]=3 410 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [1,0,0,0,0,0|2,0,0]=3 411 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [1,0,0,0,0,0|2,0,0]=3 412 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [1,0,0,0,0,0|2,0,0]=3 413 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [1,0,0,0,0,0|1,1,0]=3 414 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [1,0,0,0,0,0|2,1,0]=4 415 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,0,0,0,0,0|1,1,0]=3 416 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [1,0,0,0,0,0|1,1,0]=3 417 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [1,0,0,0,0,0|2,1,0]=4 418 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [1,0,0,0,0,0|2,1,0]=4 419 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [1,0,0,0,0,0|1,1,0]=3 420 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [1,0,0,0,0,0|1,1,0]=3 421 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [1,0,0,0,0,0|1,1,0]=3 422 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [1,0,0,0,0,0|1,1,0]=3 423 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [1,0,0,0,0,0|0,1,0]=2 424 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [1,0,0,0,0,0|1,1,0]=3 425 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [1,0,0,0,0,0|1,1,0]=3 426 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [1,0,0,0,0,0|1,1,0]=3 427 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [1,0,0,0,0,0|1,1,0]=3 428 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [1,0,0,0,0,0|1,1,0]=3 429 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [1,0,0,0,0,0|1,1,0]=3 430 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [1,0,0,0,0,0|1,1,0]=3 431 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [1,0,0,0,0,0|1,1,0]=3 432 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [1,0,0,0,0,0|1,0,0]=2 433 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [1,0,0,0,0,0|1,0,0]=2 434 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [1,0,0,0,0,0|1,0,0]=2 435 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [1,0,0,0,0,0|1,0,0]=2 436 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [1,0,0,0,0,0|1,0,0]=2 437 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [1,0,0,0,0,0|1,1,0]=3 438 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [1,0,0,0,0,0|1,1,0]=3 439 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [1,0,0,0,0,0|1,1,0]=3 440 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [1,0,0,0,0,0|1,1,0]=3 441 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [1,0,0,0,0,0|1,1,0]=3 442 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [1,0,0,0,0,0|1,1,0]=3 443 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [1,0,0,0,0,0|2,0,1]=4 444 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [1,0,0,0,0,0|2,0,1]=4 445 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [1,0,0,0,0,0|2,0,1]=4 446 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [1,0,0,0,0,0|3,0,0]=4 447 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [1,0,0,0,0,0|2,0,0]=3 448 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [1,0,0,0,0,0|2,0,0]=3 449 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [1,0,0,0,0,0|2,0,0]=3 450 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [1,0,0,0,0,0|2,0,0]=3 451 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,0,0,0,0,0|1,1,0]=3 452 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,0,0,0,0,0|1,1,0]=3 453 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [1,0,0,0,0,0|1,0,0]=2 454 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [1,0,0,0,0,0|1,0,0]=2 455 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [1,0,0,0,0,0|2,1,0]=4 456 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [1,0,0,0,0,0|2,0,0]=3 457 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [1,0,0,0,0,0|2,0,0]=3 458 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [1,0,0,0,0,0|2,0,0]=3 459 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [1,0,0,0,0,0|2,0,0]=3 460 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [1,0,0,0,0,0|2,0,0]=3 461 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [1,0,0,0,0,0|2,0,0]=3 462 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [1,0,0,0,0,0|2,0,0]=3 463 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [1,0,0,0,0,0|2,0,0]=3 464 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [1,0,0,0,0,0|2,0,0]=3 465 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,0,0,0,0,0|1,0,0]=2 466 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,0,0,0,0,0|1,0,0]=2 467 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [1,0,0,0,0,0|2,0,0]=3 468 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [1,0,0,0,0,0|2,0,0]=3 469 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [1,0,0,0,0,0|2,0,0]=3 470 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [1,0,0,0,0,0|2,0,0]=3 471 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,0,0,0,0,0|1,0,0]=2 472 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [1,0,0,0,0,0|2,0,0]=3 473 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [1,0,0,0,0,0|2,0,0]=3 474 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [1,0,0,0,0,0|2,0,0]=3 475 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [1,0,0,0,0,0|2,0,0]=3 476 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [1,0,0,0,0,0|2,0,0]=3 477 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [1,0,0,0,0,0|2,0,0]=3 478 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [1,0,0,0,0,0|2,0,0]=3 479 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [1,0,0,0,0,0|2,0,0]=3 480 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [1,0,0,0,0,0|2,0,0]=3 481 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,0,0,0,0,0|1,0,0]=2 482 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,0,0,0,0,0|1,0,0]=2 483 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [1,0,0,0,0,0|2,1,0]=4 484 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [1,0,0,0,0,0|2,0,0]=3 485 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [1,0,0,0,0,0|2,0,0]=3 486 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [1,0,0,0,0,0|2,0,0]=3 487 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [1,0,0,0,0,0|2,0,0]=3 488 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,0,0,0,0,0|1,1,0]=3 489 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,0,0,0,0,0|1,1,0]=3 490 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [1,0,0,0,0,0|1,0,0]=2 491 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [1,0,0,0,0,0|1,0,0]=2 492 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [1,0,0,0,0,0|2,0,0]=3 493 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [1,0,0,0,0,0|2,0,0]=3 494 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [1,0,0,0,0,0|2,0,0]=3 495 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,0,0,0,0,0|1,1,0]=3 496 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,0,0,0,0,0|1,1,0]=3 497 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [1,0,0,0,0,0|1,0,0]=2 498 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [1,0,0,0,0,0|1,0,0]=2 499 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [1,0,0,0,0,0|3,0,0]=4 500 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [1,0,0,0,0,0|3,0,0]=4 501 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [1,0,0,0,0,0|3,0,0]=4 502 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [1,0,0,0,0,0|2,0,0]=3 503 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,0,0,0,0,0|0,1,0]=2 504 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [1,0,0,0,0,0|1,0,2]=4 505 B9R0.3 C(N)(CCSC)C(C)(C)O MCULE-7544508587 [0,1,0,0,0,0|2,0,1]=4 506 B9R0.3 C(N)(CCSC)C(C)(C)O MCULE-8202006517 [0,1,0,0,0,0|2,0,1]=4 507 B9R0.3 CCCCC(N)P(=O)(O)O MCULE-6746003648 [0,1,0,0,0,0|3,0,0]=4 508 B9R0.3 CSCCC(N)C(C)(C)O MCULE-3424813820 [0,1,0,0,0,0|2,0,1]=4 509 B9R0.3 CSCCC(N)C(C)(C)O MCULE-8866627958 [0,1,0,0,0,0|2,0,1]=4 510 B9R0.3 CSCC[C@@H](N)C(C)(C)O MCULE-1314538644 [0,1,0,0,0,0|2,0,1]=4 511 B9R0.3 CSCC[C@@H](N)C(C)(C)O MCULE-6475773659 [0,1,0,0,0,0|2,0,1]=4 512 B9R0.3 CSCC[C@@H](N)C(C)(C)O MCULE-7880752352 [0,1,0,0,0,0|2,0,1]=4 513 B9R0.3 CSCC[C@@H](N)C(C)(C)O MCULE-9319403199 [0,1,0,0,0,0|2,0,1]=4 514 B9R0.3 CSCC[C@H](N)C(C)(C)O MCULE-3286830056 [0,1,0,0,0,0|2,0,1]=4 515 B9R0.3 CSCC[C@H](N)C(C)(C)O MCULE-4360953563 [0,1,0,0,0,0|2,0,1]=4 516 B9R0.6 CCCC(C)C(N)C(=O)O MCULE-3481285649 [0,1,0,0,0,0|2,0,0]=3 517 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-3877102152 [0,1,0,0,0,0|2,0,0]=3 518 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-5998533545 [0,1,0,0,0,0|2,0,0]=3 519 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [0,1,0,0,0,0|2,0,0]=3 520 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-1873801018 [0,1,0,0,0,0|2,0,0]=3 521 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-5086135715 [0,1,0,0,0,0|2,0,0]=3 522 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O MCULE-2918610954 [0,1,0,0,0,0|1,0,0]=2 523 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O MCULE-1958502407 [0,1,0,0,0,0|1,0,0]=2 524 B9R0.6 CCC[C@H](N)C(O)C(=O)O MCULE-8649182139 [0,1,0,0,0,0|1,0,0]=2 525 B9R0.6 COCC(C)C(C)C(=O)O MCULE-8168198082 [0,1,0,0,0,0|1,1,0]=3 526 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,1,0,0,0,0|3,0,0]=4 527 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-3833333239 [0,1,0,0,0,0|2,0,1]=4 528 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-5949669555 [0,1,0,0,0,0|2,0,1]=4 529 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,1,0,0,0,0|2,0,1]=4 530 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,1,0,0,0,0|2,0,1]=4 531 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,1,0,0,0,0|2,0,1]=4 532 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,1,0,0,0,0|3,0,0]=4 533 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,1,0,0,0,0|3,0,0]=4 534 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,1,0,0,0,0|3,0,0]=4 535 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,1,0,0,0,0|3,0,0]=4 536 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,1,0,0,0,0|3,0,0]=4 537 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,1,0,0,0,0|3,0,0]=4 538 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,1,0,0,0,0|3,0,0]=4 539 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,1,0,0,0,0|3,0,0]=4 540 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,1,0,0,0,0|3,0,0]=4 541 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,1,0,0,0,0|3,0,0]=4 542 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,1,0,0,0,0|3,0,0]=4 543 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,1,0,0,0,0|3,0,0]=4 544 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,1,0,0,0,0|3,0,0]=4 545 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,1,0,0,0,0|3,0,0]=4 546 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,1,0,0,0,0|3,0,0]=4 547 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,1,0,0,0,0|3,0,0]=4 548 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,1,0,0,0,0|3,0,0]=4 549 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,1,0,0,0,0|3,0,0]=4 550 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,1,0,0,0,0|3,0,0]=4 551 B9R0.7 CC(C)CCC(C)C(=O)O MCULE-8295273403 [0,1,0,0,0,0|2,0,0]=3 552 B9R0.7 CC(C)CCC(F)C(=O)O MCULE-1179378327 [0,1,0,0,0,0|2,0,0]=3 553 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,1,0,0,0,0|2,0,0]=3 554 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,1,0,0,0,0|2,0,0]=3 555 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,1,0,0,0,0|2,0,0]=3 556 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,1,0,0,0,0|2,0,0]=3 557 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,1,0,0,0,0|2,0,0]=3 558 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,1,0,0,0,0|2,0,0]=3 559 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,1,0,0,0,0|2,0,0]=3 560 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,1,0,0,0,0|2,0,0]=3 561 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,1,0,0,0,0|2,0,0]=3 562 B9R0.7 CC(C)COC(C)C(=O)O MCULE-1125012565 [0,1,0,0,0,0|3,0,0]=4 563 B9R0.7 CC(C)OC[C@H](N)C(=O)O MCULE-1578143302 [0,1,0,0,0,0|3,0,0]=4 564 B9R0.7 CC(C)SCC(N)C(=O)O MCULE-2486867814 [0,1,0,0,0,0|3,0,0]=4 565 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,1,0,0,0,0|3,0,0]=4 566 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,1,0,0,0,0|3,0,0]=4 567 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-1367979399 [0,1,0,0,0,0|2,0,0]=3 568 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-7599864369 [0,1,0,0,0,0|2,0,0]=3 569 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [0,1,0,0,0,0|2,0,0]=3 570 B9R0.7 CN(C)CCC(O)C(=O)O MCULE-7034022816 [0,1,0,0,0,0|1,0,0]=2 571 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [0,1,0,0,0,0|2,0,0]=3 572 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [0,1,0,0,0,0|2,0,0]=3 573 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,1,0,0,0,0|1,0,1]=3 574 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,1,0,0,0,0|1,0,1]=3 575 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,1,0,0,0,0|1,0,1]=3 576 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,1,0,0,0,0|1,0,1]=3 577 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,1,0,0,0,0|1,0,1]=3 578 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,1,0,0,0,0|1,0,1]=3 579 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,1,0,0,0,0|3,0,0]=4 580 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,1,0,0,0,0|3,0,0]=4 581 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,1,0,0,0,0|3,0,0]=4 582 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O MCULE-1884928652 [0,1,0,0,0,0|3,0,0]=4 583 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [0,1,0,0,0,0|1,0,1]=3 584 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [0,1,0,0,0,0|1,0,1]=3 585 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [0,1,0,0,0,0|1,0,1]=3 586 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [0,1,0,0,0,0|1,0,1]=3 587 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [0,1,0,0,0,0|1,0,1]=3 588 B9R0.7 C[S+](C)CCC(N)C(=O)[O-] MCULE-6795236117 [0,1,0,0,0,0|1,0,2]=4 589 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [0,1,0,0,0,0|1,0,1]=3 590 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [0,1,0,0,0,0|1,0,1]=3 591 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [0,1,0,0,0,0|1,0,1]=3 592 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [0,1,0,0,0,0|1,0,1]=3 593 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [0,1,0,0,0,0|1,0,1]=3 594 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [0,1,0,0,0,0|1,0,1]=3 595 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [0,1,0,0,0,0|1,0,1]=3 596 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [0,1,0,0,0,0|1,0,1]=3 597 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [0,1,0,0,0,0|1,0,1]=3 598 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,1,0,0,0,0|3,0,0]=4 599 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,1,0,0,0,0|3,0,0]=4 600 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,1,0,0,0,0|3,0,0]=4 601 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,1,0,0,0,0|3,0,0]=4 602 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,1,0,0,0,0|3,0,0]=4 603 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,1,0,0,0,0|3,0,0]=4 604 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,1,0,0,0,0|3,0,0]=4 605 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,1,0,0,0,0|3,0,0]=4 606 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,1,0,0,0,0|3,0,0]=4 607 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,1,0,0,0,0|3,0,0]=4 608 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,1,0,0,0,0|3,0,0]=4 609 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,1,0,0,0,0|3,0,0]=4 610 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,1,0,0,0,0|3,0,0]=4 611 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,1,0,0,0,0|3,0,0]=4 612 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,1,0,0,0,0|3,0,0]=4 613 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,1,0,0,0,0|3,0,0]=4 614 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,1,0,0,0,0|3,0,0]=4 615 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,1,0,0,0,0|3,0,0]=4 616 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,1,0,0,0,0|3,0,0]=4 617 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,1,0,0,0,0|2,0,0]=3 618 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,1,0,0,0,0|2,0,0]=3 619 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,1,0,0,0,0|2,0,0]=3 620 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,1,0,0,0,0|3,0,0]=4 621 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,1,0,0,0,0|3,0,0]=4 622 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,1,0,0,0,0|3,0,0]=4 623 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,1,0,0,0,0|2,0,0]=3 624 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [0,1,0,0,0,0|2,0,1]=4 625 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [0,1,0,0,0,0|2,0,1]=4 626 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [0,1,0,0,0,0|2,0,1]=4 627 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [0,1,0,0,0,0|2,0,1]=4 628 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [0,1,0,0,0,0|2,0,1]=4 629 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [0,1,0,0,0,0|2,0,1]=4 630 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [0,1,0,0,0,0|2,0,1]=4 631 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,1,0,0,0,0|3,0,0]=4 632 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,1,0,0,0,0|3,0,0]=4 633 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,1,0,0,0,0|1,0,1]=3 634 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,1,0,0,0,0|2,0,0]=3 635 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-3671687930 [0,1,0,0,0,0|3,0,0]=4 636 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-7038280539 [0,1,0,0,0,0|3,0,0]=4 637 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9372602528 [0,1,0,0,0,0|2,0,1]=4 638 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9719986161 [0,1,0,0,0,0|2,0,1]=4 639 B9R0.8 CC#CCC(N)C(=O)OC MCULE-5322994663 [0,1,0,0,0,0|2,0,1]=4 640 B9R0.8 CCCCC(Br)C(=O)OC MCULE-4103872528 [0,1,0,0,0,0|2,0,0]=3 641 B9R0.8 CCCCC(N)C(=O)OC MCULE-1230899944 [0,1,0,0,0,0|2,0,0]=3 642 B9R0.8 CCCCC(N)C(=O)OC MCULE-8455548704 [0,1,0,0,0,0|2,0,0]=3 643 B9R0.8 CCCCC(S)C(=O)OC MCULE-3094220494 [0,1,0,0,0,0|1,1,0]=3 644 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-3834316771 [0,1,0,0,0,0|2,0,0]=3 645 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-4089310144 [0,1,0,0,0,0|2,0,0]=3 646 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8244695684 [0,1,0,0,0,0|2,0,0]=3 647 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8512513571 [0,1,0,0,0,0|2,0,0]=3 648 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-1675626630 [0,1,0,0,0,0|2,0,0]=3 649 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-3850807479 [0,1,0,0,0,0|2,0,0]=3 650 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-6677668966 [0,1,0,0,0,0|2,0,0]=3 651 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-9798725861 [0,1,0,0,0,0|2,0,0]=3 652 B9R0.8 CCCNC(C)C(=O)OC MCULE-6800510102 [0,1,0,0,0,0|3,0,0]=4 653 B9R0.8 CCNCC(C)C(=O)OC MCULE-6455791716 [0,1,0,0,0,0|3,0,0]=4 654 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-3612140892 [0,1,0,0,0,0|2,0,0]=3 655 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-5468588566 [0,1,0,0,0,0|2,0,0]=3 656 B9R0.8 CNCCN(C)C(=O)OC MCULE-4007840591 [0,1,0,0,0,0|3,0,0]=4 657 B9R0.8 COC(=O)C(Br)CCCBr MCULE-5582617448 [0,1,0,0,0,0|3,0,0]=4 658 B9R0.8 COC(=O)C(Br)CCCCl MCULE-9987054323 [0,1,0,0,0,0|3,0,0]=4 659 B9R0.8 COC(=O)C(N)CCCN MCULE-6521555168 [0,1,0,0,0,0|3,0,0]=4 660 B9R0.8 COC(=O)C(N)CCSC MCULE-4738091605 [0,1,0,0,0,0|1,0,0]=2 661 B9R0.8 COC(=O)C(N)CCSC MCULE-7178342109 [0,1,0,0,0,0|1,0,0]=2 662 B9R0.8 COC(=O)C(O)CCCBr MCULE-5891554758 [0,1,0,0,0,0|2,0,0]=3 663 B9R0.8 COC(=O)C(O)CCSC MCULE-3114435129 [0,1,0,0,0,0|0,0,0]=1 664 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-3351048688 [0,1,0,0,0,0|3,0,0]=4 665 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-4548438838 [0,1,0,0,0,0|3,0,0]=4 666 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-7062535738 [0,1,0,0,0,0|3,0,0]=4 667 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-9355659419 [0,1,0,0,0,0|3,0,0]=4 668 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-3027295067 [0,1,0,0,0,0|1,0,0]=2 669 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4484402389 [0,1,0,0,0,0|1,0,0]=2 670 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4509945770 [0,1,0,0,0,0|1,0,0]=2 671 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-8108341265 [0,1,0,0,0,0|1,0,0]=2 672 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-2625316815 [0,1,0,0,0,0|3,0,0]=4 673 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4715960090 [0,1,0,0,0,0|3,0,0]=4 674 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4992114876 [0,1,0,0,0,0|3,0,0]=4 675 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-9745337815 [0,1,0,0,0,0|3,0,0]=4 676 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2197835132 [0,1,0,0,0,0|1,0,0]=2 677 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2663127706 [0,1,0,0,0,0|1,0,0]=2 678 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-6414786546 [0,1,0,0,0,0|1,0,0]=2 679 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-7616587728 [0,1,0,0,0,0|1,0,0]=2 680 B9R0.8 COCCC(N)C(=O)OC MCULE-3540159086 [0,1,0,0,0,0|1,1,0]=3 681 B9R0.8 COCCC(N)C(=O)OC MCULE-5893511237 [0,1,0,0,0,0|1,1,0]=3 682 B9R0.8 COCCC(O)C(O)CO MCULE-8755237951 [0,1,0,0,0,0|0,1,2]=4 683 B9R0.8 COCC[C@H](O)[C@H](O)CO MCULE-6552589711 [0,1,0,0,0,0|0,1,2]=4 684 B9R0.13 C=CCCC(CC)C(=O)O MCULE-6019823383 [0,1,0,0,0,0|2,0,1]=4 685 B9R0.13 CCC(CCOC)C(=O)O MCULE-9329790915 [0,1,0,0,0,0|1,1,0]=3 686 B9R0.13 CCCCC(CC)C(=O)C MCULE-6594996935 [0,1,0,0,0,0|3,0,0]=4 687 B9R0.13 CCCCC(CC)C(=O)Cl MCULE-5129133966 [0,1,0,0,0,0|3,0,0]=4 688 B9R0.13 CCCCC(CC)C(=O)N MCULE-6741704780 [0,1,0,0,0,0|3,0,0]=4 689 B9R0.13 CCCCC(CC)C(=O)O MCULE-5686478683 [0,1,0,0,0,0|2,0,0]=3 690 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6405828438 [0,1,0,0,0,0|2,0,1]=4 691 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6841285360 [0,1,0,0,0,0|2,0,1]=4 692 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-9345456808 [0,1,0,0,0,0|2,0,1]=4 693 B9R0.13 CCCCC(CN)C(=O)O MCULE-6509321720 [0,1,0,0,0,0|2,0,0]=3 694 B9R0.13 CCCCC(CO)C(=O)C MCULE-8991511326 [0,1,0,0,0,0|2,0,0]=3 695 B9R0.13 CCCCC(CO)C(=O)O MCULE-7586035948 [0,1,0,0,0,0|1,0,0]=2 696 B9R0.13 CCCCC(NC)C(=O)N MCULE-5960268514 [0,1,0,0,0,0|3,0,0]=4 697 B9R0.13 CCCCC(NC)C(=O)O MCULE-1290797295 [0,1,0,0,0,0|2,0,0]=3 698 B9R0.13 CCCCC(OC)C(=O)O MCULE-4251070702 [0,1,0,0,0,0|1,0,0]=2 699 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-3017621334 [0,1,0,0,0,0|2,0,0]=3 700 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-9782965208 [0,1,0,0,0,0|2,0,0]=3 701 B9R0.13 CCCC[C@@H](CN)C(=O)O MCULE-8769717308 [0,1,0,0,0,0|2,0,0]=3 702 B9R0.13 CCCC[C@@H](CO)C(=O)O MCULE-4035754044 [0,1,0,0,0,0|1,0,0]=2 703 B9R0.13 CCCC[C@H](CC)C(=O)O MCULE-7435371149 [0,1,0,0,0,0|2,0,0]=3 704 B9R0.13 CCCC[C@H](CN)C(=O)O MCULE-3507398764 [0,1,0,0,0,0|2,0,0]=3 705 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-1956509117 [0,1,0,0,0,0|1,0,0]=2 706 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-3776577040 [0,1,0,0,0,0|1,0,0]=2 707 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-2734051077 [0,1,0,0,0,0|2,0,0]=3 708 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-3251368399 [0,1,0,0,0,0|2,0,0]=3 709 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-5821422660 [0,1,0,0,0,0|2,0,0]=3 710 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-6933942099 [0,1,0,0,0,0|2,0,0]=3 711 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-3425842174 [0,1,0,0,0,0|3,0,0]=4 712 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-5957010617 [0,1,0,0,0,0|3,0,0]=4 713 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-4656254779 [0,1,0,0,0,0|1,0,0]=2 714 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-9180929954 [0,1,0,0,0,0|1,0,0]=2 715 B9R0.13 COC(CCSC)C(=O)O MCULE-2968161259 [0,1,0,0,0,0|0,0,0]=1 716 B9R0.13 COC(CN=N#N)C(=O)O MCULE-5087604364 [0,1,0,0,0,0|3,0,0]=4 717 B9R0.13 CSCCC(N=[Se])C(=O)O MCULE-9506566313 [0,1,0,0,0,0|0,1,0]=2 718 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [0,1,0,0,0,0|1,1,1]=4 719 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [0,1,0,0,0,0|3,0,0]=4 720 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [0,1,0,0,0,0|2,0,1]=4 721 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [0,1,0,0,0,0|2,0,1]=4 722 B9R0.42 CCC(C)CC(C)C(=O)O MCULE-6856405301 [0,1,0,0,0,0|2,0,0]=3 723 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,1,0,0,0,0|2,0,0]=3 724 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,1,0,0,0,0|2,0,0]=3 725 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-6094320295 [0,1,0,0,0,0|3,0,0]=4 726 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-8043640135 [0,1,0,0,0,0|3,0,0]=4 727 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [0,1,0,0,0,0|2,0,1]=4 728 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [0,1,0,0,0,0|2,0,1]=4 729 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [0,1,0,0,0,0|2,0,1]=4 730 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [0,1,0,0,0,0|2,0,1]=4 731 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [0,1,0,0,0,0|2,0,1]=4 732 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [0,1,0,0,0,0|2,0,1]=4 733 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [0,1,0,0,0,0|1,1,1]=4 734 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [0,1,0,0,0,0|1,1,1]=4 735 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [0,1,0,0,0,0|1,1,1]=4 736 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [0,1,0,0,0,0|1,1,1]=4 737 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [0,1,0,0,0,0|1,1,1]=4 738 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [0,1,0,0,0,0|0,1,1]=3 739 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [0,1,0,0,0,0|1,1,1]=4 740 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [0,1,0,0,0,0|1,1,1]=4 741 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [0,1,0,0,0,0|1,1,1]=4 742 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [0,1,0,0,0,0|1,1,1]=4 743 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [0,1,0,0,0,0|1,1,1]=4 744 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [0,1,0,0,0,0|1,1,1]=4 745 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [0,1,0,0,0,0|0,1,1]=3 746 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [0,1,0,0,0,0|1,1,1]=4 747 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [0,1,0,0,0,0|1,1,1]=4 748 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [0,1,0,0,0,0|1,1,1]=4 749 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [0,1,0,0,0,0|1,1,1]=4 750 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [0,1,0,0,0,0|1,1,1]=4 751 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [0,1,0,0,0,0|1,1,1]=4 752 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [0,1,0,0,0,0|0,1,1]=3 753 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-1522125822 [0,1,0,0,0,0|2,0,1]=4 754 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-2184948430 [0,1,0,0,0,0|2,0,1]=4 755 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-3478575968 [0,1,0,0,0,0|2,0,1]=4 756 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-5307313414 [0,1,0,0,0,0|2,0,1]=4 757 B9R0.47 C#CCOC[C@H](N)C(=O)O MCULE-8879805332 [0,1,0,0,0,0|2,0,1]=4 758 B9R0.47 C#CCSCC(N)C(=O)O MCULE-8696971754 [0,1,0,0,0,0|2,0,1]=4 759 B9R0.47 C#CCSC[C@H](N)C(=O)O MCULE-9301300062 [0,1,0,0,0,0|2,0,1]=4 760 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [0,1,0,0,0,0|2,0,0]=3 761 B9R0.47 C/C=C/SC[C@H](N)C(=O)O MCULE-2540874981 [0,1,0,0,0,0|2,0,1]=4 762 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [0,1,0,0,0,0|2,0,1]=4 763 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [0,1,0,0,0,0|2,0,1]=4 764 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [0,1,0,0,0,0|2,0,1]=4 765 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [0,1,0,0,0,0|2,0,1]=4 766 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [0,1,0,0,0,0|2,0,1]=4 767 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [0,1,0,0,0,0|2,0,1]=4 768 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [0,1,0,0,0,0|2,0,1]=4 769 B9R0.47 C=CCCNC(C)C(=O)O MCULE-2164423879 [0,1,0,0,0,0|2,0,1]=4 770 B9R0.47 C=CCCOC(C)C(=O)O MCULE-4921869592 [0,1,0,0,0,0|2,0,1]=4 771 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [0,1,0,0,0,0|2,0,1]=4 772 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [0,1,0,0,0,0|2,0,1]=4 773 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [0,1,0,0,0,0|2,0,1]=4 774 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [0,1,0,0,0,0|2,0,1]=4 775 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [0,1,0,0,0,0|2,0,1]=4 776 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [0,1,0,0,0,0|2,0,1]=4 777 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [0,1,0,0,0,0|2,0,1]=4 778 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [0,1,0,0,0,0|1,0,1]=3 779 B9R0.47 CC(CSCCN)C(=O)O MCULE-8181129041 [0,1,0,0,0,0|3,0,0]=4 780 B9R0.47 CC(CSCCN)C(=O)O MCULE-9927031234 [0,1,0,0,0,0|3,0,0]=4 781 B9R0.47 CC(NCCC#N)C(=O)O MCULE-7314407236 [0,1,0,0,0,0|3,0,0]=4 782 B9R0.47 CC=CSC[C@H](N)C(=O)O MCULE-2840170360 [0,1,0,0,0,0|2,0,1]=4 783 B9R0.47 CCCC=CC(O)C(=O)O MCULE-9096490162 [0,1,0,0,0,0|1,0,1]=3 784 B9R0.47 CCCCCC(=O)C(=O)O MCULE-2334480456 [0,1,0,0,0,0|1,0,2]=4 785 B9R0.47 CCCCCC(C)C(=O)C MCULE-8141962187 [0,1,0,0,0,0|3,0,0]=4 786 B9R0.47 CCCCCC(C)C(=O)O MCULE-3831811055 [0,1,0,0,0,0|2,0,0]=3 787 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [0,1,0,0,0,0|2,0,0]=3 788 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [0,1,0,0,0,0|2,0,0]=3 789 B9R0.47 CCCCCC(O)C(=O)O MCULE-4151749430 [0,1,0,0,0,0|1,0,0]=2 790 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [0,1,0,0,0,0|2,0,0]=3 791 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [0,1,0,0,0,0|2,0,0]=3 792 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [0,1,0,0,0,0|2,0,0]=3 793 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [0,1,0,0,0,0|2,0,0]=3 794 B9R0.47 CCCCOC(C)C(=O)O MCULE-2711768240 [0,1,0,0,0,0|2,0,0]=3 795 B9R0.47 CCCCSC(C)C(=O)O MCULE-1538375330 [0,1,0,0,0,0|2,0,0]=3 796 B9R0.47 CCCSCC(N)C(=O)O MCULE-1465196294 [0,1,0,0,0,0|2,0,0]=3 797 B9R0.47 CCCSCC(N)C(=O)O MCULE-2196835186 [0,1,0,0,0,0|2,0,0]=3 798 B9R0.47 CCCSC[C@H](N)C(=O)O MCULE-2274873569 [0,1,0,0,0,0|2,0,0]=3 799 B9R0.47 CCNCCC(N)C(=O)O MCULE-8873123795 [0,1,0,0,0,0|2,0,0]=3 800 B9R0.47 CCSCCC(N)C(=O)O MCULE-8503033566 [0,1,0,0,0,0|1,0,0]=2 801 B9R0.47 CCSCCC(N)C(=O)O MCULE-9465623190 [0,1,0,0,0,0|1,0,0]=2 802 B9R0.47 CCSCC[C@@H](N)C(=O)O MCULE-2836325620 [0,1,0,0,0,0|1,0,0]=2 803 B9R0.47 CCSCC[C@H](N)C(=O)O MCULE-6614300528 [0,1,0,0,0,0|1,0,0]=2 804 B9R0.47 CC[Se]CCC(N)C(=O)O MCULE-7426703933 [0,1,0,0,0,0|1,1,0]=3 805 B9R0.47 COCCCC(C)C(=O)O MCULE-7159772792 [0,1,0,0,0,0|1,1,0]=3 806 B9R0.47 COCCNC(C)C(=O)N MCULE-1475869974 [0,1,0,0,0,0|2,1,0]=4 807 B9R0.47 COCCNC(C)C(=O)N MCULE-3132916689 [0,1,0,0,0,0|2,1,0]=4 808 B9R0.47 COCCNC(C)C(=O)O MCULE-1762428923 [0,1,0,0,0,0|1,1,0]=3 809 B9R0.47 COCCNC(C)C(=O)O MCULE-8532368084 [0,1,0,0,0,0|1,1,0]=3 810 B9R0.47 COCCOC(C)C(=O)O MCULE-5271320344 [0,1,0,0,0,0|1,1,0]=3 811 B9R0.47 CSCCOC(C)C(=O)O MCULE-2180057271 [0,1,0,0,0,0|1,0,0]=2 812 B9R0.47 CSCSC[C@H](N)C(=O)O MCULE-2792975111 [0,1,0,0,0,0|1,0,0]=2 813 B9R0.47 N#N=NCCC(N)C(=O)O MCULE-3306935085 [0,1,0,0,0,0|3,0,0]=4 814 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [0,1,0,0,0,0|2,0,0]=3 815 B9R0.47 NC(CSCCO)C(=O)O MCULE-9765321939 [0,1,0,0,0,0|3,0,0]=4 816 B9R0.47 NCC#CCC(N)C(=O)O MCULE-6095484409 [0,1,0,0,0,0|2,0,1]=4 817 B9R0.47 NCC#CCC(N)C(=O)O MCULE-8713805302 [0,1,0,0,0,0|2,0,1]=4 818 B9R0.47 NCC=CCC(N)C(=O)O MCULE-9924781011 [0,1,0,0,0,0|2,0,1]=4 819 B9R0.47 NCCCCC(N)C(=O)N MCULE-5695768231 [0,1,0,0,0,0|3,0,0]=4 820 B9R0.47 NCCCCC(N)C(=O)N MCULE-8502146041 [0,1,0,0,0,0|3,0,0]=4 821 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [0,1,0,0,0,0|2,0,0]=3 822 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [0,1,0,0,0,0|2,0,0]=3 823 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [0,1,0,0,0,0|2,0,0]=3 824 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [0,1,0,0,0,0|2,0,0]=3 825 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [0,1,0,0,0,0|2,0,0]=3 826 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [0,1,0,0,0,0|2,0,0]=3 827 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [0,1,0,0,0,0|2,0,0]=3 828 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [0,1,0,0,0,0|2,0,0]=3 829 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [0,1,0,0,0,0|2,0,0]=3 830 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-2490465776 [0,1,0,0,0,0|3,0,0]=4 831 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-5523101334 [0,1,0,0,0,0|3,0,0]=4 832 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-7682920289 [0,1,0,0,0,0|3,0,0]=4 833 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-9381942600 [0,1,0,0,0,0|3,0,0]=4 834 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [0,1,0,0,0,0|2,0,0]=3 835 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [0,1,0,0,0,0|2,0,0]=3 836 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [0,1,0,0,0,0|2,0,0]=3 837 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [0,1,0,0,0,0|2,0,0]=3 838 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [0,1,0,0,0,0|2,0,0]=3 839 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [0,1,0,0,0,0|2,0,0]=3 840 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [0,1,0,0,0,0|2,0,0]=3 841 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [0,1,0,0,0,0|2,0,0]=3 842 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [0,1,0,0,0,0|2,0,0]=3 843 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [0,1,0,0,0,0|2,0,0]=3 844 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [0,1,0,0,0,0|2,0,0]=3 845 B9R0.47 NCCCC[C@H]([NH3+])C(=O)O MCULE-1421201563 [0,1,0,0,0,0|2,0,0]=3 846 B9R0.47 NCCOCC(N)C(=O)O MCULE-7224841130 [0,1,0,0,0,0|3,0,0]=4 847 B9R0.47 NCCOCC(N)C(=O)O MCULE-7654083918 [0,1,0,0,0,0|3,0,0]=4 848 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4415047402 [0,1,0,0,0,0|3,0,0]=4 849 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4663780920 [0,1,0,0,0,0|3,0,0]=4 850 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4696145098 [0,1,0,0,0,0|3,0,0]=4 851 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-9286897415 [0,1,0,0,0,0|3,0,0]=4 852 B9R0.47 NCCSCC(N)C(=O)O MCULE-5256853681 [0,1,0,0,0,0|3,0,0]=4 853 B9R0.47 NCCSCC(N)C(=O)O MCULE-7420723141 [0,1,0,0,0,0|3,0,0]=4 854 B9R0.47 NCCSCC(N)C(=O)O MCULE-9409306380 [0,1,0,0,0,0|3,0,0]=4 855 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-3159724083 [0,1,0,0,0,0|3,0,0]=4 856 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-4836746198 [0,1,0,0,0,0|3,0,0]=4 857 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6032940560 [0,1,0,0,0,0|3,0,0]=4 858 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6994785146 [0,1,0,0,0,0|3,0,0]=4 859 B9R0.47 NCC[Se]C[C@H](N)C(=O)O MCULE-1630938680 [0,1,0,0,0,0|3,0,0]=4 860 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [0,1,0,0,0,0|2,0,0]=3 861 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [0,1,0,0,0,0|2,0,0]=3 862 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [0,1,0,0,0,0|3,0,0]=4 863 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [0,1,0,0,0,0|3,0,0]=4 864 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [0,1,0,0,0,0|3,0,0]=4 865 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [0,1,0,0,0,0|3,0,0]=4 866 B9R0.47 N[C@@H](CCSN=O)C(=O)O MCULE-6471102114 [0,1,0,0,0,0|2,0,0]=3 867 B9R0.47 N[C@@H](CSCCO)C(=O)O MCULE-4219102659 [0,1,0,0,0,0|3,0,0]=4 868 B9R0.47 N[C@H](CSCCO)C(=O)O MCULE-6379323435 [0,1,0,0,0,0|3,0,0]=4 869 B9R0.47 O=C(O)C(Br)CCCCBr MCULE-9265332965 [0,1,0,0,0,0|2,0,0]=3 870 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [0,1,0,0,0,0|2,0,0]=3 871 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [0,1,0,0,0,0|2,0,0]=3 872 B9R0.47 [C@H](N)(CCNCC)C(=O)O MCULE-8327043663 [0,1,0,0,0,0|2,0,0]=3 873 B9R0.47 [C@H](N)(CSCC#C)C(=O)O MCULE-3451460749 [0,1,0,0,0,0|2,0,1]=4 874 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O MCULE-3468296516 [0,1,0,0,0,0|3,0,0]=4 875 B9R0.47 [N-]=[N+]=NCC[C@@H]([NH3+])C(=O)O MCULE-9960871536 [0,1,0,0,0,0|3,0,0]=4 876 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-3922595405 [0,1,0,0,0,0|3,0,0]=4 877 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-4625957807 [0,1,0,0,0,0|3,0,0]=4 878 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-5294285117 [0,1,0,0,0,0|3,0,0]=4 879 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-6236286481 [0,1,0,0,0,0|3,0,0]=4 880 B9R0.47 [N-]=[N+]=NCC[C@H](O)C(=O)O MCULE-6077907887 [0,1,0,0,0,0|2,0,0]=3 881 B9R0.47 [N-]=[N+]=NCC[C@H]([NH3+])C(=O)O MCULE-9804764124 [0,1,0,0,0,0|3,0,0]=4 882 B9R0.51 C=CCCC(C)(C)C(=O)O MCULE-1492058519 [0,1,0,0,0,0|2,0,1]=4 883 B9R0.51 C=CCC[C@@](C)(N)C(=O)O MCULE-8852684173 [0,1,0,0,0,0|2,0,1]=4 884 B9R0.51 C=CCC[C@](C)(N)C(=O)O MCULE-1635647275 [0,1,0,0,0,0|2,0,1]=4 885 B9R0.51 CC(C)(CCC#N)C(=O)O MCULE-6179801954 [0,1,0,0,0,0|3,0,0]=4 886 B9R0.51 CC(C)(CCCO)C(=O)O MCULE-8432032551 [0,1,0,0,0,0|3,0,0]=4 887 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-3848172930 [0,1,0,0,0,0|3,0,0]=4 888 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-8569683447 [0,1,0,0,0,0|3,0,0]=4 889 B9R0.51 CCCCC(C)(C)C(=O)C MCULE-3392309275 [0,1,0,0,0,0|3,0,0]=4 890 B9R0.51 CCCCC(C)(C)C(=O)O MCULE-6533628152 [0,1,0,0,0,0|2,0,0]=3 891 B9R0.51 CCCCC(C)(F)C(=O)O MCULE-3264455202 [0,1,0,0,0,0|2,0,0]=3 892 B9R0.51 CCCCC(C)(O)C(=O)O MCULE-4036610380 [0,1,0,0,0,0|1,0,0]=2 893 B9R0.51 CCCCC(F)(F)C(=O)O MCULE-3383573238 [0,1,0,0,0,0|2,0,0]=3 894 B9R0.51 CCOCC(C)(C)C(=O)O MCULE-3248915686 [0,1,0,0,0,0|3,0,0]=4 895 B9R0.51 COCCC(C)(C)C(=O)O MCULE-6792174270 [0,1,0,0,0,0|1,1,0]=3 896 B9R0.51 COCCC(C)(N)C(=O)O MCULE-5241047385 [0,1,0,0,0,0|1,1,0]=3 897 B9R1.5 CC1CCCCCC1=O MCULE-3737709008 [0,0,0,1,0,0|3,0,0]=4 898 B9R1.5 CC1CCCCNC1=O MCULE-6519247850 [0,0,0,1,0,0|3,0,0]=4 899 B9R1.5 CC1CCNCCC1=O MCULE-4416410353 [0,0,0,1,0,0|3,0,0]=4 900 B9R1.5 CC1CCNCCC1=O MCULE-7780011332 [0,0,0,1,0,0|3,0,0]=4 901 B9R1.5 NC1CCCCCC1=O MCULE-1905655125 [0,0,0,1,0,0|3,0,0]=4 902 B9R1.5 NC1CCCCCC1=O MCULE-7826089166 [0,0,0,1,0,0|3,0,0]=4 903 B9R1.5 NC1CCCCNC1=O MCULE-1440525393 [0,0,0,1,0,0|3,0,0]=4 904 B9R1.5 NC1CCCCNC1=O MCULE-9185446308 [0,0,0,1,0,0|3,0,0]=4 905 B9R1.5 NC1CCCCNC1=O MCULE-9575519565 [0,0,0,1,0,0|3,0,0]=4 906 B9R1.5 NC1CCCCNC1=O MCULE-9618135909 [0,0,0,1,0,0|3,0,0]=4 907 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-5153147263 [0,0,0,1,0,0|3,0,0]=4 908 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7391081425 [0,0,0,1,0,0|3,0,0]=4 909 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7745749225 [0,0,0,1,0,0|3,0,0]=4 910 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-8592559653 [0,0,0,1,0,0|3,0,0]=4 911 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1339098987 [0,0,0,1,0,0|3,0,0]=4 912 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1817473261 [0,0,0,1,0,0|3,0,0]=4 913 B9R1.5 N[C@H]1CCCCNC1=O MCULE-2707429520 [0,0,0,1,0,0|3,0,0]=4 914 B9R1.5 N[C@H]1CCCCNC1=O MCULE-9750792164 [0,0,0,1,0,0|3,0,0]=4 915 B9R1.5 O=C1CCCCCC1Br MCULE-8987490106 [0,0,0,1,0,0|3,0,0]=4 916 B9R1.5 O=C1CCCCCC1Cl MCULE-8475724231 [0,0,0,1,0,0|3,0,0]=4 917 B9R1.5 O=C1CCCCCC1F MCULE-9375666074 [0,0,0,1,0,0|3,0,0]=4 918 B9R1.5 O=C1CCCCCC1O MCULE-1763055677 [0,0,0,1,0,0|2,0,0]=3 919 B9R1.5 O=C1CCNCCC1Br MCULE-2617340721 [0,0,0,1,0,0|3,0,0]=4 920 B9R1.5 O=C1CCNCCC1Br MCULE-7631698969 [0,0,0,1,0,0|3,0,0]=4 921 B9R1.5 O=C1CCNCCC1F MCULE-5060609426 [0,0,0,1,0,0|3,0,0]=4 922 B9R1.5 O=C1CCNCCC1F MCULE-9571678689 [0,0,0,1,0,0|3,0,0]=4 923 B9R1.5 O=C1NCCCCC1Br MCULE-1879428965 [0,0,0,1,0,0|3,0,0]=4 924 B9R1.5 OC1CCCCCC1O MCULE-7682077273 [0,0,0,1,0,0|2,0,1]=4 925 B9R1.5 O[C@H]1CCCCC[C@@H]1O MCULE-9651607332 [0,0,0,1,0,0|2,0,1]=4 926 B9R1.6 C1(CC=CCC1)C(=O)O MCULE-7139174666 [0,0,0,1,0,0|2,0,1]=4 927 B9R1.6 C1(CCCNC1)C(=O)O MCULE-5804171064 [0,0,0,1,0,0|3,0,0]=4 928 B9R1.6 C1(CNCCN1)C(=O)O MCULE-2145678876 [0,0,0,1,0,0|3,0,0]=4 929 B9R1.6 C1(CNCCN1)C(=O)O MCULE-9477513225 [0,0,0,1,0,0|3,0,0]=4 930 B9R1.6 C1(COCCN1)C(=O)O MCULE-7653061162 [0,0,0,1,0,0|3,0,0]=4 931 B9R1.6 C1(COCCN1)C(=O)O MCULE-8375563970 [0,0,0,1,0,0|3,0,0]=4 932 B9R1.6 CC(=O)C1CCCCC1 MCULE-3582349091 [0,0,0,1,0,0|3,0,0]=4 933 B9R1.6 CC(=O)C1CCCCN1 MCULE-2854776557 [0,0,0,1,0,0|3,0,0]=4 934 B9R1.6 CC(=O)C1CCCCN1 MCULE-7483298696 [0,0,0,1,0,0|3,0,0]=4 935 B9R1.6 CC(=O)C1CCCCO1 MCULE-6292051941 [0,0,0,1,0,0|2,0,0]=3 936 B9R1.6 CC(=O)C1CCNCC1 MCULE-5629644359 [0,0,0,1,0,0|3,0,0]=4 937 B9R1.6 CC(=O)C1CCNCC1 MCULE-7994490746 [0,0,0,1,0,0|3,0,0]=4 938 B9R1.6 CC(=O)C1CCOCC1 MCULE-4829713073 [0,0,0,1,0,0|2,1,0]=4 939 B9R1.6 CC(=O)C1CCSCC1 MCULE-1825777359 [0,0,0,1,0,0|2,0,0]=3 940 B9R1.6 CC(=O)C1CNCCO1 MCULE-1332213026 [0,0,0,1,0,0|3,0,0]=4 941 B9R1.6 CC(=O)C1CNCCO1 MCULE-8599628301 [0,0,0,1,0,0|3,0,0]=4 942 B9R1.6 CC(=O)C1COCCO1 MCULE-5168266299 [0,0,0,1,0,0|3,0,0]=4 943 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-6225629414 [0,0,0,1,0,0|3,0,0]=4 944 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-9308955565 [0,0,0,1,0,0|3,0,0]=4 945 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6405789728 [0,0,0,1,0,0|3,0,0]=4 946 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6966774576 [0,0,0,1,0,0|3,0,0]=4 947 B9R1.6 NC(=O)C1CCCCC1 MCULE-8611311863 [0,0,0,1,0,0|3,0,0]=4 948 B9R1.6 NC(=O)C1CCCCN1 MCULE-2544126054 [0,0,0,1,0,0|3,0,0]=4 949 B9R1.6 NC(=O)C1CCCCN1 MCULE-6661716686 [0,0,0,1,0,0|3,0,0]=4 950 B9R1.6 NC(=O)C1CCNCC1 MCULE-8206211805 [0,0,0,1,0,0|3,0,0]=4 951 B9R1.6 NC(=O)C1CCNCC1 MCULE-8840746533 [0,0,0,1,0,0|3,0,0]=4 952 B9R1.6 NC(=O)C1CCOCC1 MCULE-1626473774 [0,0,0,1,0,0|2,1,0]=4 953 B9R1.6 NC(=O)C1CNCCO1 MCULE-7045289444 [0,0,0,1,0,0|3,0,0]=4 954 B9R1.6 NC(=O)C1CNCCO1 MCULE-8403360257 [0,0,0,1,0,0|3,0,0]=4 955 B9R1.6 NC(=O)C1CNCCO1 MCULE-8477654103 [0,0,0,1,0,0|3,0,0]=4 956 B9R1.6 NC(=O)[C@H]1CCCCN1 MCULE-5554529404 [0,0,0,1,0,0|3,0,0]=4 957 B9R1.6 O=C(Cl)C1CCCCC1 MCULE-5867897390 [0,0,0,1,0,0|3,0,0]=4 958 B9R1.6 O=C(Cl)C1CCCCO1 MCULE-2871405989 [0,0,0,1,0,0|2,0,0]=3 959 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-6549888109 [0,0,0,1,0,0|3,0,0]=4 960 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-7154842850 [0,0,0,1,0,0|3,0,0]=4 961 B9R1.6 O=C(Cl)C1CCOCC1 MCULE-5435965006 [0,0,0,1,0,0|2,1,0]=4 962 B9R1.6 O=C(Cl)C1CCSCC1 MCULE-2089111376 [0,0,0,1,0,0|2,0,0]=3 963 B9R1.6 O=C(Cl)N1CCSCC1 MCULE-7153763312 [0,0,0,1,0,0|3,0,0]=4 964 B9R1.6 O=C(O)C1=CCCCC1 MCULE-1482472372 [0,0,0,1,0,0|2,0,1]=4 965 B9R1.6 O=C(O)C1=CCCCO1 MCULE-8158964792 [0,0,0,1,0,0|1,0,2]=4 966 B9R1.6 O=C(O)C1=CCNCC1 MCULE-7813592729 [0,0,0,1,0,0|2,0,1]=4 967 B9R1.6 O=C(O)C1=CCNCC1 MCULE-9446043448 [0,0,0,1,0,0|2,0,1]=4 968 B9R1.6 O=C(O)C1=CCOCC1 MCULE-8602474600 [0,0,0,1,0,0|1,1,1]=4 969 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [0,0,0,1,0,0|2,0,1]=4 970 B9R1.6 O=C(O)C1CC=CCC1 MCULE-6262725586 [0,0,0,1,0,0|2,0,1]=4 971 B9R1.6 O=C(O)C1CC=CCO1 MCULE-5751437850 [0,0,0,1,0,0|1,0,1]=3 972 B9R1.6 O=C(O)C1CCC=CO1 MCULE-6447977583 [0,0,0,1,0,0|1,0,1]=3 973 B9R1.6 O=C(O)C1CCCCC1 MCULE-2193918964 [0,0,0,1,0,0|2,0,0]=3 974 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [0,0,0,1,0,0|2,0,0]=3 975 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [0,0,0,1,0,0|2,0,0]=3 976 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [0,0,0,1,0,0|2,0,0]=3 977 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [0,0,0,1,0,0|2,0,0]=3 978 B9R1.6 O=C(O)C1CCCCO1 MCULE-8947688342 [0,0,0,1,0,0|1,0,0]=2 979 B9R1.6 O=C(O)C1CCCCS1 MCULE-6466357833 [0,0,0,1,0,0|1,1,0]=3 980 B9R1.6 O=C(O)C1CCCNC1 MCULE-3189529983 [0,0,0,1,0,0|3,0,0]=4 981 B9R1.6 O=C(O)C1CCCNC1 MCULE-5698100100 [0,0,0,1,0,0|3,0,0]=4 982 B9R1.6 O=C(O)C1CCCNC1 MCULE-9486003126 [0,0,0,1,0,0|3,0,0]=4 983 B9R1.6 O=C(O)C1CCCNN1 MCULE-1480488255 [0,0,0,1,0,0|3,0,0]=4 984 B9R1.6 O=C(O)C1CCCNN1 MCULE-3054116225 [0,0,0,1,0,0|3,0,0]=4 985 B9R1.6 O=C(O)C1CCCOC1 MCULE-3431951803 [0,0,0,1,0,0|3,0,0]=4 986 B9R1.6 O=C(O)C1CCCSC1 MCULE-1777528306 [0,0,0,1,0,0|3,0,0]=4 987 B9R1.6 O=C(O)C1CCNCC1 MCULE-5699874022 [0,0,0,1,0,0|2,0,0]=3 988 B9R1.6 O=C(O)C1CCNCC1 MCULE-7477545245 [0,0,0,1,0,0|2,0,0]=3 989 B9R1.6 O=C(O)C1CCOCC1 MCULE-4725122837 [0,0,0,1,0,0|1,1,0]=3 990 B9R1.6 O=C(O)C1CCOCN1 MCULE-2724570105 [0,0,0,1,0,0|1,1,0]=3 991 B9R1.6 O=C(O)C1CCOCN1 MCULE-7891527992 [0,0,0,1,0,0|1,1,0]=3 992 B9R1.6 O=C(O)C1CCSCC1 MCULE-5031108601 [0,0,0,1,0,0|1,0,0]=2 993 B9R1.6 O=C(O)C1CCSCN1 MCULE-7351632016 [0,0,0,1,0,0|1,0,0]=2 994 B9R1.6 O=C(O)C1CCSCN1 MCULE-7786919982 [0,0,0,1,0,0|1,0,0]=2 995 B9R1.6 O=C(O)C1CNCCN1 MCULE-2689074129 [0,0,0,1,0,0|3,0,0]=4 996 B9R1.6 O=C(O)C1CNCCN1 MCULE-4697614875 [0,0,0,1,0,0|3,0,0]=4 997 B9R1.6 O=C(O)C1CNCCN1 MCULE-7015381558 [0,0,0,1,0,0|3,0,0]=4 998 B9R1.6 O=C(O)C1CNCCO1 MCULE-1106448255 [0,0,0,1,0,0|2,0,0]=3 999 B9R1.6 O=C(O)C1CNCCO1 MCULE-5402647836 [0,0,0,1,0,0|2,0,0]=3 1000 B9R1.6 O=C(O)C1CNCCO1 MCULE-5647993069 [0,0,0,1,0,0|2,0,0]=3 1001 B9R1.6 O=C(O)C1CNCCO1 MCULE-6949638629 [0,0,0,1,0,0|2,0,0]=3 1002 B9R1.6 O=C(O)C1CNCCS1 MCULE-3981762124 [0,0,0,1,0,0|2,1,0]=4 1003 B9R1.6 O=C(O)C1CNCCS1 MCULE-4631923202 [0,0,0,1,0,0|2,1,0]=4 1004 B9R1.6 O=C(O)C1COCCN1 MCULE-2235592409 [0,0,0,1,0,0|3,0,0]=4 1005 B9R1.6 O=C(O)C1COCCN1 MCULE-6865044459 [0,0,0,1,0,0|3,0,0]=4 1006 B9R1.6 O=C(O)C1COCCO1 MCULE-3887767361 [0,0,0,1,0,0|2,0,0]=3 1007 B9R1.6 O=C(O)C1COCCO1 MCULE-6027603960 [0,0,0,1,0,0|2,0,0]=3 1008 B9R1.6 O=C(O)C1CSCCN1 MCULE-4003309722 [0,0,0,1,0,0|3,0,0]=4 1009 B9R1.6 O=C(O)C1CSCCN1 MCULE-5519716572 [0,0,0,1,0,0|3,0,0]=4 1010 B9R1.6 O=C(O)C1CSCCS1 MCULE-6267524662 [0,0,0,1,0,0|2,1,0]=4 1011 B9R1.6 O=C(O)C1NCCCS1 MCULE-7316372918 [0,0,0,1,0,0|2,1,0]=4 1012 B9R1.6 O=C(O)C1OCCCO1 MCULE-6505925267 [0,0,0,1,0,0|2,0,0]=3 1013 B9R1.6 O=C(O)C1SCCCS1 MCULE-6447130734 [0,0,0,1,0,0|2,1,0]=4 1014 B9R1.6 O=C(O)C1SCSCS1 MCULE-6847986458 [0,0,0,1,0,0|1,1,0]=3 1015 B9R1.6 O=C(O)N1CCCCC1 MCULE-2727154893 [0,0,0,1,0,0|3,0,0]=4 1016 B9R1.6 O=C(O)N1CCCCC1 MCULE-4559010344 [0,0,0,1,0,0|3,0,0]=4 1017 B9R1.6 O=C(O)N1CCNCC1 MCULE-3508385346 [0,0,0,1,0,0|3,0,0]=4 1018 B9R1.6 O=C(O)N1CCOCC1 MCULE-7938310937 [0,0,0,1,0,0|2,1,0]=4 1019 B9R1.6 O=C(O)N1CCSCC1 MCULE-4867596495 [0,0,0,1,0,0|2,0,0]=3 1020 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-1597942572 [0,0,0,1,0,0|2,0,1]=4 1021 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-6215840629 [0,0,0,1,0,0|2,0,1]=4 1022 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [0,0,0,1,0,0|2,0,0]=3 1023 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [0,0,0,1,0,0|2,0,0]=3 1024 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [0,0,0,1,0,0|2,0,0]=3 1025 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [0,0,0,1,0,0|2,0,0]=3 1026 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-4995364653 [0,0,0,1,0,0|1,0,0]=2 1027 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-8767901302 [0,0,0,1,0,0|1,0,0]=2 1028 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-3206278693 [0,0,0,1,0,0|3,0,0]=4 1029 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-5509362549 [0,0,0,1,0,0|3,0,0]=4 1030 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-8357747886 [0,0,0,1,0,0|3,0,0]=4 1031 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-9156802088 [0,0,0,1,0,0|3,0,0]=4 1032 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-1404699605 [0,0,0,1,0,0|3,0,0]=4 1033 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-4463982289 [0,0,0,1,0,0|3,0,0]=4 1034 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-6113826647 [0,0,0,1,0,0|3,0,0]=4 1035 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-8270310960 [0,0,0,1,0,0|3,0,0]=4 1036 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-9211958407 [0,0,0,1,0,0|3,0,0]=4 1037 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-2545046706 [0,0,0,1,0,0|3,0,0]=4 1038 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-5694807182 [0,0,0,1,0,0|3,0,0]=4 1039 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7177432982 [0,0,0,1,0,0|3,0,0]=4 1040 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7413709257 [0,0,0,1,0,0|3,0,0]=4 1041 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-3078161658 [0,0,0,1,0,0|2,0,0]=3 1042 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-4550123668 [0,0,0,1,0,0|2,0,0]=3 1043 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7218215777 [0,0,0,1,0,0|2,0,0]=3 1044 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7983160968 [0,0,0,1,0,0|2,0,0]=3 1045 B9R1.6 O=C(O)[C@@H]1CNCCS1 MCULE-6650545170 [0,0,0,1,0,0|2,1,0]=4 1046 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-1789021231 [0,0,0,1,0,0|3,0,0]=4 1047 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-4026574279 [0,0,0,1,0,0|3,0,0]=4 1048 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-7736477261 [0,0,0,1,0,0|3,0,0]=4 1049 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-8166049277 [0,0,0,1,0,0|3,0,0]=4 1050 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-3560012987 [0,0,0,1,0,0|2,0,0]=3 1051 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-8883141087 [0,0,0,1,0,0|2,0,0]=3 1052 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-3905601111 [0,0,0,1,0,0|3,0,0]=4 1053 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9668825603 [0,0,0,1,0,0|3,0,0]=4 1054 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9675980130 [0,0,0,1,0,0|3,0,0]=4 1055 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-5009469360 [0,0,0,1,0,0|2,0,1]=4 1056 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-9797420475 [0,0,0,1,0,0|2,0,1]=4 1057 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [0,0,0,1,0,0|2,0,0]=3 1058 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [0,0,0,1,0,0|2,0,0]=3 1059 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [0,0,0,1,0,0|2,0,0]=3 1060 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [0,0,0,1,0,0|2,0,0]=3 1061 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-2856988466 [0,0,0,1,0,0|1,0,0]=2 1062 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-8960602925 [0,0,0,1,0,0|1,0,0]=2 1063 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-5644771403 [0,0,0,1,0,0|3,0,0]=4 1064 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-6473613352 [0,0,0,1,0,0|3,0,0]=4 1065 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-7395918259 [0,0,0,1,0,0|3,0,0]=4 1066 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-8202628107 [0,0,0,1,0,0|3,0,0]=4 1067 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-5460978548 [0,0,0,1,0,0|3,0,0]=4 1068 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-6296084302 [0,0,0,1,0,0|3,0,0]=4 1069 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-3913162278 [0,0,0,1,0,0|3,0,0]=4 1070 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-4021468329 [0,0,0,1,0,0|3,0,0]=4 1071 B9R1.6 O=C(O)[C@H]1CCCSC1 MCULE-1373166628 [0,0,0,1,0,0|3,0,0]=4 1072 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-2073761586 [0,0,0,1,0,0|3,0,0]=4 1073 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-3099021896 [0,0,0,1,0,0|3,0,0]=4 1074 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-5862899979 [0,0,0,1,0,0|3,0,0]=4 1075 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-8591926633 [0,0,0,1,0,0|3,0,0]=4 1076 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-9781518658 [0,0,0,1,0,0|3,0,0]=4 1077 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-1051281674 [0,0,0,1,0,0|2,0,0]=3 1078 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-2477891803 [0,0,0,1,0,0|2,0,0]=3 1079 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-5182952887 [0,0,0,1,0,0|2,0,0]=3 1080 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-6051376580 [0,0,0,1,0,0|2,0,0]=3 1081 B9R1.6 O=C(O)[C@H]1CNCCS1 MCULE-7818958113 [0,0,0,1,0,0|2,1,0]=4 1082 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-2388461804 [0,0,0,1,0,0|3,0,0]=4 1083 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-3810653827 [0,0,0,1,0,0|3,0,0]=4 1084 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-6589310258 [0,0,0,1,0,0|3,0,0]=4 1085 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-9158991594 [0,0,0,1,0,0|3,0,0]=4 1086 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-6591475838 [0,0,0,1,0,0|2,0,0]=3 1087 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-9849453248 [0,0,0,1,0,0|2,0,0]=3 1088 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-2174373928 [0,0,0,1,0,0|3,0,0]=4 1089 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-5936347595 [0,0,0,1,0,0|3,0,0]=4 1090 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-8464504119 [0,0,0,1,0,0|3,0,0]=4 1091 B9R1.6 O=C([O-])C1CCC=CO1 MCULE-8478897142 [0,0,0,1,0,0|1,0,2]=4 1092 B9R1.6 O=C([O-])C1CCCCC1 MCULE-2430887278 [0,0,0,1,0,0|2,0,1]=4 1093 B9R1.6 O=C([O-])C1CCCCN1 MCULE-2358540296 [0,0,0,1,0,0|2,0,1]=4 1094 B9R1.6 O=S(O)C1CCCCC1 MCULE-2447383910 [0,0,0,1,0,0|3,0,0]=4 1095 B9R1.6 [C@H]1(CSCCN1)C(=O)O MCULE-2592294388 [0,0,0,1,0,0|3,0,0]=4 1096 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,0,0,1,0,0|3,0,0]=4 1097 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,0,0,1,0,0|2,0,0]=3 1098 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [0,0,0,1,0,0|2,0,0]=3 1099 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [0,0,0,1,0,0|2,0,0]=3 1100 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [0,0,0,1,0,0|2,0,1]=4 1101 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [0,0,0,1,0,0|3,0,0]=4 1102 B9R1.35 CC(=O)C1CCN(C1)C MCULE-4293303594 [0,0,0,1,0,0|3,0,0]=4 1103 B9R1.35 CC1=CC(SC1)C(=O)O MCULE-1599288333 [0,0,0,1,0,0|3,0,0]=4 1104 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [0,0,0,1,0,0|2,0,0]=3 1105 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [0,0,0,1,0,0|2,0,0]=3 1106 B9R1.35 CC1=NC(CS1)C(=O)O MCULE-2658936955 [0,0,0,1,0,0|3,0,0]=4 1107 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [0,0,0,1,0,0|3,0,0]=4 1108 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,0,0,1,0,0|2,0,0]=3 1109 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,0,0,1,0,0|2,0,0]=3 1110 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,0,0,1,0,0|2,0,0]=3 1111 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,0,0,1,0,0|1,0,0]=2 1112 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,0,0,1,0,0|3,0,0]=4 1113 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,0,0,1,0,0|3,0,0]=4 1114 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [0,0,0,1,0,0|3,0,0]=4 1115 B9R1.35 CC1NC(CS1)C(=O)O MCULE-3100233154 [0,0,0,1,0,0|3,0,0]=4 1116 B9R1.35 CC1N[C@H](CS1)C(=O)O MCULE-6392464999 [0,0,0,1,0,0|3,0,0]=4 1117 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [0,0,0,1,0,0|2,0,0]=3 1118 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [0,0,0,1,0,0|2,0,0]=3 1119 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [0,0,0,1,0,0|2,0,0]=3 1120 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [0,0,0,1,0,0|2,0,0]=3 1121 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [0,0,0,1,0,0|2,0,0]=3 1122 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [0,0,0,1,0,0|2,0,0]=3 1123 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [0,0,0,1,0,0|2,0,0]=3 1124 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [0,0,0,1,0,0|2,0,0]=3 1125 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,0,0,1,0,0|2,0,0]=3 1126 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,0,0,1,0,0|2,0,0]=3 1127 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,0,0,1,0,0|1,0,0]=2 1128 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,0,0,1,0,0|1,0,0]=2 1129 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,0,0,1,0,0|2,0,0]=3 1130 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,0,0,1,0,0|2,0,0]=3 1131 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,0,0,1,0,0|2,0,0]=3 1132 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,0,0,1,0,0|2,0,0]=3 1133 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,0,0,1,0,0|2,0,0]=3 1134 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,0,0,1,0,0|2,0,0]=3 1135 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,0,0,1,0,0|3,0,0]=4 1136 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,0,0,1,0,0|3,0,0]=4 1137 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,0,0,1,0,0|3,0,0]=4 1138 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,0,0,1,0,0|3,0,0]=4 1139 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,0,0,1,0,0|2,0,0]=3 1140 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,0,0,1,0,0|2,0,0]=3 1141 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,0,0,1,0,0|2,0,0]=3 1142 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,0,0,1,0,0|2,0,0]=3 1143 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,0,0,1,0,0|3,0,0]=4 1144 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,0,0,1,0,0|3,0,0]=4 1145 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,0,0,1,0,0|3,0,0]=4 1146 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,0,0,1,0,0|3,0,0]=4 1147 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,0,0,1,0,0|3,0,0]=4 1148 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,0,0,1,0,0|3,0,0]=4 1149 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,0,0,1,0,0|3,0,0]=4 1150 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,0,0,1,0,0|3,0,0]=4 1151 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,0,0,1,0,0|3,0,0]=4 1152 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,0,0,1,0,0|3,0,0]=4 1153 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,0,0,1,0,0|3,0,0]=4 1154 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,0,0,1,0,0|3,0,0]=4 1155 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,0,0,1,0,0|3,0,0]=4 1156 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,0,0,1,0,0|3,0,0]=4 1157 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,0,0,1,0,0|3,0,0]=4 1158 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,0,0,1,0,0|3,0,0]=4 1159 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,0,0,1,0,0|3,0,0]=4 1160 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,0,0,1,0,0|3,0,0]=4 1161 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,0,0,1,0,0|3,0,0]=4 1162 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,0,0,1,0,0|3,0,0]=4 1163 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,0,0,1,0,0|3,0,0]=4 1164 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,0,0,1,0,0|3,0,0]=4 1165 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,0,0,1,0,0|3,0,0]=4 1166 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,0,0,1,0,0|3,0,0]=4 1167 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,0,0,1,0,0|3,0,0]=4 1168 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,0,0,1,0,0|3,0,0]=4 1169 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,0,0,1,0,0|3,0,0]=4 1170 B9R1.35 O=C(O)C1OC(CS1)O MCULE-2827262093 [0,0,0,1,0,0|3,0,0]=4 1171 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,0,0,1,0,0|3,0,0]=4 1172 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,0,0,1,0,0|3,0,0]=4 1173 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,0,0,1,0,0|3,0,0]=4 1174 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,0,0,1,0,0|3,0,0]=4 1175 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,0,0,1,0,0|3,0,0]=4 1176 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,0,0,1,0,0|3,0,0]=4 1177 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,0,0,1,0,0|3,0,0]=4 1178 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,0,0,1,0,0|3,0,0]=4 1179 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,0,0,1,0,0|3,0,0]=4 1180 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,0,0,1,0,0|2,0,0]=3 1181 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,0,0,1,0,0|2,1,0]=4 1182 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,0,0,1,0,0|3,0,0]=4 1183 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,0,0,1,0,0|3,0,0]=4 1184 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,0,0,1,0,0|3,0,0]=4 1185 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,0,0,1,0,0|3,0,0]=4 1186 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl MCULE-2420158992 [0,0,0,1,0,0|3,0,0]=4 1187 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,0,0,1,0,0|2,0,0]=3 1188 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,0,0,1,0,0|2,0,0]=3 1189 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,0,0,1,0,0|3,0,0]=4 1190 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,0,0,1,0,0|3,0,0]=4 1191 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,0,0,1,0,0|3,0,0]=4 1192 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,0,0,1,0,0|3,0,0]=4 1193 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,0,0,1,0,0|3,0,0]=4 1194 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl MCULE-2111028314 [0,0,0,1,0,0|3,0,0]=4 1195 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,0,0,1,0,0|2,0,0]=3 1196 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,0,0,1,0,0|2,0,0]=3 1197 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,0,0,1,0,0|2,1,0]=4 1198 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [0,0,0,1,0,0|3,0,0]=4 1199 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [0,0,0,1,0,0|3,0,0]=4 1200 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [0,0,0,1,0,0|3,0,0]=4 1201 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [0,0,0,1,0,0|3,0,0]=4 1202 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,0,0,1,0,0|3,0,0]=4 1203 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,0,0,1,0,0|3,0,0]=4 1204 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [0,0,0,1,0,0|2,0,1]=4 1205 B9R1.59 CCCC1CC1C(=O)O MCULE-5011491615 [0,0,0,1,0,0|2,0,0]=3 1206 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O MCULE-8208745989 [0,0,0,1,0,0|2,0,0]=3 1207 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O MCULE-1448060038 [0,0,0,1,0,0|2,0,0]=3 1208 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O MCULE-6634735984 [0,0,0,1,0,0|2,0,0]=3 1209 B9R1.59 CCOC1CC1C(=O)O MCULE-2083001018 [0,0,0,1,0,0|3,0,0]=4 1210 B9R1.59 CCO[C@@H]1C[C@H]1C(=O)O MCULE-4372225112 [0,0,0,1,0,0|3,0,0]=4 1211 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O MCULE-5085446325 [0,0,0,1,0,0|3,0,0]=4 1212 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O MCULE-9183962958 [0,0,0,1,0,0|1,1,0]=3 1213 B9R1.69 CC1CCC(C(=O)C1)C MCULE-1189470004 [0,0,0,1,0,0|3,0,0]=4 1214 B9R1.69 CC1CCC(C(=O)N1)N MCULE-4681937866 [0,0,0,1,0,0|3,0,0]=4 1215 B9R1.69 O=C1CCC(C(=O)O1)Br MCULE-6965029544 [0,0,0,1,0,0|3,0,0]=4 1216 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O MCULE-4179168539 [0,0,0,1,0,0|2,0,1]=4 1217 B9R1.93 CCC1CC1(N)C(=O)O MCULE-5139419329 [0,0,0,1,0,0|2,0,0]=3 1218 B9R1.95 CCC1CC(C1)C(=O)O MCULE-4399154195 [0,0,0,1,0,0|2,0,0]=3 1219 B9R1.95 CCC1CC(C1)C(=O)O MCULE-6408590394 [0,0,0,1,0,0|2,0,0]=3 1220 B9R1.95 CCN1CC(C1)C(=O)O MCULE-3132525132 [0,0,0,1,0,0|3,0,0]=4 1221 B9R1.95 CNC1CC(C1)C(=O)O MCULE-1477649750 [0,0,0,1,0,0|2,0,0]=3 1222 B9R1.95 CNC1CC(C1)C(=O)O MCULE-2034598338 [0,0,0,1,0,0|2,0,0]=3 1223 B9R1.95 COC1CC(C1)C(=O)C MCULE-5091337590 [0,0,0,1,0,0|2,1,0]=4 1224 B9R1.95 COC1CC(C1)C(=O)O MCULE-8232247707 [0,0,0,1,0,0|1,1,0]=3 1225 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O MCULE-4399635730 [0,0,0,1,0,0|1,1,0]=3 1226 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O MCULE-1315313306 [0,0,0,1,0,0|1,1,0]=3 1227 B9R1.95 N#CC1CC(C1)C(=O)O MCULE-9043105457 [0,0,0,1,0,0|3,0,0]=4 1228 B9R1.95 NCC1CC(C1)C(=O)O MCULE-5139246766 [0,0,0,1,0,0|3,0,0]=4 1229 B9R1.95 NCC1CC(C1)C(=O)O MCULE-9472863522 [0,0,0,1,0,0|3,0,0]=4 1230 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-5593414975 [0,0,0,1,0,0|3,0,0]=4 1231 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-9152509638 [0,0,0,1,0,0|3,0,0]=4 1232 B9R1.95 O=C(O)C1CC(C1)CBr MCULE-6774883657 [0,0,0,1,0,0|3,0,0]=4 1233 B9R1.95 O=C(O)C1CC(C1)CF MCULE-2946863798 [0,0,0,1,0,0|3,0,0]=4 1234 B9R1.95 O=C(O)C1CC(C1)CO MCULE-8568823768 [0,0,0,1,0,0|3,0,0]=4 1235 B9R1.95 O=C(O)[C@H]1C[C@@H](C1)CO MCULE-5347571520 [0,0,0,1,0,0|3,0,0]=4 1236 B9R1.95 O=C(O)[C@H]1C[C@H](C1)CO MCULE-6623890968 [0,0,0,1,0,0|3,0,0]=4 1237 B9R1.110 C(N)(C(=O)O)C1CCC1 MCULE-9659994288 [0,0,0,1,0,0|2,0,0]=3 1238 B9R1.110 C(N)(C(=O)O)C1COC1 MCULE-5400337176 [0,0,0,1,0,0|1,1,0]=3 1239 B9R1.110 C=C(C(=O)O)C1CCC1 MCULE-2578265979 [0,0,0,1,0,0|2,0,1]=4 1240 B9R1.110 CC(C(=O)N)C1CNC1 MCULE-8664603287 [0,0,0,1,0,0|3,0,0]=4 1241 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-1352377374 [0,0,0,1,0,0|2,0,0]=3 1242 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-3278183132 [0,0,0,1,0,0|2,0,0]=3 1243 B9R1.110 CC(C(=O)O)C1CCO1 MCULE-4481804660 [0,0,0,1,0,0|3,0,0]=4 1244 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-3425038216 [0,0,0,1,0,0|2,0,0]=3 1245 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-8368638713 [0,0,0,1,0,0|2,0,0]=3 1246 B9R1.110 CC(C(=O)O)C1COC1 MCULE-1438881074 [0,0,0,1,0,0|1,1,0]=3 1247 B9R1.110 CC(C(=O)O)N1CCC1 MCULE-9923940575 [0,0,0,1,0,0|3,0,0]=4 1248 B9R1.110 NC(=O)C(N)C1CCC1 MCULE-3518352563 [0,0,0,1,0,0|3,0,0]=4 1249 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-3775442501 [0,0,0,1,0,0|2,0,0]=3 1250 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-4685141546 [0,0,0,1,0,0|2,0,0]=3 1251 B9R1.110 NC(C(=O)O)C1COC1 MCULE-1331194239 [0,0,0,1,0,0|1,1,0]=3 1252 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-2214697836 [0,0,0,1,0,0|2,0,0]=3 1253 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-7786634114 [0,0,0,1,0,0|2,0,0]=3 1254 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-8265180180 [0,0,0,1,0,0|2,0,0]=3 1255 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-9469768507 [0,0,0,1,0,0|2,0,0]=3 1256 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4389145324 [0,0,0,1,0,0|1,1,0]=3 1257 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4852474986 [0,0,0,1,0,0|1,1,0]=3 1258 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-4701147798 [0,0,0,1,0,0|2,0,0]=3 1259 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-5196473423 [0,0,0,1,0,0|2,0,0]=3 1260 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-8882106256 [0,0,0,1,0,0|2,0,0]=3 1261 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-3016057788 [0,0,0,1,0,0|1,1,0]=3 1262 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-8770476335 [0,0,0,1,0,0|1,1,0]=3 1263 B9R1.110 O=C(O)C(=O)C1CCC1 MCULE-3680158952 [0,0,0,1,0,0|1,0,2]=4 1264 B9R1.110 O=C(O)C(Br)C1CCC1 MCULE-4353551170 [0,0,0,1,0,0|2,0,0]=3 1265 B9R1.110 O=C(O)C(F)C1CCC1 MCULE-8989287343 [0,0,0,1,0,0|2,0,0]=3 1266 B9R1.110 O=C(O)C(O)C1CCC1 MCULE-8720651836 [0,0,0,1,0,0|1,0,0]=2 1267 B9R1.110 O=C(O)[C@@H](O)C1CCC1 MCULE-7295025986 [0,0,0,1,0,0|1,0,0]=2 1268 B9R1.110 O=C(O)[C@H](O)C1CCC1 MCULE-7776940136 [0,0,0,1,0,0|1,0,0]=2 1269 B9R1.112 CC(CC1CC1)C(=O)O MCULE-6769587353 [0,0,0,1,0,0|2,0,0]=3 1270 B9R1.112 CC(SC1CC1)C(=O)O MCULE-6918133296 [0,0,0,1,0,0|3,0,0]=4 1271 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-2919785082 [0,0,0,1,0,0|3,0,0]=4 1272 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-4729598853 [0,0,0,1,0,0|3,0,0]=4 1273 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-3167502244 [0,0,0,1,0,0|3,0,0]=4 1274 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-8140131300 [0,0,0,1,0,0|3,0,0]=4 1275 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-4142673004 [0,0,0,1,0,0|3,0,0]=4 1276 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-6535973441 [0,0,0,1,0,0|3,0,0]=4 1277 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2093088646 [0,0,0,1,0,0|2,0,0]=3 1278 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2184599799 [0,0,0,1,0,0|2,0,0]=3 1279 B9R1.112 NC(CC1CC1)C(=O)O MCULE-6147797529 [0,0,0,1,0,0|2,0,0]=3 1280 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-6048291861 [0,0,0,1,0,0|2,0,0]=3 1281 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-9266785362 [0,0,0,1,0,0|2,0,0]=3 1282 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-5333410932 [0,0,0,1,0,0|2,0,0]=3 1283 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-6150609140 [0,0,0,1,0,0|2,0,0]=3 1284 B9R1.112 O=C(O)C(=O)CC1CC1 MCULE-2914009662 [0,0,0,1,0,0|1,0,2]=4 1285 B9R1.112 O=C(O)C(F)CC1CC1 MCULE-2152276709 [0,0,0,1,0,0|2,0,0]=3 1286 B9R1.112 O=C(O)C(O)CC1CC1 MCULE-7898828154 [0,0,0,1,0,0|1,0,0]=2 1287 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-3864076940 [0,0,0,1,0,0|1,0,0]=2 1288 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-5498784709 [0,0,0,1,0,0|1,0,0]=2 1289 B9R1.163 CC(=O)C1(CCCC1)C MCULE-7946764519 [0,0,0,1,0,0|3,0,0]=4 1290 B9R1.163 CC(=O)C1(CCCC1)N MCULE-1766488888 [0,0,0,1,0,0|3,0,0]=4 1291 B9R1.163 CC(=O)C1(CCCC1)N MCULE-2390313394 [0,0,0,1,0,0|3,0,0]=4 1292 B9R1.163 CC(=O)C1(CCCC1)O MCULE-4607553416 [0,0,0,1,0,0|2,0,0]=3 1293 B9R1.163 CC1(C=CCC1)C(=O)O MCULE-5900825388 [0,0,0,1,0,0|2,0,1]=4 1294 B9R1.163 CC1(CC=CC1)C(=O)O MCULE-6612456038 [0,0,0,1,0,0|2,0,1]=4 1295 B9R1.163 CC1(CCCC1)C(=O)Cl MCULE-6905026517 [0,0,0,1,0,0|3,0,0]=4 1296 B9R1.163 CC1(CCCC1)C(=O)O MCULE-8150530718 [0,0,0,1,0,0|2,0,0]=3 1297 B9R1.163 CC1(CCCN1)C(=O)O MCULE-2669113714 [0,0,0,1,0,0|3,0,0]=4 1298 B9R1.163 CC1(CCCN1)C(=O)O MCULE-3184723558 [0,0,0,1,0,0|3,0,0]=4 1299 B9R1.163 CC1(CCCN1)C(=O)O MCULE-5494365974 [0,0,0,1,0,0|3,0,0]=4 1300 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9532642299 [0,0,0,1,0,0|3,0,0]=4 1301 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9805069526 [0,0,0,1,0,0|3,0,0]=4 1302 B9R1.163 CC1(CCCO1)C(=O)O MCULE-9576233735 [0,0,0,1,0,0|3,0,0]=4 1303 B9R1.163 CC1(CCCS1)C(=O)O MCULE-3409370715 [0,0,0,1,0,0|3,0,0]=4 1304 B9R1.163 CC1(CCNC1)C(=O)N MCULE-9618767565 [0,0,0,1,0,0|3,0,0]=4 1305 B9R1.163 CC1(CCNC1)C(=O)O MCULE-2715430873 [0,0,0,1,0,0|2,0,0]=3 1306 B9R1.163 CC1(CCNC1)C(=O)O MCULE-4084355022 [0,0,0,1,0,0|2,0,0]=3 1307 B9R1.163 CC1(CCOC1)C(=O)O MCULE-6893882009 [0,0,0,1,0,0|1,1,0]=3 1308 B9R1.163 CC1(CSSC1)C(=O)N MCULE-8448182442 [0,0,0,1,0,0|3,0,0]=4 1309 B9R1.163 CC1(CSSC1)C(=O)O MCULE-1267186189 [0,0,0,1,0,0|2,0,0]=3 1310 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-2607591453 [0,0,0,1,0,0|3,0,0]=4 1311 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-6141960789 [0,0,0,1,0,0|3,0,0]=4 1312 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-7011144386 [0,0,0,1,0,0|3,0,0]=4 1313 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-8922118927 [0,0,0,1,0,0|3,0,0]=4 1314 B9R1.163 C[C@@]1(CCCO1)C(=O)O MCULE-5169117592 [0,0,0,1,0,0|3,0,0]=4 1315 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3070355045 [0,0,0,1,0,0|2,0,0]=3 1316 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3719506215 [0,0,0,1,0,0|2,0,0]=3 1317 B9R1.163 C[C@@]1(CCOC1)C(=O)O MCULE-5585882923 [0,0,0,1,0,0|1,1,0]=3 1318 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-6724020872 [0,0,0,1,0,0|3,0,0]=4 1319 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-7675502884 [0,0,0,1,0,0|3,0,0]=4 1320 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-8343149548 [0,0,0,1,0,0|3,0,0]=4 1321 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-9260269719 [0,0,0,1,0,0|3,0,0]=4 1322 B9R1.163 C[C@]1(CCCO1)C(=O)O MCULE-3910400790 [0,0,0,1,0,0|3,0,0]=4 1323 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-1423230640 [0,0,0,1,0,0|2,0,0]=3 1324 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-7327407576 [0,0,0,1,0,0|2,0,0]=3 1325 B9R1.163 NC(=O)C1(CCCC1)N MCULE-1603183997 [0,0,0,1,0,0|3,0,0]=4 1326 B9R1.163 NC(=O)C1(CCCC1)N MCULE-6535833155 [0,0,0,1,0,0|3,0,0]=4 1327 B9R1.163 NC(=O)C1(CCCC1)O MCULE-7750018506 [0,0,0,1,0,0|2,0,0]=3 1328 B9R1.163 NC(=O)C1(CCNC1)F MCULE-2967472132 [0,0,0,1,0,0|3,0,0]=4 1329 B9R1.163 NC(=O)C1(CCNC1)O MCULE-3402125568 [0,0,0,1,0,0|2,0,0]=3 1330 B9R1.163 NC(=O)C1(CCNC1)O MCULE-4107989965 [0,0,0,1,0,0|2,0,0]=3 1331 B9R1.163 NC(=O)C1(CCSC1)N MCULE-1255795217 [0,0,0,1,0,0|2,0,0]=3 1332 B9R1.163 NC(=O)C1(CCSC1)O MCULE-2351837625 [0,0,0,1,0,0|1,0,0]=2 1333 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-1445980877 [0,0,0,1,0,0|2,0,1]=4 1334 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-5381827504 [0,0,0,1,0,0|2,0,1]=4 1335 B9R1.163 NC1(CCCC1)C(=O)O MCULE-6366286422 [0,0,0,1,0,0|2,0,0]=3 1336 B9R1.163 NC1(CCNC1)C(=O)O MCULE-1061035749 [0,0,0,1,0,0|2,0,0]=3 1337 B9R1.163 NC1(CCOC1)C(=O)O MCULE-1020331216 [0,0,0,1,0,0|1,1,0]=3 1338 B9R1.163 NC1(CCOC1)C(=O)O MCULE-3239849151 [0,0,0,1,0,0|1,1,0]=3 1339 B9R1.163 NC1(CCOC1)C(=O)O MCULE-7635316557 [0,0,0,1,0,0|1,1,0]=3 1340 B9R1.163 NC1(CCSC1)C(=O)O MCULE-2866413498 [0,0,0,1,0,0|1,0,0]=2 1341 B9R1.163 NC1(CCSC1)C(=O)O MCULE-3077570702 [0,0,0,1,0,0|1,0,0]=2 1342 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-4940789798 [0,0,0,1,0,0|1,1,0]=3 1343 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-9120207414 [0,0,0,1,0,0|1,1,0]=3 1344 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-3449072625 [0,0,0,1,0,0|1,0,0]=2 1345 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-6533506498 [0,0,0,1,0,0|1,0,0]=2 1346 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-5112163951 [0,0,0,1,0,0|2,0,0]=3 1347 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-7065442028 [0,0,0,1,0,0|2,0,0]=3 1348 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-6757422211 [0,0,0,1,0,0|1,1,0]=3 1349 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-8786481856 [0,0,0,1,0,0|1,1,0]=3 1350 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1832449395 [0,0,0,1,0,0|1,0,0]=2 1351 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1974139646 [0,0,0,1,0,0|1,0,0]=2 1352 B9R1.163 O=C(O)C1(CCCC1)Br MCULE-3131005284 [0,0,0,1,0,0|2,0,0]=3 1353 B9R1.163 O=C(O)C1(CCCC1)F MCULE-4282263280 [0,0,0,1,0,0|2,0,0]=3 1354 B9R1.163 O=C(O)C1(CCCC1)O MCULE-2147028492 [0,0,0,1,0,0|1,0,0]=2 1355 B9R1.163 O=C(O)C1(CCNC1)F MCULE-3943818123 [0,0,0,1,0,0|2,0,0]=3 1356 B9R1.163 O=C(O)C1(CCNC1)F MCULE-9385624346 [0,0,0,1,0,0|2,0,0]=3 1357 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5890399768 [0,0,0,1,0,0|1,0,0]=2 1358 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5910869185 [0,0,0,1,0,0|1,0,0]=2 1359 B9R1.163 O=C(O)C1(CCOC1)F MCULE-5718551369 [0,0,0,1,0,0|1,1,0]=3 1360 B9R1.163 O=C(O)C1(CCOC1)O MCULE-8834969992 [0,0,0,1,0,0|0,1,0]=2 1361 B9R1.163 O=C(O)C1(CCSC1)O MCULE-7477879136 [0,0,0,1,0,0|0,0,0]=1 1362 B9R1.163 O=C(O)[C@@]1(CCNC1)F MCULE-8296048165 [0,0,0,1,0,0|2,0,0]=3 1363 B9R0.4 C=CCCC(N)CC(=O)O MCULE-1616151020 [0,0,0,0,0,1|2,0,1]=4 1364 B9R0.4 C=CCCC(N)CC(=O)O MCULE-6121434138 [0,0,0,0,0,1|2,0,1]=4 1365 B9R0.4 CCCCC(C)CC(=O)O MCULE-1674327007 [0,0,0,0,0,1|2,0,0]=3 1366 B9R0.4 CCCCC(C)OC(=O)Cl MCULE-3267128498 [0,0,0,0,0,1|3,0,0]=4 1367 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [0,0,0,0,0,1|2,0,0]=3 1368 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [0,0,0,0,0,1|2,0,0]=3 1369 B9R0.4 CCCCC(O)CC(=O)O MCULE-6348296633 [0,0,0,0,0,1|1,0,0]=2 1370 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [0,0,0,0,0,1|2,0,0]=3 1371 B9R0.4 CCCC[C@H](C)CC(=O)O MCULE-2048808547 [0,0,0,0,0,1|2,0,0]=3 1372 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [0,0,0,0,0,1|2,0,0]=3 1373 B9R0.4 COCCN(C)CC(=O)O MCULE-2440763888 [0,0,0,0,0,1|2,1,0]=4 1374 B9R0.4 COCCN(C)CC(=O)O MCULE-6319676297 [0,0,0,0,0,1|2,1,0]=4 1375 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [0,0,0,0,0,1|1,0,0]=2 1376 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [0,0,0,0,0,1|1,0,0]=2 1377 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [0,0,0,0,0,1|0,0,0]=1 1378 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [0,0,0,0,0,1|1,0,0]=2 1379 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [0,0,0,0,0,1|1,0,0]=2 1380 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [0,0,0,0,0,1|1,0,0]=2 1381 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [0,0,0,0,0,1|1,0,0]=2 1382 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [0,0,0,0,0,1|1,0,0]=2 1383 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [0,0,0,0,0,1|1,0,0]=2 1384 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [0,0,0,0,0,1|1,0,0]=2 1385 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [0,0,0,0,0,1|1,0,0]=2 1386 B9R0.4 NCCCC(N)CC(=O)O MCULE-3705980324 [0,0,0,0,0,1|3,0,0]=4 1387 B9R0.4 NCCCC(N)CC(=O)O MCULE-5566899547 [0,0,0,0,0,1|3,0,0]=4 1388 B9R0.4 NCCC[C@@H](N)CC(=O)O MCULE-3425525065 [0,0,0,0,0,1|3,0,0]=4 1389 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-2321041121 [0,0,0,0,0,1|3,0,0]=4 1390 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-6552199637 [0,0,0,0,0,1|3,0,0]=4 1391 B6R0.1 C#CC(O)CCC MCULE-6152066005 [2,0,0,0,0,0|1,0,1]=4 1392 B6R0.1 C=CC(C)CCC MCULE-2692803387 [2,0,0,0,0,0|2,0,0]=4 1393 B6R0.1 C=CC(O)CCC MCULE-3664453040 [2,0,0,0,0,0|1,0,0]=3 1394 B6R0.1 C=CC(O)CCN MCULE-9346205308 [2,0,0,0,0,0|2,0,0]=4 1395 B6R0.1 CCC(O)CSC MCULE-3582683720 [2,0,0,0,0,0|1,0,1]=4 1396 B6R0.1 CCCC(C)C=O MCULE-9756444218 [2,0,0,0,0,0|1,0,0]=3 1397 B6R0.1 CCCC(C)CO MCULE-9777250826 [2,0,0,0,0,0|1,0,1]=4 1398 B6R0.1 CCCC(N)CO MCULE-3404967504 [2,0,0,0,0,0|1,0,1]=4 1399 B6R0.1 CCCC(N)CO MCULE-3802448518 [2,0,0,0,0,0|1,0,1]=4 1400 B6R0.1 CCCC(N)CO MCULE-4259078445 [2,0,0,0,0,0|1,0,1]=4 1401 B6R0.1 CCCC(N)CO MCULE-6425025734 [2,0,0,0,0,0|1,0,1]=4 1402 B6R0.1 CCCC(O)C#N MCULE-7017059503 [2,0,0,0,0,0|1,0,1]=4 1403 B6R0.1 CCCC(O)CBr MCULE-5186252424 [2,0,0,0,0,0|1,0,1]=4 1404 B6R0.1 CCCC(O)CC MCULE-9504041935 [2,0,0,0,0,0|1,0,1]=4 1405 B6R0.1 CCCC(O)CCl MCULE-4737360217 [2,0,0,0,0,0|1,0,1]=4 1406 B6R0.1 CCCC(O)CN MCULE-9402934997 [2,0,0,0,0,0|1,0,1]=4 1407 B6R0.1 CCCC(O)CO MCULE-5124107719 [2,0,0,0,0,0|0,0,1]=3 1408 B6R0.1 CCC[C@@H](N)CO MCULE-3684308356 [2,0,0,0,0,0|1,0,1]=4 1409 B6R0.1 CCC[C@@H](N)CO MCULE-4573401915 [2,0,0,0,0,0|1,0,1]=4 1410 B6R0.1 CCC[C@@H](N)CO MCULE-5502830670 [2,0,0,0,0,0|1,0,1]=4 1411 B6R0.1 CCC[C@@H](O)CC MCULE-7377135785 [2,0,0,0,0,0|1,0,1]=4 1412 B6R0.1 CCC[C@H](N)CO MCULE-4293730307 [2,0,0,0,0,0|1,0,1]=4 1413 B6R0.1 CCC[C@H](N)CO MCULE-5185063577 [2,0,0,0,0,0|1,0,1]=4 1414 B6R0.1 CCC[C@H](N)CO MCULE-5836622975 [2,0,0,0,0,0|1,0,1]=4 1415 B6R0.1 CCC[C@H](N)CO MCULE-7340014196 [2,0,0,0,0,0|1,0,1]=4 1416 B6R0.1 CCC[C@H](O)CC MCULE-2229025348 [2,0,0,0,0,0|1,0,1]=4 1417 B6R0.1 CNCC(O)CO MCULE-4566952448 [2,0,0,0,0,0|1,0,1]=4 1418 B6R0.1 CNC[C@H](O)CO MCULE-3410453252 [2,0,0,0,0,0|1,0,1]=4 1419 B6R0.1 COCC(C)C=O MCULE-7679332713 [2,0,0,0,0,0|1,1,0]=4 1420 B6R0.1 COCC(O)CO MCULE-1154104224 [2,0,0,0,0,0|0,1,1]=4 1421 B6R0.1 CSCC(C)CO MCULE-3842820579 [2,0,0,0,0,0|1,0,1]=4 1422 B6R0.1 CSCC(O)CO MCULE-6573013078 [2,0,0,0,0,0|0,0,1]=3 1423 B6R0.1 NCCC(O)CO MCULE-2556586168 [2,0,0,0,0,0|1,0,1]=4 1424 B6R0.1 OCCC(O)CO MCULE-6470178852 [2,0,0,0,0,0|0,1,1]=4 1425 B6R0.1 OCC[C@@H](O)CO MCULE-2312093276 [2,0,0,0,0,0|0,1,1]=4 1426 B6R0.1 OCC[C@@H](O)CO MCULE-4636748782 [2,0,0,0,0,0|0,1,1]=4 1427 B6R0.1 OCC[C@H](O)CO MCULE-2265914374 [2,0,0,0,0,0|0,1,1]=4 1428 B6R0.1 OCC[C@H](O)CO MCULE-5459838421 [2,0,0,0,0,0|0,1,1]=4 1429 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [2,0,0,0,0,0|0,0,2]=4 1430 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [2,0,0,0,0,0|0,0,2]=4 1431 B6R0.4 C=C(C)CCCC MCULE-1010177756 [2,0,0,0,0,0|2,0,0]=4 1432 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [2,0,0,0,0,0|0,0,2]=4 1433 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [2,0,0,0,0,0|0,0,2]=4 1434 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [2,0,0,0,0,0|2,0,0]=4 1435 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [2,0,0,0,0,0|2,0,0]=4 1436 B6R0.4 CC(=O)CCCO MCULE-1335342150 [2,0,0,0,0,0|1,1,0]=4 1437 B6R0.4 CC(=O)NCCS MCULE-3345813615 [2,0,0,0,0,0|2,0,0]=4 1438 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [2,0,0,0,0,0|0,0,2]=4 1439 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [2,0,0,0,0,0|0,0,2]=4 1440 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [2,0,0,0,0,0|0,0,2]=4 1441 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [2,0,0,0,0,0|0,0,2]=4 1442 B6R0.4 CCCCB(O)O MCULE-9002672645 [2,0,0,0,0,0|1,0,1]=4 1443 B6R0.4 CCCCC(=N)N MCULE-3271993509 [2,0,0,0,0,0|2,0,0]=4 1444 B6R0.4 CCCCC(=N)N MCULE-3935017760 [2,0,0,0,0,0|2,0,0]=4 1445 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [2,0,0,0,0,0|1,0,0]=3 1446 B6R0.4 CCCCC(=O)C MCULE-3554390184 [2,0,0,0,0,0|1,0,0]=3 1447 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [2,0,0,0,0,0|1,0,0]=3 1448 B6R0.4 CCCCC(=O)N MCULE-6419483436 [2,0,0,0,0,0|1,0,0]=3 1449 B6R0.4 CCCCC(=O)O MCULE-2333640078 [2,0,0,0,0,0|0,0,0]=2 1450 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [2,0,0,0,0,0|0,0,1]=3 1451 B6R0.4 CCCCC(=S)N MCULE-8236760762 [2,0,0,0,0,0|1,1,0]=4 1452 B6R0.4 CCCCC(C)O MCULE-6558228722 [2,0,0,0,0,0|1,0,1]=4 1453 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [2,0,0,0,0,0|1,0,1]=4 1454 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [2,0,0,0,0,0|1,0,1]=4 1455 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [2,0,0,0,0,0|1,0,1]=4 1456 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [2,0,0,0,0,0|1,0,1]=4 1457 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [2,0,0,0,0,0|1,0,1]=4 1458 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [2,0,0,0,0,0|1,0,1]=4 1459 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [2,0,0,0,0,0|1,0,1]=4 1460 B6R0.4 CCCNC(=O)C MCULE-5899703886 [2,0,0,0,0,0|2,0,0]=4 1461 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [2,0,0,0,0,0|2,0,0]=4 1462 B6R0.4 CCCNC(=O)N MCULE-8528844765 [2,0,0,0,0,0|2,0,0]=4 1463 B6R0.4 CCCOC(=O)C MCULE-7327042566 [2,0,0,0,0,0|2,0,0]=4 1464 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [2,0,0,0,0,0|2,0,0]=4 1465 B6R0.4 CCCOC(=O)N MCULE-2760622567 [2,0,0,0,0,0|2,0,0]=4 1466 B6R0.4 CCCSC(=O)C MCULE-4329646671 [2,0,0,0,0,0|2,0,0]=4 1467 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [2,0,0,0,0,0|2,0,0]=4 1468 B6R0.4 CCNCC(=O)C MCULE-5799315547 [2,0,0,0,0,0|2,0,0]=4 1469 B6R0.4 CCNCC(=O)C MCULE-9258294157 [2,0,0,0,0,0|2,0,0]=4 1470 B6R0.4 CCNCC(=O)N MCULE-1787248899 [2,0,0,0,0,0|2,0,0]=4 1471 B6R0.4 CCNCC(=O)N MCULE-3821700273 [2,0,0,0,0,0|2,0,0]=4 1472 B6R0.4 CCNCC(=O)O MCULE-5989480216 [2,0,0,0,0,0|1,0,0]=3 1473 B6R0.4 CCNCC(=O)O MCULE-8087863397 [2,0,0,0,0,0|1,0,0]=3 1474 B6R0.4 CCOCC(=O)C MCULE-2825677443 [2,0,0,0,0,0|2,0,0]=4 1475 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [2,0,0,0,0,0|2,0,0]=4 1476 B6R0.4 CCOCC(=O)O MCULE-1726530898 [2,0,0,0,0,0|1,0,0]=3 1477 B6R0.4 CCSCC(=O)C MCULE-9872082780 [2,0,0,0,0,0|2,0,0]=4 1478 B6R0.4 CCSCC(=O)O MCULE-7471335718 [2,0,0,0,0,0|1,0,0]=3 1479 B6R0.4 CNCCC(=O)N MCULE-1118876220 [2,0,0,0,0,0|2,0,0]=4 1480 B6R0.4 CNCCC(=O)N MCULE-6679713144 [2,0,0,0,0,0|2,0,0]=4 1481 B6R0.4 CNCCC(=O)O MCULE-3627988097 [2,0,0,0,0,0|1,0,0]=3 1482 B6R0.4 CNCCC(=O)O MCULE-9858204248 [2,0,0,0,0,0|1,0,0]=3 1483 B6R0.4 CNCCC(C)O MCULE-1615526002 [2,0,0,0,0,0|1,0,1]=4 1484 B6R0.4 COCCC(=O)C MCULE-5939812376 [2,0,0,0,0,0|1,1,0]=4 1485 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [2,0,0,0,0,0|1,1,0]=4 1486 B6R0.4 COCCC(=O)N MCULE-7556483675 [2,0,0,0,0,0|1,1,0]=4 1487 B6R0.4 COCCC(=O)O MCULE-3436347115 [2,0,0,0,0,0|0,1,0]=3 1488 B6R0.4 COCCC(C)O MCULE-6536001437 [2,0,0,0,0,0|0,1,1]=4 1489 B6R0.4 CSCCC(=N)N MCULE-3926353306 [2,0,0,0,0,0|2,0,0]=4 1490 B6R0.4 CSCCC(=N)N MCULE-4451485733 [2,0,0,0,0,0|2,0,0]=4 1491 B6R0.4 CSCCC(=O)C MCULE-6178663156 [2,0,0,0,0,0|1,0,0]=3 1492 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [2,0,0,0,0,0|1,0,0]=3 1493 B6R0.4 CSCCC(=O)N MCULE-7105035733 [2,0,0,0,0,0|1,0,0]=3 1494 B6R0.4 CSCCC(=O)O MCULE-9550032941 [2,0,0,0,0,0|0,0,0]=2 1495 B6R0.4 CSCCC(C)N MCULE-3925048385 [2,0,0,0,0,0|1,0,1]=4 1496 B6R0.4 CSCCC(C)O MCULE-5934844952 [2,0,0,0,0,0|0,0,1]=3 1497 B6R0.4 CSCOC(=O)C MCULE-1498769347 [2,0,0,0,0,0|2,0,0]=4 1498 B6R0.4 CSSCC(=O)O MCULE-5829510166 [2,0,0,0,0,0|1,0,0]=3 1499 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [2,0,0,0,0,0|1,0,1]=4 1500 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [2,0,0,0,0,0|2,0,0]=4 1501 B6R0.4 NC(=O)CCCO MCULE-3779341561 [2,0,0,0,0,0|1,1,0]=4 1502 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [2,0,0,0,0,0|2,0,0]=4 1503 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [2,0,0,0,0,0|2,0,0]=4 1504 B6R0.4 NCCCC(=O)N MCULE-8039142092 [2,0,0,0,0,0|2,0,0]=4 1505 B6R0.4 NCCCC(=O)N MCULE-8262250872 [2,0,0,0,0,0|2,0,0]=4 1506 B6R0.4 NCCCC(=O)O MCULE-3615304273 [2,0,0,0,0,0|1,0,0]=3 1507 B6R0.4 NCCCC(=O)O MCULE-7613134021 [2,0,0,0,0,0|1,0,0]=3 1508 B6R0.4 NOCCC(=O)O MCULE-1529492904 [2,0,0,0,0,0|1,1,0]=4 1509 B6R0.4 NOCCC(=O)O MCULE-6297331357 [2,0,0,0,0,0|1,1,0]=4 1510 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [2,0,0,0,0,0|2,0,0]=4 1511 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [2,0,0,0,0,0|2,0,0]=4 1512 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [2,0,0,0,0,0|1,0,0]=3 1513 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [2,0,0,0,0,0|1,0,0]=3 1514 B6R0.4 O=C(O)CCCF MCULE-2415675768 [2,0,0,0,0,0|1,0,0]=3 1515 B6R0.4 O=C(O)CCCI MCULE-7794841553 [2,0,0,0,0,0|1,0,0]=3 1516 B6R0.4 O=C(O)CCCS MCULE-3352840152 [2,0,0,0,0,0|0,0,0]=2 1517 B6R0.4 O=C(O)CNCO MCULE-4092998319 [2,0,0,0,0,0|1,1,0]=4 1518 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [2,0,0,0,0,0|1,0,1]=4 1519 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [2,0,0,0,0,0|0,1,1]=4 1520 B6R0.6 C#CCCCC=O MCULE-4075029417 [2,0,0,0,0,0|1,0,1]=4 1521 B6R0.6 C=CCCCC=O MCULE-8676840281 [2,0,0,0,0,0|1,0,1]=4 1522 B6R0.6 C=CCCCCC MCULE-5868303078 [2,0,0,0,0,0|2,0,0]=4 1523 B6R0.6 C=CCCCNC MCULE-6696525157 [2,0,0,0,0,0|2,0,0]=4 1524 B6R0.6 C=CCCCNC MCULE-7417274044 [2,0,0,0,0,0|2,0,0]=4 1525 B6R0.6 CCCCCC=O MCULE-6770578514 [2,0,0,0,0,0|1,0,0]=3 1526 B6R0.6 CCCCCCO MCULE-4299150163 [2,0,0,0,0,0|1,0,1]=4 1527 B6R0.6 CCCCCSC MCULE-6566108868 [2,0,0,0,0,0|1,0,1]=4 1528 B6R0.6 CCCCNC=O MCULE-8821792924 [2,0,0,0,0,0|2,0,0]=4 1529 B6R0.6 CCCCOC=O MCULE-4633421026 [2,0,0,0,0,0|2,0,0]=4 1530 B6R0.6 CCOCCC=O MCULE-1664130148 [2,0,0,0,0,0|2,0,0]=4 1531 B6R0.6 CCSCCC=O MCULE-2493452950 [2,0,0,0,0,0|2,0,0]=4 1532 B6R0.6 CNCCCCO MCULE-9264393637 [2,0,0,0,0,0|1,0,1]=4 1533 B6R0.6 CNCCCSC MCULE-6553998750 [2,0,0,0,0,0|2,0,0]=4 1534 B6R0.6 COCCCC=O MCULE-2055914202 [2,0,0,0,0,0|0,1,0]=3 1535 B6R0.6 COCCCCO MCULE-2543196930 [2,0,0,0,0,0|0,1,1]=4 1536 B6R0.6 COCCCCO MCULE-8659106280 [2,0,0,0,0,0|0,1,1]=4 1537 B6R0.6 COCCNC=O MCULE-9003279073 [2,0,0,0,0,0|1,1,0]=4 1538 B6R0.6 CSCCCC=O MCULE-6353729217 [2,0,0,0,0,0|0,0,0]=2 1539 B6R0.6 CSCCCCN MCULE-2391033479 [2,0,0,0,0,0|1,0,1]=4 1540 B6R0.6 CSCCCCO MCULE-1045422424 [2,0,0,0,0,0|0,0,1]=3 1541 B6R0.6 CSCCCON MCULE-2543326517 [2,0,0,0,0,0|2,0,0]=4 1542 B6R0.6 CSCCCSC MCULE-6993538101 [2,0,0,0,0,0|2,0,0]=4 1543 B6R0.6 CSCCN=C=O MCULE-4217751051 [2,0,0,0,0,0|1,0,1]=4 1544 B6R0.6 O=CCCCC=O MCULE-6802048757 [2,0,0,0,0,0|2,0,0]=4 1545 B6R0.6 O=CCCCCCl MCULE-1257670284 [2,0,0,0,0,0|2,0,0]=4 1546 B6R0.6 O=CCCCCO MCULE-7959082228 [2,0,0,0,0,0|2,0,0]=4 1547 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [2,0,0,0,0,0|0,0,2]=4 1548 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [2,0,0,0,0,0|1,1,0]=4 1549 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [2,0,0,0,0,0|0,0,2]=4 1550 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [2,0,0,0,0,0|1,0,1]=4 1551 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [2,0,0,0,0,0|0,0,2]=4 1552 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [2,0,0,0,0,0|2,0,0]=4 1553 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [2,0,0,0,0,0|2,0,0]=4 1554 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [2,0,0,0,0,0|2,0,0]=4 1555 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [2,0,0,0,0,0|2,0,0]=4 1556 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [2,0,0,0,0,0|1,1,0]=4 1557 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [2,0,0,0,0,0|1,0,0]=3 1558 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [2,0,0,0,0,0|0,0,2]=4 1559 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [2,0,0,0,0,0|0,0,2]=4 1560 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [2,0,0,0,0,0|2,0,0]=4 1561 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [2,0,0,0,0,0|2,0,0]=4 1562 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [2,0,0,0,0,0|2,0,0]=4 1563 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [2,0,0,0,0,0|2,0,0]=4 1564 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [2,0,0,0,0,0|1,0,0]=3 1565 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [2,0,0,0,0,0|2,0,0]=4 1566 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [2,0,0,0,0,0|2,0,0]=4 1567 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [2,0,0,0,0,0|2,0,0]=4 1568 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [2,0,0,0,0,0|1,0,0]=3 1569 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [2,0,0,0,0,0|1,0,0]=3 1570 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [2,0,0,0,0,0|2,0,0]=4 1571 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [2,0,0,0,0,0|2,0,0]=4 1572 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [2,0,0,0,0,0|1,0,0]=3 1573 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [2,0,0,0,0,0|1,0,0]=3 1574 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [2,0,0,0,0,0|2,0,0]=4 1575 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [2,0,0,0,0,0|2,0,0]=4 1576 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [2,0,0,0,0,0|2,0,0]=4 1577 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [2,0,0,0,0,0|2,0,0]=4 1578 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [2,0,0,0,0,0|1,0,0]=3 1579 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [2,0,0,0,0,0|1,0,0]=3 1580 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [2,0,0,0,0,0|1,0,0]=3 1581 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [2,0,0,0,0,0|1,0,0]=3 1582 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [2,0,0,0,0,0|1,0,0]=3 1583 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [2,0,0,0,0,0|0,0,0]=2 1584 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [2,0,0,0,0,0|0,0,0]=2 1585 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [2,0,0,0,0,0|0,0,1]=3 1586 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [2,0,0,0,0,0|0,0,1]=3 1587 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [2,0,0,0,0,0|1,0,1]=4 1588 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [2,0,0,0,0,0|1,1,0]=4 1589 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [2,0,0,0,0,0|0,1,0]=3 1590 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [2,0,0,0,0,0|2,0,0]=4 1591 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [2,0,0,0,0,0|1,0,0]=3 1592 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [2,0,0,0,0,0|1,0,0]=3 1593 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [2,0,0,0,0,0|2,0,0]=4 1594 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [2,0,0,0,0,0|2,0,0]=4 1595 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [2,0,0,0,0,0|1,0,0]=3 1596 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [2,0,0,0,0,0|1,0,0]=3 1597 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [2,0,0,0,0,0|1,0,0]=3 1598 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [2,0,0,0,0,0|1,0,0]=3 1599 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [2,0,0,0,0,0|2,0,0]=4 1600 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [2,0,0,0,0,0|2,0,0]=4 1601 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [2,0,0,0,0,0|2,0,0]=4 1602 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [2,0,0,0,0,0|2,0,0]=4 1603 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [2,0,0,0,0,0|1,0,0]=3 1604 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [2,0,0,0,0,0|1,0,0]=3 1605 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [2,0,0,0,0,0|1,0,0]=3 1606 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [2,0,0,0,0,0|1,0,0]=3 1607 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [2,0,0,0,0,0|0,0,0]=2 1608 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [2,0,0,0,0,0|0,0,0]=2 1609 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [2,0,0,0,0,0|1,0,0]=3 1610 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [2,0,0,0,0,0|1,0,0]=3 1611 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [2,0,0,0,0,0|1,0,0]=3 1612 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [2,0,0,0,0,0|1,0,0]=3 1613 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [2,0,0,0,0,0|1,0,0]=3 1614 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [2,0,0,0,0,0|2,0,0]=4 1615 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [2,0,0,0,0,0|2,0,0]=4 1616 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [2,0,0,0,0,0|2,0,0]=4 1617 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [2,0,0,0,0,0|2,0,0]=4 1618 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [2,0,0,0,0,0|1,0,0]=3 1619 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [2,0,0,0,0,0|1,0,0]=3 1620 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [2,0,0,0,0,0|1,0,0]=3 1621 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [2,0,0,0,0,0|1,0,0]=3 1622 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [2,0,0,0,0,0|1,1,0]=4 1623 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [2,0,0,0,0,0|1,1,0]=4 1624 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [2,0,0,0,0,0|0,0,0]=2 1625 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [2,0,0,0,0,0|0,0,0]=2 1626 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [2,0,0,0,0,0|0,0,1]=3 1627 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [2,0,0,0,0,0|2,0,0]=4 1628 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [2,0,0,0,0,0|2,0,0]=4 1629 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [2,0,0,0,0,0|2,0,0]=4 1630 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [2,0,0,0,0,0|2,0,0]=4 1631 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [2,0,0,0,0,0|2,0,0]=4 1632 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [2,0,0,0,0,0|2,0,0]=4 1633 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [2,0,0,0,0,0|2,0,0]=4 1634 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [2,0,0,0,0,0|2,0,0]=4 1635 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [2,0,0,0,0,0|2,0,0]=4 1636 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [2,0,0,0,0,0|2,0,0]=4 1637 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [2,0,0,0,0,0|1,1,0]=4 1638 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [2,0,0,0,0,0|1,1,0]=4 1639 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [2,0,0,0,0,0|1,1,0]=4 1640 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [2,0,0,0,0,0|1,1,0]=4 1641 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [2,0,0,0,0,0|1,1,0]=4 1642 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [2,0,0,0,0,0|1,1,0]=4 1643 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [2,0,0,0,0,0|2,0,0]=4 1644 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [2,0,0,0,0,0|1,0,0]=3 1645 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [2,0,0,0,0,0|2,0,0]=4 1646 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [2,0,0,0,0,0|2,0,0]=4 1647 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [2,0,0,0,0,0|2,0,0]=4 1648 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [2,0,0,0,0,0|2,0,0]=4 1649 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [2,0,0,0,0,0|1,1,0]=4 1650 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [2,0,0,0,0,0|1,1,0]=4 1651 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [2,0,0,0,0,0|2,0,0]=4 1652 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [2,0,0,0,0,0|2,0,0]=4 1653 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [2,0,0,0,0,0|2,0,0]=4 1654 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [2,0,0,0,0,0|2,0,0]=4 1655 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [2,0,0,0,0,0|1,1,0]=4 1656 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [2,0,0,0,0,0|1,1,0]=4 1657 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [2,0,0,0,0,0|2,0,0]=4 1658 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [2,0,0,0,0,0|2,0,0]=4 1659 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [2,0,0,0,0,0|2,0,0]=4 1660 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [2,0,0,0,0,0|2,0,0]=4 1661 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [2,0,0,0,0,0|2,0,0]=4 1662 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [2,0,0,0,0,0|2,0,0]=4 1663 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [2,0,0,0,0,0|2,0,0]=4 1664 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [2,0,0,0,0,0|1,1,0]=4 1665 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [2,0,0,0,0,0|1,1,0]=4 1666 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [2,0,0,0,0,0|1,0,0]=3 1667 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [2,0,0,0,0,0|1,0,0]=3 1668 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [2,0,0,0,0,0|1,0,0]=3 1669 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [2,0,0,0,0,0|1,0,0]=3 1670 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [2,0,0,0,0,0|2,0,0]=4 1671 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [2,0,0,0,0,0|2,0,0]=4 1672 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [2,0,0,0,0,0|2,0,0]=4 1673 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [2,0,0,0,0,0|2,0,0]=4 1674 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [2,0,0,0,0,0|2,0,0]=4 1675 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [2,0,0,0,0,0|2,0,0]=4 1676 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [2,0,0,0,0,0|2,0,0]=4 1677 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [2,0,0,0,0,0|2,0,0]=4 1678 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [2,0,0,0,0,0|2,0,0]=4 1679 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [2,0,0,0,0,0|2,0,0]=4 1680 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [2,0,0,0,0,0|2,0,0]=4 1681 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [2,0,0,0,0,0|1,0,0]=3 1682 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [2,0,0,0,0,0|1,0,0]=3 1683 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [2,0,0,0,0,0|2,0,0]=4 1684 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [2,0,0,0,0,0|2,0,0]=4 1685 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [2,0,0,0,0,0|2,0,0]=4 1686 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [2,0,0,0,0,0|2,0,0]=4 1687 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [2,0,0,0,0,0|2,0,0]=4 1688 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [2,0,0,0,0,0|2,0,0]=4 1689 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [2,0,0,0,0,0|2,0,0]=4 1690 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [2,0,0,0,0,0|1,0,0]=3 1691 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [2,0,0,0,0,0|1,0,0]=3 1692 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [2,0,0,0,0,0|2,0,0]=4 1693 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [2,0,0,0,0,0|2,0,0]=4 1694 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [2,0,0,0,0,0|2,0,0]=4 1695 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [2,0,0,0,0,0|2,0,0]=4 1696 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [2,0,0,0,0,0|2,0,0]=4 1697 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [2,0,0,0,0,0|2,0,0]=4 1698 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [2,0,0,0,0,0|2,0,0]=4 1699 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [2,0,0,0,0,0|2,0,0]=4 1700 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [2,0,0,0,0,0|2,0,0]=4 1701 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [2,0,0,0,0,0|2,0,0]=4 1702 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [2,0,0,0,0,0|1,0,0]=3 1703 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [2,0,0,0,0,0|1,0,0]=3 1704 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [2,0,0,0,0,0|2,0,0]=4 1705 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [2,0,0,0,0,0|2,0,0]=4 1706 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [2,0,0,0,0,0|2,0,0]=4 1707 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [2,0,0,0,0,0|2,0,0]=4 1708 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [2,0,0,0,0,0|1,1,0]=4 1709 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [2,0,0,0,0,0|1,1,0]=4 1710 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [2,0,0,0,0,0|1,1,0]=4 1711 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [2,0,0,0,0,0|1,1,0]=4 1712 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [2,0,0,0,0,0|1,0,0]=3 1713 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [2,0,0,0,0,0|1,0,0]=3 1714 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [2,0,0,0,0,0|1,0,0]=3 1715 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [2,0,0,0,0,0|1,0,0]=3 1716 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [2,0,0,0,0,0|2,0,0]=4 1717 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [2,0,0,0,0,0|2,0,0]=4 1718 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [2,0,0,0,0,0|2,0,0]=4 1719 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [2,0,0,0,0,0|2,0,0]=4 1720 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [2,0,0,0,0,0|2,0,0]=4 1721 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [2,0,0,0,0,0|2,0,0]=4 1722 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [2,0,0,0,0,0|1,1,0]=4 1723 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [2,0,0,0,0,0|1,1,0]=4 1724 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [2,0,0,0,0,0|1,0,0]=3 1725 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [2,0,0,0,0,0|1,0,0]=3 1726 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [2,0,0,0,0,0|1,0,0]=3 1727 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [2,0,0,0,0,0|1,0,0]=3 1728 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [2,0,0,0,0,0|0,0,2]=4 1729 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [2,0,0,0,0,0|2,0,0]=4 1730 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [2,0,0,0,0,0|2,0,0]=4 1731 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [2,0,0,0,0,0|1,1,0]=4 1732 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [2,0,0,0,0,0|2,0,0]=4 1733 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [2,0,0,0,0,0|1,1,0]=4 1734 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [2,0,0,0,0,0|2,0,0]=4 1735 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [2,0,0,0,0,0|1,0,0]=3 1736 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [2,0,0,0,0,0|1,0,0]=3 1737 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [2,0,0,0,0,0|0,1,0]=3 1738 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [2,0,0,0,0,0|1,1,0]=4 1739 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [2,0,0,0,0,0|1,1,0]=4 1740 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [2,0,0,0,0,0|1,0,0]=3 1741 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [2,0,0,0,0,0|0,1,0]=3 1742 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [2,0,0,0,0,0|0,1,0]=3 1743 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [2,0,0,0,0,0|1,1,0]=4 1744 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [2,0,0,0,0,0|1,1,0]=4 1745 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [2,0,0,0,0,0|1,0,0]=3 1746 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [2,0,0,0,0,0|0,1,1]=4 1747 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [2,0,0,0,0,0|2,0,0]=4 1748 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [2,0,0,0,0,0|2,0,0]=4 1749 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [2,0,0,0,0,0|0,1,0]=3 1750 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [2,0,0,0,0,0|1,1,0]=4 1751 B8R0.1 C=CCC(O)CCCC MCULE-4055894447 [1,1,0,0,0,0|2,0,0]=4 1752 B8R0.1 CCCCC(O)CCO MCULE-1527111701 [1,1,0,0,0,0|1,0,1]=4 1753 B8R0.6 C=CC(O)CCCCC MCULE-3974016765 [1,1,0,0,0,0|2,0,0]=4 1754 B8R0.6 CCCCCC(O)CO MCULE-4124719814 [1,1,0,0,0,0|1,0,1]=4 1755 B8R0.6 CCCNCC(O)CO MCULE-1611893086 [1,1,0,0,0,0|1,0,1]=4 1756 B8R0.6 CCCOCC(O)CO MCULE-8815613620 [1,1,0,0,0,0|1,0,1]=4 1757 B8R0.6 CCCOC[C@H](O)CO MCULE-7750792134 [1,1,0,0,0,0|1,0,1]=4 1758 B8R0.6 OCCCCC(O)CO MCULE-5891501842 [1,1,0,0,0,0|1,0,1]=4 1759 B8R0.11 CCCCC(C=O)CC MCULE-1141216024 [1,1,0,0,0,0|2,0,0]=4 1760 B8R0.11 CCCCC(CO)CO MCULE-4148067977 [1,1,0,0,0,0|1,0,1]=4 1761 B8R0.11 COC(C#N)CCSC MCULE-9976329021 [1,1,0,0,0,0|1,0,1]=4 1762 B8R0.11 COC(CCSC)OC MCULE-3069805433 [1,1,0,0,0,0|2,0,0]=4 1763 B8R0.11 COC(CN)CCSC MCULE-1834354805 [1,1,0,0,0,0|1,0,1]=4 1764 B8R0.25 CCCCC(C)(C)C=O MCULE-2890084431 [1,1,0,0,0,0|2,0,0]=4 1765 B8R0.25 CSCCC(C)(O)CN MCULE-4478297926 [1,1,0,0,0,0|1,0,1]=4 1766 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [1,1,0,0,0,0|1,0,1]=4 1767 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [1,1,0,0,0,0|1,0,1]=4 1768 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [1,1,0,0,0,0|1,0,1]=4 1769 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [1,1,0,0,0,0|1,0,1]=4 1770 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [1,1,0,0,0,0|1,0,1]=4 1771 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [1,1,0,0,0,0|1,0,1]=4 1772 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [1,1,0,0,0,0|1,0,1]=4 1773 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [1,1,0,0,0,0|1,0,1]=4 1774 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [1,1,0,0,0,0|1,0,1]=4 1775 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [1,1,0,0,0,0|1,0,1]=4 1776 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [1,1,0,0,0,0|1,0,1]=4 1777 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [1,1,0,0,0,0|1,0,1]=4 1778 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [1,1,0,0,0,0|1,0,1]=4 1779 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [1,1,0,0,0,0|1,0,1]=4 1780 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [1,1,0,0,0,0|1,0,1]=4 1781 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [1,1,0,0,0,0|1,0,1]=4 1782 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [1,1,0,0,0,0|1,0,1]=4 1783 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [1,1,0,0,0,0|1,0,1]=4 1784 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [1,1,0,0,0,0|1,0,1]=4 1785 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [1,1,0,0,0,0|1,0,1]=4 1786 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [1,1,0,0,0,0|1,0,1]=4 1787 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [1,1,0,0,0,0|1,0,1]=4 1788 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [1,1,0,0,0,0|1,0,1]=4 1789 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [1,1,0,0,0,0|1,0,1]=4 1790 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [1,1,0,0,0,0|1,0,1]=4 1791 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [1,1,0,0,0,0|1,0,1]=4 1792 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [1,1,0,0,0,0|2,0,0]=4 1793 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [1,1,0,0,0,0|1,0,0]=3 1794 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [1,1,0,0,0,0|1,0,0]=3 1795 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [1,1,0,0,0,0|1,0,0]=3 1796 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [1,1,0,0,0,0|1,0,0]=3 1797 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [1,1,0,0,0,0|1,0,0]=3 1798 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [1,1,0,0,0,0|1,0,0]=3 1799 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [1,1,0,0,0,0|2,0,0]=4 1800 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [1,1,0,0,0,0|2,0,0]=4 1801 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [1,1,0,0,0,0|2,0,0]=4 1802 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [1,1,0,0,0,0|1,0,0]=3 1803 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [1,1,0,0,0,0|1,0,0]=3 1804 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [1,1,0,0,0,0|1,0,0]=3 1805 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [1,1,0,0,0,0|1,0,0]=3 1806 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [1,1,0,0,0,0|1,0,0]=3 1807 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [1,1,0,0,0,0|2,0,0]=4 1808 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [1,1,0,0,0,0|2,0,0]=4 1809 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [1,1,0,0,0,0|2,0,0]=4 1810 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [1,1,0,0,0,0|1,0,0]=3 1811 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [1,1,0,0,0,0|1,0,0]=3 1812 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [1,1,0,0,0,0|0,1,0]=3 1813 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [1,1,0,0,0,0|2,0,0]=4 1814 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [1,1,0,0,0,0|2,0,0]=4 1815 B8R0.7 C#CCCCCC(=O)O MCULE-5828767633 [1,1,0,0,0,0|1,0,1]=4 1816 B8R0.7 C#CCCOCC(=O)O MCULE-5200842540 [1,1,0,0,0,0|1,0,1]=4 1817 B8R0.7 C#CCOCCC(=O)O MCULE-9710662304 [1,1,0,0,0,0|1,0,1]=4 1818 B8R0.7 C=CCCCCC(=O)O MCULE-1991116122 [1,1,0,0,0,0|1,0,1]=4 1819 B8R0.7 C=CCCNCC(=O)O MCULE-7775351645 [1,1,0,0,0,0|1,0,1]=4 1820 B8R0.7 C=CCCOCC(=O)O MCULE-8626594933 [1,1,0,0,0,0|1,0,1]=4 1821 B8R0.7 C=CCOCCC(=O)O MCULE-6102747899 [1,1,0,0,0,0|1,0,1]=4 1822 B8R0.7 CC#CCCCC(=O)C MCULE-4297141774 [1,1,0,0,0,0|2,0,0]=4 1823 B8R0.7 CC#CCCCC(=O)O MCULE-2531382210 [1,1,0,0,0,0|1,0,0]=3 1824 B8R0.7 CC(=O)CCCCCBr MCULE-8946921118 [1,1,0,0,0,0|2,0,0]=4 1825 B8R0.7 CC(=O)CCCCCN MCULE-3568024595 [1,1,0,0,0,0|2,0,0]=4 1826 B8R0.7 CC(=O)CCCCCN MCULE-9938894581 [1,1,0,0,0,0|2,0,0]=4 1827 B8R0.7 CC=CCCCC(=O)C MCULE-7957571875 [1,1,0,0,0,0|2,0,0]=4 1828 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [1,1,0,0,0,0|1,0,0]=3 1829 B8R0.7 CCCC/C=C/C(=O)O MCULE-6916224344 [1,1,0,0,0,0|1,0,1]=4 1830 B8R0.7 CCCC=CCC(=O)O MCULE-3879649411 [1,1,0,0,0,0|1,0,1]=4 1831 B8R0.7 CCCCC#CC(=O)O MCULE-4160128187 [1,1,0,0,0,0|1,0,1]=4 1832 B8R0.7 CCCCC=CC(=O)O MCULE-6837768730 [1,1,0,0,0,0|1,0,1]=4 1833 B8R0.7 CCCCCCC(=O)C MCULE-1152821440 [1,1,0,0,0,0|2,0,0]=4 1834 B8R0.7 CCCCCCC(=O)Cl MCULE-8559884798 [1,1,0,0,0,0|2,0,0]=4 1835 B8R0.7 CCCCCCC(=O)N MCULE-1210996881 [1,1,0,0,0,0|2,0,0]=4 1836 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [1,1,0,0,0,0|1,0,0]=3 1837 B8R0.7 CCCCCCC(=O)[O-] MCULE-1711655800 [1,1,0,0,0,0|1,0,1]=4 1838 B8R0.7 CCCCCNC(=O)N MCULE-3139270247 [1,1,0,0,0,0|2,0,0]=4 1839 B8R0.7 CCCCCOC(=O)C MCULE-4911325533 [1,1,0,0,0,0|2,0,0]=4 1840 B8R0.7 CCCCCOC(=O)Cl MCULE-2896207255 [1,1,0,0,0,0|2,0,0]=4 1841 B8R0.7 CCCCNCC(=O)N MCULE-1276341431 [1,1,0,0,0,0|2,0,0]=4 1842 B8R0.7 CCCCNCC(=O)N MCULE-6579402071 [1,1,0,0,0,0|2,0,0]=4 1843 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [1,1,0,0,0,0|1,0,0]=3 1844 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [1,1,0,0,0,0|1,0,0]=3 1845 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [1,1,0,0,0,0|1,0,0]=3 1846 B8R0.7 CCCNCCC(=O)N MCULE-2654608736 [1,1,0,0,0,0|2,0,0]=4 1847 B8R0.7 CCCNCCC(=O)N MCULE-2683588523 [1,1,0,0,0,0|2,0,0]=4 1848 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [1,1,0,0,0,0|1,0,0]=3 1849 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [1,1,0,0,0,0|1,0,0]=3 1850 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [1,1,0,0,0,0|1,0,0]=3 1851 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [1,1,0,0,0,0|1,0,0]=3 1852 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [1,1,0,0,0,0|1,0,0]=3 1853 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [1,1,0,0,0,0|1,0,0]=3 1854 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [1,1,0,0,0,0|0,1,0]=3 1855 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [1,1,0,0,0,0|1,0,0]=3 1856 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [1,1,0,0,0,0|1,0,0]=3 1857 B8R0.7 CNCCCNC(=O)C MCULE-2682619502 [1,1,0,0,0,0|2,0,0]=4 1858 B8R0.7 CNCCCNC(=O)C MCULE-3477977807 [1,1,0,0,0,0|2,0,0]=4 1859 B8R0.7 CNCCOCC(=O)O MCULE-5408672373 [1,1,0,0,0,0|1,0,0]=3 1860 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [1,1,0,0,0,0|0,1,0]=3 1861 B8R0.7 COCCCNC(=O)C MCULE-4149128250 [1,1,0,0,0,0|1,1,0]=4 1862 B8R0.7 COCCCNC(=O)N MCULE-4038737956 [1,1,0,0,0,0|1,1,0]=4 1863 B8R0.7 COCCNCC(=O)N MCULE-2300508230 [1,1,0,0,0,0|1,1,0]=4 1864 B8R0.7 COCCNCC(=O)N MCULE-7059174365 [1,1,0,0,0,0|1,1,0]=4 1865 B8R0.7 COCCNCC(=O)O MCULE-2703110743 [1,1,0,0,0,0|0,1,0]=3 1866 B8R0.7 COCCNCC(=O)O MCULE-5854004501 [1,1,0,0,0,0|0,1,0]=3 1867 B8R0.7 COCCOCC(=O)C MCULE-5956367525 [1,1,0,0,0,0|1,1,0]=4 1868 B8R0.7 COCCOCC(=O)Cl MCULE-9321414156 [1,1,0,0,0,0|1,1,0]=4 1869 B8R0.7 COCCOCC(=O)N MCULE-8987780803 [1,1,0,0,0,0|1,1,0]=4 1870 B8R0.7 COCCOCC(=O)O MCULE-2561278418 [1,1,0,0,0,0|0,1,0]=3 1871 B8R0.7 COCCSCC(=O)O MCULE-2908610834 [1,1,0,0,0,0|0,1,0]=3 1872 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [1,1,0,0,0,0|0,0,0]=2 1873 B8R0.7 CSCCCOC(=O)C MCULE-4403232519 [1,1,0,0,0,0|1,0,0]=3 1874 B8R0.7 CSCCNCC(=O)O MCULE-1747724833 [1,1,0,0,0,0|0,0,0]=2 1875 B8R0.7 CSCCNCC(=O)O MCULE-9991325079 [1,1,0,0,0,0|0,0,0]=2 1876 B8R0.7 CSCCOCC(=O)O MCULE-2038020159 [1,1,0,0,0,0|0,0,0]=2 1877 B8R0.7 CSSCCCC(=O)O MCULE-7947744639 [1,1,0,0,0,0|0,0,0]=2 1878 B8R0.7 N#CCCCCC(=O)O MCULE-1900756226 [1,1,0,0,0,0|1,0,1]=4 1879 B8R0.7 N#CCCNCC(=O)O MCULE-9226456604 [1,1,0,0,0,0|2,0,0]=4 1880 B8R0.7 N#N=NCCCC(=O)O MCULE-1397586704 [1,1,0,0,0,0|2,0,0]=4 1881 B8R0.7 NC(=O)CCCCCBr MCULE-6938202710 [1,1,0,0,0,0|2,0,0]=4 1882 B8R0.7 NC(=O)CCCCCO MCULE-2654184294 [1,1,0,0,0,0|2,0,0]=4 1883 B8R0.7 NCCCCCC(=O)N MCULE-1692086577 [1,1,0,0,0,0|2,0,0]=4 1884 B8R0.7 NCCCCCC(=O)N MCULE-2191237198 [1,1,0,0,0,0|2,0,0]=4 1885 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [1,1,0,0,0,0|1,0,0]=3 1886 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [1,1,0,0,0,0|1,0,0]=3 1887 B8R0.7 NCCCCCC(=O)[O-] MCULE-7336458907 [1,1,0,0,0,0|1,0,1]=4 1888 B8R0.7 NCCCNCC(=O)O MCULE-6526080048 [1,1,0,0,0,0|2,0,0]=4 1889 B8R0.7 NCCCNCC(=O)O MCULE-6762903438 [1,1,0,0,0,0|2,0,0]=4 1890 B8R0.7 NCCCOCC(=O)O MCULE-6428539436 [1,1,0,0,0,0|2,0,0]=4 1891 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [1,1,0,0,0,0|2,0,0]=4 1892 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [1,1,0,0,0,0|2,0,0]=4 1893 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [1,1,0,0,0,0|2,0,0]=4 1894 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [1,1,0,0,0,0|2,0,0]=4 1895 B8R0.7 NOCCCCC(=O)O MCULE-2022616022 [1,1,0,0,0,0|1,1,0]=4 1896 B8R0.7 NOCCCCC(=O)O MCULE-9375312454 [1,1,0,0,0,0|1,1,0]=4 1897 B8R0.7 O=C(Cl)CCCCCBr MCULE-4314610726 [1,1,0,0,0,0|2,0,0]=4 1898 B8R0.7 O=C(Cl)CCCCCCl MCULE-4526081631 [1,1,0,0,0,0|2,0,0]=4 1899 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [1,1,0,0,0,0|1,0,0]=3 1900 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [1,1,0,0,0,0|1,0,0]=3 1901 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [1,1,0,0,0,0|1,0,0]=3 1902 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [1,1,0,0,0,0|1,0,0]=3 1903 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [1,1,0,0,0,0|1,0,0]=3 1904 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [1,1,0,0,0,0|2,0,0]=4 1905 B8R0.7 O=C(O)CCOCCBr MCULE-8991363781 [1,1,0,0,0,0|2,0,0]=4 1906 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [1,1,0,0,0,0|2,0,0]=4 1907 B8R0.7 O=C(O)CCOCCS MCULE-2136117046 [1,1,0,0,0,0|2,0,0]=4 1908 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [1,1,0,0,0,0|2,0,0]=4 1909 B8R0.7 O=C(O)COCCCBr MCULE-2393807719 [1,1,0,0,0,0|2,0,0]=4 1910 B8R0.7 O=C([O-])CCCCCCl MCULE-7341419838 [1,1,0,0,0,0|1,0,1]=4 1911 B8R0.7 O=C([O-])CCCCCO MCULE-5897469112 [1,1,0,0,0,0|1,0,1]=4 1912 B8R0.7 O=C([O-])CCCCCO MCULE-9397608140 [1,1,0,0,0,0|1,0,1]=4 1913 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [1,1,0,0,0,0|1,0,1]=4 1914 B8R0.7 O=CNCCCC(=O)O MCULE-9120755173 [1,1,0,0,0,0|1,0,1]=4 1915 B8R0.21 CCCCCS(=O)(=O)O MCULE-3941343492 [1,1,0,0,0,0|2,0,0]=4 1916 B8R0.21 COCCCS(=O)(=O)O MCULE-2207949915 [1,1,0,0,0,0|1,1,0]=4 1917 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [1,1,0,0,0,0|1,0,1]=4 1918 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [1,1,0,0,0,0|1,0,0]=3 1919 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [1,1,0,0,0,0|1,0,1]=4 1920 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [1,1,0,0,0,0|1,0,1]=4 1921 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [1,1,0,0,0,0|2,0,0]=4 1922 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [1,1,0,0,0,0|2,0,0]=4 1923 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [1,1,0,0,0,0|1,0,0]=3 1924 B8R0.28 CC(=O)CCCC(C)C MCULE-7256575819 [1,1,0,0,0,0|2,0,0]=4 1925 B8R0.28 CC(=O)CCCN(C)C MCULE-8876627134 [1,1,0,0,0,0|2,0,0]=4 1926 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [1,1,0,0,0,0|2,0,0]=4 1927 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [1,1,0,0,0,0|2,0,0]=4 1928 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [1,1,0,0,0,0|2,0,0]=4 1929 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [1,1,0,0,0,0|1,0,0]=3 1930 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [1,1,0,0,0,0|2,0,0]=4 1931 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [1,1,0,0,0,0|2,0,0]=4 1932 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [1,1,0,0,0,0|2,0,0]=4 1933 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [1,1,0,0,0,0|2,0,0]=4 1934 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [1,1,0,0,0,0|2,0,0]=4 1935 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [1,1,0,0,0,0|2,0,0]=4 1936 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [1,1,0,0,0,0|2,0,0]=4 1937 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [1,1,0,0,0,0|2,0,0]=4 1938 B8R0.28 CC(Cl)CCCC(=O)Cl MCULE-6993455396 [1,1,0,0,0,0|2,0,0]=4 1939 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [1,1,0,0,0,0|1,0,0]=3 1940 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [1,1,0,0,0,0|1,0,1]=4 1941 B8R0.28 CN(C)CCCC(=O)Cl MCULE-4211417336 [1,1,0,0,0,0|2,0,0]=4 1942 B8R0.28 CN(C)CCCC(=O)Cl MCULE-6854328742 [1,1,0,0,0,0|2,0,0]=4 1943 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [1,1,0,0,0,0|1,0,0]=3 1944 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [1,1,0,0,0,0|1,0,0]=3 1945 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [1,1,0,0,0,0|2,0,0]=4 1946 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [1,1,0,0,0,0|2,0,0]=4 1947 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [1,1,0,0,0,0|2,0,0]=4 1948 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [1,1,0,0,0,0|2,0,0]=4 1949 B8R0.2 CC(=O)C(O)C(O)CO MCULE-1853649042 [1,1,0,0,0,0|1,1,0]=4 1950 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO MCULE-9565941206 [1,1,0,0,0,0|1,1,0]=4 1951 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [1,1,0,0,0,0|1,0,1]=4 1952 B8R0.2 CCC(C)C(=O)C(=O)O MCULE-2376245949 [1,1,0,0,0,0|0,0,2]=4 1953 B8R0.2 CCC(C)C(Br)C(=O)O MCULE-1124609284 [1,1,0,0,0,0|1,0,0]=3 1954 B8R0.2 CCC(C)C(C)C(=O)C MCULE-4030096724 [1,1,0,0,0,0|2,0,0]=4 1955 B8R0.2 CCC(C)C(C)C(=O)O MCULE-9360443230 [1,1,0,0,0,0|1,0,0]=3 1956 B8R0.2 CCC(C)C(N)C(=O)N MCULE-7314175276 [1,1,0,0,0,0|2,0,0]=4 1957 B8R0.2 CCC(C)C(N)C(=O)N MCULE-8895055670 [1,1,0,0,0,0|2,0,0]=4 1958 B8R0.2 CCC(C)C(N)C(=O)O MCULE-9861955295 [1,1,0,0,0,0|1,0,0]=3 1959 B8R0.2 CCC(C)C(O)C(=O)N MCULE-2649023234 [1,1,0,0,0,0|1,0,0]=3 1960 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [1,1,0,0,0,0|0,0,0]=2 1961 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [1,1,0,0,0,0|1,0,0]=3 1962 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [1,1,0,0,0,0|1,0,0]=3 1963 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [1,1,0,0,0,0|1,0,0]=3 1964 B8R0.2 CCN(C)C(C)C(=O)O MCULE-6064336068 [1,1,0,0,0,0|2,0,0]=4 1965 B8R0.2 CCN(C)[C@@H](C)C(=O)O MCULE-9158211664 [1,1,0,0,0,0|2,0,0]=4 1966 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-1413119398 [1,1,0,0,0,0|1,0,0]=3 1967 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-5186925599 [1,1,0,0,0,0|1,0,0]=3 1968 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O MCULE-5041492133 [1,1,0,0,0,0|1,0,0]=3 1969 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-2706440971 [1,1,0,0,0,0|1,0,0]=3 1970 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-8101207882 [1,1,0,0,0,0|1,0,0]=3 1971 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [1,1,0,0,0,0|1,0,0]=3 1972 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [1,1,0,0,0,0|1,0,0]=3 1973 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [1,1,0,0,0,0|1,0,0]=3 1974 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [1,1,0,0,0,0|1,0,0]=3 1975 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1200159118 [1,1,0,0,0,0|1,0,0]=3 1976 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1359318144 [1,1,0,0,0,0|1,0,0]=3 1977 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-9629903099 [1,1,0,0,0,0|1,0,0]=3 1978 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [1,1,0,0,0,0|0,0,0]=2 1979 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-1760352503 [1,1,0,0,0,0|1,0,0]=3 1980 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-2341573677 [1,1,0,0,0,0|1,0,0]=3 1981 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-3415036603 [1,1,0,0,0,0|2,0,0]=4 1982 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-9677139342 [1,1,0,0,0,0|2,0,0]=4 1983 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-2215911951 [1,1,0,0,0,0|1,0,0]=3 1984 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-3217669453 [1,1,0,0,0,0|1,0,0]=3 1985 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [1,1,0,0,0,0|0,0,0]=2 1986 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [1,1,0,0,0,0|0,0,0]=2 1987 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [1,1,0,0,0,0|0,0,0]=2 1988 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [1,1,0,0,0,0|1,0,0]=3 1989 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [1,1,0,0,0,0|1,0,0]=3 1990 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [1,1,0,0,0,0|1,0,0]=3 1991 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [1,1,0,0,0,0|1,0,0]=3 1992 B8R0.2 COC(C)C(Br)C(=O)O MCULE-2500266383 [1,1,0,0,0,0|1,1,0]=4 1993 B8R0.2 COC(C)C(O)C(=O)O MCULE-2673265957 [1,1,0,0,0,0|0,1,0]=3 1994 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-2479965444 [1,1,0,0,0,0|1,1,0]=4 1995 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-3288712191 [1,1,0,0,0,0|1,1,0]=4 1996 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-6827226453 [1,1,0,0,0,0|1,1,0]=4 1997 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-6762158780 [1,1,0,0,0,0|1,1,0]=4 1998 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-9087542117 [1,1,0,0,0,0|1,1,0]=4 1999 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6235935164 [1,1,0,0,0,0|1,1,0]=4 2000 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6758536252 [1,1,0,0,0,0|1,1,0]=4 2001 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-7334607468 [1,1,0,0,0,0|1,1,0]=4 2002 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-8564530384 [1,1,0,0,0,0|1,1,0]=4 2003 B8R0.2 CSC(C)C(N)C(=O)O MCULE-6226096646 [1,1,0,0,0,0|1,0,0]=3 2004 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [1,1,0,0,0,0|0,1,0]=3 2005 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [1,1,0,0,0,0|0,1,0]=3 2006 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [1,1,0,0,0,0|0,1,0]=3 2007 B8R0.2 O=C([O-])C(O)C(O)CO MCULE-4453733473 [1,1,0,0,0,0|0,1,1]=4 2008 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1044422592 [1,1,0,0,0,0|0,1,1]=4 2009 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1805281668 [1,1,0,0,0,0|0,1,1]=4 2010 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1416545198 [1,1,0,0,0,0|2,0,0]=4 2011 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1950370478 [1,1,0,0,0,0|2,0,0]=4 2012 B8R0.12 CC(C)(CCN)C(=O)O MCULE-2948071531 [1,1,0,0,0,0|2,0,0]=4 2013 B8R0.12 CC(C)(CCN)C(=O)O MCULE-9113980340 [1,1,0,0,0,0|2,0,0]=4 2014 B8R0.12 CC(C)(CCO)C(=O)O MCULE-1566648548 [1,1,0,0,0,0|1,1,0]=4 2015 B8R0.12 CC(N)(CCF)C(=O)O MCULE-5797177130 [1,1,0,0,0,0|2,0,0]=4 2016 B8R0.12 CC(N)(CCF)C(=O)O MCULE-9911119608 [1,1,0,0,0,0|2,0,0]=4 2017 B8R0.12 CCCC(C)(C)C(=O)C MCULE-3472590451 [1,1,0,0,0,0|2,0,0]=4 2018 B8R0.12 CCCC(C)(C)C(=O)Cl MCULE-1035499713 [1,1,0,0,0,0|2,0,0]=4 2019 B8R0.12 CCCC(C)(C)C(=O)O MCULE-7950118630 [1,1,0,0,0,0|1,0,0]=3 2020 B8R0.12 CCCC(C)(N)C(=O)O MCULE-3079931045 [1,1,0,0,0,0|1,0,0]=3 2021 B8R0.12 CCCC(C)(O)C(=O)N MCULE-5398805490 [1,1,0,0,0,0|1,0,0]=3 2022 B8R0.12 CCCC(C)(O)C(=O)O MCULE-5292180056 [1,1,0,0,0,0|0,0,0]=2 2023 B8R0.12 CCCC(F)(F)C(=O)O MCULE-9926038462 [1,1,0,0,0,0|1,0,0]=3 2024 B8R0.12 CCC[C@](C)(N)C(=O)O MCULE-8569302783 [1,1,0,0,0,0|1,0,0]=3 2025 B8R0.12 CCNC(C)(C)C(=O)O MCULE-5196592202 [1,1,0,0,0,0|2,0,0]=4 2026 B8R0.12 CCNC(C)(C)C(=O)O MCULE-7185239447 [1,1,0,0,0,0|2,0,0]=4 2027 B8R0.12 CCOC(C)(C)C(=O)O MCULE-7344066576 [1,1,0,0,0,0|2,0,0]=4 2028 B8R0.12 CCOP(=O)(O)C(=O)O MCULE-8851144535 [1,1,0,0,0,0|2,0,0]=4 2029 B8R0.12 CNCC(C)(C)C(=O)O MCULE-1701621773 [1,1,0,0,0,0|2,0,0]=4 2030 B8R0.12 CNCC(C)(C)C(=O)O MCULE-7669976515 [1,1,0,0,0,0|2,0,0]=4 2031 B8R0.12 CNCC(F)(F)C(=O)O MCULE-3707622806 [1,1,0,0,0,0|2,0,0]=4 2032 B8R0.12 CNCC(F)(F)C(=O)O MCULE-4421374171 [1,1,0,0,0,0|2,0,0]=4 2033 B8R0.12 COCC(C)(C)C(=O)O MCULE-9074673500 [1,1,0,0,0,0|1,1,0]=4 2034 B8R0.12 COCC(C)(O)C(=O)O MCULE-7674892239 [1,1,0,0,0,0|0,1,0]=3 2035 B8R0.12 COCC(F)(F)C(=O)O MCULE-6981513055 [1,1,0,0,0,0|1,1,0]=4 2036 B8R0.12 CSCC(C)(C)C(=O)O MCULE-8010872211 [1,1,0,0,0,0|1,0,0]=3 2037 B8R0.12 NCCC(F)(F)C(=O)O MCULE-3814517866 [1,1,0,0,0,0|2,0,0]=4 2038 B8R0.15 C#CC(OCC)C(=O)O MCULE-4920328481 [1,1,0,0,0,0|2,0,0]=4 2039 B8R0.15 CCC(CCN)C(=O)O MCULE-3540595708 [1,1,0,0,0,0|2,0,0]=4 2040 B8R0.15 CCC(CCN)C(=O)O MCULE-6369668711 [1,1,0,0,0,0|2,0,0]=4 2041 B8R0.15 CCCC(=NO)C(=O)N MCULE-4974052536 [1,1,0,0,0,0|1,0,1]=4 2042 B8R0.15 CCCC(C#N)C(=O)O MCULE-8231205596 [1,1,0,0,0,0|1,0,0]=3 2043 B8R0.15 CCCC(CC)C(=O)C MCULE-3483794250 [1,1,0,0,0,0|2,0,0]=4 2044 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [1,1,0,0,0,0|1,0,0]=3 2045 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [1,1,0,0,0,0|0,0,0]=2 2046 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [1,1,0,0,0,0|1,0,0]=3 2047 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [1,1,0,0,0,0|1,0,0]=3 2048 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [1,1,0,0,0,0|1,0,0]=3 2049 B8R0.15 CCCC(NO)C(=O)O MCULE-7484331195 [1,1,0,0,0,0|0,0,0]=2 2050 B8R0.15 CCCC(OC)C(=O)O MCULE-6875744280 [1,1,0,0,0,0|0,0,0]=2 2051 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [1,1,0,0,0,0|1,0,0]=3 2052 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [1,1,0,0,0,0|1,0,0]=3 2053 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [1,1,0,0,0,0|0,0,0]=2 2054 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [1,1,0,0,0,0|0,0,0]=2 2055 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [1,1,0,0,0,0|1,0,0]=3 2056 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [1,1,0,0,0,0|1,0,0]=3 2057 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [1,1,0,0,0,0|1,0,0]=3 2058 B8R0.15 CCC[C@H](NO)C(=O)O MCULE-7455558431 [1,1,0,0,0,0|0,0,0]=2 2059 B8R0.15 CCOC(CBr)C(=O)O MCULE-5345866284 [1,1,0,0,0,0|2,0,0]=4 2060 B8R0.15 CCOC(CC)C(=O)O MCULE-1674742787 [1,1,0,0,0,0|2,0,0]=4 2061 B8R0.15 CNC(CCN)C(=O)O MCULE-6687313255 [1,1,0,0,0,0|2,0,0]=4 2062 B8R0.15 CNC(COC)C(=O)O MCULE-4091913769 [1,1,0,0,0,0|1,1,0]=4 2063 B8R0.15 CNC(COC)C(=O)O MCULE-6745647660 [1,1,0,0,0,0|1,1,0]=4 2064 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-4209872941 [1,1,0,0,0,0|1,1,0]=4 2065 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-7202916887 [1,1,0,0,0,0|1,1,0]=4 2066 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-1874728709 [1,1,0,0,0,0|1,1,0]=4 2067 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-3716592032 [1,1,0,0,0,0|1,1,0]=4 2068 B8R0.15 COC(CCN)C(=O)N MCULE-4310174639 [1,1,0,0,0,0|2,0,0]=4 2069 B8R0.15 COC(CCN)C(=O)O MCULE-1510512790 [1,1,0,0,0,0|1,0,0]=3 2070 B8R0.15 COCC(OC)C(=O)O MCULE-5776685365 [1,1,0,0,0,0|0,1,0]=3 2071 B8R0.15 COCC(ON)C(=O)O MCULE-4466158339 [1,1,0,0,0,0|0,1,0]=3 2072 B8R0.15 COCC(ON)C(=O)O MCULE-6084078663 [1,1,0,0,0,0|0,1,0]=3 2073 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [1,1,0,0,0,0|1,0,0]=3 2074 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [1,1,0,0,0,0|1,0,1]=4 2075 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [1,1,0,0,0,0|1,0,1]=4 2076 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [1,1,0,0,0,0|1,0,1]=4 2077 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [1,1,0,0,0,0|1,0,1]=4 2078 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [1,1,0,0,0,0|1,0,1]=4 2079 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [1,1,0,0,0,0|1,0,1]=4 2080 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [1,1,0,0,0,0|1,0,1]=4 2081 B8R0.23 C=C(CC(C)C)C(=O)O MCULE-5929811654 [1,1,0,0,0,0|1,0,1]=4 2082 B8R0.23 CC(=O)C(C)CC(C)C MCULE-9956513410 [1,1,0,0,0,0|2,0,0]=4 2083 B8R0.23 CC(=O)C(N)CC(C)C MCULE-2548441556 [1,1,0,0,0,0|2,0,0]=4 2084 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [1,1,0,0,0,0|1,0,1]=4 2085 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [1,1,0,0,0,0|1,0,1]=4 2086 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [1,1,0,0,0,0|1,0,1]=4 2087 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [1,1,0,0,0,0|1,0,1]=4 2088 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [1,1,0,0,0,0|0,0,1]=3 2089 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [1,1,0,0,0,0|0,0,2]=4 2090 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [1,1,0,0,0,0|1,0,0]=3 2091 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [1,1,0,0,0,0|1,0,0]=3 2092 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [1,1,0,0,0,0|1,0,0]=3 2093 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [1,1,0,0,0,0|1,0,0]=3 2094 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [1,1,0,0,0,0|1,0,0]=3 2095 B8R0.23 CC(C)CC(N)C(=O)N MCULE-8974870406 [1,1,0,0,0,0|2,0,0]=4 2096 B8R0.23 CC(C)CC(N)C(=O)N MCULE-9193295179 [1,1,0,0,0,0|2,0,0]=4 2097 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [1,1,0,0,0,0|1,0,0]=3 2098 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [1,1,0,0,0,0|1,0,0]=3 2099 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [1,1,0,0,0,0|0,0,0]=2 2100 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [1,1,0,0,0,0|0,0,0]=2 2101 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [1,1,0,0,0,0|1,0,0]=3 2102 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [1,1,0,0,0,0|1,0,0]=3 2103 B8R0.23 CC(C)C[C@@H](N)C(=O)N MCULE-6195005494 [1,1,0,0,0,0|2,0,0]=4 2104 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [1,1,0,0,0,0|1,0,0]=3 2105 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [1,1,0,0,0,0|1,0,0]=3 2106 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [1,1,0,0,0,0|0,0,0]=2 2107 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [1,1,0,0,0,0|0,0,0]=2 2108 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [1,1,0,0,0,0|1,0,0]=3 2109 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [1,1,0,0,0,0|1,0,0]=3 2110 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [1,1,0,0,0,0|1,0,0]=3 2111 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [1,1,0,0,0,0|1,0,0]=3 2112 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-3907393760 [1,1,0,0,0,0|2,0,0]=4 2113 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-5393472198 [1,1,0,0,0,0|2,0,0]=4 2114 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-7425207205 [1,1,0,0,0,0|2,0,0]=4 2115 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-8093463847 [1,1,0,0,0,0|2,0,0]=4 2116 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [1,1,0,0,0,0|1,0,0]=3 2117 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [1,1,0,0,0,0|1,0,0]=3 2118 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [1,1,0,0,0,0|1,0,0]=3 2119 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [1,1,0,0,0,0|0,0,0]=2 2120 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [1,1,0,0,0,0|0,0,0]=2 2121 B8R0.23 CC(C)NC(C)C(=O)O MCULE-1412835872 [1,1,0,0,0,0|2,0,0]=4 2122 B8R0.23 CC(C)NC(C)C(=O)O MCULE-5184634957 [1,1,0,0,0,0|2,0,0]=4 2123 B8R0.23 CC(C)OC(C)C(=O)O MCULE-6571129429 [1,1,0,0,0,0|2,0,0]=4 2124 B8R0.23 CC(C)SC(C)C(=O)O MCULE-1620493707 [1,1,0,0,0,0|2,0,0]=4 2125 B8R0.23 CC(CC(F)F)C(=O)O MCULE-2211206695 [1,1,0,0,0,0|2,0,0]=4 2126 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [1,1,0,0,0,0|2,0,0]=4 2127 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [1,1,0,0,0,0|2,0,0]=4 2128 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [1,1,0,0,0,0|1,0,1]=4 2129 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [1,1,0,0,0,0|2,0,0]=4 2130 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [1,1,0,0,0,0|2,0,0]=4 2131 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [1,1,0,0,0,0|1,0,0]=3 2132 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [1,1,0,0,0,0|2,0,0]=4 2133 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [1,1,0,0,0,0|2,0,0]=4 2134 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [1,1,0,0,0,0|2,0,0]=4 2135 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [1,1,0,0,0,0|2,0,0]=4 2136 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [1,1,0,0,0,0|2,0,0]=4 2137 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [1,1,0,0,0,0|1,0,0]=3 2138 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [1,1,0,0,0,0|1,0,1]=4 2139 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [1,1,0,0,0,0|1,0,1]=4 2140 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [1,1,0,0,0,0|1,0,1]=4 2141 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [1,1,0,0,0,0|1,0,0]=3 2142 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [1,1,0,0,0,0|1,0,0]=3 2143 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [1,1,0,0,0,0|1,0,1]=4 2144 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [1,1,0,0,0,0|2,0,0]=4 2145 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [1,1,0,0,0,0|2,0,0]=4 2146 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O MCULE-9426370618 [1,1,0,0,0,0|2,0,0]=4 2147 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [1,1,0,0,0,0|2,0,0]=4 2148 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [1,1,0,0,0,0|2,0,0]=4 2149 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [1,1,0,0,0,0|2,0,0]=4 2150 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [1,1,0,0,0,0|2,0,0]=4 2151 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [1,1,0,0,0,0|2,0,0]=4 2152 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [1,1,0,0,0,0|0,1,1]=4 2153 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [1,1,0,0,0,0|0,1,1]=4 2154 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [1,1,0,0,0,0|0,1,1]=4 2155 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [1,1,0,0,0,0|0,1,1]=4 2156 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [1,1,0,0,0,0|0,1,1]=4 2157 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [1,1,0,0,0,0|0,1,1]=4 2158 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [1,1,0,0,0,0|0,1,1]=4 2159 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-4796212792 [1,1,0,0,0,0|2,0,0]=4 2160 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-7620299780 [1,1,0,0,0,0|2,0,0]=4 2161 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-8990653324 [1,1,0,0,0,0|2,0,0]=4 2162 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [1,1,0,0,0,0|1,0,1]=4 2163 B10R0.6 CCCCCC(C)CC(=O)O MCULE-2066533125 [0,1,0,0,0,1|2,0,0]=4 2164 B10R0.6 CCCCCC(N)CC(=O)O MCULE-1332766356 [0,1,0,0,0,1|2,0,0]=4 2165 B10R0.6 CCCCCC(N)CC(=O)O MCULE-6217126659 [0,1,0,0,0,1|2,0,0]=4 2166 B10R0.6 CCCCCC(O)CC(=O)O MCULE-4825961688 [0,1,0,0,0,1|1,0,0]=3 2167 B10R0.6 CCCCC[C@@H](O)CC(=O)O MCULE-2570880673 [0,1,0,0,0,1|1,0,0]=3 2168 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-3222730819 [0,1,0,0,0,1|1,0,0]=3 2169 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-6407518730 [0,1,0,0,0,1|1,0,0]=3 2170 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-4895569973 [0,1,0,0,0,1|2,0,0]=4 2171 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-7821167225 [0,1,0,0,0,1|2,0,0]=4 2172 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-8763571530 [0,1,0,0,0,1|2,0,0]=4 2173 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-9870503005 [0,1,0,0,0,1|2,0,0]=4 2174 B10R0.18 CCCCC(O)CC(=O)OC MCULE-3777448851 [0,1,0,0,0,1|1,0,0]=3 2175 B10R0.32 CCCC(C)C(N)CC(=O)O MCULE-9134317193 [0,1,0,0,0,1|2,0,0]=4 2176 B10R0.81 CCCCC(N)C(O)C(=O)O MCULE-9772584692 [0,1,0,0,0,1|2,0,0]=4 2177 B10R0.81 CCCC[C@@H](N)[C@H](O)C(=O)O MCULE-8826953669 [0,1,0,0,0,1|2,0,0]=4 2178 B10R0.81 CCCC[C@H](N)[C@H](O)C(=O)O MCULE-6737057860 [0,1,0,0,0,1|2,0,0]=4 2179 B10R0.81 COCCC(C)C(N)C(=O)O MCULE-6609752945 [0,1,0,0,0,1|1,1,0]=4 2180 B10R0.87 CCCCC(CC)CC(=O)O MCULE-3612456700 [0,1,0,0,0,1|2,0,0]=4 2181 B10R0.96 CC(C)CCC(C)CC(=O)O MCULE-4888752092 [0,1,0,0,0,1|2,0,0]=4 2182 B10R0.13 CC(C)CC(N)C(O)C(=O)O MCULE-9980432688 [0,2,0,0,0,0|1,0,0]=3 2183 B10R0.13 CC(C)C[C@H](N)C(O)C(=O)O MCULE-3791004089 [0,2,0,0,0,0|1,0,0]=3 2184 B10R0.13 CC(C)C[C@H](N)C(O)C(=O)O MCULE-4811723103 [0,2,0,0,0,0|1,0,0]=3 2185 B10R0.13 CC(C)C[C@H](N)[C@H](O)C(=O)O MCULE-4375883872 [0,2,0,0,0,0|1,0,0]=3 2186 B10R0.13 CC(C)C[C@H](N)[C@H](O)C(=O)O MCULE-9315705992 [0,2,0,0,0,0|1,0,0]=3 2187 B10R0.56 COC(=O)C(O)C(O)C(=O)O MCULE-5767592339 [0,2,0,0,0,0|0,1,1]=4 2188 B10R0.56 O=C(O)C(O)C(O)C(O)CO MCULE-1338240271 [0,2,0,0,0,0|2,0,0]=4 2189 B10R0.56 O=C(O)C(O)C(O)C(O)CO MCULE-4363749577 [0,2,0,0,0,0|2,0,0]=4 2190 B10R0.56 O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)CO MCULE-9373817144 [0,2,0,0,0,0|2,0,0]=4 2191 B10R0.56 O=C(O)[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-2779105414 [0,2,0,0,0,0|2,0,0]=4 2192 B10R0.56 O=C(O)[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-5681010723 [0,2,0,0,0,0|2,0,0]=4 2193 B10R0.56 O=C(O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-7997735324 [0,2,0,0,0,0|2,0,0]=4 2194 B10R0.56 O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO MCULE-9899945314 [0,2,0,0,0,0|2,0,0]=4 2195 B10R0.56 O=C(O)[C@H](O)[C@H](O)[C@H](O)CO MCULE-7616681724 [0,2,0,0,0,0|2,0,0]=4 2196 B10R0.43 CC(=O)CCC(C)(C)C(=O)O MCULE-7949244890 [0,2,0,0,0,0|2,0,0]=4 2197 B10R0.43 CC(C)CCC(C)(C)C(=O)O MCULE-6233646557 [0,2,0,0,0,0|2,0,0]=4 2198 B10R0.43 CC(C)CCC(C)(N)C(=O)O MCULE-2123997656 [0,2,0,0,0,0|2,0,0]=4 2199 B10R0.43 CC(C)CCC(C)(N)C(=O)O MCULE-6592793938 [0,2,0,0,0,0|2,0,0]=4 2200 B10R0.43 CC(C)CCC(C)(O)C(=O)O MCULE-7779948223 [0,2,0,0,0,0|1,0,0]=3 2201 B10R0.57 COC(=O)C(N)CCC(C)C MCULE-4661683975 [0,2,0,0,0,0|2,0,0]=4 2202 B10R0.57 COC(=O)C(N)CCC(C)C MCULE-8175830083 [0,2,0,0,0,0|2,0,0]=4 2203 B10R0.82 CNC(=O)CCC(N)C(=O)O MCULE-2815144960 [0,2,0,0,0,0|2,0,0]=4 2204 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1417445261 [0,2,0,0,0,0|1,1,0]=4 2205 B10R0.82 COC(=O)CCC(N)C(=O)O MCULE-1495018790 [0,2,0,0,0,0|1,1,0]=4 2206 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-3233905582 [0,2,0,0,0,0|1,1,0]=4 2207 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O MCULE-4870656159 [0,2,0,0,0,0|1,1,0]=4 2208 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-1607830290 [0,2,0,0,0,0|1,1,0]=4 2209 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7380350089 [0,2,0,0,0,0|1,1,0]=4 2210 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-7654158848 [0,2,0,0,0,0|1,1,0]=4 2211 B10R0.82 COC(=O)CC[C@H](N)C(=O)O MCULE-8680968839 [0,2,0,0,0,0|1,1,0]=4 2212 B10R0.82 COC(C)COC(C)C(=O)O MCULE-1581882016 [0,2,0,0,0,0|1,1,0]=4 2213 B10R0.82 NC(CCP(=O)CO)C(=O)O MCULE-2901685887 [0,2,0,0,0,0|2,0,0]=4 2214 B10R0.82 NCC(F)CCC(N)C(=O)O MCULE-5359725270 [0,2,0,0,0,0|2,0,0]=4 2215 B10R0.82 NCC(F)CCC(N)C(=O)O MCULE-7837362209 [0,2,0,0,0,0|2,0,0]=4 2216 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6064290143 [0,2,0,0,0,0|2,0,0]=4 2217 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6546706417 [0,2,0,0,0,0|2,0,0]=4 2218 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-4925093695 [0,2,0,0,0,0|2,0,0]=4 2219 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-7103430731 [0,2,0,0,0,0|2,0,0]=4 2220 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-1390178110 [0,2,0,0,0,0|2,0,0]=4 2221 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-7788161688 [0,2,0,0,0,0|2,0,0]=4 2222 B10R0.84 CCC(CCC(=O)C)C(=O)O MCULE-2983781440 [0,2,0,0,0,0|2,0,0]=4 2223 B10R0.84 CCC(CCC(C)C)C(=O)O MCULE-5167744478 [0,2,0,0,0,0|2,0,0]=4 2224 B10R0.92 CC(C)(C)CCC(N)C(=O)O MCULE-5001409958 [0,2,0,0,0,0|2,0,0]=4 2225 B10R0.92 CC(C)(C)CCC(N)C(=O)O MCULE-7547332237 [0,2,0,0,0,0|2,0,0]=4 2226 B10R0.92 CC(C)(C)CC[C@@H](N)C(=O)O MCULE-3569540908 [0,2,0,0,0,0|2,0,0]=4 2227 B10R0.92 CC(C)(C)CC[C@@H](N)C(=O)O MCULE-9483102958 [0,2,0,0,0,0|2,0,0]=4 2228 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O MCULE-5183011899 [0,2,0,0,0,0|2,0,0]=4 2229 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O MCULE-8076963991 [0,2,0,0,0,0|2,0,0]=4 2230 B10R0.92 CC(C)(C)OCC(O)C(=O)O MCULE-6418183642 [0,2,0,0,0,0|2,0,0]=4 2231 B10R0.92 CC(C)(C)OCC(O)C(=O)O MCULE-9686572497 [0,2,0,0,0,0|2,0,0]=4 2232 B10R0.92 CC(C)(C)OC[C@@H](O)C(=O)O MCULE-4301712117 [0,2,0,0,0,0|2,0,0]=4 2233 B10R0.92 CC(C)(C)OC[C@H](O)C(=O)O MCULE-2235537052 [0,2,0,0,0,0|2,0,0]=4 2234 B10R0.92 CC(C)(C)OC[C@H](O)C(=O)O MCULE-5717525131 [0,2,0,0,0,0|2,0,0]=4 2235 B10R0.92 CC(CCC(C)(C)C)C(=O)O MCULE-1597063738 [0,2,0,0,0,0|2,0,0]=4 2236 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-1038057082 [0,2,0,0,0,0|2,0,0]=4 2237 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-7761179555 [0,2,0,0,0,0|2,0,0]=4 2238 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2268954465 [0,2,0,0,0,0|1,0,1]=4 2239 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2804558075 [0,2,0,0,0,0|1,0,1]=4 2240 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-7485004955 [0,2,0,0,0,0|1,0,1]=4 2241 B10R0.92 CS(=N)(=O)CC[C@@H](N)C(=O)O MCULE-3997574746 [0,2,0,0,0,0|1,0,1]=4 2242 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-1068341907 [0,2,0,0,0,0|1,0,1]=4 2243 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-3093123817 [0,2,0,0,0,0|1,0,1]=4 2244 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MCULE-8107053430 [0,2,0,0,0,0|1,0,1]=4 2245 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-1126326759 [0,2,0,0,0,0|1,0,1]=4 2246 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-3558725435 [0,2,0,0,0,0|1,0,1]=4 2247 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-2269540933 [0,2,0,0,0,0|1,0,1]=4 2248 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-4203364916 [0,2,0,0,0,0|1,0,1]=4 2249 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MCULE-2122152001 [0,2,0,0,0,0|2,0,0]=4 2250 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-2660596864 [0,2,0,0,0,0|2,0,0]=4 2251 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-6180379673 [0,2,0,0,0,0|2,0,0]=4 2252 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-2217204949 [0,2,0,0,0,0|2,0,0]=4 2253 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8271752005 [0,2,0,0,0,0|2,0,0]=4 2254 B10R0.93 N[C@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8040485498 [0,2,0,0,0,0|2,0,0]=4 2255 B10R0.19 CCCCC(Br)C(=O)OCC MCULE-3410486181 [0,2,0,0,0,0|2,0,0]=4 2256 B10R0.19 CCCCC(N)C(=O)OCC MCULE-5403085036 [0,2,0,0,0,0|2,0,0]=4 2257 B10R0.19 CCCCC(O)C(=O)OCC MCULE-4503955337 [0,2,0,0,0,0|1,0,0]=3 2258 B10R0.19 CCOC(=O)C(N)CCSC MCULE-3027327514 [0,2,0,0,0,0|1,0,0]=3 2259 B10R0.19 CCOC(=O)C(N)CCSC MCULE-5873613959 [0,2,0,0,0,0|1,0,0]=3 2260 B10R0.19 CCOC(=O)C(N)CCSC MCULE-6683307625 [0,2,0,0,0,0|1,0,0]=3 2261 B10R0.19 CCOC(=O)C(N)CCSC MCULE-9963255300 [0,2,0,0,0,0|1,0,0]=3 2262 B10R0.19 CCOC(=O)C(O)CCSC MCULE-5087273039 [0,2,0,0,0,0|0,0,0]=2 2263 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-2603296581 [0,2,0,0,0,0|1,0,0]=3 2264 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-6126904564 [0,2,0,0,0,0|1,0,0]=3 2265 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-6254414481 [0,2,0,0,0,0|1,0,0]=3 2266 B10R0.19 CCOC(=O)[C@H](N)CCSC MCULE-6350339090 [0,2,0,0,0,0|1,0,0]=3 2267 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-4024487209 [0,2,0,0,0,0|1,0,0]=3 2268 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-4906972094 [0,2,0,0,0,0|1,0,0]=3 2269 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-5780620225 [0,2,0,0,0,0|1,0,0]=3 2270 B10R0.19 [C@H](N)(CCSC)C(=O)OCC MCULE-6331108043 [0,2,0,0,0,0|1,0,0]=3 2271 B10R0.46 CCC(C)CC(N)C(=O)OC MCULE-8079693097 [0,2,0,0,0,0|2,0,0]=4 2272 B10R0.46 COC(=O)CC(O)C(=O)OC MCULE-7469251782 [0,2,0,0,0,0|0,1,1]=4 2273 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC MCULE-1517388811 [0,2,0,0,0,0|0,1,1]=4 2274 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC MCULE-9934344103 [0,2,0,0,0,0|0,1,1]=4 2275 B10R0.46 COC(=O)C[C@H](O)C(=O)OC MCULE-5763222655 [0,2,0,0,0,0|0,1,1]=4 2276 B10R0.46 COC(=O)C[C@H](O)C(=O)OC MCULE-8038750949 [0,2,0,0,0,0|0,1,1]=4 2277 B10R0.83 CCCCCC(N)C(=O)OC MCULE-2018052401 [0,2,0,0,0,0|2,0,0]=4 2278 B10R0.83 CCCCCC(N)C(=O)OC MCULE-5487541008 [0,2,0,0,0,0|2,0,0]=4 2279 B10R0.83 CCCCCC(O)C(=O)OC MCULE-9996510127 [0,2,0,0,0,0|1,0,0]=3 2280 B10R0.83 COC(=O)C(N)CCCCN MCULE-4653959448 [0,2,0,0,0,0|2,0,0]=4 2281 B10R0.83 COC(=O)C(N)CCCCN MCULE-5717864681 [0,2,0,0,0,0|2,0,0]=4 2282 B10R0.83 COC(=O)C(N)CCCCN MCULE-8914801986 [0,2,0,0,0,0|2,0,0]=4 2283 B10R0.83 COC(=O)C(N)CCCCO MCULE-5166100554 [0,2,0,0,0,0|2,0,0]=4 2284 B10R0.83 COC(=O)C(N)CCCCO MCULE-6738034786 [0,2,0,0,0,0|2,0,0]=4 2285 B10R0.83 COC(=O)C([NH3+])CCCC[NH3+] MCULE-3249374734 [0,2,0,0,0,0|2,0,0]=4 2286 B10R0.83 COC(=O)[C@@H](N)CCCCN MCULE-1350520573 [0,2,0,0,0,0|2,0,0]=4 2287 B10R0.83 COC(=O)[C@@H](N)CCCCN MCULE-6307487491 [0,2,0,0,0,0|2,0,0]=4 2288 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-2204531892 [0,2,0,0,0,0|2,0,0]=4 2289 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-2624615589 [0,2,0,0,0,0|2,0,0]=4 2290 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-6994501008 [0,2,0,0,0,0|2,0,0]=4 2291 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-7046980735 [0,2,0,0,0,0|2,0,0]=4 2292 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-7404594930 [0,2,0,0,0,0|2,0,0]=4 2293 B10R0.83 NCCCC[C@H](N)C(=O)NO MCULE-6731609596 [0,2,0,0,0,0|2,0,0]=4 2294 B10R0.83 [C@H](N)(CCCCN)C(=O)OC MCULE-5018936719 [0,2,0,0,0,0|2,0,0]=4 2295 B10R0.83 [C@H](N)(CCCCN)C(=O)OC MCULE-8447837964 [0,2,0,0,0,0|2,0,0]=4 2296 B10R0.85 CCCCC(CC)C(=O)NO MCULE-8893204526 [0,2,0,0,0,0|2,0,0]=4 2297 B10R0.85 CCCCC(CC)C(=O)OC MCULE-4166830485 [0,2,0,0,0,0|2,0,0]=4 2298 B10R0.85 CCCCC(NC)C(=O)OC MCULE-3306743514 [0,2,0,0,0,0|2,0,0]=4 2299 B10R0.124 CCCCC(F)(F)C(=O)OC MCULE-4824708830 [0,2,0,0,0,0|2,0,0]=4 2300 B10R0.124 COCCC(C)(N)C(=O)OC MCULE-5268429900 [0,2,0,0,0,0|1,1,0]=4 2301 B10R0.17 CCCCC(C(=O)O)C(=O)O MCULE-4493343687 [0,2,0,0,0,0|1,0,0]=3 2302 B10R0.17 CCCCC(C(=O)O)C(C)C MCULE-9724362832 [0,2,0,0,0,0|2,0,0]=4 2303 B10R0.17 CCCCC(C(=O)O)N(C)C MCULE-6841521624 [0,2,0,0,0,0|2,0,0]=4 2304 B10R0.17 CCCC[C@H](C(=O)O)N(C)C MCULE-9240540420 [0,2,0,0,0,0|2,0,0]=4 2305 B10R0.17 CSCCC(C(=O)O)N(C)C MCULE-9926404769 [0,2,0,0,0,0|1,0,0]=3 2306 B10R0.17 CSCC[C@@H](C(=O)O)N(C)C MCULE-5085715326 [0,2,0,0,0,0|1,0,0]=3 2307 B10R0.17 CSCC[C@H](C(=O)O)N(C)C MCULE-7026121281 [0,2,0,0,0,0|1,0,0]=3 2308 B10R0.17 NCCCC(C(=O)O)C(=O)O MCULE-4043949471 [0,2,0,0,0,0|2,0,0]=4 2309 B10R0.86 CCCCCC(CC)C(=O)O MCULE-3515775261 [0,2,0,0,0,0|2,0,0]=4 2310 B10R0.86 CNC(CCCCN)C(=O)O MCULE-3351204873 [0,2,0,0,0,0|2,0,0]=4 2311 B10R0.86 CNC(CCCCN)C(=O)O MCULE-6279634717 [0,2,0,0,0,0|2,0,0]=4 2312 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-1289342070 [0,2,0,0,0,0|2,0,0]=4 2313 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-4082358865 [0,2,0,0,0,0|2,0,0]=4 2314 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-5920807456 [0,2,0,0,0,0|2,0,0]=4 2315 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-9072694055 [0,2,0,0,0,0|2,0,0]=4 2316 B10R0.88 CCCCC(CCC)C(=O)O MCULE-6453713560 [0,2,0,0,0,0|2,0,0]=4 2317 B10R0.88 CCCCC(OCC)C(=O)O MCULE-8965525992 [0,2,0,0,0,0|1,0,0]=3 2318 B10R0.88 CCCC[C@H](NC=O)C(=O)O MCULE-4509479689 [0,2,0,0,0,0|1,0,1]=4 2319 B10R0.88 CCCC[C@H](NC=O)C(=O)O MCULE-9386007072 [0,2,0,0,0,0|1,0,1]=4 2320 B10R0.88 CSCCC(N=N#N)C(=O)[O-] MCULE-4216585953 [0,2,0,0,0,0|1,0,1]=4 2321 B10R0.88 CSCCC(N=N#N)C(=O)[O-] MCULE-9508916498 [0,2,0,0,0,0|1,0,1]=4 2322 B10R0.88 CSCCC(NC=O)C(=O)O MCULE-1321874627 [0,2,0,0,0,0|0,0,1]=3 2323 B10R0.88 CSCC[C@@H](N=[N+]=[N-])C(=O)O MCULE-4913744617 [0,2,0,0,0,0|1,0,0]=3 2324 B10R0.88 CSCC[C@@H](N=[N+]=[N-])C(=O)O MCULE-6869218736 [0,2,0,0,0,0|1,0,0]=3 2325 B10R0.88 CSCC[C@@H](NC=O)C(=O)O MCULE-1193383828 [0,2,0,0,0,0|0,0,1]=3 2326 B10R0.88 CSCC[C@H](N=[N+]=[N-])C(=O)O MCULE-3349550763 [0,2,0,0,0,0|1,0,0]=3 2327 B10R0.88 CSCC[C@H](N=[N+]=[N-])C(=O)O MCULE-5583634379 [0,2,0,0,0,0|1,0,0]=3 2328 B10R0.88 CSCC[C@H](NC=O)C(=O)O MCULE-6184653272 [0,2,0,0,0,0|0,0,1]=3 2329 B10R0.88 CSCC[C@H](NC=O)C(=O)O MCULE-8050291491 [0,2,0,0,0,0|0,0,1]=3 2330 B10R0.133 C=CC(C)(CCOC)C(=O)O MCULE-4169963054 [0,2,0,0,0,0|1,1,0]=4 2331 B10R0.133 CCCC[C@](N)(CC)C(=O)O MCULE-5511664944 [0,2,0,0,0,0|2,0,0]=4 2332 B10R0.133 CCCC[C@](N)(CC)C(=O)O MCULE-7828282573 [0,2,0,0,0,0|2,0,0]=4 2333 B10R0.26 CCCC(C)CC(N)C(=O)O MCULE-8848436054 [0,2,0,0,0,0|2,0,0]=4 2334 B10R0.26 CCCS(=O)CC(N)C(=O)O MCULE-8745806923 [0,2,0,0,0,0|2,0,0]=4 2335 B10R0.26 CCCS(=O)C[C@H](N)C(=O)O MCULE-6968745632 [0,2,0,0,0,0|2,0,0]=4 2336 B10R0.67 COC(C)(C)CC(N)C(=O)O MCULE-1291000987 [0,2,0,0,0,0|1,1,0]=4 2337 B10R0.67 COC(C)(C)CC(O)C(=O)O MCULE-5362367135 [0,2,0,0,0,0|0,1,0]=3 2338 B10R0.72 CCC(CC)CC(C)C(=O)O MCULE-7999332262 [0,2,0,0,0,0|2,0,0]=4 2339 B10R0.42 CCCCCC(C)(C)C(=O)O MCULE-7728669545 [0,2,0,0,0,0|2,0,0]=4 2340 B10R0.42 COCOCC(C)(C)C(=O)O MCULE-1038403250 [0,2,0,0,0,0|1,1,0]=4 2341 B10R0.42 C[C@@](N)(CCCCN)C(=O)O MCULE-5286287442 [0,2,0,0,0,0|2,0,0]=4 2342 B10R0.75 C=CCCCCC(N)C(=O)O MCULE-9003674294 [0,2,0,0,0,0|2,0,0]=4 2343 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-5424595854 [0,2,0,0,0,0|2,0,0]=4 2344 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-7894205841 [0,2,0,0,0,0|2,0,0]=4 2345 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-6386840550 [0,2,0,0,0,0|2,0,0]=4 2346 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-8206632491 [0,2,0,0,0,0|2,0,0]=4 2347 B10R0.75 C=CCSSC[C@H](N)C(=O)O MCULE-8012244687 [0,2,0,0,0,0|2,0,0]=4 2348 B10R0.75 CCCCCCC(Br)C(=O)O MCULE-3532642872 [0,2,0,0,0,0|2,0,0]=4 2349 B10R0.75 CCCCCCC(C)C(=O)O MCULE-6664640382 [0,2,0,0,0,0|2,0,0]=4 2350 B10R0.75 CCCCCCC(F)C(=O)O MCULE-3865739259 [0,2,0,0,0,0|2,0,0]=4 2351 B10R0.75 CCCCCCC(N)C(=O)O MCULE-2527731470 [0,2,0,0,0,0|2,0,0]=4 2352 B10R0.75 CCCCCCC(N)C(=O)O MCULE-5498377990 [0,2,0,0,0,0|2,0,0]=4 2353 B10R0.75 CCCCCCC(O)C(=O)O MCULE-1679305682 [0,2,0,0,0,0|1,0,0]=3 2354 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9163680563 [0,2,0,0,0,0|2,0,0]=4 2355 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9959237270 [0,2,0,0,0,0|2,0,0]=4 2356 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-6660531044 [0,2,0,0,0,0|2,0,0]=4 2357 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-7151037911 [0,2,0,0,0,0|2,0,0]=4 2358 B10R0.75 CCCCSC[C@@H](N)C(=O)O MCULE-8737283640 [0,2,0,0,0,0|2,0,0]=4 2359 B10R0.75 CCCCSC[C@H](N)C(=O)O MCULE-5383064231 [0,2,0,0,0,0|2,0,0]=4 2360 B10R0.75 CCOCCOC(C)C(=O)O MCULE-1855650459 [0,2,0,0,0,0|1,1,0]=4 2361 B10R0.75 CNCCCCC(N)C(=O)O MCULE-5703952072 [0,2,0,0,0,0|2,0,0]=4 2362 B10R0.75 CNCCCCC(N)C(=O)O MCULE-8267439974 [0,2,0,0,0,0|2,0,0]=4 2363 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-4130643324 [0,2,0,0,0,0|2,0,0]=4 2364 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-5394599260 [0,2,0,0,0,0|2,0,0]=4 2365 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6328038825 [0,2,0,0,0,0|2,0,0]=4 2366 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6736060504 [0,2,0,0,0,0|2,0,0]=4 2367 B10R0.75 COCCSCC(N)C(=O)O MCULE-1808987613 [0,2,0,0,0,0|1,1,0]=4 2368 B10R0.75 NC(CCNCC=O)C(=O)O MCULE-6659524915 [0,2,0,0,0,0|2,0,0]=4 2369 B10R0.75 NC(CSCCCO)C(=O)O MCULE-6250464318 [0,2,0,0,0,0|2,0,0]=4 2370 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-7846811170 [0,2,0,0,0,0|2,0,0]=4 2371 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-8562914837 [0,2,0,0,0,0|2,0,0]=4 2372 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-4522889843 [0,2,0,0,0,0|2,0,0]=4 2373 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-9026496023 [0,2,0,0,0,0|2,0,0]=4 2374 B10R0.75 NCCCSC[C@H](N)C(=O)O MCULE-9670718396 [0,2,0,0,0,0|2,0,0]=4 2375 B10R0.75 NCCC[Se]C[C@H](N)C(=O)O MCULE-4318104451 [0,2,0,0,0,0|2,0,0]=4 2376 B10R0.75 N[C@@H](CCSCCO)C(=O)O MCULE-2974080305 [0,2,0,0,0,0|1,0,0]=3 2377 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-1323141415 [0,2,0,0,0,0|2,0,0]=4 2378 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-8256841743 [0,2,0,0,0,0|2,0,0]=4 2379 B10R0.75 N[C@@H](CSSCCO)C(=O)O MCULE-7717227685 [0,2,0,0,0,0|2,0,0]=4 2380 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,2,0,0,0,0|2,0,0]=4 2381 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,2,0,0,0,0|2,0,0]=4 2382 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,2,0,0,0,0|2,0,0]=4 2383 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,2,0,0,0,0|1,1,0]=4 2384 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,2,0,0,0,0|1,1,0]=4 2385 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,2,0,0,0,0|1,1,0]=4 2386 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,2,0,0,0,0|1,1,0]=4 2387 B10R0.98 CC(C)CCCC(C)C(=O)O MCULE-3667108752 [0,2,0,0,0,0|2,0,0]=4 2388 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-5699505174 [0,2,0,0,0,0|2,0,0]=4 2389 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-8151358815 [0,2,0,0,0,0|2,0,0]=4 2390 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-3341158972 [0,2,0,0,0,0|2,0,0]=4 2391 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-6452147303 [0,2,0,0,0,0|2,0,0]=4 2392 B10R0.98 CC(C)CCOC(C)C(=O)O MCULE-3181346418 [0,2,0,0,0,0|2,0,0]=4 2393 B10R0.98 CC(N)CCCC(C)C(=O)O MCULE-5130020295 [0,2,0,0,0,0|2,0,0]=4 2394 B10R0.98 CC(N)CCCC(C)C(=O)O MCULE-6070288614 [0,2,0,0,0,0|2,0,0]=4 2395 B10R0.98 CN(C)CCC[C@H](N)C(=O)O MCULE-9481059271 [0,2,0,0,0,0|2,0,0]=4 2396 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,2,0,0,0,0|1,0,1]=4 2397 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,2,0,0,0,0|1,0,1]=4 2398 B8R1.1 CC1CCC(C1)C=O MCULE-9381232427 [1,0,0,1,0,0|2,0,0]=4 2399 B8R1.1 CC1CCC(O1)CO MCULE-1587985152 [1,0,0,1,0,0|1,0,1]=4 2400 B8R1.1 C[C@@H]1CC[C@@H](O1)CO MCULE-1981408927 [1,0,0,1,0,0|1,0,1]=4 2401 B8R1.1 C[C@@H]1CC[C@@H](O1)CO MCULE-2750103072 [1,0,0,1,0,0|1,0,1]=4 2402 B8R1.1 C[C@H]1CC[C@H](O1)CO MCULE-2585928492 [1,0,0,1,0,0|1,0,1]=4 2403 B8R1.1 C[C@H]1CC[C@H](O1)CO MCULE-3715649264 [1,0,0,1,0,0|1,0,1]=4 2404 B8R1.2 O=CC1CCC=CO1 MCULE-1271711654 [1,0,0,1,0,0|1,0,1]=4 2405 B8R1.2 O=CC1CCCCC1 MCULE-7345097178 [1,0,0,1,0,0|2,0,0]=4 2406 B8R1.2 O=CC1CCCCN1 MCULE-7681438476 [1,0,0,1,0,0|2,0,0]=4 2407 B8R1.2 O=CC1CCCCN1 MCULE-9370686295 [1,0,0,1,0,0|2,0,0]=4 2408 B8R1.2 O=CC1CCCCO1 MCULE-6497412510 [1,0,0,1,0,0|1,0,0]=3 2409 B8R1.2 O=CC1CCNCC1 MCULE-3856245073 [1,0,0,1,0,0|2,0,0]=4 2410 B8R1.2 O=CC1CCNCC1 MCULE-8439609130 [1,0,0,1,0,0|2,0,0]=4 2411 B8R1.2 O=CC1CCOCC1 MCULE-6884786677 [1,0,0,1,0,0|1,1,0]=4 2412 B8R1.2 O=CC1CCSCC1 MCULE-4728594373 [1,0,0,1,0,0|1,0,0]=3 2413 B8R1.2 O=CC1COCCO1 MCULE-3817488986 [1,0,0,1,0,0|2,0,0]=4 2414 B8R1.2 O=C[C@@H]1CCC=CO1 MCULE-1864295712 [1,0,0,1,0,0|1,0,1]=4 2415 B8R1.2 OCC1CCCCO1 MCULE-2390789074 [1,0,0,1,0,0|1,0,1]=4 2416 B8R1.2 OCC1CCCCO1 MCULE-7483291767 [1,0,0,1,0,0|1,0,1]=4 2417 B8R1.2 OCC1CCNCO1 MCULE-2495139428 [1,0,0,1,0,0|1,0,1]=4 2418 B8R1.2 OCC1CCNCO1 MCULE-8567556837 [1,0,0,1,0,0|1,0,1]=4 2419 B8R1.2 OCC1CCOCO1 MCULE-2733488185 [1,0,0,1,0,0|0,1,1]=4 2420 B8R1.2 OCC1CCSCC1 MCULE-5223983457 [1,0,0,1,0,0|1,0,1]=4 2421 B8R1.2 OC[C@@H]1CCCCO1 MCULE-5978396739 [1,0,0,1,0,0|1,0,1]=4 2422 B8R1.2 OC[C@@H]1CCCCO1 MCULE-8715909099 [1,0,0,1,0,0|1,0,1]=4 2423 B8R1.2 OC[C@H]1CCCCO1 MCULE-4700719427 [1,0,0,1,0,0|1,0,1]=4 2424 B8R1.2 OC[C@H]1CCCCO1 MCULE-7990169259 [1,0,0,1,0,0|1,0,1]=4 2425 B8R1.3 CC1CCC(CO1)O MCULE-8416383333 [1,0,0,1,0,0|1,0,1]=4 2426 B8R1.5 C=C1CCCCC1O MCULE-3853228524 [1,0,0,1,0,0|2,0,0]=4 2427 B8R1.5 C=C1CCCCC1O MCULE-5911864977 [1,0,0,1,0,0|2,0,0]=4 2428 B8R1.5 CC1CCCCC1=O MCULE-6363555535 [1,0,0,1,0,0|2,0,0]=4 2429 B8R1.5 CC1CCNCC1=O MCULE-8618050685 [1,0,0,1,0,0|2,0,0]=4 2430 B8R1.5 CC1CCNCC1=O MCULE-9238977073 [1,0,0,1,0,0|2,0,0]=4 2431 B8R1.5 CC1CCOCC1=O MCULE-2481965177 [1,0,0,1,0,0|1,1,0]=4 2432 B8R1.5 NC1CCCCC1=O MCULE-2382898926 [1,0,0,1,0,0|2,0,0]=4 2433 B8R1.5 NC1CCCCC1=O MCULE-9230455128 [1,0,0,1,0,0|2,0,0]=4 2434 B8R1.5 O=C1CCCCC1Br MCULE-9356057483 [1,0,0,1,0,0|2,0,0]=4 2435 B8R1.5 O=C1CCCCC1Cl MCULE-1580566298 [1,0,0,1,0,0|2,0,0]=4 2436 B8R1.5 O=C1CCCCC1F MCULE-6406930837 [1,0,0,1,0,0|2,0,0]=4 2437 B8R1.5 O=C1CCCCC1O MCULE-7509366699 [1,0,0,1,0,0|1,0,0]=3 2438 B8R1.5 O=C1CCOCC1O MCULE-7032874317 [1,0,0,1,0,0|2,0,0]=4 2439 B8R1.5 O=C1NCCCC1O MCULE-4922755542 [1,0,0,1,0,0|2,0,0]=4 2440 B8R1.5 O=C1NCCC[C@@H]1O MCULE-2813817931 [1,0,0,1,0,0|2,0,0]=4 2441 B8R1.5 O=C1NCCC[C@@H]1O MCULE-3354550946 [1,0,0,1,0,0|2,0,0]=4 2442 B8R1.5 O=C1NCCC[C@H]1O MCULE-2892218765 [1,0,0,1,0,0|2,0,0]=4 2443 B8R1.5 O=C1NCCC[C@H]1O MCULE-8394704933 [1,0,0,1,0,0|2,0,0]=4 2444 B8R1.5 O=C1OCCCC1O MCULE-3021418071 [1,0,0,1,0,0|2,0,0]=4 2445 B8R1.5 OC1CCCCC1O MCULE-2967360901 [1,0,0,1,0,0|1,0,1]=4 2446 B8R1.5 OC1CCNCC1O MCULE-3039573850 [1,0,0,1,0,0|1,0,1]=4 2447 B8R1.5 OC1CCNCC1O MCULE-8828122539 [1,0,0,1,0,0|1,0,1]=4 2448 B8R1.5 OC1CSSCC1O MCULE-3716589710 [1,0,0,1,0,0|1,0,1]=4 2449 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-3067807104 [1,0,0,1,0,0|1,0,1]=4 2450 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-3429096841 [1,0,0,1,0,0|1,0,1]=4 2451 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-9892753066 [1,0,0,1,0,0|1,0,1]=4 2452 B8R1.5 O[C@@H]1CCNC[C@H]1O MCULE-3688872623 [1,0,0,1,0,0|1,0,1]=4 2453 B8R1.5 O[C@@H]1CCNC[C@H]1O MCULE-5098984807 [1,0,0,1,0,0|1,0,1]=4 2454 B8R1.5 O[C@@H]1CSSC[C@H]1O MCULE-2981026113 [1,0,0,1,0,0|1,0,1]=4 2455 B8R1.5 O[C@H]1CCCC[C@@H]1O MCULE-7078207162 [1,0,0,1,0,0|1,0,1]=4 2456 B8R1.5 O[C@H]1CCCC[C@@H]1O MCULE-9836847707 [1,0,0,1,0,0|1,0,1]=4 2457 B8R1.5 O[C@H]1CCCC[C@H]1O MCULE-3539097516 [1,0,0,1,0,0|1,0,1]=4 2458 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-1740802653 [1,0,0,1,0,0|1,0,1]=4 2459 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-5396588753 [1,0,0,1,0,0|1,0,1]=4 2460 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-6762598540 [1,0,0,1,0,0|1,0,1]=4 2461 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-9747818285 [1,0,0,1,0,0|1,0,1]=4 2462 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-2865586489 [1,0,0,1,0,0|1,0,1]=4 2463 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-6097537639 [1,0,0,1,0,0|1,0,1]=4 2464 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-8152004203 [1,0,0,1,0,0|1,0,1]=4 2465 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-8500578666 [1,0,0,1,0,0|1,0,1]=4 2466 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-2884977174 [1,0,0,1,0,0|1,0,1]=4 2467 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-4059971580 [1,0,0,1,0,0|1,0,1]=4 2468 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-4860264041 [1,0,0,1,0,0|1,0,1]=4 2469 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-5794552949 [1,0,0,1,0,0|1,0,1]=4 2470 B8R1.5 O[C@H]1CSSC[C@@H]1O MCULE-2785197932 [1,0,0,1,0,0|1,0,1]=4 2471 B8R1.5 O[C@H]1CSSC[C@@H]1O MCULE-5975753187 [1,0,0,1,0,0|1,0,1]=4 2472 B8R1.5 [C@@H]1(CNCC[C@H]1O)O MCULE-7522153539 [1,0,0,1,0,0|1,0,1]=4 2473 B8R1.5 [C@@H]1(CNCC[C@H]1O)O MCULE-8922491067 [1,0,0,1,0,0|1,0,1]=4 2474 B8R1.5 [C@H]1(CCNC[C@H]1O)O MCULE-2825513554 [1,0,0,1,0,0|1,0,1]=4 2475 B8R1.5 [C@H]1(CCNC[C@H]1O)O MCULE-3902017522 [1,0,0,1,0,0|1,0,1]=4 2476 B8R1.38 CC(C=O)C1CCC1 MCULE-5860376202 [1,0,0,1,0,0|2,0,0]=4 2477 B8R1.38 OCC(O)C1CCC1 MCULE-5695655912 [1,0,0,1,0,0|1,0,1]=4 2478 B8R1.47 COC1CC(C1)C=O MCULE-5156102264 [1,0,0,1,0,0|1,1,0]=4 2479 B8R1.50 CC1CCC(C1=O)C MCULE-1473375660 [1,0,0,1,0,0|2,0,0]=4 2480 B8R1.50 CC1CCC(C1O)O MCULE-3292232581 [1,0,0,1,0,0|1,0,1]=4 2481 B8R1.50 CC1CCN(C1=O)C MCULE-1499213360 [1,0,0,1,0,0|2,0,0]=4 2482 B8R1.50 CN1CCC(C1=O)Br MCULE-9857530514 [1,0,0,1,0,0|2,0,0]=4 2483 B8R1.50 CN1CCC(C1=O)Cl MCULE-5732339719 [1,0,0,1,0,0|2,0,0]=4 2484 B8R1.50 CN1CCC(C1=O)N MCULE-2896853309 [1,0,0,1,0,0|2,0,0]=4 2485 B8R1.50 CN1CCC(C1=O)N MCULE-5951659989 [1,0,0,1,0,0|2,0,0]=4 2486 B8R1.50 CN1CCC(C1=O)O MCULE-6867263123 [1,0,0,1,0,0|1,0,0]=3 2487 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-3820062607 [1,0,0,1,0,0|2,0,0]=4 2488 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-7270649984 [1,0,0,1,0,0|2,0,0]=4 2489 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-8015311112 [1,0,0,1,0,0|2,0,0]=4 2490 B8R1.50 CN1CC[C@H](C1=O)N MCULE-1278006515 [1,0,0,1,0,0|2,0,0]=4 2491 B8R1.50 CN1CC[C@H](C1=O)N MCULE-3751335664 [1,0,0,1,0,0|2,0,0]=4 2492 B8R1.50 CN1CC[C@H](C1=O)N MCULE-4883949932 [1,0,0,1,0,0|2,0,0]=4 2493 B8R1.50 CN1CC[C@H](C1=O)N MCULE-7143065464 [1,0,0,1,0,0|2,0,0]=4 2494 B8R1.52 CC1(CCCC1)C=O MCULE-2794420297 [1,0,0,1,0,0|2,0,0]=4 2495 B8R1.52 NC1(CCSC1)CO MCULE-2703002887 [1,0,0,1,0,0|1,0,1]=4 2496 B8R1.52 NCC1(CCSC1)O MCULE-7330229410 [1,0,0,1,0,0|1,0,1]=4 2497 B8R1.52 O=CC1(CCCC1)F MCULE-6748021302 [1,0,0,1,0,0|2,0,0]=4 2498 B8R1.52 OCC1(CCCC1)O MCULE-2433996412 [1,0,0,1,0,0|1,0,1]=4 2499 B8R1.52 OCC1(CCNC1)O MCULE-3674536626 [1,0,0,1,0,0|1,0,1]=4 2500 B8R1.52 OCC1(CCNC1)O MCULE-5764281061 [1,0,0,1,0,0|1,0,1]=4 2501 B8R1.52 OCC1(CCOC1)O MCULE-3033948661 [1,0,0,1,0,0|0,1,1]=4 2502 B8R1.52 OCC1(CCSC1)O MCULE-1555119227 [1,0,0,1,0,0|0,0,1]=3 2503 B8R1.52 OC[C@@]1(CCNC1)O MCULE-1108854673 [1,0,0,1,0,0|1,0,1]=4 2504 B8R1.52 OC[C@@]1(CCNC1)O MCULE-3832592153 [1,0,0,1,0,0|1,0,1]=4 2505 B8R1.4 C=C1CCCC(=O)O1 MCULE-1342678884 [1,0,0,1,0,0|1,0,1]=4 2506 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [1,0,0,1,0,0|2,0,0]=4 2507 B8R1.4 CC1=CCCC(=O)O1 MCULE-1590433845 [1,0,0,1,0,0|1,0,1]=4 2508 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [1,0,0,1,0,0|2,0,0]=4 2509 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [1,0,0,1,0,0|2,0,0]=4 2510 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [1,0,0,1,0,0|2,0,0]=4 2511 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [1,0,0,1,0,0|1,0,0]=3 2512 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [1,0,0,1,0,0|2,0,0]=4 2513 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [1,0,0,1,0,0|2,0,0]=4 2514 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [1,0,0,1,0,0|2,0,0]=4 2515 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [1,0,0,1,0,0|2,0,0]=4 2516 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [1,0,0,1,0,0|2,0,0]=4 2517 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [1,0,0,1,0,0|2,0,0]=4 2518 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [1,0,0,1,0,0|2,0,0]=4 2519 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [1,0,0,1,0,0|1,0,0]=3 2520 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [1,0,0,1,0,0|1,0,0]=3 2521 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [1,0,0,1,0,0|2,0,0]=4 2522 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [1,0,0,1,0,0|2,0,0]=4 2523 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [1,0,0,1,0,0|2,0,0]=4 2524 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [1,0,0,1,0,0|2,0,0]=4 2525 B8R1.6 CCCC1CC(=O)C1 MCULE-8820429798 [1,0,0,1,0,0|2,0,0]=4 2526 B8R1.6 COCC1CC(=O)C1 MCULE-2514529767 [1,0,0,1,0,0|1,1,0]=4 2527 B8R1.7 C1(CCNC1)C(=O)N MCULE-4476688014 [1,0,0,1,0,0|2,0,0]=4 2528 B8R1.7 C1(CCNC1)C(=O)N MCULE-8592806332 [1,0,0,1,0,0|2,0,0]=4 2529 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [1,0,0,1,0,0|1,0,0]=3 2530 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [1,0,0,1,0,0|1,0,0]=3 2531 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [1,0,0,1,0,0|0,1,0]=3 2532 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [1,0,0,1,0,0|2,0,0]=4 2533 B8R1.7 CC(=O)C1CCNC1 MCULE-2147779518 [1,0,0,1,0,0|2,0,0]=4 2534 B8R1.7 CC(=O)C1CCNC1 MCULE-2964372059 [1,0,0,1,0,0|2,0,0]=4 2535 B8R1.7 CC(=O)C1CCOC1 MCULE-2105633909 [1,0,0,1,0,0|1,1,0]=4 2536 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [1,0,0,1,0,0|2,0,0]=4 2537 B8R1.7 NC(=O)C1CCNC1 MCULE-6035608651 [1,0,0,1,0,0|2,0,0]=4 2538 B8R1.7 NC(=O)C1CCNC1 MCULE-8602888952 [1,0,0,1,0,0|2,0,0]=4 2539 B8R1.7 NC(=O)C1CCOC1 MCULE-7120435380 [1,0,0,1,0,0|1,1,0]=4 2540 B8R1.7 NC(=O)C1CSCN1 MCULE-7557874523 [1,0,0,1,0,0|2,0,0]=4 2541 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1320057579 [1,0,0,1,0,0|2,0,0]=4 2542 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1678228480 [1,0,0,1,0,0|2,0,0]=4 2543 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-3340066069 [1,0,0,1,0,0|2,0,0]=4 2544 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-8833406496 [1,0,0,1,0,0|2,0,0]=4 2545 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-1673594093 [1,0,0,1,0,0|2,0,0]=4 2546 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-6725123306 [1,0,0,1,0,0|2,0,0]=4 2547 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-7222756259 [1,0,0,1,0,0|2,0,0]=4 2548 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-8100234071 [1,0,0,1,0,0|2,0,0]=4 2549 B8R1.7 NC(=O)[C@H]1CCOC1 MCULE-1231475693 [1,0,0,1,0,0|1,1,0]=4 2550 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [1,0,0,1,0,0|2,0,0]=4 2551 B8R1.7 O=C(Cl)C1CCOC1 MCULE-9071234830 [1,0,0,1,0,0|1,1,0]=4 2552 B8R1.7 O=C(O)C1=CCSC1 MCULE-3187835692 [1,0,0,1,0,0|0,0,2]=4 2553 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [1,0,0,1,0,0|1,0,1]=4 2554 B8R1.7 O=C(O)C1CC=CC1 MCULE-7876630177 [1,0,0,1,0,0|1,0,1]=4 2555 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [1,0,0,1,0,0|2,0,0]=4 2556 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [1,0,0,1,0,0|1,0,0]=3 2557 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [1,0,0,1,0,0|2,0,0]=4 2558 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [1,0,0,1,0,0|2,0,0]=4 2559 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [1,0,0,1,0,0|2,0,0]=4 2560 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [1,0,0,1,0,0|2,0,0]=4 2561 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [1,0,0,1,0,0|2,0,0]=4 2562 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [1,0,0,1,0,0|2,0,0]=4 2563 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [1,0,0,1,0,0|2,0,0]=4 2564 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [1,0,0,1,0,0|1,0,0]=3 2565 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [1,0,0,1,0,0|1,0,0]=3 2566 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [1,0,0,1,0,0|1,0,0]=3 2567 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [1,0,0,1,0,0|0,1,0]=3 2568 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [1,0,0,1,0,0|0,0,0]=2 2569 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [1,0,0,1,0,0|1,1,0]=4 2570 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [1,0,0,1,0,0|1,1,0]=4 2571 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [1,0,0,1,0,0|1,0,0]=3 2572 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [1,0,0,1,0,0|1,0,0]=3 2573 B8R1.7 O=C(O)C1CSSC1 MCULE-8231952386 [1,0,0,1,0,0|1,0,0]=3 2574 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [1,0,0,1,0,0|2,0,0]=4 2575 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [1,0,0,1,0,0|2,0,0]=4 2576 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [1,0,0,1,0,0|2,0,0]=4 2577 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [1,0,0,1,0,0|2,0,0]=4 2578 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [1,0,0,1,0,0|2,0,0]=4 2579 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [1,0,0,1,0,0|2,0,0]=4 2580 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [1,0,0,1,0,0|2,0,0]=4 2581 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [1,0,0,1,0,0|1,0,0]=3 2582 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [1,0,0,1,0,0|1,0,0]=3 2583 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [1,0,0,1,0,0|1,0,0]=3 2584 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [1,0,0,1,0,0|1,0,0]=3 2585 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [1,0,0,1,0,0|0,1,0]=3 2586 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [1,0,0,1,0,0|0,1,0]=3 2587 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [1,0,0,1,0,0|1,1,0]=4 2588 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [1,0,0,1,0,0|1,1,0]=4 2589 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [1,0,0,1,0,0|1,1,0]=4 2590 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [1,0,0,1,0,0|1,1,0]=4 2591 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [1,0,0,1,0,0|1,0,0]=3 2592 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [1,0,0,1,0,0|1,0,0]=3 2593 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [1,0,0,1,0,0|2,0,0]=4 2594 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [1,0,0,1,0,0|2,0,0]=4 2595 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [1,0,0,1,0,0|2,0,0]=4 2596 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [1,0,0,1,0,0|2,0,0]=4 2597 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [1,0,0,1,0,0|1,0,0]=3 2598 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [1,0,0,1,0,0|1,0,0]=3 2599 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [1,0,0,1,0,0|1,0,0]=3 2600 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [1,0,0,1,0,0|1,0,0]=3 2601 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [1,0,0,1,0,0|0,1,0]=3 2602 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [1,0,0,1,0,0|0,1,0]=3 2603 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [1,0,0,1,0,0|1,0,0]=3 2604 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [1,0,0,1,0,0|1,0,0]=3 2605 B8R1.7 O=C([O-])C1CSCN1 MCULE-9836043803 [1,0,0,1,0,0|1,0,1]=4 2606 B8R1.7 [C@@H]1(CSCN1)C(=O)[O-] MCULE-3895380806 [1,0,0,1,0,0|1,0,1]=4 2607 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [1,0,0,1,0,0|1,0,0]=3 2608 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [1,0,0,1,0,0|1,0,0]=3 2609 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [1,0,0,1,0,0|1,0,1]=4 2610 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C MCULE-1543129128 [1,0,0,1,0,0|2,0,0]=4 2611 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [1,0,0,1,0,0|1,0,0]=3 2612 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [1,0,0,1,0,0|2,0,0]=4 2613 B8R1.31 CC1NCC1C(=O)O MCULE-3701314568 [1,0,0,1,0,0|2,0,0]=4 2614 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [1,0,0,1,0,0|1,0,0]=3 2615 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [1,0,0,1,0,0|1,0,0]=3 2616 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [1,0,0,1,0,0|1,0,0]=3 2617 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [1,0,0,1,0,0|1,0,0]=3 2618 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [1,0,0,1,0,0|1,0,0]=3 2619 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [1,0,0,1,0,0|2,0,0]=4 2620 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [1,0,0,1,0,0|2,0,0]=4 2621 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-4996743185 [1,0,0,1,0,0|2,0,0]=4 2622 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-5548697786 [1,0,0,1,0,0|2,0,0]=4 2623 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [1,0,0,1,0,0|2,0,0]=4 2624 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [1,0,0,1,0,0|2,0,0]=4 2625 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [1,0,0,1,0,0|2,0,0]=4 2626 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [1,0,0,1,0,0|2,0,0]=4 2627 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [1,0,0,1,0,0|2,0,0]=4 2628 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [1,0,0,1,0,0|2,0,0]=4 2629 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [1,0,0,1,0,0|2,0,0]=4 2630 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [1,0,0,1,0,0|2,0,0]=4 2631 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [1,0,0,1,0,0|2,0,0]=4 2632 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [1,0,0,1,0,0|2,0,0]=4 2633 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [1,0,0,1,0,0|2,0,0]=4 2634 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [1,0,0,1,0,0|2,0,0]=4 2635 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [1,0,0,1,0,0|2,0,0]=4 2636 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [1,0,0,1,0,0|2,0,0]=4 2637 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [1,0,0,1,0,0|2,0,0]=4 2638 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [1,0,0,1,0,0|2,0,0]=4 2639 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [1,0,0,1,0,0|2,0,0]=4 2640 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [1,0,0,1,0,0|2,0,0]=4 2641 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [1,0,0,1,0,0|2,0,0]=4 2642 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [1,0,0,1,0,0|2,0,0]=4 2643 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [1,0,0,1,0,0|2,0,0]=4 2644 B8R1.34 CC(=O)CC1CCC1 MCULE-8119711389 [1,0,0,1,0,0|2,0,0]=4 2645 B8R1.34 CC(=O)CC1COC1 MCULE-8127220146 [1,0,0,1,0,0|1,1,0]=4 2646 B8R1.34 NC(=O)CC1CNC1 MCULE-3085452095 [1,0,0,1,0,0|2,0,0]=4 2647 B8R1.34 NC(=O)CC1CNC1 MCULE-7868797282 [1,0,0,1,0,0|2,0,0]=4 2648 B8R1.34 O=C(Cl)CC1CCC1 MCULE-4282346796 [1,0,0,1,0,0|2,0,0]=4 2649 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [1,0,0,1,0,0|1,0,0]=3 2650 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [1,0,0,1,0,0|2,0,0]=4 2651 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [1,0,0,1,0,0|2,0,0]=4 2652 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [1,0,0,1,0,0|1,0,0]=3 2653 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [1,0,0,1,0,0|1,0,0]=3 2654 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [1,0,0,1,0,0|1,0,0]=3 2655 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [1,0,0,1,0,0|0,1,0]=3 2656 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [1,0,0,1,0,0|0,0,0]=2 2657 B8R1.34 O=C(O)CN1CCC1 MCULE-2649525817 [1,0,0,1,0,0|2,0,0]=4 2658 B8R1.34 O=C(O)CN1CCC1 MCULE-6889274435 [1,0,0,1,0,0|2,0,0]=4 2659 B8R1.34 O=C([O-])CC1COC1 MCULE-8848528767 [1,0,0,1,0,0|0,1,1]=4 2660 B8R1.35 CC(=O)CCC1CC1 MCULE-1674877061 [1,0,0,1,0,0|2,0,0]=4 2661 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [1,0,0,1,0,0|1,0,0]=3 2662 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [1,0,0,1,0,0|0,1,0]=3 2663 B8R1.35 O=C(O)CCC1N=N1 MCULE-7773347718 [1,0,0,1,0,0|2,0,0]=4 2664 B8R1.35 O=C(O)CNC1CC1 MCULE-7811029224 [1,0,0,1,0,0|2,0,0]=4 2665 B8R1.35 O=C(O)CNC1CC1 MCULE-9104732369 [1,0,0,1,0,0|2,0,0]=4 2666 B8R1.35 O=C(O)COC1CC1 MCULE-2555477617 [1,0,0,1,0,0|2,0,0]=4 2667 B8R1.35 O=C(O)CSC1CC1 MCULE-7890561094 [1,0,0,1,0,0|2,0,0]=4 2668 B8R1.43 C#CC1CC1C(=O)O MCULE-3287712150 [1,0,0,1,0,0|1,0,1]=4 2669 B8R1.43 C#C[C@@H]1C[C@H]1C(=O)O MCULE-3682886945 [1,0,0,1,0,0|1,0,1]=4 2670 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-7332146893 [1,0,0,1,0,0|1,0,1]=4 2671 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-8247580113 [1,0,0,1,0,0|1,0,1]=4 2672 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O MCULE-7681925135 [1,0,0,1,0,0|1,0,1]=4 2673 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O MCULE-6323262453 [1,0,0,1,0,0|1,0,1]=4 2674 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O MCULE-6983531899 [1,0,0,1,0,0|1,0,1]=4 2675 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [1,0,0,1,0,0|1,0,0]=3 2676 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [1,0,0,1,0,0|1,0,0]=3 2677 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [1,0,0,1,0,0|0,1,0]=3 2678 B8R1.43 N#CC1CC1C(=O)O MCULE-9124706645 [1,0,0,1,0,0|2,0,0]=4 2679 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-5445653149 [1,0,0,1,0,0|2,0,0]=4 2680 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-6130530861 [1,0,0,1,0,0|2,0,0]=4 2681 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-3330628556 [1,0,0,1,0,0|2,0,0]=4 2682 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-6684718700 [1,0,0,1,0,0|2,0,0]=4 2683 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [1,0,0,1,0,0|2,0,0]=4 2684 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [1,0,0,1,0,0|2,0,0]=4 2685 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [1,0,0,1,0,0|2,0,0]=4 2686 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [1,0,0,1,0,0|2,0,0]=4 2687 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [1,0,0,1,0,0|2,0,0]=4 2688 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [1,0,0,1,0,0|2,0,0]=4 2689 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [1,0,0,1,0,0|2,0,0]=4 2690 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [1,0,0,1,0,0|2,0,0]=4 2691 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [1,0,0,1,0,0|2,0,0]=4 2692 B8R1.43 [C@@H]1(C[C@H]1C(=O)O)C#N MCULE-9124193326 [1,0,0,1,0,0|2,0,0]=4 2693 B8R1.43 [C@H]1(C[C@H]1C(=O)O)C#N MCULE-3751215343 [1,0,0,1,0,0|2,0,0]=4 2694 B8R1.18 C=C1CC(OC1=O)C MCULE-4610228867 [1,0,0,1,0,0|1,0,1]=4 2695 B8R1.18 CC1CC(C(=O)O1)Br MCULE-3628819780 [1,0,0,1,0,0|1,0,0]=3 2696 B8R1.18 CC1CC(C(=O)O1)N MCULE-4414809681 [1,0,0,1,0,0|1,0,0]=3 2697 B8R1.18 CC1CC(C(=O)O1)N MCULE-7247771680 [1,0,0,1,0,0|1,0,0]=3 2698 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [1,0,0,1,0,0|1,0,0]=3 2699 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [1,0,0,1,0,0|1,0,0]=3 2700 B8R1.23 CN1CC(C1)C(=O)O MCULE-8825389553 [1,0,0,1,0,0|2,0,0]=4 2701 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [1,0,0,1,0,0|1,0,0]=3 2702 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [1,0,0,1,0,0|1,0,0]=3 2703 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [1,0,0,1,0,0|1,0,0]=3 2704 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [1,0,0,1,0,0|1,0,0]=3 2705 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [1,0,0,1,0,0|2,0,0]=4 2706 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [1,0,0,1,0,0|2,0,0]=4 2707 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [1,0,0,1,0,0|2,0,0]=4 2708 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [1,0,0,1,0,0|2,0,0]=4 2709 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [1,0,0,1,0,0|2,0,0]=4 2710 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [1,0,0,1,0,0|2,0,0]=4 2711 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [1,0,0,1,0,0|2,0,0]=4 2712 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [1,0,0,1,0,0|2,0,0]=4 2713 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [1,0,0,1,0,0|2,0,0]=4 2714 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [1,0,0,1,0,0|1,1,0]=4 2715 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [1,0,0,1,0,0|2,0,0]=4 2716 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [1,0,0,1,0,0|2,0,0]=4 2717 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [1,0,0,1,0,0|1,1,0]=4 2718 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [1,0,0,1,0,0|2,0,0]=4 2719 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [1,0,0,1,0,0|2,0,0]=4 2720 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [1,0,0,1,0,0|1,1,0]=4 2721 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [1,0,0,1,0,0|0,1,1]=4 2722 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [1,0,0,1,0,0|2,0,0]=4 2723 B8R1.30 CC1(CC1Br)C(=O)O MCULE-8673991477 [1,0,0,1,0,0|2,0,0]=4 2724 B8R1.30 CC1(CC1F)C(=O)O MCULE-8465675013 [1,0,0,1,0,0|2,0,0]=4 2725 B8R1.30 CC1CC1(C)C(=O)O MCULE-8330983425 [1,0,0,1,0,0|1,0,0]=3 2726 B8R1.30 C[C@@]1(C[C@@H]1Br)C(=O)O MCULE-1474744945 [1,0,0,1,0,0|2,0,0]=4 2727 B8R1.30 C[C@]1(C[C@@H]1F)C(=O)O MCULE-3210206701 [1,0,0,1,0,0|2,0,0]=4 2728 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-6362421682 [1,0,0,1,0,0|2,0,0]=4 2729 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-9963754001 [1,0,0,1,0,0|2,0,0]=4 2730 B8R1.54 C(N)(C(=O)O)C1CC1 MCULE-4833544032 [1,0,0,1,0,0|1,0,0]=3 2731 B8R1.54 C=C(C(=O)O)C1CC1 MCULE-9531805422 [1,0,0,1,0,0|1,0,1]=4 2732 B8R1.54 CC(=O)C(C)C1CC1 MCULE-9797389889 [1,0,0,1,0,0|2,0,0]=4 2733 B8R1.54 CC(C(=O)O)C1CC1 MCULE-9343385076 [1,0,0,1,0,0|1,0,0]=3 2734 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5863587661 [1,0,0,1,0,0|2,0,0]=4 2735 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5987826744 [1,0,0,1,0,0|2,0,0]=4 2736 B8R1.54 NC(=O)C(O)C1CC1 MCULE-4055290448 [1,0,0,1,0,0|1,0,0]=3 2737 B8R1.54 NC(C(=O)O)C1CC1 MCULE-1974514713 [1,0,0,1,0,0|1,0,0]=3 2738 B8R1.54 NC(C(=O)O)C1CC1 MCULE-3126466096 [1,0,0,1,0,0|1,0,0]=3 2739 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-5662004537 [1,0,0,1,0,0|1,0,0]=3 2740 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-9004548949 [1,0,0,1,0,0|1,0,0]=3 2741 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-4323013494 [1,0,0,1,0,0|1,0,0]=3 2742 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-9475774396 [1,0,0,1,0,0|1,0,0]=3 2743 B8R1.54 O=C(O)C(=O)C1CC1 MCULE-2935818452 [1,0,0,1,0,0|0,0,2]=4 2744 B8R1.54 O=C(O)C(F)C1CC1 MCULE-4799246955 [1,0,0,1,0,0|1,0,0]=3 2745 B8R1.54 O=C(O)C(O)C1CC1 MCULE-9945035089 [1,0,0,1,0,0|0,0,0]=2 2746 B8R1.54 O=C(O)[C@@H](O)C1CC1 MCULE-2409990996 [1,0,0,1,0,0|0,0,0]=2 2747 B8R1.54 O=C(O)[C@H](O)C1CC1 MCULE-2255829314 [1,0,0,1,0,0|0,0,0]=2 2748 B8R1.78 CC(=O)C1(CCC1)C MCULE-7668067765 [1,0,0,1,0,0|2,0,0]=4 2749 B8R1.78 CC(=O)C1(CCC1)O MCULE-9112690180 [1,0,0,1,0,0|1,0,0]=3 2750 B8R1.78 CC1(CCC1)C(=O)Cl MCULE-4438397604 [1,0,0,1,0,0|2,0,0]=4 2751 B8R1.78 CC1(CCC1)C(=O)O MCULE-8539228760 [1,0,0,1,0,0|1,0,0]=3 2752 B8R1.78 CC1(CCO1)C(=O)O MCULE-3206195959 [1,0,0,1,0,0|1,1,0]=4 2753 B8R1.78 CC1(CNC1)C(=O)O MCULE-3626067455 [1,0,0,1,0,0|2,0,0]=4 2754 B8R1.78 CC1(CNC1)C(=O)O MCULE-7316902394 [1,0,0,1,0,0|2,0,0]=4 2755 B8R1.78 CC1(COC1)C(=O)O MCULE-6360656030 [1,0,0,1,0,0|1,1,0]=4 2756 B8R1.78 C[C@@]1(CCO1)C(=O)O MCULE-1153504060 [1,0,0,1,0,0|1,1,0]=4 2757 B8R1.78 NC(=O)C1(CCC1)Br MCULE-3386940591 [1,0,0,1,0,0|2,0,0]=4 2758 B8R1.78 NC(=O)C1(CCC1)N MCULE-1043802844 [1,0,0,1,0,0|2,0,0]=4 2759 B8R1.78 NC(=O)C1(CCC1)N MCULE-8757108427 [1,0,0,1,0,0|2,0,0]=4 2760 B8R1.78 NC(=O)C1(CCC1)O MCULE-9017924933 [1,0,0,1,0,0|1,0,0]=3 2761 B8R1.78 NC(=O)C1(CNC1)O MCULE-4705401931 [1,0,0,1,0,0|2,0,0]=4 2762 B8R1.78 NC(=O)C1(CNC1)O MCULE-6961987506 [1,0,0,1,0,0|2,0,0]=4 2763 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-4330568570 [1,0,0,1,0,0|2,0,0]=4 2764 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-9506658674 [1,0,0,1,0,0|2,0,0]=4 2765 B8R1.78 NC1(CCC1)C(=O)O MCULE-7741753062 [1,0,0,1,0,0|1,0,0]=3 2766 B8R1.78 NC1(CCC1)C(=O)O MCULE-8986168461 [1,0,0,1,0,0|1,0,0]=3 2767 B8R1.78 NC1(CNC1)C(=O)O MCULE-1078717796 [1,0,0,1,0,0|2,0,0]=4 2768 B8R1.78 NC1(CNC1)C(=O)O MCULE-1597584418 [1,0,0,1,0,0|2,0,0]=4 2769 B8R1.78 NC1(COC1)C(=O)O MCULE-2048452241 [1,0,0,1,0,0|1,1,0]=4 2770 B8R1.78 NC1(CSC1)C(=O)O MCULE-3865165435 [1,0,0,1,0,0|1,0,0]=3 2771 B8R1.78 NC1(CSC1)C(=O)O MCULE-7335919130 [1,0,0,1,0,0|1,0,0]=3 2772 B8R1.78 O=C(O)C1(CCC1)Br MCULE-2468093858 [1,0,0,1,0,0|1,0,0]=3 2773 B8R1.78 O=C(O)C1(CCC1)F MCULE-5784376163 [1,0,0,1,0,0|1,0,0]=3 2774 B8R1.78 O=C(O)C1(CCC1)O MCULE-3418659917 [1,0,0,1,0,0|0,0,0]=2 2775 B8R1.78 O=C(O)C1(CNC1)F MCULE-7253312158 [1,0,0,1,0,0|2,0,0]=4 2776 B8R1.78 O=C(O)C1(CNC1)O MCULE-3436636334 [1,0,0,1,0,0|1,0,0]=3 2777 B8R1.78 O=C(O)C1(CNC1)O MCULE-4261639250 [1,0,0,1,0,0|1,0,0]=3 2778 B8R1.78 O=C(O)C1(COC1)O MCULE-7009915692 [1,0,0,1,0,0|0,1,0]=3 2779 B10R1.16 CCCCC1COC(=O)N1 MCULE-7413985675 [0,0,0,1,0,1|2,0,0]=4 2780 B10R1.18 CC(=O)CC1CCCCO1 MCULE-1058487646 [0,0,0,1,0,1|2,0,0]=4 2781 B10R1.18 O=C(O)C=C1CCSCC1 MCULE-3222993494 [0,0,0,1,0,1|1,0,1]=4 2782 B10R1.18 O=C(O)CC1CCCCC1 MCULE-3370925166 [0,0,0,1,0,1|2,0,0]=4 2783 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7593127940 [0,0,0,1,0,1|2,0,0]=4 2784 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7653711252 [0,0,0,1,0,1|2,0,0]=4 2785 B10R1.18 O=C(O)CC1CCCCO1 MCULE-2711682647 [0,0,0,1,0,1|1,0,0]=3 2786 B10R1.18 O=C(O)CC1CCNCC1 MCULE-1130327966 [0,0,0,1,0,1|2,0,0]=4 2787 B10R1.18 O=C(O)CC1CCNCC1 MCULE-2100213856 [0,0,0,1,0,1|2,0,0]=4 2788 B10R1.18 O=C(O)CC1CCOCC1 MCULE-7878329119 [0,0,0,1,0,1|1,1,0]=4 2789 B10R1.18 O=C(O)CC1CCSCC1 MCULE-3567762107 [0,0,0,1,0,1|1,0,0]=3 2790 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3058504133 [0,0,0,1,0,1|2,0,0]=4 2791 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3387061328 [0,0,0,1,0,1|2,0,0]=4 2792 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4327756750 [0,0,0,1,0,1|2,0,0]=4 2793 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4883251317 [0,0,0,1,0,1|2,0,0]=4 2794 B10R1.18 O=C(O)CC1COCCO1 MCULE-8632741098 [0,0,0,1,0,1|2,0,0]=4 2795 B10R1.18 O=C(O)CC1OCCCO1 MCULE-1471723881 [0,0,0,1,0,1|2,0,0]=4 2796 B10R1.18 O=C(O)CN1CCSCC1 MCULE-9107067895 [0,0,0,1,0,1|2,0,0]=4 2797 B10R1.18 O=C(O)CN1CCSCC1 MCULE-9299535292 [0,0,0,1,0,1|2,0,0]=4 2798 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-3905830299 [0,0,0,1,0,1|2,0,0]=4 2799 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-5277218457 [0,0,0,1,0,1|2,0,0]=4 2800 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-7510387772 [0,0,0,1,0,1|2,0,0]=4 2801 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4498530905 [0,0,0,1,0,1|2,0,0]=4 2802 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4549445854 [0,0,0,1,0,1|2,0,0]=4 2803 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-5055136882 [0,0,0,1,0,1|2,0,0]=4 2804 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-7244079860 [0,0,0,1,0,1|2,0,0]=4 2805 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-3680996115 [0,0,0,1,0,1|2,0,0]=4 2806 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-4674662417 [0,0,0,1,0,1|2,0,0]=4 2807 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-1832902178 [0,0,0,1,0,1|2,0,0]=4 2808 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5015018730 [0,0,0,1,0,1|2,0,0]=4 2809 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5838446318 [0,0,0,1,0,1|2,0,0]=4 2810 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-9119322865 [0,0,0,1,0,1|2,0,0]=4 2811 B10R1.18 O=C(O)NC1CCCCC1 MCULE-5645794848 [0,0,0,1,0,1|2,0,0]=4 2812 B10R1.54 CC1CCC(C1)CC(=O)O MCULE-2712956835 [0,0,0,1,0,1|2,0,0]=4 2813 B10R1.54 CC1CCC(O1)CC(=O)O MCULE-8857014749 [0,0,0,1,0,1|1,0,0]=3 2814 B10R1.54 CN1CCC(C1)CC(=O)O MCULE-6518175603 [0,0,0,1,0,1|2,0,0]=4 2815 B10R1.54 CN1CCC(C1)CC(=O)O MCULE-7858558191 [0,0,0,1,0,1|2,0,0]=4 2816 B10R1.54 O=C(O)CC1CCC(=O)O1 MCULE-3722776234 [0,0,0,1,0,1|2,0,0]=4 2817 B10R1.61 CC1CCCCC1C(=O)O MCULE-3305682191 [0,0,0,1,0,1|2,0,0]=4 2818 B10R1.61 CC1CCNCC1C(=O)O MCULE-8748624987 [0,0,0,1,0,1|2,0,0]=4 2819 B10R1.61 CC1CCNCC1C(=O)O MCULE-9934986088 [0,0,0,1,0,1|2,0,0]=4 2820 B10R1.61 NC1CCCCC1C(=O)O MCULE-4736252154 [0,0,0,1,0,1|2,0,0]=4 2821 B10R1.61 NC1CCCCC1C(=O)O MCULE-6203238767 [0,0,0,1,0,1|2,0,0]=4 2822 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-1790728170 [0,0,0,1,0,1|2,0,0]=4 2823 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-3150171920 [0,0,0,1,0,1|2,0,0]=4 2824 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-4600025587 [0,0,0,1,0,1|2,0,0]=4 2825 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-9708582870 [0,0,0,1,0,1|2,0,0]=4 2826 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-3088249896 [0,0,0,1,0,1|2,0,0]=4 2827 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-4663931442 [0,0,0,1,0,1|2,0,0]=4 2828 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-6017464144 [0,0,0,1,0,1|2,0,0]=4 2829 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-9507759371 [0,0,0,1,0,1|2,0,0]=4 2830 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-2040720562 [0,0,0,1,0,1|2,0,0]=4 2831 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-5411687824 [0,0,0,1,0,1|2,0,0]=4 2832 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-6353451287 [0,0,0,1,0,1|2,0,0]=4 2833 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-9744443114 [0,0,0,1,0,1|2,0,0]=4 2834 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-1070315128 [0,0,0,1,0,1|2,0,0]=4 2835 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-2665445473 [0,0,0,1,0,1|2,0,0]=4 2836 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-5776301031 [0,0,0,1,0,1|2,0,0]=4 2837 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-7183400727 [0,0,0,1,0,1|2,0,0]=4 2838 B10R1.61 O=C(O)C1CCCCC1F MCULE-9495362772 [0,0,0,1,0,1|2,0,0]=4 2839 B10R1.61 O=C(O)C1CCCCC1O MCULE-4502285714 [0,0,0,1,0,1|1,0,0]=3 2840 B10R1.61 O=C(O)C1CCCCN1O MCULE-1338694603 [0,0,0,1,0,1|2,0,0]=4 2841 B10R1.61 O=C(O)C1NCCCC1O MCULE-2981139992 [0,0,0,1,0,1|2,0,0]=4 2842 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O MCULE-2224593354 [0,0,0,1,0,1|2,0,0]=4 2843 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O MCULE-3743184576 [0,0,0,1,0,1|2,0,0]=4 2844 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-2137327596 [0,0,0,1,0,1|2,0,0]=4 2845 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-3028221093 [0,0,0,1,0,1|2,0,0]=4 2846 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-3468221525 [0,0,0,1,0,1|2,0,0]=4 2847 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-5449397815 [0,0,0,1,0,1|2,0,0]=4 2848 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-2786788134 [0,0,0,1,0,1|2,0,0]=4 2849 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-3262303247 [0,0,0,1,0,1|2,0,0]=4 2850 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-4026886814 [0,0,0,1,0,1|2,0,0]=4 2851 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-4165843552 [0,0,0,1,0,1|2,0,0]=4 2852 B10R1.144 CCCCC1CC1C(=O)O MCULE-5737299312 [0,0,0,1,0,1|2,0,0]=4 2853 B10R1.266 CC(CC(=O)O)C1CCC1 MCULE-6722364184 [0,0,0,1,0,1|2,0,0]=4 2854 B10R1.266 NC(CC(=O)O)C1CCC1 MCULE-2395479190 [0,0,0,1,0,1|2,0,0]=4 2855 B10R1.266 NC(CC(=O)O)C1CCC1 MCULE-6970002304 [0,0,0,1,0,1|2,0,0]=4 2856 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 MCULE-5065468951 [0,0,0,1,0,1|2,0,0]=4 2857 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 MCULE-5782293460 [0,0,0,1,0,1|2,0,0]=4 2858 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 MCULE-7296271886 [0,0,0,1,0,1|2,0,0]=4 2859 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 MCULE-8027827308 [0,0,0,1,0,1|2,0,0]=4 2860 B10R1.370 CC1(CCCC1)CC(=O)O MCULE-4967984413 [0,0,0,1,0,1|2,0,0]=4 2861 B10R1.370 NC1(CCCC1)CC(=O)O MCULE-5280016961 [0,0,0,1,0,1|2,0,0]=4 2862 B10R1.370 NC1(CCCC1)CC(=O)O MCULE-8706705761 [0,0,0,1,0,1|2,0,0]=4 2863 B10R1.370 NC1(CCSC1)CC(=O)O MCULE-1913904908 [0,0,0,1,0,1|1,0,0]=3 2864 B10R1.370 O=C(O)CC1(CCCC1)O MCULE-7504539994 [0,0,0,1,0,1|1,0,0]=3 2865 B10R1.370 O=C(O)CC1(CCOC1)O MCULE-7553623965 [0,0,0,1,0,1|0,1,0]=3 2866 B10R1.23 CC(C(=O)O)C1CCCC1 MCULE-5802736245 [0,1,0,1,0,0|2,0,0]=4 2867 B10R1.23 CC(C(=O)O)C1CCCO1 MCULE-7845267101 [0,1,0,1,0,0|2,0,0]=4 2868 B10R1.23 CC(C(=O)O)C1CCOC1 MCULE-7866218529 [0,1,0,1,0,0|1,1,0]=4 2869 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-1089880160 [0,1,0,1,0,0|2,0,0]=4 2870 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-6643699902 [0,1,0,1,0,0|2,0,0]=4 2871 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-9316791928 [0,1,0,1,0,0|2,0,0]=4 2872 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 MCULE-3614375066 [0,1,0,1,0,0|2,0,0]=4 2873 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 MCULE-3855579270 [0,1,0,1,0,0|2,0,0]=4 2874 B10R1.23 C[C@H](C(=O)O)N1CCCC1 MCULE-8338161515 [0,1,0,1,0,0|2,0,0]=4 2875 B10R1.23 C[C@H](C(=O)O)N1CCCC1 MCULE-8839356147 [0,1,0,1,0,0|2,0,0]=4 2876 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-7146175523 [0,1,0,1,0,0|2,0,0]=4 2877 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-7746486136 [0,1,0,1,0,0|2,0,0]=4 2878 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-9888348666 [0,1,0,1,0,0|2,0,0]=4 2879 B10R1.23 NC(C(=O)O)C1CCCO1 MCULE-3670924700 [0,1,0,1,0,0|2,0,0]=4 2880 B10R1.23 NC(C(=O)O)C1CCNC1 MCULE-1642984994 [0,1,0,1,0,0|2,0,0]=4 2881 B10R1.23 NC(C(=O)O)C1CCNC1 MCULE-8012924580 [0,1,0,1,0,0|2,0,0]=4 2882 B10R1.23 NC(C(=O)O)C1CCOC1 MCULE-9063647673 [0,1,0,1,0,0|1,1,0]=4 2883 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 MCULE-2078695461 [0,1,0,1,0,0|2,0,0]=4 2884 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 MCULE-7548517913 [0,1,0,1,0,0|2,0,0]=4 2885 B10R1.23 N[C@H](C(=O)O)C1CCCC1 MCULE-1391706498 [0,1,0,1,0,0|2,0,0]=4 2886 B10R1.23 N[C@H](C(=O)O)C1CCCC1 MCULE-5447481000 [0,1,0,1,0,0|2,0,0]=4 2887 B10R1.23 O=C(O)C(Br)C1CCCC1 MCULE-1051918450 [0,1,0,1,0,0|2,0,0]=4 2888 B10R1.23 O=C(O)C(F)C1CCCC1 MCULE-8637303916 [0,1,0,1,0,0|2,0,0]=4 2889 B10R1.23 O=C(O)C(F)C1CCOC1 MCULE-4380204267 [0,1,0,1,0,0|1,1,0]=4 2890 B10R1.23 O=C(O)C(O)C1CCCC1 MCULE-1471598195 [0,1,0,1,0,0|1,0,0]=3 2891 B10R1.23 O=C(O)C(O)C1CCNC1 MCULE-8304713060 [0,1,0,1,0,0|1,0,0]=3 2892 B10R1.23 O=C(O)[C@@H](Br)C1CCCC1 MCULE-6560406332 [0,1,0,1,0,0|2,0,0]=4 2893 B10R1.23 O=C(O)[C@H](O)C1CCCC1 MCULE-1883242923 [0,1,0,1,0,0|1,0,0]=3 2894 B10R1.34 C=C1O[C@H]([C@@H]([C@@H]1O)O)OC MCULE-9037136761 [0,1,0,1,0,0|1,1,0]=4 2895 B10R1.34 O=C1OC(C(C1O)O)CO MCULE-4992937478 [0,1,0,1,0,0|2,0,0]=4 2896 B10R1.34 O=C1O[C@@H]([C@@H]([C@@H]1O)O)CO MCULE-4238222743 [0,1,0,1,0,0|2,0,0]=4 2897 B10R1.34 O=C1O[C@@H]([C@@H]([C@@H]1O)O)CO MCULE-8746085882 [0,1,0,1,0,0|2,0,0]=4 2898 B10R1.34 O=C1O[C@@H]([C@@H]([C@H]1O)O)CO MCULE-1302555586 [0,1,0,1,0,0|2,0,0]=4 2899 B10R1.34 O=C1O[C@@H]([C@@H]([C@H]1O)O)CO MCULE-6947519194 [0,1,0,1,0,0|2,0,0]=4 2900 B10R1.34 O=C1O[C@@H]([C@H]([C@@H]1O)O)CO MCULE-3419728176 [0,1,0,1,0,0|2,0,0]=4 2901 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO MCULE-1946078293 [0,1,0,1,0,0|2,0,0]=4 2902 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO MCULE-4119913524 [0,1,0,1,0,0|2,0,0]=4 2903 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO MCULE-7655191062 [0,1,0,1,0,0|2,0,0]=4 2904 B10R1.34 O=C1O[C@H]([C@@H]([C@@H]1O)O)CO MCULE-9668504351 [0,1,0,1,0,0|2,0,0]=4 2905 B10R1.34 O=C1O[C@H]([C@@H]([C@H]1O)O)CO MCULE-2196473829 [0,1,0,1,0,0|2,0,0]=4 2906 B10R1.34 O=C1O[C@H]([C@@H]([C@H]1O)O)CO MCULE-2293188422 [0,1,0,1,0,0|2,0,0]=4 2907 B10R1.34 O=C1O[C@H]([C@H]([C@H]1O)O)CO MCULE-7094668506 [0,1,0,1,0,0|2,0,0]=4 2908 B10R1.34 O=C1O[C@H]([C@H]([C@H]1O)O)CO MCULE-8957458384 [0,1,0,1,0,0|2,0,0]=4 2909 B10R1.59 CC1CC(C(O1)C(=O)O)C MCULE-6609295709 [0,1,0,1,0,0|1,0,0]=3 2910 B10R1.278 CC(C1CC1)C(N)C(=O)O MCULE-4997364057 [0,1,0,1,0,0|2,0,0]=4 2911 B10R1.278 CC(C1CC1)C(N)C(=O)O MCULE-9996915560 [0,1,0,1,0,0|2,0,0]=4 2912 B10R1.291 CC1CCCC1(C)C(=O)O MCULE-3149463709 [0,1,0,1,0,0|2,0,0]=4 2913 B10R1.291 CC1OCCC1(C)C(=O)O MCULE-4774939870 [0,1,0,1,0,0|1,1,0]=4 2914 B10R1.291 CN1CCCC1(C)C(=O)O MCULE-3073966944 [0,1,0,1,0,0|2,0,0]=4 2915 B10R1.291 CN1CCC[C@@]1(C)C(=O)O MCULE-3527940712 [0,1,0,1,0,0|2,0,0]=4 2916 B10R1.291 CN1CCC[C@]1(C)C(=O)O MCULE-2144267845 [0,1,0,1,0,0|2,0,0]=4 2917 B10R1.291 C[C@]1(CCC[C@@H]1N)C(=O)O MCULE-2571628010 [0,1,0,1,0,0|2,0,0]=4 2918 B10R1.291 C[C@]1(CCC[C@@H]1N)C(=O)O MCULE-3056122824 [0,1,0,1,0,0|2,0,0]=4 2919 B10R1.495 CC(C(=O)O)C1(CCC1)O MCULE-2874864037 [0,1,0,1,0,0|2,0,0]=4 2920 B10R1.495 CC1(COC1)C(N)C(=O)O MCULE-3054998452 [0,1,0,1,0,0|1,1,0]=4 2921 B10R1.495 CC1(COC1)[C@H](N)C(=O)O MCULE-3689733091 [0,1,0,1,0,0|1,1,0]=4 2922 B10R1.495 O=C(O)C(O)C1(CCC1)O MCULE-5858632598 [0,1,0,1,0,0|1,0,0]=3 2923 B10R1.13 C=C1CCC(CC1)C(=O)O MCULE-9520777832 [0,1,0,1,0,0|2,0,0]=4 2924 B10R1.13 CC1=CCC(CC1)C(=O)O MCULE-8997751425 [0,1,0,1,0,0|2,0,0]=4 2925 B10R1.13 CC1CCC(CC1)C(=O)O MCULE-3225182334 [0,1,0,1,0,0|2,0,0]=4 2926 B10R1.13 CC1CCC(CN1)C(=O)O MCULE-3840727873 [0,1,0,1,0,0|2,0,0]=4 2927 B10R1.13 CC1CCC(CN1)C(=O)O MCULE-5946890830 [0,1,0,1,0,0|2,0,0]=4 2928 B10R1.13 CC1CCC(CO1)C(=O)O MCULE-6526905782 [0,1,0,1,0,0|1,0,0]=3 2929 B10R1.13 CC1CCC(NC1)C(=O)O MCULE-2912599846 [0,1,0,1,0,0|2,0,0]=4 2930 B10R1.13 CC1CCC(NC1)C(=O)O MCULE-3297162881 [0,1,0,1,0,0|2,0,0]=4 2931 B10R1.13 CC1COC(CN1)C(=O)O MCULE-7809709557 [0,1,0,1,0,0|2,0,0]=4 2932 B10R1.13 CN1CCC(CC1)C(=O)O MCULE-1330176845 [0,1,0,1,0,0|2,0,0]=4 2933 B10R1.13 CN1CCC(CC1)C(=O)O MCULE-2860414660 [0,1,0,1,0,0|2,0,0]=4 2934 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O MCULE-8843664488 [0,1,0,1,0,0|2,0,0]=4 2935 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-2204464981 [0,1,0,1,0,0|2,0,0]=4 2936 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-2225073323 [0,1,0,1,0,0|2,0,0]=4 2937 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-3036379148 [0,1,0,1,0,0|2,0,0]=4 2938 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-9649426657 [0,1,0,1,0,0|2,0,0]=4 2939 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O MCULE-8093925660 [0,1,0,1,0,0|2,0,0]=4 2940 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O MCULE-9603514021 [0,1,0,1,0,0|2,0,0]=4 2941 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O MCULE-3272652270 [0,1,0,1,0,0|2,0,0]=4 2942 B10R1.13 C[C@H]1CC[C@@H](CN1)C(=O)O MCULE-6340569413 [0,1,0,1,0,0|2,0,0]=4 2943 B10R1.13 C[C@H]1CC[C@H](CC1)C(=O)O MCULE-7434442752 [0,1,0,1,0,0|2,0,0]=4 2944 B10R1.13 C[C@H]1CC[C@H](CN1)C(=O)O MCULE-3955685184 [0,1,0,1,0,0|2,0,0]=4 2945 B10R1.13 C[C@H]1CN[C@@H](CO1)C(=O)O MCULE-4706739993 [0,1,0,1,0,0|2,0,0]=4 2946 B10R1.13 C[C@H]1CN[C@@H](CO1)C(=O)O MCULE-9210189761 [0,1,0,1,0,0|2,0,0]=4 2947 B10R1.13 NC(=O)C1CCC(CO1)N MCULE-1702911232 [0,1,0,1,0,0|2,0,0]=4 2948 B10R1.13 NC(=O)C1CCC(CO1)N MCULE-9609134356 [0,1,0,1,0,0|2,0,0]=4 2949 B10R1.13 NC(=O)[C@@H]1CC[C@H](CO1)N MCULE-1123100792 [0,1,0,1,0,0|2,0,0]=4 2950 B10R1.13 NC(=O)[C@@H]1CC[C@H](CO1)N MCULE-1890273222 [0,1,0,1,0,0|2,0,0]=4 2951 B10R1.13 NC(=O)[C@@H]1CC[C@H](CO1)N MCULE-3122399272 [0,1,0,1,0,0|2,0,0]=4 2952 B10R1.13 NC(=O)[C@@H]1CC[C@H](CO1)N MCULE-5583780093 [0,1,0,1,0,0|2,0,0]=4 2953 B10R1.13 NC1CCC(CC1)C(=O)O MCULE-6722954971 [0,1,0,1,0,0|2,0,0]=4 2954 B10R1.13 NC1CCC(CC1)C(=O)O MCULE-9273524734 [0,1,0,1,0,0|2,0,0]=4 2955 B10R1.13 N[C@H]1CC[C@@H](CC1)C(=O)O MCULE-5282665037 [0,1,0,1,0,0|2,0,0]=4 2956 B10R1.13 N[C@H]1CC[C@@H](CC1)C(=O)O MCULE-8647828626 [0,1,0,1,0,0|2,0,0]=4 2957 B10R1.13 N[C@H]1CC[C@H](CC1)C(=O)O MCULE-1388612667 [0,1,0,1,0,0|2,0,0]=4 2958 B10R1.13 N[C@H]1CC[C@H](CC1)C(=O)O MCULE-8724032546 [0,1,0,1,0,0|2,0,0]=4 2959 B10R1.13 O=C(O)C1CCC(CC1)Br MCULE-4952970959 [0,1,0,1,0,0|2,0,0]=4 2960 B10R1.13 O=C(O)C1CCC(CC1)Cl MCULE-9596975674 [0,1,0,1,0,0|2,0,0]=4 2961 B10R1.13 O=C(O)C1CCC(CC1)F MCULE-8237318279 [0,1,0,1,0,0|2,0,0]=4 2962 B10R1.13 O=C(O)C1CCC(CC1)O MCULE-2480420127 [0,1,0,1,0,0|2,0,0]=4 2963 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-3204705068 [0,1,0,1,0,0|2,0,0]=4 2964 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-7178398033 [0,1,0,1,0,0|2,0,0]=4 2965 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1384355113 [0,1,0,1,0,0|2,0,0]=4 2966 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1678351091 [0,1,0,1,0,0|2,0,0]=4 2967 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-5287470680 [0,1,0,1,0,0|2,0,0]=4 2968 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-7907264464 [0,1,0,1,0,0|2,0,0]=4 2969 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-2425882122 [0,1,0,1,0,0|2,0,0]=4 2970 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3071319870 [0,1,0,1,0,0|2,0,0]=4 2971 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3130571634 [0,1,0,1,0,0|2,0,0]=4 2972 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-4156067811 [0,1,0,1,0,0|2,0,0]=4 2973 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-6185299507 [0,1,0,1,0,0|2,0,0]=4 2974 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-8875046289 [0,1,0,1,0,0|2,0,0]=4 2975 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)F MCULE-9036564869 [0,1,0,1,0,0|2,0,0]=4 2976 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O MCULE-6625595981 [0,1,0,1,0,0|2,0,0]=4 2977 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-2267551829 [0,1,0,1,0,0|2,0,0]=4 2978 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7339394632 [0,1,0,1,0,0|2,0,0]=4 2979 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7777420620 [0,1,0,1,0,0|2,0,0]=4 2980 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-9629486094 [0,1,0,1,0,0|2,0,0]=4 2981 B10R1.13 O=C(O)[C@H]1CC[C@H](CC1)F MCULE-1112147502 [0,1,0,1,0,0|2,0,0]=4 2982 B10R1.13 O=C(O)[C@H]1CC[C@H](CC1)O MCULE-5519058025 [0,1,0,1,0,0|2,0,0]=4 2983 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-3991583469 [0,1,0,1,0,0|2,0,0]=4 2984 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8329848691 [0,1,0,1,0,0|2,0,0]=4 2985 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8730600296 [0,1,0,1,0,0|2,0,0]=4 2986 B10R1.13 O=C1CCC(CC1)C(=O)O MCULE-3268045048 [0,1,0,1,0,0|2,0,0]=4 2987 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-4067834062 [0,1,0,1,0,0|2,0,0]=4 2988 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-8147757527 [0,1,0,1,0,0|2,0,0]=4 2989 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-4350301488 [0,1,0,1,0,0|2,0,0]=4 2990 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-6122427477 [0,1,0,1,0,0|2,0,0]=4 2991 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-7864506900 [0,1,0,1,0,0|2,0,0]=4 2992 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-8690683788 [0,1,0,1,0,0|2,0,0]=4 2993 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-2845724258 [0,1,0,1,0,0|2,0,0]=4 2994 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-4534690891 [0,1,0,1,0,0|2,0,0]=4 2995 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-5755683417 [0,1,0,1,0,0|2,0,0]=4 2996 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-6015971784 [0,1,0,1,0,0|2,0,0]=4 2997 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1423621462 [0,1,0,1,0,0|2,0,0]=4 2998 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1814136074 [0,1,0,1,0,0|2,0,0]=4 2999 B10R1.205 CC(OCC1CC1)C(=O)O MCULE-4908101296 [0,1,0,1,0,0|2,0,0]=4 3000 B10R1.349 CC(C)C1CC(C1)C(=O)O MCULE-3470675948 [0,1,0,1,0,0|2,0,0]=4 3001 B10R1.349 CN(C)C1CC(C1)C(=O)O MCULE-8370975615 [0,1,0,1,0,0|2,0,0]=4 3002 B10R1.349 CN(C)[C@H]1C[C@@H](C1)C(=O)O MCULE-8405364693 [0,1,0,1,0,0|2,0,0]=4 3003 B10R1.349 CN(C)[C@H]1C[C@H](C1)C(=O)O MCULE-8397295633 [0,1,0,1,0,0|2,0,0]=4 3004 B10R1.359 CC1(CCC(C1)C(=O)O)C MCULE-9978136872 [0,1,0,1,0,0|2,0,0]=4 3005 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5310172848 [0,1,0,1,0,0|2,0,0]=4 3006 B10R1.359 CC1(CCC(N1)C(=O)O)C MCULE-5921965282 [0,1,0,1,0,0|2,0,0]=4 3007 B10R1.359 CC1(CCC(O1)C(=O)O)C MCULE-6347581531 [0,1,0,1,0,0|1,0,0]=3 3008 B10R1.359 CC1(OCC(O1)C(=O)O)C MCULE-8459041221 [0,1,0,1,0,0|2,0,0]=4 3009 B10R1.359 CC1(OC[C@@H](O1)C(=O)O)C MCULE-4620241254 [0,1,0,1,0,0|2,0,0]=4 3010 B10R1.359 CC1(OC[C@@H](O1)C(=O)O)C MCULE-7602075849 [0,1,0,1,0,0|2,0,0]=4 3011 B10R1.359 CC1(OC[C@H](O1)C(=O)O)C MCULE-6422447541 [0,1,0,1,0,0|2,0,0]=4 3012 B10R1.359 CC1(OC[C@H](O1)C(=O)O)C MCULE-7066406161 [0,1,0,1,0,0|2,0,0]=4 3013 B10R1.368 CC(C)C[C@@H]1C[C@H]1C(=O)O MCULE-7367162008 [0,1,0,1,0,0|2,0,0]=4 3014 B10R1.470 CC1(CCC(=O)C1)C(=O)O MCULE-8301527257 [0,1,0,1,0,0|2,0,0]=4 3015 B10R1.470 CC1(CCC(=O)O1)C(=O)O MCULE-2009596037 [0,1,0,1,0,0|2,0,0]=4 3016 B10R1.470 CC1(CCC(C1)N)C(=O)O MCULE-5009717504 [0,1,0,1,0,0|2,0,0]=4 3017 B10R1.470 CC1(CCC(C1)N)C(=O)O MCULE-6646895058 [0,1,0,1,0,0|2,0,0]=4 3018 B10R1.470 CC1CCC(C1)(C)C(=O)O MCULE-3638409630 [0,1,0,1,0,0|2,0,0]=4 3019 B10R1.470 CN1CCC(C1)(C)C(=O)O MCULE-3111826192 [0,1,0,1,0,0|2,0,0]=4 3020 B10R1.470 CN1CCC(C1)(F)C(=O)O MCULE-3877912842 [0,1,0,1,0,0|2,0,0]=4 3021 B10R1.470 NC1CCC(C1)(F)C(=O)O MCULE-1564321784 [0,1,0,1,0,0|2,0,0]=4 3022 B10R1.470 NC1CCC(C1)(F)C(=O)O MCULE-3542104690 [0,1,0,1,0,0|2,0,0]=4 3023 B10R1.14 COC(=O)C1CCC(=O)O1 MCULE-7228187740 [0,1,0,1,0,0|2,0,0]=4 3024 B10R1.14 COC(=O)C1CCN(C1)C MCULE-5692618208 [0,1,0,1,0,0|2,0,0]=4 3025 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 MCULE-7346796735 [0,1,0,1,0,0|2,0,0]=4 3026 B10R1.14 COC(=O)[C@H]1CCC(=O)O1 MCULE-2949058133 [0,1,0,1,0,0|2,0,0]=4 3027 B10R1.14 COC(=O)[C@H]1CCC(=O)O1 MCULE-7663400355 [0,1,0,1,0,0|2,0,0]=4 3028 B10R1.14 [C@H]1(CCC(=O)O1)C(=O)OC MCULE-8761301192 [0,1,0,1,0,0|2,0,0]=4 3029 B10R1.15 C1(CCCCN1)C(=O)OC MCULE-3306037072 [0,1,0,1,0,0|2,0,0]=4 3030 B10R1.15 C1(CCCCN1)C(=O)OC MCULE-9288344897 [0,1,0,1,0,0|2,0,0]=4 3031 B10R1.15 COC(=O)C1CCCCC1 MCULE-6850082589 [0,1,0,1,0,0|2,0,0]=4 3032 B10R1.15 COC(=O)C1CCCCN1 MCULE-1345527122 [0,1,0,1,0,0|2,0,0]=4 3033 B10R1.15 COC(=O)C1CCCCN1 MCULE-3343413800 [0,1,0,1,0,0|2,0,0]=4 3034 B10R1.15 COC(=O)C1CCCCO1 MCULE-4699637806 [0,1,0,1,0,0|1,0,0]=3 3035 B10R1.15 COC(=O)C1CCCCS1 MCULE-5621167539 [0,1,0,1,0,0|1,1,0]=4 3036 B10R1.15 COC(=O)C1CCNCC1 MCULE-5613020223 [0,1,0,1,0,0|2,0,0]=4 3037 B10R1.15 COC(=O)C1CCNCC1 MCULE-9635570834 [0,1,0,1,0,0|2,0,0]=4 3038 B10R1.15 COC(=O)C1CCOCC1 MCULE-9277091866 [0,1,0,1,0,0|1,1,0]=4 3039 B10R1.15 COC(=O)C1CCSCC1 MCULE-2533530421 [0,1,0,1,0,0|1,0,0]=3 3040 B10R1.15 COC(=O)C1CNCCO1 MCULE-2698329193 [0,1,0,1,0,0|2,0,0]=4 3041 B10R1.15 COC(=O)C1CNCCO1 MCULE-4908930366 [0,1,0,1,0,0|2,0,0]=4 3042 B10R1.15 COC(=O)C1CNCCO1 MCULE-5645711588 [0,1,0,1,0,0|2,0,0]=4 3043 B10R1.15 COC(=O)C1CNCCO1 MCULE-6370167621 [0,1,0,1,0,0|2,0,0]=4 3044 B10R1.15 COC(=O)C1CNCCO1 MCULE-8941359764 [0,1,0,1,0,0|2,0,0]=4 3045 B10R1.15 COC(=O)[C@@H]1CCCCN1 MCULE-4659733955 [0,1,0,1,0,0|2,0,0]=4 3046 B10R1.15 COC(=O)[C@@H]1CCCCN1 MCULE-6675153946 [0,1,0,1,0,0|2,0,0]=4 3047 B10R1.15 COC(=O)[C@@H]1CCCCN1 MCULE-7164905117 [0,1,0,1,0,0|2,0,0]=4 3048 B10R1.15 COC(=O)[C@@H]1CCCCN1 MCULE-8391987811 [0,1,0,1,0,0|2,0,0]=4 3049 B10R1.15 COC(=O)[C@@H]1CNCCO1 MCULE-1095109510 [0,1,0,1,0,0|2,0,0]=4 3050 B10R1.15 COC(=O)[C@@H]1CNCCO1 MCULE-4732803083 [0,1,0,1,0,0|2,0,0]=4 3051 B10R1.15 COC(=O)[C@@H]1CNCCO1 MCULE-5642785598 [0,1,0,1,0,0|2,0,0]=4 3052 B10R1.15 COC(=O)[C@@H]1CNCCO1 MCULE-5749221307 [0,1,0,1,0,0|2,0,0]=4 3053 B10R1.15 COC(=O)[C@H]1CCCCN1 MCULE-5042289968 [0,1,0,1,0,0|2,0,0]=4 3054 B10R1.15 COC(=O)[C@H]1CCCCN1 MCULE-5552610931 [0,1,0,1,0,0|2,0,0]=4 3055 B10R1.15 COC(=O)[C@H]1CCCCN1 MCULE-6096933206 [0,1,0,1,0,0|2,0,0]=4 3056 B10R1.15 COC(=O)[C@H]1CCCCN1 MCULE-6748268572 [0,1,0,1,0,0|2,0,0]=4 3057 B10R1.15 COC(=O)[C@H]1CNCCO1 MCULE-1713285364 [0,1,0,1,0,0|2,0,0]=4 3058 B10R1.15 COC(=O)[C@H]1CNCCO1 MCULE-2717742188 [0,1,0,1,0,0|2,0,0]=4 3059 B10R1.15 COC(=O)[C@H]1CNCCO1 MCULE-3191998281 [0,1,0,1,0,0|2,0,0]=4 3060 B10R1.15 COC(=O)[C@H]1CNCCO1 MCULE-4522663718 [0,1,0,1,0,0|2,0,0]=4 3061 B10R1.15 NNC(=O)C1CCCCO1 MCULE-7036120684 [0,1,0,1,0,0|2,0,0]=4 3062 B10R1.15 O=C(CCl)C1CCCCO1 MCULE-3635601081 [0,1,0,1,0,0|2,0,0]=4 3063 B10R1.15 O=C(CO)C1CCCCC1 MCULE-7711081081 [0,1,0,1,0,0|2,0,0]=4 3064 B10R1.15 O=C(NO)C1CCCCC1 MCULE-4311817351 [0,1,0,1,0,0|2,0,0]=4 3065 B10R1.15 O=C(NO)C1CCNCC1 MCULE-3667251310 [0,1,0,1,0,0|2,0,0]=4 3066 B10R1.19 O=C1NCCCCC1CO MCULE-8501668247 [0,1,0,1,0,0|2,0,0]=4 3067 B10R1.119 CC1=C(C(=O)C(CO1)O)O MCULE-3831276380 [0,1,0,1,0,0|2,0,0]=4 3068 B10R1.159 CCC1CC1(N)C(=O)OC MCULE-7541504397 [0,1,0,1,0,0|2,0,0]=4 3069 B10R1.169 CNC1CC(C1)C(=O)OC MCULE-4263935334 [0,1,0,1,0,0|2,0,0]=4 3070 B10R1.169 CNC1CC(C1)C(=O)OC MCULE-9111688564 [0,1,0,1,0,0|2,0,0]=4 3071 B10R1.182 COC(=O)C(N)C1CCC1 MCULE-3063876554 [0,1,0,1,0,0|2,0,0]=4 3072 B10R1.182 COC(=O)C(N)C1CCC1 MCULE-3740715014 [0,1,0,1,0,0|2,0,0]=4 3073 B10R1.182 COC(=O)C(N)C1COC1 MCULE-4838271134 [0,1,0,1,0,0|1,1,0]=4 3074 B10R1.182 COC(=O)C(N)C1COC1 MCULE-6581486330 [0,1,0,1,0,0|1,1,0]=4 3075 B10R1.182 COC(=O)C(O)C1CCC1 MCULE-3016777020 [0,1,0,1,0,0|1,0,0]=3 3076 B10R1.182 COC(=O)[C@@H](N)C1CCC1 MCULE-2319437388 [0,1,0,1,0,0|2,0,0]=4 3077 B10R1.182 COC(=O)[C@@H](N)C1CCC1 MCULE-4764567509 [0,1,0,1,0,0|2,0,0]=4 3078 B10R1.182 COC(=O)[C@@H](N)C1CCC1 MCULE-8996478840 [0,1,0,1,0,0|2,0,0]=4 3079 B10R1.182 COC(=O)[C@@H](N)C1CCC1 MCULE-9749004524 [0,1,0,1,0,0|2,0,0]=4 3080 B10R1.182 COC(=O)[C@@H](N)C1COC1 MCULE-2357062048 [0,1,0,1,0,0|1,1,0]=4 3081 B10R1.182 COC(=O)[C@@H](N)C1COC1 MCULE-9469302989 [0,1,0,1,0,0|1,1,0]=4 3082 B10R1.182 COC(=O)[C@H](N)C1CCC1 MCULE-3771166263 [0,1,0,1,0,0|2,0,0]=4 3083 B10R1.182 COC(=O)[C@H](N)C1CCC1 MCULE-4986645692 [0,1,0,1,0,0|2,0,0]=4 3084 B10R1.182 COC(=O)[C@H](N)C1CCC1 MCULE-6414521728 [0,1,0,1,0,0|2,0,0]=4 3085 B10R1.182 COC(=O)[C@H](N)C1CCC1 MCULE-8525319101 [0,1,0,1,0,0|2,0,0]=4 3086 B10R1.182 COC(=O)[C@H](N)C1COC1 MCULE-5371642768 [0,1,0,1,0,0|1,1,0]=4 3087 B10R1.184 COC(=O)C(N)CC1CC1 MCULE-3169988762 [0,1,0,1,0,0|2,0,0]=4 3088 B10R1.184 COC(=O)C(N)CC1CC1 MCULE-7779770946 [0,1,0,1,0,0|2,0,0]=4 3089 B10R1.184 COC(=O)C(O)CC1CC1 MCULE-1532091194 [0,1,0,1,0,0|1,0,0]=3 3090 B10R1.184 COC(=O)[C@@H](N)CC1CC1 MCULE-2096128035 [0,1,0,1,0,0|2,0,0]=4 3091 B10R1.184 COC(=O)[C@@H](N)CC1CC1 MCULE-2322642333 [0,1,0,1,0,0|2,0,0]=4 3092 B10R1.184 COC(=O)[C@@H](N)CC1CC1 MCULE-3634059799 [0,1,0,1,0,0|2,0,0]=4 3093 B10R1.184 COC(=O)[C@@H](N)CC1CC1 MCULE-6886281095 [0,1,0,1,0,0|2,0,0]=4 3094 B10R1.184 COC(=O)[C@@H](O)CC1CC1 MCULE-1126735771 [0,1,0,1,0,0|1,0,0]=3 3095 B10R1.184 COC(=O)[C@@H](O)CC1CC1 MCULE-3788767012 [0,1,0,1,0,0|1,0,0]=3 3096 B10R1.184 COC(=O)[C@H](N)CC1CC1 MCULE-4716605311 [0,1,0,1,0,0|2,0,0]=4 3097 B10R1.184 COC(=O)[C@H](O)CC1CC1 MCULE-2915367459 [0,1,0,1,0,0|1,0,0]=3 3098 B10R1.184 COC(=O)[C@H](O)CC1CC1 MCULE-6485875061 [0,1,0,1,0,0|1,0,0]=3 3099 B10R1.411 COC(=O)C1(CCCC1)Br MCULE-1802250593 [0,1,0,1,0,0|2,0,0]=4 3100 B10R1.411 COC(=O)C1(CCCC1)C MCULE-4994351302 [0,1,0,1,0,0|2,0,0]=4 3101 B10R1.411 COC(=O)C1(CCCC1)N MCULE-3993384521 [0,1,0,1,0,0|2,0,0]=4 3102 B10R1.411 COC(=O)C1(CCCC1)N MCULE-8708334020 [0,1,0,1,0,0|2,0,0]=4 3103 B10R1.411 COC(=O)C1(CCCC1)O MCULE-9522544954 [0,1,0,1,0,0|1,0,0]=3 3104 B10R1.411 COC(=O)C1(CCNC1)C MCULE-4105754219 [0,1,0,1,0,0|2,0,0]=4 3105 B10R1.411 COC(=O)C1(CCNC1)C MCULE-4306298231 [0,1,0,1,0,0|2,0,0]=4 3106 B10R1.411 COC(=O)C1(CCNC1)F MCULE-2229999079 [0,1,0,1,0,0|2,0,0]=4 3107 B10R1.411 COC(=O)C1(CCNC1)F MCULE-8737768541 [0,1,0,1,0,0|2,0,0]=4 3108 B10R1.411 COC(=O)C1(CCNC1)O MCULE-7160148932 [0,1,0,1,0,0|1,0,0]=3 3109 B10R1.411 COC(=O)C1(CCNC1)O MCULE-7492896118 [0,1,0,1,0,0|1,0,0]=3 3110 B10R1.411 COC(=O)C1(CCOC1)Br MCULE-4656799312 [0,1,0,1,0,0|1,1,0]=4 3111 B10R1.411 COC(=O)C1(CCOC1)C MCULE-7034406255 [0,1,0,1,0,0|1,1,0]=4 3112 B10R1.411 COC(=O)C1(CCOC1)N MCULE-4987068291 [0,1,0,1,0,0|1,1,0]=4 3113 B10R1.411 COC(=O)C1(CCOC1)N MCULE-5008801545 [0,1,0,1,0,0|1,1,0]=4 3114 B10R1.411 COC(=O)C1(CCOC1)O MCULE-7161317009 [0,1,0,1,0,0|0,1,0]=3 3115 B10R1.411 COC(=O)C1(CCSC1)N MCULE-8182082021 [0,1,0,1,0,0|1,0,0]=3 3116 B10R1.411 COC(=O)C1(CCSC1)O MCULE-5872955354 [0,1,0,1,0,0|0,0,0]=2 3117 B10R1.411 COC(=O)[C@@]1(CCNC1)O MCULE-7062603831 [0,1,0,1,0,0|1,0,0]=3 3118 B10R1.411 COC(=O)[C@@]1(CCNC1)O MCULE-8313559262 [0,1,0,1,0,0|1,0,0]=3 3119 B10R1.411 COC(=O)[C@@]1(CCOC1)N MCULE-4369170451 [0,1,0,1,0,0|1,1,0]=4 3120 B10R1.411 COC(=O)[C@@]1(CCOC1)N MCULE-8824303864 [0,1,0,1,0,0|1,1,0]=4 3121 B10R1.411 COC(=O)[C@]1(CCOC1)C MCULE-3065794713 [0,1,0,1,0,0|1,1,0]=4 3122 B10R1.31 C1(NC(CS1)C(=O)O)CC MCULE-6124427567 [0,1,0,1,0,0|2,0,0]=4 3123 B10R1.31 CCC1=NOC(C1)C(=O)O MCULE-6950175956 [0,1,0,1,0,0|1,0,1]=4 3124 B10R1.31 CCC1CCC(N1)C(=O)O MCULE-9089135115 [0,1,0,1,0,0|2,0,0]=4 3125 B10R1.31 CCC1CCC(N1)C(=O)O MCULE-9951781675 [0,1,0,1,0,0|2,0,0]=4 3126 B10R1.31 CCC1NC(CS1)C(=O)O MCULE-2037916598 [0,1,0,1,0,0|2,0,0]=4 3127 B10R1.31 CCN1CCC(C1)C(=O)O MCULE-6987605321 [0,1,0,1,0,0|2,0,0]=4 3128 B10R1.31 COC1CCC(C1)C(=O)O MCULE-5189432372 [0,1,0,1,0,0|1,1,0]=4 3129 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O MCULE-2339543928 [0,1,0,1,0,0|1,1,0]=4 3130 B10R1.31 CO[C@H]1CC[C@@H](C1)C(=O)O MCULE-8255434197 [0,1,0,1,0,0|1,1,0]=4 3131 B10R1.31 CO[C@H]1CC[C@H](C1)C(=O)O MCULE-3942607370 [0,1,0,1,0,0|1,1,0]=4 3132 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O MCULE-2951589630 [0,1,0,1,0,0|1,1,0]=4 3133 B10R1.194 CC1C(CCN1C)C(=O)O MCULE-3080880087 [0,1,0,1,0,0|2,0,0]=4 3134 B10R1.194 CC1C(CCN1C)C(=O)O MCULE-8463571511 [0,1,0,1,0,0|2,0,0]=4 3135 B10R1.194 CC1CCC(N1C)C(=O)O MCULE-1631473352 [0,1,0,1,0,0|2,0,0]=4 3136 B10R1.194 CN1CCC(C1=O)C(=O)O MCULE-9291039298 [0,1,0,1,0,0|1,0,1]=4 3137 B10R1.194 C[C@@H]1CC[C@H](N1C)C(=O)O MCULE-5064787674 [0,1,0,1,0,0|2,0,0]=4 3138 B10R1.194 C[C@@H]1CC[C@H](N1C)C(=O)O MCULE-5375480697 [0,1,0,1,0,0|2,0,0]=4 3139 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O MCULE-1037781010 [0,1,0,1,0,0|2,0,0]=4 3140 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O MCULE-5608694177 [0,1,0,1,0,0|2,0,0]=4 3141 B10R1.194 C[C@H]1CC[C@H](N1C)C(=O)O MCULE-2143702379 [0,1,0,1,0,0|2,0,0]=4 3142 B10R1.194 C[C@H]1CC[C@H](N1C)C(=O)O MCULE-3730566868 [0,1,0,1,0,0|2,0,0]=4 3143 B10R1.194 C[C@H]1CC[C@H](N1C)C(=O)O MCULE-7974927719 [0,1,0,1,0,0|2,0,0]=4 3144 B10R1.194 C[C@H]1CC[C@H](N1C)C(=O)O MCULE-9806319171 [0,1,0,1,0,0|2,0,0]=4 3145 B10R1.219 CNC(C(=O)O)C1CCC1 MCULE-1036621151 [0,1,0,1,0,0|2,0,0]=4 3146 B10R1.219 CNC(C(=O)O)C1CCC1 MCULE-2626477980 [0,1,0,1,0,0|2,0,0]=4 3147 B10R1.219 COC(C(=O)O)C1CCC1 MCULE-4130966763 [0,1,0,1,0,0|1,0,0]=3 3148 B10R1.219 NCC(C(=O)O)C1CCC1 MCULE-2140507835 [0,1,0,1,0,0|2,0,0]=4 3149 B10R1.219 NCC(C(=O)O)C1CCC1 MCULE-4447331997 [0,1,0,1,0,0|2,0,0]=4 3150 B10R1.348 O=C(O)C1CCC=CCC1 MCULE-6767000432 [0,1,0,1,0,0|2,0,0]=4 3151 B10R1.348 O=C(O)C1CCCCCC1 MCULE-7903672891 [0,1,0,1,0,0|2,0,0]=4 3152 B10R1.348 O=C(O)C1CCCCCN1 MCULE-2741684183 [0,1,0,1,0,0|2,0,0]=4 3153 B10R1.348 O=C(O)C1CCCCCN1 MCULE-7374703751 [0,1,0,1,0,0|2,0,0]=4 3154 B10R1.348 O=C(O)C1CCCCNC1 MCULE-3392190626 [0,1,0,1,0,0|2,0,0]=4 3155 B10R1.348 O=C(O)C1CCCCNC1 MCULE-7795043703 [0,1,0,1,0,0|2,0,0]=4 3156 B10R1.348 O=C(O)C1CCCNCC1 MCULE-7690110773 [0,1,0,1,0,0|2,0,0]=4 3157 B10R1.348 O=C(O)C1CCCNCC1 MCULE-9766781803 [0,1,0,1,0,0|2,0,0]=4 3158 B10R1.348 O=C(O)C1CCCOCC1 MCULE-9318516869 [0,1,0,1,0,0|1,1,0]=4 3159 B10R1.348 O=C(O)C1CNCCCN1 MCULE-3558230210 [0,1,0,1,0,0|2,0,0]=4 3160 B10R1.348 O=C(O)C1CNCCCN1 MCULE-6835715048 [0,1,0,1,0,0|2,0,0]=4 3161 B10R1.348 O=C(O)C1CNCCCO1 MCULE-2282415374 [0,1,0,1,0,0|1,0,0]=3 3162 B10R1.348 O=C(O)C1CNCCCO1 MCULE-3064687044 [0,1,0,1,0,0|1,0,0]=3 3163 B10R1.348 O=C(O)C1COCCOC1 MCULE-7686530449 [0,1,0,1,0,0|2,0,0]=4 3164 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2016813857 [0,1,0,1,0,0|2,0,0]=4 3165 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2504826586 [0,1,0,1,0,0|2,0,0]=4 3166 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-4939523441 [0,1,0,1,0,0|2,0,0]=4 3167 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-8497154031 [0,1,0,1,0,0|2,0,0]=4 3168 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-1709248067 [0,1,0,1,0,0|2,0,0]=4 3169 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4607599990 [0,1,0,1,0,0|2,0,0]=4 3170 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4947785395 [0,1,0,1,0,0|2,0,0]=4 3171 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-8502245212 [0,1,0,1,0,0|2,0,0]=4 3172 B10R1.348 O=C(O)[C@H]1CCCNCC1 MCULE-2658567129 [0,1,0,1,0,0|2,0,0]=4 3173 B10R1.437 CCCCC1(CC1)C(=O)O MCULE-2829735821 [0,1,0,1,0,0|2,0,0]=4 3174 B10R1.437 COCCC1(CC1)C(=O)O MCULE-3235563669 [0,1,0,1,0,0|1,1,0]=4 3175 B10R1.469 CCC(CC1CC1)C(=O)O MCULE-1890976497 [0,1,0,1,0,0|2,0,0]=4 3176 B10R1.469 N#CC(CC1CC1)C(=O)O MCULE-3378185370 [0,1,0,1,0,0|2,0,0]=4 3177 B10R1.469 NCC(CC1CC1)C(=O)O MCULE-2099794535 [0,1,0,1,0,0|2,0,0]=4 3178 B10R1.469 NCC(CC1CC1)C(=O)O MCULE-7748639429 [0,1,0,1,0,0|2,0,0]=4 3179 B10R1.477 C#CC1(CCCC1)C(=O)O MCULE-5542543621 [0,1,0,1,0,0|2,0,0]=4 3180 B10R1.477 CCC1(CCCC1)C(=O)O MCULE-5656602965 [0,1,0,1,0,0|2,0,0]=4 3181 B10R1.477 CNC1(CCCC1)C(=O)O MCULE-1767562494 [0,1,0,1,0,0|2,0,0]=4 3182 B10R1.477 CNC1(CCCC1)C(=O)O MCULE-7365959763 [0,1,0,1,0,0|2,0,0]=4 3183 B10R1.477 CNC1(CCOC1)C(=O)O MCULE-7971278840 [0,1,0,1,0,0|1,1,0]=4 3184 B10R1.477 CNC1(CCSC1)C(=O)N MCULE-3173742173 [0,1,0,1,0,0|2,0,0]=4 3185 B10R1.477 CNC1(CCSC1)C(=O)O MCULE-1204206450 [0,1,0,1,0,0|1,0,0]=3 3186 B10R1.477 COC1(CCCC1)C(=O)C MCULE-8752650901 [0,1,0,1,0,0|2,0,0]=4 3187 B10R1.477 COC1(CCCC1)C(=O)Cl MCULE-6593147343 [0,1,0,1,0,0|2,0,0]=4 3188 B10R1.477 COC1(CCCC1)C(=O)O MCULE-1739308870 [0,1,0,1,0,0|1,0,0]=3 3189 B10R1.477 COC1(CCNC1)C(=O)O MCULE-7327143800 [0,1,0,1,0,0|1,0,0]=3 3190 B10R1.477 COC1(CCNC1)C(=O)O MCULE-9120807147 [0,1,0,1,0,0|1,0,0]=3 3191 B10R1.477 COC1(CCOC1)C(=O)O MCULE-5931705357 [0,1,0,1,0,0|0,1,0]=3 3192 B10R1.477 COC1(CCSC1)C(=O)O MCULE-4950827658 [0,1,0,1,0,0|0,0,0]=2 3193 B10R1.477 N#CC1(CCCC1)C(=O)O MCULE-1638254148 [0,1,0,1,0,0|2,0,0]=4 3194 B10R1.477 N#CC1(CCOC1)C(=O)O MCULE-4615848690 [0,1,0,1,0,0|1,1,0]=4 3195 B10R1.477 NCC1(CCCC1)C(=O)O MCULE-2746708245 [0,1,0,1,0,0|2,0,0]=4 3196 B10R1.477 NCC1(CCCC1)C(=O)O MCULE-4666634845 [0,1,0,1,0,0|2,0,0]=4 3197 B10R1.477 O=C(O)C1(CCCC1)CO MCULE-7987056998 [0,1,0,1,0,0|1,0,0]=3 3198 B10R1.477 O=C(O)C1(CCCO1)CO MCULE-7539008546 [0,1,0,1,0,0|2,0,0]=4 3199 B10R1.113 CC1=CCCC(C1)C(=O)O MCULE-1528958679 [0,1,0,1,0,0|2,0,0]=4 3200 B10R1.113 CC1=NCCC(N1)C(=O)O MCULE-8417553503 [0,1,0,1,0,0|2,0,0]=4 3201 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-2656568536 [0,1,0,1,0,0|2,0,0]=4 3202 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-4918579312 [0,1,0,1,0,0|2,0,0]=4 3203 B10R1.113 CC1CC(CCN1)C(=O)O MCULE-7720743223 [0,1,0,1,0,0|2,0,0]=4 3204 B10R1.113 CC1CC(CCN1)C(=O)O MCULE-8584436669 [0,1,0,1,0,0|2,0,0]=4 3205 B10R1.113 CC1CC(CCO1)C(=O)O MCULE-8051149188 [0,1,0,1,0,0|1,1,0]=4 3206 B10R1.113 CC1CCCC(C1)C(=O)O MCULE-1709216331 [0,1,0,1,0,0|2,0,0]=4 3207 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-2752928027 [0,1,0,1,0,0|2,0,0]=4 3208 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7361502591 [0,1,0,1,0,0|2,0,0]=4 3209 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7906995060 [0,1,0,1,0,0|2,0,0]=4 3210 B10R1.113 CC1CCCC(O1)C(=O)O MCULE-2545962496 [0,1,0,1,0,0|1,0,0]=3 3211 B10R1.113 CC1CCNC(C1)C(=O)O MCULE-7170086856 [0,1,0,1,0,0|2,0,0]=4 3212 B10R1.113 CC1CNCC(C1)C(=O)O MCULE-6208683659 [0,1,0,1,0,0|2,0,0]=4 3213 B10R1.113 CC1CNCC(O1)C(=O)N MCULE-4373996098 [0,1,0,1,0,0|2,0,0]=4 3214 B10R1.113 CC1CNCC(O1)C(=O)O MCULE-4851002529 [0,1,0,1,0,0|1,0,0]=3 3215 B10R1.113 CC1COCC(N1)C(=O)O MCULE-6739051094 [0,1,0,1,0,0|2,0,0]=4 3216 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-2577677138 [0,1,0,1,0,0|2,0,0]=4 3217 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-9093982856 [0,1,0,1,0,0|2,0,0]=4 3218 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3472059995 [0,1,0,1,0,0|2,0,0]=4 3219 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3661518240 [0,1,0,1,0,0|2,0,0]=4 3220 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-4244061094 [0,1,0,1,0,0|2,0,0]=4 3221 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-1368409828 [0,1,0,1,0,0|2,0,0]=4 3222 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-2079226353 [0,1,0,1,0,0|2,0,0]=4 3223 B10R1.113 CN1CCNC(C1)C(=O)O MCULE-2247528725 [0,1,0,1,0,0|2,0,0]=4 3224 B10R1.113 CN1CCNC(C1)C(=O)O MCULE-9094338983 [0,1,0,1,0,0|2,0,0]=4 3225 B10R1.113 CN1CCN[C@@H](C1)C(=O)O MCULE-5238925665 [0,1,0,1,0,0|2,0,0]=4 3226 B10R1.113 CN1CCN[C@@H](C1)C(=O)O MCULE-6341643779 [0,1,0,1,0,0|2,0,0]=4 3227 B10R1.113 CN1CCN[C@H](C1)C(=O)O MCULE-1518073789 [0,1,0,1,0,0|2,0,0]=4 3228 B10R1.113 CN1CCN[C@H](C1)C(=O)O MCULE-8312508233 [0,1,0,1,0,0|2,0,0]=4 3229 B10R1.113 CN1CCOC(C1)C(=O)O MCULE-5046751827 [0,1,0,1,0,0|2,0,0]=4 3230 B10R1.113 CN1CCOC(C1)C(=O)O MCULE-8819512874 [0,1,0,1,0,0|2,0,0]=4 3231 B10R1.113 C[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-4534640450 [0,1,0,1,0,0|2,0,0]=4 3232 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6827473516 [0,1,0,1,0,0|2,0,0]=4 3233 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6916060172 [0,1,0,1,0,0|2,0,0]=4 3234 B10R1.113 C[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2658835025 [0,1,0,1,0,0|2,0,0]=4 3235 B10R1.113 C[C@@H]1CCN[C@@H](C1)C(=O)O MCULE-6382189211 [0,1,0,1,0,0|2,0,0]=4 3236 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-3220705725 [0,1,0,1,0,0|2,0,0]=4 3237 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-4368703620 [0,1,0,1,0,0|2,0,0]=4 3238 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-5852226290 [0,1,0,1,0,0|2,0,0]=4 3239 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-8448888283 [0,1,0,1,0,0|2,0,0]=4 3240 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-6787897599 [0,1,0,1,0,0|2,0,0]=4 3241 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-7011808441 [0,1,0,1,0,0|2,0,0]=4 3242 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-1640808929 [0,1,0,1,0,0|1,0,0]=3 3243 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-5152957457 [0,1,0,1,0,0|1,0,0]=3 3244 B10R1.113 C[C@@H]1CNC[C@H](C1)C(=O)O MCULE-8762702780 [0,1,0,1,0,0|2,0,0]=4 3245 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O MCULE-6500795104 [0,1,0,1,0,0|2,0,0]=4 3246 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O MCULE-9135304432 [0,1,0,1,0,0|2,0,0]=4 3247 B10R1.113 C[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2151963828 [0,1,0,1,0,0|2,0,0]=4 3248 B10R1.113 C[C@H]1CCC[C@H](C1)C(=O)O MCULE-9191189376 [0,1,0,1,0,0|2,0,0]=4 3249 B10R1.113 C[C@H]1CCN[C@@H](C1)C(=O)O MCULE-3797871093 [0,1,0,1,0,0|2,0,0]=4 3250 B10R1.113 C[C@H]1CCN[C@@H](C1)C(=O)O MCULE-3813657182 [0,1,0,1,0,0|2,0,0]=4 3251 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O MCULE-8048617173 [0,1,0,1,0,0|2,0,0]=4 3252 B10R1.113 C[C@H]1CNC[C@@H](C1)C(=O)O MCULE-9182357479 [0,1,0,1,0,0|2,0,0]=4 3253 B10R1.113 C[C@H]1CNC[C@H](C1)C(=O)O MCULE-7208949681 [0,1,0,1,0,0|2,0,0]=4 3254 B10R1.113 C[C@H]1C[C@H](CCN1)C(=O)O MCULE-3777490064 [0,1,0,1,0,0|2,0,0]=4 3255 B10R1.113 C[C@H]1C[C@H](CCN1)C(=O)O MCULE-7587755997 [0,1,0,1,0,0|2,0,0]=4 3256 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-1721377644 [0,1,0,1,0,0|2,0,0]=4 3257 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-3598251126 [0,1,0,1,0,0|2,0,0]=4 3258 B10R1.113 NC1CCOC(C1)C(=O)O MCULE-7071803947 [0,1,0,1,0,0|1,0,0]=3 3259 B10R1.113 NC1CCOC(C1)C(=O)O MCULE-7129710557 [0,1,0,1,0,0|1,0,0]=3 3260 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5563204448 [0,1,0,1,0,0|2,0,0]=4 3261 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5798146682 [0,1,0,1,0,0|2,0,0]=4 3262 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-8105249419 [0,1,0,1,0,0|2,0,0]=4 3263 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-9161171059 [0,1,0,1,0,0|2,0,0]=4 3264 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2713838733 [0,1,0,1,0,0|2,0,0]=4 3265 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2810146308 [0,1,0,1,0,0|2,0,0]=4 3266 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-3141762073 [0,1,0,1,0,0|2,0,0]=4 3267 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-6970045085 [0,1,0,1,0,0|2,0,0]=4 3268 B10R1.113 N[C@@H]1CCO[C@H](C1)C(=O)O MCULE-5264166397 [0,1,0,1,0,0|1,0,0]=3 3269 B10R1.113 N[C@@H]1CCO[C@H](C1)C(=O)O MCULE-6153195788 [0,1,0,1,0,0|1,0,0]=3 3270 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-3283868687 [0,1,0,1,0,0|2,0,0]=4 3271 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-5009823003 [0,1,0,1,0,0|2,0,0]=4 3272 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-6716939610 [0,1,0,1,0,0|2,0,0]=4 3273 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-8264766500 [0,1,0,1,0,0|2,0,0]=4 3274 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-1016300044 [0,1,0,1,0,0|2,0,0]=4 3275 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-2730367375 [0,1,0,1,0,0|2,0,0]=4 3276 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3326410223 [0,1,0,1,0,0|2,0,0]=4 3277 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3370817462 [0,1,0,1,0,0|2,0,0]=4 3278 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3467671648 [0,1,0,1,0,0|2,0,0]=4 3279 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-7929171022 [0,1,0,1,0,0|2,0,0]=4 3280 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-2758341308 [0,1,0,1,0,0|2,0,0]=4 3281 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-7585455422 [0,1,0,1,0,0|2,0,0]=4 3282 B10R1.113 O=C(O)C1CCCC(C1)F MCULE-2589850350 [0,1,0,1,0,0|2,0,0]=4 3283 B10R1.113 O=C(O)C1CCCC(C1)O MCULE-9068909742 [0,1,0,1,0,0|2,0,0]=4 3284 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-1509835362 [0,1,0,1,0,0|2,0,0]=4 3285 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-2282540668 [0,1,0,1,0,0|2,0,0]=4 3286 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-2678948022 [0,1,0,1,0,0|2,0,0]=4 3287 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-6048774329 [0,1,0,1,0,0|2,0,0]=4 3288 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-1390000123 [0,1,0,1,0,0|2,0,0]=4 3289 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-5873942206 [0,1,0,1,0,0|2,0,0]=4 3290 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O MCULE-5317131791 [0,1,0,1,0,0|2,0,0]=4 3291 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-1308626340 [0,1,0,1,0,0|2,0,0]=4 3292 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-5789638591 [0,1,0,1,0,0|2,0,0]=4 3293 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3370494896 [0,1,0,1,0,0|2,0,0]=4 3294 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3728932412 [0,1,0,1,0,0|2,0,0]=4 3295 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1474484031 [0,1,0,1,0,0|2,0,0]=4 3296 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1820373402 [0,1,0,1,0,0|2,0,0]=4 3297 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4771226737 [0,1,0,1,0,0|2,0,0]=4 3298 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4907773186 [0,1,0,1,0,0|2,0,0]=4 3299 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-8175624129 [0,1,0,1,0,0|2,0,0]=4 3300 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-4751772547 [0,1,0,1,0,0|2,0,0]=4 3301 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-6686826243 [0,1,0,1,0,0|2,0,0]=4 3302 B10R1.113 O=C1NCCC(O1)C(=O)O MCULE-1272116406 [0,1,0,1,0,0|1,0,1]=4 3303 B10R1.113 [C@@H]1(CCCC(N1)C)C(=O)O MCULE-7930307305 [0,1,0,1,0,0|2,0,0]=4 3304 B10R1.113 [C@H]1(CCCN(C1)C)C(=O)O MCULE-4364645223 [0,1,0,1,0,0|2,0,0]=4 3305 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-2539251802 [0,1,0,1,0,0|2,0,0]=4 3306 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-4407634771 [0,1,0,1,0,0|2,0,0]=4 3307 B10R1.204 CC(CC1CCC1)C(=O)O MCULE-9404107634 [0,1,0,1,0,0|2,0,0]=4 3308 B10R1.204 C[C@H](NC1CCC1)C(=O)O MCULE-7409631566 [0,1,0,1,0,0|2,0,0]=4 3309 B10R1.204 NC(CC1CCC1)C(=O)O MCULE-3218968630 [0,1,0,1,0,0|2,0,0]=4 3310 B10R1.204 NC(CC1CCC1)C(=O)O MCULE-4504908507 [0,1,0,1,0,0|2,0,0]=4 3311 B10R1.204 NC(CC1CCC1)C(=O)O MCULE-9377321223 [0,1,0,1,0,0|2,0,0]=4 3312 B10R1.204 N[C@@H](CC1CCC1)C(=O)O MCULE-1216111783 [0,1,0,1,0,0|2,0,0]=4 3313 B10R1.204 N[C@@H](CC1CCC1)C(=O)O MCULE-5390134859 [0,1,0,1,0,0|2,0,0]=4 3314 B10R1.204 N[C@@H](CC1CCC1)C(=O)O MCULE-5493935992 [0,1,0,1,0,0|2,0,0]=4 3315 B10R1.204 N[C@H](CC1CCC1)C(=O)O MCULE-3225528393 [0,1,0,1,0,0|2,0,0]=4 3316 B10R1.204 N[C@H](CC1CCC1)C(=O)O MCULE-7473428983 [0,1,0,1,0,0|2,0,0]=4 3317 B10R1.204 O=C(O)C(F)CC1CCC1 MCULE-4701098034 [0,1,0,1,0,0|2,0,0]=4 3318 B10R1.204 O=C(O)[C@H](O)CC1CCC1 MCULE-8975040339 [0,1,0,1,0,0|1,0,0]=3 3319 B10R1.235 CCC1(CC(C1)C(=O)O)F MCULE-9977538313 [0,1,0,1,0,0|2,0,0]=4 3320 B10R1.490 CO[C@H]1C[C@](C1)(N)C(=O)O MCULE-7267565968 [0,1,0,1,0,0|1,1,0]=4 3321 B10R1.93 CCCC1CC(C1)C(=O)O MCULE-7182602664 [0,1,0,1,0,0|2,0,0]=4 3322 B10R1.93 CCOC1CC(C1)C(=O)O MCULE-2644121943 [0,1,0,1,0,0|1,1,0]=4 3323 B10R1.93 COCC1CC(C1)C(=O)O MCULE-8420432135 [0,1,0,1,0,0|1,1,0]=4 3324 B10R1.131 CCCC1OC(=O)C(O1)C MCULE-3323635957 [0,1,0,1,0,0|2,0,0]=4 3325 B10R1.363 CC(=O)C1(CCCCC1)O MCULE-8708554984 [0,1,0,1,0,0|2,0,0]=4 3326 B10R1.363 CC(=O)C1(CCOCC1)O MCULE-4174424855 [0,1,0,1,0,0|1,1,0]=4 3327 B10R1.363 CC1(CC=CCC1)C(=O)O MCULE-5814640957 [0,1,0,1,0,0|2,0,0]=4 3328 B10R1.363 CC1(CCCCC1)C(=O)O MCULE-8617368211 [0,1,0,1,0,0|2,0,0]=4 3329 B10R1.363 CC1(CCCCN1)C(=O)O MCULE-4353837718 [0,1,0,1,0,0|2,0,0]=4 3330 B10R1.363 CC1(CCCCN1)C(=O)O MCULE-5823768018 [0,1,0,1,0,0|2,0,0]=4 3331 B10R1.363 CC1(CCCCO1)C(=O)O MCULE-8167039984 [0,1,0,1,0,0|1,0,0]=3 3332 B10R1.363 CC1(CCCNC1)C(=O)O MCULE-1830247756 [0,1,0,1,0,0|2,0,0]=4 3333 B10R1.363 CC1(CCCNC1)C(=O)O MCULE-4554317503 [0,1,0,1,0,0|2,0,0]=4 3334 B10R1.363 CC1(CCCOC1)C(=O)O MCULE-3722771180 [0,1,0,1,0,0|1,1,0]=4 3335 B10R1.363 CC1(CCNCC1)C(=O)O MCULE-5925956345 [0,1,0,1,0,0|2,0,0]=4 3336 B10R1.363 CC1(CCNCC1)C(=O)O MCULE-9595642308 [0,1,0,1,0,0|2,0,0]=4 3337 B10R1.363 CC1(CCOCC1)C(=O)O MCULE-6824729734 [0,1,0,1,0,0|1,1,0]=4 3338 B10R1.363 CC1(CCSCC1)C(=O)O MCULE-4494370785 [0,1,0,1,0,0|1,0,0]=3 3339 B10R1.363 CC1(CNCCO1)C(=O)O MCULE-6864976931 [0,1,0,1,0,0|2,0,0]=4 3340 B10R1.363 CC1(CNCCO1)C(=O)O MCULE-7815848744 [0,1,0,1,0,0|2,0,0]=4 3341 B10R1.363 CC1(COCCN1)C(=O)O MCULE-2577762263 [0,1,0,1,0,0|1,1,0]=4 3342 B10R1.363 CC1(COCCN1)C(=O)O MCULE-4596611063 [0,1,0,1,0,0|1,1,0]=4 3343 B10R1.363 CC1(COCCO1)C(=O)O MCULE-5074851185 [0,1,0,1,0,0|1,1,0]=4 3344 B10R1.363 CC1(COCOC1)C(=O)O MCULE-7267825356 [0,1,0,1,0,0|1,1,0]=4 3345 B10R1.363 C[C@@]1(CCCCN1)C(=O)O MCULE-2751244606 [0,1,0,1,0,0|2,0,0]=4 3346 B10R1.363 C[C@@]1(CCCCN1)C(=O)O MCULE-9588562839 [0,1,0,1,0,0|2,0,0]=4 3347 B10R1.363 C[C@@]1(CCCCO1)C(=O)O MCULE-8351337180 [0,1,0,1,0,0|1,0,0]=3 3348 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-2580172241 [0,1,0,1,0,0|2,0,0]=4 3349 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-5735574050 [0,1,0,1,0,0|2,0,0]=4 3350 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-6097682986 [0,1,0,1,0,0|2,0,0]=4 3351 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-8361078667 [0,1,0,1,0,0|2,0,0]=4 3352 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-2019738412 [0,1,0,1,0,0|2,0,0]=4 3353 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-5663835052 [0,1,0,1,0,0|2,0,0]=4 3354 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-8254704116 [0,1,0,1,0,0|2,0,0]=4 3355 B10R1.363 C[C@]1(CCCCO1)C(=O)O MCULE-1520204390 [0,1,0,1,0,0|1,0,0]=3 3356 B10R1.363 C[C@]1(CCCCO1)C(=O)O MCULE-5357080399 [0,1,0,1,0,0|1,0,0]=3 3357 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-4789999853 [0,1,0,1,0,0|2,0,0]=4 3358 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-5338426663 [0,1,0,1,0,0|2,0,0]=4 3359 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-6021049561 [0,1,0,1,0,0|2,0,0]=4 3360 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-7816386590 [0,1,0,1,0,0|2,0,0]=4 3361 B10R1.363 NC(=O)C1(CCCCC1)O MCULE-9953817877 [0,1,0,1,0,0|2,0,0]=4 3362 B10R1.363 NC(=O)C1(CCCNC1)O MCULE-5624973083 [0,1,0,1,0,0|2,0,0]=4 3363 B10R1.363 NC(=O)C1(CCNCC1)O MCULE-1637528026 [0,1,0,1,0,0|2,0,0]=4 3364 B10R1.363 NC(=O)C1(CCNCC1)O MCULE-9426392755 [0,1,0,1,0,0|2,0,0]=4 3365 B10R1.363 NC(=O)C1(CCOCC1)O MCULE-6043002573 [0,1,0,1,0,0|1,1,0]=4 3366 B10R1.363 NC(=O)C1(CCSCC1)N MCULE-4385733187 [0,1,0,1,0,0|2,0,0]=4 3367 B10R1.363 NC(=O)C1(CCSCC1)O MCULE-5322321936 [0,1,0,1,0,0|1,0,0]=3 3368 B10R1.363 NC1(CCCCC1)C(=O)O MCULE-9219404299 [0,1,0,1,0,0|2,0,0]=4 3369 B10R1.363 NC1(CCCOC1)C(=O)O MCULE-7592747043 [0,1,0,1,0,0|1,1,0]=4 3370 B10R1.363 NC1(CCCSC1)C(=O)O MCULE-5875012341 [0,1,0,1,0,0|1,0,0]=3 3371 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-2468722313 [0,1,0,1,0,0|2,0,0]=4 3372 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-4525710147 [0,1,0,1,0,0|2,0,0]=4 3373 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-5856930946 [0,1,0,1,0,0|2,0,0]=4 3374 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-8458518802 [0,1,0,1,0,0|2,0,0]=4 3375 B10R1.363 NC1(CCOCC1)C(=O)O MCULE-8720926076 [0,1,0,1,0,0|1,1,0]=4 3376 B10R1.363 NC1(CCOCC1)C(=O)O MCULE-9032013861 [0,1,0,1,0,0|1,1,0]=4 3377 B10R1.363 NC1(CCSCC1)C(=O)O MCULE-3400288648 [0,1,0,1,0,0|1,0,0]=3 3378 B10R1.363 NC1(CCSCC1)C(=O)O MCULE-7826194478 [0,1,0,1,0,0|1,0,0]=3 3379 B10R1.363 O=C(O)C1(CCCCC1)Br MCULE-4457572618 [0,1,0,1,0,0|2,0,0]=4 3380 B10R1.363 O=C(O)C1(CCCCC1)Cl MCULE-9172453010 [0,1,0,1,0,0|2,0,0]=4 3381 B10R1.363 O=C(O)C1(CCCCC1)F MCULE-6566089811 [0,1,0,1,0,0|2,0,0]=4 3382 B10R1.363 O=C(O)C1(CCCCC1)O MCULE-8504861268 [0,1,0,1,0,0|1,0,0]=3 3383 B10R1.363 O=C(O)C1(CCCNC1)O MCULE-4880129058 [0,1,0,1,0,0|1,0,0]=3 3384 B10R1.363 O=C(O)C1(CCCNC1)O MCULE-9960592206 [0,1,0,1,0,0|1,0,0]=3 3385 B10R1.363 O=C(O)C1(CCCOC1)F MCULE-8290066035 [0,1,0,1,0,0|1,1,0]=4 3386 B10R1.363 O=C(O)C1(CCNCC1)F MCULE-1312767997 [0,1,0,1,0,0|2,0,0]=4 3387 B10R1.363 O=C(O)C1(CCNCC1)F MCULE-5915477961 [0,1,0,1,0,0|2,0,0]=4 3388 B10R1.363 O=C(O)C1(CCNCC1)O MCULE-4619147711 [0,1,0,1,0,0|1,0,0]=3 3389 B10R1.363 O=C(O)C1(CCNCC1)O MCULE-6538244346 [0,1,0,1,0,0|1,0,0]=3 3390 B10R1.363 O=C(O)C1(CCOCC1)F MCULE-7783441156 [0,1,0,1,0,0|1,1,0]=4 3391 B10R1.363 O=C(O)C1(CCOCC1)O MCULE-4186201239 [0,1,0,1,0,0|0,1,0]=3 3392 B10R1.363 O=C(O)C1(CCSCC1)O MCULE-8230713014 [0,1,0,1,0,0|0,0,0]=2 3393 B10R1.363 [NH3+]C1(CCCCC1)C(=O)O MCULE-1248384499 [0,1,0,1,0,0|2,0,0]=4 3394 B10R1.354 CC(C)(C(=O)O)C1CCC1 MCULE-2258535093 [0,1,0,1,0,0|2,0,0]=4 3395 B10R1.354 CC(C)(C(=O)O)C1CNC1 MCULE-1343052229 [0,1,0,1,0,0|2,0,0]=4 3396 B10R1.354 CC(C)(C(=O)O)C1CNC1 MCULE-7369462099 [0,1,0,1,0,0|2,0,0]=4 3397 B10R1.354 CC(N)(C(=O)O)C1CCC1 MCULE-4918102968 [0,1,0,1,0,0|2,0,0]=4 3398 B10R1.354 CC(N)(C(=O)O)C1CCC1 MCULE-6559227354 [0,1,0,1,0,0|2,0,0]=4 3399 B10R1.354 CC(N)(C(=O)O)C1COC1 MCULE-6006399645 [0,1,0,1,0,0|1,1,0]=4 3400 B10R1.354 CC(N)(C(=O)O)C1COC1 MCULE-7118895389 [0,1,0,1,0,0|1,1,0]=4 3401 B10R1.354 CC(O)(C(=O)O)C1CCC1 MCULE-4063351378 [0,1,0,1,0,0|1,0,0]=3 3402 B10R1.354 O=C(O)C(F)(F)C1CCC1 MCULE-6803588002 [0,1,0,1,0,0|2,0,0]=4 3403 B10R1.356 CC(C)(CC1CC1)C(=O)O MCULE-9668799667 [0,1,0,1,0,0|2,0,0]=4 3404 B10R1.356 O=C(O)C(F)(F)CC1CC1 MCULE-4271456572 [0,1,0,1,0,0|2,0,0]=4 3405 B10R2.61 O=C1OC2CCNC1C2 MCULE-8392788767 [0,0,0,2,0,0|2,0,0]=4 3406 B10R2.61 O=C1OC2CCOC1C2 MCULE-4977323499 [0,0,0,2,0,0|1,0,0]=3 3407 B10R2.178 O=C1CCC2CCC1O2 MCULE-3236338675 [0,0,0,2,0,0|2,0,0]=4 3408 B10R2.178 O=C1NCC2CCC1O2 MCULE-2784769464 [0,0,0,2,0,0|2,0,0]=4 3409 B10R2.178 O=C1NC[C@@H]2CC[C@H]1O2 MCULE-2850895205 [0,0,0,2,0,0|2,0,0]=4 3410 B10R2.62 C12CCC(CC1)C(=O)O2 MCULE-4611258343 [0,0,0,2,0,0|2,0,0]=4 3411 B10R2.62 O=C1OC2CCC1CC2 MCULE-7150392682 [0,0,0,2,0,0|2,0,0]=4 3412 B10R2.344 O=C(O)C12CC1CCN2 MCULE-8958769379 [0,0,0,2,0,0|2,0,0]=4 3413 B10R2.344 O=C(O)C12CC1CCN2 MCULE-9918894627 [0,0,0,2,0,0|2,0,0]=4 3414 B10R2.344 O=C(O)C12CCCC1C2 MCULE-1433395114 [0,0,0,2,0,0|2,0,0]=4 3415 B10R2.344 O=C(O)C12CCNC1C2 MCULE-4622558327 [0,0,0,2,0,0|2,0,0]=4 3416 B10R2.344 O=C(O)C12CCNC1C2 MCULE-5876870827 [0,0,0,2,0,0|2,0,0]=4 3417 B10R2.344 O=C(O)C12CNCC1C2 MCULE-1023234959 [0,0,0,2,0,0|2,0,0]=4 3418 B10R2.344 O=C(O)C12CNCC1C2 MCULE-2698470641 [0,0,0,2,0,0|2,0,0]=4 3419 B10R2.344 O=C(O)C12COCC1C2 MCULE-4962599130 [0,0,0,2,0,0|1,1,0]=4 3420 B10R2.344 O=C(O)[C@@]12CC1CCN2 MCULE-8361805191 [0,0,0,2,0,0|2,0,0]=4 3421 B10R2.344 O=C(O)[C@@]12CC1CCN2 MCULE-9298532680 [0,0,0,2,0,0|2,0,0]=4 3422 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 MCULE-5335382694 [0,0,0,2,0,0|1,1,0]=4 3423 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 MCULE-6955865926 [0,0,0,2,0,0|1,1,0]=4 3424 B10R2.344 O=C(O)[C@]12COCC1C2 MCULE-6646373866 [0,0,0,2,0,0|1,1,0]=4 3425 B10R2.344 [C@@H]12COC[C@@]1(C2)C(=O)O MCULE-1926490936 [0,0,0,2,0,0|1,1,0]=4 3426 B10R2.344 [C@@H]12COC[C@@]1(C2)C(=O)O MCULE-4045090245 [0,0,0,2,0,0|1,1,0]=4 3427 B10R2.351 O=C(O)C1C2C1CCC2 MCULE-5457069948 [0,0,0,2,0,0|2,0,0]=4 3428 B10R2.351 O=C(O)C1C2C1CNC2 MCULE-2636221459 [0,0,0,2,0,0|2,0,0]=4 3429 B10R2.351 O=C(O)C1C2C1CNC2 MCULE-6853944528 [0,0,0,2,0,0|2,0,0]=4 3430 B10R2.351 O=C(O)C1C2C1COC2 MCULE-7410101644 [0,0,0,2,0,0|1,1,0]=4 3431 B10R2.351 O=C(O)[C@@H]1[C@@H]2[C@H]1CNC2 MCULE-4336908718 [0,0,0,2,0,0|2,0,0]=4 3432 B10R2.351 O=C(O)[C@@H]1[C@@H]2[C@H]1COC2 MCULE-2602641452 [0,0,0,2,0,0|1,1,0]=4 3433 B10R2.351 O=C(O)[C@H]1[C@@H]2[C@H]1CNC2 MCULE-3047485005 [0,0,0,2,0,0|2,0,0]=4 3434 B10R2.351 O=C(O)[C@H]1[C@@H]2[C@H]1CNC2 MCULE-7215981155 [0,0,0,2,0,0|2,0,0]=4 3435 B10R2.351 [C@@H]12CNC[C@@H]1[C@H]2C(=O)O MCULE-8121766639 [0,0,0,2,0,0|2,0,0]=4 3436 B10R2.351 [C@H]12COC[C@H]1[C@H]2C(=O)O MCULE-2561176480 [0,0,0,2,0,0|1,1,0]=4 3437 B10R2.355 O=C(O)C1NCC2C1C2 MCULE-8087821545 [0,0,0,2,0,0|2,0,0]=4 3438 B10R2.355 O=C(O)C1NCC2C1C2 MCULE-9943749675 [0,0,0,2,0,0|2,0,0]=4 3439 B10R2.355 O=C(O)C1NC[C@@H]2[C@H]1C2 MCULE-3741942930 [0,0,0,2,0,0|2,0,0]=4 3440 B10R2.355 O=C(O)C1NC[C@@H]2[C@H]1C2 MCULE-8099098772 [0,0,0,2,0,0|2,0,0]=4 3441 B10R2.355 O=C(O)[C@@H]1NC[C@@H]2[C@H]1C2 MCULE-6549710478 [0,0,0,2,0,0|2,0,0]=4 3442 B10R2.355 O=C(O)[C@@H]1NC[C@@H]2[C@H]1C2 MCULE-7349536483 [0,0,0,2,0,0|2,0,0]=4 3443 B10R2.355 O=C(O)[C@H]1NC[C@@H]2[C@H]1C2 MCULE-1865131686 [0,0,0,2,0,0|2,0,0]=4 3444 B10R2.355 O=C(O)[C@H]1NC[C@H]2[C@@H]1C2 MCULE-3923610209 [0,0,0,2,0,0|2,0,0]=4 3445 B10R2.355 O=C(O)[C@H]1NC[C@H]2[C@@H]1C2 MCULE-6551780838 [0,0,0,2,0,0|2,0,0]=4 3446 B10R2.355 O=C(O)[C@H]1NC[C@H]2[C@@H]1C2 MCULE-9694754423 [0,0,0,2,0,0|2,0,0]=4 3447 B10R2.355 [C@@H]12CN[C@@H]([C@@H]1C2)C(=O)O MCULE-4493728887 [0,0,0,2,0,0|2,0,0]=4 3448 B10R2.355 [C@@H]12CN[C@@H]([C@@H]1C2)C(=O)O MCULE-8766409370 [0,0,0,2,0,0|2,0,0]=4 3449 B10R2.355 [C@@H]12CN[C@@H]([C@@H]1C2)C(=O)O MCULE-8840539566 [0,0,0,2,0,0|2,0,0]=4 3450 B10R2.355 [C@@H]12CN[C@H]([C@@H]1C2)C(=O)O MCULE-1970630066 [0,0,0,2,0,0|2,0,0]=4 3451 B10R2.355 [C@@H]12CN[C@H]([C@@H]1C2)C(=O)O MCULE-7946950016 [0,0,0,2,0,0|2,0,0]=4 3452 B10R2.355 [C@H]12C[C@H]1CN[C@@H]2C(=O)O MCULE-9408302039 [0,0,0,2,0,0|2,0,0]=4 3453 B10R2.355 [C@H]12C[C@H]1CN[C@H]2C(=O)O MCULE-4802776373 [0,0,0,2,0,0|2,0,0]=4 3454 B10R2.357 O=C(O)C1CC2CC2C1 MCULE-9890442572 [0,0,0,2,0,0|2,0,0]=4 3455 B10R2.357 O=C(O)C1CC2CC2N1 MCULE-4212410891 [0,0,0,2,0,0|2,0,0]=4 3456 B10R2.357 O=C(O)C1CC2CC2N1 MCULE-5642169472 [0,0,0,2,0,0|2,0,0]=4 3457 B10R2.357 O=C(O)C1CC2CC2N1 MCULE-6526449280 [0,0,0,2,0,0|2,0,0]=4 3458 B10R2.357 O=C(O)C1CC2OC2C1 MCULE-1665894100 [0,0,0,2,0,0|1,1,0]=4 3459 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 MCULE-8901519673 [0,0,0,2,0,0|2,0,0]=4 3460 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 MCULE-8974728452 [0,0,0,2,0,0|2,0,0]=4 3461 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 MCULE-2251552616 [0,0,0,2,0,0|2,0,0]=4 3462 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 MCULE-3670081653 [0,0,0,2,0,0|2,0,0]=4 3463 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 MCULE-4127413852 [0,0,0,2,0,0|2,0,0]=4 3464 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 MCULE-5543837378 [0,0,0,2,0,0|2,0,0]=4 3465 B10R2.357 [C@@H]12C[C@@H](N[C@@H]1C2)C(=O)O MCULE-2699537727 [0,0,0,2,0,0|2,0,0]=4 3466 B10R2.357 [C@@H]12C[C@@H](N[C@@H]1C2)C(=O)O MCULE-2957583599 [0,0,0,2,0,0|2,0,0]=4 3467 B10R2.357 [C@@H]12C[C@@H](N[C@@H]1C2)C(=O)O MCULE-8019742930 [0,0,0,2,0,0|2,0,0]=4 3468 B10R2.357 [C@@H]12C[C@@H](N[C@@H]1C2)C(=O)O MCULE-9906255485 [0,0,0,2,0,0|2,0,0]=4 3469 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)O MCULE-3004356941 [0,0,0,2,0,0|2,0,0]=4 3470 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)O MCULE-7104749205 [0,0,0,2,0,0|2,0,0]=4 3471 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)O MCULE-9522199577 [0,0,0,2,0,0|2,0,0]=4 3472 B10R2.348 O=C(O)C12CCC(C1)C2 MCULE-8219273908 [0,0,0,2,0,0|2,0,0]=4 3473 B10R2.348 O=C(O)C12CNC(C1)C2 MCULE-7157298202 [0,0,0,2,0,0|2,0,0]=4 3474 B10R2.348 O=C(O)C12COC(C1)C2 MCULE-8326120300 [0,0,0,2,0,0|1,1,0]=4 3475 B10R2.3 O=C1COC12CCCC2 MCULE-2720364777 [0,0,0,2,0,0|2,0,0]=4 3476 B10R2.633 O=C(O)C1CC1C2CC2 MCULE-6848931753 [0,0,0,2,0,0|2,0,0]=4 3477 B10R2.633 O=C(O)[C@H]1C[C@@H]1C2CC2 MCULE-1673827734 [0,0,0,2,0,0|2,0,0]=4 3478 B10R2.638 O=C(O)C1CC12CCC2 MCULE-5122422025 [0,0,0,2,0,0|2,0,0]=4 3479 B10R2.638 O=C(O)C1CC12COC2 MCULE-3616837602 [0,0,0,2,0,0|1,1,0]=4 3480 B10R2.638 O=C(O)[C@H]1CC12CCC2 MCULE-6436884704 [0,0,0,2,0,0|2,0,0]=4 3481 B10R2.646 O=C(O)C1CC2(C1)CC2 MCULE-6115049357 [0,0,0,2,0,0|2,0,0]=4 3482 B10R0.78 CCCCC(C)CCC(=O)O MCULE-2454273176 [0,0,0,0,0,2|2,0,0]=4 3483 B10R0.78 CCCCC(N)CCC(=O)O MCULE-2622598542 [0,0,0,0,0,2|2,0,0]=4 3484 B10R0.78 CCCCC(N)CCC(=O)O MCULE-5683869807 [0,0,0,0,0,2|2,0,0]=4 3485 B10R0.78 CCCCC(O)CCC(=O)O MCULE-6806538778 [0,0,0,0,0,2|1,0,0]=3 3486 B10R0.78 CCCCC(O)CCC(=O)[O-] MCULE-9148086354 [0,0,0,0,0,2|1,0,1]=4 3487 B10R0.78 CCCC[C@H](C)CCC(=O)O MCULE-4790339661 [0,0,0,0,0,2|2,0,0]=4