0 B12R0.339 NC(CC(C(=O)O)C(=O)O)C(=O)O MCULE-9211852409 [0,0,0,0,0,0|0,0,0]=0 1 B12R0.339 N[C@@H](CC(C(=O)O)C(=O)O)C(=O)O MCULE-3470440072 [0,0,0,0,0,0|0,0,0]=0 2 B11R0.28 CC(=O)CCC(C(=O)C)C(=O)C MCULE-3780673236 [1,0,0,0,0,0|3,0,0]=4 3 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O MCULE-4285872078 [1,0,0,0,0,0|2,0,1]=4 4 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O MCULE-7706960153 [1,0,0,0,0,0|2,0,1]=4 5 B11R0.28 CN(C)[C@@H](CCC(=O)O)C(=O)O MCULE-2784771552 [1,0,0,0,0,0|3,0,0]=4 6 B11R0.28 CN(C)[C@H](CCC(=O)O)C(=O)O MCULE-7024104536 [1,0,0,0,0,0|3,0,0]=4 7 B11R0.28 NC(=O)CCC(C(=O)O)C(=O)O MCULE-8933018983 [1,0,0,0,0,0|1,0,0]=2 8 B11R0.275 CCC(C[C@H](N)C(=O)O)C(=O)O MCULE-1744478562 [1,0,0,0,0,0|1,0,1]=3 9 B13R0.99 COC(=O)C(C)CC(C(=O)C)C(=O)C MCULE-5415220420 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.7553 CC1=C(C(=NO1)O)CC(N)C(=O)O MCULE-6459705040 [0,0,0,1,0,0|2,0,1]=4 11 B13R1.7553 CC1=C(C(=NO1)O)CC(N)C(=O)O MCULE-8572875801 [0,0,0,1,0,0|2,0,1]=4 12 B13R1.7553 CC1=C(C(=NO1)O)CC(N)C(=O)O MCULE-9236186759 [0,0,0,1,0,0|2,0,1]=4 13 B13R1.7553 CC1=C(C(=NO1)O)C[C@@H](N)C(=O)O MCULE-7430023902 [0,0,0,1,0,0|2,0,1]=4 14 B13R1.7553 CC1=C(C(=NO1)O)C[C@H](N)C(=O)O MCULE-5889895543 [0,0,0,1,0,0|2,0,1]=4 15 B13R1.7553 CC1=C(C(=O)NO1)C[C@@H](N)C(=O)O MCULE-2114190890 [0,0,0,1,0,0|2,0,1]=4 16 B13R1.7553 CC1=C(C(=O)NO1)C[C@H](N)C(=O)O MCULE-8287349358 [0,0,0,1,0,0|2,0,1]=4 17 B10R0.17 CCCCC(C(=O)O)C(=O)O MCULE-4493343687 [2,0,0,0,0,0|1,0,1]=4 18 B10R0.17 NCCCC(C(=O)O)C(=O)O MCULE-4043949471 [2,0,0,0,0,0|1,0,1]=4 19 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-7159441787 [2,0,0,0,0,0|2,0,0]=4 20 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-9982940361 [2,0,0,0,0,0|2,0,0]=4 21 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-1322979818 [2,0,0,0,0,0|2,0,0]=4 22 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-9405643691 [2,0,0,0,0,0|2,0,0]=4 23 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O MCULE-1735782000 [2,0,0,0,0,0|2,0,0]=4 24 B10R0.162 CC(C)CC(C(=O)O)C(=O)O MCULE-6373522873 [2,0,0,0,0,0|1,0,1]=4 25 B10R0.93 CC(CC(C)C(=O)O)C(=O)O MCULE-1153209267 [2,0,0,0,0,0|1,0,1]=4 26 B10R0.93 CC(CC(N)C(=O)O)C(=O)O MCULE-4117547649 [2,0,0,0,0,0|0,0,1]=3 27 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2754578678 [2,0,0,0,0,0|0,0,1]=3 28 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-7169309772 [2,0,0,0,0,0|0,0,1]=3 29 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6469307664 [2,0,0,0,0,0|2,0,0]=4 30 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6602424535 [2,0,0,0,0,0|2,0,0]=4 31 B10R0.93 NC(CC(F)C(=O)O)C(=O)O MCULE-9589470454 [2,0,0,0,0,0|1,0,0]=3 32 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-1335465688 [2,0,0,0,0,0|1,0,0]=3 33 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-4470732128 [2,0,0,0,0,0|1,0,0]=3 34 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MCULE-2122152001 [2,0,0,0,0,0|0,0,0]=2 35 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O MCULE-2625841366 [2,0,0,0,0,0|1,0,0]=3 36 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5445779612 [2,0,0,0,0,0|1,0,0]=3 37 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-9351036941 [2,0,0,0,0,0|1,0,0]=3 38 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-2660596864 [2,0,0,0,0,0|0,0,0]=2 39 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-6180379673 [2,0,0,0,0,0|0,0,0]=2 40 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-5145554613 [2,0,0,0,0,0|1,0,0]=3 41 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-9443069690 [2,0,0,0,0,0|1,0,0]=3 42 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2341577942 [2,0,0,0,0,0|1,0,0]=3 43 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-4495746010 [2,0,0,0,0,0|1,0,0]=3 44 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6284302068 [2,0,0,0,0,0|1,0,0]=3 45 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6384488635 [2,0,0,0,0,0|1,0,0]=3 46 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6724681365 [2,0,0,0,0,0|1,0,0]=3 47 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-8957870380 [2,0,0,0,0,0|1,0,0]=3 48 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-2217204949 [2,0,0,0,0,0|0,0,0]=2 49 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8271752005 [2,0,0,0,0,0|0,0,0]=2 50 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-3848928339 [2,0,0,0,0,0|1,0,0]=3 51 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-4424451348 [2,0,0,0,0,0|1,0,0]=3 52 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5729704628 [2,0,0,0,0,0|1,0,0]=3 53 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-8441844155 [2,0,0,0,0,0|1,0,0]=3 54 B10R0.93 N[C@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8040485498 [2,0,0,0,0,0|0,0,0]=2 55 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O MCULE-2429859248 [2,0,0,0,0,0|2,0,0]=4 56 B10R0.93 O=C(O)C(O)SC(O)C(=O)O MCULE-2925160633 [2,0,0,0,0,0|2,0,0]=4 57 B12R0.146 COC(=O)CCC(C(=O)C)C(=O)C MCULE-7659617447 [1,1,0,0,0,0|2,0,0]=4 58 B12R0.945 CC(=O)C(C)(C)C(C(=O)O)C(=O)O MCULE-8665516154 [0,1,0,0,1,0|2,0,0]=4 59 B12R1.895 CC1=NOC(=O)C1CCC(=O)O MCULE-9449017455 [1,0,0,1,0,0|2,0,0]=4 60 B12R1.1380 O=C(O)C1CC1(C(=O)O)C(=O)O MCULE-4833614903 [1,0,0,1,0,0|0,0,0]=2 61 B12R1.258 O=C(O)C1CCNC(C1)C(=O)O MCULE-5359047625 [1,0,0,1,0,0|1,0,1]=4 62 B12R1.258 O=C(O)[C@H]1CCN[C@H](C1)C(=O)O MCULE-6924240838 [1,0,0,1,0,0|1,0,1]=4 63 B12R1.3139 NC1(CCC(C1)C(=O)O)C(=O)O MCULE-1405417232 [1,0,0,1,0,0|1,0,1]=4 64 B12R1.3139 NC1(CNC(C1)C(=O)O)C(=O)O MCULE-9527310205 [1,0,0,1,0,0|2,0,0]=4 65 B12R1.3139 N[C@@]1(CC[C@@H](C1)C(=O)O)C(=O)O MCULE-4408926373 [1,0,0,1,0,0|1,0,1]=4 66 B12R1.3139 N[C@@]1(CC[C@H](C1)C(=O)O)C(=O)O MCULE-1742292303 [1,0,0,1,0,0|1,0,1]=4 67 B12R1.3139 N[C@@]1(CC[C@H](C1)C(=O)O)C(=O)O MCULE-7896712617 [1,0,0,1,0,0|1,0,1]=4 68 B12R1.3139 N[C@]1(CC[C@H](C1)C(=O)O)C(=O)O MCULE-3448887245 [1,0,0,1,0,0|1,0,1]=4 69 B12R1.3139 N[C@]1(CN[C@H](C1)C(=O)O)C(=O)O MCULE-2628622202 [1,0,0,1,0,0|2,0,0]=4 70 B12R1.3139 [C@@H]1(CC[C@](C1)(N)C(=O)O)C(=O)O MCULE-1860669337 [1,0,0,1,0,0|1,0,1]=4 71 B14R1.16679 N[C@H](C(=O)O)C1[C@H]([C@@H]1C(=O)O)C(=O)O MCULE-7992438283 [0,0,0,1,0,1|0,0,0]=2 72 B12R0.138 CC(=O)NC(CCC(=O)N)C(=O)O MCULE-1934887222 [1,0,0,0,0,1|2,0,0]=4 73 B12R0.138 CC(=O)NC(CCC(=O)O)C(=O)O MCULE-4246221126 [1,0,0,0,0,1|1,0,0]=3 74 B12R0.138 CC(=O)NC(CCC(=O)O)C(=O)[O-] MCULE-6926285845 [1,0,0,0,0,1|1,0,1]=4 75 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-6381531194 [1,0,0,0,0,1|2,0,0]=4 76 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-7631228514 [1,0,0,0,0,1|2,0,0]=4 77 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)N MCULE-8357951336 [1,0,0,0,0,1|2,0,0]=4 78 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2229199971 [1,0,0,0,0,1|1,0,0]=3 79 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6828522418 [1,0,0,0,0,1|1,0,0]=3 80 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-5623672193 [1,0,0,0,0,1|1,0,0]=3 81 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-6007670614 [1,0,0,0,0,1|1,0,0]=3 82 B12R0.138 N=C(N)NC(CCC(=O)O)C(=O)O MCULE-3525474442 [1,0,0,0,0,1|2,0,0]=4 83 B12R0.138 N=C(N)N[C@@H](CCC(=O)O)C(=O)O MCULE-2134783627 [1,0,0,0,0,1|2,0,0]=4 84 B12R0.138 N=C(N)N[C@@H](CCC(=O)O)C(=O)O MCULE-2158448069 [1,0,0,0,0,1|2,0,0]=4 85 B12R0.138 NC(=O)CCC(NC(=O)N)C(=O)O MCULE-8108551403 [1,0,0,0,0,1|2,0,0]=4 86 B12R0.138 NC(=O)NC(CCC(=O)O)C(=O)O MCULE-3205173370 [1,0,0,0,0,1|1,0,0]=3 87 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6817913906 [1,0,0,0,0,1|1,0,0]=3 88 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8310604508 [1,0,0,0,0,1|1,0,0]=3 89 B12R0.138 O=C(O)C/C=C(\CC(=O)O)/C(=O)O MCULE-2192027081 [1,0,0,0,0,1|0,0,2]=4 90 B12R0.138 O=C(O)CC=C(CC(=O)O)C(=O)O MCULE-5009214475 [1,0,0,0,0,1|0,0,2]=4 91 B12R0.138 O=C(O)CCC(CC(=O)O)C(=O)O MCULE-2741994268 [1,0,0,0,0,1|0,0,0]=2 92 B12R0.138 O=C(O)CSC(CC(=O)O)C(=O)O MCULE-6689291865 [1,0,0,0,0,1|1,0,0]=3 93 B12R0.138 [C@@H](CCC(=O)O)(NC(=O)C)C(=O)O MCULE-7234857249 [1,0,0,0,0,1|1,0,0]=3 94 B12R0.43 C=C(C(=O)O)C(CC(=O)O)C(=O)O MCULE-2499412105 [0,0,0,0,1,1|1,0,1]=4 95 B12R0.43 O=C(O)CC(C(=O)O)C(O)C(=O)O MCULE-1207186330 [0,0,0,0,1,1|1,0,0]=3 96 B12R0.43 O=C(O)CC(C(=O)O)C(O)C(=O)[O-] MCULE-3358127861 [0,0,0,0,1,1|1,0,1]=4 97 B12R0.43 O=C(O)C[C@@H](C(=O)[O-])[C@@H](O)C(=O)O MCULE-6280875375 [0,0,0,0,1,1|1,0,1]=4 98 B12R0.43 O=C(O)C[C@@H](C(=O)[O-])[C@@H](O)C(=O)O MCULE-9197214556 [0,0,0,0,1,1|1,0,1]=4 99 B14R0.905 N[C@@H](CSC(CC(=O)O)C(=O)O)C(=O)O MCULE-9654691808 [0,0,0,0,0,2|0,0,0]=2