0 B9R0.39 CC(=O)NC(CO)C(=O)O Z239132792 [0,0,0,0,0,0|1,1,0]=2 1 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Z1143441555 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.39 CCC(NC(=O)N)C(=O)O Z90663559 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.39 CCC(NC(C)C)C(=O)O Z2306604116 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.39 N=C(N)NC(CS)C(=O)O Z1262518379 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.39 NC(=O)NC(CO)C(=O)O Z57009601 [0,0,0,0,0,0|2,1,0]=3 7 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [1,0,0,0,0,0|1,1,1]=4 10 B8R0.16 CC(=O)NC(CO)CO Z1203731713 [1,0,0,0,0,0|0,1,2]=4 11 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.23 CN(CC(=O)O)C(=O)N Z126513734 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [1,0,0,0,0,0|3,0,0]=4 22 B10R0.23 C=CCC(NC(=O)C)C(=O)O Z432087554 [0,1,0,0,0,0|2,0,0]=3 23 B10R0.23 CCCC(NC(=O)C)C(=O)O Z444320916 [0,1,0,0,0,0|2,0,0]=3 24 B10R0.23 CCCC(NC(=O)N)C(=O)O Z444323704 [0,1,0,0,0,0|3,0,0]=4 25 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O Z1262552685 [0,1,0,0,0,0|3,0,0]=4 26 B10R0.95 CS(=O)(=O)N[C@@H](CO)C(=O)O Z756471904 [0,1,0,0,0,0|2,1,0]=4 27 B10R0.162 CC(=O)NC(C(=O)O)C(C)C Z56346999 [0,1,0,0,0,0|2,0,0]=3 28 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C Z57032483 [0,1,0,0,0,0|2,0,0]=3 29 B10R0.162 CC(C)C(NC(=O)N)C(=O)O Z56862686 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.59 CC1CC(=O)NC1C(=O)O Z1198179510 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.59 CC1OC(=O)NC1C(=O)O Z1203735062 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.64 CC(=O)NC1CCSC1=O Z995084668 [0,0,0,1,0,0|2,0,0]=3 33 B10R1.113 C[C@H]1COC[C@H](N1)C(=O)N Z2379579403 [0,0,0,1,0,0|1,1,1]=4 34 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,0,0,1,0,0|2,0,0]=3 35 B10R1.113 O=C1CSCC(N1)C(=O)O Z359515788 [0,0,0,1,0,0|1,0,0]=2 36 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.359 CC1(NC(CS1)C(=O)O)C Z111883472 [0,0,0,1,0,0|2,0,1]=4 38 B10R1.361 NC(=O)C1CCC1C(=O)O Z1203638038 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.442 CC(=O)CC1(CC1)C(=O)O Z2732453061 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.442 CC(=O)NC1(CC1)C(=O)O Z1205494618 [0,0,0,1,0,0|2,0,0]=3 41 B10R1.442 NC(=O)NC1(CC1)C(=O)O Z1203590286 [0,0,0,1,0,0|3,0,0]=4 42 B8R0.18 CCC(C(=O)C)C(=O)C Z119984130 [0,0,0,0,1,0|2,0,0]=3 43 B7R0.5 CC(NC=O)C(=O)O Z56757230 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.5 CCNC(C)C(=O)O Z3181996310 [2,0,0,0,0,0|1,0,1]=4 45 B7R0.15 CCC(CC)C(=O)N Z365255920 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.15 CCC(NC)C(=O)O Z818727142 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.15 CNC(CN)C(=O)O Z1982493964 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.2 CC(=O)NC(=O)CCl Z56911971 [2,0,0,0,0,0|1,0,1]=4 49 B7R0.6 CC(=O)CCC(=O)O Z104477318 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.6 CC(=O)NCC(=O)O Z85886676 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.6 CC(=O)OCC(=S)N Z411884132 [2,0,0,0,0,0|1,1,0]=4 52 B7R0.6 CC(C)NCC(=O)N Z56969693 [2,0,0,0,0,0|1,0,1]=4 53 B7R0.6 NC(=O)NCC(=O)O Z57009586 [2,0,0,0,0,0|2,0,0]=4 54 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.11 CC(=O)NC(C)(C)C(=O)O Z801820486 [1,1,0,0,0,0|1,0,0]=3 56 B9R0.23 COC(=O)C(C)CC(=O)C Z838956118 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.42 CC(NC(=O)CCl)C(=O)O Z235363005 [1,1,0,0,0,0|1,0,0]=3 58 B9R0.42 CCC(=O)NC(C)C(=O)O Z239130514 [1,1,0,0,0,0|1,0,0]=3 59 B9R0.42 CNC(=O)NC(C)C(=O)O Z223131756 [1,1,0,0,0,0|1,0,0]=3 60 B9R0.57 CC(NS(=O)(=O)C)C(=O)O Z45674775 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.57 C[C@H](NS(=O)(=O)C)C(=O)O Z115596342 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.76 CCC(C)(C(=O)N)C(=O)O Z1203588411 [0,1,0,0,1,0|2,0,0]=4 63 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O Z98656805 [0,2,0,0,0,0|2,0,0]=4 64 B11R0.115 CNC(=O)C(NC(=O)C)C(C)C Z32015730 [0,2,0,0,0,0|1,0,0]=3 65 B11R0.160 COCCC(NC(=O)C)C(=O)O Z979419978 [0,2,0,0,0,0|1,1,0]=4 66 B11R0.160 CSCCC(NC(=O)C)C(=O)O Z85883131 [0,2,0,0,0,0|1,0,0]=3 67 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)O Z756444180 [0,2,0,0,0,0|1,0,0]=3 68 B11R0.236 CCC[C@@H](NC(=O)CN)C(=O)O Z3542998518 [0,2,0,0,0,0|2,0,0]=4 69 B11R0.108 CC(=O)C(NC(=O)CCl)C(C)C Z220565318 [0,2,0,0,0,0|2,0,0]=4 70 B11R0.108 CC(C)C(NC(=O)CCl)C(=O)O Z56968783 [0,2,0,0,0,0|2,0,0]=4 71 B11R0.108 COC(=O)NC(C(=O)O)C(C)C Z319610370 [0,2,0,0,0,0|2,0,0]=4 72 B11R0.108 COC(=O)N[C@H](C(=O)O)C(C)C Z756432044 [0,2,0,0,0,0|2,0,0]=4 73 B11R0.427 CC(=O)NC(C)(C(=O)O)C(C)C Z1147230513 [0,2,0,0,0,0|2,0,0]=4 74 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)C Z220518606 [0,2,0,0,0,0|2,0,0]=4 75 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)S Z239134016 [0,2,0,0,0,0|1,0,0]=3 76 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [1,0,0,1,0,0|1,0,1]=4 77 B9R1.6 NC(=O)C1CNCCN1 Z203041340 [1,0,0,1,0,0|1,0,1]=4 78 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [1,0,0,1,0,0|0,0,1]=3 79 B9R1.15 CCC1NCCNC1=O Z57663834 [1,0,0,1,0,0|1,0,1]=4 80 B9R1.22 CCC1NC(=O)NC1=O Z270832922 [1,0,0,1,0,0|1,0,0]=3 81 B9R1.22 NCC1NC(=O)NC1=O Z5935085403 [1,0,0,1,0,0|1,0,0]=3 82 B9R1.22 O=C1NC(=O)C(N1)CO Z425453006 [1,0,0,1,0,0|0,1,0]=3 83 B9R1.22 O=C1NC(=O)C(N1)CS Z235339363 [1,0,0,1,0,0|0,0,0]=2 84 B9R1.22 O=C1NC(=O)[C@@H](N1)CO Z1203747347 [1,0,0,1,0,0|0,1,0]=3 85 B9R1.33 CCNC1CCNC1=O Z1998636522 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.35 NC(=O)C1CNC(=O)C1 Z57248576 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [1,0,0,1,0,0|1,1,0]=4 93 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [1,0,0,1,0,0|1,0,0]=3 94 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [1,0,0,1,0,0|1,0,0]=3 96 B9R1.2 O=C1CNC[C@@H](N1)CO Z1203822229 [1,0,0,1,0,0|0,1,1]=4 97 B9R1.2 O=C1CNC[C@H](N1)CO Z1203822228 [1,0,0,1,0,0|0,1,1]=4 98 B9R1.69 CC1NC(=O)CCC1N Z1509112048 [1,0,0,1,0,0|1,0,1]=4 99 B9R1.69 CC1NC(=O)COC1=O Z1203734682 [1,0,0,1,0,0|1,0,0]=3 100 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.27 CCN1C(=O)CNC1=O Z54530685 [0,0,0,1,1,0|2,0,0]=4 102 B9R1.168 NC(=O)C1(CC1)C(=O)O Z951182684 [0,0,0,1,1,0|2,0,0]=4 103 B11R1.157 CC(=O)CC1CCCC(=O)N1 Z2301684556 [0,0,0,1,0,1|2,0,0]=4 104 B11R1.157 O=C(O)CC1CCCC(=O)N1 Z1255458725 [0,0,0,1,0,1|2,0,0]=4 105 B11R1.175 CC(=O)N1CCC(C1)C(=O)O Z1078654182 [0,0,0,1,0,1|2,0,0]=4 106 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [0,1,0,1,0,0|2,0,0]=4 107 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Z1078490036 [0,1,0,1,0,0|2,0,0]=4 108 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Z85923459 [0,1,0,1,0,0|2,0,0]=4 109 B11R1.178 CC(=O)N1CSCC1C(=O)O Z316101354 [0,1,0,1,0,0|1,0,0]=3 110 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [0,1,0,1,0,0|2,0,0]=4 111 B11R1.228 O=C(CCl)NC1CCSC1=O Z561159788 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.23 COC(=O)C1CCCC(=O)N1 Z1198314890 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.159 CN1C(=O)CCCC1C(=O)O Z1262558916 [0,1,0,1,0,0|2,0,0]=4 114 B11R2.612 O=C1N[C@H]([C@@H]2[C@H]1C2)C(=O)O Z3638167617 [0,0,0,2,0,0|2,0,0]=4 115 B11R2.42 O=C1CC2(C1)CCNC2=O Z2681264974 [0,0,0,2,0,0|2,0,0]=4 116 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [1,0,0,0,1,0|1,0,0]=3 117 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [1,0,0,0,1,0|2,0,0]=4 118 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [1,0,0,0,1,0|1,0,0]=3 119 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [1,0,0,0,1,0|2,0,0]=4 120 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [1,0,0,0,1,0|2,0,0]=4 121 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [1,0,0,0,1,0|2,0,0]=4 122 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [1,0,0,0,0,1|2,0,0]=4