0 B11R0.29 CC(=CCSCC(N)C(=O)O)C Z317025846 [0,0,0,0,0,0|3,0,0]=3 1 B11R0.29 CC(=CCSC[C@H](N)C(=O)O)C Z760035506 [0,0,0,0,0,0|3,0,0]=3 2 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O Z3661982306 [0,0,0,0,0,0|1,0,0]=1 3 B11R0.29 N=C(N)NCCCC(=O)C(=O)O Z1262513238 [0,0,0,0,0,0|2,0,1]=3 4 B11R0.29 N=C(N)NCCCC(N)C(=O)O Z56896349 [0,0,0,0,0,0|1,0,0]=1 5 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Z1201618596 [0,0,0,0,0,0|1,0,0]=1 6 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Z1143220275 [0,0,0,0,0,0|1,0,0]=1 7 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O Z1255438848 [0,0,0,0,0,0|1,0,1]=2 8 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Z1198149761 [0,0,0,0,0,0|1,0,1]=2 9 B10R0.75 CCCCCCC(C)C(=O)O Z756390482 [1,0,0,0,0,0|2,0,1]=4 10 B10R0.97 CC(=O)NCCOCC(=O)O Z1323534045 [1,0,0,0,0,0|2,0,0]=3 11 B10R0.97 CC(C)CCCCCC(=O)O Z1198149402 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.97 NC(=O)NCCCCC(=O)O Z90663560 [1,0,0,0,0,0|1,0,1]=3 13 B10R0.97 O=C(O)CCCCCC(=O)O Z104495338 [1,0,0,0,0,0|3,0,0]=4 14 B12R0.692 CC(=O)NCCNC(C)(C)C(=O)O Z2686595561 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.104 N[C@@H](CC1=CNC(=N1)S)C(=O)O Z1198148773 [0,0,0,1,0,0|1,0,2]=4 16 B12R1.104 N[C@H](CC1=CNC(=N1)S)C(=O)O Z1198234492 [0,0,0,1,0,0|1,0,2]=4 17 B12R1.258 CC(=O)N1CCCC(C1)C(=O)N Z220816104 [0,0,0,1,0,0|3,0,0]=4 18 B12R1.258 CC(=O)N1CCCC(C1)C(=O)O Z85893766 [0,0,0,1,0,0|2,0,0]=3 19 B12R1.258 CC(=O)N1CCOC(C1)C(=O)O Z854090784 [0,0,0,1,0,0|3,0,0]=4 20 B12R1.258 CC(C)N1CCCC(C1)C(=O)O Z1695972376 [0,0,0,1,0,0|2,0,1]=4 21 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O Z104510598 [0,0,0,1,0,0|2,0,1]=4 22 B10R0.98 CC(C)CCCC(N)C(=O)O Z2855996233 [0,0,0,0,1,0|1,0,1]=3 23 B10R0.98 CC(N)CCCC(C)C(=O)O Z1258848487 [0,0,0,0,1,0|1,0,2]=4 24 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O Z1222399234 [0,0,0,0,1,0|3,0,0]=4 25 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O Z1255486317 [0,0,0,0,1,0|2,0,0]=3 26 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O Z3466304206 [0,0,0,0,0,1|1,0,1]=3 27 B9R0.2 CCCCCCCC(=O)O Z104495238 [2,0,0,0,0,0|1,0,1]=4 28 B9R0.2 CCNCCCCC(=O)O Z2893830564 [2,0,0,0,0,0|0,0,1]=3 29 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [2,0,0,0,0,0|0,0,2]=4 30 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [2,0,0,0,0,0|0,0,1]=3 31 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [2,0,0,0,0,0|1,0,1]=4 32 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [2,0,0,0,0,0|1,0,1]=4 33 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [2,0,0,0,0,0|1,0,0]=3 34 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [2,0,0,0,0,0|1,0,0]=3 35 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [2,0,0,0,0,0|0,0,2]=4 36 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [2,0,0,0,0,0|0,0,2]=4 37 B11R0.76 CCCCCCC(NC)C(=O)O Z446011802 [1,1,0,0,0,0|1,0,1]=4 38 B11R0.125 CCCCCCC(C)(N)C(=O)O Z362825342 [1,1,0,0,0,0|1,0,1]=4 39 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O Z1741979091 [1,1,0,0,0,0|0,0,2]=4 40 B11R0.6 CC(=CCCC(C)CC(=O)O)C Z1255423445 [1,1,0,0,0,0|2,0,0]=4 41 B11R0.202 CN(C)CCCC(C)(N)C(=O)O Z2418411247 [0,1,0,0,1,0|2,0,0]=4 42 B11R1.266 CC(=O)N1CCCC(C1)C=O Z1198307017 [1,0,0,1,0,0|2,0,0]=4 43 B11R1.35 NC(CC1=CNC=N1)C(=O)O Z1259162152 [1,0,0,1,0,0|0,0,2]=4 44 B11R1.35 NC(CC1=NNC=N1)C(=O)O Z3479679094 [1,0,0,1,0,0|1,0,1]=4 45 B11R1.35 NC(CC1CCCC1)C(=O)O Z1558210079 [1,0,0,1,0,0|1,0,1]=4 46 B11R1.35 NC(CC1CCOC1)C(=O)O Z2740400903 [1,0,0,1,0,0|1,0,1]=4 47 B11R1.35 NC(CC1CCSC1)C(=O)O Z3465027322 [1,0,0,1,0,0|1,0,1]=4 48 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O Z359369984 [1,0,0,1,0,0|0,0,2]=4 49 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O Z1079168982 [1,0,0,1,0,0|0,0,2]=4 50 B11R1.36 CC(C(=O)O)C1CCNCC1 Z3244908692 [1,0,0,1,0,0|1,0,1]=4 51 B11R1.36 NC(C(=O)O)C1CC=CCC1 Z3562671618 [1,0,0,1,0,0|1,0,0]=3 52 B11R1.36 NC(C(=O)O)C1CCCCC1 Z752370756 [1,0,0,1,0,0|1,0,1]=4 53 B11R1.36 NC(C(=O)O)C1CCOCC1 Z2895181969 [1,0,0,1,0,0|1,0,1]=4 54 B11R1.36 O=C(O)C(F)C1CCNCC1 Z2733346658 [1,0,0,1,0,0|1,0,1]=4 55 B11R1.36 O=C(O)C(O)C1CCNCC1 Z3045554278 [1,0,0,1,0,0|1,0,1]=4 56 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [1,0,0,1,0,0|2,0,0]=4 57 B11R1.520 CC1(CCCNC1=O)C(=O)O Z1262521202 [1,0,0,1,0,0|2,0,0]=4 58 B11R1.520 CC1CCCCC1(N)C(=O)O Z317024760 [1,0,0,1,0,0|1,0,1]=4 59 B11R1.706 O=C(O)C1CCCCCCN1 Z1998612770 [1,0,0,1,0,0|1,0,1]=4 60 B11R1.737 NC1(CCCCCC1)C(=O)O Z317024840 [1,0,0,1,0,0|1,0,1]=4 61 B11R1.157 O=C(O)CC1CCCC(=O)C1 Z907709938 [1,0,0,1,0,0|2,0,0]=4 62 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Z1078490036 [1,0,0,1,0,0|1,0,0]=3 63 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Z85923459 [1,0,0,1,0,0|1,0,0]=3 64 B11R1.178 CC(=O)N1CSCC1C(=O)O Z316101354 [1,0,0,1,0,0|2,0,0]=4 65 B11R1.178 CC(C)N1CCCC1C(=O)O Z424762070 [1,0,0,1,0,0|1,0,1]=4 66 B11R1.178 NC(=O)N1CCCC1C(=O)O Z56889385 [1,0,0,1,0,0|1,0,1]=4 67 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O Z360054132 [1,0,0,1,0,0|1,0,1]=4 68 B11R1.234 CC1(NCCC1CC(=O)O)C Z3410232929 [1,0,0,1,0,0|1,0,1]=4 69 B11R1.175 CC(=O)N1CCC(C1)C(=O)O Z1078654182 [0,0,0,1,1,0|2,0,0]=4 70 B11R1.667 CC1CCCC(C1)(N)C(=O)O Z317024768 [0,0,0,1,1,0|1,0,1]=4 71 B11R1.1386 CC1(CCCC1(N)C(=O)O)C Z1198173988 [0,0,0,1,1,0|1,0,1]=4 72 B13R1.543 CCC(=O)N1CCCC(C1)C(=O)O Z85893805 [0,1,0,1,0,0|2,0,0]=4 73 B13R1.543 COC(=O)N1CCCC(C1)C(=O)O Z192960162 [0,1,0,1,0,0|2,0,0]=4 74 B13R1.543 COC(=O)[C@@H]1CCC[C@@H](N1)C(=O)O Z4613327913 [0,1,0,1,0,0|2,0,0]=4 75 B13R1.585 CC(=O)N[C@H]1CC[C@@H](CC1)C(=O)O Z1262518864 [0,1,0,1,0,0|2,0,0]=4 76 B13R1.585 CC(=O)N[C@H]1CC[C@H](CC1)C(=O)O Z1262518865 [0,1,0,1,0,0|2,0,0]=4 77 B13R1.8780 CC(=O)N1CCCC(C1)(O)C(=O)O Z2049876225 [0,1,0,1,0,0|2,0,0]=4 78 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,0,0,0,2,0|1,0,1]=4 79 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,0,0,0,2,0|1,0,0]=3 80 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,0,0,0,2,0|1,0,1]=4 81 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,0,0,0,2,0|2,0,0]=4 82 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,0,0,0,2,0|1,0,1]=4 83 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,0,0,0,2,0|1,0,1]=4 84 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,0,0,0,2,0|1,0,1]=4 85 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,0,0,0,2,0|2,0,0]=4 86 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,0,0,0,2,0|2,0,0]=4 87 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,0,0,0,2,0|2,0,0]=4 88 B11R0.30 CC(=O)CCCCCCC(=O)O Z1262510893 [1,0,0,0,0,1|2,0,0]=4 89 B11R0.30 CC(=O)NCCCCCC(=O)N Z68591091 [1,0,0,0,0,1|2,0,0]=4 90 B11R0.30 CC(=O)NCCCCCC(=O)O Z56914861 [1,0,0,0,0,1|1,0,0]=3 91 B11R0.30 NC(=O)NCCCCCC(=O)O Z90122369 [1,0,0,0,0,1|1,0,1]=4