0 B9R0.13 CCC(CCOC)C(=O)O Z756391352 [1,0,0,0,0,0|1,1,1]=4 1 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [1,0,0,0,0,0|2,0,1]=4 2 B9R0.13 COC(CCSC)C(=O)O Z1592680734 [1,0,0,0,0,0|1,0,1]=3 3 B9R0.15 CCCC(CCC)C(=O)O Z756391526 [1,0,0,0,0,0|2,0,1]=4 4 B11R0.38 COC(=O)C(CCSC)N=C=S Z104508612 [0,1,0,0,0,0|0,1,2]=4 5 B11R0.160 CCCCC(NC(=O)N)C(=O)O Z425424974 [0,1,0,0,0,0|1,0,0]=2 6 B11R0.160 COCCC(NC(=O)C)C(=O)O Z979419978 [0,1,0,0,0,0|0,1,0]=2 7 B11R0.160 CSCCC(NC(=O)C)C(=O)O Z85883131 [0,1,0,0,0,0|0,0,0]=1 8 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)O Z756444180 [0,1,0,0,0,0|0,0,0]=1 9 B11R1.21 CC1=C(CC(CC1)C(=O)O)C Z1198156483 [0,0,0,1,0,0|3,0,0]=4 10 B11R1.21 CC1CCC(NC1C)C(=O)O Z2350909288 [0,0,0,1,0,0|2,0,1]=4 11 B11R1.48 CCN1CC(CC1=O)C(=O)O Z111495996 [0,0,0,1,0,0|3,0,0]=4 12 B11R1.48 CON1CC(CC1=O)C(=O)O Z1649358097 [0,0,0,1,0,0|2,1,0]=4 13 B11R1.53 CCN1CCCCC1C(=O)O Z803129924 [0,0,0,1,0,0|2,0,1]=4 14 B11R1.53 O=CC1=CNCCC1C(=O)O Z3469696901 [0,0,0,1,0,0|2,0,1]=4 15 B11R1.53 O=NN1CCCCC1C(=O)O Z1198157894 [0,0,0,1,0,0|2,0,0]=3 16 B11R1.193 CCCC1CCNC1C(=O)O Z2217033073 [0,0,0,1,0,0|2,0,1]=4 17 B11R1.230 CCCCC1NC(=O)NC1=O Z425426760 [0,0,0,1,0,0|2,0,0]=3 18 B11R1.230 CSCCC1NC(=O)NC1=O Z56867181 [0,0,0,1,0,0|1,0,0]=2 19 B11R1.230 CSCCC1OC(=NC1=O)N Z1650170326 [0,0,0,1,0,0|3,0,0]=4 20 B11R1.230 NCCC[C@@H]1NC(=O)NC1=O Z3069319230 [0,0,0,1,0,0|3,0,0]=4 21 B11R1.266 COC1CCNC(C1)C(=O)O Z2768171860 [0,0,0,1,0,0|1,1,1]=4 22 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [0,0,0,1,0,0|1,0,0]=2 23 B11R1.706 O=C(O)C1CCCCCCN1 Z1998612770 [0,0,0,1,0,0|2,0,1]=4 24 B11R1.1239 O=CNC1(CCCC1)C(=O)O Z760037150 [0,0,0,1,0,0|1,0,0]=2 25 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [2,0,0,0,0,0|1,0,1]=4 27 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [2,0,0,0,0,0|1,0,1]=4 28 B8R0.8 CCCCC(C)C(=O)O Z756390480 [2,0,0,0,0,0|1,0,1]=4 29 B8R0.8 CCCCC(N)C(=O)O Z57127434 [2,0,0,0,0,0|1,0,0]=3 30 B8R0.8 CCCCC(O)C(=O)O Z803065156 [2,0,0,0,0,0|1,0,1]=4 31 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [2,0,0,0,0,0|1,0,0]=3 32 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [2,0,0,0,0,0|1,0,0]=3 33 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.8 COCCC(C)C(=O)O Z756390554 [2,0,0,0,0,0|0,1,1]=4 35 B8R0.8 COCCC(N)C(=O)O Z317025018 [2,0,0,0,0,0|0,1,0]=3 36 B8R0.8 CSCCC(N)C(=O)O Z57127440 [2,0,0,0,0,0|0,0,0]=2 37 B8R0.8 CSCCC(O)C(=O)O Z788000926 [2,0,0,0,0,0|0,0,1]=3 38 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [2,0,0,0,0,0|0,0,0]=2 39 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [2,0,0,0,0,0|0,0,0]=2 40 B8R0.8 NCCCC(N)C(=O)O Z104476736 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [2,0,0,0,0,0|2,0,0]=4 42 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [2,0,0,0,0,0|2,0,0]=4 43 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [2,0,0,0,0,0|1,1,0]=4 44 B8R0.15 CCCC(CC)C(=O)O Z756391368 [2,0,0,0,0,0|1,0,1]=4 45 B8R0.15 CCCC(CN)C(=O)O Z970060188 [2,0,0,0,0,0|1,0,1]=4 46 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [2,0,0,0,0,0|1,0,1]=4 48 B8R0.15 CNC(COC)C(=O)O Z1250132318 [2,0,0,0,0,0|0,1,1]=4 49 B10R0.17 CSCCC(C(=O)O)N(C)C Z565906654 [1,1,0,0,0,0|0,0,1]=3 50 B10R0.17 NCCCC(C(=O)O)C(=O)O Z3379289602 [1,1,0,0,0,0|2,0,0]=4 51 B10R0.85 CNC(CCSC)C(=O)OC Z3899878399 [1,1,0,0,0,0|0,0,1]=3 52 B10R0.23 C=CCC(CC(C)C)C(=O)O Z1262513795 [1,1,0,0,0,0|2,0,0]=4 53 B10R0.23 C=CCC(NC(=O)C)C(=O)O Z432087554 [1,1,0,0,0,0|0,0,2]=4 54 B10R0.23 CCCC(NC(=O)C)C(=O)O Z444320916 [1,1,0,0,0,0|0,0,0]=2 55 B10R0.23 CCCC(NC(=O)N)C(=O)O Z444323704 [1,1,0,0,0,0|0,0,0]=2 56 B10R0.23 CCCC(NC(C)C)C(=O)O Z1665263806 [1,1,0,0,0,0|1,0,1]=4 57 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O Z1262552685 [1,1,0,0,0,0|0,0,0]=2 58 B12R0.138 CC(=O)NC(CCC(=O)N)C(=O)O Z85900147 [0,2,0,0,0,0|2,0,0]=4 59 B12R0.138 CC(=O)NC(CCC(C)C)C(=O)O Z1201004109 [0,2,0,0,0,0|1,0,0]=3 60 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O Z756456072 [0,2,0,0,0,0|2,0,0]=4 61 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O Z98654650 [0,2,0,0,0,0|2,0,0]=4 62 B12R0.138 NC(=O)NC(CCC(=O)O)C(=O)O Z57009566 [0,2,0,0,0,0|2,0,0]=4 63 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O Z756468010 [0,2,0,0,0,0|2,0,0]=4 64 B12R0.151 COC(=O)C[C@H](NC(=O)C)C(=O)O Z1123702071 [0,2,0,0,0,0|0,1,1]=4 65 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [1,0,0,1,0,0|2,0,0]=4 66 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [1,0,0,1,0,0|1,0,1]=4 67 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [1,0,0,1,0,0|1,0,1]=4 68 B10R1.19 O=CC1CCCCCC1=O Z854045270 [1,0,0,1,0,0|2,0,0]=4 69 B10R1.31 CC[C@@H]1CN[C@@H](C1)C(=O)O Z3490158686 [1,0,0,1,0,0|1,0,1]=4 70 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O Z1203733743 [1,0,0,1,0,0|0,1,1]=4 71 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O Z1203732431 [1,0,0,1,0,0|0,1,1]=4 72 B10R1.61 CN1CCCCC1C(=O)O Z1259339901 [1,0,0,1,0,0|1,0,1]=4 73 B10R1.61 CN1CCCC[C@@H]1C(=O)O Z1205493960 [1,0,0,1,0,0|1,0,1]=4 74 B10R1.61 CN1CCCC[C@H]1C(=O)O Z1205494199 [1,0,0,1,0,0|1,0,1]=4 75 B10R1.194 CN1CCC(C1=O)C(=O)O Z1205494535 [1,0,0,1,0,0|1,0,0]=3 76 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [1,0,0,1,0,0|1,0,1]=4 77 B10R1.477 CNC1(CCCC1)C(=O)O Z446011232 [1,0,0,1,0,0|1,0,1]=4 78 B10R1.477 COC1(CCSC1)C(=O)O Z803492126 [1,0,0,1,0,0|1,0,1]=4 79 B10R1.39 CCC1CCNC1C(=O)O Z1262517253 [1,0,0,1,0,0|1,0,1]=4 80 B10R1.39 O=CC1=CCCC1C(=O)O Z1205494639 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.39 O=NN1CCC[C@H]1C(=O)O Z1198157871 [1,0,0,1,0,0|1,0,0]=3 82 B10R1.58 CN1CC(CC1=O)C(=O)O Z57472350 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.58 CN1CC(NC1=O)C(=O)O Z1203832385 [1,0,0,1,0,0|1,0,0]=3 84 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [1,0,0,1,0,0|1,0,1]=4 85 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [1,0,0,1,0,0|1,0,1]=4 86 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [1,0,0,1,0,0|2,0,0]=4 87 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [1,0,0,1,0,0|0,0,0]=2 88 B10R1.113 O=C1CSCC(N1)C(=O)O Z359515788 [1,0,0,1,0,0|0,0,0]=2 89 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [1,0,0,1,0,0|0,1,0]=3 90 B10R1.130 CCCC1NC(=O)NC1=O Z104495354 [1,0,0,1,0,0|1,0,0]=3 91 B10R1.130 CSCC1NC(=O)NC1=O Z1262692662 [1,0,0,1,0,0|1,0,0]=3 92 B10R1.130 O=C1NC(=O)C(N1)CCS Z228588820 [1,0,0,1,0,0|1,0,0]=3 93 B10R1.381 C=CCC1(CCC1)C(=O)O Z1205495475 [1,0,0,1,0,0|2,0,0]=4 94 B12R1.874 O=C(O)CC1CCCCC(=O)N1 Z1262554304 [0,0,0,1,0,1|1,0,0]=3 95 B12R1.274 CCCN1CC(CC1=O)C(=O)O Z111495998 [0,1,0,1,0,0|2,0,0]=4 96 B12R1.1011 O=C1CCCCCC(C1)C(=O)O Z1262523591 [0,1,0,1,0,0|2,0,0]=4 97 B12R1.1274 CC1(SC[C@@H](NC1=O)C(=O)O)C Z235343043 [0,1,0,1,0,0|2,0,0]=4 98 B12R1.11 CC[C@@H]1C[C@@H](CC(=O)N1)C(=O)O Z3826900536 [0,1,0,1,0,0|2,0,0]=4 99 B12R1.261 CC(=O)N1CCCCC1C(=O)O Z85895893 [0,1,0,1,0,0|1,0,0]=3 100 B12R1.261 CC(=O)N1CCOCC1C(=O)O Z1258978283 [0,1,0,1,0,0|2,0,0]=4 101 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Z1955831204 [0,1,0,1,0,0|2,0,0]=4 102 B12R1.261 O=C(O)C1CCNCC1C(=O)O Z1655104197 [0,1,0,1,0,0|2,0,0]=4 103 B12R1.3171 CC(=O)CC1(CCCC1)C(=O)O Z2732506929 [0,1,0,1,0,0|2,0,0]=4 104 B12R1.3171 CC(=O)NC1(CCCC1)C(=O)O Z234898151 [0,1,0,1,0,0|1,0,0]=3 105 B12R1.3171 O=C(O)CC1(CCCC1)C(=O)O Z1198154424 [0,1,0,1,0,0|2,0,0]=4 106 B12R1.3171 O=C(O)CC1(CCNC1)C(=O)O Z1508910011 [0,1,0,1,0,0|2,0,0]=4 107 B12R1.2261 CCCCC1(NC(=O)NC1=O)C Z56867251 [0,1,0,1,0,0|2,0,0]=4 108 B12R2.765 O=C1N[C@H]([C@H]2[C@@H]1CC2)C(=O)O Z3481903640 [0,0,0,2,0,0|1,0,0]=3 109 B12R2.2028 O=C1CC(=O)N2C1CCCC2 Z1255399680 [0,0,0,2,0,0|2,0,0]=4 110 B12R2.2028 O=C1NC(=O)N2C1CCCC2 Z166630212 [0,0,0,2,0,0|2,0,0]=4 111 B12R2.2028 O=C1OC(=O)C2C1CCCC2 Z57127491 [0,0,0,2,0,0|2,0,0]=4 112 B12R2.783 O=C1CC2(CCCC2)C(=O)O1 Z104506022 [0,0,0,2,0,0|2,0,0]=4 113 B12R2.783 O=C1CC2(CCSC2)C(=O)N1 Z384975160 [0,0,0,2,0,0|2,0,0]=4 114 B12R2.783 O=C1NC(=O)C2(N1)CCCC2 Z56757181 [0,0,0,2,0,0|2,0,0]=4 115 B12R2.783 O=C1NC(=O)C2(N1)CCNC2 Z444831634 [0,0,0,2,0,0|2,0,0]=4 116 B12R2.783 O=C1NC(=O)C2(N1)CCOC2 Z1124554843 [0,0,0,2,0,0|1,1,0]=4 117 B12R2.783 O=C1NC(=O)C2(N1)CCSC2 Z57042025 [0,0,0,2,0,0|1,0,0]=3 118 B12R2.1085 O=C(O)[C@@H]1[C@@H]2[C@H]1C(=O)CCC2 Z3305802114 [0,0,0,2,0,0|2,0,0]=4 119 B12R2.659 O=C(O)C1CC(=O)C12CCC2 Z3153430665 [0,0,0,2,0,0|2,0,0]=4