0 B9R0.15 C=CCC(CC=C)C(=O)O Z1198157966 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.15 CCCC(CCC)C(=O)N Z995089344 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.15 CCCC(CCC)C(=O)O Z756391526 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.15 NCCC(CCN)C(=O)O Z1415893857 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.15 CCCC(CC)C(=O)O Z756391368 [1,0,0,0,0,0|0,0,1]=2 5 B8R0.15 CCCC(CN)C(=O)O Z970060188 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [1,0,0,0,0,0|1,0,1]=3 8 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.15 CCOC(CC)C(=O)O Z449367060 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.15 CNC(COC)C(=O)O Z1250132318 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [1,0,0,0,0,0|3,0,0]=4 12 B10R0.23 C=CCC(CC(C)C)C(=O)O Z1262513795 [0,1,0,0,0,0|0,0,2]=3 13 B10R0.23 C=CCC(NC(=O)C)C(=O)O Z432087554 [0,1,0,0,0,0|1,0,2]=4 14 B10R0.23 CCCC(NC(=O)C)C(=O)O Z444320916 [0,1,0,0,0,0|1,0,0]=2 15 B10R0.23 CCCC(NC(=O)N)C(=O)O Z444323704 [0,1,0,0,0,0|2,0,0]=3 16 B10R0.23 CCCC(NC(C)C)C(=O)O Z1665263806 [0,1,0,0,0,0|1,0,1]=3 17 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O Z1262552685 [0,1,0,0,0,0|2,0,0]=3 18 B10R0.73 CCCC(CCC)C(=O)OC Z1506716396 [0,1,0,0,0,0|0,0,2]=3 19 B10R0.73 CCCN(CCC)C(=O)CO Z431953122 [0,1,0,0,0,0|1,0,2]=4 20 B10R0.88 CCCC(CCCO)C(=O)[O-] Z2182115387 [0,1,0,0,0,0|0,0,3]=4 21 B10R0.103 CCCC(C)(CCC)C(=O)O Z995181442 [0,1,0,0,0,0|0,0,2]=3 22 B10R1.4 CCCC1NCCNC1=O Z978935024 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.39 CCC1=C(C=CN1)C(=O)O Z1416192080 [0,0,0,1,0,0|1,0,2]=4 24 B10R1.39 CCC1=C(C=CO1)C(=O)O Z1205494709 [0,0,0,1,0,0|1,0,2]=4 25 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [0,0,0,1,0,0|0,0,2]=3 26 B10R1.39 CCC1CCNC1C(=O)O Z1262517253 [0,0,0,1,0,0|1,0,1]=3 27 B10R1.39 CCC1NCCC1C(=O)O Z2096659316 [0,0,0,1,0,0|1,0,2]=4 28 B10R1.39 CCC1OCCC1C(=O)O Z1318264615 [0,0,0,1,0,0|1,0,2]=4 29 B10R1.39 CCN1C=CC=C1C(=O)O Z425487628 [0,0,0,1,0,0|1,0,2]=4 30 B10R1.39 CCN1N=CC=C1C(=O)O Z275170072 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.39 CC[C@@H]1CCO[C@@H]1C(=O)O Z2525786659 [0,0,0,1,0,0|1,0,1]=3 32 B10R1.39 N#CC1=C(CCC1)C(=O)O Z1205495248 [0,0,0,1,0,0|1,0,2]=4 33 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Z2213889147 [0,0,0,1,0,0|1,0,2]=4 34 B10R1.39 O=CC1=CCCC1C(=O)O Z1205494639 [0,0,0,1,0,0|1,0,1]=3 35 B10R1.39 O=NN1CCC[C@H]1C(=O)O Z1198157871 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.58 CC1=C(NC(=C1)C(=O)O)C Z1198334173 [0,0,0,1,0,0|1,0,2]=4 37 B10R1.58 CC1=C(OC(=C1)C(=O)O)C Z1201618976 [0,0,0,1,0,0|1,0,2]=4 38 B10R1.58 CC1=C(SC(=C1)C(=O)O)C Z104492212 [0,0,0,1,0,0|1,0,2]=4 39 B10R1.58 CC1=CC(=CN1C)C(=O)O Z1726066205 [0,0,0,1,0,0|1,0,2]=4 40 B10R1.58 CN1CC(CC1=O)C(=O)O Z57472350 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.58 CN1CC(NC1=O)C(=O)O Z1203832385 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.58 C[C@@H]1C[C@@H](CN1C)C(=O)O Z3678692412 [0,0,0,1,0,0|1,0,1]=3 43 B10R1.113 CC(=O)C1CCCN(C1)C Z413815762 [0,0,0,1,0,0|2,0,1]=4 44 B10R1.113 CC(=O)[C@H]1CNC[C@H](C1)C Z5212943153 [0,0,0,1,0,0|2,0,1]=4 45 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,0,0,1,0,0|1,0,2]=4 46 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,0,0,1,0,0|1,0,2]=4 47 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,0,0,1,0,0|0,0,2]=3 48 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,0,0,1,0,0|1,0,1]=3 49 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,0,0,1,0,0|1,0,1]=3 50 B10R1.113 CC1CNCC(C1)C(=O)N Z3268397570 [0,0,0,1,0,0|2,0,1]=4 51 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,0,0,1,0,0|2,0,1]=4 52 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,0,0,1,0,0|1,0,1]=3 53 B10R1.113 CN1CCOC(C1)C(=O)O Z1269638422 [0,0,0,1,0,0|2,0,1]=4 54 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,0,0,1,0,0|1,0,1]=3 55 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,0,0,1,0,0|1,0,1]=3 56 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,0,0,1,0,0|1,0,2]=4 57 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,0,0,1,0,0|1,0,2]=4 58 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,0,0,1,0,0|1,0,2]=4 59 B10R1.113 N[C@H]1C=CC[C@@H](C1)C(=O)O Z2785908692 [0,0,0,1,0,0|1,0,2]=4 60 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,0,0,1,0,0|1,0,2]=4 61 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,0,0,1,0,0|1,0,2]=4 62 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [0,0,0,1,0,0|2,0,1]=4 63 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,0,0,1,0,0|2,0,0]=3 64 B10R1.113 O=C1CSCC(N1)C(=O)O Z359515788 [0,0,0,1,0,0|3,0,0]=4 65 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [0,0,0,1,0,0|3,0,0]=4 66 B10R1.130 CCCC1NC(=O)NC1=O Z104495354 [0,0,0,1,0,0|3,0,0]=4 67 B10R1.348 CC(=O)C1CCCCCC1 Z1255452291 [0,0,0,1,0,0|1,0,2]=4 68 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [0,0,0,1,0,0|1,0,1]=3 69 B10R1.348 O=C(O)C1CCCCNC1 Z2310702448 [0,0,0,1,0,0|1,0,1]=3 70 B10R1.348 O=C(O)C1CCCOCC1 Z1258684735 [0,0,0,1,0,0|1,0,2]=4 71 B10R1.348 O=C(O)C1CNCCCN1 Z2044769174 [0,0,0,1,0,0|2,0,1]=4 72 B10R1.381 C#CCC1(CCC1)C(=O)O Z1321881086 [0,0,0,1,0,0|0,0,3]=4 73 B10R1.381 C=CCC1(CCC1)C(=O)O Z1205495475 [0,0,0,1,0,0|0,0,2]=3 74 B10R1.381 C=CCC1(CNC1)C(=O)O Z2865543040 [0,0,0,1,0,0|1,0,2]=4 75 B10R1.381 CCCC1(CCC1)C(=O)O Z1205494252 [0,0,0,1,0,0|0,0,2]=3 76 B10R1.381 COCC1(CCC1)C(=O)O Z1198323201 [0,0,0,1,0,0|1,0,1]=3 77 B10R1.381 NCCC1(CCC1)C(=O)O Z2310673784 [0,0,0,1,0,0|1,0,2]=4 78 B10R0.79 CCCC(=CC(=O)O)CCC Z352748434 [0,0,0,0,0,1|0,0,3]=4 79 B10R0.79 CCCC(CCC)CC(=O)O Z352782862 [0,0,0,0,0,1|0,0,2]=3 80 B10R0.79 CCOC(CC(=O)O)OCC Z1198167137 [0,0,0,0,0,1|2,0,1]=4 81 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [2,0,0,0,0,0|1,0,0]=3 82 B7R0.5 CC(CCN)C(=O)O Z2298167292 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.5 CC(NC=O)C(=O)O Z56757230 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.5 CCCC(C)C(=O)O Z104477112 [2,0,0,0,0,0|0,0,0]=2 85 B7R0.5 CCCC(N)C(=O)O Z317024724 [2,0,0,0,0,0|1,0,0]=3 86 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [2,0,0,0,0,0|1,0,0]=3 87 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [2,0,0,0,0,0|1,0,0]=3 88 B7R0.5 CCNC(C)C(=O)O Z3181996310 [2,0,0,0,0,0|1,0,0]=3 89 B7R0.5 CCOC(C)C(=O)O Z316258934 [2,0,0,0,0,0|1,0,0]=3 90 B7R0.5 CNCC(C)C(=O)O Z1270387301 [2,0,0,0,0,0|1,0,0]=3 91 B7R0.5 COCC(C)C(=O)O Z431541094 [2,0,0,0,0,0|1,0,0]=3 92 B7R0.5 COCC(N)C(=O)O Z1613478163 [2,0,0,0,0,0|2,0,0]=4 93 B7R0.5 CSCC(C)C(=O)O Z732206684 [2,0,0,0,0,0|1,0,0]=3 94 B7R0.5 CSCC(N)C(=O)O Z317025996 [2,0,0,0,0,0|2,0,0]=4 95 B7R0.5 NC(CCF)C(=O)O Z2470036329 [2,0,0,0,0,0|2,0,0]=4 96 B7R0.5 NC(CCO)C(=O)O Z234896487 [2,0,0,0,0,0|2,0,0]=4 97 B7R0.5 NCCC(F)C(=O)O Z3235903750 [2,0,0,0,0,0|2,0,0]=4 98 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [2,0,0,0,0,0|2,0,0]=4 99 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [2,0,0,0,0,0|2,0,0]=4 100 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [2,0,0,0,0,0|2,0,0]=4 101 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [2,0,0,0,0,0|2,0,0]=4 102 B7R0.12 CCCC(CO)OC Z2050356185 [2,0,0,0,0,0|1,0,1]=4 103 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [2,0,0,0,0,0|1,0,1]=4 104 B7R0.15 CCC(CC)C(=O)N Z365255920 [2,0,0,0,0,0|1,0,1]=4 105 B7R0.15 CCC(NC)C(=O)O Z818727142 [2,0,0,0,0,0|1,0,0]=3 106 B7R0.15 CCC(OC)C(=O)O Z449367058 [2,0,0,0,0,0|1,0,0]=3 107 B7R0.15 CCC(SC)C(=O)O Z732206700 [2,0,0,0,0,0|1,0,0]=3 108 B7R0.15 CNC(CN)C(=O)O Z1982493964 [2,0,0,0,0,0|2,0,0]=4 109 B7R0.15 COC(CN)C(=O)O Z1603778808 [2,0,0,0,0,0|2,0,0]=4 110 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [2,0,0,0,0,0|1,0,1]=4 111 B9R0.12 CCNC(CC)C(=O)OC Z2903872428 [1,1,0,0,0,0|1,0,1]=4 112 B9R0.13 CCC(CCOC)C(=O)O Z756391352 [1,1,0,0,0,0|0,0,1]=3 113 B9R0.13 CCCCC(CC)C(=O)N Z394696486 [1,1,0,0,0,0|1,0,1]=4 114 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [1,1,0,0,0,0|0,0,1]=3 115 B9R0.13 COC(CCSC)C(=O)O Z1592680734 [1,1,0,0,0,0|1,0,0]=3 116 B9R0.29 CCC(C(=O)O)C(=O)OC Z1205494591 [1,1,0,0,0,0|1,0,0]=3 117 B9R0.29 CCC(C)C(CC)C(=O)N Z1198155509 [1,1,0,0,0,0|1,0,1]=4 118 B9R0.29 CCC(C)C(NC)C(=O)O Z2472857058 [1,1,0,0,0,0|1,0,0]=3 119 B9R0.29 COC(=O)C(OC)C(=O)O Z1205494676 [1,1,0,0,0,0|2,0,0]=4 120 B9R0.33 CCCC(C(=O)O)C(C)C Z756391686 [1,1,0,0,0,0|0,0,1]=3 121 B9R0.33 CCCC(C(=O)O)N(C)C Z448003350 [1,1,0,0,0,0|1,0,0]=3 122 B9R0.33 CCNC(C(=O)O)C(C)C Z1259273177 [1,1,0,0,0,0|1,0,1]=4 123 B9R0.33 CCSC(C(=O)O)C(C)C Z332377408 [1,1,0,0,0,0|1,0,1]=4 124 B9R0.33 CN(C)C(CCO)C(=O)O Z5134019755 [1,1,0,0,0,0|2,0,0]=4 125 B9R0.33 COCC(C(=O)O)N(C)C Z4653441284 [1,1,0,0,0,0|2,0,0]=4 126 B9R0.39 CC(=O)NC(CO)C(=O)O Z239132792 [1,1,0,0,0,0|2,0,0]=4 127 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Z1143441555 [1,1,0,0,0,0|2,0,0]=4 128 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [1,1,0,0,0,0|1,0,1]=4 129 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [1,1,0,0,0,0|1,0,1]=4 130 B9R0.39 CCC(CC(C)C)C(=O)O Z756391140 [1,1,0,0,0,0|0,0,1]=3 131 B9R0.39 CCC(CC(F)F)C(=O)O Z1321943682 [1,1,0,0,0,0|1,0,1]=4 132 B9R0.39 CCC(NC(=O)N)C(=O)O Z90663559 [1,1,0,0,0,0|2,0,0]=4 133 B9R0.39 CCC(NC(C)C)C(=O)O Z2306604116 [1,1,0,0,0,0|1,0,1]=4 134 B9R0.39 COC(CC(C)C)C(=O)O Z1205496164 [1,1,0,0,0,0|1,0,0]=3 135 B9R0.74 CCC(C)(COC)C(=O)O Z1627075139 [1,1,0,0,0,0|1,0,1]=4 136 B9R0.74 CCC(N)(COC)C(=O)O Z2217033049 [1,1,0,0,0,0|1,0,1]=4 137 B9R0.74 CNC(C)(COC)C(=O)O Z2234185714 [1,1,0,0,0,0|2,0,0]=4 138 B11R0.352 CCCC(O)(CCC)CC(=O)O Z982131968 [0,1,0,0,0,1|0,0,2]=4 139 B11R0.32 C=C(C)CC(NC(=O)C)C(=O)O Z1198151249 [0,2,0,0,0,0|1,0,1]=4 140 B11R0.32 CC(=O)NC(CC(C)C)C(=O)O Z56755951 [0,2,0,0,0,0|1,0,0]=3 141 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)O Z756438860 [0,2,0,0,0,0|1,0,0]=3 142 B11R0.32 CC(=O)N[C@H](CC(C)C)C(=O)O Z851793110 [0,2,0,0,0,0|1,0,0]=3 143 B11R0.32 CC(C)CC(CC(C)C)C(=O)O Z756391138 [0,2,0,0,0,0|0,0,2]=4 144 B11R0.32 CC(C)CC(NC(=O)N)C(=O)O Z56862248 [0,2,0,0,0,0|2,0,0]=4 145 B11R0.115 CCC(C)C(NC(=O)N)C(=O)O Z56862687 [0,2,0,0,0,0|2,0,0]=4 146 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O Z98656805 [0,2,0,0,0,0|1,0,0]=3 147 B11R0.160 CCCCC(NC(=O)N)C(=O)O Z425424974 [0,2,0,0,0,0|2,0,0]=4 148 B11R0.160 COCCC(NC(=O)C)C(=O)O Z979419978 [0,2,0,0,0,0|1,0,0]=3 149 B11R0.160 CSCCC(NC(=O)C)C(=O)O Z85883131 [0,2,0,0,0,0|1,0,0]=3 150 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)O Z756444180 [0,2,0,0,0,0|1,0,0]=3 151 B11R0.236 CCC[C@@H](NC(=O)CN)C(=O)O Z3542998518 [0,2,0,0,0,0|1,0,0]=3 152 B11R0.78 CCCC(CCCCN)C(=O)O Z1993522747 [0,2,0,0,0,0|0,0,2]=4 153 B11R0.194 CCCC(CN)(CCC)C(=O)O Z3951679440 [0,2,0,0,0,0|0,0,2]=4 154 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [1,0,0,1,0,0|2,0,0]=4 155 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [1,0,0,1,0,0|2,0,0]=4 156 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [1,0,0,1,0,0|2,0,0]=4 157 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [1,0,0,1,0,0|1,0,1]=4 158 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [1,0,0,1,0,0|2,0,0]=4 159 B9R1.6 O=C(O)C1=CCCNC1 Z1198149389 [1,0,0,1,0,0|1,0,1]=4 160 B9R1.6 O=C(O)C1=CCCSC1 Z1172114103 [1,0,0,1,0,0|1,0,1]=4 161 B9R1.6 O=C(O)C1=COCCC1 Z1013753084 [1,0,0,1,0,0|1,0,1]=4 162 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [1,0,0,1,0,0|0,0,0]=2 163 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [1,0,0,1,0,0|1,0,0]=3 164 B9R1.6 O=C(O)C1C=CCNC1 Z3488456277 [1,0,0,1,0,0|1,0,0]=3 165 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [1,0,0,1,0,0|0,0,2]=4 166 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [1,0,0,1,0,0|0,0,1]=3 167 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [1,0,0,1,0,0|1,0,0]=3 168 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [1,0,0,1,0,0|1,0,0]=3 169 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [1,0,0,1,0,0|1,0,1]=4 170 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [1,0,0,1,0,0|1,0,1]=4 171 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [1,0,0,1,0,0|1,0,1]=4 172 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [1,0,0,1,0,0|2,0,0]=4 173 B9R1.6 O=C(O)C1CCNC=N1 Z2471799191 [1,0,0,1,0,0|2,0,0]=4 174 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [1,0,0,1,0,0|1,0,1]=4 175 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [1,0,0,1,0,0|1,0,1]=4 176 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [1,0,0,1,0,0|1,0,1]=4 177 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [1,0,0,1,0,0|2,0,0]=4 178 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [1,0,0,1,0,0|2,0,0]=4 179 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [1,0,0,1,0,0|2,0,0]=4 180 B9R1.6 O=C(O)C1COCCO1 Z362763682 [1,0,0,1,0,0|2,0,0]=4 181 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [1,0,0,1,0,0|2,0,0]=4 182 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [1,0,0,1,0,0|2,0,0]=4 183 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [1,0,0,1,0,0|1,0,0]=3 184 B9R1.15 CCC1CCCNC1=O Z1203731521 [1,0,0,1,0,0|1,0,1]=4 185 B9R1.15 CNC1CCCNC1=O Z1795818556 [1,0,0,1,0,0|2,0,0]=4 186 B9R1.15 CSC1CCCCC1=O Z732208578 [1,0,0,1,0,0|2,0,0]=4 187 B9R1.33 O=CCC1CCOC1=O Z1511761046 [1,0,0,1,0,0|1,0,1]=4 188 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [1,0,0,1,0,0|0,0,2]=4 189 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [1,0,0,1,0,0|1,0,1]=4 190 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [1,0,0,1,0,0|0,0,1]=3 191 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [1,0,0,1,0,0|1,0,0]=3 192 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [1,0,0,1,0,0|1,0,1]=4 193 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [1,0,0,1,0,0|1,0,1]=4 194 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [1,0,0,1,0,0|1,0,1]=4 195 B9R1.35 NC1C=CC(C1)C(=O)O Z1350606478 [1,0,0,1,0,0|1,0,0]=3 196 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [1,0,0,1,0,0|1,0,1]=4 197 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [1,0,0,1,0,0|1,0,1]=4 198 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [1,0,0,1,0,0|2,0,0]=4 199 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [1,0,0,1,0,0|2,0,0]=4 200 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [1,0,0,1,0,0|2,0,0]=4 201 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [1,0,0,1,0,0|1,0,1]=4 202 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [1,0,0,1,0,0|2,0,0]=4 203 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [1,0,0,1,0,0|2,0,0]=4 204 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [1,0,0,1,0,0|2,0,0]=4 205 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [1,0,0,1,0,0|2,0,0]=4 206 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [1,0,0,1,0,0|2,0,0]=4 207 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [1,0,0,1,0,0|0,0,1]=3 208 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [1,0,0,1,0,0|0,0,1]=3 209 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [1,0,0,1,0,0|1,0,1]=4 210 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [1,0,0,1,0,0|1,0,1]=4 211 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [1,0,0,1,0,0|1,0,1]=4 212 B9R1.41 CN1CCCC1C(=O)O Z424762078 [1,0,0,1,0,0|1,0,0]=3 213 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [1,0,0,1,0,0|1,0,0]=3 214 B9R1.41 CN1CSCC1C(=O)O Z3069281046 [1,0,0,1,0,0|2,0,0]=4 215 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [1,0,0,1,0,0|1,0,1]=4 216 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [1,0,0,1,0,0|2,0,0]=4 217 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [1,0,0,1,0,0|2,0,0]=4 218 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [1,0,0,1,0,0|1,0,1]=4 219 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [1,0,0,1,0,0|1,0,1]=4 220 B9R1.41 O=C(O)C1=C(CCC1)Cl Z1198161164 [1,0,0,1,0,0|1,0,1]=4 221 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [1,0,0,1,0,0|1,0,1]=4 222 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [1,0,0,1,0,0|2,0,0]=4 223 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [1,0,0,1,0,0|1,0,1]=4 224 B9R1.119 CCC1(CCC1)C(=O)O Z1205494281 [1,0,0,1,0,0|0,0,1]=3 225 B9R1.119 CCC1(COC1)C(=O)O Z1205656653 [1,0,0,1,0,0|1,0,1]=4 226 B9R1.119 CNC1(CCC1)C(=O)O Z2327124607 [1,0,0,1,0,0|1,0,0]=3 227 B9R1.119 COC1(CCC1)C(=O)O Z1592683230 [1,0,0,1,0,0|1,0,0]=3 228 B9R1.119 N#CC1(CCC1)C(=O)O Z825761124 [1,0,0,1,0,0|1,0,1]=4 229 B9R1.119 NCC1(CCC1)C(=O)O Z2037266975 [1,0,0,1,0,0|1,0,1]=4 230 B9R1.119 O=C(O)C1(CCC1)CO Z1263714391 [1,0,0,1,0,0|1,0,1]=4 231 B9R1.130 CC1CC1(C#N)C(=O)O Z1650185273 [1,0,0,1,0,0|1,0,1]=4 232 B9R1.130 C[C@@H]1C[C@@]1(CN)C(=O)O Z3409601701 [1,0,0,1,0,0|1,0,1]=4 233 B9R1.179 CCCC1(CC1)C(=O)O Z1205496166 [1,0,0,1,0,0|0,0,1]=3 234 B9R1.179 O=C(O)C1(CC1)CCO Z1321950923 [1,0,0,1,0,0|1,0,1]=4 235 B9R1.2 CC1CCCC(C1)C=O Z1217182161 [1,0,0,1,0,0|0,0,2]=4 236 B9R1.89 NCC1C=CCCCC1 Z3443270742 [1,0,0,1,0,0|1,0,1]=4 237 B9R1.89 O=CC1=CCCCCC1 Z1190318867 [1,0,0,1,0,0|0,0,2]=4 238 B9R1.89 O=CC1CCCCCC1 Z1079442748 [1,0,0,1,0,0|0,0,2]=4 239 B9R1.175 CCOC1(CCC1)C=O Z3243444616 [1,0,0,1,0,0|1,0,1]=4 240 B9R1.175 COCC1(CCC1)C=O Z1813175668 [1,0,0,1,0,0|1,0,1]=4 241 B11R1.57 CCN1CCCC1CC(=O)O Z1695906928 [0,0,0,1,0,1|1,0,1]=4 242 B11R1.157 CC1CCCC(C1)CC(=O)O Z352783434 [0,0,0,1,0,1|0,0,2]=4 243 B11R1.157 CC1CNCC(C1)CC(=O)O Z2235790824 [0,0,0,1,0,1|1,0,1]=4 244 B11R1.157 CN1CCCC(C1)CC(=O)O Z2310699362 [0,0,0,1,0,1|1,0,1]=4 245 B11R1.157 C[C@@H]1CCC[C@@H](O1)CC(=O)O Z4946669801 [0,0,0,1,0,1|1,0,1]=4 246 B11R1.157 O=C(O)CC1CCCC(=O)C1 Z907709938 [0,0,0,1,0,1|1,0,1]=4 247 B11R1.157 O=C(O)CC1CCCC(=O)N1 Z1255458725 [0,0,0,1,0,1|2,0,0]=4 248 B11R1.193 CCCC1CCCC1C(=O)O Z1434224393 [0,0,0,1,0,1|0,0,2]=4 249 B11R1.742 O=C(O)CC1CCCCCC1 Z352783664 [0,0,0,1,0,1|0,0,2]=4 250 B11R1.49 CCC1=C(C=C(O1)C)C(=O)O Z2718910099 [0,1,0,1,0,0|0,0,2]=4 251 B11R1.49 CCN1N=C(C=C1C(=O)O)C Z992722198 [0,1,0,1,0,0|1,0,1]=4 252 B11R1.74 CC1CC(CC(C1)C(=O)O)C Z1249998224 [0,1,0,1,0,0|0,0,2]=4 253 B11R1.74 C[C@@H]1C[C@@H](CC(=O)N1)C(=O)O Z3779337331 [0,1,0,1,0,0|1,0,1]=4 254 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [0,1,0,1,0,0|1,0,0]=3 255 B11R1.74 C[C@H]1CC(C[C@H](O1)C)C(=O)O Z2733317950 [0,1,0,1,0,0|0,0,2]=4 256 B11R1.74 C[C@H]1C[C@H](C[C@H](N1)C(=O)O)C Z2507795569 [0,1,0,1,0,0|1,0,1]=4 257 B11R1.74 C[C@H]1C[C@H](C[C@H](N1)C)C(=O)O Z2688995654 [0,1,0,1,0,0|0,0,2]=4 258 B11R1.74 C[C@H]1C[C@H](C[C@H](O1)C)C(=O)O Z2894292333 [0,1,0,1,0,0|0,0,2]=4 259 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Z1078490036 [0,1,0,1,0,0|1,0,0]=3 260 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Z85923459 [0,1,0,1,0,0|1,0,0]=3 261 B11R1.178 CC(=O)N1CSCC1C(=O)O Z316101354 [0,1,0,1,0,0|2,0,0]=4 262 B11R1.178 CC(C)N1CCCC1C(=O)O Z424762070 [0,1,0,1,0,0|1,0,1]=4 263 B11R1.178 CC(C)[C@@H]1CCO[C@@H]1C(=O)O Z2310169937 [0,1,0,1,0,0|1,0,1]=4 264 B11R1.178 CC(C)[C@@H]1CNC[C@H]1C(=O)O Z2307018221 [0,1,0,1,0,0|1,0,1]=4 265 B11R1.178 NC(=O)N1CCCC1C(=O)O Z56889385 [0,1,0,1,0,0|2,0,0]=4 266 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O Z360054132 [0,1,0,1,0,0|2,0,0]=4 267 B11R1.178 O=C(O)C1=C(CCC1)C(=O)O Z1255487192 [0,1,0,1,0,0|1,0,1]=4 268 B11R1.178 O=C(O)C1CCCC1C(=O)O Z1198150630 [0,1,0,1,0,0|1,0,1]=4 269 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [0,1,0,1,0,0|1,0,0]=3 270 B11R1.730 CC1(CCCC(C1)C(=O)O)C Z1229795777 [0,1,0,1,0,0|0,0,2]=4 271 B11R1.730 CC1(CCCC(O1)C(=O)O)C Z1836444615 [0,1,0,1,0,0|1,0,1]=4 272 B11R1.730 CC1(CCNC(C1)C(=O)O)C Z2306604258 [0,1,0,1,0,0|1,0,1]=4 273 B11R1.730 CC1(CNCC(C1)C(=O)O)C Z3753017050 [0,1,0,1,0,0|1,0,1]=4 274 B11R1.782 CSCC1(CC(C1)N)C(=O)O Z5144870349 [0,1,0,1,0,0|1,0,1]=4 275 B11R1.806 COCC(NC1CC1)C(=O)O Z1824511453 [0,1,0,1,0,0|1,0,1]=4 276 B11R1.929 CC(=O)CC1(CCC1)C(=O)O Z1836202432 [0,1,0,1,0,0|0,0,1]=3 277 B11R1.929 CC(C)CC1(CCC1)C(=O)O Z1255468300 [0,1,0,1,0,0|0,0,2]=4 278 B11R1.929 O=C(O)CC1(CCC1)C(=O)O Z1262513713 [0,1,0,1,0,0|1,0,1]=4 279 B11R1.53 CCC1CCCCC1C(=O)O Z1162465707 [0,1,0,1,0,0|0,0,2]=4 280 B11R1.53 CCC1OCCCC1C(=O)O Z1318264671 [0,1,0,1,0,0|0,0,2]=4 281 B11R1.53 CCN1CCCCC1C(=O)O Z803129924 [0,1,0,1,0,0|1,0,1]=4 282 B11R1.53 CCN1CCOCC1C(=O)O Z1582264059 [0,1,0,1,0,0|1,0,1]=4 283 B11R1.53 COC1CCCCC1C(=O)O Z1080715176 [0,1,0,1,0,0|1,0,1]=4 284 B11R1.53 COC1CCNCC1C(=O)O Z4105034441 [0,1,0,1,0,0|1,0,1]=4 285 B11R1.53 CSC1=C(CCCC1)C(=O)O Z1262537420 [0,1,0,1,0,0|1,0,1]=4 286 B11R1.53 O=CC1=CNCCC1C(=O)O Z3469696901 [0,1,0,1,0,0|1,0,1]=4 287 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Z2306862306 [0,1,0,1,0,0|0,0,2]=4 288 B11R1.143 O=C(O)C1CCCCNC1=O Z2732472146 [0,1,0,1,0,0|1,0,0]=3 289 B11R1.159 CN1C(=O)CCCC1C(=O)O Z1262558916 [0,1,0,1,0,0|2,0,0]=4 290 B11R1.167 CC1CCC(C(N1)C(=O)O)C Z4075226032 [0,1,0,1,0,0|1,0,1]=4 291 B11R1.879 CNC(=O)C1(CCC1)C(=O)O Z951182618 [0,1,0,1,0,0|1,0,0]=3 292 B11R1.879 COC(=O)C1(CCC1)C(=O)C Z1333028349 [0,1,0,1,0,0|2,0,0]=4 293 B11R1.23 COC(=O)C1CC(CCN1)C Z1723897915 [0,1,0,1,0,0|1,0,1]=4 294 B11R1.23 COC(=O)C1CCCC(=O)C1 Z1198183330 [0,1,0,1,0,0|1,0,1]=4 295 B11R1.23 COC(=O)C1CCCC(=O)N1 Z1198314890 [0,1,0,1,0,0|2,0,0]=4 296 B11R1.768 COC(=O)C1(CCC1)CC=O Z2694744316 [0,1,0,1,0,0|1,0,1]=4 297 B11R1.852 COC(=O)C1CCCCCN1 Z2232973413 [0,1,0,1,0,0|1,0,1]=4 298 B11R1.17 C/C=C/CC1CCCNC1=O Z2649686777 [0,1,0,1,0,0|1,0,0]=3 299 B11R1.21 CC1=C(CC(CC1)C(=O)O)C Z1198156483 [0,1,0,1,0,0|0,0,1]=3 300 B11R1.21 CC1CC(CCC1=O)C(=O)O Z1262513284 [0,1,0,1,0,0|1,0,1]=4 301 B11R1.21 CC1CCC(CC1C)C(=O)O Z1250017822 [0,1,0,1,0,0|0,0,2]=4 302 B11R1.21 CC1CCC(NC1C)C(=O)O Z2350909288 [0,1,0,1,0,0|1,0,1]=4 303 B11R1.21 C[C@@H]1CN[C@@H](C[C@@H]1C)C(=O)O Z4076052338 [0,1,0,1,0,0|0,0,2]=4 304 B11R1.21 C[C@@H]1C[C@@H](CCN1C)C(=O)O Z2309899010 [0,1,0,1,0,0|0,0,2]=4 305 B11R1.48 CCC1=C(C=C(O1)C(=O)O)C Z1262529610 [0,1,0,1,0,0|0,0,2]=4 306 B11R1.48 CCC1=C(C=C(S1)C(=O)O)C Z90123545 [0,1,0,1,0,0|0,0,2]=4 307 B11R1.48 CCN1CC(CC1=O)C(=O)O Z111495996 [0,1,0,1,0,0|1,0,1]=4 308 B11R1.48 CCN1N=C(C=C1C)C(=O)O Z1198178327 [0,1,0,1,0,0|1,0,1]=4 309 B11R1.64 CCC1=C(C=CN1C)C(=O)O Z2128353892 [0,1,0,1,0,0|0,0,2]=4 310 B11R1.64 CCC1=C(SC=C1C(=O)O)C Z1198162458 [0,1,0,1,0,0|0,0,2]=4 311 B11R1.64 CC[C@@H]1[C@H](CCN1C)C(=O)O Z2418213031 [0,1,0,1,0,0|0,0,2]=4 312 B11R1.230 CC1CC(C(=O)O1)SCCO Z292822142 [0,1,0,1,0,0|1,0,1]=4 313 B11R1.266 CCC1CCCC(N1)C(=O)O Z1612958646 [0,1,0,1,0,0|0,0,2]=4 314 B11R1.266 CCN1CCCC(C1)C(=O)O Z763029984 [0,1,0,1,0,0|0,0,2]=4 315 B11R1.266 CCN1CCOC(C1)C(=O)O Z1459939099 [0,1,0,1,0,0|1,0,1]=4 316 B11R1.266 CC[C@@H]1COC[C@@H](N1)C(=O)O Z4767064022 [0,1,0,1,0,0|1,0,1]=4 317 B11R1.266 COC1CCCC(C1)C(=O)O Z1192182025 [0,1,0,1,0,0|0,0,2]=4 318 B11R1.266 COC1CCNC(C1)C(=O)O Z2768171860 [0,1,0,1,0,0|1,0,1]=4 319 B11R1.266 COC1CNCC(C1)C(=O)O Z5209028633 [0,1,0,1,0,0|1,0,1]=4 320 B11R1.565 NC1CCCC(CC1)C(=O)O Z3478634516 [0,1,0,1,0,0|0,0,2]=4 321 B11R1.706 O=C(O)C1CCCCCCC1 Z792377154 [0,1,0,1,0,0|0,0,2]=4 322 B11R1.706 O=C(O)C1CCCCCCN1 Z1998612770 [0,1,0,1,0,0|0,0,2]=4 323 B11R1.905 COCCC1(CCC1)C(=O)O Z1258911895 [0,1,0,1,0,0|0,0,2]=4 324 B11R1.905 O=C(O)C1(CCC1)NCCO Z1436310166 [0,1,0,1,0,0|1,0,1]=4 325 B11R1.1239 CCOC1(CCCC1)C(=O)O Z803492470 [0,1,0,1,0,0|1,0,1]=4 326 B11R1.1239 COCC1(C=CCN1)C(=O)O Z4912544357 [0,1,0,1,0,0|1,0,0]=3 327 B11R1.1239 COCC1(CC=CC1)C(=O)O Z2472508417 [0,1,0,1,0,0|1,0,0]=3 328 B11R1.1239 COCC1(CCCC1)C(=O)O Z1251362857 [0,1,0,1,0,0|1,0,1]=4 329 B11R1.1239 COCC1(CCCN1)C(=O)O Z2186883213 [0,1,0,1,0,0|1,0,1]=4 330 B11R1.1239 COCC1(CCNC1)C(=O)O Z2381575910 [0,1,0,1,0,0|1,0,1]=4 331 B11R1.1239 COCC1(CCOC1)C(=O)O Z1627075152 [0,1,0,1,0,0|1,0,1]=4 332 B11R1.1239 O=CNC1(CCCC1)C(=O)O Z760037150 [0,1,0,1,0,0|2,0,0]=4 333 B11R1.667 CC1CCCC(C1)(N)C(=O)O Z317024768 [0,1,0,1,0,0|0,0,2]=4 334 B11R1.737 CC1(CCCCCC1)C(=O)O Z1255397317 [0,1,0,1,0,0|0,0,2]=4 335 B11R1.737 NC1(CCCCCC1)C(=O)O Z317024840 [0,1,0,1,0,0|0,0,2]=4 336 B11R1.737 O=C(O)C1(CCCCCC1)O Z787969976 [0,1,0,1,0,0|0,0,2]=4 337 B11R2.819 O=C(O)[C@]12CC[C@H]1CCN2 Z3181907870 [0,0,0,2,0,0|1,0,1]=4 338 B11R2.819 O=C(O)[C@]12CC[C@H]1CNC2 Z2940617658 [0,0,0,2,0,0|1,0,1]=4 339 B11R2.822 O=C(O)[C@@H]1NC[C@@H]2[C@H]1CC2 Z3484275452 [0,0,0,2,0,0|1,0,1]=4 340 B11R2.845 O=C(O)C1CC2C=CC1C2 Z104495016 [0,0,0,2,0,0|0,0,2]=4 341 B11R2.845 O=C(O)C1CC2CCC1C2 Z147433488 [0,0,0,2,0,0|0,0,2]=4 342 B11R2.845 O=C(O)C1CN2CCC1C2 Z1262558196 [0,0,0,2,0,0|1,0,1]=4 343 B11R2.845 O=C(O)[C@@H]1C[C@H]2C=C[C@@H]1C2 Z2507795603 [0,0,0,2,0,0|0,0,2]=4 344 B11R2.1852 O=C(O)[C@@H]1[C@@H]2[C@H]1OCCC2 Z3002935457 [0,0,0,2,0,0|1,0,1]=4 345 B11R2.814 O=C(O)C1CC2C1CCC2 Z1509040895 [0,0,0,2,0,0|0,0,2]=4 346 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]=4 347 B11R2.818 C[C@@]12CNC[C@@]1(C2)C(=O)O Z4120110312 [0,0,0,2,0,0|1,0,1]=4 348 B11R2.839 O=C(O)C1CCC2CC2C1 Z1509040982 [0,0,0,2,0,0|0,0,2]=4 349 B11R2.1826 O=C(O)C12CNCC(C1)C2 Z3244821611 [0,0,0,2,0,0|1,0,1]=4 350 B11R2.837 O=C(O)C(C1CC1)C2CC2 Z792377296 [0,0,0,2,0,0|0,0,2]=4 351 B11R2.813 O=C(O)C12CCCCC1C2 Z1205497757 [0,0,0,2,0,0|0,0,2]=4 352 B11R2.813 O=C(O)[C@]12C[C@H]1CCCN2 Z2896884384 [0,0,0,2,0,0|1,0,1]=4