0 B9R0.15 CCCC(CCC)C(=O)N Z995089344 [1,0,0,0,0,0|1,0,1]=3 1 B9R0.15 CCCC(CCC)C(=O)O Z756391526 [1,0,0,0,0,0|0,0,1]=2 2 B9R0.15 NCCC(CCN)C(=O)O Z1415893857 [1,0,0,0,0,0|2,0,1]=4 3 B9R0.29 CCC(C(=O)O)C(=O)OC Z1205494591 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.29 CCC(C)C(CC)C(=O)N Z1198155509 [1,0,0,0,0,0|2,0,1]=4 5 B9R0.29 CCC(C)C(NC)C(=O)O Z2472857058 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.29 COC(=O)C(OC)C(=O)O Z1205494676 [1,0,0,0,0,0|2,0,0]=3 7 B9R0.33 CCCC(C(=O)O)C(C)C Z756391686 [1,0,0,0,0,0|1,0,1]=3 8 B9R0.33 CCCC(C(=O)O)N(C)C Z448003350 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.33 CCNC(C(=O)O)C(C)C Z1259273177 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.33 CCSC(C(=O)O)C(C)C Z332377408 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.33 CN(C)C(CCO)C(=O)O Z5134019755 [1,0,0,0,0,0|3,0,0]=4 12 B9R0.33 COCC(C(=O)O)N(C)C Z4653441284 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.53 CCC1=C(SCCO1)C(=O)O Z1262556293 [0,0,0,1,0,0|1,0,2]=4 14 B11R1.53 CCC1CCCCC1C(=O)O Z1162465707 [0,0,0,1,0,0|1,0,1]=3 15 B11R1.53 CCC1OCCCC1C(=O)O Z1318264671 [0,0,0,1,0,0|0,0,2]=3 16 B11R1.53 CCN1CCCCC1C(=O)O Z803129924 [0,0,0,1,0,0|2,0,0]=3 17 B11R1.53 CCN1CCOCC1C(=O)O Z1582264059 [0,0,0,1,0,0|3,0,0]=4 18 B11R1.53 COC1CCCCC1C(=O)O Z1080715176 [0,0,0,1,0,0|2,0,1]=4 19 B11R1.53 CSC1=C(CCCC1)C(=O)O Z1262537420 [0,0,0,1,0,0|2,0,1]=4 20 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O Z2915026000 [0,0,0,1,0,0|2,0,1]=4 21 B11R1.143 NC(=O)C1CCCCCC1N Z1407673034 [0,0,0,1,0,0|2,0,1]=4 22 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Z2306862306 [0,0,0,1,0,0|1,0,1]=3 23 B11R1.143 O=C(O)C1CCCCNC1=O Z2732472146 [0,0,0,1,0,0|1,0,0]=2 24 B11R1.159 CN1CCNC(C1=O)C(=O)N Z4136061047 [0,0,0,1,0,0|3,0,0]=4 25 B11R1.167 CC1CC(C(CN1)C)C(=O)O Z3214138136 [0,0,0,1,0,0|2,0,1]=4 26 B11R1.167 CC1CCC(C(N1)C(=O)O)C Z4075226032 [0,0,0,1,0,0|2,0,1]=4 27 B11R1.222 COC(=O)C1CCCN=C1N Z2467454589 [0,0,0,1,0,0|3,0,0]=4 28 B11R1.222 COC(=O)C1COCCC1=O Z1331041635 [0,0,0,1,0,0|3,0,0]=4 29 B11R1.222 COC(=O)C1CSCCC1=O Z609890052 [0,0,0,1,0,0|3,0,0]=4 30 B11R1.222 COC(=O)C1SCCNC1=O Z1868165236 [0,0,0,1,0,0|3,0,0]=4 31 B11R1.225 CC1CC(C(O1)C)C(=O)CCl Z2723635116 [0,0,0,1,0,0|2,0,1]=4 32 B11R1.598 C=CCN1C(=O)OC(C1=O)C Z1198155422 [0,0,0,1,0,0|1,0,2]=4 33 B11R1.605 NCCN1C(=O)CCCC1=O Z1263820259 [0,0,0,1,0,0|3,0,0]=4 34 B11R1.879 CNC(=O)C1(CCC1)C(=O)O Z951182618 [0,0,0,1,0,0|1,0,0]=2 35 B11R1.879 COC(=O)C1(CCC1)C(=O)C Z1333028349 [0,0,0,1,0,0|2,0,0]=3 36 B11R0.236 CCC[C@@H](NC(=O)CN)C(=O)O Z3542998518 [0,0,0,0,0,1|1,0,0]=2 37 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [2,0,0,0,0,0|0,0,1]=3 38 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [2,0,0,0,0,0|2,0,0]=4 39 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.15 CCCC(CC)C(=O)O Z756391368 [2,0,0,0,0,0|0,0,0]=2 41 B8R0.15 CCCC(CN)C(=O)O Z970060188 [2,0,0,0,0,0|1,0,0]=3 42 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [2,0,0,0,0,0|1,0,0]=3 43 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [2,0,0,0,0,0|1,0,0]=3 44 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [2,0,0,0,0,0|2,0,0]=4 45 B8R0.15 CCOC(CC)C(=O)O Z449367060 [2,0,0,0,0,0|1,0,0]=3 46 B8R0.15 CNC(COC)C(=O)O Z1250132318 [2,0,0,0,0,0|2,0,0]=4 47 B8R0.20 CCC(CO)C(=O)OC Z1255448041 [2,0,0,0,0,0|1,0,1]=4 48 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [2,0,0,0,0,0|1,0,1]=4 49 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [2,0,0,0,0,0|1,0,1]=4 50 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [2,0,0,0,0,0|0,0,2]=4 51 B8R0.2 COC(=O)C(C)C(=O)C Z839827758 [2,0,0,0,0,0|2,0,0]=4 52 B8R0.18 CCC(C(=O)C)C(=O)C Z119984130 [2,0,0,0,0,0|1,0,0]=3 53 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [2,0,0,0,0,0|2,0,0]=4 54 B10R0.33 CCCC(C#N)C(=O)OCC Z878453462 [1,1,0,0,0,0|1,0,1]=4 55 B10R0.23 CCCC(NC(=O)C)C(=O)O Z444320916 [1,1,0,0,0,0|1,0,1]=4 56 B10R0.23 CCCC(NC(C)C)C(=O)O Z1665263806 [1,1,0,0,0,0|1,0,0]=3 57 B10R0.88 CCCC(CCCO)C(=O)[O-] Z2182115387 [1,1,0,0,0,0|0,0,2]=4 58 B10R0.103 CCCC(C)(CCC)C(=O)O Z995181442 [1,1,0,0,0,0|0,0,1]=3 59 B10R0.94 CCC(C(=O)O)N(CC)CC Z1270387267 [1,1,0,0,0,0|2,0,0]=4 60 B10R0.101 CCOC(=O)C(CC)C(=O)O Z1251357259 [1,1,0,0,0,0|0,0,0]=2 61 B10R0.101 CCOC(=O)C(OC)C(=O)O Z1262517135 [1,1,0,0,0,0|1,0,0]=3 62 B10R0.17 CCCNC(C(=O)O)C(C)C Z445226212 [1,1,0,0,0,0|1,0,1]=4 63 B10R0.17 CSCCC(C(=O)O)N(C)C Z565906654 [1,1,0,0,0,0|2,0,0]=4 64 B10R0.17 NCCCC(C(=O)O)C(=O)O Z3379289602 [1,1,0,0,0,0|1,0,0]=3 65 B10R0.69 CCCC(C(=O)O)S(=O)(=O)N Z1565831717 [1,1,0,0,0,0|2,0,0]=4 66 B10R0.162 CC(C)CC(C(=O)N)C(=O)O Z1262518071 [1,1,0,0,0,0|1,0,0]=3 67 B10R0.162 CC(C)CC(C(=O)O)C(=O)O Z1198161254 [1,1,0,0,0,0|1,0,0]=3 68 B10R0.162 CC(C)CC(C(=O)O)C(C)C Z756391614 [1,1,0,0,0,0|1,0,1]=4 69 B10R0.162 O=C(O)C(CC(F)F)C(=O)O Z1255497592 [1,1,0,0,0,0|2,0,0]=4 70 B12R0.151 CC(C)C[C@H](NC(=O)CCl)C(=O)O Z235342013 [0,1,0,0,0,1|1,0,0]=3 71 B12R0.151 COC(=O)NC(CC(C)C)C(=O)O Z319610352 [0,1,0,0,0,1|1,0,0]=3 72 B12R0.158 CC[C@H](C)[C@H](NC(=O)OC)C(=O)O Z756429452 [0,1,0,0,0,1|1,0,0]=3 73 B12R0.249 COC(=O)C(NCCN)C(=O)OC Z4890698342 [0,2,0,0,0,0|2,0,0]=4 74 B12R0.73 CCOC(=O)C(CC(=O)C)C(=O)C Z1201619756 [0,2,0,0,0,0|1,0,1]=4 75 B12R0.337 CCOC(=O)C(CCC#N)C(=O)C Z119974118 [0,2,0,0,0,0|1,0,1]=4 76 B12R0.602 CCCC(C(=O)OCC)S(=O)(=O)N Z1565831724 [0,2,0,0,0,0|1,0,1]=4 77 B10R1.2 CN1CCCC(C1=O)CO Z1255357749 [1,0,0,1,0,0|1,0,1]=4 78 B10R1.14 CC1CC(CO1)C(=O)CCl Z1762860630 [1,0,0,1,0,0|1,0,1]=4 79 B10R1.15 CCC(=O)C1CCCCC1 Z513735268 [1,0,0,1,0,0|1,0,1]=4 80 B10R1.15 CNC(=O)C1CCCOC1 Z1081530748 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.19 O=C1CCCCCN1CO Z162882232 [1,0,0,1,0,0|1,0,1]=4 82 B10R1.19 O=C1NCCCCC1CO Z2756841892 [1,0,0,1,0,0|1,0,1]=4 83 B10R1.19 O=CC1CCCCCC1=O Z854045270 [1,0,0,1,0,0|0,0,0]=2 84 B10R1.20 CCC1CCCCC1C=O Z1183459036 [1,0,0,1,0,0|1,0,1]=4 85 B10R1.30 CC1CCC(=O)C(C1)C=O Z854045786 [1,0,0,1,0,0|0,0,0]=2 86 B10R1.30 CCC1CC(CCC1=O)C Z854046008 [1,0,0,1,0,0|1,0,1]=4 87 B10R1.149 COC(=O)C1SCCC1=O Z1162449360 [1,0,0,1,0,0|2,0,0]=4 88 B10R1.149 O=C(CCl)N1CCCC1=O Z56900890 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.187 NCCN1C(=O)CCC1=O Z1267881623 [1,0,0,1,0,0|2,0,0]=4 90 B10R1.422 COC(=O)C1(CCC1)C=O Z1255401178 [1,0,0,1,0,0|1,0,0]=3 91 B10R1.422 COC(=O)C1(CCC1)CO Z1532717307 [1,0,0,1,0,0|1,0,1]=4 92 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [1,0,0,1,0,0|0,0,1]=3 93 B10R1.39 CCC1CCNC1C(=O)O Z1262517253 [1,0,0,1,0,0|1,0,0]=3 94 B10R1.39 CCC1NCCC1C(=O)O Z2096659316 [1,0,0,1,0,0|1,0,1]=4 95 B10R1.39 CCC1OCCC1C(=O)O Z1318264615 [1,0,0,1,0,0|1,0,1]=4 96 B10R1.39 CC[C@@H]1CCO[C@@H]1C(=O)O Z2525786659 [1,0,0,1,0,0|1,0,0]=3 97 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Z2213889147 [1,0,0,1,0,0|1,0,1]=4 98 B10R1.58 C[C@@H]1C[C@@H](CN1C)C(=O)O Z3678692412 [1,0,0,1,0,0|1,0,1]=4 99 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [1,0,0,1,0,0|1,0,1]=4 100 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [1,0,0,1,0,0|1,0,1]=4 101 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [1,0,0,1,0,0|0,0,1]=3 102 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [1,0,0,1,0,0|1,0,0]=3 103 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [1,0,0,1,0,0|1,0,0]=3 104 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [1,0,0,1,0,0|1,0,1]=4 106 B10R1.113 CN1CCOC(C1)C(=O)O Z1269638422 [1,0,0,1,0,0|2,0,0]=4 107 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [1,0,0,1,0,0|1,0,0]=3 108 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [1,0,0,1,0,0|1,0,1]=4 109 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [1,0,0,1,0,0|1,0,1]=4 110 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [1,0,0,1,0,0|1,0,1]=4 111 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [1,0,0,1,0,0|1,0,1]=4 112 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [1,0,0,1,0,0|1,0,1]=4 113 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [1,0,0,1,0,0|1,0,1]=4 114 B10R1.348 CC(=O)C1CCCCCC1 Z1255452291 [1,0,0,1,0,0|1,0,1]=4 115 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [1,0,0,1,0,0|1,0,0]=3 116 B10R1.348 O=C(O)C1CCCCNC1 Z2310702448 [1,0,0,1,0,0|1,0,1]=4 117 B10R1.348 O=C(O)C1CCCOCC1 Z1258684735 [1,0,0,1,0,0|1,0,1]=4 118 B10R1.348 O=C(O)C1CNCCCN1 Z2044769174 [1,0,0,1,0,0|2,0,0]=4 119 B10R1.381 CCCC1(CCC1)C(=O)O Z1205494252 [1,0,0,1,0,0|0,0,1]=3 120 B10R1.381 COCC1(CCC1)C(=O)O Z1198323201 [1,0,0,1,0,0|1,0,1]=4 121 B10R1.381 NCCC1(CCC1)C(=O)O Z2310673784 [1,0,0,1,0,0|1,0,1]=4 122 B10R1.61 CN1CCCCC1C(=O)O Z1259339901 [1,0,0,1,0,0|2,0,0]=4 123 B10R1.61 CN1CCCC[C@@H]1C(=O)O Z1205493960 [1,0,0,1,0,0|2,0,0]=4 124 B10R1.61 CN1CCCC[C@H]1C(=O)O Z1205494199 [1,0,0,1,0,0|2,0,0]=4 125 B10R1.61 NC1CCCCC1C(=O)O Z1374884261 [1,0,0,1,0,0|1,0,1]=4 126 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Z2306832317 [1,0,0,1,0,0|1,0,1]=4 127 B10R1.61 O=C(O)C1=C(CCCC1)Cl Z198749560 [1,0,0,1,0,0|1,0,1]=4 128 B10R1.61 O=C(O)C1CCCCC1O Z1080722428 [1,0,0,1,0,0|0,0,2]=4 129 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Z3326512742 [1,0,0,1,0,0|0,0,2]=4 130 B10R1.194 CN1CCC(C1=O)C(=O)O Z1205494535 [1,0,0,1,0,0|1,0,0]=3 131 B10R1.425 CCC(=O)C1(CC1)C(=O)O Z1721260219 [1,0,0,1,0,0|0,0,0]=2 132 B10R1.425 CNC(=O)C1(CC1)C(=O)O Z951182620 [1,0,0,1,0,0|1,0,0]=3 133 B10R1.425 COC(=O)C1(CC1)C(=O)O Z1201623872 [1,0,0,1,0,0|1,0,0]=3 134 B10R1.128 CC1(CCCC1C(=O)O)C Z1205494169 [1,0,0,1,0,0|1,0,1]=4 135 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N Z2306832357 [1,0,0,1,0,0|1,0,1]=4 136 B10R1.128 O=C(O)C1CCCS1(=O)=O Z1259179102 [1,0,0,1,0,0|2,0,0]=4 137 B10R1.357 CN(C)C(C(=O)O)C1CC1 Z1483957023 [1,0,0,1,0,0|2,0,0]=4 138 B10R1.364 O=C(O)C1(CCC1)C(=O)O Z1205493599 [1,0,0,1,0,0|1,0,0]=3 139 B12R1.210 O=C(O)CC1CCCCNC1=O Z1262530899 [0,0,0,1,0,1|1,0,0]=3 140 B12R1.224 NC1CCCN(C1=O)CC(=O)O Z3484325049 [0,0,0,1,0,1|2,0,0]=4 141 B12R1.368 CCC(=O)N1CSCC1C(=O)O Z316101256 [0,0,0,1,0,1|2,0,0]=4 142 B12R1.368 CNC(=O)[C@H]1CCCN1C(=O)C Z1216855779 [0,0,0,1,0,1|2,0,0]=4 143 B12R1.368 COC(=O)C1CCCC1C(=O)O Z1255428485 [0,0,0,1,0,1|1,0,0]=3 144 B12R1.368 COC(=O)C1CCCN1C(=O)C Z66459743 [0,0,0,1,0,1|2,0,0]=4 145 B12R1.368 COC(=O)N1CCCC1C(=O)O Z319610280 [0,0,0,1,0,1|2,0,0]=4 146 B12R1.368 O=C(O)C1CCCN1C(=O)CCl Z336080984 [0,0,0,1,0,1|2,0,0]=4 147 B12R1.371 COC(=O)CC1CCCCC1=O Z1198182982 [0,0,0,1,0,1|2,0,0]=4 148 B12R1.1011 O=C1CCCCCC(C1)C(=O)O Z1262523591 [0,0,0,1,0,1|0,0,0]=2 149 B12R1.1493 COCC1(CCC(=O)N1)C(=O)O Z4649494062 [0,0,0,1,0,1|1,0,0]=3 150 B12R1.365 COC(=O)C1CCCCCC1=O Z56899046 [0,1,0,1,0,0|0,0,0]=2 151 B12R1.365 COC(=O)[C@@H]1CCCCC[C@@H]1N Z1509453602 [0,1,0,1,0,0|1,0,1]=4 152 B12R1.261 CC(C)C1OCCCC1C(=O)O Z1318264633 [0,1,0,1,0,0|0,0,2]=4 153 B12R1.261 CC(C)N1CCCCC1C(=O)O Z1259339941 [0,1,0,1,0,0|2,0,0]=4 154 B12R1.261 CC(C)[C@@H]1OCCC[C@H]1C(=O)O Z2262041787 [0,1,0,1,0,0|0,0,2]=4 155 B12R1.876 CN1CCCCC(C1=O)C(=O)O Z1262530473 [0,1,0,1,0,0|1,0,0]=3 156 B12R1.212 NC1CCCCCCC1C(=O)O Z1404660384 [0,1,0,1,0,0|1,0,1]=4 157 B12R1.283 CCCN1CCCCC1C(=O)O Z763030024 [0,1,0,1,0,0|2,0,0]=4 158 B12R1.308 CCOC(=O)C1CCCCC1=O Z104495370 [0,1,0,1,0,0|1,0,0]=3 159 B12R1.308 CCOC(=O)C1CCCNC1=O Z381545700 [0,1,0,1,0,0|1,0,0]=3 160 B12R1.1599 CCOC(=O)C1(CCC1)C(=O)O Z1198279199 [0,1,0,1,0,0|0,0,0]=2 161 B12R1.1035 CC1(CCCCNC1=O)C(=O)O Z3492502420 [0,1,0,1,0,0|1,0,0]=3 162 B12R2.1387 O=C(O)[C@@H]1CC[C@H]2CC[C@H]1O2 Z3327103110 [0,0,0,2,0,0|0,0,2]=4 163 B12R2.1392 O=C(O)C1CC2CCC1CC2 Z1262512036 [0,0,0,2,0,0|1,0,1]=4 164 B12R2.1392 O=C(O)C1CC2CCC1NC2 Z2235681418 [0,0,0,2,0,0|1,0,1]=4 165 B12R2.1123 CC1CC2CC2CC1C(=O)O Z2768392449 [0,0,0,2,0,0|1,0,1]=4 166 B12R2.2025 N[C@@H]1[C@H]([C@@H]2[C@H]1CCC2)C(=O)O Z3766483964 [0,0,0,2,0,0|1,0,1]=4 167 B12R2.2030 N[C@@H]1[C@H]([C@H]2CC[C@@H]1C2)C(=O)O Z3016124597 [0,0,0,2,0,0|1,0,1]=4 168 B12R2.2030 N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)O Z3006147022 [0,0,0,2,0,0|1,0,1]=4 169 B12R2.2317 O=C1C2CCCC1C(CC2)O Z1513599139 [0,0,0,2,0,0|1,0,1]=4 170 B12R2.6500 O=C(O)C1(CCC1)C2CCC2 Z1717761874 [0,0,0,2,0,0|1,0,1]=4 171 B10R0.79 CCCC(=CC(=O)O)CCC Z352748434 [1,0,0,0,0,1|0,0,2]=4 172 B10R0.79 CCCC(CCC)CC(=O)O Z352782862 [1,0,0,0,0,1|0,0,1]=3 173 B10R0.79 CCOC(CC(=O)O)OCC Z1198167137 [1,0,0,0,0,1|2,0,0]=4