0 B9R0.48 CCOC(=O)C=CC(=O)O PI-47111 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.48 CCOC(=O)C=CN(C)C PI-13247 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.48 CCOC(=O)CCC(=O)Cl PI-12811 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.48 CCOC(=O)CNC(=O)C PI-33248 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.1 CCOC(=O)C=CC=O PI-40874 [1,0,0,0,0,0|0,0,2]=3 5 B8R0.1 CCOC(=O)CCC#C PI-40902 [1,0,0,0,0,0|0,0,2]=3 6 B8R0.1 CCOC(=O)CCCBr PI-45007 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.1 CCOC(=O)CCCN PI-42166 [1,0,0,0,0,0|1,0,1]=3 8 B8R0.1 CCOC(=O)CCSC PI-48514 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.1 CCOC(=O)CNC=O PI-33233 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.1 O=C(OCC)CCNC PI-40053 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.1 [N-]=[N+]=NCC(=O)OCC PI-22050 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.7 CCCCCCC(=O)[O-] PI-46862 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.7 CCOCCOC(=O)Cl PI-48465 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 CCOCCOC(C)=O PI-12911 [1,0,0,0,0,0|1,0,1]=3 15 B8R0.7 ClCOCCOC(=O)C PI-36404 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.9 CCC(C)CCC(O)=O PI-37097 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.9 COC(=O)CCC(=O)Cl PI-13416 [1,0,0,0,0,0|1,0,0]=2 18 B8R0.9 NCC(=O)CCC(=O)O PI-10027 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.9 NCC(=O)NCC(=O)O PI-10062 [1,0,0,0,0,0|3,0,0]=4 20 B10R0.26 CCCC(=O)NC(C)C(=O)O PI-22844 [0,1,0,0,0,0|3,0,0]=4 21 B10R0.26 CCCS(=O)CC(C(=O)O)N PI-48456 [0,1,0,0,0,0|3,0,0]=4 22 B10R0.26 CCOC(=O)CC(=C)C(=O)O PI-47077 [0,1,0,0,0,0|1,0,1]=3 23 B10R0.26 CCOC(=O)CC(=O)C(C)C PI-24578 [0,1,0,0,0,0|1,0,2]=4 24 B10R0.32 CCOC(=O)C(=O)CC(=O)C PI-37755 [0,1,0,0,0,0|0,0,1]=2 25 B10R0.32 CCOC(=O)C(CC(C)C)N PI-33215 [0,1,0,0,0,0|1,0,1]=3 26 B10R0.96 CN(C)NC(=O)CCC(=O)O PI-50410 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.1 CCCN1CCC(=O)CC1 PI-33319 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.64 C1CC(=O)N(C1)CC(=O)N PI-13567 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.64 CC(=O)NC1CCSC1=O PI-12538 [0,0,0,1,0,0|1,1,0]=3 30 B10R1.113 C1CC(NC(=O)C1)C(=O)O PI-25461 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.113 O=C1CCCC(N1)C(=O)O PI-25511 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.113 O=C1CN(C(C)=O)CCC1 PI-40981 [0,0,0,1,0,0|2,0,0]=3 33 B10R1.140 CCOC(=O)C1CC(=O)C1 PI-38970 [0,0,0,1,0,0|0,0,0]=1 34 B8R0.5 CC(Br)CC(OCC)=O PI-40060 [0,0,0,0,1,0|1,0,1]=3 35 B8R0.5 CCOC(=O)C=C(C)N PI-42740 [0,0,0,0,1,0|1,0,1]=3 36 B8R0.5 CCOC(=O)CC(=O)Cl PI-39034 [0,0,0,0,1,0|1,0,0]=2 37 B8R0.5 CCOC(=O)CC(=O)N PI-18885 [0,0,0,0,1,0|1,0,0]=2 38 B8R0.5 CCOC(=O)CC(=O)O PI-15251 [0,0,0,0,1,0|1,0,0]=2 39 B8R0.5 CCOC(=O)CC(C)O PI-12942 [0,0,0,0,1,0|0,0,2]=3 40 B8R0.5 CCOC(=O)CN(C)C PI-15686 [0,0,0,0,1,0|2,0,0]=3 41 B8R0.5 CCOC(=O)NC(=O)N PI-47058 [0,0,0,0,1,0|2,0,0]=3 42 B8R0.5 CCOC(=O)OC(C)Cl PI-13414 [0,0,0,0,1,0|2,0,1]=4 43 B8R0.5 CCOC(=O)\C=C(\C)/N PI-11270 [0,0,0,0,1,0|1,0,1]=3 44 B8R0.5 C[C@H](O)CC(OCC)=O PI-37307 [0,0,0,0,1,0|0,0,2]=3 45 B8R0.5 O=C([O-])CC(OCC)=O PI-18759 [0,0,0,0,1,0|1,0,0]=2 46 B8R0.5 [O-][N+](=O)CC(=O)OCC PI-22110 [0,0,0,0,1,0|2,0,0]=3 47 B10R0.3 CCOC(=O)CCCC(=O)O PI-19044 [0,0,0,0,0,1|1,0,0]=2 48 B7R0.3 COC(=O)CCC#C PI-39349 [2,0,0,0,0,0|0,0,2]=4 49 B7R0.3 COC(=O)CCC=O PI-48276 [2,0,0,0,0,0|0,0,0]=2 50 B7R0.3 COC(=O)CCCBr PI-44980 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.3 COC(=O)CCCN PI-42165 [2,0,0,0,0,0|1,0,1]=4 52 B7R0.3 COC(=O)CCSC PI-45979 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.3 COC(=O)CNC=O PI-33232 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.3 O=C(OC)CCNC PI-40057 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.7 CCCC(=O)OCCl PI-36667 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.7 CCOC(=O)C#CC PI-22064 [2,0,0,0,0,0|0,0,2]=4 57 B7R0.7 CCOC(=O)COC PI-50353 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.7 CCOC(=O)CSC PI-39857 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.7 CCOC(=O)C[N+]#[C-] PI-50608 [2,0,0,0,0,0|1,0,1]=4 60 B7R0.7 CNCC(=O)OCC PI-30682 [2,0,0,0,0,0|1,0,0]=3 61 B7R0.7 NCCC(=O)OCC PI-33213 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.7 OCCC(=O)OCC PI-39562 [2,0,0,0,0,0|0,0,1]=3 63 B7R0.4 CC(=O)CCCCCl PI-28023 [2,0,0,0,0,0|1,0,1]=4 64 B7R0.4 CCO\C=C\C(=O)O PI-41236 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.4 COCCOC(=O)C PI-12910 [2,0,0,0,0,0|1,0,1]=4 66 B7R0.6 C(CC(=O)[O-])C(=O)[O-] PI-13200 [2,0,0,0,0,0|1,0,1]=4 67 B7R0.6 C(C[N+](=O)[O-])C(=O)O PI-41737 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.6 CC(=C)COC(=O)C PI-47091 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.6 CC(=O)C=CC(=O)O PI-29616 [2,0,0,0,0,0|0,0,2]=4 70 B7R0.6 CC(=O)CCC(=O)C PI-48500 [2,0,0,0,0,0|0,0,0]=2 71 B7R0.6 CC(=O)NCC(=O)C PI-36400 [2,0,0,0,0,0|1,0,0]=3 72 B7R0.6 CC(=O)NCC(=O)O PI-33247 [2,0,0,0,0,0|1,0,0]=3 73 B7R0.6 CC(=O)NNC(=O)C PI-30465 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.6 CC(=O)OCC(=O)O PI-26120 [2,0,0,0,0,0|1,0,0]=3 76 B7R0.6 CC(C)CCC(=O)O PI-25767 [2,0,0,0,0,0|1,0,1]=4 77 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [2,0,0,0,0,0|2,0,0]=4 78 B7R0.6 O=C([O-])CCC([O-])=O PI-13219 [2,0,0,0,0,0|1,0,1]=4 79 B9R0.5 C(C(OCC)=O)CCCBr PI-40015 [1,1,0,0,0,0|0,0,1]=3 80 B9R0.5 CCOC(=O)C=CC=CC PI-15819 [1,1,0,0,0,0|0,0,2]=4 81 B9R0.5 CCOC(=O)CCN=C=O PI-19662 [1,1,0,0,0,0|0,0,1]=3 82 B9R0.5 O=C(OCC)COCCCl PI-41952 [1,1,0,0,0,0|1,0,1]=4 83 B9R0.34 CCOC(=O)CC(CBr)O PI-10817 [1,1,0,0,0,0|1,0,1]=4 84 B9R0.34 CCOC(=O)CC(CCl)O PI-38020 [1,1,0,0,0,0|1,0,1]=4 85 B9R0.34 CCOC(=O)C[C@@H](O)CCl PI-11565 [1,1,0,0,0,0|1,0,1]=4 86 B9R0.34 CCOC(=O)C[C@H](O)CCl PI-11564 [1,1,0,0,0,0|1,0,1]=4 87 B9R0.35 C(C)CC(C(OCC)=O)=O PI-31731 [1,1,0,0,0,0|0,0,2]=4 88 B9R0.35 CCCC(C(=O)OCC)Br PI-19764 [1,1,0,0,0,0|0,0,1]=3 89 B9R0.35 CCOC(=O)[C@H](CC=C)N PI-48082 [1,1,0,0,0,0|0,0,1]=3 90 B9R0.46 CCOCCOC(=O)CCl PI-22753 [1,1,0,0,0,0|1,0,1]=4 91 B9R0.23 CC(=O)CC(=O)C(=O)OC PI-29316 [1,1,0,0,0,0|0,0,1]=3 92 B9R0.23 CC(C(=O)OC)NC(=O)C PI-26364 [1,1,0,0,0,0|1,0,0]=3 93 B9R0.23 CC(C)CC(C(=O)OC)N PI-14279 [1,1,0,0,0,0|1,0,1]=4 94 B9R0.23 CCC(=O)C(C)CN(C)C PI-49397 [1,1,0,0,0,0|2,0,0]=4 95 B9R0.23 COC(=O)[C@H](CC(=O)O)N PI-37616 [1,1,0,0,0,0|1,0,0]=3 96 B9R0.23 N[C@@H](CC(C)C)C(OC)=O PI-25825 [1,1,0,0,0,0|1,0,1]=4 97 B9R0.24 COC(=O)C#CC(=O)OC PI-36955 [1,1,0,0,0,0|0,0,2]=4 98 B9R0.42 COC(=O)CC(=C)C(=O)O PI-47078 [1,1,0,0,0,0|1,0,1]=4 99 B9R0.42 COC(=O)CC(C(=O)O)N PI-48757 [1,1,0,0,0,0|1,0,0]=3 100 B9R0.42 COC(=O)C[C@@H](C(=O)O)N PI-13089 [1,1,0,0,0,0|1,0,0]=3 101 B9R0.6 CCOC(=O)C(C(C)C)Br PI-11269 [0,1,0,0,1,0|1,0,1]=4 102 B9R0.6 CCOC(=O)C(C(C)C)N PI-31091 [0,1,0,0,1,0|1,0,1]=4 103 B9R0.6 CCOC(=O)C(C(C)O)N PI-33222 [0,1,0,0,1,0|0,0,2]=4 104 B9R0.6 CCOC(=O)C(C)C(=O)C PI-33892 [0,1,0,0,1,0|0,0,0]=2 105 B9R0.44 CCOC(=O)CC(C)(C)C PI-50549 [0,1,0,0,1,0|1,0,1]=4 106 B9R0.44 CCOC(=O)CC(C)(C)N PI-45592 [0,1,0,0,1,0|1,0,1]=4 107 B9R0.44 CCOC(=O)CS(=O)(=O)C PI-22100 [0,1,0,0,1,0|1,0,0]=3 108 B9R0.44 CCOC(=O)C[Si](C)(C)C PI-35339 [0,1,0,0,1,0|1,1,0]=4 109 B9R0.53 CC(C)OC(=O)\C=C(\C)/N PI-11272 [0,1,0,0,1,0|1,0,1]=4 110 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O PI-15368 [0,1,0,0,0,1|2,0,0]=4 111 B11R0.141 CCOC(=O)CCC(C(=O)O)N PI-19054 [0,1,0,0,0,1|1,0,0]=3 112 B11R0.43 CCC(=O)CC(=O)C(=O)OCC PI-50427 [0,2,0,0,0,0|0,0,1]=3 113 B11R0.56 CCOC(=O)C(C#N)NC(=O)C PI-18584 [0,2,0,0,0,0|1,0,0]=3 114 B11R0.186 CCOC(=O)C(CC(C)(C)F)N PI-42889 [0,2,0,0,0,0|1,0,1]=4 115 B11R0.120 COC(=O)CCC(=O)C(=O)OC PI-13079 [0,2,0,0,0,0|2,0,0]=4 116 B11R0.34 CC(C)(C)OC(=O)NCC(=O)N PI-43234 [0,2,0,0,0,0|2,0,0]=4 117 B11R0.34 CC(C)(C)OC(=O)NCC(=O)O PI-27602 [0,2,0,0,0,0|2,0,0]=4 118 B11R0.34 O=C(OC(C)(C)C)CCC(=O)O PI-39134 [0,2,0,0,0,0|1,0,0]=3 119 B11R0.62 CCOC(=O)\N=N\C(=O)OCC PI-24202 [0,2,0,0,0,0|2,0,0]=4 120 B11R0.170 CCOC(=O)CCC(CO)(F)F PI-49265 [0,2,0,0,0,0|1,0,1]=4 121 B9R1.27 CCC1=C(CNC1=O)C PI-16775 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.27 CCC1C(=O)CCC1=O PI-16420 [1,0,0,1,0,0|1,0,0]=3 123 B9R1.49 CN1CCC(=O)NCC1 PI-48290 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.49 CN1CCCC(=O)CC1 PI-45965 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.50 C1CCCNC(=O)CC1 PI-38929 [1,0,0,1,0,0|1,0,1]=4 126 B9R1.73 CCOC(=O)C1CCC1 PI-33318 [1,0,0,1,0,0|0,0,1]=3 127 B9R1.6 C1CC(CC=C1)C(=O)O PI-41428 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.6 C1COCCC1C(=O)N PI-40557 [1,0,0,1,0,0|1,0,1]=4 129 B9R1.6 CC(=O)N1CCOCC1 PI-32154 [1,0,0,1,0,0|1,0,1]=4 130 B9R1.6 CC(C1CCOCC1)=O PI-42683 [1,0,0,1,0,0|0,0,1]=3 131 B9R1.6 O=C(Cl)C1CCOCC1 PI-41795 [1,0,0,1,0,0|1,0,1]=4 132 B9R1.6 OC(=O)[C@@H]1CCC=CC1 PI-41429 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.13 C1COCC1CC(=O)O PI-45427 [1,0,0,1,0,0|1,0,1]=4 134 B9R1.1 CCC1CCC(=O)CC1 PI-36670 [1,0,0,1,0,0|1,0,1]=4 135 B9R1.1 CCN1CCC(=O)CC1 PI-14889 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.1 COC1CCC(CC1)=O PI-40302 [1,0,0,1,0,0|1,0,1]=4 137 B9R1.10 O=[S]1(CCC(CC1)=O)=O PI-40194 [1,0,0,1,0,0|2,0,0]=4 138 B9R1.35 C1CC(=O)NC1C(=O)O PI-10056 [1,0,0,1,0,0|2,0,0]=4 139 B9R1.35 O=C1CCC(C1)C(=O)O PI-34867 [1,0,0,1,0,0|1,0,0]=3 140 B9R1.35 O=C1CC[C@H](N1)C(=O)O PI-33313 [1,0,0,1,0,0|2,0,0]=4 141 B9R1.35 O=C1CC[C@H](O1)C(=O)O PI-39065 [1,0,0,1,0,0|2,0,0]=4 142 B9R1.35 O=C1CNC(C1)C(=O)O PI-36300 [1,0,0,1,0,0|2,0,0]=4 143 B9R1.82 COC(=O)C1CC(=O)C1 PI-48951 [1,0,0,1,0,0|0,0,0]=2 144 B9R1.82 COC(=O)C1CC(C1)O PI-45752 [1,0,0,1,0,0|0,0,2]=4 145 B9R1.82 O=C([C@H]1C[C@@H](N)C1)OC PI-41849 [1,0,0,1,0,0|1,0,1]=4 146 B9R1.34 CC1CC(=O)CC(=O)C1 PI-30620 [0,0,0,1,1,0|1,0,0]=3 147 B11R1.15 CCOC(=O)C1CCC(=O)C1 PI-42490 [0,0,0,1,0,1|0,0,0]=2 148 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 PI-34624 [0,0,0,1,0,1|1,0,0]=3 149 B11R1.645 CC(=O)OC1CC(=O)OC1=O PI-26772 [0,0,0,1,0,1|1,0,1]=4 150 B11R1.645 CC(=O)OC1CC(=O)OC1=O PI-27921 [0,0,0,1,0,1|1,0,1]=4 151 B11R1.645 CC(=O)SC1CC(=O)OC1=O PI-29850 [0,0,0,1,0,1|1,0,1]=4 152 B11R1.287 C=CCOC(=O)N1CC(=O)C1 PI-36055 [0,1,0,1,0,0|1,0,1]=4 153 B11R1.489 O=C1CC(C(=O)O)C(C)(C)O1 PI-17964 [0,1,0,1,0,0|1,0,0]=3 154 B11R1.228 O=C(NC1CCSC1=O)CCl PI-38599 [0,1,0,1,0,0|1,1,0]=4 155 B7R0.2 CC(=CC(=O)OC)C PI-13263 [1,0,0,0,1,0|1,0,1]=4 156 B7R0.2 CC(=CC(=O)OC)N PI-13659 [1,0,0,0,1,0|1,0,1]=4 157 B7R0.2 CC(CC(=O)OC)N PI-42254 [1,0,0,0,1,0|1,0,1]=4 158 B7R0.2 CC(CC(=O)OC)O PI-42249 [1,0,0,0,1,0|0,0,2]=4 159 B7R0.2 CC(CC(=O)OC)O PI-42250 [1,0,0,0,1,0|0,0,2]=4 160 B7R0.2 COC(=O)CC(C)N PI-42155 [1,0,0,0,1,0|1,0,1]=4 161 B7R0.2 COC(=O)C[N+](=O)[O-] PI-40485 [1,0,0,0,1,0|2,0,0]=4 162 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [1,0,0,0,1,0|1,0,1]=4 163 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [1,0,0,0,1,0|1,0,1]=4 164 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [1,0,0,0,1,0|1,0,0]=3 165 B7R0.5 CCOC(=O)C(=C)Br PI-35460 [0,0,0,0,2,0|1,0,1]=4 166 B7R0.5 CCOC(=O)C(=S)N PI-34781 [0,0,0,0,2,0|1,1,0]=4 167 B7R0.5 CCOC(=O)C(C)Br PI-44612 [0,0,0,0,2,0|1,0,1]=4 168 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [0,0,0,0,2,0|1,0,1]=4 169 B7R0.5 CCOC(=O)C(C)F PI-12305 [0,0,0,0,2,0|1,0,1]=4 170 B7R0.5 CCOC(=O)C(N)C PI-10064 [0,0,0,0,2,0|1,0,1]=4 171 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [0,0,0,0,2,0|1,0,1]=4 172 B11R0.176 CCOC(=O)CCCCC(=O)O PI-25749 [0,0,0,0,0,2|1,0,0]=3 173 B11R0.176 CCOC(=O)CCCOC(=O)C PI-19370 [0,0,0,0,0,2|0,0,0]=2