0 B8R0.7 CCCCCC=C(F)F PC5676 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.7 CCCCCC[C@@H](C)O OR10015 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.7 CCCCOCC(=O)O OR470003 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.7 NC(=O)CCCCCBr OR322129 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.7 NCCOCCC(=O)O BIPG1030 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.7 O=C(O)CCCCCI OR183411 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.7 O=C(O)CCOCCBr BIPG1321 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.7 O=C(O)CCOCCO BIPG1427 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.4 CC(=O)CCCCCl OR10952 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 CCCCC=C(F)F PC5675 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.4 CCCCCB(O)O OR360127 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.4 CCCCCC(C)=O OR10122 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.4 CCCCC[C@@H](C)O OR304043 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.4 CCCCC[C@H](C)O OR304044 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.4 CCC\C=C\C(=O)O OR301183 [1,0,0,0,0,0|0,0,0]=1 15 B7R0.4 CSCCCC(=O)O OR307008 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.4 NCCCCC(=O)O OR24917 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.4 O=C(O)COCCBr BIPG1337 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.2 CCCCCC#CC(=O)O OR22085 [0,1,0,0,0,0|0,0,2]=3 19 B9R0.2 CNCCOCCC(=O)O BIPG1535 [0,1,0,0,0,0|1,0,2]=4 20 B9R0.2 COCCOCCC(=O)O BIPG1541 [0,1,0,0,0,0|1,0,2]=4 21 B9R0.38 CCCCC=CC(F)(F)Br PC1390P [0,1,0,0,0,0|2,0,1]=4 22 B9R0.38 CCCC\C=C\C(F)(F)F PC10087 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.48 CCCC(Cl)CCC(=O)Cl OR470811 [0,1,0,0,0,0|1,0,2]=4 24 B9R0.48 CCOC(=O)\C=C\C(C)=O OR22026 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.55 CC(C)CCCCC(=O)Cl OR53088 [0,1,0,0,0,0|1,0,2]=4 26 B9R0.55 CC(C)CC\C=C\B(O)O OR361439 [0,1,0,0,0,0|1,0,1]=3 27 B9R1.6 O=C(O)C1CCNCC1 OR6322 [0,0,0,1,0,0|1,0,2]=4 28 B9R1.6 O=C(O)C1CNCCS1 OR315576 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.6 O=C(O)C1COCCN1 OR301290 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.6 O=C(O)[C@@H]1COCCN1 OR308162 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.6 O=C(O)[C@H]1COCCN1 OR305311 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.7 CCCC1=CC=C(Br)S1 OR305587 [0,0,0,1,0,0|1,1,1]=4 33 B9R1.13 O=C(O)CC1CCCO1 OR480227 [0,0,0,1,0,0|1,0,2]=4 34 B9R1.13 O=C(O)CC1CCOC1 OR321471 [0,0,0,1,0,0|1,0,2]=4 35 B9R1.41 CC1=C(C(=O)O)C=CO1 OR345127 [0,0,0,1,0,0|1,0,2]=4 36 B9R1.41 CC1=NNC=C1C(=O)O OR345093 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.41 CC1=NSC=C1C(=O)O OR300653 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O OR315136 [0,0,0,1,0,0|1,0,2]=4 39 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O OR315137 [0,0,0,1,0,0|1,0,2]=4 40 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O OR307527 [0,0,0,1,0,0|1,0,2]=4 41 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O OR307663 [0,0,0,1,0,0|1,0,2]=4 42 B9R1.50 NC1C=CCCCCC1 OR310351 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.50 O=C1CCCCCCN1 OR25888 [0,0,0,1,0,0|1,0,2]=4 44 B9R1.50 O=C1NCCCCCN1 OR321443 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.84 O=C(O)CNC1COC1 OR312184 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.85 O=C(O)CCNC1CC1 OR471206 [0,0,0,1,0,0|1,0,2]=4 47 B6R0.4 CCCC=C(F)F PC5669 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.4 CCCCC(=N)N OR470546 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.4 CCCCC(C)O OR10018 [2,0,0,0,0,0|1,0,1]=4 50 B6R0.4 CCCC[C@@H](C)O OR304041 [2,0,0,0,0,0|1,0,1]=4 51 B6R0.4 CCNCC(=O)O OR322207 [2,0,0,0,0,0|1,0,0]=3 52 B6R0.4 COCCC(=O)O OR315601 [2,0,0,0,0,0|1,0,0]=3 53 B8R0.5 CCCC(N)CC(=O)O OR307567 [1,1,0,0,0,0|0,0,1]=3 54 B8R0.8 CCOC[C@H](N)C(=O)O OR307096 [1,1,0,0,0,0|1,0,1]=4 55 B8R0.9 CCC(C)COC(=O)Cl OR471440 [1,1,0,0,0,0|2,0,0]=4 56 B8R0.9 CCC(Cl)CCC(=O)Cl OR470809 [1,1,0,0,0,0|1,0,1]=4 57 B8R0.9 CNC(=O)\C=C/C(=O)O OR322103 [1,1,0,0,0,0|1,0,1]=4 58 B8R0.28 CC(C)CCCC(=O)O OR2382 [1,1,0,0,0,0|0,0,1]=3 59 B8R0.28 CC(C)CCOC(=O)Cl OR471322 [1,1,0,0,0,0|2,0,0]=4 60 B8R0.28 CC(C)C\C=C\B(O)O OR361460 [1,1,0,0,0,0|1,0,1]=4 61 B8R0.28 CN(C)C\C=C\C(=O)O OR471113 [1,1,0,0,0,0|1,0,0]=3 62 B10R0.4 CCCCCC\C=C\B(O)O OR10575 [0,2,0,0,0,0|1,0,1]=4 63 B10R0.4 CCOCCOCCC(=O)O OR323150 [0,2,0,0,0,0|0,0,2]=4 64 B10R0.4 NCCOCCOCC(=O)O BIPG1063 [0,2,0,0,0,0|1,0,1]=4 65 B10R0.4 O=C(O)COCCOCCO BIPG1434 [0,2,0,0,0,0|1,0,1]=4 66 B8R1.2 O=CC1=CCCSC1 OR480276 [1,0,0,1,0,0|1,0,0]=3 67 B8R1.2 O=CC1=COCCO1 OR322416 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.8 CNCC1=CC=CO1 OR110977 [1,0,0,1,0,0|1,0,1]=4 69 B8R1.22 O=C1CCCCSC1 OR8959 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.1 O=C1NC[C@H](CO)O1 OR315209 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.7 NC(=O)N1CCCC1 OR302521 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.7 O=C(O)C1=CCCC1 OR322492 [1,0,0,1,0,0|0,0,0]=2 73 B8R1.7 O=C(O)C1CCNC1 OR301045 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.7 O=C(O)C1CCNC1 OR309145 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.7 O=C(O)[C@@H]1CCNC1 OR309146 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.7 O=C(O)[C@H]1CCCO1 OR315017 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.7 O=C(O)[C@H]1CCNC1 OR309147 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.34 CC(=O)C=C1COC1 OR312007 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.34 O=C(O)CC1CNC1 OR451017 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.34 O=C(O)CC1CNC1 PC420016 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.34 O=C(O)CC1COC1 OR308013 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.35 OB(O)\C=C\C1CC1 OR360580 [1,0,0,1,0,0|1,0,1]=4 83 B10R1.13 CC1CCC(C(=O)O)CC1 OR307149 [0,1,0,1,0,0|0,0,2]=4 84 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 OR307147 [0,1,0,1,0,0|0,0,2]=4 85 B10R1.31 CCN1C=C(C(=O)O)C=N1 OR306186 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.18 O=C(O)CC1CCCCN1 OR470052 [0,1,0,1,0,0|0,0,2]=4 87 B10R1.18 O=C(O)CC1CCNCC1 OR8971 [0,1,0,1,0,0|0,0,2]=4 88 B10R1.39 CCC1=C(C(=O)O)SC=N1 OR307007 [0,1,0,1,0,0|1,0,1]=4 89 B10R1.61 CC1CCCC=C1C(=O)O BICR132 [0,1,0,1,0,0|0,0,0]=2 90 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O OR309359 [0,1,0,1,0,0|0,0,2]=4 91 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O OR307112 [0,1,0,1,0,0|0,0,2]=4 92 B10R1.2 CCC1OC=CC(=O)C1=O OR322121 [0,1,0,1,0,0|1,0,1]=4 93 B10R1.15 COC(=O)C1=CCCCC1 OR8858 [0,1,0,1,0,0|0,0,0]=2 94 B10R1.15 COC(=O)C1=CNCCC1 OR470754 [0,1,0,1,0,0|1,0,0]=3 95 B10R1.161 O=CC1=CCCCCCC1 OR346197 [0,1,0,1,0,0|1,0,1]=4 96 B10R1.23 C[C@H](C(=O)O)N1CCCC1 OR471316 [0,1,0,1,0,0|1,0,1]=4 97 B10R1.23 NC(C(=O)O)C1CCCC1 OR451212 [0,1,0,1,0,0|0,0,2]=4 98 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 OR451206 [0,1,0,1,0,0|0,0,2]=4 99 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 OR55190 [0,1,0,1,0,0|1,0,1]=4 100 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 OR480267 [0,1,0,1,0,0|1,0,1]=4 101 B10R1.204 C[C@H](NC1CCC1)C(=O)O OR451129 [0,1,0,1,0,0|1,0,1]=4 102 B10R1.204 NC(CC1CCC1)C(=O)O OR451069 [0,1,0,1,0,0|0,0,2]=4 103 B10R1.363 NC1(C(=O)O)CCCCC1 OR300710 [0,1,0,1,0,0|0,0,2]=4 104 B10R1.363 NC1(C(=O)O)CCCCC1 OR350005 [0,1,0,1,0,0|0,0,2]=4 105 B10R1.363 O=C(O)C1(F)CCCCC1 PC2955 [0,1,0,1,0,0|0,0,2]=4 106 B10R1.128 C[C@@]1(N)CCC[C@@H]1C(=O)O OR309428 [0,1,0,1,0,0|0,0,2]=4 107 B10R2.355 [C@H]12C[C@H]1CN[C@H]2C(=O)O OR310263 [0,0,0,2,0,0|1,0,1]=4 108 B10R2.332 O=C1NCC2(CCC2)O1 OR317079 [0,0,0,2,0,0|1,0,1]=4