0 B9R1.10 CC1(C)CCC(=O)CC1 SPC-r386 [0,0,0,1,0,0|2,0,1]=4 1 B9R1.35 CC(C)[C@H]1COC(=O)N1 SPC-s088 [0,0,0,1,0,0|2,0,1]=4 2 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 SPC-h594 [0,0,0,1,0,0|2,0,0]=3 3 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 SPC-g806 [0,0,0,1,0,0|3,0,0]=4 4 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 SPC-p725 [0,0,0,1,0,0|3,0,0]=4 5 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SPC-h678 [0,0,0,1,0,0|2,0,0]=3 6 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SPC-k770 [0,0,0,1,0,0|2,0,0]=3 7 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SPC-k492 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.35 O=C1C[C@H](C(=O)O)CN1 SPC-j969 [0,0,0,1,0,0|2,0,0]=3 9 B9R1.69 CN1C[C@@H](N)CCC1=O SPC-j654 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.82 C=C1CC(C(=O)OC)C1 SPC-h791 [0,0,0,1,0,0|1,0,0]=2 11 B9R1.82 COC(=O)C1CC(=O)C1 SPC-g763 [0,0,0,1,0,0|0,0,0]=1 12 B9R1.82 COC(=O)C1CC(Br)C1 SPC-h673 [0,0,0,1,0,0|1,0,1]=3 13 B9R1.82 COC(=O)C1CC(Cl)C1 SPC-h318 [0,0,0,1,0,0|1,0,1]=3 14 B9R1.82 COC(=O)C1CC(N)C1 SPC-k185 [0,0,0,1,0,0|1,0,1]=3 15 B9R1.82 COC(=O)C1CC(O)C1 SPC-h741 [0,0,0,1,0,0|0,0,2]=3 16 B9R1.82 COC(=O)N1CC(O)C1 SPC-q678 [0,0,0,1,0,0|1,0,2]=4 17 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 SPC-h432 [0,0,0,1,0,0|0,0,2]=3 18 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 SPC-i358 [0,0,0,1,0,0|1,0,1]=3 19 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SPC-h525 [0,0,0,1,0,0|0,0,2]=3 20 B9R1.95 COC1CC(C(=O)O)C1 SPC-i683 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 SPC-i655 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 SPC-i033 [0,0,0,1,0,0|2,0,1]=4 23 B10R0.32 CCOC(=O)C(=O)CC(C)=O SPC-t641 [0,2,0,0,0,0|0,0,1]=3 24 B10R0.56 COC(=O)N(C)[C@@H](C)C(=O)O SPC-n712 [0,2,0,0,0,0|2,0,0]=4 25 B10R0.56 COC(=O)N(C)[C@H](C)C(=O)O SPC-q622 [0,2,0,0,0,0|2,0,0]=4 26 B8R1.3 C[C@H]1CCC(=O)NC1 SPC-p145 [1,0,0,1,0,0|1,0,1]=4 27 B8R1.5 C[C@H]1CNCCC1=O SPC-n076 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.5 C[C@H]1COCCC1=O SPC-p410 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.22 O=C1CCNCCN1 SPC-q669 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.38 COC(=O)C1CNC1 SPC-g203 [1,0,0,1,0,0|1,0,0]=3 31 B8R1.38 COC(=O)C1COC1 SPC-i614 [1,0,0,1,0,0|1,0,0]=3 32 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-h839 [1,0,0,1,0,0|1,0,1]=4 33 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-m118 [1,0,0,1,0,0|1,0,1]=4 34 B8R1.38 COC(=O)[C@H]1CCN1 SPC-h849 [1,0,0,1,0,0|1,0,1]=4 35 B8R1.40 COC(=O)CC1CC1 SPC-k723 [1,0,0,1,0,0|0,0,1]=3 36 B8R1.50 O=C1CCC(=O)N1I SPC-m873 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.4 C[C@@H]1CC(=O)CCN1 SPC-j888 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-j895 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-m537 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-n719 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.7 NC(=O)[C@H]1CCOC1 SPC-m339 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.7 O=C(O)C1CC=CC1 SPC-g185 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.7 O=C(O)[C@@H]1CCOC1 SPC-h613 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-g501 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-j337 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.34 O=C(O)CC1COC1 SPC-a018 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.23 C=C1CC(C(=O)O)C1 SPC-g775 [1,0,0,1,0,0|1,0,0]=3 49 B8R1.23 CC(=O)C1CC(O)C1 SPC-v350 [1,0,0,1,0,0|0,0,2]=4 50 B8R1.23 CC1CC(C(=O)O)C1 SPC-m202 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.23 CN1CC(C(=O)O)C1 SPC-a114 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 SPC-i346 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 SPC-i384 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.23 NC1CC(C(=O)O)C1 SPC-q735 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SPC-h937 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SPC-i508 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.23 O=C(O)C1CC(Cl)C1 SPC-h856 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.23 O=C(O)C1CC(F)C1 SPC-a125 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.23 O=C(O)C1CC(O)C1 SPC-p384 [1,0,0,1,0,0|0,0,2]=4 60 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 SPC-q739 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SPC-h918 [1,0,0,1,0,0|0,0,2]=4 62 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 SPC-h952 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 SPC-q738 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SPC-i654 [1,0,0,1,0,0|0,0,2]=4 65 B8R1.23 O=C1CC(C(=O)O)C1 SPC-g640 [1,0,0,1,0,0|0,0,0]=2 66 B8R1.23 O=C1C[C@@H](C(=O)O)N1 SPC-i679 [1,0,0,1,0,0|1,0,0]=3 67 B8R1.23 O=C1C[C@@H](C(=O)O)O1 SPC-u889 [1,0,0,1,0,0|1,0,0]=3 68 B8R1.23 O=C1C[C@H](C(=O)O)N1 SPC-i186 [1,0,0,1,0,0|1,0,0]=3 69 B10R1.13 O=C1CCC(C(=O)O)CC1 SPC-g716 [0,0,0,1,0,1|2,0,0]=4 70 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 SPC-v713 [0,0,0,1,0,1|2,0,0]=4 71 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 SPC-h266 [0,0,0,1,0,1|2,0,0]=4 72 B10R1.14 COC(=O)C1CCC(Br)C1 SPC-q794 [0,0,0,1,0,1|1,0,1]=4 73 B10R1.14 COC(=O)C1CCC(O)C1 SPC-v019 [0,0,0,1,0,1|0,0,2]=4 74 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 SPC-t232 [0,0,0,1,0,1|1,0,0]=3 75 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 SPC-q782 [0,0,0,1,0,1|0,0,2]=4 76 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 SPC-j752 [0,0,0,1,0,1|0,0,0]=2 77 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 SPC-n417 [0,0,0,1,0,1|1,0,1]=4 78 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 SPC-g812 [0,0,0,1,0,1|0,0,0]=2 79 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 SPC-h676 [0,0,0,1,0,1|0,0,0]=2 80 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 SPC-q175 [0,0,0,1,0,1|0,0,2]=4 81 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 SPC-k674 [0,0,0,1,0,1|1,0,1]=4 82 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 SPC-g385 [0,0,0,1,0,1|0,0,2]=4 83 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 SPC-k419 [0,0,0,1,0,1|1,0,1]=4 84 B10R1.150 COC(=O)CC1CC(=O)C1 SPC-i269 [0,0,0,1,0,1|0,0,0]=2 85 B10R1.150 COC(=O)CC1CC(O)C1 SPC-t420 [0,0,0,1,0,1|0,0,2]=4 86 B10R1.408 COC(=O)C1CC1C(=O)O SPC-k406 [0,0,0,1,0,1|1,0,0]=3 87 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O SPC-q815 [0,0,0,1,0,1|1,0,0]=3 88 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O SPC-k408 [0,0,0,1,0,1|1,0,0]=3 89 B10R1.83 CC1(C)C(=O)C[C@@H]1C(=O)O SPC-i095 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.413 COC(=O)C1CC(C)(C)C1 SPC-h828 [0,1,0,1,0,0|1,0,1]=4 91 B10R1.413 COC(=O)C1CC(F)(F)C1 SPC-h216 [0,1,0,1,0,0|1,0,1]=4 92 B10R1.424 COC(=O)C1(C)CC(=O)C1 SPC-h893 [0,1,0,1,0,0|0,0,0]=2 93 B10R1.424 COC(=O)C1(C)CC(O)C1 SPC-h897 [0,1,0,1,0,0|0,0,2]=4 94 B10R1.424 COC(=O)C1(F)CC(O)C1 SPC-v048 [0,1,0,1,0,0|0,0,2]=4 95 B10R1.169 COC(=O)C1CC(CN)C1 SPC-i222 [0,1,0,1,0,0|1,0,1]=4 96 B10R1.169 COC(=O)C1CC(CO)C1 SPC-q108 [0,1,0,1,0,0|0,0,2]=4 97 B10R1.113 CC(=O)N1CCNC(=O)C1 SPC-p483 [0,1,0,1,0,0|2,0,0]=4 98 B10R1.113 O=C1C[C@@H](C(=O)O)CCN1 SPC-j634 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.140 CCOC(=O)C1CC(=O)C1 SPC-g491 [0,1,0,1,0,0|0,0,0]=2 100 B10R1.140 CCOC(=O)C1CC(Br)C1 SPC-t179 [0,1,0,1,0,0|1,0,1]=4 101 B10R1.140 CCOC(=O)C1CC(O)C1 SPC-m100 [0,1,0,1,0,0|0,0,2]=4 102 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 SPC-i529 [0,1,0,1,0,0|0,0,2]=4 103 B10R2.376 COC(=O)C12CC(C1)C2 SPC-a767 [0,0,0,2,0,0|1,0,1]=4 104 B6R0.3 CON(C)C(C)=O SPC-t100 [0,0,0,0,2,0|2,0,0]=4