0 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SPC-g127 [0,0,0,1,0,0|2,0,1]=4 1 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SPC-m778 [0,0,0,1,0,0|2,0,1]=4 2 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SPC-t597 [0,0,0,1,0,0|2,0,1]=4 3 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 SPC-h594 [0,0,0,1,0,0|2,0,0]=3 4 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 SPC-g806 [0,0,0,1,0,0|3,0,0]=4 5 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 SPC-p725 [0,0,0,1,0,0|3,0,0]=4 6 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SPC-h678 [0,0,0,1,0,0|2,0,0]=3 7 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SPC-k770 [0,0,0,1,0,0|2,0,0]=3 8 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SPC-k492 [0,0,0,1,0,0|2,0,0]=3 9 B9R1.35 O=C1C[C@H](C(=O)O)CN1 SPC-j969 [0,0,0,1,0,0|2,0,0]=3 10 B9R1.152 C=C1CC(C)(C(=O)O)C1 SPC-m876 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.152 CC1(C(=O)O)CC(=O)C1 SPC-i556 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.152 NC1(C(=O)O)CC(O)C1 SPC-s756 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.161 NC(=O)C1CC1C(=O)O SPC-k404 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.164 CC1(O)CC(C(=O)O)C1 SPC-h988 [0,0,0,1,0,0|2,0,1]=4 15 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [2,0,0,0,0,0|1,0,1]=4 16 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [2,0,0,0,0,0|1,0,1]=4 17 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O SPC-q942 [0,1,0,0,0,1|1,0,0]=3 18 B10R0.56 COC(=O)N(C)[C@@H](C)C(=O)O SPC-n712 [0,2,0,0,0,0|2,0,0]=4 19 B10R0.56 COC(=O)N(C)[C@H](C)C(=O)O SPC-q622 [0,2,0,0,0,0|2,0,0]=4 20 B8R1.34 O=C(O)CC1COC1 SPC-a018 [1,0,0,1,0,0|1,0,1]=4 21 B8R1.7 O=C(O)C1CC=CC1 SPC-g185 [1,0,0,1,0,0|2,0,0]=4 22 B8R1.7 O=C(O)[C@@H]1CCOC1 SPC-h613 [1,0,0,1,0,0|1,0,1]=4 23 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-g501 [1,0,0,1,0,0|1,0,1]=4 24 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-j337 [1,0,0,1,0,0|1,0,1]=4 25 B8R1.23 C=C1CC(C(=O)O)C1 SPC-g775 [1,0,0,1,0,0|2,0,0]=4 26 B8R1.23 O=C(O)C1CC(O)C1 SPC-p384 [1,0,0,1,0,0|1,0,1]=4 27 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SPC-h918 [1,0,0,1,0,0|1,0,1]=4 28 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SPC-i654 [1,0,0,1,0,0|1,0,1]=4 29 B8R1.23 O=C1CC(C(=O)O)C1 SPC-g640 [1,0,0,1,0,0|1,0,0]=3 30 B8R1.23 O=C1C[C@@H](C(=O)O)N1 SPC-i679 [1,0,0,1,0,0|1,0,0]=3 31 B8R1.23 O=C1C[C@@H](C(=O)O)O1 SPC-u889 [1,0,0,1,0,0|0,0,0]=2 32 B8R1.23 O=C1C[C@H](C(=O)O)N1 SPC-i186 [1,0,0,1,0,0|1,0,0]=3 33 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [1,0,0,1,0,0|1,0,1]=4 34 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [1,0,0,1,0,0|1,0,1]=4 35 B8R1.78 O=C(O)C1(O)CCC1 SPC-n942 [1,0,0,1,0,0|1,0,1]=4 36 B8R1.78 O=C(O)C1(O)CNC1 SPC-p383 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.78 O=C(O)C1(O)COC1 SPC-r004 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.13 O=C1CCC(C(=O)O)CC1 SPC-g716 [0,0,0,1,0,1|2,0,0]=4 39 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 SPC-v713 [0,0,0,1,0,1|2,0,0]=4 40 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 SPC-h266 [0,0,0,1,0,1|2,0,0]=4 41 B10R1.58 O=C1N[C@H](C(=O)O)C[C@@H]1F SPC-v663 [0,0,0,1,0,1|2,0,0]=4 42 B10R1.349 CC(=O)N1CC(C(=O)O)C1 SPC-s755 [0,0,0,1,0,1|2,0,0]=4 43 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 SPC-j752 [0,1,0,1,0,0|2,0,0]=4 44 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 SPC-g812 [0,1,0,1,0,0|2,0,0]=4 45 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 SPC-h676 [0,1,0,1,0,0|2,0,0]=4 46 B10R1.408 COC(=O)C1CC1C(=O)O SPC-k406 [0,1,0,1,0,0|1,0,0]=3 47 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O SPC-q815 [0,1,0,1,0,0|1,0,0]=3 48 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O SPC-k408 [0,1,0,1,0,0|1,0,0]=3 49 B10R1.424 COC(=O)C1(C)CC(=O)C1 SPC-h893 [0,1,0,1,0,0|2,0,0]=4 50 B10R1.113 O=C1C[C@@H](C(=O)O)CCN1 SPC-j634 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.361 O=C(O)C1CCC1C(=O)O SPC-s478 [0,1,0,1,0,0|1,0,0]=3 52 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O SPC-i675 [0,1,0,1,0,0|1,0,0]=3