0 B8R0.9 NCC(=O)CCC(=O)O A4094 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.9 NCC(=O)CCC(=O)O A4094 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.9 NCC(=O)NCC(=O)O G0812 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.4 CC(=O)CCCCCl C18888 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.6 C(NC(C)=O)C(=O)O A1250 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.6 CC(=O)CNC(C)=O O12675 [1,0,0,0,0,0|1,0,0]=2 6 B9R0.7 CC(S)C(=O)NCC(=O)O T3176 [0,1,0,0,0,0|3,0,0]=4 7 B9R0.7 CC(S)C(=O)NCC(=O)O T3176 [0,1,0,0,0,0|3,0,0]=4 8 B9R0.23 COC(=O)[C@@H](N)CC(=O)O A6325 [0,1,0,0,0,0|1,0,0]=2 9 B9R0.23 COC(=O)[C@@H](N)CC(C)C L5534 [0,1,0,0,0,0|1,0,1]=3 10 B9R0.23 COC(=O)[C@H](N)CC(C)C H8262 [0,1,0,0,0,0|1,0,1]=3 11 B9R0.42 COC(=O)C[C@H](N)C(=O)O A8339 [0,1,0,0,0,0|1,0,0]=2 12 B9R0.43 CCC(CO)CCC(C)=O H11451 [0,1,0,0,0,0|1,0,2]=4 13 B9R0.48 CCOC(=O)\C=C\C(=O)O F0286 [0,1,0,0,0,0|1,0,2]=4 14 B9R1.10 O=C1CCS(=O)(=O)CC1 D11513 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.10 O=C1CCS(=O)(=O)CC1 D11513 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.35 CC(C)[C@@H]1COC(=O)N1 I5890 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.35 CC(C)[C@H]1COC(=O)N1 I2202 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.35 O=C1CCC(C(=O)O)N1 P19419 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P2914 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P2914 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.35 O=C1N[C@H](C(=O)O)CS1 O5524 [0,0,0,1,0,0|2,1,0]=4 22 B7R0.2 COC(=O)C[N+](=O)[O-] M18810 [0,0,0,0,1,0|2,0,0]=3 23 B7R0.2 COC(=O)\C=C(\C)N A18843 [0,0,0,0,1,0|1,0,1]=3 24 B6R0.1 C=CC(=O)CCC H17062 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.1 CNCC(=O)OC M5408 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.1 [C-]#[N+]CC(=O)OC M14376 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.4 COCCC(=N)N M13848 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.4 NCCCC(=O)O A19243 [2,0,0,0,0,0|1,0,1]=4 29 B8R0.3 COC(=O)C(Br)CCBr M18995 [1,1,0,0,0,0|1,0,1]=4 30 B8R0.3 COC(=O)C(Br)CCBr M18995 [1,1,0,0,0,0|1,0,1]=4 31 B8R0.3 COC(=O)C(N)CCBr M13176 [1,1,0,0,0,0|1,0,1]=4 32 B8R0.3 COC(=O)[C@@H](N)CCBr M13187 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.7 CC(=O)OCCOCCl A15221 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.23 C=C(C)C(N)CC(=O)O A14655 [1,1,0,0,0,0|1,0,0]=3 35 B8R0.23 C=C(CC(=O)O)C(=O)O I18874 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.23 CC(=O)C(N)CC(=O)O A14659 [1,1,0,0,0,0|0,0,0]=2 37 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A18048 [1,1,0,0,0,0|1,0,0]=3 38 B8R0.23 CC(C)C[C@@H](N)C(=O)O L2808 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.23 CC(C)C[C@@H](O)C(=O)O H12699 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.23 CC(C)C[C@H](N)C(=O)O L0932 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.23 CC(C)C[C@H](N)C(=O)O L0932 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.23 NC(=O)C[C@H](N)C(=O)O A6288 [1,1,0,0,0,0|1,0,0]=3 43 B8R0.23 N[C@H](CC(=O)O)C(=O)O A6088 [1,1,0,0,0,0|1,0,0]=3 44 B8R0.23 O=C(O)C[C@@H](O)C(=O)O M11009 [1,1,0,0,0,0|1,0,0]=3 45 B8R0.23 O=C(O)C[C@H](Br)C(=O)O B8880 [1,1,0,0,0,0|1,0,0]=3 46 B8R0.23 O=C(O)C[C@H](Br)C(=O)O B8880 [1,1,0,0,0,0|1,0,0]=3 47 B8R0.2 COC(=O)[C@@H](N)C(C)C V7757 [0,1,0,0,1,0|1,0,1]=4 48 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O T7815 [0,1,0,0,1,0|0,0,2]=4 49 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O G6326 [0,1,0,0,0,1|1,0,0]=3 50 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O G8874 [0,1,0,0,0,1|1,0,0]=3 51 B10R0.57 COC(=O)[C@H](N)CCC(N)=O G8875 [0,1,0,0,0,1|1,0,0]=3 52 B10R0.59 COC(=O)CNCC(=O)OC D8917 [0,1,0,0,0,1|0,0,0]=2 53 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C L5533 [0,2,0,0,0,0|1,0,1]=4 54 B10R0.26 CCOC(=O)CC(N)C(C)C A14611 [0,2,0,0,0,0|1,0,1]=4 55 B8R1.3 CN1CCC(=O)CC1 M3185 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.5 CC1CNCCC1=O M11274 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.5 CC1CNCCC1=O M19160 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.38 COC(=O)C1CCN1 M19139 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.50 O=C1CCC(=O)N1Br B12482 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.50 O=C1CCC(=O)N1Cl C18802 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.50 O=C1CCC(=O)N1O H0382 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.7 O=C(O)C1CC=CC1 C3045 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.7 O=C(O)C1CCOC1 T15197 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.23 O=C1CC(C(=O)O)C1 O11072 [1,0,0,1,0,0|0,0,0]=2 65 B8R1.77 CC1(C)CC1C(=O)O D2248 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.77 CC1(C)C[C@@H]1C(=O)O T7829 [1,0,0,1,0,0|1,0,1]=4 67 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 P6314 [0,0,0,1,0,1|1,0,0]=3 68 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 P6314 [0,0,0,1,0,1|1,0,0]=3 69 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 H8259 [0,0,0,1,0,1|0,0,2]=4 70 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 P7358 [0,0,0,1,0,1|1,0,0]=3 71 B10R1.54 O=C(O)CN1CCC(=O)C1 O15897 [0,0,0,1,0,1|2,0,0]=4 72 B10R1.64 CC(=O)NC1CCSC1=O C5646 [0,1,0,1,0,0|1,1,0]=4 73 B6R0.2 C(C(=O)O)N(C)C D18801 [1,0,0,0,1,0|2,0,0]=4 74 B6R0.2 CC(C)=CC(=O)O D18784 [1,0,0,0,1,0|1,0,1]=4 75 B6R0.3 COC(=O)[C@H](C)Cl M7191 [0,0,0,0,2,0|1,0,1]=4