0 B8R0.9 NCC(=O)CCC(=O)O SC-52394 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C=CCOCC(=O)O SC-35140 [1,0,0,0,0,0|1,0,0]=2 2 B7R0.4 O=C(O)CCCCCl SC-57902 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.6 CN(C)CCC(=O)O SC-84792 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.7 CC(CCC(=O)O)C(=O)O SC-53293 [0,1,0,0,0,0|2,0,0]=3 5 B9R0.7 NC(=O)NC[C@H](N)C(=O)O SC-66318 [0,1,0,0,0,0|3,0,0]=4 6 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-49449 [0,1,0,0,0,0|1,0,0]=2 7 B9R0.43 COC(CCC(=O)O)OC SC-33144 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 SC-23776 [0,0,0,1,0,0|1,0,1]=3 9 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 SC-24076 [0,0,0,1,0,0|1,0,1]=3 10 B9R1.35 O=C(O)C1CC(O)CN1 SC-29014 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SC-52573 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CO1 SC-66730 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-52422 [0,0,0,1,0,0|2,0,1]=4 14 B6R0.4 C=CCNC(C)=O SC-48071 [2,0,0,0,0,0|2,0,0]=4 15 B6R0.4 C=CNCC(=O)O SC-21370 [2,0,0,0,0,0|1,0,0]=3 16 B6R0.4 N#CCCC(=O)O SC-49854 [2,0,0,0,0,0|0,0,2]=4 17 B6R0.4 NC(=O)CCCO SC-12258 [2,0,0,0,0,0|2,0,0]=4 18 B6R0.4 O=C(O)CCCBr SC-02994 [2,0,0,0,0,0|1,0,0]=3 19 B6R0.6 C=CCCCC=O SC-34117 [2,0,0,0,0,0|0,0,0]=2 20 B6R0.6 C=CCCCCN SC-34878 [2,0,0,0,0,0|1,0,1]=4 21 B6R0.6 C=CCCCCO SC-44461 [2,0,0,0,0,0|0,0,1]=3 22 B6R0.6 C=CCCCC[Zn+] SC-89392 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.6 C=CCOCCO SC-25613 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.6 COCCCC=O SC-88270 [2,0,0,0,0,0|1,0,1]=4 25 B8R0.7 C=CCCOCC(=O)O SC-35006 [1,1,0,0,0,0|0,0,0]=2 26 B8R0.7 COCOCCC(=O)O SC-50551 [1,1,0,0,0,0|1,0,1]=4 27 B8R0.28 C=C(C)CCCC(=O)O SC-31519 [1,1,0,0,0,0|0,0,0]=2 28 B8R0.28 N=C(N)NCCC(=O)O SC-46005 [1,1,0,0,0,0|2,0,0]=4 29 B8R0.28 NC(=O)CCCC(N)=O SC-87623 [1,1,0,0,0,0|2,0,0]=4 30 B8R0.28 O=C(O)CCCC(=O)O SC-16305 [1,1,0,0,0,0|1,0,0]=3 31 B8R0.28 O=C(O)CSCC(=O)O SC-19008 [1,1,0,0,0,0|2,0,0]=4 32 B8R0.23 CC(C)CC(O)C(=O)O SC-25183 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.23 CC(C)C[C@H](Cl)C(=O)O SC-08865 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-05405 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.23 NC(CC(F)F)C(=O)O SC-48857 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.29 CC(F)(F)CCC(=O)O SC-34612 [1,1,0,0,0,0|1,0,1]=4 37 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O SC-19827 [0,1,0,0,0,1|1,0,0]=3 38 B10R0.26 [C@H](N)(CS(=O)CC=C)C(=O)O SC-20518 [0,2,0,0,0,0|2,0,0]=4 39 B10R0.96 CC(CCC(=O)O)CC(=O)O SC-91518 [0,2,0,0,0,0|1,0,1]=4 40 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 SC-86770 [1,0,0,1,0,0|0,0,1]=3 41 B8R1.7 O=C(O)C1C=CCN1 SC-50874 [1,0,0,1,0,0|1,0,0]=3 42 B8R1.7 O=C(O)[C@@H]1C=CCN1 SC-21522 [1,0,0,1,0,0|1,0,0]=3 43 B8R1.7 O=C(O)[C@H]1C=CCN1 SC-52280 [1,0,0,1,0,0|1,0,0]=3 44 B8R1.7 O=C(O)[C@H]1CCOC1 SC-25181 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SC-70419 [1,0,0,1,0,0|0,0,1]=3 46 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SC-96294 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.23 O=C1CC(C(=O)O)N1 SC-51258 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.23 [C@@H]1(C(=O)O)CC(=O)N1 SC-15020 [1,0,0,1,0,0|1,0,1]=4 49 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 SC-49020 [0,0,0,1,0,1|2,0,0]=4 50 B10R1.66 O=C(O)CCC1=CC=CN1 SC-21976 [0,1,0,1,0,0|0,0,1]=3 51 B10R1.66 O=C(O)CCC1=NC=CS1 SC-43633 [0,1,0,1,0,0|0,0,2]=4 52 B6R0.2 C=C(C)CC(=O)O SC-31698 [1,0,0,0,1,0|1,0,1]=4 53 B6R0.2 [C@@H](C)(N)CC(=O)O SC-26546 [1,0,0,0,1,0|0,0,1]=3 54 B6R0.3 C=CC(N)C(=O)O SC-83691 [0,0,0,0,2,0|0,0,0]=2 55 B6R0.3 NC[C@H](N)C(=O)O SC-10204 [0,0,0,0,2,0|1,0,1]=4 56 B6R0.3 N[C@@H](CCl)C(=O)O SC-21241 [0,0,0,0,2,0|1,0,1]=4 57 B6R0.3 N[C@@H](CS)C(=O)O SC-09429 [0,0,0,0,2,0|1,0,1]=4