0 B8R0.9 C=CC(N)CCC(=O)O T0128 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.9 NCC(=O)CCC(=O)O T1662 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 NCCCCC(=O)O T5089 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.6 CC(=O)CCC(=O)O T5551 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.6 N=C(N)NCC(=O)O T4238 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.6 O=C(O)CCC(=O)O T2719 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.6 O=C(O)CC[N+](=O)[O-] T3009 [1,0,0,0,0,0|3,0,0]=4 7 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T4722 [0,1,0,0,0,0|3,0,0]=4 8 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T8095 [0,1,0,0,0,0|3,0,0]=4 9 B9R0.7 CC(CCC(=O)O)C(=O)O T5063 [0,1,0,0,0,0|2,0,0]=3 10 B9R0.7 CC(CCC(=O)O)C(=O)O T5260 [0,1,0,0,0,0|2,0,0]=3 11 B9R0.7 CS(=O)CCC(N)C(=O)O T19418 [0,1,0,0,0,0|3,0,0]=4 12 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O T19264 [0,1,0,0,0,0|3,0,0]=4 13 B9R0.7 CS(=O)CC[C@H](N)C(=O)O T19397 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.7 NC(=O)CCC(N)C(=O)O T0326 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O T6468 [0,1,0,0,0,0|2,0,0]=3 16 B9R0.7 NC(=O)CC[C@H](N)C(=O)O T0326L [0,1,0,0,0,0|2,0,0]=3 17 B9R0.7 NC(=O)NC[C@H](N)C(=O)O T20121 [0,1,0,0,0,0|3,0,0]=4 18 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O T2A2497 [0,1,0,0,0,0|1,0,0]=2 19 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] T6871 [0,1,0,0,0,0|1,0,0]=2 20 B9R0.7 N[C@H](CCC(=O)O)C(=O)O T10935 [0,1,0,0,0,0|1,0,0]=2 21 B9R0.7 O=C(O)CCC(=O)C(=O)O T5980 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] T4920 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] T6820 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] T13748 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 T2A2476 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 T4712 [0,0,0,1,0,0|2,0,1]=4 27 B7R0.2 NCC(O)CC(=O)O T0028 [0,0,0,0,1,0|2,0,1]=4 28 B7R0.2 NC[C@@H](O)CC(=O)O T21409 [0,0,0,0,1,0|2,0,1]=4 29 B6R0.4 C#CCCC(=O)O T0580 [2,0,0,0,0,0|0,0,2]=4 30 B6R0.4 CSCCC(=O)O T5285 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.4 NCCCC(=O)O T0508 [2,0,0,0,0,0|0,0,0]=2 32 B6R0.4 NC\C=C\C(=O)O T23414 [2,0,0,0,0,0|0,0,2]=4 33 B6R0.4 O=CNCC(=O)O T4741 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.7 NCCCCCC(=O)O T0881 [1,1,0,0,0,0|0,0,2]=4 35 B8R0.28 CC(=O)NCCC(=O)O T1373 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.28 N=C(N)NCCC(=O)O T7535 [1,1,0,0,0,0|2,0,0]=4 37 B8R0.28 NC(=O)NCCC(=O)O T4919 [1,1,0,0,0,0|2,0,0]=4 38 B8R0.28 O=C(O)CCCC(=O)O T4794 [1,1,0,0,0,0|1,0,0]=3 39 B8R0.23 CC(C)C(N)CC(=O)O T5569 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.23 CC(C)CC(N)C(=O)O T4772 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.23 CC(C)C[C@H](N)C(=O)O T3O2749 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.23 CC(C)C[C@H](O)C(=O)O T5294 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.23 NC(=O)C[C@H](N)C(=O)O T2O2774 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.23 NC(=O)C[C@H](N)C(=O)O T8392 [1,1,0,0,0,0|1,0,1]=4 45 B10R0.98 NC(CCCC(=O)O)C(=O)O T4705 [0,1,0,0,0,1|1,0,0]=3 46 B10R0.98 NC(CSCC(=O)O)C(=O)O T13440 [0,1,0,0,0,1|1,0,0]=3 47 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O T3612 [0,1,0,0,0,1|1,0,0]=3 48 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O T22485 [0,2,0,0,0,0|1,0,0]=3 49 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O T15692 [0,2,0,0,0,0|2,0,0]=4 50 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O T22704 [0,2,0,0,0,0|2,0,0]=4 51 B10R0.92 N[C@H](CC[P@](=O)([O-])O)C(=O)O T22731 [0,2,0,0,0,0|2,0,0]=4 52 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O T16963 [0,2,0,0,0,0|1,0,0]=3 53 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O T5764 [0,2,0,0,0,0|2,0,0]=4 54 B10R0.96 CC(CCC(=O)O)CC(=O)O T5253 [0,2,0,0,0,0|1,0,1]=4 55 B8R1.50 N[C@H]1CCN(O)C1=O T23298 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.7 O=C(O)[C@@H]1CCCN1 TN1593 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.7 O=C(O)[C@H]1CCCN1 T5302 [1,0,0,1,0,0|1,0,1]=4 59 B6R0.2 CC(C)CC(=O)O T5609 [1,0,0,0,1,0|1,0,1]=4 60 B6R0.2 CC(O)CC(=O)O T4947 [1,0,0,0,1,0|1,0,1]=4 61 B6R0.2 C[C@@H](O)CC(=O)O T5248 [1,0,0,0,1,0|1,0,1]=4 62 B6R0.2 C[C@H](O)CC(=O)O T13979 [1,0,0,0,1,0|1,0,1]=4 63 B6R0.3 CC[C@@H](N)C(=O)O T19302 [0,0,0,0,2,0|0,0,2]=4 64 B6R0.3 CC[C@H](N)C(=O)O T5306 [0,0,0,0,2,0|0,0,2]=4 65 B6R0.3 NC(CO)C(=O)O T8363 [0,0,0,0,2,0|1,0,1]=4 66 B6R0.3 NC(CS)C(=O)O T8141 [0,0,0,0,2,0|1,0,1]=4 67 B6R0.3 NCC(N)C(=O)O T4755 [0,0,0,0,2,0|1,0,1]=4 68 B6R0.3 NC[C@H](N)C(=O)O T5978 [0,0,0,0,2,0|1,0,1]=4 69 B6R0.3 NC[C@H](N)C(=O)O T7335 [0,0,0,0,2,0|1,0,1]=4 70 B6R0.3 N[C@@H](CCl)C(=O)O T6987 [0,0,0,0,2,0|1,0,1]=4 71 B6R0.3 N[C@@H](CO)C(=O)O T2O2730 [0,0,0,0,2,0|1,0,1]=4 72 B6R0.3 N[C@@H](CS)C(=O)O T2O2721 [0,0,0,0,2,0|1,0,1]=4 73 B6R0.3 N[C@H](CO)C(=O)O T8394 [0,0,0,0,2,0|1,0,1]=4