0 B8R1.7 O=C(O)C1=NC=NN1 T1371 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.7 O=C(O)C1CSCN1 T0221 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.7 O=C(O)C1CSSC1 T10388 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [0,0,0,0,0,0|0,0,0]=0 4 B8R1.7 O=C(O)[C@@H]1CCCN1 TN1593 [0,0,0,0,0,0|0,0,0]=0 5 B8R1.7 O=C(O)[C@@H]1CSCN1 T4292 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.7 O=C(O)[C@H]1CCCN1 T5302 [0,0,0,0,0,0|0,0,0]=0 7 B8R1.7 S=C([S-])N1CCCC1 T3147 [0,0,0,0,0,0|2,2,0]=4 8 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 T2A2476 [0,1,0,0,0,0|0,0,0]=1 9 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 T4712 [0,1,0,0,0,0|0,0,0]=1 10 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 T0507 [0,1,0,0,0,0|0,0,1]=2 11 B9R1.35 O=C1CC[C@H](C(=O)O)N1 T4814 [0,1,0,0,0,0|0,0,1]=2 12 B9R1.35 O=C1N[C@H](C(=O)O)CS1 T5365 [0,1,0,0,0,0|1,0,1]=3 13 B7R0.4 NCCCCC(=O)O T5089 [0,0,1,0,0,0|0,0,0]=1 14 B7R0.5 CCCC(=O)C(=O)O T13484 [0,0,1,0,0,0|1,0,1]=3 15 B7R0.5 CCCC(C)C(=O)O T5685 [0,0,1,0,0,0|1,0,0]=2 16 B7R0.5 CCCC(N)C(=O)O T11054 [0,0,1,0,0,0|0,0,0]=1 17 B7R0.5 CCC[C@H](N)C(=O)O T4788 [0,0,1,0,0,0|0,0,0]=1 18 B7R0.5 CNC[C@H](N)C(=O)O T22911 [0,0,1,0,0,0|1,0,0]=2 19 B7R0.5 CSC[C@H](N)C(=O)O T8072 [0,0,1,0,0,0|1,0,0]=2 20 B7R0.5 NC(CCS)C(=O)O T4863 [0,0,1,0,0,0|1,0,0]=2 21 B7R0.5 NCC[C@H](N)C(=O)O T7595 [0,0,1,0,0,0|1,0,0]=2 22 B7R0.5 N[C@@H](CCO)C(=O)O T4757 [0,0,1,0,0,0|1,0,0]=2 23 B7R1.18 O=C(O)C1CCN1 T8100 [0,0,0,0,1,0|0,0,0]=1 24 B9R1.6 O=C(O)C1=CCCNC1 T7557 [0,0,0,0,0,1|0,0,2]=3 25 B9R1.6 O=C(O)C1=CCCNC1 TN1717 [0,0,0,0,0,1|0,0,2]=3 26 B9R1.6 O=C(O)C1=CCNCC1 T11684 [0,0,0,0,0,1|1,0,1]=3 27 B9R1.6 O=C(O)C1CCCCC1 T5563 [0,0,0,0,0,1|1,0,0]=2 28 B9R1.6 O=C(O)C1CCCCN1 T4819 [0,0,0,0,0,1|0,0,0]=1 29 B9R1.6 O=C(O)C1CCNCC1 T22348 [0,0,0,0,0,1|1,0,0]=2 30 B9R1.6 O=C(O)[C@@H]1CCCCN1 T4762 [0,0,0,0,0,1|0,0,0]=1 31 B9R1.6 O=C(O)[C@@H]1CCCNC1 T22482 [0,0,0,0,0,1|0,0,0]=1 32 B9R1.6 O=C(O)[C@H]1CCCCN1 T13634 [0,0,0,0,0,1|0,0,0]=1 33 B6R0.4 C#CCCC(=O)O T0580 [1,0,1,0,0,0|0,0,2]=4 34 B6R0.4 CSCCC(=O)O T5285 [1,0,1,0,0,0|1,0,0]=3 35 B6R0.4 NCCCC(=O)O T0508 [1,0,1,0,0,0|0,0,0]=2 36 B6R0.4 NC\C=C\C(=O)O T23414 [1,0,1,0,0,0|0,0,2]=4 37 B6R0.4 O=CNCC(=O)O T4741 [1,0,1,0,0,0|1,0,1]=4 38 B6R0.6 NCCCCCN T4895 [1,0,1,0,0,0|1,0,1]=4 39 B6R0.3 CC(CN)C(=O)O T4887 [1,0,1,0,0,0|1,0,0]=3 40 B6R0.3 CC(CO)C(=O)O T19619 [1,0,1,0,0,0|1,0,0]=3 41 B6R0.3 CCC(=O)C(=O)O T5060 [1,0,1,0,0,0|1,0,1]=4 42 B6R0.3 CCC(O)C(=O)[O-] T4738 [1,0,1,0,0,0|1,0,1]=4 43 B6R0.3 CC[C@@H](N)C(=O)O T19302 [1,0,1,0,0,0|0,0,0]=2 44 B6R0.3 CC[C@H](N)C(=O)O T5306 [1,0,1,0,0,0|0,0,0]=2 45 B6R0.3 C[C@@H](CN)C(=O)O T7357 [1,0,1,0,0,0|1,0,0]=3 46 B6R0.3 C\C=C(/C)C(=O)O T5542 [1,0,1,0,0,0|0,0,2]=4 47 B6R0.3 C\C=C(\C)C(=O)O T3328 [1,0,1,0,0,0|0,0,2]=4 48 B6R0.3 NC(CO)C(=O)O T8363 [1,0,1,0,0,0|1,0,0]=3 49 B6R0.3 NC(CS)C(=O)O T8141 [1,0,1,0,0,0|1,0,0]=3 50 B6R0.3 NCC(N)C(=O)O T4755 [1,0,1,0,0,0|1,0,0]=3 51 B6R0.3 NC[C@H](N)C(=O)O T5978 [1,0,1,0,0,0|1,0,0]=3 52 B6R0.3 NC[C@H](N)C(=O)O T7335 [1,0,1,0,0,0|1,0,0]=3 53 B6R0.3 N[C@@H](CCl)C(=O)O T6987 [1,0,1,0,0,0|1,0,0]=3 54 B6R0.3 N[C@@H](CO)C(=O)O T2O2730 [1,0,1,0,0,0|1,0,0]=3 55 B6R0.3 N[C@@H](CS)C(=O)O T2O2721 [1,0,1,0,0,0|1,0,0]=3 56 B6R0.3 N[C@H](CO)C(=O)O T8394 [1,0,1,0,0,0|1,0,0]=3 57 B6R1.2 O=C1NCCN1 T0630 [2,0,0,0,0,0|1,0,1]=4 58 B8R0.5 CCOC(=O)CC(=O)O T4773 [0,1,1,0,0,0|2,0,0]=4 59 B8R0.7 CC(=O)NCCCCN T7508 [0,1,1,0,0,0|1,0,0]=3 60 B8R0.7 N=C(N)NCCCCN T4808 [0,1,1,0,0,0|2,0,0]=4 61 B8R0.7 NCCCCCC(=O)O T0881 [0,1,1,0,0,0|0,0,0]=2 62 B8R0.8 CCCCC(O)C(=O)O T5224 [0,1,1,0,0,0|1,0,0]=3 63 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [0,1,1,0,0,0|1,0,0]=3 64 B8R0.8 CSCCC(N)C(=O)O TJO2742 [0,1,1,0,0,0|2,0,0]=4 65 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [0,1,1,0,0,0|2,0,0]=4 66 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [0,1,1,0,0,0|2,0,0]=4 67 B8R0.8 C[Se]CC[C@H](N)C(=O)O T5372 [0,1,1,0,0,0|2,0,0]=4 68 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [0,1,1,0,0,0|0,0,0]=2 69 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [0,1,1,0,0,0|0,0,0]=2 70 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [0,1,1,0,0,0|0,0,0]=2 71 B8R0.9 C=CC(N)CCC(=O)O T0128 [0,1,1,0,0,0|1,0,1]=4 72 B8R0.9 NCC(=O)CCC(=O)O T1662 [0,1,1,0,0,0|0,0,1]=3 73 B8R0.9 NCC(=O)NCC(=O)O T5286 [0,1,1,0,0,0|1,0,1]=4 74 B8R0.28 N=C(N)NCCC(=O)O T7535 [0,1,1,0,0,0|1,0,1]=4 75 B8R0.28 NC(=O)NCCC(=O)O T4919 [0,1,1,0,0,0|1,0,1]=4 76 B8R0.28 O=C(O)CCCC(=O)O T4794 [0,1,1,0,0,0|1,0,1]=4 77 B8R0.2 CCC(C)C(=O)C(=O)O T8264 [0,1,1,0,0,0|1,0,1]=4 78 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O T5219 [0,1,1,0,0,0|0,0,0]=2 79 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O T0063 [0,1,1,0,0,0|0,0,0]=2 80 B8R0.23 CC(=O)N[C@@H](C)C(=O)O T4839 [0,1,1,0,0,0|0,0,1]=3 81 B8R0.23 CC(C)CC(=O)C(=O)O T5071 [0,1,1,0,0,0|1,0,1]=4 82 B8R0.23 CC(C)CC(N)C(=O)O T4772 [0,1,1,0,0,0|0,0,0]=2 83 B8R0.23 CC(C)C[C@H](N)C(=O)O T3O2749 [0,1,1,0,0,0|0,0,0]=2 84 B8R0.23 CC(C)C[C@H](O)C(=O)O T5294 [0,1,1,0,0,0|1,0,0]=3 85 B8R0.23 NC(=O)C[C@H](N)C(=O)O T2O2774 [0,1,1,0,0,0|1,0,1]=4 86 B8R0.23 NC(=O)C[C@H](N)C(=O)O T8392 [0,1,1,0,0,0|1,0,1]=4 87 B8R0.23 N[C@@H](CC(=O)O)C(=O)O T2O2731 [0,1,1,0,0,0|1,0,1]=4 88 B8R0.23 N[C@H](CC(=O)O)C(=O)O T4885 [0,1,1,0,0,0|1,0,1]=4 89 B8R0.18 CCC(C(=O)O)C(=O)O T5279 [0,1,1,0,0,0|2,0,0]=4 90 B8R1.78 NC1(C(=O)O)CCC1 T22542 [0,1,0,0,1,0|0,0,0]=2 91 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 T8091 [0,1,0,0,0,1|1,0,0]=3 92 B10R1.15 COC(=O)C1=CCCNC1 T5805 [0,1,0,0,0,1|0,0,2]=4 93 B10R1.15 COC(=O)C1CCCCC1 T22366 [0,1,0,0,0,1|1,0,0]=3 94 B10R1.61 O=C(O)C1CCCCN1O T19458 [0,1,0,0,0,1|0,0,0]=2 95 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 T4038 [0,1,0,0,0,1|0,0,2]=4 96 B10R1.113 CN1CCC=C(C(=O)O)C1 T5799 [0,1,0,0,0,1|0,0,2]=4 97 B10R1.113 CN1CCC=C(C(=O)O)C1 TN1398 [0,1,0,0,0,1|0,0,2]=4 98 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O T3251 [0,2,0,0,0,0|0,0,1]=3 99 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)[O-] T23398 [0,2,0,0,0,0|0,0,2]=4 100 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)[O-] T5769 [0,2,0,0,0,0|0,0,2]=4 101 B10R2.71 O=C1CC2CCC(C1)N2 T1702 [0,0,0,1,0,1|1,0,0]=3 102 B10R2.71 OC1C[C@@H]2CC[C@H](C1)N2 T1341 [0,0,0,1,0,1|1,0,1]=4