0 B9R1.35 CN1CCC(C(=O)O)C1 W6581 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 4596AF [0,0,0,0,0,0|1,1,0]=2 2 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 4247AH [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 O=C1CN[C@H](C(=O)O)C1 6009AB [0,0,0,0,0,0|2,0,0]=2 4 B9R1.35 O=C1CN[C@H](C(=O)O)C1 8316AF [0,0,0,0,0,0|2,0,0]=2 5 B8R1.1 C=CC1COC(=O)C1 3286AH [1,0,0,0,0,0|3,0,0]=4 6 B8R1.7 CC(=O)C1CCCN1 1442AJ [1,0,0,0,0,0|1,0,1]=3 7 B8R1.7 OC(=S)[C@H]1CCCO1 X5836 [1,0,0,0,0,0|1,1,1]=4 8 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 8420AH [0,1,0,0,0,0|1,0,2]=4 9 B10R1.470 O=C1CC(O)(C(=O)O)CO1 0234AP [0,1,0,0,0,0|2,0,0]=3 10 B8R0.8 C#CCC[C@@H](N)C(=O)O 0448AP [0,0,1,0,0,0|1,0,1]=3 11 B8R0.8 NC(CCCO)C(=O)O 7586AB [0,0,1,0,0,0|0,0,2]=3 12 B8R0.8 NCCCC(N)C(=O)O 7335AF [0,0,1,0,0,0|1,0,1]=3 13 B8R0.8 NCCCC(N)C(=O)O U283 [0,0,1,0,0,0|1,0,1]=3 14 B8R0.8 NCCC[C@@H](N)C(=O)O 7336AF [0,0,1,0,0,0|1,0,1]=3 15 B8R0.8 NCCC[C@H](N)C(=O)O O422 [0,0,1,0,0,0|1,0,1]=3 16 B8R0.8 NOCCC(N)C(=O)O 0044AC [0,0,1,0,0,0|2,0,0]=3 17 B8R0.8 O=C(O)C(Br)CCCBr 7168AA [0,0,1,0,0,0|2,0,1]=4 18 B8R0.9 CCN(C)CCC(=O)O 8627AC [0,0,1,0,0,0|3,0,0]=4 19 B8R0.9 NCC(=O)CCC(=O)O 1451AA [0,0,1,0,0,0|2,0,0]=3 20 B8R0.9 NCC(=O)NCC(=O)O 7998AL [0,0,1,0,0,0|1,0,0]=2 21 B8R0.23 CC(CC(=O)Cl)C(=O)Cl E091 [0,0,1,0,0,0|3,0,0]=4 22 B8R0.28 CN(C)CCCC(=O)O Y1714 [0,0,1,0,0,0|3,0,0]=4 23 B8R0.28 N=C(N)SCCC(=O)O M147 [0,0,1,0,0,0|2,0,0]=3 24 B8R0.28 O=C([O-])CNCC(=O)[O-] 7178AF [0,0,1,0,0,0|2,0,1]=4 25 B8R0.28 O=C([O-])COCC(=O)O 7181AF [0,0,1,0,0,0|2,0,0]=3 26 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 Z3470 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.23 C=C1CC(C(=O)O)C1 Y3148 [0,0,0,0,1,0|2,0,0]=3 28 B10R1.13 O=C(O)C1CCC(F)CC1 5665AD [0,0,0,0,0,1|2,0,1]=4 29 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 8585AH [0,0,0,0,0,1|0,0,2]=3 30 B10R1.113 CC(C)C1COCC(=O)N1 5387AA [0,0,0,0,0,1|2,0,1]=4 31 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 9958AB [0,0,0,0,0,1|1,0,0]=2 32 B7R0.3 C=CCOC(=O)CC 7475AF [1,0,1,0,0,0|2,0,0]=4 33 B7R0.3 CCC(=O)\C=C\C=O Z6191 [1,0,1,0,0,0|1,0,1]=4 34 B7R0.4 CC(=O)OCCC=O 9702AA [1,0,1,0,0,0|2,0,0]=4 35 B7R0.4 NC(=O)COCCO 7275AF [1,0,1,0,0,0|1,0,1]=4 36 B7R0.4 NOCCCC(=O)O V9806 [1,0,1,0,0,0|1,0,0]=3 37 B7R0.5 CNC[C@H](N)C(=O)O Q369 [1,0,1,0,0,0|1,0,1]=4 38 B7R0.5 C[Se]C[C@H](N)C(=O)O 2218AB [1,0,1,0,0,0|1,0,1]=4 39 B7R0.5 NC(CCBr)C(=O)O 0872AA [1,0,1,0,0,0|1,0,0]=3 40 B7R0.5 N[C@@H](CCO)C(=O)O 0148AB [1,0,1,0,0,0|0,0,1]=3 41 B7R0.6 O=C(O)CCC(=O)O 9603AL [1,0,1,0,0,0|2,0,0]=4 42 B7R0.6 O=C([O-])CCC(=O)O 7180AF [1,0,1,0,0,0|2,0,0]=4 43 B7R0.6 O=C([O-])CCC(=O)O V1664 [1,0,1,0,0,0|2,0,0]=4 44 B7R0.15 CC[C@H](CO)C(=O)O 1257AC [1,0,1,0,0,0|0,0,2]=4 45 B7R1.2 CC1CCC(=O)C1 7470AF [2,0,0,0,0,0|1,0,1]=4 46 B9R0.6 CCC[C@@H](O)[C@@H](N)C(=O)O Z5927 [0,1,1,0,0,0|1,0,1]=4 47 B9R0.6 CCC[C@H](O)[C@H](N)C(=O)O Z5577 [0,1,1,0,0,0|1,0,1]=4 48 B9R0.7 CC(CCC(=O)O)C(=O)O 0280AP [0,1,1,0,0,0|1,0,0]=3 49 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O 1751AF [0,1,1,0,0,0|2,0,0]=4 50 B9R0.7 C[S+](C)CCC(N)C(=O)O 8997AD [0,1,1,0,0,0|2,0,0]=4 51 B9R0.7 NC(=O)C(N)CCC(=O)O Y1588 [0,1,1,0,0,0|1,0,0]=3 52 B9R0.7 O=C(O)CCC(=O)C(=O)O F772 [0,1,1,0,0,0|1,0,1]=4 53 B9R0.13 CNC(CCCN)C(=O)O 0555AP [0,1,1,0,0,0|1,0,1]=4 54 B9R0.13 CN[C@@H](CCCN)C(=O)O Z5680 [0,1,1,0,0,0|1,0,1]=4 55 B9R0.47 C#CCSC[C@@H](N)C(=O)O 5092AC [0,1,1,0,0,0|1,0,1]=4 56 B9R0.47 C=CCCCC(N)C(=O)O 0772AA [0,1,1,0,0,0|1,0,0]=3 57 B9R0.47 NC(CCCC=O)C(=O)O Y1617 [0,1,1,0,0,0|0,0,0]=2 58 B9R0.24 CNC(=O)CNC(=O)CN 4960AC [0,1,1,0,0,0|2,0,0]=4 59 B9R0.39 CC(=O)N[C@@H](CS)C(=O)[O-] 0074AP [0,1,1,0,0,0|1,0,1]=4 60 B9R0.39 CN[C@H](CC(=O)O)C(=O)O 2589AH [0,1,1,0,0,0|2,0,0]=4 61 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O 0587AP [0,1,1,0,0,0|2,0,0]=4 62 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O 0584AP [0,1,1,0,0,0|2,0,0]=4 63 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O 9397AB [0,1,1,0,0,0|2,0,0]=4 64 B9R0.79 CC(C(=O)O)[C@@H](N)C(=O)O 5973AB [0,1,1,0,0,0|2,0,0]=4 65 B9R0.1 C=CC(=O)OCCC(=O)O 7898AJ [0,1,1,0,0,0|2,0,0]=4 66 B9R1.11 COC(=O)C1CCNC1 W9847 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.11 COC(=O)C1CSC=N1 B236 [1,1,0,0,0,0|1,0,1]=4 68 B9R1.11 COC(=O)[C@H]1CCCN1 5950AB [1,1,0,0,0,0|0,0,1]=3 69 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O 7397AJ [1,1,0,0,0,0|0,0,1]=3 70 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4857AB [1,1,0,0,0,0|1,0,1]=4 71 B9R1.41 O=C(O)C1CCCC1=O 4522AE [1,1,0,0,0,0|1,0,1]=4 72 B9R1.163 NC1(C(=O)O)CCCC1 Z5998 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 3276AA [0,1,0,0,0,1|1,0,0]=3 74 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)O1 Y4141 [0,2,0,0,0,0|1,0,1]=4 75 B9R1.6 O=C(O)C1CCCCN1 3297AL [0,0,1,1,0,0|1,0,1]=4 76 B9R1.6 O=C(O)C1CCCCN1 6644AH [0,0,1,1,0,0|1,0,1]=4 77 B9R1.69 NC1CCC(=O)NC1=O 9455AJ [0,0,1,1,0,0|1,0,0]=3 78 B9R1.69 N[C@@H]1CCC(=O)NC1=O 8996AH [0,0,1,1,0,0|1,0,0]=3 79 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O 0769AC [0,0,1,1,0,0|2,0,0]=4 80 B7R0.16 O=C(O)C(Cl)C(=O)O 8949AB [0,0,1,0,1,0|2,0,0]=4 81 B7R1.18 O=C(O)[C@@H]1CCN1 5483AB [1,0,0,0,1,0|0,0,0]=2 82 B9R1.13 O=C(O)CC1CCNC1 2247AF [1,0,0,0,0,1|2,0,0]=4