0 B8R0.8 C#CCC[C@@H](N)C(=O)O 0448AP [0,0,0,0,0,0|2,0,2]=4 1 B8R0.8 C=C(C)C(=O)OCCN 1927AC [0,0,0,0,0,0|3,0,0]=3 2 B8R0.8 NC(CCCO)C(=O)O 7586AB [0,0,0,0,0,0|2,0,1]=3 3 B8R0.8 NCCCC(N)C(=O)O 7335AF [0,0,0,0,0,0|1,0,1]=2 4 B8R0.8 NCCCC(N)C(=O)O U283 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.8 NCCC[C@@H](N)C(=O)O 7336AF [0,0,0,0,0,0|1,0,1]=2 6 B8R0.8 NCCC[C@H](N)C(=O)O O422 [0,0,0,0,0,0|1,0,1]=2 7 B8R0.8 NOCCC(N)C(=O)O 0044AC [0,0,0,0,0,0|2,0,1]=3 8 B8R0.8 O=C(O)C(Br)CCCBr 7168AA [0,0,0,0,0,0|2,0,1]=3 9 B7R0.3 COC(=O)CCCO 3568AL [1,0,0,0,0,0|3,0,0]=4 10 B7R0.3 C\C=C(/C)CCCC 6098AL [1,0,0,0,0,0|3,0,0]=4 11 B7R0.4 NOCCCC(=O)O V9806 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.5 C=C(Cl)C(=O)OCC 7371AF [1,0,0,0,0,0|3,0,0]=4 13 B7R0.5 CCCC(=O)C(=O)[O-] 7377AF [1,0,0,0,0,0|0,0,1]=2 14 B7R0.5 CCCC(O)C(C)=O X3438 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.5 CNC[C@H](N)C(=O)O Q369 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.5 C[Se]C[C@H](N)C(=O)O 2218AB [1,0,0,0,0,0|2,0,1]=4 17 B7R0.5 NC(CCBr)C(=O)O 0872AA [1,0,0,0,0,0|2,0,1]=4 18 B7R0.5 N[C@@H](CCO)C(=O)O 0148AB [1,0,0,0,0,0|2,0,1]=4 19 B9R0.6 CCC[C@@H](O)[C@@H](N)C(=O)O Z5927 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.6 CCC[C@H](O)[C@H](N)C(=O)O Z5577 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.7 O=C(O)CCC(=O)C(=O)O F772 [0,1,0,0,0,0|1,0,1]=3 22 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] V1642 [0,1,0,0,0,0|1,0,2]=4 23 B9R0.13 CNC(CCCN)C(=O)O 0555AP [0,1,0,0,0,0|1,0,1]=3 24 B9R0.13 CN[C@@H](CCCN)C(=O)O Z5680 [0,1,0,0,0,0|1,0,1]=3 25 B9R0.47 C=CCCCC(N)C(=O)O 0772AA [0,1,0,0,0,0|2,0,1]=4 26 B9R0.47 CCCCCC(=O)C(C)=O 7941AF [0,1,0,0,0,0|2,0,0]=3 27 B9R0.47 CCCCOC(=O)C(C)=O P531 [0,1,0,0,0,0|2,0,0]=3 28 B9R0.47 NC(CCCC=O)C(=O)O Y1617 [0,1,0,0,0,0|2,0,1]=4 29 B9R1.6 CC(=O)C1=NCCCC1 2565AB [0,0,0,1,0,0|3,0,0]=4 30 B9R1.6 O=C(O)C1CCCCN1 3297AL [0,0,0,1,0,0|2,0,1]=4 31 B9R1.6 O=C(O)C1CCCCN1 6644AH [0,0,0,1,0,0|2,0,1]=4 32 B9R1.6 O=C(O)C1CNCCN1 V5196 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.69 CN1CCC(N)CC1=O 2791AF [0,0,0,1,0,0|3,0,0]=4 34 B9R1.163 NC1(C(=O)O)CCCC1 Z5998 [0,0,0,1,0,0|2,0,1]=4 35 B9R0.4 CC(=O)CC(=O)OCCCl 7886AB [0,0,0,0,0,1|3,0,0]=4 36 B6R0.1 C=CC(=O)COC S897 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.1 COC(=O)CCN 5700AB [2,0,0,0,0,0|2,0,0]=4 38 B6R0.4 CC\C=C\C(C)=O Y8265 [2,0,0,0,0,0|1,0,1]=4 39 B6R0.3 CC[C@H](C)C(=O)O Z9667 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.3 COC(=O)C(N)=O L906 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.6 CCCCOC(=O)C=O 3194AL [1,1,0,0,0,0|1,0,0]=3 42 B8R0.7 NCCCCCC(=O)Cl Y1672 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.28 CC(C)C\C=C\C(=O)O 0195AP [1,1,0,0,0,0|1,0,1]=4 44 B8R0.2 CCC(C)[C@H](Cl)C(=O)O Z6070 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.12 NCCC(F)(F)C(=O)O 3596AD [1,1,0,0,0,0|1,0,1]=4 46 B8R0.15 CCCC(NC)C(=O)O 0624AP [1,1,0,0,0,0|1,0,1]=4 47 B8R0.23 CC(C)CC(=O)C(=O)[O-] 9511AJ [1,1,0,0,0,0|0,0,1]=3 48 B10R0.81 O=C(O)C(Cl)C(=O)CCCCl Y3193 [0,1,0,0,0,1|1,0,0]=3 49 B10R0.92 O=C(O)C(=O)CCC(F)(F)F 0056AD [0,2,0,0,0,0|1,0,0]=3 50 B8R1.3 NC1CCC(=O)CC1 X7969 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.50 CC1=C(O)C(=O)CC1 5650AL [1,0,0,1,0,0|1,0,1]=4 52 B8R1.4 NC1CCCC(=O)C1 7456AA [1,0,0,1,0,0|1,0,1]=4 53 B8R1.4 NC1CCCC(=O)C1 V9436 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.4 NC1CCNC(=O)C1 V1291 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.7 CC(=O)C1CCCN1 1442AJ [1,0,0,1,0,0|1,0,1]=4 56 B10R1.54 N[C@@H]1CCN(CC(=O)O)C1 8925AH [0,0,0,1,0,1|2,0,0]=4 57 B10R1.54 N[C@H]1CCN(CC(=O)O)C1 9076AH [0,0,0,1,0,1|2,0,0]=4 58 B10R1.61 O=C(O)C1CCCCC1=O 9763AA [0,0,0,1,0,1|1,0,0]=3 59 B10R1.23 NC(C(=O)O)C1CCNC1 3896AA [0,1,0,1,0,0|1,0,1]=4 60 B10R2.344 O=C(O)C12CC1CCN2 5311AA [0,0,0,2,0,0|1,0,1]=4 61 B10R2.348 C12CNC(C(=O)O)(C1)C2 1426AC [0,0,0,2,0,0|1,0,1]=4