0 B8R0.23 C=C(NC(C)=O)C(=O)O BB01-7568 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.23 CC(C)CC(N)C(N)=O BB57-6612 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.23 CC(CN(C)C)C(=O)O BB12-1434 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.2 C\C(C=O)=C\N(C)C BB12-3546 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.5 CCSC(C)C(=O)O BB12-3261 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.5 CNCC(C)C(=O)O BB12-1637 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.6 CC(C)CNC(N)=O BB01-7595 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.6 CC(C)SCC(=O)O BB12-3365 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.6 CN(C)CCC(=O)O BB55-3488 [1,0,0,0,0,0|1,0,2]=4 10 B9R0.23 COC(=O)C(C)CN(C)C BB12-3648 [0,1,0,0,0,0|1,0,2]=4 11 B9R0.39 CN(C)\C=C(/C#N)C(N)=O BB20-0545 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.39 CN[C@H](CC(C)C)C(=O)O BB31-2327 [0,1,0,0,0,0|0,0,2]=3 13 B9R0.42 CCN(C)CC(C)C(=O)O BB12-1433 [0,1,0,0,0,0|1,0,2]=4 14 B9R0.57 CC(C)(C)NC(=O)C(=O)O BB55-4693 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.35 CC1=CC(C(=O)O)=CS1 BB55-0634 [0,0,0,1,0,0|1,0,2]=4 16 B9R1.35 CC1=NC(C(=O)O)CC1 BB58-2824 [0,0,0,1,0,0|1,0,2]=4 17 B9R1.35 CC1=NOC(C(=O)O)=C1 BB05-2690 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.35 CC1=NOC(C(=O)O)=C1 BB54-1988 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.35 CN1C=C(C(=O)O)C=N1 BB54-3240 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.35 CN1C=C(C(=O)O)N=N1 BB54-4859 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.35 CN1C=NC(C(=O)O)=C1 BB54-2031 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.35 CN1CCC(C(=O)O)C1 BB55-3489 [0,0,0,1,0,0|1,0,2]=4 23 B9R1.36 CC1CC(C)(C)NC1=O BB58-3413 [0,0,0,1,0,0|1,0,2]=4 24 B7R0.16 CC(=O)C(=O)N(C)C BB58-1081 [0,0,0,0,1,0|3,0,0]=4 25 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [0,0,0,0,1,0|1,0,1]=3 26 B9R0.7 CC(C)=CC[C@H](N)C(=O)O BB32-0842 [0,0,0,0,0,1|1,0,2]=4 27 B9R0.53 CC(C)NC(=O)CC(=O)O BB57-3775 [0,0,0,0,0,1|2,0,0]=3 28 B6R0.2 CC(C)=CC(=O)O BB01-7468 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.2 CC(C)NC(N)=O BB01-7616 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 CCSCC(=O)O BB12-3264 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.3 CNC(C)C(=O)O BB57-2982 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.3 COC(C)C(=O)O BB57-2927 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.3 CSC(C)C(=O)O BB12-2671 [2,0,0,0,0,0|1,0,1]=4 34 B8R0.8 CCCOC(C)C(=O)O BB55-7871 [1,1,0,0,0,0|0,0,2]=4 35 B8R0.12 CCOC(C)(C)C(=O)O BB57-2291 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.15 CCCC(NC)C(=O)O BB57-2495 [1,1,0,0,0,0|0,0,2]=4 37 B8R0.29 CC(C)(C)CCC(=O)O BB57-2925 [1,1,0,0,0,0|0,0,2]=4 38 B8R0.29 CC(C)(N)CCC(=O)O BB12-1634 [1,1,0,0,0,0|0,0,2]=4 39 B8R0.18 CCC(C(=O)O)N(C)C BB12-3549 [0,1,0,0,1,0|1,0,1]=4 40 B8R0.18 CNC(C(=O)O)C(C)C BB57-2975 [0,1,0,0,1,0|0,0,1]=3 41 B8R0.37 CN(C)C(C)(C)C(=O)O BB12-3603 [0,1,0,0,1,0|1,0,1]=4 42 B10R0.56 C=C(C(=O)OC)C(O)C(C)C BB17-2996 [0,2,0,0,0,0|0,0,2]=4 43 B10R0.162 CC(C)C[C@@H](C(=O)O)N(C)C BB31-8105 [0,2,0,0,0,0|0,0,2]=4 44 B8R1.35 O=C(O)C#CC1CC1 BB58-3544 [1,0,0,1,0,0|0,0,2]=4 45 B10R1.58 CC1=CN(C(C)C)N=C1N BB05-4507 [0,0,0,1,0,1|2,0,0]=4 46 B10R1.359 CC1(C)CC(C(=O)O)CO1 BB58-3828 [0,0,0,1,0,1|0,0,2]=4 47 B10R1.329 CC1(C)OC(=O)CC(=O)O1 BB12-2778 [0,0,0,1,0,1|2,0,0]=4 48 B10R1.329 CC1=CC(C)(C)N=C(N)N1 BB12-4087 [0,0,0,1,0,1|2,0,0]=4 49 B10R1.64 CN(C)\C=C1/CCCC1=O BB57-3341 [0,1,0,1,0,0|2,0,0]=4 50 B10R1.113 CC1CCCC(C(=O)O)N1 BB57-2043 [0,1,0,1,0,0|1,0,1]=4 51 B8R0.28 CC(C)CNCC(=O)O BB20-0181 [1,0,0,0,0,1|0,0,2]=4