0 B8R0.8 N[C](C(O)=O)CCCN BCP18679 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.8 N[C](CCCN)C(O)=O BCP13629 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.8 O=C([O-])C(O)CCSC BCP11942 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.4 O=C(O)CCCCO BCP10662 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.5 C#CC[C](N)C(O)=O BCP11742 [1,0,0,0,0,0|0,0,3]=4 5 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.5 COC[C](C(O)=O)N BCP11642 [1,0,0,0,0,0|0,1,1]=3 7 B7R0.5 NC(C(O)=O)CC=C BCP04800 [1,0,0,0,0,0|0,0,2]=3 8 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [1,0,0,0,0,0|0,1,0]=2 9 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.5 O=C(O)[C](CNC)N BCP09610 [1,0,0,0,0,0|1,0,1]=3 11 B9R0.7 N[C@@H](C(N)=O)CCC(O)=O BCP17216 [0,1,0,0,0,0|3,0,0]=4 12 B9R0.13 CCCCC(CC)C([O-])=O BCP13040 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.42 N[C@@H](CN(O)N=O)C(O)=O BCP23794 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.47 N[C](C(O)=O)CCCCN BCP13554 [0,1,0,0,0,0|1,0,1]=3 15 B9R1.5 N[C@H]1CCCCN=C1O BCP01251 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.5 O=C1NCCCC[C]1N BCP14675 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.6 O=C(C1CCNCC1)N BCP18799 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.6 OC(=O)C1CCCOC1 BCP07723 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.6 OC(=O)[C@@H]1COCCN1 BCP08155 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.35 O=C1CC[C@@H](N1)C(=O)O BCP09505 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.69 O=C1C(N)CCC(N1)=O BCP16250 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.69 O=C1CCC(C(N1)=O)N BCP05827 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.69 O=C1CCC(C(N1)=O)N BCP13299 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.112 O=C(O)C(N)CC1CC1 BCP15435 [0,0,0,1,0,0|1,0,0]=2 25 B9R1.112 O=C(O)[C@@H](N)CC1CC1 BCP07233 [0,0,0,1,0,0|1,0,0]=2 26 B9R1.112 O=C(O)[C](N)CC1CC1 BCP18435 [0,0,0,1,0,0|1,0,1]=3 27 B9R1.163 C[C@]1(CCCN1)C(O)=O BCP18010 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.163 O=C(O)[C@]1(C)NCCC1 BCP01614 [0,0,0,1,0,0|3,0,0]=4 29 B6R0.4 CCCCC(N)=N BCP11276 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 OC(CSCC)=O BCP05241 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.6 CCCCCCO BCP29486 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.6 O=CCCCCO BCP10790 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.6 OCCCCOC BCP22070 [2,0,0,0,0,0|0,1,1]=4 34 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [2,0,0,0,0,0|0,0,0]=2 35 B6R0.3 CC[C](N)C(O)=O BCP04716 [2,0,0,0,0,0|0,0,1]=3 36 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.3 NC(CC)C(N)=O BCP08675 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.3 N[C@H](C(O)=N)CO BCP06965 [2,0,0,0,0,0|1,1,0]=4 39 B6R0.3 N[C](CO)C(O)=O BCP06311 [2,0,0,0,0,0|0,1,1]=4 40 B8R0.23 N[C@@H](CC(O)=O)C(O)=O BCP13530 [1,1,0,0,0,0|0,1,1]=4 41 B10R0.43 CC(C(O)=O)(N)CCC(O)=O BCP19864 [0,2,0,0,0,0|2,0,0]=4 42 B10R0.92 O=C(O)[C@@H](N)CCS(=N)(C)=O BCP10104 [0,2,0,0,0,0|0,0,1]=3 43 B10R0.75 N[C](C(O)=O)CSCCCO BCP11478 [0,2,0,0,0,0|1,0,1]=4 44 B10R0.98 N[C@@H](CSCC(O)=O)C(O)=O BCP13359 [0,2,0,0,0,0|2,0,0]=4 45 B8R1.2 O=CC1CCOCC1 BCP12387 [1,0,0,1,0,0|1,1,0]=4 46 B8R1.7 O=C(O)C1CNCC1 BCP04865 [1,0,0,1,0,0|1,0,0]=3 47 B8R1.7 O=C([C]1NCSC1)O BCP13616 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.7 OC(=O)C1COCC1 BCP08172 [1,0,0,1,0,0|0,1,0]=3 49 B8R1.34 O=C(O)CC1CCC1 BCP15064 [1,0,0,1,0,0|1,0,0]=3 50 B8R1.23 CN1CC(C1)C(=O)O BCP08430 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.23 O=C(C1CC(N1)=O)O BCP06201 [1,0,0,1,0,0|0,1,1]=4 52 B8R1.23 O=C(O)[C@@H]1C[C@@H](N)C1 BCP04214 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.54 O=C(O)[C@@H](N)C1CC1 BCP11588 [1,0,0,1,0,0|0,0,0]=2 54 B10R1.113 CC1=NCCC(N1)C(=O)O BCP14520 [0,1,0,1,0,0|1,0,0]=3 55 B10R1.204 N[C@@H](CC1CCC1)C(O)=O BCP14793 [0,1,0,1,0,0|1,0,0]=3 56 B10R0.78 CC(CCCC)CCC(O)=O BCP19094 [0,0,0,0,0,2|2,0,0]=4