0 B7R0.16 CC(C)[C@@H](N)C(O)=O BCP10545 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.16 C[C]([C](C(=O)O)N)O BCP16820 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O BCP08009 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.16 O=C(C([O-])=O)C(C)C BCP18017 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.2 CC(C)CC(N)=O BCP05941 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.2 CC(C)NC(C)=O BCP19527 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.2 CC(CC(N)=O)=O BCP19964 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.2 OB(CC(C)C)O BCP12813 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.2 OC(CC(O)=O)=O BCP05571 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [1,0,0,0,0,0|0,0,0]=1 12 B6R0.3 CC[C](N)C(O)=O BCP04716 [1,0,0,0,0,0|0,0,1]=2 13 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.3 C\C=C(C)\C(O)=O BCP18945 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.3 NC(CC)C(N)=O BCP08675 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.3 N[C@H](C(O)=N)CO BCP06965 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.3 N[C](CO)C(O)=O BCP06311 [1,0,0,0,0,0|0,0,1]=2 18 B8R0.2 CC([C@H](N)C(OC)=O)C BCP11286 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.2 O=C([O-])[C](O)[C@@H](O)CO BCP17090 [0,1,0,0,0,0|1,0,2]=4 20 B8R0.27 CC(C)(C)C(C(O)=O)=O BCP18772 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.27 NC(C(C)(C)C)C(=O)O BCP15485 [0,1,0,0,0,0|1,0,0]=2 22 B8R0.27 N[C@@H](C(O)=O)C(C)(S)C BCP17247 [0,1,0,0,0,0|0,1,0]=2 23 B8R0.27 N[C](C(O)=O)C(C)(C)C BCP04717 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.37 NC(C(C)C)(C)C(N)=O BCP14288 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.54 O=C(O)[C@@H](N)C1CC1 BCP11588 [0,0,0,1,0,0|1,0,0]=2 26 B8R1.77 O=C(C1C(F)(F)C1)O BCP19593 [0,0,0,1,0,0|3,0,0]=4 27 B8R0.23 CC(C)[C@@H](CC(=O)O)N BCP11719 [0,0,0,0,0,1|1,0,0]=2 28 B8R0.23 C[C@@H](CC(=O)O)C(=O)O BCP23566 [0,0,0,0,0,1|2,0,1]=4 29 B8R0.23 N[C@@H](CC(O)=O)C(O)=O BCP13530 [0,0,0,0,0,1|1,0,1]=3 30 B5R0.1 C[C@@H](N)CCO BCP01279 [2,0,0,0,0,0|1,0,1]=4 31 B5R0.1 O=C(Cl)CCBr BCP20557 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.1 O=C(Cl)CCCl BCP09962 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.1 OC(CCO)=O BCP05902 [2,0,0,0,0,0|0,0,0]=2 34 B5R0.1 OC(CCS)=O BCP16636 [2,0,0,0,0,0|0,1,0]=3 35 B5R0.3 C(C(CO)N)O BCP04588 [2,0,0,0,0,0|0,0,1]=3 36 B5R0.3 CC[C](N)CO BCP16938 [2,0,0,0,0,0|0,0,2]=4 37 B5R0.5 CC(C)C(C)O BCP29487 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.5 C[C@@H](Cl)C(O)=O BCP14313 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.5 C[C@@H](N)C(C)C BCP06945 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.5 C[C](Cl)C(O)=O BCP11281 [2,0,0,0,0,0|1,0,1]=4 41 B7R0.2 C[C@@H](O)CC(OC)=O BCP15245 [1,1,0,0,0,0|0,0,0]=2 42 B7R0.2 C[C](O)CC(OC)=O BCP12973 [1,1,0,0,0,0|0,0,1]=3 43 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [1,1,0,0,0,0|1,0,0]=3 44 B7R0.5 C#CC[C](N)C(O)=O BCP11742 [1,1,0,0,0,0|0,0,2]=4 45 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [1,1,0,0,0,0|0,0,0]=2 46 B7R0.5 COC[C](C(O)=O)N BCP11642 [1,1,0,0,0,0|0,0,1]=3 47 B7R0.5 NC(C(O)=O)CC=C BCP04800 [1,1,0,0,0,0|0,0,1]=3 48 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [1,1,0,0,0,0|0,0,0]=2 49 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [1,1,0,0,0,0|0,0,0]=2 50 B7R0.5 O=C(O)[C](CNC)N BCP09610 [1,1,0,0,0,0|0,0,1]=3 51 B7R0.10 COC([C@H](N)CCl)=O BCP04711 [1,1,0,0,0,0|1,0,0]=3 52 B7R0.10 COC([C](C)CO)=O BCP16617 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.10 NCC(C)[C@@H](CO)N BCP14692 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.10 O=C(OC)[C@@H](C)CO BCP07508 [1,1,0,0,0,0|1,0,0]=3 55 B7R0.10 O=C(OC)[C](CO)N BCP15170 [1,1,0,0,0,0|0,0,1]=3 56 B7R0.10 O[C@@H](CO)C(CO)=O BCP10464 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.13 C[C@](CO)(N)C(O)=O BCP10469 [1,1,0,0,0,0|0,0,0]=2 58 B7R0.13 N[C@](C(O)=O)(CC)C BCP11781 [1,1,0,0,0,0|0,0,0]=2 59 B9R0.42 N[C@@H](CN(O)N=O)C(O)=O BCP23794 [0,1,0,0,0,1|2,0,0]=4 60 B9R0.79 CC(C)[C@@H](O)[C](N)C(O)=O BCP09537 [0,1,0,0,0,1|1,0,1]=4 61 B9R0.79 N[C@@H](C(O)=O)[C@@H](O)C(C)C BCP09538 [0,1,0,0,0,1|1,0,0]=3 62 B9R0.25 N[C@@H](C(C)(C)C)C(OC)=O BCP20355 [0,2,0,0,0,0|1,0,0]=3 63 B9R0.27 O=C[C@@H]([C@@H]([C@@H](CO)O)O)O BCP04566 [0,2,0,0,0,0|1,0,1]=4 64 B7R1.2 O=C1NCC(O)C1 BCP07569 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.20 O=C(O)CC1CC1 BCP05386 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.4 C=C1CCOC1=O BCP18620 [1,0,0,1,0,0|1,0,1]=4 69 B7R1.4 N[C@@H]1CCC[C@H]1O BCP12204 [1,0,0,1,0,0|1,0,1]=4 70 B7R1.4 N[C@H]1CCOC1=O BCP20062 [1,0,0,1,0,0|0,0,0]=2 71 B7R1.4 O=C1CCCN1N BCP15282 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.4 O=C1N(N)CCC1 BCP08744 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [1,0,0,1,0,0|0,0,0]=2 74 B7R1.4 OC1CCNC1=O BCP00893 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.18 O=C(C1CNC1)O BCP07094 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.19 CC1(CC1)C(O)=O BCP16042 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.19 NC1(CC1)C(O)=O BCP05245 [1,0,0,1,0,0|0,0,0]=2 78 B9R1.35 O=C(O)[C@@H]1NC[C@@H](O)C1 BCP17069 [0,0,0,1,0,1|0,0,0]=2 79 B9R1.35 O=C(O)[C]1C[C@H](CN1)O BCP16291 [0,0,0,1,0,1|0,0,1]=3 80 B9R1.35 O=C(O)[C]1NC[C@@H](O)C1 BCP14276 [0,0,0,1,0,1|0,0,1]=3 81 B9R1.35 O=C(O)[C]1NC[C@@H](O)C1 BCP21137 [0,0,0,1,0,1|0,0,1]=3 82 B9R1.35 O[C@@H]1C[C](C(O)=O)NC1 BCP10481 [0,0,0,1,0,1|0,0,1]=3 83 B9R1.35 [C]1(NC[C](O)C1)C(=O)O BCP00339 [0,0,0,1,0,1|0,0,2]=4 84 B9R1.112 O=C(O)C(N)CC1CC1 BCP15435 [0,0,0,1,0,1|1,0,0]=3 85 B9R1.112 O=C(O)[C@@H](N)CC1CC1 BCP07233 [0,0,0,1,0,1|1,0,0]=3 86 B9R1.112 O=C(O)[C](N)CC1CC1 BCP18435 [0,0,0,1,0,1|1,0,1]=4 87 B9R1.152 [18F][C@H]1C[C@@](N)(C(O)=O)C1 BCP24384 [0,0,0,1,0,1|1,0,0]=3 88 B9R1.41 O=C(O)[C]1NCC[C@@H]1O BCP07241 [0,1,0,1,0,0|0,0,1]=3 89 B9R1.138 O=C1OCC(C)(C)[C@@H]1O BCP10328 [0,1,0,1,0,0|2,0,0]=4 90 B7R0.6 O=C(O)CSC(F)F BCP19125 [1,0,0,0,0,1|2,0,0]=4 91 B9R0.53 CC(C)C[C](N)CC(O)=O BCP11737 [0,0,0,0,0,2|1,0,1]=4