0 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 CC[C](N)C(O)=O BCP04716 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.3 C\C=C(C)\C(O)=O BCP18945 [0,0,0,0,0,0|0,0,0]=0 4 B6R0.3 NC(CC)C(N)=O BCP08675 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.3 N[C](CO)C(O)=O BCP06311 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.3 O=C(NN)C(N)=O BCP15450 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 OC(CCO)=O BCP05902 [1,0,0,0,0,0|1,0,2]=4 8 B5R0.1 OC(CCS)=O BCP16636 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.5 C=C(Cl)C(O)=O BCP13841 [1,0,0,0,0,0|1,0,0]=2 10 B5R0.5 CC(C)C(C)O BCP29487 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.5 CC(C)C(N)=N BCP07536 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.5 C[C@@H](Cl)C(O)=O BCP14313 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.5 C[C](Cl)C(O)=O BCP11281 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.5 O=C(C)C([O-])=O BCP13503 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [0,1,0,0,0,0|1,0,2]=4 16 B7R0.5 COC[C](C(O)=O)N BCP11642 [0,1,0,0,0,0|1,0,2]=4 17 B7R0.5 NC(C(O)=O)CC=C BCP04800 [0,1,0,0,0,0|1,0,2]=4 18 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [0,1,0,0,0,0|1,0,2]=4 19 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [0,1,0,0,0,0|1,0,2]=4 20 B7R0.5 O=C(O)[C](CNC)N BCP09610 [0,1,0,0,0,0|1,0,2]=4 21 B7R0.5 O=C(OCC)C(Cl)=O BCP20422 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.10 COC([C](C)CO)=O BCP16617 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.10 O=C(OC)[C@@H](C)CO BCP07508 [0,1,0,0,0,0|1,0,2]=4 24 B7R0.13 C[C@](CO)(N)C(O)=O BCP10469 [0,1,0,0,0,0|1,0,2]=4 25 B7R0.13 N[C@](C(O)=O)(CC)C BCP11781 [0,1,0,0,0,0|0,0,2]=3 26 B7R0.13 O=C(O)C(C)(C)ON BCP12073 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.15 SC[C](N=[Se])C(O)=O BCP09581 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.16 CC(C)[C@@H](N)C(O)=O BCP10545 [0,1,0,0,0,0|1,0,2]=4 29 B7R0.16 C[C]([C](C(=O)O)N)O BCP16820 [0,1,0,0,0,0|1,0,2]=4 30 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O BCP08009 [0,1,0,0,0,0|1,0,2]=4 31 B7R0.16 O=C(C([O-])=O)C(C)C BCP18017 [0,1,0,0,0,0|1,0,2]=4 32 B7R1.4 C=C1CCOC1=O BCP18620 [0,0,0,1,0,0|0,0,2]=3 33 B7R1.4 N[C@H]1CCOC1=O BCP20062 [0,0,0,1,0,0|1,0,2]=4 34 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [0,0,0,1,0,0|1,0,2]=4 35 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.18 O=C(C1CNC1)O BCP07094 [0,0,0,1,0,0|1,0,2]=4 37 B7R1.19 CC1(CC1)C(O)=O BCP16042 [0,0,0,1,0,0|0,0,2]=3 38 B7R1.19 NC1(CC1)C(O)=O BCP05245 [0,0,0,1,0,0|1,0,2]=4 39 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [0,0,0,0,0,1|1,0,2]=4 40 B4R0.1 C=CC(Cl)=O BCP06212 [2,0,0,0,0,0|1,0,0]=3 41 B4R0.1 CC(CBr)=O BCP06577 [2,0,0,0,0,0|1,0,1]=4 42 B4R0.1 C[C@@H](O)CC BCP06774 [2,0,0,0,0,0|0,0,2]=4 43 B4R0.1 NC(C=C)=O BCP25183 [2,0,0,0,0,0|1,0,0]=3 44 B4R0.1 O=C(O)CCl BCP20585 [2,0,0,0,0,0|1,0,1]=4 45 B4R0.1 O=CC(O)=O BCP15407 [2,0,0,0,0,0|1,0,0]=3 46 B4R0.1 OC(C#C)=O BCP18740 [2,0,0,0,0,0|0,0,2]=4 47 B6R0.2 CC(CC(N)=O)=O BCP19964 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.2 CC(OC(C)=O)=O BCP20665 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.2 CC(\C=C([O-])C)=O BCP15074 [1,1,0,0,0,0|1,0,0]=3 50 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [1,1,0,0,0,0|0,0,2]=4 51 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [1,1,0,0,0,0|0,0,2]=4 52 B6R0.2 OC(CC(O)=O)=O BCP05571 [1,1,0,0,0,0|1,0,1]=4 53 B6R0.4 O=C(O)\C=C\CBr BCP11140 [1,1,0,0,0,0|0,0,0]=2 54 B6R0.4 OC(CSCC)=O BCP05241 [1,1,0,0,0,0|0,0,2]=4 55 B6R0.5 C\C=CP(O)(O)=O BCP11869 [1,1,0,0,0,0|1,0,0]=3 56 B6R0.7 CC([C@](N)=O)(C)C BCP01233 [1,1,0,0,0,0|1,0,1]=4 57 B8R0.23 C[C@@H](CC(=O)O)C(=O)O BCP23566 [0,1,0,0,0,1|1,0,1]=4 58 B8R0.23 O=C(O)C(CC(O)=O)=O BCP16299 [0,1,0,0,0,1|2,0,0]=4 59 B8R0.27 CC(C)(C)C(C(O)=O)=O BCP18772 [0,2,0,0,0,0|1,0,1]=4 60 B6R1.2 CC1=CC=NO1 BCP11243 [1,0,0,1,0,0|2,0,0]=4 61 B6R1.2 O=C1OCC=C1 BCP15247 [1,0,0,1,0,0|0,0,0]=2 62 B8R1.18 C[C]1NC(=O)OC1=O BCP18817 [0,0,0,1,0,1|1,0,1]=4 63 B8R1.18 Cc1nc(N)sc1C BCP18370 [0,0,0,1,0,1|1,1,0]=4 64 B8R1.18 NC1=NC(C)=C(C)S1 BCP14132 [0,0,0,1,0,1|1,1,0]=4 65 B8R1.34 O=C(O)CC1CCC1 BCP15064 [0,0,0,1,0,1|0,0,2]=4 66 B8R1.7 C1=C(C(=O)O)C=NO1 BCP10174 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.7 CC(C1=NCCS1)=O BCP17112 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.7 O=C(C1=CC=CS1)O BCP15028 [0,1,0,1,0,0|0,0,2]=4 69 B8R1.7 O=C(C1=CNC=C1)O BCP08157 [0,1,0,1,0,0|0,0,2]=4 70 B8R1.7 O=C(O)C1=COCC1 BCP10326 [0,1,0,1,0,0|0,0,0]=2 71 B8R1.7 O=C(O)C1CNCC1 BCP04865 [0,1,0,1,0,0|0,0,2]=4 72 B8R1.7 O=C([C]1NCSC1)O BCP13616 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.7 OC(=O)C1COCC1 BCP08172 [0,1,0,1,0,0|0,0,2]=4 74 B8R1.7 OC(=O)c1c[nH]nc1 BCP06636 [0,1,0,1,0,0|1,0,1]=4 75 B8R1.7 OC(=O)c1cc[nH]n1 BCP11490 [0,1,0,1,0,0|1,0,1]=4 76 B8R1.7 OC(C1=CNC=N1)=O BCP05792 [0,1,0,1,0,0|1,0,1]=4 77 B8R1.23 CN1CC(C1)C(=O)O BCP08430 [0,1,0,1,0,0|0,0,2]=4 78 B8R1.23 O=C(C1CC(C1)=O)O BCP01232 [0,1,0,1,0,0|1,0,1]=4 79 B8R1.23 O=C(C1CC(N1)=O)O BCP06201 [0,1,0,1,0,0|1,0,1]=4 80 B8R1.23 O=C(O)[C@@H]1C[C@@H](N)C1 BCP04214 [0,1,0,1,0,0|0,0,2]=4 81 B8R1.11 CC1=C(SC)C=CO1 BCP11303 [0,1,0,1,0,0|1,0,1]=4 82 B8R0.9 O=C(OC)\C=C\C(O)=O BCP18454 [0,0,0,0,0,2|2,0,0]=4