0 B6R0.2 CC(C)CC(N)=O BCP05941 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.2 CC(C)NC(C)=O BCP19527 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 CC(CC(N)=O)=O BCP19964 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(OC(C)=O)=O BCP20665 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 CC(\C=C([O-])C)=O BCP15074 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.2 OB(CC(C)C)O BCP12813 [0,0,0,0,0,0|1,0,3]=4 8 B6R0.2 OC(CC(O)=O)=O BCP05571 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CC(C)N=C=O BCP15287 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.1 OC(CCO)=O BCP05902 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.1 OC(CCS)=O BCP16636 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.2 C[C@@H](O)CC(OC)=O BCP15245 [0,1,0,0,0,0|1,0,2]=4 13 B7R0.2 C[C](O)CC(OC)=O BCP12973 [0,1,0,0,0,0|1,0,2]=4 14 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [0,1,0,0,0,0|1,0,2]=4 15 B7R0.2 O=C(OC)C=C(C)C BCP10333 [0,1,0,0,0,0|0,0,0]=1 16 B7R0.2 O=C(OC)\C=C(N)C BCP15340 [0,1,0,0,0,0|1,0,0]=2 17 B7R0.16 CC(C)[C@@H](N)C(O)=O BCP10545 [0,1,0,0,0,0|0,0,2]=3 18 B7R0.16 C[C]([C](C(=O)O)N)O BCP16820 [0,1,0,0,0,0|1,0,2]=4 19 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O BCP08009 [0,1,0,0,0,0|1,0,2]=4 20 B7R0.16 O=C(C([O-])=O)C(C)C BCP18017 [0,1,0,0,0,0|0,0,2]=3 21 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [0,0,0,1,0,0|1,0,1]=3 22 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [0,0,0,1,0,0|1,0,2]=4 23 B7R1.20 O=C(O)CC1CC1 BCP05386 [0,0,0,1,0,0|0,0,2]=3 24 B5R0.5 C=C(Cl)C(O)=O BCP13841 [0,0,0,0,1,0|1,0,1]=3 25 B5R0.5 CC(C)C(C)O BCP29487 [0,0,0,0,1,0|1,0,2]=4 26 B5R0.5 CC(C)C(N)=N BCP07536 [0,0,0,0,1,0|2,0,1]=4 27 B5R0.5 C[C@@H](Cl)C(O)=O BCP14313 [0,0,0,0,1,0|1,0,1]=3 28 B5R0.5 C[C](Cl)C(O)=O BCP11281 [0,0,0,0,1,0|1,0,1]=3 29 B5R0.5 O=C(C)C([O-])=O BCP13503 [0,0,0,0,1,0|1,0,1]=3 30 B7R0.6 O=[N+](\C=C\N(C)C)[O-] BCP29102 [0,0,0,0,0,1|2,0,1]=4 31 B4R0.1 C=CC(Cl)=O BCP06212 [2,0,0,0,0,0|1,0,0]=3 32 B4R0.1 NC(C=C)=O BCP25183 [2,0,0,0,0,0|1,0,0]=3 33 B4R0.1 O=C(O)CCl BCP20585 [2,0,0,0,0,0|1,0,1]=4 34 B4R0.1 O=CC(O)=O BCP15407 [2,0,0,0,0,0|1,0,0]=3 35 B4R0.1 OC(C#C)=O BCP18740 [2,0,0,0,0,0|0,0,2]=4 36 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [1,1,0,0,0,0|0,0,2]=4 37 B6R0.3 CC[C](N)C(O)=O BCP04716 [1,1,0,0,0,0|0,0,2]=4 38 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [1,1,0,0,0,0|0,0,2]=4 39 B6R0.3 C\C=C(C)\C(O)=O BCP18945 [1,1,0,0,0,0|0,0,0]=2 40 B6R0.4 O=C(O)\C=C\CBr BCP11140 [1,1,0,0,0,0|0,0,0]=2 41 B6R0.4 OC(CSCC)=O BCP05241 [1,1,0,0,0,0|0,0,2]=4 42 B6R0.5 C\C=CP(O)(O)=O BCP11869 [1,1,0,0,0,0|1,0,0]=3 43 B6R0.7 CC([C@](N)=O)(C)C BCP01233 [0,1,0,0,1,0|1,0,1]=4 44 B8R0.9 NCC(=O)CCC(O)=O BCP23830 [0,1,0,0,0,1|1,0,1]=4 45 B8R0.9 O=C(O)CCC(CN)=O BCP02161 [0,1,0,0,0,1|1,0,1]=4 46 B8R0.9 O=C(OC)\C=C\C(O)=O BCP18454 [0,1,0,0,0,1|1,0,0]=3 47 B8R0.23 CC(C)[C@@H](CC(=O)O)N BCP11719 [0,1,0,0,0,1|0,0,2]=4 48 B8R0.23 O=C(O)C(CC(O)=O)=O BCP16299 [0,1,0,0,0,1|2,0,0]=4 49 B8R0.29 O=C(O)CNC(C)(C)C BCP01461 [0,1,0,0,0,1|0,0,2]=4 50 B8R0.2 CC([C@H](N)C(OC)=O)C BCP11286 [0,2,0,0,0,0|0,0,2]=4 51 B8R0.2 CCC(C)C(C([O-])=O)=O BCP13101 [0,2,0,0,0,0|0,0,2]=4 52 B8R0.5 CCOC(\C=C(N)\C)=O BCP12251 [0,2,0,0,0,0|1,0,0]=3 53 B8R0.5 O=C(OC(C)C)OCCl BCP13081 [0,2,0,0,0,0|1,0,1]=4 54 B8R0.19 O=C(OC)CC(CCl)=O BCP19731 [0,2,0,0,0,0|1,0,1]=4 55 B8R0.27 CC(C)(C)C(C(O)=O)=O BCP18772 [0,2,0,0,0,0|0,0,1]=3 56 B8R0.27 NC(C(C)(C)C)C(=O)O BCP15485 [0,2,0,0,0,0|0,0,2]=4 57 B8R0.27 N[C@@H](C(O)=O)C(C)(S)C BCP17247 [0,2,0,0,0,0|0,0,2]=4 58 B8R0.27 N[C](C(O)=O)C(C)(C)C BCP04717 [0,2,0,0,0,0|0,0,2]=4 59 B6R1.2 BrC1=COC=C1 BCP10263 [1,0,0,1,0,0|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 B8R1.3 O=C1C=CC(C)=CN1 BCP20199 [0,0,0,1,0,1|1,0,1]=4 63 B8R1.3 O=C1C=NC(C)=CN1 BCP16191 [0,0,0,1,0,1|1,0,1]=4 64 B8R1.23 CN1CC(C1)C(=O)O BCP08430 [0,0,0,1,0,1|1,0,1]=4 65 B8R1.23 O=C(C1CC(C1)=O)O BCP01232 [0,0,0,1,0,1|1,0,1]=4 66 B8R1.23 O=C(C1CC(N1)=O)O BCP06201 [0,0,0,1,0,1|1,0,1]=4 67 B8R1.1 NCC1=CC(O)=NO1 BCP02327 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.1 O=C1NOC(CN)=C1 BCP23771 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.4 NC=1CCCC(C1)=O BCP19985 [0,1,0,1,0,0|2,0,0]=4 70 B8R1.18 CC1=CC(C)=NN1C BCP18636 [0,1,0,1,0,0|2,0,0]=4 71 B8R1.34 O=C(O)CC1CCC1 BCP15064 [0,1,0,1,0,0|0,0,2]=4 72 B8R1.54 O=C(O)[C@@H](N)C1CC1 BCP11588 [0,1,0,1,0,0|0,0,2]=4 73 B8R0.28 O=C(O)\C=C\CN(C)C BCP05598 [0,0,0,0,0,2|1,0,0]=3 74 B8R0.28 O=C(O)\C=C\CN(C)C BCP09008 [0,0,0,0,0,2|1,0,0]=3