0 B6R0.4 CC(C)CCCO BCP06801 [1,0,0,0,0,0|1,0,2]=4 1 B6R0.4 CCCCC(N)=N BCP11276 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.4 OC(CSCC)=O BCP05241 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.23 CC(C)[C@@H](CC(=O)O)N BCP11719 [0,1,0,0,0,0|2,0,0]=3 4 B8R0.23 C[C@@H](C(Cl)=O)OC(C)=O BCP04460 [0,1,0,0,0,0|2,0,1]=4 5 B8R0.29 O=C(O)CNC(C)(C)C BCP01461 [0,1,0,0,0,0|3,0,0]=4 6 B8R1.3 O=C1NCC(C)CC1 BCP14293 [0,0,0,1,0,0|1,0,0]=2 7 B8R1.23 CN1CC(C1)C(=O)O BCP08430 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.23 O=C(O)[C@@H]1C[C@@H](N)C1 BCP04214 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.35 [*]C(OC[C@@H]1OC1)=O BCP12886 [0,0,0,1,0,0|2,0,0]=3 10 B8R1.77 CC1(C[C]1C(N)=O)C BCP16588 [0,0,0,1,0,0|2,0,0]=3 11 B6R0.2 CC(C)CC(N)=O BCP05941 [0,0,0,0,1,0|1,0,0]=2 12 B6R0.2 CC(C)NC(C)=O BCP19527 [0,0,0,0,1,0|1,0,0]=2 13 B6R0.2 CC(CC(N)=O)=O BCP19964 [0,0,0,0,1,0|2,0,1]=4 14 B6R0.2 CC(OC(C)=O)=O BCP20665 [0,0,0,0,1,0|1,0,1]=3 15 B6R0.2 CC(\C=C([O-])C)=O BCP15074 [0,0,0,0,1,0|1,0,2]=4 16 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [0,0,0,0,1,0|2,0,0]=3 17 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [0,0,0,0,1,0|2,0,0]=3 18 B6R0.2 OB(CC(C)C)O BCP12813 [0,0,0,0,1,0|2,0,1]=4 19 B8R0.28 CC(N)CCCC(C)C BCP18780 [0,0,0,0,0,1|2,0,1]=4 20 B8R0.28 O=C(O)\C=C\CN(C)C BCP05598 [0,0,0,0,0,1|3,0,0]=4 21 B8R0.28 O=C(O)\C=C\CN(C)C BCP09008 [0,0,0,0,0,1|3,0,0]=4 22 B5R0.1 CC(C)N=C=O BCP15287 [2,0,0,0,0,0|1,0,1]=4 23 B5R0.1 CC(OCCl)=O BCP16170 [2,0,0,0,0,0|1,0,0]=3 24 B5R0.1 C[C@@H](N)COC BCP19342 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.1 NNCC(C)C BCP06610 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.1 O=C(Cl)CCBr BCP20557 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.1 O=C(Cl)CCCl BCP09962 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.1 OC(CCO)=O BCP05902 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.1 OC(CCS)=O BCP16636 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.1 [S-]C(OCC)=S BCP29024 [2,0,0,0,0,0|1,1,0]=4 31 B5R0.2 ClCCOCC BCP15316 [2,0,0,0,0,0|1,0,1]=4 32 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [1,1,0,0,0,0|2,0,0]=4 33 B7R0.4 O=C(O)CCCCO BCP10662 [1,1,0,0,0,0|2,0,0]=4 34 B7R0.9 CC(C)CS(=O)(Cl)=O BCP07920 [0,1,0,0,1,0|2,0,0]=4 35 B7R0.16 CC(C)[C@@H](N)C(O)=O BCP10545 [0,1,0,0,1,0|1,0,0]=3 36 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O BCP08009 [0,1,0,0,1,0|2,0,0]=4 37 B7R0.16 O=C(C([O-])=O)C(C)C BCP18017 [0,1,0,0,1,0|1,0,1]=4 38 B9R0.53 CC(C)C[C](N)CC(O)=O BCP11737 [0,1,0,0,0,1|2,0,0]=4 39 B9R0.42 O=C(C(C)C)CC(OC)=O BCP13418 [0,2,0,0,0,0|1,0,1]=4 40 B9R0.48 O=C(CC#N)OCC(C)C BCP12770 [0,2,0,0,0,0|0,0,0]=2 41 B9R0.79 CC(C)[C@@H](O)[C](N)C(O)=O BCP09537 [0,2,0,0,0,0|2,0,0]=4 42 B9R0.79 N[C@@H](C(O)=O)[C@@H](O)C(C)C BCP09538 [0,2,0,0,0,0|2,0,0]=4 43 B7R1.2 O=C1NCC(O)C1 BCP07569 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [1,0,0,1,0,0|1,0,0]=3 45 B7R1.3 C[C@@H]1NCCOC1 BCP05272 [1,0,0,1,0,0|1,0,1]=4 46 B7R1.3 C[C@@H]1NCCOC1 BCP06972 [1,0,0,1,0,0|1,0,1]=4 47 B7R1.3 O=C1CCNCC1 BCP15157 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.3 O=C1CCSCC1 BCP09565 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.3 O=C1NCCCC1 BCP00878 [1,0,0,1,0,0|1,0,0]=3 50 B7R1.20 O=C(O)CC1CC1 BCP05386 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.35 S=C1OC[C](C(C)C)N1 BCP11217 [0,0,0,1,0,1|1,1,0]=4 52 B9R1.66 O=C1CCCC(C)(C)C1 BCP15134 [0,0,0,1,0,1|1,0,0]=3 53 B9R1.1 N#CC1CCC(CC1)=O BCP17260 [0,1,0,1,0,0|1,0,1]=4 54 B9R1.10 CC1(CCC(CC1)=O)C BCP07623 [0,1,0,1,0,0|1,0,0]=3 55 B9R1.10 CC1(OCC(CO1)=O)C BCP18840 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.69 CC1CN(C)CCC1=O BCP06571 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.82 OC1CC(C(OC)=O)C1 BCP07352 [0,1,0,1,0,0|2,0,0]=4 58 B9R1.138 O=C1OCC(C)(C)[C@@H]1O BCP10328 [0,1,0,1,0,0|0,0,0]=2 59 B9R1.112 O=C(O)C(N)CC1CC1 BCP15435 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.112 O=C(O)[C@@H](N)CC1CC1 BCP07233 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.112 O=C(O)[C](N)CC1CC1 BCP18435 [0,1,0,1,0,0|2,0,0]=4 62 B5R0.5 CC(C)C(C)O BCP29487 [0,0,0,0,2,0|0,0,2]=4 63 B5R0.5 CC(C)C(N)=N BCP07536 [0,0,0,0,2,0|2,0,0]=4 64 B5R0.5 C[C@@H](Cl)C(O)=O BCP14313 [0,0,0,0,2,0|2,0,0]=4 65 B5R0.5 C[C@@H](N)C(C)C BCP06945 [0,0,0,0,2,0|1,0,1]=4