0 B8R1.1 OC1CN(CC)CC1 BCP11284 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.1 CCN1CCCC1 BCP07071 [1,0,0,0,0,0|2,0,1]=4 2 B7R1.1 CC[C]1NCCC1 BCP11727 [1,0,0,0,0,0|1,0,2]=4 3 B7R1.1 CNC1COCC1 BCP11597 [1,0,0,0,0,0|3,0,0]=4 4 B7R1.1 OCC1CCCC1 BCP29184 [1,0,0,0,0,0|2,0,1]=4 5 B7R1.1 OCC1OCCO1 BCP19203 [1,0,0,0,0,0|2,0,1]=4 6 B7R1.1 OC[C@@H]1CNCC1 BCP20710 [1,0,0,0,0,0|3,0,0]=4 7 B7R1.2 O=C1NCC(O)C1 BCP07569 [1,0,0,0,0,0|3,0,0]=4 8 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.22 O[C]1[C](CO)OC(C1)=O BCP18088 [0,1,0,0,0,0|1,0,2]=4 10 B9R1.35 O=C1CC[C@@H](N1)C(=O)O BCP09505 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.2 CC(N)CC(C)CC BCP07039 [0,0,1,0,0,0|2,0,1]=4 12 B7R0.2 CC(N)CC(C)CC BCP18792 [0,0,1,0,0,0|2,0,1]=4 13 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [0,0,1,0,0,0|3,0,0]=4 14 B7R0.4 O=C(O)CCCCO BCP10662 [0,0,1,0,0,0|1,0,0]=2 15 B7R0.4 OC(\C=C\OCC)=O BCP05609 [0,0,1,0,0,0|1,0,2]=4 16 B9R2.39 O=C1[C@@H]2C[C@@H](C=C2)N1 BCP07500 [0,0,0,1,0,0|1,0,2]=4 17 B9R1.1 N#CC1CCC(CC1)=O BCP17260 [0,0,0,0,0,1|2,0,1]=4 18 B9R1.2 COC=1CCCC(C1)=O BCP12186 [0,0,0,0,0,1|2,0,1]=4 19 B6R0.1 O=C(C#N)OCC BCP04941 [1,0,1,0,0,0|1,0,1]=4 20 B6R0.1 O=C(C=C)OCC BCP06341 [1,0,1,0,0,0|0,0,2]=4 21 B6R0.1 O=C(OC)CCO BCP16887 [1,0,1,0,0,0|2,0,0]=4 22 B6R0.1 O=C(OC)CCS BCP16637 [1,0,1,0,0,0|2,0,0]=4 23 B6R0.1 O=C(OCC)CBr BCP04940 [1,0,1,0,0,0|1,0,0]=3 24 B6R0.2 CC(C)CC(N)=O BCP05941 [1,0,1,0,0,0|2,0,0]=4 25 B6R0.2 CC(C)NC(C)=O BCP19527 [1,0,1,0,0,0|1,0,0]=3 26 B6R0.2 CC(OC(C)=O)=O BCP20665 [1,0,1,0,0,0|1,0,1]=4 27 B6R0.4 CCCCC(N)=N BCP11276 [1,0,1,0,0,0|2,0,0]=4 28 B6R0.4 OC(CSCC)=O BCP05241 [1,0,1,0,0,0|1,0,0]=3 29 B6R0.6 C=CCCCCO BCP03575 [1,0,1,0,0,0|2,0,0]=4 30 B6R0.6 CCCCCCO BCP29486 [1,0,1,0,0,0|0,0,1]=3 31 B6R0.6 O=CCCCCO BCP10790 [1,0,1,0,0,0|1,0,0]=3 32 B6R0.6 OCCCCOC BCP22070 [1,0,1,0,0,0|1,0,1]=4 33 B6R0.9 CCN(N=O)CC BCP19136 [1,0,1,0,0,0|2,0,0]=4 34 B6R1.2 CC1CCCO1 BCP16203 [2,0,0,0,0,0|0,0,1]=3 35 B6R1.2 NC1=NCCC1 BCP11252 [2,0,0,0,0,0|2,0,0]=4 36 B6R1.2 O=C1COCC1 BCP14176 [2,0,0,0,0,0|2,0,0]=4 37 B6R1.2 O=C1NCCC1 BCP15175 [2,0,0,0,0,0|1,0,0]=3 38 B6R1.2 O=C1OCC=C1 BCP15247 [2,0,0,0,0,0|0,0,2]=4 39 B6R1.2 O=C1SCCN1 BCP16484 [2,0,0,0,0,0|1,1,0]=4 40 B8R0.2 CCC(C)C(C([O-])=O)=O BCP13101 [0,1,1,0,0,0|2,0,0]=4 41 B8R0.23 C[C@@H](C(Cl)=O)OC(C)=O BCP04460 [0,1,1,0,0,0|1,0,1]=4 42 B8R0.1 O=C(CC#N)OCCC BCP12769 [0,1,1,0,0,0|0,0,1]=3 43 B8R0.1 O=C(OCC)C#CCC BCP20891 [0,1,1,0,0,0|1,0,1]=4 44 B8R1.52 OC1(CC)CCCC1 BCP15324 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.13 O=C1CCC(CC1)N(C)C BCP03024 [0,1,0,0,0,1|2,0,0]=4 46 B10R1.34 O=C1OC(CO)C(C1O)O BCP08465 [0,2,0,0,0,0|1,0,0]=3 47 B8R1.34 O=C(O)CC1CCC1 BCP15064 [0,0,1,1,0,0|2,0,0]=4 48 B8R1.3 NC1CCC(O)CC1 BCP06182 [0,0,1,1,0,0|1,0,1]=4 49 B8R1.3 O=C1NCC(C)CC1 BCP14293 [0,0,1,1,0,0|1,0,0]=3 50 B8R1.3 OC1CCN(C)CC1 BCP05292 [0,0,1,1,0,0|2,0,0]=4 51 B8R1.5 O=C1C(O)CCCO1 BCP06471 [0,0,1,1,0,0|1,0,0]=3 52 B8R1.5 O=C1CCOCC1C BCP07576 [0,0,1,1,0,0|2,0,0]=4 53 B8R2.34 C12CC(CO1)NC2 BCP15814 [1,0,0,1,0,0|1,0,1]=4 54 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [0,0,1,0,1,0|2,0,0]=4 55 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [0,0,1,0,1,0|1,0,0]=3 56 B6R0.3 NC(CC)C(N)=O BCP08675 [0,0,1,0,1,0|2,0,0]=4 57 B6R1.6 BrCC1CCC1 BCP18414 [1,0,0,0,1,0|1,0,1]=4 58 B6R1.6 OCC1CCC1 BCP17767 [1,0,0,0,1,0|1,0,1]=4