0 B6R0.1 O=C(C#N)OCC BCP04941 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.1 O=C(C=C)OCC BCP06341 [0,0,0,0,0,0|0,0,0]=0 2 B6R0.1 O=C(OC)CCO BCP16887 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 O=C(OC)CCS BCP16637 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 O=C(OCC)CBr BCP04940 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.1 CC(OCCl)=O BCP16170 [1,0,0,0,0,0|1,0,1]=3 6 B5R0.1 NC(SCC)=N BCP20133 [1,0,0,0,0,0|2,1,0]=4 7 B5R0.1 O=C(Cl)CCBr BCP20557 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.1 O=C(Cl)CCCl BCP09962 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.1 OC(CCO)=O BCP05902 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 OC(CCS)=O BCP16636 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 [S-]C(OCC)=S BCP29024 [1,0,0,0,0,0|1,1,0]=3 12 B5R0.2 ClCCOCC BCP15316 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.3 O=C(CBr)CC BCP08723 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.3 O=C(NC)CBr BCP13174 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.3 O=C(OC)CBr BCP06456 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.2 C[C@@H](O)CC(OC)=O BCP15245 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.5 O=C(OCC)C(Cl)=O BCP20422 [0,1,0,0,0,0|1,0,0]=2 18 B7R0.7 O=C(OCC)C[N+]#[C-] BCP11231 [0,1,0,0,0,0|0,0,2]=3 19 B7R1.2 BrC1=CC=C(Br)O1 BCP17059 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.2 CC1=CC=C(C)N1 BCP18596 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.2 CN1N=C(Br)C=C1 BCP14739 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.2 Cn1ccc(n1)I BCP17280 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [0,0,0,1,0,0|1,0,1]=3 24 B7R1.3 O=C1C=CC=NN1 BCP04620 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.3 O=C1C=CN=CN1 BCP04213 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.3 O=C1C=CNC=N1 BCP13987 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.3 O=C1NCCCC1 BCP00878 [0,0,0,1,0,0|1,0,2]=4 28 B7R1.3 OC1C=CCCC1 BCP18001 [0,0,0,1,0,0|1,0,2]=4 29 B7R1.4 C=C1CCOC1=O BCP18620 [0,0,0,1,0,0|0,0,0]=1 30 B7R1.4 N[C@H]1CCOC1=O BCP20062 [0,0,0,1,0,0|1,0,1]=3 31 B7R1.4 O=C1CCCN1N BCP15282 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.4 O=C1N(N)CCC1 BCP08744 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [0,0,0,1,0,0|1,0,1]=3 34 B7R1.4 OC1CCNC1=O BCP00893 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.22 BrCC(C1CC1)=O BCP05144 [0,0,0,1,0,0|2,0,1]=4 36 B4R0.1 C=CC(Cl)=O BCP06212 [2,0,0,0,0,0|1,0,0]=3 37 B4R0.1 CC(CBr)=O BCP06577 [2,0,0,0,0,0|1,0,1]=4 38 B4R0.1 NC(C=C)=O BCP25183 [2,0,0,0,0,0|1,0,0]=3 39 B4R0.1 O=C(O)CCl BCP20585 [2,0,0,0,0,0|1,0,1]=4 40 B4R0.1 O=CC(O)=O BCP15407 [2,0,0,0,0,0|1,0,0]=3 41 B4R0.1 OC(C#C)=O BCP18740 [2,0,0,0,0,0|0,0,2]=4 42 B4R0.2 C=CCON BCP19009 [2,0,0,0,0,0|1,0,1]=4 43 B6R0.2 CC(C)CC(N)=O BCP05941 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.2 CC(C)NC(C)=O BCP19527 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.2 CC(OC(C)=O)=O BCP20665 [1,1,0,0,0,0|0,0,2]=4 46 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.3 CC[C](N)C(O)=O BCP04716 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.3 NC(CC)C(N)=O BCP08675 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.4 OC(CSCC)=O BCP05241 [1,1,0,0,0,0|1,1,0]=4 53 B6R0.6 C=CCCCCO BCP03575 [1,1,0,0,0,0|1,0,1]=4 54 B8R0.2 CCC(C)C(C([O-])=O)=O BCP13101 [0,2,0,0,0,0|2,0,0]=4 55 B8R0.5 CCOC(\C=C(N)\C)=O BCP12251 [0,2,0,0,0,0|0,0,0]=2 56 B8R0.5 O=C(OC(C)C)OCCl BCP13081 [0,2,0,0,0,0|1,0,1]=4 57 B8R0.5 O=C(OC(C)C)\C=CI BCP15356 [0,2,0,0,0,0|0,0,0]=2 58 B8R0.23 O=C([C](C)N)OC(C)C BCP16773 [0,2,0,0,0,0|0,0,2]=4 59 B8R0.1 O=C(CC#N)OCCC BCP12769 [0,2,0,0,0,0|0,0,2]=4 60 B8R0.1 O=C(OCC)C#CCC BCP20891 [0,2,0,0,0,0|0,0,2]=4 61 B8R0.1 O=C(OCC)\C=C\C=O BCP16342 [0,2,0,0,0,0|0,0,0]=2 62 B8R0.14 CCOC(=O)C(F)(F)C BCP10917 [0,2,0,0,0,0|0,0,2]=4 63 B8R0.14 O=C(OCC)C(C)(C)N BCP13883 [0,2,0,0,0,0|0,0,2]=4 64 B8R0.14 O=C(OCC)C(F)(Br)F BCP11101 [0,2,0,0,0,0|1,0,1]=4 65 B6R1.2 O=C1NCCC1 BCP15175 [1,0,0,1,0,0|1,0,1]=4 66 B6R1.2 O=C1OCC=C1 BCP15247 [1,0,0,1,0,0|0,0,1]=3 67 B6R1.2 O=C1SCCN1 BCP16484 [1,0,0,1,0,0|1,1,0]=4 68 B6R1.1 C1=CCNCC1 BCP09736 [1,0,0,1,0,0|1,0,1]=4 69 B6R1.1 O1CCC=CC1 BCP23557 [1,0,0,1,0,0|0,0,1]=3 70 B8R1.4 NC=1CCCC(C1)=O BCP19985 [0,1,0,1,0,0|1,0,0]=3 71 B8R1.3 O=C1C=CC(C)=CN1 BCP20199 [0,1,0,1,0,0|1,0,1]=4 72 B8R1.5 O=C1C(O)CCCO1 BCP06471 [0,1,0,1,0,0|0,0,2]=4