0 B5R0.1 CC(OCCl)=O BCP16170 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C[C@@H](N)COC BCP19342 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 NC(SCC)=N BCP20133 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 O=C(Cl)CCBr BCP20557 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 O=C(Cl)CCCl BCP09962 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 OC(CCO)=O BCP05902 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 OC(CCS)=O BCP16636 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.1 [S-]C(OCC)=S BCP29024 [0,0,0,0,0,0|2,1,1]=4 8 B4R0.1 C#CC(N)=O BCP15743 [1,0,0,0,0,0|1,0,2]=4 9 B4R0.1 C=CC(Cl)=O BCP06212 [1,0,0,0,0,0|1,0,0]=2 10 B4R0.1 CC(CBr)=O BCP06577 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.1 CN(C)NC BCP16365 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.1 C[C@@H](O)CC BCP06774 [1,0,0,0,0,0|0,0,3]=4 13 B4R0.1 NC(C=C)=O BCP25183 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.1 O=C(O)CCl BCP20585 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 O=CC(O)=O BCP15407 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 OC(C#C)=O BCP18740 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.1 O=C(C#N)OCC BCP04941 [0,1,0,0,0,0|1,0,2]=4 18 B6R0.1 O=C(C=C)OCC BCP06341 [0,1,0,0,0,0|1,0,2]=4 19 B6R0.1 O=C(OC)CCO BCP16887 [0,1,0,0,0,0|1,0,2]=4 20 B6R0.1 O=C(OC)CCS BCP16637 [0,1,0,0,0,0|1,0,2]=4 21 B6R0.1 O=C(OCC)CBr BCP04940 [0,1,0,0,0,0|1,0,1]=3 22 B6R0.2 CC(C)CC(N)=O BCP05941 [0,1,0,0,0,0|1,0,2]=4 23 B6R0.2 CC(C)NC(C)=O BCP19527 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.2 CC(CC(N)=O)=O BCP19964 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.2 CC(OC(C)=O)=O BCP20665 [0,1,0,0,0,0|1,0,0]=2 26 B6R0.2 CC(\C=C([O-])C)=O BCP15074 [0,1,0,0,0,0|0,0,0]=1 27 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [0,1,0,0,0,0|1,0,2]=4 28 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [0,1,0,0,0,0|1,0,2]=4 29 B6R0.2 OC(CC(O)=O)=O BCP05571 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [0,1,0,0,0,0|1,0,2]=4 31 B6R0.3 CC[C](N)C(O)=O BCP04716 [0,1,0,0,0,0|1,0,2]=4 32 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [0,1,0,0,0,0|1,0,2]=4 33 B6R0.3 C\C=C(C)\C(O)=O BCP18945 [0,1,0,0,0,0|1,0,0]=2 34 B6R0.3 NC(CC)C(N)=O BCP08675 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.3 O=C(NN)C(N)=O BCP15450 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.4 O=C(O)\C=C\CBr BCP11140 [0,1,0,0,0,0|1,0,0]=2 37 B6R0.4 OC(CSCC)=O BCP05241 [0,1,0,0,0,0|1,0,2]=4 38 B6R0.5 C\C=CP(O)(O)=O BCP11869 [0,1,0,0,0,0|2,0,0]=3 39 B6R1.2 BrC1=COC=C1 BCP10263 [0,0,0,1,0,0|2,0,1]=4 40 B6R1.2 BrC1=NNC=C1 BCP00001 [0,0,0,1,0,0|3,0,0]=4 41 B6R1.2 CC1=CC=NO1 BCP11243 [0,0,0,1,0,0|1,0,1]=3 42 B6R1.2 CC1=NNC=N1 BCP08231 [0,0,0,1,0,0|3,0,0]=4 43 B6R1.2 NC1=NCCC1 BCP11252 [0,0,0,1,0,0|2,0,1]=4 44 B6R1.2 O=C1COCC1 BCP14176 [0,0,0,1,0,0|1,0,1]=3 45 B6R1.2 O=C1NCCC1 BCP15175 [0,0,0,1,0,0|1,0,1]=3 46 B6R1.2 O=C1OCC=C1 BCP15247 [0,0,0,1,0,0|1,0,0]=2 47 B6R1.2 O=C1SCCN1 BCP16484 [0,0,0,1,0,0|2,0,1]=4 48 B6R1.2 O=c1[nH]cc[nH]1 BCP13352 [0,0,0,1,0,0|2,0,1]=4 49 B3R0.1 C#CC=O BCP06452 [2,0,0,0,0,0|0,0,2]=4 50 B3R0.1 C=CC=O BCP07056 [2,0,0,0,0,0|0,0,0]=2 51 B3R0.2 C=C(Br)F BCP15164 [2,0,0,0,0,0|2,0,0]=4 52 B3R0.2 CC(O)=O BCP05544 [2,0,0,0,0,0|1,0,0]=3 53 B3R0.2 OC(O)=O BCP14602 [2,0,0,0,0,0|2,0,0]=4 54 B3R0.2 [O-]C(=O)C BCP05504 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.3 O=C(CBr)CC BCP08723 [1,1,0,0,0,0|0,0,1]=3 56 B5R0.3 O=C(NC)CBr BCP13174 [1,1,0,0,0,0|1,0,0]=3 57 B5R0.3 O=C(OC)CBr BCP06456 [1,1,0,0,0,0|1,0,0]=3 58 B5R0.5 C=C(Cl)C(O)=O BCP13841 [1,1,0,0,0,0|1,0,0]=3 59 B5R0.5 C[C@@H](Cl)C(O)=O BCP14313 [1,1,0,0,0,0|1,0,1]=4 60 B5R0.5 C[C](Cl)C(O)=O BCP11281 [1,1,0,0,0,0|1,0,1]=4 61 B5R0.5 O=C(C)C([O-])=O BCP13503 [1,1,0,0,0,0|1,0,0]=3 62 B5R0.2 O=CCCC=O BCP20105 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.2 C[C@@H](O)CC(OC)=O BCP15245 [0,2,0,0,0,0|0,0,2]=4 64 B7R0.2 C[C](O)CC(OC)=O BCP12973 [0,2,0,0,0,0|0,0,2]=4 65 B7R0.2 O=C(OC)C=C(C)C BCP10333 [0,2,0,0,0,0|0,0,0]=2 66 B7R0.2 O=C(OC)\C=C(N)C BCP15340 [0,2,0,0,0,0|0,0,0]=2 67 B7R0.3 O=C(OC)\C=C\CBr BCP09298 [0,2,0,0,0,0|0,0,0]=2 68 B7R0.3 O=C(OC)\C=C\OC BCP18643 [0,2,0,0,0,0|0,0,0]=2 69 B7R0.5 O=C(OCC)C(Cl)=O BCP20422 [0,2,0,0,0,0|1,0,1]=4 70 B7R0.7 O=C(OCC)C[N+]#[C-] BCP11231 [0,2,0,0,0,0|1,0,1]=4 71 B7R0.16 O=C(C([O-])=O)C(C)C BCP18017 [0,2,0,0,0,0|1,0,1]=4 72 B7R0.4 OC(\C=C\OCC)=O BCP05609 [0,2,0,0,0,0|1,0,0]=3 73 B7R0.6 O=[N+](\C=C\N(C)C)[O-] BCP29102 [0,2,0,0,0,0|2,0,0]=4 74 B5R1.2 O=C1CCO1 BCP07366 [1,0,0,1,0,0|1,0,0]=3 75 B5R1.2 O=C1CNC1 BCP10186 [1,0,0,1,0,0|1,0,1]=4 76 B5R1.2 O=C1COC1 BCP05482 [1,0,0,1,0,0|1,0,1]=4 77 B5R1.1 C1=CCNC1 BCP09734 [1,0,0,1,0,0|1,0,1]=4 78 B5R1.1 S1N=CC=C1 BCP05147 [1,0,0,1,0,0|1,1,0]=4 79 B7R1.1 BrCC1=CC=CS1 BCP05380 [0,1,0,1,0,0|0,1,1]=4 80 B7R1.1 BrCC1=CC=NO1 BCP11397 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.1 CCC1=CC=CN1 BCP04114 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.1 NCC1=CC=NO1 BCP11419 [0,1,0,1,0,0|1,0,1]=4 83 B7R1.1 O=CC1=CC=CN1 BCP13856 [0,1,0,1,0,0|1,0,1]=4 84 B7R1.1 O=CC1=CNC=C1 BCP05260 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.1 OCC1=CC=NO1 BCP11418 [0,1,0,1,0,0|1,0,1]=4 86 B7R1.2 CC1=CC=C(C)N1 BCP18596 [0,1,0,1,0,0|1,0,0]=3 87 B7R1.2 CC1=NN=C(C)N1 BCP11310 [0,1,0,1,0,0|2,0,0]=4 88 B7R1.2 CN1N=C(Br)C=C1 BCP14739 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.2 Cn1ccc(n1)I BCP17280 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.2 NC1=NC=C(C)N1 BCP11475 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.2 O=C1NCC(O)C1 BCP07569 [0,1,0,1,0,0|1,0,1]=4 92 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [0,1,0,1,0,0|1,0,1]=4 93 B7R1.3 CC1=CC=CC=C1 BCP16202 [0,1,0,1,0,0|1,0,1]=4 94 B7R1.3 O=C1C=CC=NN1 BCP04620 [0,1,0,1,0,0|1,0,1]=4 95 B7R1.3 O=C1C=CN=CN1 BCP04213 [0,1,0,1,0,0|1,0,1]=4 96 B7R1.3 O=C1C=CNC=N1 BCP13987 [0,1,0,1,0,0|1,0,1]=4 97 B7R1.3 O=C1CCNCC1 BCP15157 [0,1,0,1,0,0|0,0,2]=4 98 B7R1.3 O=C1CCSCC1 BCP09565 [0,1,0,1,0,0|0,0,2]=4 99 B7R1.3 O=C1NCCCC1 BCP00878 [0,1,0,1,0,0|0,0,2]=4 100 B7R1.3 OC1C=CCCC1 BCP18001 [0,1,0,1,0,0|0,0,2]=4 101 B7R1.4 C=C1CCOC1=O BCP18620 [0,1,0,1,0,0|1,0,1]=4 102 B7R1.4 Cn1nccc1C BCP18637 [0,1,0,1,0,0|2,0,0]=4 103 B7R1.4 N[C@H]1CCOC1=O BCP20062 [0,1,0,1,0,0|1,0,1]=4 104 B7R1.4 O=C1CCCN1N BCP15282 [0,1,0,1,0,0|1,0,1]=4 105 B7R1.4 O=C1N(N)CCC1 BCP08744 [0,1,0,1,0,0|1,0,1]=4 106 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [0,1,0,1,0,0|1,0,1]=4 107 B7R1.4 OC1=CC=N[N]1C BCP17282 [0,1,0,1,0,0|1,0,1]=4 108 B7R1.4 OC1CCNC1=O BCP00893 [0,1,0,1,0,0|1,0,1]=4 109 B7R1.22 BrCC(C1CC1)=O BCP05144 [0,1,0,1,0,0|0,0,2]=4 110 B7R1.22 O=C(C1OC1)OC BCP18462 [0,1,0,1,0,0|1,0,1]=4 111 B7R1.22 O=C(OC)[C@@H]1CO1 BCP07553 [0,1,0,1,0,0|1,0,1]=4 112 B7R1.22 O=C([C@@H]1OC1)OC BCP16542 [0,1,0,1,0,0|1,0,1]=4