0 B6R0.1 O=C(C#N)OCC BCP04941 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 O=C(C=C)OCC BCP06341 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.1 O=C(OC)CCO BCP16887 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 O=C(OC)CCS BCP16637 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 O=C(OCC)CBr BCP04940 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(OCCl)=O BCP16170 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.3 O=C(CBr)CC BCP08723 [1,0,0,0,0,0|1,0,1]=3 7 B5R0.3 O=C(NC)CBr BCP13174 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.3 O=C(OC)CBr BCP06456 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.2 C[C@@H](O)CC(OC)=O BCP15245 [0,1,0,0,0,0|1,0,2]=4 10 B7R0.2 C[C](O)CC(OC)=O BCP12973 [0,1,0,0,0,0|1,0,2]=4 11 B7R0.2 O=C(OC)C=C(C)C BCP10333 [0,1,0,0,0,0|1,0,0]=2 12 B7R0.2 O=C(OC)\C=C(N)C BCP15340 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.3 O=C(OC)\C=C\CBr BCP09298 [0,1,0,0,0,0|1,0,0]=2 14 B7R0.3 O=C(OC)\C=C\OC BCP18643 [0,1,0,0,0,0|1,0,0]=2 15 B7R0.7 O=C(OCC)C[N+]#[C-] BCP11231 [0,1,0,0,0,0|1,0,2]=4 16 B7R1.1 BrCC1=CC=CS1 BCP05380 [0,0,0,1,0,0|1,1,1]=4 17 B7R1.1 BrCC1=CC=NO1 BCP11397 [0,0,0,1,0,0|2,0,1]=4 18 B7R1.1 CCC1=CC=CN1 BCP04114 [0,0,0,1,0,0|1,0,1]=3 19 B7R1.1 NCC1=CC=NO1 BCP11419 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.1 OCC1=CC=NO1 BCP11418 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.3 O=C1C=CC=NN1 BCP04620 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.3 O=C1C=CN=CN1 BCP04213 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.3 O=C1C=CNC=N1 BCP13987 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.3 O=C1CCNCC1 BCP15157 [0,0,0,1,0,0|1,0,2]=4 26 B7R1.3 O=C1CCSCC1 BCP09565 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.3 O=C1NCCCC1 BCP00878 [0,0,0,1,0,0|1,0,1]=3 28 B7R1.3 OC1C=CCCC1 BCP18001 [0,0,0,1,0,0|0,0,2]=3 29 B7R1.4 Cn1nccc1C BCP18637 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.4 N[C@H]1CCOC1=O BCP20062 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.4 OC1=CC=N[N]1C BCP17282 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.4 OC1CCNC1=O BCP00893 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.22 BrCC(C1CC1)=O BCP05144 [0,0,0,1,0,0|1,0,2]=4 35 B7R1.22 O=C(C1OC1)OC BCP18462 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.22 O=C(OC)[C@@H]1CO1 BCP07553 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.22 O=C([C@@H]1OC1)OC BCP16542 [0,0,0,1,0,0|2,0,1]=4 38 B4R0.1 C=CC(Cl)=O BCP06212 [2,0,0,0,0,0|1,0,0]=3 39 B4R0.1 CC(CBr)=O BCP06577 [2,0,0,0,0,0|1,0,0]=3 40 B4R0.1 C[C@@H](O)CC BCP06774 [2,0,0,0,0,0|0,0,2]=4 41 B4R0.1 NC(C=C)=O BCP25183 [2,0,0,0,0,0|1,0,0]=3 42 B4R0.1 O=C(O)CCl BCP20585 [2,0,0,0,0,0|2,0,0]=4 43 B4R0.1 O=CC(O)=O BCP15407 [2,0,0,0,0,0|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(CC(N)=O)=O BCP19964 [1,1,0,0,0,0|1,0,1]=4 46 B6R0.2 CC(OC(C)=O)=O BCP20665 [1,1,0,0,0,0|1,0,0]=3 47 B6R0.2 CC(\C=C([O-])C)=O BCP15074 [1,1,0,0,0,0|0,0,0]=2 48 B6R0.3 C\C=C(C)\C(O)=O BCP18945 [1,1,0,0,0,0|1,0,0]=3 49 B6R0.4 O=C(O)\C=C\CBr BCP11140 [1,1,0,0,0,0|1,0,0]=3 50 B6R0.5 C\C=CP(O)(O)=O BCP11869 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.9 CCN(N=O)CC BCP19136 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.5 CCOC(\C=C(N)\C)=O BCP12251 [0,2,0,0,0,0|0,0,0]=2 53 B8R0.5 O=C(OC(C)C)\C=CI BCP15356 [0,2,0,0,0,0|1,0,0]=3 54 B8R0.19 O=C(OC)CC(CCl)=O BCP19731 [0,2,0,0,0,0|1,0,1]=4 55 B8R0.1 O=C(OCC)C#CCC BCP20891 [0,2,0,0,0,0|0,0,2]=4 56 B8R0.1 O=C(OCC)\C=C\C=O BCP16342 [0,2,0,0,0,0|0,0,1]=3 57 B8R0.9 O=C(OC)\C=C\C(O)=O BCP18454 [0,2,0,0,0,0|1,0,1]=4 58 B8R0.14 CCOC(=O)C(F)(F)C BCP10917 [0,2,0,0,0,0|1,0,1]=4 59 B8R0.14 O=C(OCC)C(C)(C)N BCP13883 [0,2,0,0,0,0|1,0,1]=4 60 B8R0.14 O=C(\C=C\N)C(F)(F)F BCP14977 [0,2,0,0,0,0|2,0,0]=4 61 B6R1.2 CC1=CC=NO1 BCP11243 [1,0,0,1,0,0|1,0,1]=4 62 B6R1.2 O=C1COCC1 BCP14176 [1,0,0,1,0,0|1,0,1]=4 63 B6R1.2 O=C1NCCC1 BCP15175 [1,0,0,1,0,0|1,0,1]=4 64 B6R1.2 O=C1OCC=C1 BCP15247 [1,0,0,1,0,0|1,0,0]=3 65 B6R1.1 C1=CCNCC1 BCP09736 [1,0,0,1,0,0|1,0,1]=4 66 B6R1.1 O1CCC=CC1 BCP23557 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.1 C[N+]1=CN(CC)C=C1 BCP15816 [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 CN1CCNC(=O)C1 BCP17253 [0,1,0,1,0,0|1,0,1]=4 70 B8R1.4 NC=1CCCC(C1)=O BCP19985 [0,1,0,1,0,0|0,0,0]=2 71 B8R1.4 O=C1CC(N)CCN1 BCP07513 [0,1,0,1,0,0|1,0,1]=4 72 B8R1.4 OC1CCNC(=O)C1 BCP11689 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.18 CC1=CC(C)=NN1C BCP18636 [0,1,0,1,0,0|2,0,0]=4 74 B8R1.18 N=C1NC(CN1C)=O BCP14736 [0,1,0,1,0,0|2,0,0]=4 75 B8R1.3 O=C1C=CC(C)=CN1 BCP20199 [0,1,0,1,0,0|0,0,2]=4 76 B8R1.3 O=C1C=NC(C)=CN1 BCP16191 [0,1,0,1,0,0|1,0,1]=4 77 B8R1.3 O=C1NCC(C)CC1 BCP14293 [0,1,0,1,0,0|0,0,2]=4 78 B8R1.5 O=C1C(O)CCCO1 BCP06471 [0,1,0,1,0,0|1,0,1]=4 79 B8R1.5 O=C1CCOCC1C BCP07576 [0,1,0,1,0,0|0,0,2]=4 80 B8R1.50 O=C1CCC(N1Br)=O BCP15478 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.50 O=C1CCC(N1I)=O BCP18538 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.8 CNCC1=NOC=C1 BCP11421 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.11 CN1C(C=O)=CC=N1 BCP03858 [0,1,0,1,0,0|2,0,0]=4