0 B7R1.3 BrC1=CC=NC=C1 BCP05990 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 C=C1CCNCC1 BCP15107 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.3 CC1=CC=CC=C1 BCP16202 [0,0,0,0,0,0|1,0,3]=4 3 B7R1.3 ClC1=NC=NC=C1 BCP05785 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.3 NC1=NC=NC=C1 BCP06825 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.3 NC1=NN=CC=C1 BCP13988 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.3 NC1CNCCC1 BCP10242 [0,0,0,0,0,0|2,0,2]=4 7 B7R1.3 N[C]1CNCCC1 BCP08366 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.3 O=C1C=CC=NN1 BCP04620 [0,0,0,0,0,0|2,0,1]=3 9 B7R1.3 O=C1C=CN=CN1 BCP04213 [0,0,0,0,0,0|2,0,1]=3 10 B7R1.3 O=C1C=CNC=N1 BCP13987 [0,0,0,0,0,0|2,0,1]=3 11 B7R1.3 O=C1CCNCC1 BCP15157 [0,0,0,0,0,0|1,0,2]=3 12 B7R1.3 O=C1CCSCC1 BCP09565 [0,0,0,0,0,0|1,0,2]=3 13 B7R1.3 O=C1NCCCC1 BCP00878 [0,0,0,0,0,0|1,0,1]=2 14 B7R1.3 OC1=CC=NC=C1 BCP08909 [0,0,0,0,0,0|1,0,3]=4 15 B7R1.3 OC1C=CCCC1 BCP18001 [0,0,0,0,0,0|0,0,2]=2 16 B7R1.3 OC1CCCNC1 BCP05290 [0,0,0,0,0,0|1,0,3]=4 17 B7R1.3 OC1CNCCC1 BCP05289 [0,0,0,0,0,0|1,0,3]=4 18 B6R1.1 C1=CC=CN=C1 BCP06413 [1,0,0,0,0,0|1,0,2]=4 19 B6R1.1 C1=CCNCC1 BCP09736 [1,0,0,0,0,0|1,0,1]=3 20 B6R1.1 C1=NC=CC=C1 BCP10411 [1,0,0,0,0,0|1,0,2]=4 21 B6R1.1 C1CCCCC1 BCP08072 [1,0,0,0,0,0|0,0,3]=4 22 B6R1.1 N1CCCCC1 BCP15342 [1,0,0,0,0,0|1,0,2]=4 23 B6R1.1 O1CCC=CC1 BCP23557 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.2 O=CN1CCCCC1 BCP20086 [0,1,0,0,0,0|1,0,2]=4 25 B8R1.3 O=C1C=CC(C)=CN1 BCP20199 [0,1,0,0,0,0|1,0,2]=4 26 B8R1.3 O=C1C=CC(N)=CN1 BCP05414 [0,1,0,0,0,0|1,0,2]=4 27 B8R1.3 O=C1NCC(C)CC1 BCP14293 [0,1,0,0,0,0|1,0,1]=3 28 B8R1.4 CN1CCNC(=O)C1 BCP17253 [0,1,0,0,0,0|2,0,1]=4 29 B8R1.4 NC=1CCCC(C1)=O BCP19985 [0,1,0,0,0,0|0,0,0]=1 30 B8R1.4 O=C1CC(N)CCN1 BCP07513 [0,1,0,0,0,0|1,0,1]=3 31 B8R1.4 O=C1NCC[C](O)C1 BCP14222 [0,1,0,0,0,0|1,0,2]=4 32 B8R1.4 OC1CCNC(=O)C1 BCP11689 [0,1,0,0,0,0|1,0,1]=3 33 B8R1.5 O=C1C(O)CCCO1 BCP06471 [0,1,0,0,0,0|1,0,1]=3 34 B8R1.5 O=C1CCOCC1C BCP07576 [0,1,0,0,0,0|1,0,2]=4 35 B8R1.5 O=C1NC=NC=C1Br BCP00937 [0,1,0,0,0,0|2,0,1]=4 36 B8R1.72 O=S1(CCCCO1)=O BCP23575 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.1 O=C(C#N)OCC BCP04941 [0,0,1,0,0,0|2,0,1]=4 38 B6R0.1 O=C(C=C)OCC BCP06341 [0,0,1,0,0,0|1,0,0]=2 39 B6R0.1 O=C(OC)CCO BCP16887 [0,0,1,0,0,0|2,0,1]=4 40 B6R0.1 O=C(OC)CCS BCP16637 [0,0,1,0,0,0|2,0,1]=4 41 B6R0.1 O=C(OCC)CBr BCP04940 [0,0,1,0,0,0|2,0,1]=4 42 B6R0.4 CCCCC(N)=N BCP11276 [0,0,1,0,0,0|2,0,1]=4 43 B6R0.4 O=C(O)\C=C\CBr BCP11140 [0,0,1,0,0,0|2,0,0]=3 44 B6R0.4 OC(CSCC)=O BCP05241 [0,0,1,0,0,0|2,0,1]=4 45 B6R0.6 C=CCCCCO BCP03575 [0,0,1,0,0,0|0,0,2]=3 46 B6R0.6 C=COCCON BCP14665 [0,0,1,0,0,0|3,0,0]=4 47 B6R0.6 O=CCCCCO BCP10790 [0,0,1,0,0,0|1,0,1]=3 48 B6R1.2 BrC1=COC=C1 BCP10263 [0,0,0,0,1,0|2,0,1]=4 49 B6R1.2 BrC1=NNC=C1 BCP00001 [0,0,0,0,1,0|3,0,0]=4 50 B6R1.2 CC1=CC=NO1 BCP11243 [0,0,0,0,1,0|3,0,0]=4 51 B6R1.2 CC1CCCO1 BCP16203 [0,0,0,0,1,0|2,0,1]=4 52 B6R1.2 NC1=NCCC1 BCP11252 [0,0,0,0,1,0|2,0,0]=3 53 B6R1.2 O=C1COCC1 BCP14176 [0,0,0,0,1,0|1,0,1]=3 54 B6R1.2 O=C1NCCC1 BCP15175 [0,0,0,0,1,0|1,0,0]=2 55 B6R1.2 O=C1OCC=C1 BCP15247 [0,0,0,0,1,0|1,0,0]=2 56 B6R1.2 O=C1SCCN1 BCP16484 [0,0,0,0,1,0|2,0,0]=3 57 B6R1.2 O=c1[nH]cc[nH]1 BCP13352 [0,0,0,0,1,0|2,0,1]=4 58 B5R0.1 CC(OCCl)=O BCP16170 [1,0,1,0,0,0|2,0,0]=4 59 B5R0.1 O=C(Cl)CCBr BCP20557 [1,0,1,0,0,0|2,0,0]=4 60 B5R0.1 O=C(Cl)CCCl BCP09962 [1,0,1,0,0,0|2,0,0]=4 61 B5R0.1 OC(CCO)=O BCP05902 [1,0,1,0,0,0|2,0,0]=4 62 B5R0.1 OC(CCS)=O BCP16636 [1,0,1,0,0,0|2,0,0]=4 63 B5R0.2 C=CCCC=C BCP08456 [1,0,1,0,0,0|0,0,1]=3 64 B5R0.2 O=CCCC=O BCP20105 [1,0,1,0,0,0|1,0,0]=3 65 B5R0.3 O=C(CBr)CC BCP08723 [1,0,1,0,0,0|1,0,1]=4 66 B5R0.3 O=C(NC)CBr BCP13174 [1,0,1,0,0,0|2,0,0]=4 67 B5R0.3 O=C(OC)CBr BCP06456 [1,0,1,0,0,0|2,0,0]=4 68 B7R0.2 C[C@@H](O)CC(OC)=O BCP15245 [0,1,1,0,0,0|1,0,1]=4 69 B7R0.2 O=C(OC)C=C(C)C BCP10333 [0,1,1,0,0,0|1,0,0]=3 70 B7R0.2 O=C(OC)\C=C(N)C BCP15340 [0,1,1,0,0,0|1,0,0]=3 71 B7R0.3 O=C(OC)\C=C\CBr BCP09298 [0,1,1,0,0,0|1,0,0]=3 72 B7R0.3 O=C(OC)\C=C\OC BCP18643 [0,1,1,0,0,0|1,0,0]=3 73 B7R0.5 O=C(OCC)C(Cl)=O BCP20422 [0,1,1,0,0,0|2,0,0]=4 74 B7R0.4 O=C(O)CCCCO BCP10662 [0,1,1,0,0,0|1,0,1]=4 75 B7R0.4 OC(\C=C\OCC)=O BCP05609 [0,1,1,0,0,0|1,0,0]=3 76 B7R1.1 O=CC1=CC=CN1 BCP13856 [0,1,0,0,1,0|1,0,1]=4 77 B7R1.1 O=CC1=CNC=C1 BCP05260 [0,1,0,0,1,0|1,0,1]=4 78 B7R1.1 O=CC1CCCC1 BCP12309 [0,1,0,0,1,0|0,0,2]=4 79 B7R1.2 O=C1NCC(O)C1 BCP07569 [0,1,0,0,1,0|1,0,0]=3 80 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [0,1,0,0,1,0|2,0,0]=4 81 B7R1.4 C=C1CCOC1=O BCP18620 [0,1,0,0,1,0|1,0,0]=3 82 B7R1.4 N[C@H]1CCOC1=O BCP20062 [0,1,0,0,1,0|1,0,0]=3 83 B7R1.4 O=C1CCCN1N BCP15282 [0,1,0,0,1,0|1,0,0]=3 84 B7R1.4 O=C1N(N)CCC1 BCP08744 [0,1,0,0,1,0|1,0,0]=3 85 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [0,1,0,0,1,0|1,0,0]=3 86 B7R1.4 OC1CCNC1=O BCP00893 [0,1,0,0,1,0|1,0,0]=3 87 B9R1.5 O=C1NCCCC[C]1N BCP14675 [0,1,0,0,0,1|0,0,2]=4 88 B9R1.1 N#CC1CCC(CC1)=O BCP17260 [0,2,0,0,0,0|0,0,2]=4 89 B9R1.2 COC=1CCCC(C1)=O BCP12186 [0,2,0,0,0,0|0,0,0]=2 90 B9R1.10 CC1(CCC(CC1)=O)C BCP07623 [0,2,0,0,0,0|0,0,2]=4 91 B9R1.69 O=C1C(N)CCC(N1)=O BCP16250 [0,2,0,0,0,0|1,0,0]=3 92 B9R1.69 O=C1CCC(C(N1)=O)N BCP05827 [0,2,0,0,0,0|1,0,0]=3 93 B9R1.69 O=C1CCC(C(N1)=O)N BCP13299 [0,2,0,0,0,0|1,0,0]=3 94 B9R1.66 O=C1CCCC(C)(C)C1 BCP15134 [0,2,0,0,0,0|0,0,2]=4 95 B7R1.22 BrCC(C1CC1)=O BCP05144 [0,0,1,1,0,0|1,0,1]=4 96 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [0,0,1,1,0,0|2,0,0]=4 97 B7R1.20 O=C(O)CC1CC1 BCP05386 [0,0,1,1,0,0|1,0,1]=4 98 B9R2.25 O=C1OC(C2C1C2)=O BCP11186 [0,1,0,1,0,0|1,0,0]=3 99 B5R1.1 C1=CCNC1 BCP09734 [1,0,0,0,1,0|1,0,0]=3 100 B5R1.1 S1N=CC=C1 BCP05147 [1,0,0,0,1,0|2,0,0]=4 101 B5R1.2 O=C1CCO1 BCP07366 [0,0,0,0,2,0|1,0,0]=3 102 B5R1.2 O=C1CNC1 BCP10186 [0,0,0,0,2,0|1,0,0]=3 103 B5R1.2 O=C1COC1 BCP05482 [0,0,0,0,2,0|1,0,0]=3 104 B9R1.50 O=C1CCCCCCC1 BCP09447 [0,0,0,0,0,2|0,0,2]=4