0 B7R0.1 CCCCSCCO B049703 [0,0,0,0,0,0|1,0,3]=4 1 B8R1.8 CCCC1=CC=CS1 B046363 [0,0,0,1,0,0|0,1,2]=4 2 B8R1.8 NCCC1=CC=CO1 B029933 [0,0,0,1,0,0|1,0,2]=4 3 B8R1.8 NCCC1=CC=CO1 B049455 [0,0,0,1,0,0|1,0,2]=4 4 B8R1.11 CC1=C(CO)N=CN1 B037486 [0,0,0,1,0,0|2,0,1]=4 5 B8R1.11 CC1=C(CO)SC=N1 B059809 [0,0,0,1,0,0|2,0,1]=4 6 B8R1.11 CC1=CNN=C1CO B058953 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.11 CCC1=CC=NN1C B037958 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.11 CN1C=CN=C1CCl B049898 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.11 CN1N=CC=C1CBr B052534 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.11 CN1N=CC=C1CCl B036160 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.11 CN1N=CC=C1CCl B062237 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.11 CN1N=CC=C1CN B007404 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.11 CN1N=CC=C1CN B016043 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.11 CN1N=CC=C1CO B030040 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.11 CN1N=CN=C1CO B052548 [0,0,0,1,0,0|3,0,0]=4 16 B5R0.2 CCSCCO B049702 [2,0,0,0,0,0|1,0,1]=4 17 B9R0.47 CCO\C=C\C(=O)C(F)F B052515 [0,2,0,0,0,0|2,0,0]=4 18 B7R1.1 CCN1C=CC=N1 B006762 [1,0,0,1,0,0|2,0,0]=4 19 B7R1.1 ClCC1=CC=NO1 B049837 [1,0,0,1,0,0|2,0,0]=4 20 B7R1.1 OCC1=NNC=C1 B047364 [1,0,0,1,0,0|2,0,0]=4 21 B7R1.4 CC1=CC=NN1C B006758 [1,0,0,1,0,0|2,0,0]=4 22 B7R1.4 CC1=CN=CN1C B051897 [1,0,0,1,0,0|2,0,0]=4 23 B7R1.4 CC1=NC=CN1C B046339 [1,0,0,1,0,0|2,0,0]=4 24 B9R1.8 BrCCC1=NC=CC=C1 B050856 [0,1,0,1,0,0|1,0,1]=4 25 B9R1.8 CNCC1=CC=CC=N1 B059678 [0,1,0,1,0,0|1,0,1]=4 26 B9R1.8 ClCCC1=NC=CC=C1 B050813 [0,1,0,1,0,0|1,0,1]=4 27 B9R1.8 NOCC1=CC=CC=C1 B022277 [0,1,0,1,0,0|0,0,2]=4 28 B9R1.15 CC1=C(CBr)N=CC=C1 B016007 [0,1,0,1,0,0|1,0,1]=4 29 B9R1.15 CC1=C(CBr)N=CC=C1 B062311 [0,1,0,1,0,0|1,0,1]=4 30 B9R1.15 COC1=CC=CN=C1O B039509 [0,1,0,1,0,0|1,0,1]=4 31 B9R1.22 CC1=CN(C)C(CO)=N1 B052647 [0,1,0,1,0,0|2,0,0]=4 32 B9R1.22 CC1=NN(C)C(CO)=C1 B036104 [0,1,0,1,0,0|2,0,0]=4 33 B9R1.22 CN1N=C(N)C=C1CO B047622 [0,1,0,1,0,0|2,0,0]=4 34 B9R1.27 CC1=C(CO)N(C)N=C1 B052576 [0,1,0,1,0,0|2,0,0]=4 35 B9R1.27 CN1N=CC(Br)=C1CO B047558 [0,1,0,1,0,0|2,0,0]=4 36 B9R1.27 CN1N=CC(Cl)=C1CO B047518 [0,1,0,1,0,0|2,0,0]=4 37 B9R1.27 CN1N=CC(I)=C1CO B062176 [0,1,0,1,0,0|2,0,0]=4 38 B9R1.33 COCC1=CC=NN1C B057755 [0,1,0,1,0,0|2,0,0]=4 39 B9R1.14 CCC1=CC=NN1CC B036770 [0,1,0,1,0,0|2,0,0]=4 40 B9R1.14 CCN1C=CN=C1CN B059679 [0,1,0,1,0,0|2,0,0]=4 41 B9R1.14 CCN1N=CC=C1CCl B037461 [0,1,0,1,0,0|2,0,0]=4 42 B9R1.14 CCN1N=CC=C1CCl B052540 [0,1,0,1,0,0|2,0,0]=4 43 B9R1.14 CCN1N=CC=C1CN B007408 [0,1,0,1,0,0|2,0,0]=4 44 B9R1.14 CCN1N=CC=C1CN B037147 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.14 CCN1N=CC=C1CO B036482 [0,1,0,1,0,0|1,0,0]=3 46 B9R1.14 CCN1N=CN=C1CO B058956 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.11 COC(=O)C1=CC=NO1 B038949 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.21 CCC1=CC=C(C=O)S1 B003568 [0,1,0,1,0,0|0,0,2]=4 49 B9R1.21 CCN1C=C(CO)C=N1 B000982 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.21 CCN1C=CC(CBr)=N1 B052543 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.21 CCN1C=CC(CCl)=N1 B037181 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.21 CCN1C=CC(CN)=N1 B007406 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.21 CCN1C=CC(CO)=N1 B037316 [0,1,0,1,0,0|1,0,0]=3 54 B9R1.132 CC1=CC=C(CN)N1C B049048 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.132 CC1=CN=C(CO)N1C B052645 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.13 CC(N)CC1=CC=CO1 B030489 [0,1,0,1,0,0|0,0,2]=4