0 B6R0.1 C#CC(=O)OCC B051748 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.1 COCC(=O)NN B015437 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 CCC(=O)NN B015434 [1,0,0,0,0,0|2,0,0]=3 3 B5R0.3 CC\C(N)=N\O B030359 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.3 CNCCC(=O)NC B039605 [0,1,0,0,0,0|1,0,2]=4 5 B7R0.5 CCOC(=O)C(F)F B020251 [0,1,0,0,0,0|2,0,1]=4 6 B7R0.7 CCOC(=O)CNN B020270 [0,1,0,0,0,0|2,0,1]=4 7 B7R1.1 CCN1C=CC=N1 B006762 [0,0,0,1,0,0|2,0,1]=4 8 B7R1.1 CCN1C=CN=C1 B039755 [0,0,0,1,0,0|3,0,0]=4 9 B7R1.1 ClCC1=CC=NO1 B049837 [0,0,0,1,0,0|2,0,1]=4 10 B7R1.1 ClCC1=NOC=C1 B049730 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.1 NCC1=NNC=C1 B014395 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.1 OCC1=NNC=C1 B047364 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.2 CC1=CC(I)=NN1 B051816 [0,0,0,1,0,0|3,0,0]=4 14 B7R1.2 CC1=NOC(N)=C1 B030049 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.4 CC1=CC=NN1C B006758 [0,0,0,1,0,0|3,0,0]=4 16 B7R1.4 CN1N=CC=C1Br B051184 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.4 CN1N=CC=C1F B052471 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.4 CN1N=CC=C1I B051213 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.4 CN1N=CC=C1N B024266 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.4 CN1N=CC=C1N B029997 [0,0,0,1,0,0|3,0,0]=4 21 B8R0.23 CC(=O)CC(=O)C(F)F B001458 [0,2,0,0,0,0|1,0,1]=4 22 B8R0.14 CNCC(=O)C(C)(C)C B050190 [0,2,0,0,0,0|1,0,1]=4 23 B6R1.2 CC1=NNC=C1 B022230 [1,0,0,1,0,0|2,0,0]=4 24 B8R1.1 CC1=CC(CCl)=NO1 B037983 [0,1,0,1,0,0|1,0,1]=4 25 B8R1.1 CC1=CC(CO)=NO1 B037451 [0,1,0,1,0,0|1,0,1]=4 26 B8R1.1 CC1=CC=C(CN)S1 B030516 [0,1,0,1,0,0|1,1,0]=4 27 B8R1.1 CC1=CSC(CCl)=N1 B059707 [0,1,0,1,0,0|2,0,0]=4 28 B8R1.1 CC1=CSC(CN)=N1 B030505 [0,1,0,1,0,0|2,0,0]=4 29 B8R1.1 CC1=NNC(C=O)=C1 B014001 [0,1,0,1,0,0|2,0,0]=4 30 B8R1.1 CC1=NNC(CN)=C1 B040410 [0,1,0,1,0,0|2,0,0]=4 31 B8R1.1 CC1=NOC(CN)=C1 B038372 [0,1,0,1,0,0|1,0,1]=4 32 B8R1.1 CC1=NOC(CN)=C1 B039279 [0,1,0,1,0,0|1,0,1]=4 33 B8R1.1 CC1=NOC(CO)=C1 B037452 [0,1,0,1,0,0|1,0,1]=4 34 B8R1.1 CCC1=CC(Br)=CS1 B046186 [0,1,0,1,0,0|0,1,1]=4 35 B8R1.1 CCN1C=C(C)C=N1 B052000 [0,1,0,1,0,0|2,0,0]=4 36 B8R1.1 CCN1C=CC(C)=N1 B006751 [0,1,0,1,0,0|2,0,0]=4 37 B8R1.1 CCN1C=NC(C)=C1 B051963 [0,1,0,1,0,0|2,0,0]=4 38 B8R1.1 CN1C=CC(CCl)=N1 B047328 [0,1,0,1,0,0|2,0,0]=4 39 B8R1.1 CN1C=CC(CN)=N1 B007402 [0,1,0,1,0,0|2,0,0]=4 40 B8R1.1 CN1C=CC(CN)=N1 B016053 [0,1,0,1,0,0|2,0,0]=4 41 B8R1.1 CN1C=CC(CO)=N1 B047329 [0,1,0,1,0,0|2,0,0]=4 42 B8R1.18 CC1=CC(Br)=NN1C B050946 [0,1,0,1,0,0|2,0,0]=4 43 B8R1.18 CC1=CC(Cl)=NN1C B058980 [0,1,0,1,0,0|2,0,0]=4 44 B8R1.18 CC1=CC(I)=NN1C B050965 [0,1,0,1,0,0|2,0,0]=4 45 B8R1.18 CC1=CC(N)=NN1C B020972 [0,1,0,1,0,0|2,0,0]=4 46 B8R1.18 CC1=CC(N)=NN1C B039190 [0,1,0,1,0,0|2,0,0]=4 47 B8R1.18 CC1=CC(N)=NN1C B047156 [0,1,0,1,0,0|2,0,0]=4 48 B8R1.18 CC1=NN(C)C(F)=C1 B051212 [0,1,0,1,0,0|2,0,0]=4 49 B8R1.18 CC1=NN(C)C(N)=C1 B024294 [0,1,0,1,0,0|2,0,0]=4 50 B8R1.18 CC1=NN(C)C(N)=C1 B051584 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.2 C#CC1=CCCCC1 B050145 [0,1,0,1,0,0|1,0,1]=4 52 B8R1.5 NC1CCCNC1=O B039480 [0,1,0,1,0,0|1,0,1]=4 53 B8R1.7 CC(C)C1=NNC=C1 B037623 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.7 CC(N)C1=CC=CS1 B030506 [0,1,0,1,0,0|0,1,1]=4 55 B8R1.8 CCCC1=CC=CS1 B046363 [0,1,0,1,0,0|0,1,1]=4 56 B8R1.8 CNCC1=CC=NN1 B029937 [0,1,0,1,0,0|2,0,0]=4 57 B8R1.8 NCCC1=CC=CO1 B029933 [0,1,0,1,0,0|0,0,2]=4 58 B8R1.8 NCCC1=CC=CO1 B049455 [0,1,0,1,0,0|0,0,2]=4 59 B8R1.11 CCC1=CC=NN1C B037958 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.11 CCN1N=CC=C1Br B060135 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.11 CCN1N=CC=C1C B006759 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.11 CCN1N=CC=C1F B051209 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.11 CCN1N=CC=C1I B051207 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.11 CCN1N=CC=C1N B024267 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.11 CN1N=CC=C1C=O B007393 [0,1,0,1,0,0|2,0,0]=4