0 B10R1.21 CCCCNC1=NC=CS1 B029547 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.21 OCCNCC1=CC=CS1 B059672 [0,0,0,0,0,0|2,1,0]=3 2 B9R1.12 CCNCC1=NC=CN1 B059759 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.12 CCNCC1=NC=CS1 B059748 [1,0,0,0,0,0|2,1,0]=4 4 B9R1.12 NCCCN1C=CC=N1 B007325 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.12 OCCCN1C=CC=N1 B023925 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.4 COCCNCC1=NC=CS1 B059673 [0,1,0,0,0,0|2,1,0]=4 7 B11R1.25 CNC(C)CCC1=CC=CO1 B020890 [0,1,0,0,0,0|1,0,0]=2 8 B11R1.27 CCCCNC1=NN(C)C=C1 B056994 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.27 CCCNCC1=NN(C)C=C1 B052973 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.27 CCCOCC1=NN(C)C=C1 B057340 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.172 CC(C)CNCC1=NC=CN1 B059760 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.172 CC(C)CNCC1=NC=CS1 B059749 [0,1,0,0,0,0|2,1,0]=4 13 B11R1.172 CC(O)CNCC1=NC=CS1 B059751 [0,1,0,0,0,0|2,1,0]=4 14 B11R1.172 FC(F)CNCC1=CC=CO1 B039768 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.180 CCCNCC1=CC=NN1C B052950 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.180 CCCOCC1=CC=NN1C B057780 [0,1,0,0,0,0|3,0,0]=4 17 B11R2.2 C1=CN(C2CCCC2)N=C1 B036504 [0,0,0,1,0,0|2,0,0]=3 18 B11R2.2 C1=COC(C2CCCN2)=C1 B037001 [0,0,0,1,0,0|1,0,0]=2 19 B11R2.2 C1=CSC(C2CCCN2)=C1 B037003 [0,0,0,1,0,0|1,1,0]=3 20 B11R2.2 C1=NC=NN1C2CCCC2 B051896 [0,0,0,1,0,0|3,0,0]=4 21 B11R2.106 CC1NCCN2C=CC=C12 B050794 [0,0,0,1,0,0|3,0,0]=4 22 B11R2.385 C1=NC=C(CNC2CC2)S1 B059725 [0,0,0,1,0,0|2,1,0]=4 23 B8R1.8 CCCC1=CC=CS1 B046363 [2,0,0,0,0,0|0,1,0]=3 24 B8R1.8 CCCN1C=CC=N1 B030577 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.8 NCCC1=CC=CO1 B029933 [2,0,0,0,0,0|1,0,0]=3 26 B8R1.8 NCCC1=CC=CO1 B049455 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.16 CCCCN1C=CC(C)=N1 B036123 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.16 CCCCN1C=CC(N)=N1 B024249 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.16 CCNCC1=CC=C(C)O1 B059777 [1,1,0,0,0,0|1,0,0]=3 30 B10R1.16 CCNCC1=CC=C(F)S1 B052764 [1,1,0,0,0,0|1,1,0]=4 31 B10R1.27 CCC(=O)CC1=CC=CO1 B050873 [1,1,0,0,0,0|0,0,1]=3 32 B10R1.29 CCCCC1=CC=NN1C B046355 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.29 CCCCN1N=CC=C1C B036124 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.66 CC(N)CCC1=CC=CO1 B020889 [1,1,0,0,0,0|0,0,0]=2 35 B12R1.8 NCCCNCC1=CC=CC=C1 B035593 [0,1,0,0,0,1|2,0,0]=4 36 B12R1.267 CCCCOC1=C(N)C=CC=C1 B048532 [0,1,0,0,0,1|2,0,0]=4 37 B12R1.7 CCCCCNC1=NN(C)C=C1 B056971 [0,2,0,0,0,0|2,0,0]=4 38 B12R1.7 CCCCNCC1=NN(C)C=C1 B052975 [0,2,0,0,0,0|2,0,0]=4 39 B12R1.7 CCCCOCC1=NN(C)C=C1 B057365 [0,2,0,0,0,0|2,0,0]=4 40 B12R1.7 COCCNCC1=CC=C(F)S1 B052767 [0,2,0,0,0,0|1,1,0]=4 41 B12R1.372 CCCCNCC1=CC=NN1C B052951 [0,2,0,0,0,0|2,0,0]=4 42 B12R1.372 CCCCOCC1=CC=NN1C B057805 [0,2,0,0,0,0|2,0,0]=4 43 B12R1.26 CCC(C)NCC1=CC=C(F)S1 B052766 [0,2,0,0,0,0|1,1,0]=4 44 B12R1.130 CC1=C(CNCC(C)O)SC=C1 B023069 [0,2,0,0,0,0|1,1,0]=4 45 B12R2.2057 C1=CN=C(CNC2CC2)C=C1 B039577 [0,0,0,1,0,1|2,0,0]=4 46 B12R2.10 BrC1=CC=NN1C2CCCC2 B051837 [0,1,0,1,0,0|2,0,0]=4 47 B12R2.10 CC1=CC=NN1C2CCCC2 B036566 [0,1,0,1,0,0|2,0,0]=4 48 B12R2.10 IC1=CC=NN1C2CCCC2 B060695 [0,1,0,1,0,0|2,0,0]=4 49 B12R2.10 NC1=CC=NN1C2CCCC2 B024273 [0,1,0,1,0,0|2,0,0]=4 50 B12R2.98 C1=CN(CC2CCCN2)N=C1 B037478 [0,1,0,1,0,0|2,0,0]=4 51 B12R2.6 BrC1=NN(C2CCCC2)C=C1 B050962 [0,1,0,1,0,0|2,0,0]=4 52 B12R2.6 CC1=NN(C2CCCC2)C=C1 B036748 [0,1,0,1,0,0|2,0,0]=4 53 B12R2.6 CC1=NOC(C2CCCN2)=C1 B037980 [0,1,0,1,0,0|2,0,0]=4 54 B12R2.6 ClC1=CN(C2CCCC2)N=C1 B039699 [0,1,0,1,0,0|2,0,0]=4 55 B12R2.6 IC1=CN(C2CCCC2)N=C1 B047780 [0,1,0,1,0,0|2,0,0]=4 56 B12R2.6 IC1=NN(C2CCCC2)C=C1 B050977 [0,1,0,1,0,0|2,0,0]=4 57 B12R2.6 NC1=CN(C2CCCC2)N=C1 B039271 [0,1,0,1,0,0|2,0,0]=4 58 B12R2.6 NC1=NN(C2CCCC2)C=C1 B024253 [0,1,0,1,0,0|2,0,0]=4 59 B12R2.6 NC1=NN=C(C2CCCC2)O1 B039640 [0,1,0,1,0,0|2,0,0]=4 60 B12R2.2298 CC1=CC=C(CNC2CC2)O1 B059717 [0,1,0,1,0,0|1,0,0]=3 61 B12R2.2298 FC1=CC=C(CNC2CC2)S1 B052450 [0,1,0,1,0,0|1,1,0]=4 62 B12R2.2298 FC1=CC=C(CNC2CC2)S1 B052474 [0,1,0,1,0,0|1,1,0]=4 63 B12R2.466 CN1C=CC=C1CNC2CC2 B037545 [0,1,0,1,0,0|2,0,0]=4