0 B10R1.21 C#CCNCC1=CC=CO1 9640AC [0,0,0,0,0,0|1,0,2]=3 1 B10R1.21 CCCCCC1=CC=CO1 4832AB [0,0,0,0,0,0|0,0,0]=0 2 B10R1.21 CCCCCC1=CSC=C1 Z5434 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.21 CCNCCN1C=CC=N1 7261AJ [0,0,0,0,0,0|3,0,0]=3 4 B10R1.21 O=C=NCCC1=CC=CS1 6123AE [0,0,0,0,0,0|2,1,1]=4 5 B9R1.12 CCCCC1=CC=CS1 Z5462 [1,0,0,0,0,0|0,1,0]=2 6 B9R1.12 CCCCN1C=CC=N1 Z0656 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.12 CCNCC1=CC=CS1 V6759 [1,0,0,0,0,0|1,1,0]=3 8 B9R1.12 CCOCC1=CC=CO1 Z4965 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.12 OCCCC1=CC=CS1 X0200 [1,0,0,0,0,0|1,1,0]=3 10 B9R1.12 OCCCC1=CSC=C1 5648AJ [1,0,0,0,0,0|3,0,0]=4 11 B9R1.12 OCCCN1C=CC=N1 6058AD [1,0,0,0,0,0|3,0,0]=4 12 B11R1.4 CCCCNCC1=CC=CS1 V6794 [0,1,0,0,0,0|0,1,0]=2 13 B11R1.4 N#CCCNCC1=CC=CO1 Y9802 [0,1,0,0,0,0|1,0,1]=3 14 B11R1.25 CCC(=S)OCC1=CC=CO1 M513 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.25 COC(=O)CCC1=CC=CN1 W7965 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.29 CCCOC(=O)C1=CC=CO1 5636AL [0,1,0,0,0,0|1,0,1]=3 17 B11R1.29 CNCCC(=O)C1=CC=CS1 Z2651 [0,1,0,0,0,0|1,1,1]=4 18 B11R1.180 CCCCCC1=CCCC1=O 5777AL [0,1,0,0,0,0|1,0,2]=4 19 B9R0.5 C=COC(=O)CCCCC 7945AF [0,0,1,0,0,0|1,0,0]=2 20 B9R0.45 CCCCCC\C=C/CO 7426AL [0,0,1,0,0,0|0,0,2]=3 21 B9R0.45 CCCCC\C=C/CCO 7441AL [0,0,1,0,0,0|0,0,2]=3 22 B11R2.2 C1=COC(C2OCCO2)=C1 4973AL [0,0,0,1,0,0|2,0,0]=3 23 B11R2.2 C1=CSC(C2OCCO2)=C1 4996AL [0,0,0,1,0,0|2,1,0]=4 24 B11R2.106 CC1NCCC2=C1C=CS2 3322AF [0,0,0,1,0,0|1,1,0]=3 25 B11R2.106 O=C1CCCC2=C1C=CO2 8579AA [0,0,0,1,0,0|1,0,1]=3 26 B11R1.28 CCCC#CC1=CC=CC=C1 4951AL [0,0,0,0,0,1|1,0,2]=4 27 B11R1.28 CCCCCC1=CC=NC=C1 3027AB [0,0,0,0,0,1|1,0,0]=2 28 B11R1.28 CCCCCC1=NC=CC=C1 S154 [0,0,0,0,0,1|1,0,0]=2 29 B11R1.28 CNCCOC1=CC=CC=C1 0730AF [0,0,0,0,0,1|3,0,0]=4 30 B11R1.28 ClCCCCC1=CC=CC=C1 4817AL [0,0,0,0,0,1|2,0,0]=3 31 B11R1.28 ClCCCCC1=CC=NC=C1 7448AA [0,0,0,0,0,1|2,0,0]=3 32 B11R1.28 NCCCCC1=CC=CC=C1 9681AD [0,0,0,0,0,1|2,0,0]=3 33 B11R1.28 O=CCCCC1=CC=CC=C1 6150AD [0,0,0,0,0,1|2,0,1]=4 34 B11R1.28 OCCCNC1=CC=CC=C1 5828AL [0,0,0,0,0,1|3,0,0]=4 35 B8R0.4 CCCC\C=C/CCO 7442AL [1,0,1,0,0,0|0,0,2]=4 36 B8R0.4 CCC\C=C\C=C\CO Z4325 [1,0,1,0,0,0|0,0,2]=4 37 B8R1.8 CCCC1=NC=CS1 9241AA [2,0,0,0,0,0|1,1,0]=4 38 B8R1.8 CCCN1C=CC=N1 Z0507 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.8 CNCC1=CC=CS1 V7562 [2,0,0,0,0,0|1,1,0]=4 40 B8R1.8 CNCC1=CC=CS1 W7142 [2,0,0,0,0,0|1,1,0]=4 41 B8R1.8 CSCC1=CC=CO1 9711AJ [2,0,0,0,0,0|1,0,0]=3 42 B10R0.4 CCCCCC\C=C\C(C)=O 2414AL [0,1,1,0,0,0|0,0,2]=4 43 B10R0.71 CCCCC\C=C/CCCO 7446AL [0,1,1,0,0,0|0,0,2]=4 44 B10R1.11 CCCC(=O)C1=CC=CS1 Z5535 [1,1,0,0,0,0|0,1,1]=4 45 B10R1.16 CC1=CC=C(CCC=O)O1 4225AB [1,1,0,0,0,0|1,0,1]=4 46 B10R1.16 CCCCC1=NC=C(Cl)N1 4990AD [1,1,0,0,0,0|2,0,0]=4 47 B10R1.16 CCCCN1C=C(Br)C=N1 Z1181 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.16 CCCCN1C=C(I)C=N1 V9144 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.66 CC(=O)SCC1=CC=CO1 M900 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.1 CCCCCC1=CC=C(Cl)C=C1 9802AE [0,1,0,0,0,1|1,0,0]=3 51 B12R1.1 CCCCCC1=CC=C(I)C=C1 0657AF [0,1,0,0,0,1|1,0,0]=3 52 B12R1.8 CCCCCCC1=NC=CC=C1 2237AA [0,1,0,0,0,1|1,0,0]=3 53 B12R1.8 CCCCCC[N+]1=CC=CC=C1 4881AL [0,1,0,0,0,1|2,0,0]=4 54 B12R1.8 CCCCCNC1=CC=CC=C1 8652AL [0,1,0,0,0,1|1,0,0]=3 55 B12R1.8 CCCCOCC1=CC=CC=C1 7140AL [0,1,0,0,0,1|1,0,0]=3 56 B12R1.8 ClCCCCCC1=CC=CC=C1 4694AH [0,1,0,0,0,1|1,0,0]=3 57 B12R1.8 ClCCCOCC1=CC=CC=C1 2353AB [0,1,0,0,0,1|2,0,0]=4 58 B12R1.8 OCCCNCC1=CC=CC=C1 6427AB [0,1,0,0,0,1|2,0,0]=4 59 B12R1.28 CCCCCC1=CC=CC(=O)O1 6874AL [0,1,0,0,0,1|0,0,0]=2 60 B12R1.28 CCCCOC1=CC=CC(Br)=N1 Z7251 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.30 CCCCC(=O)C1=NC=CC=C1 V7440 [0,1,0,0,0,1|1,0,1]=4 62 B12R1.30 CCCCC(O)C1=CC=CC=C1 8631AB [0,1,0,0,0,1|1,0,0]=3 63 B12R1.30 CCCCN(N)C1=CC=CC=C1 4924AL [0,1,0,0,0,1|2,0,0]=4 64 B12R1.30 CCCNC(C)C1=CC=CC=C1 4612AD [0,1,0,0,0,1|2,0,0]=4 65 B12R1.32 CCCC(=O)CC1=CC=CC=C1 U242 [0,1,0,0,0,1|1,0,1]=4 66 B12R1.252 CC(C)CNCC1=CC=CC=C1 3705AL [0,1,0,0,0,1|2,0,0]=4 67 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 X5394 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.267 CCCCCC1=C(Br)C=NC=N1 V9537 [0,1,0,0,0,1|1,0,0]=3 69 B12R1.267 CCCCOC1=CC=CC=C1Br Z0681 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.37 CCCCCCCC1=CC=CO1 Z5515 [0,2,0,0,0,0|0,0,0]=2 71 B12R1.37 CCCCCCCC1=CSC=C1 9953AB [0,2,0,0,0,0|2,0,0]=4 72 B12R1.372 CCCCCCC1=C(Cl)SC=C1 5563AL [0,2,0,0,0,0|2,0,0]=4 73 B12R1.29 CCCNC(=O)C1=CC=C(Br)O1 5327AE [0,2,0,0,0,0|1,0,1]=4 74 B12R1.54 CN(C)CCC(O)C1=CC=CS1 X9945 [0,2,0,0,0,0|1,1,0]=4 75 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 4422AH [0,2,0,0,0,0|1,0,1]=4 76 B10R2.7 C1=C2CCCCC2=CN1 7214AB [1,0,0,1,0,0|2,0,0]=4 77 B10R2.7 C1=CC2=C(CCCC2)S1 3659AD [1,0,0,1,0,0|0,1,0]=3 78 B10R2.7 C1=CC2=C(CNCC2)S1 W5142 [1,0,0,1,0,0|1,1,0]=4 79 B10R2.7 C1=CN2CCCCC2=N1 4077AB [1,0,0,1,0,0|2,0,0]=4 80 B10R2.7 C1=CN2CCNCC2=C1 1057AC [1,0,0,1,0,0|2,0,0]=4 81 B10R2.7 C1=NNC2=C1CCCC2 V3915 [1,0,0,1,0,0|2,0,0]=4 82 B10R2.7 C1=NNC2=C1CCCC2 V4540 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.2 C1=CC=C(C2CCNC2)N=C1 7524AA [0,0,0,1,0,1|2,0,0]=4 84 B12R2.2 C1=CN=C(C2CCCN2)C=C1 2691AD [0,0,0,1,0,1|2,0,0]=4 85 B12R2.41 C1=CC2=C(C=C1)CCNCC2 6095AB [0,0,0,1,0,1|2,0,0]=4 86 B12R2.41 C1=CC=C2CNCCCC2=C1 W3871 [0,0,0,1,0,1|2,0,0]=4 87 B12R2.1081 CC1CCNC2=C1C=CC=C2 0022AB [0,0,0,1,0,1|2,0,0]=4 88 B12R2.1081 CC1CCNC2=C1C=CC=C2 Z5091 [0,0,0,1,0,1|2,0,0]=4 89 B12R2.1081 CC1NCCC2=C1C=CC=C2 X8977 [0,0,0,1,0,1|2,0,0]=4 90 B12R2.1081 CN1CCCC2=C1C=CC=C2 6666AB [0,0,0,1,0,1|2,0,0]=4 91 B12R2.1081 NC1CCCC2=CC=CN=C21 3020AJ [0,0,0,1,0,1|2,0,0]=4 92 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 B573 [0,0,0,1,0,1|2,0,0]=4 93 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 V1329 [0,0,0,1,0,1|2,0,0]=4 94 B12R2.6 IC1=CN(C2CCCC2)N=C1 Z8091 [0,1,0,1,0,0|2,0,0]=4 95 B12R2.586 BrC1=CN=C2CCCCCN12 V7376 [0,1,0,1,0,0|2,0,0]=4