0 B12R1.8 BrCCCCCC1=CC=CC=C1 1700-9-09 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.8 BrCCCOCC1=CC=CC=C1 2707-9-13 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.8 C=CCCNCC1=CC=CC=C1 3931-1-X1 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.8 CNCCCCC1=CC=CC=C1 3632-5-X2 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.8 N#CCCNCC1=CC=CN=C1 3H37-1-V6 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.8 S=C=NCCCC1=CC=CC=C1 7768-1-41 [0,0,0,0,0,0|1,1,1]=3 6 B11R1.28 BrCCCCC1=CC=CC=C1 1700-9-Z4 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.28 C#CCCCC1=CC=CC=C1 1900-1-Y0 [1,0,0,0,0,0|0,0,2]=3 8 B11R1.28 CCCCNC1=CC=CC=C1 3631-1-X4 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.28 ClCCNCC1=CC=CC=C1 3731-5-X5 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.28 NCCOCC1=CC=CC=C1 4756-5-X8 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.28 O=C=NCCC1=CC=CC=C1 4649-1-X7 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.28 OCCCCC1=CC=CC=C1 2701-1-00 [1,0,0,0,0,0|0,0,0]=1 13 B11R1.28 OCCNCC1=CC=CC=C1 4656-1-71 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.28 S=C=NCCC1=CC=CC=C1 7768-1-37 [1,0,0,0,0,0|1,1,1]=4 15 B13R1.9 CCCCCCC1=CC=C(Br)C=C1 1700-9-X3 [0,1,0,0,0,0|1,0,0]=2 16 B13R1.9 CCCCCCC1=CC=C(N)C=C1 3730-1-Z6 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.28 BrCCCCCCC1=CC=CC=C1 1700-9-Z3 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.28 S=C=NCCCCC1=CC=CC=C1 7768-1-X3 [0,1,0,0,0,0|0,1,1]=3 19 B13R1.44 O=C(CCCCl)NC1=CC=CC=C1 4648-5-75 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.337 NC(=S)NCCCC1=CC=CC=C1 7767-1-32 [0,1,0,0,0,0|1,1,1]=4 21 B13R1.555 CCCCCCC1=NC=NC=C1Br 3H32-9-W3 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.718 CC(CO)COCC1=CC=CC=C1 2707-1-09 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.718 OCC(O)COCC1=CC=CC=C1 2707-1-16 [0,1,0,0,0,0|1,0,0]=2 24 B13R2.1 OCCC1=CNC2=CC=CC=C12 4H01-1-X6 [0,0,0,1,0,0|1,0,2]=4 25 B13R2.3 C1=CC(C2CCNCC2)=CC=N1 3H31-1-Z8 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 1700-1-X5 [0,0,0,1,0,0|1,0,0]=2 27 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 P612-A-34 [0,0,0,1,0,0|1,0,0]=2 28 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 3H31-1-Y5 [0,0,0,1,0,0|2,0,0]=3 29 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 3631-1-X2 [0,0,0,1,0,0|2,0,0]=3 30 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 3H31-1-T6 [0,0,0,1,0,0|2,0,0]=3 31 B13R2.3 C1=CC=C(C2COCCN2)C=C1 4H56-1-DR [0,0,0,1,0,0|2,0,0]=3 32 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 3H31-1-SA [0,0,0,1,0,0|1,0,0]=2 33 B13R2.3 C1=CN=CC(C2CNCCN2)=C1 3H31-5-Y5 [0,0,0,1,0,0|3,0,0]=4 34 B13R2.64 C1=CN=CC(CC2CCNC2)=C1 3H56-1-X0 [0,0,0,1,0,0|3,0,0]=4 35 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 2609-1-S0 [0,0,0,1,0,0|1,0,0]=2 36 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 2609-1-R0 [0,0,0,1,0,0|1,0,0]=2 37 B13R2.2383 C1=CC=C(CNC2CCC2)C=C1 3732-5-01 [0,0,0,1,0,0|2,0,0]=3 38 B13R2.5252 O=C1CCCNC2=CC=CC=C12 4H56-1-323 [0,0,0,1,0,0|1,0,2]=4 39 B10R1.17 BrCCCC1=CC=CC=C1 1700-9-Z5 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.17 BrCCOC1=CC=CC=C1 2607-9-X6 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.17 CCNCC1=CC=CC=C1 3731-1-04 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.17 CCNCC1=CC=CC=N1 3H31-1-3M [2,0,0,0,0,0|2,0,0]=4 43 B10R1.17 CNCCC1=CC=CC=N1 3H31-1-Q6 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.17 COCSC1=CC=CC=C1 6666-1-0Q [2,0,0,0,0,0|2,0,0]=4 45 B10R1.17 ClCCSC1=CC=CC=C1 5666-5-04 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.17 NCCCC1=CC=CC=C1 3H30-1-H6 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.17 NCCOC1=CC=CC=C1 4656-1-Y0 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.17 OCC#CC1=CC=CC=C1 2901-1-02 [2,0,0,0,0,0|0,0,2]=4 49 B10R1.17 OCCCC1=CC=CC=N1 4H56-1-LM [2,0,0,0,0,0|1,0,0]=3 50 B10R1.17 OCCNC1=CC=CC=N1 4H56-1-FB [2,0,0,0,0,0|2,0,0]=4 51 B10R1.17 OCCNC1=CC=CC=N1 4H56-5-20 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.17 OCCNC1=CC=NC=C1 4H56-1-DX [2,0,0,0,0,0|2,0,0]=4 53 B10R1.17 OCCOC1=CC=CC=C1 2607-1-06 [2,0,0,0,0,0|1,0,0]=3 54 B12R1.1 BrCCCOC1=CC=C(Br)C=C1 2607-9-25 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.1 CCCCCC1=CC=C(Br)C=C1 1700-9-W7 [1,1,0,0,0,0|0,0,0]=2 56 B12R1.1 CCCCCC1=CC=C(Cl)C=C1 1700-5-57 [1,1,0,0,0,0|0,0,0]=2 57 B12R1.1 CCCCCC1=CC=C(F)C=C1 1700-3-45 [1,1,0,0,0,0|0,0,0]=2 58 B12R1.1 CCCCCC1=CC=C(I)C=C1 1700-H-04 [1,1,0,0,0,0|0,0,0]=2 59 B12R1.1 CCCCOC1=CC=C(N)C=C1 4630-1-08 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.1 COCCOC1=CC=C(O)C=C1 2608-1-0V [1,1,0,0,0,0|2,0,0]=4 61 B12R1.1 NCCSCC1=CC=C(F)C=C1 7666-3-02 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.1 NCCSCC1=CC=C(F)C=C1 7666-7-01 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.27 CC(CO)NCC1=CC=CC=C1 4656-1-AA [1,1,0,0,0,0|1,0,0]=3 64 B12R1.27 COC(=O)CCC1=CC=CC=C1 2723-1-38 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.28 CC1=CC=CC(CSCCN)=C1 7766-5-03 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.28 NCCSCC1=CC=CC(Cl)=C1 7766-5-02 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.30 CCCCC(=O)C1=CC=CC=C1 2617-1-15 [1,1,0,0,0,0|0,0,1]=3 68 B12R1.32 CCOC(=O)CC1=CC=CC=C1 2723-1-01 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.32 CN(CCN)CC1=CC=CC=C1 3732-1-03 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 2607-1-S4 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.252 O=C(O)CCCC1=CC=CC=C1 2621-1-X9 [1,1,0,0,0,0|0,0,1]=3 72 B12R1.252 O=C(O)CCCC1=CC=NC=C1 4H21-5-13 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.252 O=C(O)CCOC1=CC=CC=C1 2621-1-Z8 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.252 O=C(O)COCC1=CC=CC=C1 2721-1-97 [1,1,0,0,0,0|1,0,1]=4 75 B12R1.267 CCCCCC1=NC=NC=C1Br 3H32-9-Z8 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.267 NCCSCC1=CC=CC=C1Cl 7766-1-X0 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.37 CCCCCCCC1=CC=CO1 2H10-1-15 [0,1,0,0,1,0|2,0,0]=4 78 B14R1.14 CCCCCCCC1=CC=C(Br)C=C1 1700-9-32 [0,2,0,0,0,0|1,0,0]=3 79 B14R1.14 CCCCCCCC1=CC=C(N)C=C1 3730-1-57 [0,2,0,0,0,0|1,0,0]=3 80 B14R1.14 CCCCCCOC1=CC=C(Br)C=C1 2607-9-10 [0,2,0,0,0,0|1,0,0]=3 81 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 2721-3-Y3 [0,2,0,0,0,0|0,0,1]=3 82 B14R1.677 O=C(O)CCCOC1=CC=C(F)C=C1 2621-3-2Z [0,2,0,0,0,0|1,0,1]=4 83 B14R1.776 CCCCCCC1=CC=C(NN)C=C1 3739-5-X8 [0,2,0,0,0,0|1,0,0]=3 84 B14R1.776 COC1=CC=C(OCCCCBr)C=C1 2608-9-05 [0,2,0,0,0,0|2,0,0]=4 85 B14R1.123 BrCCCCCCCC1=CC=CC=C1 1700-9-13 [0,2,0,0,0,0|1,0,0]=3 86 B14R1.158 CN(CCCCN)CC1=CC=CC=C1 3732-1-02 [0,2,0,0,0,0|1,0,0]=3 87 B14R1.422 O=C(O)CSCCOC1=CC=CC=C1 6666-1-20 [0,2,0,0,0,0|1,0,1]=4 88 B14R1.159 O=C(O)CCCOC1=CC=CC=C1F 2621-3-2X [0,2,0,0,0,0|1,0,1]=4 89 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O 4757-1-01 [0,2,0,0,0,0|1,0,1]=4 90 B14R1.476 COC1=CC=CC=C1OCCCCBr 2608-9-03 [0,2,0,0,0,0|2,0,0]=4 91 B12R2.1 O\N=C1\CCC2=CC=CC=C21 4747-1-X2 [1,0,0,1,0,0|1,0,1]=4 92 B12R2.2 C1=CC(C2CCCN2)=CC=N1 3H31-1-XE [1,0,0,1,0,0|2,0,0]=4 93 B12R2.2 C1=CC(N2CCCC2)=CC=N1 3H32-1-U9 [1,0,0,1,0,0|2,0,0]=4 94 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P911-A-43 [1,0,0,1,0,0|1,0,0]=3 95 B12R2.2 C1=CC=C(C2CCCN2)N=C1 3H32-1-Q0 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.2 C1=CC=C(C2NCCS2)C=C1 7H70-1-Y2 [1,0,0,1,0,0|1,1,0]=4 97 B12R2.2 C1=CN=CC(C2CCCN2)=C1 3H31-1-Z4 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.41 C1=CC=C2NCCNCC2=C1 3H31-1-14 [1,0,0,1,0,0|2,0,0]=4 99 B12R2.1081 NC1CCOC2=CC=CC=C21 4H30-1-9B [1,0,0,1,0,0|2,0,0]=4 100 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 3730-1-S1 [1,0,0,1,0,0|1,0,0]=3 101 B12R2.1081 O=C1CCCC2=C1C=CC=C2 2717-1-03 [1,0,0,1,0,0|0,0,2]=4 102 B12R2.1081 OC1CCCC2=C1N=CC=C2 4H01-1-CP [1,0,0,1,0,0|1,0,0]=3 103 B12R2.1081 OC1CCCC2=CC=CC=C21 2702-1-00 [1,0,0,1,0,0|0,0,0]=2 104 B12R2.1081 OC1CCOC2=CC=CC=C21 2H02-1-07 [1,0,0,1,0,0|1,0,0]=3 105 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 3731-1-03 [1,0,0,1,0,0|1,0,0]=3 106 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 4H56-1-MQ [1,0,0,1,0,0|2,0,0]=4 107 B14R2.21 BrC1=CC=CC(N2CCCCC2)=C1 3H32-9-FT [0,1,0,1,0,0|2,0,0]=4 108 B14R2.21 CN1CCNC(C2=CC=CC=C2)C1 3H32-1-L0 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.68 BrC1=CC=C(N2CCCCC2)C=C1 3H32-9-T7 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.68 NC1=CC=C(N2CCCCC2)C=C1 3H30-1-D0 [0,1,0,1,0,0|2,0,0]=4 111 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 2717-1-Z3 [0,1,0,1,0,0|1,0,1]=4 112 B14R2.68 OC1=CC=C(C2CCCCC2)C=C1 2701-1-X8 [0,1,0,1,0,0|1,0,0]=3 113 B14R2.68 OC1=CC=C(C2CCNCC2)C=C1 4H01-5-0F [0,1,0,1,0,0|2,0,0]=4 114 B14R2.72 ClC1=CC=C(CC2CCNC2)C=C1 4H21-5-72 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.5540 OC1(C2=CC=CC=C2)CCCNC1 4H01-1-44 [0,1,0,1,0,0|2,0,0]=4 116 B14R2.6 C1=CC=C(CC2CCNCC2)C=C1 3H31-1-U7 [0,1,0,1,0,0|1,0,0]=3 117 B14R2.6 C1=CC=C(NC2CCCCC2)C=C1 3631-1-X3 [0,1,0,1,0,0|1,0,0]=3 118 B14R2.6 C1=CC=C(OC2CCNCC2)C=C1 4H56-1-7P [0,1,0,1,0,0|2,0,0]=4 119 B14R2.24 BrC1=CC=CC=C1N2CCCCC2 3H32-9-FU [0,1,0,1,0,0|2,0,0]=4 120 B14R2.24 NC1=C(N2CCCCC2)C=CC=C1 3H30-1-B5 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.101 C1=CC=C(COC2CCNC2)C=C1 4H07-1-X0 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.19 N[C@@H]1CCN(CC2=CC=CC=C2)C1 3H30-1-A7 [0,1,0,1,0,0|2,0,0]=4