0 B12R1.252 N=C(N)NCCC1=CC=CC=C1 8664-1-28 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.252 O=C(O)COCC1=CC=NC=C1 4H21-5-4S [0,0,0,0,0,0|2,0,0]=2 2 B11R1.28 N#CCOCC1=CC=CC=C1 4637-1-1L [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 OCCCCC1=CC=CC=N1 4H01-1-B5 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.158 O=C(O)CCCC1=CC=CC=C1F 2721-3-1Q [0,1,0,0,0,0|0,0,0]=1 5 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 3632-5-S0 [0,1,0,0,0,0|3,0,0]=4 6 B13R1.513 O=C(O)CCNC1=CC=C(Cl)C=C1 4621-5-00 [0,1,0,0,0,0|1,0,0]=2 7 B13R1.718 COC(=O)N\N=C\C1=CC=CC=C1 4656-1-EB [0,1,0,0,0,0|2,0,1]=4 8 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 4756-1-0G [0,1,0,0,0,0|2,0,1]=4 9 B13R2.72 O=C(O)C1=NOC2=CC=CC=C21 4H58-1-MP [0,0,0,1,0,0|2,0,1]=4 10 B13R2.163 O=C1CCNC2=C(C=CC=C2)N1 4H48-1-03U [0,0,0,1,0,0|2,0,0]=3 11 B13R2.163 O=C1CCNC2=NC=CC=C2N1 4H48-1-WQ [0,0,0,1,0,0|3,0,0]=4 12 B13R2.163 O=C1COCC2=C(C=CC=C2)N1 4H48-1-0A4 [0,0,0,1,0,0|2,0,0]=3 13 B11R1.91 NC(=O)CCC1=CC=CC=N1 4H48-1-VK [0,0,0,0,1,0|2,0,0]=3 14 B11R1.91 NC(=O)CCC1=CC=CN=C1 4H48-1-VL [0,0,0,0,1,0|2,0,0]=3 15 B11R1.91 NC(=O)CCC1=CC=NC=C1 4H48-1-VM [0,0,0,0,1,0|2,0,0]=3 16 B11R1.91 O=C(Cl)CCC1=CC=CN=C1 4H16-5-67 [0,0,0,0,1,0|2,0,0]=3 17 B11R1.91 O=C(Cl)CNC1=CC=CC=C1 4631-5-00 [0,0,0,0,1,0|2,0,0]=3 18 B11R1.91 O=C(O)C#CC1=CC=CC=N1 4H58-1-470 [0,0,0,0,1,0|1,0,2]=4 19 B11R1.91 O=C(O)C#CC1=CC=CN=C1 4H58-1-471 [0,0,0,0,1,0|1,0,2]=4 20 B11R1.172 CC(=O)NCCN1C=CC=C1 4H48-1-01X [0,0,0,0,1,0|3,0,0]=4 21 B10R1.17 CCCCC1=CC=NC=C1 3H32-1-JJ [2,0,0,0,0,0|1,0,1]=4 22 B10R1.17 CCOCC1=CC=CC=C1 2607-1-1V [2,0,0,0,0,0|1,0,1]=4 23 B12R1.1 NCCCCC1=CC=C(F)C=C1 3730-3-46 [1,1,0,0,0,0|1,0,1]=4 24 B12R1.1 OCCCOC1=CC=C(F)C=C1 2621-3-6J [1,1,0,0,0,0|1,0,1]=4 25 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 4656-1-SV [1,1,0,0,0,0|1,0,1]=4 26 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 2607-1-S1 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.28 OCCOCC1=CC=CC(Cl)=C1 2607-5-0X [1,1,0,0,0,0|1,0,1]=4 28 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 4648-1-2U [1,1,0,0,0,0|1,0,1]=4 29 B12R1.267 NCCCCC1=CC=CC=C1F 3730-7-16 [1,1,0,0,0,0|1,0,1]=4 30 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2717-1-1A [0,1,0,0,1,0|1,0,0]=3 31 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 4648-9-0A [0,1,0,0,1,0|2,0,0]=4 32 B12R1.21 CC(=O)NCC1=CC=C(Cl)C=C1 4648-5-2E [0,1,0,0,1,0|2,0,0]=4 33 B12R1.21 CC(=O)NCC1=CC=C(O)C=C1 4648-1-4J [0,1,0,0,1,0|2,0,0]=4 34 B12R1.21 CC(=O)OCC1=CC=C(Cl)C=C1 2623-5-0N [0,1,0,0,1,0|2,0,0]=4 35 B12R1.21 CC(O)CCC1=CC=C(Br)C=C1 2602-9-00 [0,1,0,0,1,0|1,0,1]=4 36 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6661-1-0B [0,1,0,0,1,0|0,0,0]=2 37 B12R1.43 O=C(Cl)C(Br)CC1=CC=CC=C1 2616-D-05 [0,1,0,0,1,0|1,0,0]=3 38 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 2629-1-2Q [0,1,0,0,1,0|0,0,1]=3 39 B12R1.107 CN(CC(=O)O)C1=CC=CC=N1 4H58-1-396 [0,1,0,0,1,0|2,0,0]=4 40 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 4654-1-V5 [0,1,0,0,1,0|1,0,1]=4 41 B12R1.125 CC(=O)SCC1=CC=CC=C1F 6667-3-02 [0,1,0,0,1,0|2,0,0]=4 42 B12R1.125 CC1=CC=CC=C1CCC(=O)Cl 2716-5-0D [0,1,0,0,1,0|1,0,0]=3 43 B12R1.226 CC(=O)OCC1=CC(O)=CC=C1 2629-1-4A [0,1,0,0,1,0|2,0,0]=4 44 B12R1.226 CC(=O)SCC1=CC=CC(F)=C1 6667-3-01 [0,1,0,0,1,0|2,0,0]=4 45 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 4648-9-59 [0,1,0,0,1,0|1,0,0]=3 46 B12R1.226 NC(=O)NCC1=CC(Cl)=CC=C1 4653-5-0D [0,1,0,0,1,0|2,0,0]=4 47 B12R1.226 O=C(O)CSC1=CC=CC(F)=C1 6666-3-24 [0,1,0,0,1,0|1,0,0]=3 48 B14R1.423 O=C(O)CNC(=O)OC1=CC=CC=C1 4656-1-A4 [0,1,0,0,0,1|1,0,1]=4 49 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 4758-1-0X [0,1,0,0,0,1|0,0,0]=2 50 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 4658-1-3W [0,2,0,0,0,0|1,0,1]=4 51 B14R1.163 COC(=O)CN[C@@H](C)C1=CC=CC=C1 4658-1-S10 [0,2,0,0,0,0|1,0,0]=3 52 B14R1.163 COC(=O)CN[C@H](C)C1=CC=CC=C1 4658-1-R10 [0,2,0,0,0,0|1,0,0]=3 53 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O 4658-1-S0P [0,2,0,0,0,0|1,0,1]=4 54 B14R1.678 CC(=O)CCC(=O)C1=CC=C(Cl)C=C1 2617-5-0M [0,2,0,0,0,0|1,0,1]=4 55 B14R1.813 CC(=O)CCS(=O)(=O)C1=CC=CC=C1 6663-1-0B [0,2,0,0,0,0|2,0,0]=4 56 B14R1.1025 COC(=O)CCCC1=CC=CC(F)=C1 2623-3-2M [0,2,0,0,0,0|0,0,0]=2 57 B14R1.698 CN(CC(=O)O)CC1=CC=C(Br)C=C1 4658-9-23 [0,2,0,0,0,0|1,0,0]=3 58 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 4658-1-3V [0,2,0,0,0,0|0,0,0]=2 59 B14R1.756 COC(=O)[C@@H](N)CCC1=CC=CC=C1 4658-1-S1L [0,2,0,0,0,0|0,0,0]=2 60 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 4648-1-6D [0,2,0,0,0,0|2,0,0]=4 61 B12R2.1 OCC1CCC2=CC=CC=C21 2601-1-12 [1,0,0,1,0,0|0,0,1]=3 62 B12R2.2 C1=CC=C(C2CCCO2)C=C1 2H10-1-82 [1,0,0,1,0,0|0,0,1]=3 63 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 3H31-1-SG [1,0,0,1,0,0|2,0,0]=4 64 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 3H31-5-RF [1,0,0,1,0,0|1,0,1]=4 65 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 3H31-1-RF [1,0,0,1,0,0|2,0,0]=4 66 B12R2.1081 CC1=NCCC2=C1C=CC=C2 3H32-1-NK [1,0,0,1,0,0|2,0,0]=4 67 B12R2.1081 O=C1CCCC2=CC=NC=C12 4H17-5-3C [1,0,0,1,0,0|1,0,0]=3 68 B12R2.1081 O=C1CCCC2=CN=CC=C12 4H56-5-BC [1,0,0,1,0,0|1,0,0]=3 69 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 3H31-5-4X [1,0,0,1,0,0|2,0,0]=4 70 B12R2.24 O=C1NCC2=CC=CC=C2O1 4H56-1-06F [0,0,0,1,1,0|1,0,0]=3 71 B12R2.114 O=C1CCCC2=C(C=CS2)N1 8H48-1-0M [0,0,0,1,1,0|2,0,0]=4 72 B12R2.1354 O=C(O)C1CC1C2=CNC=N2 4H21-5-45 [0,0,0,1,1,0|2,0,0]=4 73 B14R2.2 CC(=O)OC1CCC2=C1C=CC=C2 2623-1-4V [0,0,0,1,0,1|1,0,0]=3 74 B14R2.2 CC(=O)OC1CCC2=C1N=CC=C2 4H23-1-KX [0,0,0,1,0,1|2,0,0]=4 75 B14R2.2 O=C(O)CC1CNC2=CC=CC=C21 4H58-1-012 [0,0,0,1,0,1|0,0,0]=2 76 B14R2.19 O=C1CCN(CC2=CC=CC=C2)N1 4H48-1-02T [0,0,0,1,0,1|1,0,0]=3 77 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 2H17-1-1D [0,0,0,1,0,1|1,0,0]=3 78 B14R2.436 O[C@H]1C[C@H](OCC2=CC=CC=C2)C1 2207-1-E0 [0,0,0,1,0,1|1,0,1]=4 79 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 4H48-1-WB [0,1,0,1,0,0|1,0,0]=3 80 B14R2.68 OC1CCC(C2=CC=CC=C2)CC1 2602-1-0B [0,1,0,1,0,0|1,0,1]=4 81 B14R2.9520 O=C(O)C1CC1(F)C2=CC=CC=C2 2621-3-3P [0,1,0,1,0,0|0,0,0]=2 82 B14R2.4476 O=C(O)[C@@H]1CC1C2=CC=CC(Br)=C2 2621-9-R0 [0,1,0,1,0,0|0,0,0]=2 83 B14R2.4476 O=C(O)[C@@H]1C[C@@H]1C2=CC(Br)=CC=C2 2621-9-66 [0,1,0,1,0,0|0,0,0]=2 84 B14R2.781 O=C(O)C1CC2=CC=CC=C2CO1 2H21-1-0U [0,1,0,1,0,0|1,0,0]=3 85 B14R2.28454 O=C1CCCC2=C(C=CC=C2F)N1 4H48-3-7E [0,1,0,1,0,0|1,0,0]=3 86 B14R2.31 O=C1CCC1OCC2=CC=CC=C2 2617-1-0G [0,1,0,1,0,0|2,0,0]=4 87 B14R2.9535 NC1(C(=O)O)CCC2=CC=CC=C21 4657-1-74 [0,1,0,1,0,0|0,0,0]=2 88 B14R2.4402 CC(=O)C1CC1C2=CC=C(Cl)C=C2 2617-5-0L [0,1,0,1,0,0|1,0,0]=3 89 B14R2.4402 CC(=O)C1CC1C2=CC=C(F)C=C2 2617-3-0Q [0,1,0,1,0,0|1,0,0]=3 90 B14R2.4402 CC1=CC=C(C2OC2C(=O)O)C=C1 2721-1-2N [0,1,0,1,0,0|1,0,0]=3 91 B14R2.4402 O=C(O)C1OC1C2=CC=C(Cl)C=C2 2621-5-0D [0,1,0,1,0,0|1,0,0]=3 92 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 2702-1-X0 [0,0,0,0,2,0|1,0,1]=4