0 B11R1.41 C=CCC1=CC=CC=C1C#N 3937-1-X1 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.41 COCC1=CC=CC=C1C=O 2615-1-2U [0,0,0,0,0,0|4,0,0]=4 2 B11R1.41 N#CC1=CC=CC=C1CCN 3637-5-15 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.4 CCSC1=C(O)C=CC=C1 6666-1-1Q [1,0,0,0,0,0|2,0,0]=3 4 B10R1.4 CNCC1=C(O)C=CC=C1 4633-5-06 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.4 FC1=CC=CC=C1C[Mg]Cl 9712-7-07 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.4 [NH3+]OCC1=CC=CC=C1Br 4747-D-12 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.20 COC1=CC=NC=C1C=O 4H15-1-1W [1,0,0,0,0,0|2,0,1]=4 8 B10R1.20 CSC1=CC=CC=C1NN 7666-5-00 [1,0,0,0,0,0|1,1,0]=3 9 B10R1.20 O=CC1=C(CBr)C=CC=C1 2715-9-07 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.75 COC1=CC=CN=C1CC(=O)O 4H21-1-MP [0,1,0,0,0,0|2,0,1]=4 11 B12R1.112 CCOC1=CC=C(O)C=C1OC 2608-1-0T [0,1,0,0,0,0|2,0,0]=3 12 B12R1.112 COC1=CC(F)=CC=C1CCBr 2707-B-48 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.121 COC1=CC=CC=C1\C=C\C=O 2615-1-1F [0,1,0,0,0,0|1,0,2]=4 14 B12R1.121 CSC1=CC=CC=C1OCC#N 8666-1-40 [0,1,0,0,0,0|0,1,2]=4 15 B12R1.169 CCNC1=C(NCC)C=CC=C1 3631-1-0X [0,1,0,0,0,0|3,0,0]=4 16 B12R1.268 CCOC1=CC(O)=CC=C1OC 2608-1-0W [0,1,0,0,0,0|2,0,0]=3 17 B12R1.268 COC1=CC=C(Cl)C=C1CC#N 4637-5-16 [0,1,0,0,0,0|0,0,2]=3 18 B12R2.1 NCC1CNC2=CC=CC=C21 3H30-1-HV [0,0,0,1,0,0|1,0,0]=2 19 B12R2.1 OCC1CCC2=CC=CC=C21 2601-1-12 [0,0,0,1,0,0|2,0,0]=3 20 B12R2.18 CC1=C(N)SC2=CC=CC=C21 8H30-5-00 [0,0,0,1,0,0|2,0,1]=4 21 B12R2.18 N[C@@H]1CC2=CC=CC=C2[C@H]1O 4656-5-1H [0,0,0,1,0,0|2,0,0]=3 22 B12R2.41 C1=CC2=C(C=C1)NCCCN2 3H31-1-59 [0,0,0,1,0,0|3,0,0]=4 23 B12R2.41 C1=NC=C2OCCNCC2=C1 4H44-5-04 [0,0,0,1,0,0|3,0,0]=4 24 B12R2.1081 CC1=NCCC2=C1C=CC=C2 3H32-1-NK [0,0,0,1,0,0|1,0,1]=3 25 B12R2.2048 N#CC1=CC=CC=C1C2CC2 3737-1-00 [0,0,0,1,0,0|3,0,0]=4 26 B12R2.2048 NCC1=CC=CC=C1C2CC2 3730-1-71 [0,0,0,1,0,0|3,0,0]=4 27 B12R2.2048 O=CC1=CC=CC=C1C2CC2 2715-1-34 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.8 NOCC1=CC=CN=C1 4H47-1-62 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.15 CC1=CC=NC=C1CO 4H01-1-AZ [2,0,0,0,0,0|2,0,0]=4 30 B9R1.15 CC1=CC=NN=C1CN 3H30-5-8Z [2,0,0,0,0,0|2,0,0]=4 31 B9R1.15 CC1=NC=CC=C1CCl 3H32-5-E3 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.15 CC1=NC=CC=C1CN 3H30-1-JR [2,0,0,0,0,0|1,0,0]=3 33 B9R1.15 CC1=NC=CC=C1NN 3H39-5-24 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.15 CCC1=CN=CN=C1O 4H56-1-0HW [2,0,0,0,0,0|2,0,0]=4 35 B9R1.15 COC1=C(C)C=NC=C1 4H07-1-4Y [2,0,0,0,0,0|1,0,0]=3 36 B9R1.15 NCC1=CC=NC=C1Br 3H30-9-1R [2,0,0,0,0,0|2,0,0]=4 37 B9R1.15 NCC1=CC=NC=C1Cl 3H30-5-6S [2,0,0,0,0,0|2,0,0]=4 38 B9R1.15 NCC1=NC=CC=C1N 3H30-1-JJ [2,0,0,0,0,0|2,0,0]=4 39 B11R1.13 CC1=CC=CC(CC#N)=C1C 3737-1-0W [1,1,0,0,0,0|0,0,2]=4 40 B11R1.13 CCOC1=C(O)C(F)=CC=C1 2607-3-7Q [1,1,0,0,0,0|2,0,0]=4 41 B11R1.13 NOCC1=C(Cl)C(Cl)=CC=C1 4647-5-0F [1,1,0,0,0,0|2,0,0]=4 42 B11R1.13 NOCC1=C(F)C(Cl)=CC=C1 4H47-7-03 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.17 CCCOC1=CC=CC=C1N 4656-1-5B [1,1,0,0,0,0|2,0,0]=4 44 B11R1.17 CCCOC1=NC=CC=C1O 4H07-1-5N [1,1,0,0,0,0|2,0,0]=4 45 B11R1.17 CCNCC1=C(O)C=CC=C1 4631-1-19 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.17 COCOC1=C(O)C=CC=C1 2608-1-1F [1,1,0,0,0,0|2,0,0]=4 47 B11R1.81 CCOC1=C(C)C=C(Cl)C=C1 2707-5-0G [1,1,0,0,0,0|2,0,0]=4 48 B11R1.81 CCOC1=C(O)C=C(Cl)C=C1 2607-5-1G [1,1,0,0,0,0|2,0,0]=4 49 B11R1.81 CCOC1=C(O)C=C(F)C=C1 2607-3-7R [1,1,0,0,0,0|2,0,0]=4 50 B11R1.81 CCOC1=CC=C(C)C=C1O 2707-1-1V [1,1,0,0,0,0|2,0,0]=4 51 B11R1.81 CCOC1=CC=C(O)C=C1C 2707-1-1G [1,1,0,0,0,0|2,0,0]=4 52 B11R1.81 NNCC1=CC=C(Cl)C=C1Cl 3639-5-14 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.86 NC(=O)CC1=CC=CC=C1I 4648-H-06 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.182 CCOC1=C(O)C=CC(Cl)=C1 2607-5-1L [1,1,0,0,0,0|2,0,0]=4 55 B11R1.182 NOCC1=C(Cl)C=CC(Cl)=C1 4647-5-0D [1,1,0,0,0,0|2,0,0]=4 56 B11R1.222 CC1=CC=CC=C1C(N)CO 4656-1-8W [1,1,0,0,0,0|1,0,0]=3 57 B11R1.222 NC(CO)C1=CC=CC=C1F 4656-3-C9 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.222 NCC(O)C1=CC=CC=C1Br 4656-D-0B [1,1,0,0,0,0|1,0,0]=3 59 B11R1.222 NCC(O)C1=CC=CC=C1F 4656-7-0S [1,1,0,0,0,0|1,0,0]=3 60 B11R1.605 CCOC1=C(O)C=CC=C1F 2607-3-7S [1,1,0,0,0,0|2,0,0]=4 61 B11R1.605 OCCC1=C(Cl)C=CC=C1F 2601-7-0B [1,1,0,0,0,0|2,0,0]=4 62 B11R1.37 C#CC1=C(OC)C=CC(N)=C1 4956-1-0B [1,1,0,0,0,0|0,0,2]=4 63 B11R1.37 C=CC1=C(OC)C=CC(N)=C1 4956-1-0A [1,1,0,0,0,0|0,0,2]=4 64 B11R1.37 COC1=CC(N)=CN=C1OC 4H56-1-XS [1,1,0,0,0,0|2,0,0]=4 65 B11R1.37 COC1=CC=C(O)C=C1C=O 2620-1-59 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.53 CCC1=C(C(N)=O)C=CC=C1 4748-1-0K [1,1,0,0,0,0|1,0,1]=4 67 B11R1.53 CNC1=CC=CC=C1C(C)=O 4631-1-0L [1,1,0,0,0,0|1,0,1]=4 68 B11R1.53 COC1=CC=CC=C1C(C)N 4630-1-1F [1,1,0,0,0,0|0,0,0]=2 69 B11R1.53 COC1=CC=CN=C1C(N)=O 4H48-1-094 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.53 COC1=CC=NC=C1C(C)=O 4H17-1-4A [1,1,0,0,0,0|1,0,1]=4 71 B11R1.53 COC1=NC=CC=C1C(C)O 4H07-1-84 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.53 CSC1=CC=CC=C1C(F)F 5766-3-01 [1,1,0,0,0,0|1,1,0]=4 73 B11R1.53 CSC1=CC=CC=C1C(N)=O 8666-1-29 [1,1,0,0,0,0|0,1,1]=4 74 B11R1.265 COC1=C(Cl)C=CC=C1C#N 4637-5-11 [1,1,0,0,0,0|0,0,2]=4 75 B11R1.265 COC1=CC=CC(F)=C1OC 2608-3-0K [1,1,0,0,0,0|1,0,0]=3 76 B11R1.265 COC1=NC=CC(Cl)=C1OC 4H08-5-0C [1,1,0,0,0,0|2,0,0]=4 77 B13R1.89 COC1=C(C(=O)C(C)Br)C=CC=C1 2617-9-0M [0,2,0,0,0,0|1,0,1]=4 78 B13R1.115 COC1=C(C)C=CC=C1CC(=O)O 2721-1-4C [0,2,0,0,0,0|1,0,1]=4 79 B13R1.380 CC(=O)NC1=CC=CC=C1CCO 4656-1-4U [0,2,0,0,0,0|2,0,0]=4 80 B13R1.2135 COC1=CC=CC(N)=C1OC(F)F 4633-7-09 [0,2,0,0,0,0|2,0,0]=4 81 B13R1.3089 COC1=CC=C(O)C=C1OC(C)C 2608-1-0S [0,2,0,0,0,0|2,0,0]=4 82 B13R1.107 COC1=C(C(=O)CBr)C=CC=C1C 2717-9-0E [0,2,0,0,0,0|1,0,1]=4 83 B13R1.90 COC1=CC=CC=C1OCC(=O)Cl 2616-5-19 [0,2,0,0,0,0|1,0,1]=4 84 B13R1.381 CS(=O)(=O)C1=CC=CC=C1CCN 8663-5-15 [0,2,0,0,0,0|0,1,0]=3 85 B11R1.280 COC1=CC=C(F)C(CN)=C1 4756-7-08 [0,0,1,1,0,0|1,0,1]=4 86 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 3H31-1-S1 [1,0,0,1,0,0|2,0,0]=4 87 B11R2.106 OC1=CC=CC2=C1OCO2 2H01-1-0G [1,0,0,1,0,0|2,0,0]=4 88 B11R2.106 OC1=CC=NC2=C1CCN2 4H01-1-FX [1,0,0,1,0,0|1,0,0]=3 89 B11R2.988 NCC1CC2=CC=CC=C21 3630-1-0F [1,0,0,1,0,0|0,0,0]=2 90 B11R2.1 C=C1CCC2=CC=CC=C12 1700-1-70 [1,0,0,1,0,0|1,0,1]=4 91 B11R2.1 NC1CCC2=CC=CN=C21 3H30-1-VW [1,0,0,1,0,0|2,0,0]=4 92 B11R2.1 NC1COC2=NC=CC=C21 4H30-1-CV [1,0,0,1,0,0|1,0,0]=3 93 B13R2.1613 N#CC1=CC=CC2=C1CCNC2 3H37-1-0Y [0,1,0,1,0,0|2,0,0]=4 94 B13R2.1613 NCC1CCCC2=CC=CC=C21 4H22-1-0D [0,1,0,1,0,0|1,0,0]=3 95 B13R2.162 CN1CCCC2=CC=C(N)C=C21 3H33-5-0M [0,1,0,1,0,0|2,0,0]=4 96 B13R2.162 NC1=CC=CC2=C1CC(O)CC2 4656-1-7W [0,1,0,1,0,0|2,0,0]=4 97 B13R2.162 O=C1NCCC2=CC=C(F)C=C12 4H48-3-93 [0,1,0,1,0,0|2,0,0]=4 98 B13R2.3683 NC1CCC2=CC(F)=CC=C2C1 3H30-3-88 [0,1,0,1,0,0|1,0,0]=3 99 B13R2.3683 N[C@H]1CCC2=CC(F)=CC=C2C1 3730-7-S2 [0,1,0,1,0,0|1,0,0]=3 100 B13R2.3683 N[C@H]1CCC2=CC(F)=CC=C2C1 3H30-3-S3 [0,1,0,1,0,0|1,0,0]=3 101 B13R2.3683 OC1CCC2=CC(F)=CC=C2C1 2701-3-29 [0,1,0,1,0,0|2,0,0]=4 102 B13R2.1 NCCC1=COC2=CC=CC=C12 4H30-1-78 [0,1,0,1,0,0|0,0,1]=3 103 B13R2.45 CN[C@H]1CC2=CC=CC=C2[C@@H]1O 4656-1-0L [0,1,0,1,0,0|2,0,0]=4 104 B13R2.369 NC1CC2=C(C=CC=C2)NC1=O 4H30-5-0G [0,1,0,1,0,0|1,0,1]=4 105 B13R2.155 NC1CSC2=CC=C(F)C=C2C1 7H30-3-09 [0,1,0,1,0,0|0,1,0]=3 106 B13R2.5179 NC1=CC=C2C(=O)NCCC2=C1 4H30-1-7T [0,1,0,1,0,0|2,0,0]=4 107 B13R2.5569 O=[N+]([O-])C1=CC=CC2=C1CCN2 4H54-1-JJ [0,1,0,1,0,0|2,0,0]=4