0 B14R2.5637 CC1=CC2=C(C=C1)NCCCC2N NO16160 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.5637 O=C1CCCNC2=C1C=C(Cl)C=C2 NO18026 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.3729 BrC1=CC2=C(C=C1)CCNCC2 DY680379 [1,0,0,0,0,0|0,1,0]=2 3 B13R2.3729 ClC1=NC2=C(C=C1)CCNCC2 DY508454 [1,0,0,0,0,0|1,0,0]=2 4 B13R2.3729 NC1=CC2=C(C=C1)CCCNC2 DY670547 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.5252 C=C1CCCCC2=C1C=CC=C2 NO17849 [1,0,0,0,0,0|1,0,2]=4 6 B13R2.5252 NC1CCCOC2=C1C=CC=C2 DY670565 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.5252 N[C@@H]1CCCNC2=C1C=CC=C2 DY546855 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 DY20683 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.9 CCCCCCC1=CC=C(N)C=C1 NO22853 [0,0,1,0,0,0|2,0,0]=3 10 B13R1.9 CCCCCCC1=CC=C(O)C=C1 DY543891 [0,0,1,0,0,0|2,0,0]=3 11 B13R1.9 CCCCCOC1=CC=C(O)C=C1 DY535551 [0,0,1,0,0,0|3,0,0]=4 12 B13R1.9 CCCCNCC1=CC=C(C)C=C1 DY610196 [0,0,1,0,0,0|3,0,0]=4 13 B13R1.9 COCCNCC1=CC=C(Cl)C=C1 DY602002 [0,0,1,0,0,0|3,0,0]=4 14 B13R2.162 CC1=CC=C2OCCC(N)C2=C1 DY535827 [0,0,0,0,1,0|3,0,0]=4 15 B13R2.162 CC1=CC=C2OCC[C@H](N)C2=C1 DY669278 [0,0,0,0,1,0|3,0,0]=4 16 B13R2.162 CC1NCCC2=CC=C(Br)C=C21 DY509222 [0,0,0,0,1,0|0,1,0]=2 17 B13R2.162 CN1CCCC2=CC=C(N)C=C21 NO11790 [0,0,0,0,1,0|2,0,0]=3 18 B13R2.162 NC1=CC=C2CCNC(=O)C2=C1 NO18415 [0,0,0,0,1,0|2,0,1]=4 19 B13R2.162 NC1CCCC2=CC=C(Br)C=C21 NO18492 [0,0,0,0,1,0|1,1,0]=3 20 B13R2.162 NC1CCCC2=CC=C(Cl)C=C21 DY744499 [0,0,0,0,1,0|1,0,0]=2 21 B13R2.162 NC1CCOC2=CC=C(F)C=C21 NO18833 [0,0,0,0,1,0|2,1,0]=4 22 B13R2.162 NC1CCOC2=CC=C(I)C=C21 DY770955 [0,0,0,0,1,0|2,1,0]=4 23 B13R2.162 N[C@H]1CCOC2=CC=C(F)C=C21 NO15090 [0,0,0,0,1,0|2,1,0]=4 24 B13R2.162 O=C1CCCC2=C1N=C(Cl)C=C2 DY516531 [0,0,0,0,1,0|2,0,1]=4 25 B13R2.162 O=C1CCCC2=CC=C(Br)C=C12 NO11321 [0,0,0,0,1,0|1,1,1]=4 26 B13R2.162 O=C1CCCC2=CC=C(F)C=C12 DY445729 [0,0,0,0,1,0|1,1,1]=4 27 B13R2.162 O=C1NCCC2=CC=C(Br)C=C12 NO17663 [0,0,0,0,1,0|1,1,1]=4 28 B13R2.162 O=C1NCCC2=CC=C(F)C=C12 DY718755 [0,0,0,0,1,0|1,1,1]=4 29 B13R2.162 OC1CCCC2=C1C=C(Cl)C=N2 DY674835 [0,0,0,0,1,0|2,0,0]=3 30 B13R2.162 OC1CCOC2=CC=C(I)C=C21 DY679707 [0,0,0,0,1,0|2,1,0]=4 31 B12R1.1 CC1=CC=C(CNCCO)C=C1 DY610490 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.1 CCCCSC1=NC=C(Cl)C=C1 DY715244 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.1 FC1=CC=C(CCCCCl)C=C1 DY559677 [1,0,1,0,0,0|1,1,0]=4 34 B12R1.8 C#CCNCCC1=CC=CC=C1 DY561693 [1,0,1,0,0,0|0,0,2]=4 35 B12R1.8 CCCCCCC1=CC=NC=C1 NO17088 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.8 CCCCCCC1=NC=CC=C1 DY712183 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.8 CCNCCCC1=CC=CC=C1 DY610544 [1,0,1,0,0,0|2,0,0]=4 38 B12R1.17 CNCC(O)C1=CC=CC(O)=C1 DY526923 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.17 CNC[C@H](O)c1cccc(O)c1 DY562101 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.17 NC(CCO)C1=CC(Cl)=CC=C1 NO19263 [1,0,1,0,0,0|2,0,0]=4 41 B12R2.41 C1=CC2=C(C=C1)CNCCC2 NO12567 [2,0,0,0,0,0|2,0,0]=4 42 B12R2.41 C1=CC2=C(C=C1)NCCCC2 NO18041 [2,0,0,0,0,0|2,0,0]=4 43 B12R2.41 C1=CN=C2CCCCCC2=C1 DY568809 [2,0,0,0,0,0|2,0,0]=4 44 B14R1.14 CCCCCCCC1=CC=C(Br)C=C1 DY798027 [0,1,1,0,0,0|1,1,0]=4 45 B14R1.14 CCCCCCCC1=CC=C(N)C=C1 DY794859 [0,1,1,0,0,0|2,0,0]=4 46 B14R1.19 CCCCCC(=O)C1=CC=C(Cl)C=C1 DY445711 [0,1,1,0,0,0|1,0,1]=4 47 B14R1.774 CCCCCCC1=C(O)C=C(O)C=C1 NO13638 [0,1,1,0,0,0|2,0,0]=4 48 B14R2.2400 COC1=CC2=C(C=C1)CCNCC2 NO20986 [1,1,0,0,0,0|1,0,0]=3 49 B14R2.52 CN1CC(N)CCC2=C1C=CC=C2 DY580929 [1,1,0,0,0,0|2,0,0]=4 50 B14R2.279 NC1C(=O)NCCC2=C1C=CC=C2 DY459624 [1,1,0,0,0,0|1,0,1]=4 51 B14R2.142 COC1=CC=C2CCC[C@@H](N)C2=C1 DY765173 [0,1,0,0,1,0|2,0,0]=4 52 B14R2.4536 CC1(C)CCNC2=CC=C(Br)C=C21 DY509864 [0,1,0,0,1,0|1,1,0]=4 53 B14R2.4536 CC1(C)CCNC2=CC=C(Br)C=C21 NO12390 [0,1,0,0,1,0|1,1,0]=4 54 B14R2.8045 CC1=C2CCCC(N)C2=CC(Br)=C1 DY765335 [0,1,0,0,1,0|1,1,0]=4 55 B14R2.8045 NC1CCCC2=C(F)C=C(F)C=C21 DY765341 [0,1,0,0,1,0|1,1,0]=4 56 B14R2.8045 N[C@@H]1CCCC2=C(Cl)C=C(F)C=C21 DY765167 [0,1,0,0,1,0|1,1,0]=4 57 B14R2.8045 N[C@H]1CCCC2=C(Cl)C=C(F)C=C21 DY765197 [0,1,0,0,1,0|1,1,0]=4 58 B14R2.8045 O=C1NCCC2=C(Cl)C=C(Cl)C=C12 DY577425 [0,1,0,0,1,0|1,0,1]=4 59 B14R2.68 ClC1=CC=C(C2CCCCN2)C=C1 DY635395 [0,0,1,1,0,0|2,0,0]=4 60 B14R2.68 ClC1=CC=C(C2CCCOC2)C=C1 DY777640 [0,0,1,1,0,0|1,0,0]=3 61 B14R2.68 ClC1=CC=C(C2CCNCC2)C=C1 NO13064 [0,0,1,1,0,0|2,0,0]=4 62 B14R2.68 ClC1=CC=C(C2CCOCC2)C=C1 DY777388 [0,0,1,1,0,0|2,0,0]=4 63 B14R2.68 ClC1=CC=C(C2CNCCN2)C=C1 DY734407 [0,0,1,1,0,0|1,0,0]=3 64 B14R2.21 ClC1=CC=CC(C2CCNCC2)=C1 NO19567 [0,0,1,1,0,0|2,0,0]=4 65 B14R2.21 NC1=CC(C2CCCCC2)=CC=C1 DY800181 [0,0,1,1,0,0|2,0,0]=4 66 B14R2.4471 FC1(C2=CC(Cl)=CC=C2)CCNC1 DY666966 [0,0,1,1,0,0|1,0,0]=3 67 B14R2.2332 CCC1CCC2=C(C=CC(O)=C2)C1 DY765659 [0,0,1,1,0,0|2,0,0]=4 68 B14R3.2531 C1=CC2=C(C=C1)C3CNCC2C3 DY542949 [1,0,0,1,0,0|0,0,0]=2 69 B12R2.24 BrC1=CC=C2CCCCC2=C1 NO16753 [1,0,0,0,1,0|0,1,0]=3 70 B12R2.24 BrC1=CC=C2CCCNC2=C1 DY784852 [1,0,0,0,1,0|1,1,0]=4 71 B12R2.24 BrC1=CC=C2CCCNC2=C1 NO18621 [1,0,0,0,1,0|1,1,0]=4 72 B12R2.24 BrC1=CC=C2CCNCC2=C1 NO19606 [1,0,0,0,1,0|0,1,0]=3 73 B12R2.24 BrC1=CC=C2CCOCC2=C1 NO16547 [1,0,0,0,1,0|1,1,0]=4 74 B12R2.24 BrC1=CC=C2CNCCC2=C1 NO10618 [1,0,0,0,1,0|0,1,0]=3 75 B12R2.24 BrC1=CC=C2CNCCC2=C1 NO17620 [1,0,0,0,1,0|0,1,0]=3 76 B12R2.24 BrC1=CC=C2COCCC2=C1 DY441107 [1,0,0,0,1,0|1,1,0]=4 77 B12R2.24 BrC1=CC=C2NCCCC2=C1 NO19737 [1,0,0,0,1,0|1,1,0]=4 78 B12R2.24 BrC1=CC=C2OCCCC2=C1 NO19916 [1,0,0,0,1,0|1,1,0]=4 79 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 DY100126 [1,0,0,0,1,0|1,1,0]=4 80 B12R2.24 CC1=CC=C2CCCCC2=C1 NO10746 [1,0,0,0,1,0|1,0,0]=3 81 B12R2.24 CC1=CC=C2CCNCC2=C1 DY553959 [1,0,0,0,1,0|1,0,0]=3 82 B12R2.24 CC1=CC=C2CCNCC2=C1 NO18155 [1,0,0,0,1,0|1,0,0]=3 83 B12R2.24 CC1=CC=C2CNCCC2=C1 DY431469 [1,0,0,0,1,0|1,0,0]=3 84 B12R2.24 ClC1=CC2=C(CCNC2)N=C1 DY674829 [1,0,0,0,1,0|1,0,0]=3 85 B12R2.24 ClC1=CC2=C(CCNC2)N=N1 DY20716 [1,0,0,0,1,0|2,0,0]=4 86 B12R2.24 ClC1=CC2=C(CNCC2)N=N1 DY20767 [1,0,0,0,1,0|2,0,0]=4 87 B12R2.24 ClC1=CC=C2CNCCC2=C1 DY549387 [1,0,0,0,1,0|0,0,0]=2 88 B12R2.24 ClC1=CC=C2NCCCC2=C1 NO14585 [1,0,0,0,1,0|1,0,0]=3 89 B12R2.24 ClC1=CC=C2NCCNC2=C1 DY744199 [1,0,0,0,1,0|2,0,0]=4 90 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 NO16899 [1,0,0,0,1,0|1,0,0]=3 91 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 NO12512 [1,0,0,0,1,0|1,0,0]=3 92 B12R2.24 ClC1=NC2=C(C=N1)CCNC2 DY672625 [1,0,0,0,1,0|2,0,0]=4 93 B12R2.24 FC1=CC=C2CNCCC2=C1 DY572409 [1,0,0,0,1,0|0,1,0]=3 94 B12R2.24 FC1=CC=C2OCCCC2=C1 DY584315 [1,0,0,0,1,0|1,1,0]=4 95 B12R2.24 IC1=CC=C2CCCNC2=C1 DY450838 [1,0,0,0,1,0|1,1,0]=4 96 B12R2.24 NC1=CC2=C(C=C1)CCCC2 DY541887 [1,0,0,0,1,0|1,0,0]=3 97 B12R2.24 NC1=CC2=C(CCNC2)N=C1 DY582183 [1,0,0,0,1,0|2,0,0]=4 98 B12R2.24 NC1=CC=C2CCCNC2=C1 DY526875 [1,0,0,0,1,0|2,0,0]=4 99 B12R2.24 NC1=NC2=C(C=C1)CCCC2 DY521631 [1,0,0,0,1,0|2,0,0]=4 100 B12R2.24 OC1=CC2=C(C=C1)CCCC2 NO13514 [1,0,0,0,1,0|1,0,0]=3 101 B12R2.24 OC1=CC=C2CCCNC2=C1 NO10898 [1,0,0,0,1,0|2,0,0]=4 102 B12R2.24 OC1=CC=C2CCNCC2=C1 NO17696 [1,0,0,0,1,0|1,0,0]=3 103 B12R2.24 OC1=CC=C2CNCCC2=C1 NO18391 [1,0,0,0,1,0|1,0,0]=3 104 B12R2.1081 CC1CCNC2=CC=CC=C21 NO17518 [1,0,0,0,1,0|1,0,0]=3 105 B12R2.1081 CC1CNCC2=CC=CC=C21 NO17240 [1,0,0,0,1,0|0,0,0]=2 106 B12R2.1081 CC1NCCC2=CC=CC=C21 NO12178 [1,0,0,0,1,0|0,0,0]=2 107 B12R2.1081 CC1NCCC2=CC=CC=C21 NO15270 [1,0,0,0,1,0|0,0,0]=2 108 B12R2.1081 CN1CCNC2=CC=CC=C21 DY783466 [1,0,0,0,1,0|2,0,0]=4 109 B12R2.1081 CN1CCNC2=CC=CC=C21 NO19012 [1,0,0,0,1,0|2,0,0]=4 110 B12R2.1081 C[C@@H]1CNCC2=CC=CC=C21 DY550353 [1,0,0,0,1,0|0,0,0]=2 111 B12R2.1081 IC1CCCC2=CC=CC=C21 DY528825 [1,0,0,0,1,0|1,0,0]=3 112 B12R2.1081 NC1CCCC2=C1C=NC=C2 DY677013 [1,0,0,0,1,0|2,0,0]=4 113 B12R2.1081 NC1CCCC2=C1N=CC=C2 DY677043 [1,0,0,0,1,0|2,0,0]=4 114 B12R2.1081 NC1CCOC2=CC=CC=C21 NO18355 [1,0,0,0,1,0|2,0,0]=4 115 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 DY551577 [1,0,0,0,1,0|2,0,0]=4 116 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 NO13980 [1,0,0,0,1,0|1,0,0]=3 117 B12R2.1081 O=C1CCCC2=CC=CC=C12 NO14809 [1,0,0,0,1,0|1,0,1]=4 118 B12R2.1081 O=C1NCCC2=CC=CC=C12 NO17872 [1,0,0,0,1,0|1,0,1]=4 119 B12R2.1081 OC1CCNC2=CC=CC=C21 DY543693 [1,0,0,0,1,0|2,0,0]=4 120 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 DY555243 [1,0,0,0,1,0|2,0,0]=4 121 B12R2.132 NC1CCC2=CC=C(Br)C=C21 DY579057 [0,0,0,0,2,0|1,1,0]=4 122 B12R2.132 NC1CCC2=CC=C(F)C=C21 DY530697 [0,0,0,0,2,0|1,1,0]=4 123 B12R2.132 N[C@@H]1CCC2=CC=C(O)C=C21 DY104168 [0,0,0,0,2,0|2,0,0]=4 124 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 NO13722 [0,0,0,0,2,0|1,0,1]=4 125 B12R2.132 OC1CCC2=CC=C(F)C=C21 DY447461 [0,0,0,0,2,0|1,1,0]=4