0 B14R2.5637 C[C@H]1CNCCC2=CC=C(Cl)C=C21 10453 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.9 CCCCCOC1=CC=C(Br)C=C1 Q67253 [0,0,1,0,0,0|2,1,0]=4 2 B13R1.9 CCCCNCC1=CC=C(Br)C=C1 P37132 [0,0,1,0,0,0|2,1,0]=4 3 B13R1.9 CCCCNCC1=CC=C(C)C=C1 P40822 [0,0,1,0,0,0|3,0,0]=4 4 B13R1.9 CCCCNCC1=CC=C(Cl)C=C1 P40821 [0,0,1,0,0,0|2,0,0]=3 5 B13R1.9 CCCCNCC1=CC=C(F)C=C1 P37135 [0,0,1,0,0,0|2,1,0]=4 6 B13R1.9 CNCCCCC1=CC=C(Cl)C=C1 P38543 [0,0,1,0,0,0|2,0,0]=3 7 B13R1.9 CNCCCCC1=CC=C(F)C=C1 P38542 [0,0,1,0,0,0|2,1,0]=4 8 B13R1.9 OCCCCOC1=CC=C(Cl)C=C1 P37479 [0,0,1,0,0,0|3,0,0]=4 9 B13R2.162 CC1CNCC2=CC=C(Br)C=C21 P50221 [0,0,0,0,1,0|0,1,0]=2 10 B13R2.162 NC1=CC2=C(C=C1)CCCC2=O O30831 [0,0,0,0,1,0|2,0,1]=4 11 B13R2.162 O=C1CCCC2=C1C=C(Cl)C=C2 Q65484 [0,0,0,0,1,0|1,0,1]=3 12 B13R2.162 O=C1CCCC2=C1C=C(O)C=C2 M15803 [0,0,0,0,1,0|2,0,1]=4 13 B12R1.1 BrC1=CC=C(CCCCI)C=C1 M23180 [1,0,1,0,0,0|1,1,0]=4 14 B12R1.1 BrCCCCC1=CC=C(Br)C=C1 P35349 [1,0,1,0,0,0|1,1,0]=4 15 B12R1.1 CC1=CC=C(CCCCBr)C=C1 P34730 [1,0,1,0,0,0|2,0,0]=4 16 B12R1.1 CC1=CC=C(CCCCI)C=C1 M23181 [1,0,1,0,0,0|2,0,0]=4 17 B12R1.1 CC1=CC=C(CCCCN)C=C1 P40979 [1,0,1,0,0,0|2,0,0]=4 18 B12R1.1 CC1=CC=C(CCCCO)C=C1 P37587 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.1 CC1=CC=C(CNCCO)C=C1 P38262 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.1 CCCNCC1=CC=C(Br)C=C1 P41052 [1,0,1,0,0,0|0,1,0]=3 21 B12R1.1 CCCNCC1=CC=C(C)C=C1 P38355 [1,0,1,0,0,0|1,0,0]=3 22 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 P37471 [1,0,1,0,0,0|0,0,0]=2 23 B12R1.1 CCCNCC1=CC=C(F)C=C1 P36342 [1,0,1,0,0,0|0,1,0]=3 24 B12R1.1 CNCCCC1=CC=C(Br)C=C1 P35409 [1,0,1,0,0,0|1,1,0]=4 25 B12R1.1 CNCCCC1=CC=C(F)C=C1 P37997 [1,0,1,0,0,0|1,1,0]=4 26 B12R1.1 ClC1=CC=C(CCCCBr)C=C1 M22750 [1,0,1,0,0,0|1,0,0]=3 27 B12R1.1 ClC1=CC=C(CCCCI)C=C1 M22752 [1,0,1,0,0,0|1,0,0]=3 28 B12R1.1 ClC1=CC=C(OCCCBr)C=C1 P39095 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.1 FC1=CC=C(CCCCBr)C=C1 M22793 [1,0,1,0,0,0|1,1,0]=4 30 B12R1.1 FC1=CC=C(CCCCI)C=C1 M22744 [1,0,1,0,0,0|1,1,0]=4 31 B12R1.1 NCCCCC1=CC=C(Br)C=C1 P42241 [1,0,1,0,0,0|1,1,0]=4 32 B12R1.1 NCCCCC1=CC=C(F)C=C1 P41110 [1,0,1,0,0,0|1,1,0]=4 33 B12R1.1 NCCCCC1=CC=C(I)C=C1 P41122 [1,0,1,0,0,0|1,1,0]=4 34 B12R1.1 NCCCCC1=CC=C(O)C=C1 P39592 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.1 OCCCCC1=CC=C(Br)C=C1 P36218 [1,0,1,0,0,0|1,1,0]=4 36 B12R1.1 OCCCCC1=CC=C(Cl)C=C1 P40038 [1,0,1,0,0,0|1,0,0]=3 37 B12R1.1 OCCCCC1=CC=C(F)C=C1 P38247 [1,0,1,0,0,0|1,1,0]=4 38 B12R1.1 OCCNCC1=CC=C(Br)C=C1 P36123 [1,0,1,0,0,0|1,1,0]=4 39 B12R1.1 OCCNCC1=CC=C(Cl)C=C1 P38261 [1,0,1,0,0,0|1,0,0]=3 40 B12R1.1 OCCNCC1=CC=C(F)C=C1 P39606 [1,0,1,0,0,0|1,1,0]=4 41 B12R1.8 NCCCCCC1=CC=CC=C1 P40466 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.8 OCCOCCC1=CC=CC=C1 P36349 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.17 CCCC(=O)C1=CC=CC(Cl)=C1 P39716 [1,0,1,0,0,0|1,0,1]=4 44 B12R1.17 NC(CCO)C1=CC=CC(Cl)=C1 O30501 [1,0,1,0,0,0|2,0,0]=4 45 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 P42271 [1,0,1,0,0,0|2,0,0]=4 46 B12R1.17 N[C@H](CCO)C1=CC=CC(Cl)=C1 P42256 [1,0,1,0,0,0|2,0,0]=4 47 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 Q69139 [1,0,1,0,0,0|2,0,0]=4 48 B12R1.28 CCCNCC1=CC=CC(Cl)=C1 P38354 [1,0,1,0,0,0|2,0,0]=4 49 B12R1.28 ClC1=CC(CCCCBr)=CC=C1 M22733 [1,0,1,0,0,0|2,0,0]=4 50 B12R1.28 NCCCCC1=CC=CC(Cl)=C1 P40368 [1,0,1,0,0,0|2,0,0]=4 51 B12R1.28 OCCCCC1=CC=CC(Cl)=C1 P36219 [1,0,1,0,0,0|2,0,0]=4 52 B12R1.69 CNCCC1=CC=C(Cl)C=C1Cl P36311 [1,0,1,0,0,0|1,0,0]=3 53 B12R1.112 CCOC1=C(CC)C=C(Br)C=C1 N26366 [1,0,1,0,0,0|1,1,0]=4 54 B12R1.112 CCOC1=CC=C(Cl)C=C1CO N25468 [1,0,1,0,0,0|2,0,0]=4 55 B12R1.121 CNCCC1=CC=CC=C1OC P42864 [1,0,1,0,0,0|1,0,0]=3 56 B12R1.46 CC(C)C1=C(CO)C=CC(Br)=C1 N26793 [1,0,1,0,0,0|1,1,0]=4 57 B12R1.46 COC1=C(C(C)C)C=C(Br)C=C1 N24470 [1,0,1,0,0,0|1,1,0]=4 58 B12R1.283 CC(C)C1=CC=CC=C1CC#N K12327 [1,0,1,0,0,0|0,0,2]=4 59 B12R2.41 C1=CC2=C(CCNCC2)N=C1 L14612 [2,0,0,0,0,0|1,0,0]=3 60 B12R2.41 C1=CC=C2CCNCCC2=C1 G-5674 [2,0,0,0,0,0|0,0,0]=2 61 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 P36475 [0,1,1,0,0,0|2,0,0]=4 62 B14R1.776 CCCNCCC1=CC=C(OC)C=C1 P42952 [0,1,1,0,0,0|1,0,0]=3 63 B14R2.2400 COC1=CC2=C(C=C1)CCNCC2 L13019 [1,1,0,0,0,0|1,0,0]=3 64 B14R2.279 NC1C(=O)NCCC2=CC=CC=C21 M15187 [1,1,0,0,0,0|1,0,1]=4 65 B14R2.8045 CC1=CC2=C(CCCC2N)C(F)=C1 O32192 [0,1,0,0,1,0|2,0,0]=4 66 B14R2.28472 O=C1CCCC2=CC(Cl)=C(Cl)C=C12 P45888 [0,1,0,0,1,0|1,0,1]=4 67 B14R2.68 BrC1=CC=C(C2CCCCC2)C=C1 Q67622 [0,0,1,1,0,0|1,1,0]=4 68 B14R2.68 BrC1=CC=C(C2CNCCN2)C=C1 P42823 [0,0,1,1,0,0|1,1,0]=4 69 B14R2.68 BrC1=CC=C(C2CNCCO2)C=C1 P35893 [0,0,1,1,0,0|1,1,0]=4 70 B14R2.68 CC1=CC=C(C2CNCCN2)C=C1 P36786 [0,0,1,1,0,0|2,0,0]=4 71 B14R2.68 CC1=CC=C(C2CNCCO2)C=C1 P36353 [0,0,1,1,0,0|2,0,0]=4 72 B14R2.68 ClC1=CC=C(C2CCNCC2)C=C1 P36758 [0,0,1,1,0,0|2,0,0]=4 73 B14R2.68 ClC1=CC=C(C2CNCCN2)C=C1 P42422 [0,0,1,1,0,0|1,0,0]=3 74 B14R2.68 FC1=CC=C(C2CNCCN2)C=C1 P36785 [0,0,1,1,0,0|1,1,0]=4 75 B14R2.68 FC1=CC=C(C2CNCCO2)C=C1 P37014 [0,0,1,1,0,0|1,1,0]=4 76 B14R2.951 ClC1=CC=C(CNCC2CC2)C=C1 P43003 [0,0,1,1,0,0|2,0,0]=4 77 B14R2.21 CC1=CC(C2CNCCO2)=CC=C1 P37030 [0,0,1,1,0,0|2,0,0]=4 78 B14R2.21 ClC1=CC(C2CNCCN2)=CC=C1 P37642 [0,0,1,1,0,0|1,0,0]=3 79 B14R2.21 ClC1=CC(C2CNCCO2)=CC=C1 P37090 [0,0,1,1,0,0|1,0,0]=3 80 B14R2.21 ClC1=CC(C2COCCN2)=CC=C1 M23166 [0,0,1,1,0,0|2,0,0]=4 81 B14R2.21 FC1=CC(C2CNCCN2)=CC=C1 P41469 [0,0,1,1,0,0|1,1,0]=4 82 B14R2.4471 CC1=CC(C2(O)CCNC2)=CC=C1 P42722 [0,0,1,1,0,0|2,0,0]=4 83 B14R2.4471 OC1(C2=CC=CC(Cl)=C2)CCNC1 P36362 [0,0,1,1,0,0|1,0,0]=3 84 B14R2.47668 CC1=CC=C2CCC(O)(CN)C2=C1 L19738 [0,0,1,1,0,0|2,0,0]=4 85 B14R2.47668 NCC1(O)CCC2=CC=C(Cl)C=C21 L19941 [0,0,1,1,0,0|1,0,0]=3 86 B14R2.47668 NCC1(O)CCC2=CC=C(F)C=C21 L19922 [0,0,1,1,0,0|1,1,0]=4 87 B14R3.2531 C1=CC=C2C(=C1)C3CNCC2C3 Q65580 [1,0,0,1,0,0|0,0,0]=2 88 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 G-6479 [1,0,0,0,1,0|1,1,0]=4 89 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 P38383 [1,0,0,0,1,0|1,1,0]=4 90 B12R2.24 BrC1=CC2=C(CCNC2)N=C1 G-7628 [1,0,0,0,1,0|1,1,0]=4 91 B12R2.24 BrC1=CC2=C(CCNC2)N=C1 P51123 [1,0,0,0,1,0|1,1,0]=4 92 B12R2.24 BrC1=CC2=C(CCNC2)N=C1 Q52029 [1,0,0,0,1,0|1,1,0]=4 93 B12R2.24 BrC1=CC=C2CCNCC2=C1 G-6480 [1,0,0,0,1,0|0,1,0]=3 94 B12R2.24 BrC1=CC=C2CCNCC2=C1 G-6480-01 [1,0,0,0,1,0|0,1,0]=3 95 B12R2.24 BrC1=CC=C2CNCCC2=C1 L13599 [1,0,0,0,1,0|0,1,0]=3 96 B12R2.24 BrC1=CC=C2CNCCC2=C1 L14008 [1,0,0,0,1,0|0,1,0]=3 97 B12R2.24 BrC1=CN=C2CNCCC2=C1 P45962 [1,0,0,0,1,0|1,1,0]=4 98 B12R2.24 ClC1=CC2=C(CCNC2)N=C1 P51098 [1,0,0,0,1,0|1,0,0]=3 99 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 O33320 [1,0,0,0,1,0|1,0,0]=3 100 B12R2.24 ClC1=NC=C2CNCCC2=C1 10777 [1,0,0,0,1,0|1,0,0]=3 101 B12R2.24 ClC1=NC=C2CNCCC2=N1 L14320 [1,0,0,0,1,0|2,0,0]=4 102 B12R2.24 ClC1=NC=C2CNCCC2=N1 S72725 [1,0,0,0,1,0|2,0,0]=4 103 B12R2.24 IC1=CC2=C(C=C1)OCCC2 P36651 [1,0,0,0,1,0|1,1,0]=4 104 B12R2.24 IC1=CC=C2CCCNC2=C1 N25660 [1,0,0,0,1,0|1,1,0]=4 105 B12R2.24 NC1=CC2=C(CCNC2)N=C1 P51089 [1,0,0,0,1,0|2,0,0]=4 106 B12R2.24 NC1=CC2=C(CCNC2)N=C1 S72684 [1,0,0,0,1,0|2,0,0]=4 107 B12R2.24 NC1=NC2=C(C=C1)CNCC2 O32378 [1,0,0,0,1,0|2,0,0]=4 108 B12R2.24 NC1=NC2=C(C=C1)CNCC2 O32379 [1,0,0,0,1,0|2,0,0]=4 109 B12R2.24 NC1=NC2=C(C=C1)CNCC2 Q69785 [1,0,0,0,1,0|2,0,0]=4 110 B12R2.24 OC1=CC2=C(C=C1)CNCC2 L18301 [1,0,0,0,1,0|1,0,0]=3 111 B12R2.1081 NC1CCCC2=C1C=CN=C2 Q70139 [1,0,0,0,1,0|2,0,0]=4 112 B12R2.1081 NC1CCCC2=NC=CC=C21 C-3503 [1,0,0,0,1,0|2,0,0]=4 113 B12R2.1081 NC1CCOC2=CC=CC=C21 P37556 [1,0,0,0,1,0|2,0,0]=4 114 B12R2.1081 NC1COCC2=C1C=CC=C2 G-7548 [1,0,0,0,1,0|2,0,0]=4 115 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 10630 [1,0,0,0,1,0|2,0,0]=4 116 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 O34575 [1,0,0,0,1,0|2,0,0]=4 117 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 O34290 [1,0,0,0,1,0|2,0,0]=4 118 B12R2.1081 O=C1NCCC2=C1C=CC=C2 O30459 [1,0,0,0,1,0|1,0,1]=4 119 B12R2.1081 OC1CCCC2=C1N=CC=C2 P43430 [1,0,0,0,1,0|2,0,0]=4 120 B12R2.132 CC1=CC2=C(C=C1)CCC2N P38544 [0,0,0,0,2,0|2,0,0]=4 121 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 G-7513 [0,0,0,0,2,0|0,0,2]=4 122 B12R2.132 NC1CCC2=C1C=C(Br)C=C2 P42338 [0,0,0,0,2,0|1,1,0]=4 123 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 P36711 [0,0,0,0,2,0|1,0,0]=3 124 B12R2.132 NC1CCC2=C1C=C(F)C=C2 M23347 [0,0,0,0,2,0|1,1,0]=4 125 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 L18503 [0,0,0,0,2,0|2,0,0]=4 126 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 I-9219 [0,0,0,0,2,0|1,0,1]=4 127 B12R2.132 OC1CCC2=C1C=C(Cl)C=C2 P37662 [0,0,0,0,2,0|1,0,0]=3 128 B12R2.132 OC1CCC2=CC=C(Br)C=C21 N24956 [0,0,0,0,2,0|1,1,0]=4