0 B13R2.3683 CC1CC2=C(C=C(Br)C=C2)CN1 O29894 [1,0,0,0,0,0|3,0,0]=4 1 B13R2.3683 CC1CC2=C(C=C(Br)C=C2)CN1 P45099 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.3683 CN1CCC2=C(C=CC(N)=C2)C1 P51613 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CC2 P39589 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.3683 NC1CCC2=C(C=CC(Br)=C2)C1 O32609 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.51 CC(C)OC1=NC=C(Br)C=C1CO N26725 [0,0,1,0,0,0|3,0,0]=4 6 B13R1.51 CC(C)OC1=NC=C(Cl)C=C1CO N27621 [0,0,1,0,0,0|3,0,0]=4 7 B13R1.51 CC1=CC=C(OC(C)C)C(C=O)=C1 N25873 [0,0,1,0,0,0|1,0,2]=4 8 B13R1.51 CC1=CC=C(OC(C)C)C(CO)=C1 N25907 [0,0,1,0,0,0|1,0,0]=2 9 B13R1.141 CCOC1=CC=C(C)C=C1B(O)O Q66476 [0,0,1,0,0,0|3,0,0]=4 10 B13R1.147 CC1=NC(C(N)CC(C)C)=CC=C1 Q58460 [0,0,1,0,0,0|3,0,0]=4 11 B12R1.1 CC1=CC=C(CCCCBr)C=C1 P34730 [1,0,1,0,0,0|2,0,0]=4 12 B12R1.1 CC1=CC=C(CCCCI)C=C1 M23181 [1,0,1,0,0,0|2,0,0]=4 13 B12R1.1 CC1=CC=C(CCCCN)C=C1 P40979 [1,0,1,0,0,0|2,0,0]=4 14 B12R1.1 CC1=CC=C(CCCCO)C=C1 P37587 [1,0,1,0,0,0|1,0,0]=3 15 B12R1.1 CC1=CC=C(CNCCO)C=C1 P38262 [1,0,1,0,0,0|2,0,0]=4 16 B12R1.1 OCCCCC1=CC=C(Br)C=C1 P36218 [1,0,1,0,0,0|2,0,0]=4 17 B12R1.1 OCCCCC1=CC=C(Cl)C=C1 P40038 [1,0,1,0,0,0|2,0,0]=4 18 B12R1.1 OCCCCC1=CC=C(F)C=C1 P38247 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.49 CC1=CC=C(CC(N)CO)C=C1 P38590 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 P35566 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.75 CC(C)OC1=NC=CC=C1CO N25772 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.112 CCOC1=C(CC)C=C(Br)C=C1 N26366 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.112 CCOC1=CC=C(C)C=C1CO N25322 [1,0,1,0,0,0|1,0,0]=3 24 B12R1.112 CCOC1=CC=C(Cl)C=C1CO N25468 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.233 CC(C)NC1=CC=C(F)C=C1F P42072 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.233 CC1=C(OC(C)C)C=CC(O)=C1 N25319 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.233 CC1=CC(Br)=CC=C1OC(C)C Q67741 [1,0,1,0,0,0|2,0,0]=4 28 B12R1.233 CC1=CC=C(OC(C)C)C(Br)=C1 N24145 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.17 CC1=CC(C(N)CCO)=CC=C1 P36619 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.17 CCCC(N)C1=CC=CC(C)=N1 Q58458 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 Q69139 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.107 CN(C)CC(O)C1=CC=CC=C1 P36593 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.226 CC1=CC(CNC(C)C)=CC=C1 P35131 [1,0,1,0,0,0|2,0,0]=4 34 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 P38383 [2,0,0,0,0,0|2,0,0]=4 35 B12R2.24 BrC1=CC=C2NCCOC2=C1 O34410 [2,0,0,0,0,0|2,0,0]=4 36 B12R2.24 CC1=NC=C2NCCCC2=N1 Q69852 [2,0,0,0,0,0|2,0,0]=4 37 B12R2.24 IC1=CC2=C(C=C1)OCCC2 P36651 [2,0,0,0,0,0|2,0,0]=4 38 B12R2.24 OC1=CN=C2NCCCC2=C1 L20356 [2,0,0,0,0,0|2,0,0]=4 39 B12R2.24 O[C@@H]1CCC2=C(C=CC=C2)C1 Q69508 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 O32386 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.1081 NC1CCOC2=CC=CC=C21 P37556 [2,0,0,0,0,0|2,0,0]=4 42 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 O34575 [2,0,0,0,0,0|2,0,0]=4 43 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 O34290 [2,0,0,0,0,0|2,0,0]=4 44 B12R2.1081 O=C1CCNC2=C1C=CC=C2 B-1121 [2,0,0,0,0,0|0,0,2]=4 45 B12R2.1081 O=C1CCNC2=C1C=CC=C2 O34422 [2,0,0,0,0,0|0,0,2]=4 46 B12R2.1081 OC1CCCC2=C1N=CC=C2 P43430 [2,0,0,0,0,0|2,0,0]=4 47 B14R1.101 COC1=CC=C(OC(C)C)C(CO)=C1 N24764 [0,1,1,0,0,0|1,0,0]=3 48 B14R1.368 CC1=CC(Br)=C(OC(C)C)C(CO)=C1 N27656 [0,1,1,0,0,0|1,0,0]=3 49 B14R1.2295 CC(C)OC1=CC(F)=C(F)C=C1CO O29134 [0,1,1,0,0,0|2,0,0]=4 50 B14R1.6074 CC1=CC=C(OC(C)C)C(B(O)O)=C1 Q66508 [0,1,1,0,0,0|2,0,0]=4 51 B14R1.6074 CC1=CC=C(OC(C)C)C(C(=O)O)=C1 N25438 [0,1,1,0,0,0|1,0,1]=4 52 B14R2.8045 CC1=CC2=C(CCCC2N)C(F)=C1 O32192 [1,1,0,0,0,0|2,0,0]=4 53 B14R2.8751 CC1=CC2=C(C=C1)N(C)CCC2=O S72551 [1,1,0,0,0,0|0,0,2]=4 54 B14R2.8239 CC1=CC2=C(C=C1F)NC(=O)CC2 O33663 [1,1,0,0,0,0|1,0,1]=4 55 B14R2.72 CC1=CC=C(CC2CCNC2)C=C1 P40148 [0,0,1,1,0,0|2,0,0]=4 56 B14R2.72 CC1=CC=C(OC2CCNC2)C=C1 P34889 [0,0,1,1,0,0|2,0,0]=4 57 B14R2.72 CC1=CC=C(O[C@@H]2CCNC2)C=C1 P41910 [0,0,1,1,0,0|2,0,0]=4 58 B14R2.72 CC1=CC=C(O[C@H]2CCNC2)C=C1 P41909 [0,0,1,1,0,0|2,0,0]=4 59 B14R2.72 NC1=CC=C(OC2CCOC2)C=C1 M22893 [0,0,1,1,0,0|2,0,0]=4 60 B14R2.947 CC1=CC=C(CN2CC(O)C2)C=C1 P42634 [0,0,1,1,0,0|2,0,0]=4 61 B14R2.947 CC1=CC=C(O[C@H]2C[C@H](N)C2)C=C1 I-9672 [0,0,1,1,0,0|2,0,0]=4 62 B14R2.306 CC1=CC=C(Br)C(C2OCCO2)=C1 Q66722 [0,0,1,1,0,0|2,0,0]=4 63 B12R1.16 CC1=CC=C(C(N)CCO)C=C1 P36618 [0,0,1,0,1,0|1,0,0]=3 64 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 P42260 [0,0,1,0,1,0|1,0,0]=3 65 B12R1.16 CC1=CC=C([C@H](N)CCO)C=C1 P42755 [0,0,1,0,1,0|1,0,0]=3 66 B12R1.16 NC(CCO)C1=CC=C(Br)C=C1 P36052 [0,0,1,0,1,0|2,0,0]=4 67 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 P36616 [0,0,1,0,1,0|2,0,0]=4 68 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 P37084 [0,0,1,0,1,0|2,0,0]=4 69 B12R1.16 NC1=CC=C(C(N)CCO)C=C1 P35426 [0,0,1,0,1,0|2,0,0]=4 70 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 P42566 [0,0,1,0,1,0|2,0,0]=4 71 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 P35435 [0,0,1,0,1,0|2,0,0]=4 72 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 P39529 [0,0,1,0,1,0|2,0,0]=4 73 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 P42268 [0,0,1,0,1,0|2,0,0]=4 74 B12R1.16 N[C@H](CCO)C1=CC=C(Cl)C=C1 P42266 [0,0,1,0,1,0|2,0,0]=4 75 B12R1.16 N[C@H](CCO)C1=CC=C(F)C=C1 P39530 [0,0,1,0,1,0|2,0,0]=4 76 B12R1.16 OCCC(O)C1=CC=C(Br)C=C1 P39649 [0,0,1,0,1,0|2,0,0]=4 77 B12R1.57 CN(C)C1=CC=C(Br)C=C1CO N25704 [0,0,1,0,1,0|2,0,0]=4 78 B12R1.225 CC(N)C(O)C1=CC(O)=CC=C1 L20369 [0,0,1,0,1,0|1,0,0]=3 79 B12R2.132 CC1=CC2=C(C=C1)CCC2N P38544 [1,0,0,0,1,0|1,0,0]=3 80 B12R2.132 CC1=CC=C2COB(O)C2=C1 Q68463 [1,0,0,0,1,0|2,0,0]=4 81 B12R2.132 NC1CCC2=C1C=C(Br)C=C2 P42338 [1,0,0,0,1,0|2,0,0]=4 82 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 P36711 [1,0,0,0,1,0|2,0,0]=4 83 B12R2.132 NC1CCC2=C1C=C(F)C=C2 M23347 [1,0,0,0,1,0|2,0,0]=4 84 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 L18503 [1,0,0,0,1,0|2,0,0]=4 85 B12R2.132 OC1CCC2=C1C=C(Cl)C=C2 P37662 [1,0,0,0,1,0|1,0,0]=3 86 B12R2.132 OC1CCC2=CC=C(Br)C=C21 N24956 [1,0,0,0,1,0|1,0,0]=3 87 B12R2.2028 CC1OB(O)C2=CC=CC=C21 N27110 [1,0,0,0,1,0|2,0,0]=4 88 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 10152 [1,0,0,0,1,0|2,0,0]=4 89 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 P40299 [1,0,0,0,1,0|2,0,0]=4 90 B12R2.612 NC1CCC2=C1C=CC(F)=C2 Q66157 [1,0,0,0,1,0|2,0,0]=4 91 B12R2.612 OC1CCC2=C1C=CC(Br)=C2 Q66199 [1,0,0,0,1,0|2,0,0]=4