0 B11R1.16 C=CCC(O)C1=NC=CC=C1 L20408 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.16 CC(CCN)C1=CC=CC=C1 P38414 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.16 CC(CCN)C1=CC=NC=C1 Q58360 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.16 CCCC(=O)C1=CC=CN=C1 P40625 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.16 CCCC(N)C1=CC=CC=C1 P39016 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.16 CCNC(C)C1=CC=NC=C1 Q58232 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.16 CCNC(C)C1=CC=NC=C1 Q58233 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.16 CNCC(C)C1=CC=CC=C1 P37180 [0,0,0,0,0,0|0,0,0]=0 8 B11R1.16 CNCC(O)C1=CC=CN=C1 Q58187 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.16 CNCC(O)C1=NC=CC=C1 L20626 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.16 COCC(N)C1=CC=CC=C1 P40515 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 P35167 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.16 COC[C@@H](N)C1=CC=CN=C1 P43472 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.16 COC[C@H](N)C1=CC=CC=C1 P36845 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.16 COC[C@H](N)C1=CC=CN=C1 P43473 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.16 CONC(=O)C1=CC=CC=C1 Q65648 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.16 NCCC(O)C1=CC=CC=C1 P37784 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 P35908 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 P40616 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 Q62763 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.15 CCC(=O)C1=CC=CN=C1 P40926 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.15 CCC(=O)C1=CC=NC=C1 P40626 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.15 CCC(=O)C1=NC=CC=C1 P38825 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.15 CCC(N)C1=CC=CC=C1 P39015 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.15 CCC(N)C1=NC=CN=C1 L13036 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 P40939 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 P40176 [1,0,0,0,0,0|0,0,0]=1 27 B10R1.15 CN[C@H](C)C1=CC=CC=C1 P37197 [1,0,0,0,0,0|0,0,0]=1 28 B10R1.15 N=C(NN)C1=CC=CC=C1 O30004 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.15 NC(CO)C1=CC=NC=C1 Q53510 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.15 NCC(N)C1=CC=CC=C1 P40726 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.15 NCC(O)C1=CC=CN=C1 O32747 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.15 NCC(O)C1=CC=CN=C1 P43089 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.15 NCC(O)C1=CC=NC=C1 P35258 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.15 NCC(O)C1=NC=CC=C1 P35259 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 P43243 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.15 NC[C@H](O)C1=CC=CC=C1 P43317 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.15 OC(CCl)C1=CC=CN=C1 O32660 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.17 C#CCOC1=CC=CC=C1 P41520 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.17 C=COCC1=CC=CC=C1 I-9956 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.17 CCCCC1=CC=NC=C1 O30545 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.17 CNCCC1=CC=CC=C1 P37213 [1,0,0,0,0,0|0,0,0]=1 42 B10R1.17 CNCCC1=CC=NC=C1 P37446 [1,0,0,0,0,0|1,0,0]=2 43 B10R1.17 CNCCC1=NC=CC=C1 P40087 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.17 ICCCC1=CC=CC=C1 P38180 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.17 NCCCC1=CC=NC=C1 P38929 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.17 NNCCC1=CC=NC=C1 Q58254 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.17 O=CCCC1=CC=NC=C1 Q60378 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.17 O=CCOC1=CC=CC=C1 K12296 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.17 OCCCC1=NC=CC=C1 P39056 [1,0,0,0,0,0|3,0,0]=4 50 B12R1.16 CC1=CC=C(C(N)CCO)C=C1 P36618 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 P42260 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.16 CC1=CC=C([C@H](N)CCO)C=C1 P42755 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.16 NC(CCO)C1=CC=C(Br)C=C1 P36052 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 P36616 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 P37084 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.16 NC1=CC=C(C(N)CCO)C=C1 P35426 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 P42566 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 P35435 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 P39529 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 P42268 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.16 N[C@H](CCO)C1=CC=C(Cl)C=C1 P42266 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.16 N[C@H](CCO)C1=CC=C(F)C=C1 P39530 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.16 OCCC(O)C1=CC=C(Br)C=C1 P39649 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.17 CC1=CC(C(N)CCO)=CC=C1 P36619 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.17 CCCC(=O)C1=CC=CC(Cl)=C1 P39716 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.17 CCCC(N)C1=CC=CC(C)=N1 Q58458 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.17 COCC(=O)C1=CC=CC(Cl)=C1 P39392 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.17 NC(CCO)C1=CC=CC(Br)=C1 P36053 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.17 NC(CCO)C1=CC=CC(Cl)=C1 O30501 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.17 NC(CCO)C1=CC=CC(F)=C1 P36600 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 P42271 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 P42264 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.17 N[C@H](CCO)C1=CC=CC(Cl)=C1 P42256 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 Q69139 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.30 C=CCNC(C)C1=CC=CC=N1 Q58228 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.30 C=CCNC(C)C1=CC=CN=C1 Q58240 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.30 C=CCNC(C)C1=CC=NC=C1 Q58229 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.30 CC(NCCN)C1=CC=CC=C1 L20203 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.30 CC(NCCO)C1=CC=CC=N1 Q58298 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.30 CC(NCCO)C1=CC=CN=C1 Q58296 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.30 CC(NCCO)C1=CC=NC=C1 Q58297 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.30 CCCCC(N)C1=CC=CC=N1 Q58402 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.30 CN(CCCN)C1=CC=CC=N1 Q62432 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.30 COCCC(N)C1=CC=CC=C1 P38104 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.30 NC(CCCO)C1=CC=CC=C1 Q65498 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 O30231 [0,1,0,0,0,0|1,0,1]=3 87 B12R1.34 COC(=O)C(C)C1=CC=CN=C1 Q62302 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 P38441 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.39 CC(C)(CCBr)C1=CC=CC=C1 L19577 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.39 CC(C)(CCO)C1=CC=CC=C1 L20303 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 L20607 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.107 CC(CC(=O)O)C1=CC=CC=N1 Q60567 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Q60575 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 P38865 [0,1,0,0,0,0|1,0,0]=2 95 B12R1.107 CN(C)CC(O)C1=CC=CC=C1 P36593 [0,1,0,0,0,0|1,0,0]=2 96 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 P36537 [0,1,0,0,0,0|1,0,0]=2 97 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 P40514 [0,1,0,0,0,0|1,0,0]=2 98 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M23149 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.308 CCCC(=O)C1=CC=CC=C1Cl P39717 [0,1,0,0,0,0|2,0,1]=4 100 B12R1.308 NC(CCO)C1=CC=CC=C1Br P40578 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.308 NC(CCO)C1=CC=CC=C1Cl P39744 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.308 NC(CCO)C1=CC=CC=C1F P37085 [0,1,0,0,0,0|3,0,0]=4 103 B12R2.2 C1=CC(C2CCCN2)=CC=N1 I-9758 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.2 C1=CC=C(C2CCCN2)C=C1 Q55561 [0,0,0,1,0,0|2,0,0]=3 105 B12R2.2 C1=CC=C(C2CCCO2)C=C1 G-5955 [0,0,0,1,0,0|2,0,0]=3 106 B12R2.2 C1=CC=C(C2CCNC2)C=C1 L13987 [0,0,0,1,0,0|0,0,0]=1 107 B12R2.2 C1=CC=C(C2CCNC2)C=C1 P44791 [0,0,0,1,0,0|0,0,0]=1 108 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 L14895 [0,0,0,1,0,0|0,0,0]=1 109 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 10698 [0,0,0,1,0,0|2,0,0]=3 110 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 L22374 [0,0,0,1,0,0|0,0,0]=1 111 B12R2.2 C1=CN=C(C2CCCN2)C=C1 M22660 [0,0,0,1,0,0|3,0,0]=4 112 B12R2.2 C1=CN=C(C2CCNC2)C=C1 A-560 [0,0,0,1,0,0|1,0,0]=2 113 B12R2.2 C1=CN=C(C2CCNC2)C=C1 A-562 [0,0,0,1,0,0|1,0,0]=2 114 B12R2.22 NC1CC(C2=CC=CC=C2)C1 L13852 [0,0,0,1,0,0|2,0,0]=3 115 B12R2.22 NC1CN(C2=CC=CC=C2)C1 L21688 [0,0,0,1,0,0|3,0,0]=4 116 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 I-9024 [0,0,0,1,0,0|2,0,0]=3 117 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 I-9025 [0,0,0,1,0,0|2,0,0]=3 118 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 O30293 [0,0,0,1,0,0|2,0,0]=3 119 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 D-2509 [0,0,0,1,0,0|3,0,0]=4 120 B12R2.22 OC1CN(C2=CC=CC=C2)C1 L18106 [0,0,0,1,0,0|3,0,0]=4 121 B12R2.27 N#CC1CC1C2=CC=CC=C2 P43268 [0,0,0,1,0,0|2,0,0]=3 122 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 M15885 [0,0,0,1,0,0|2,0,0]=3 123 B12R2.27 NCC1CC1C2=CC=CC=C2 L19913 [0,0,0,1,0,0|2,0,0]=3 124 B12R2.27 O=CC1CC1C2=CC=CC=C2 L20873 [0,0,0,1,0,0|2,0,0]=3 125 B12R2.27 OCC1CC1C2=CC=CC=C2 P51570 [0,0,0,1,0,0|2,0,0]=3 126 B12R2.116 NC1(C2=CC=CC=C2)CCC1 P40536 [0,0,0,1,0,0|2,0,0]=3 127 B12R2.116 NC1(C2=CC=CC=C2)CCC1 P42329 [0,0,0,1,0,0|2,0,0]=3 128 B12R2.116 NC1(C2=CC=CC=C2)COC1 G-7244 [0,0,0,1,0,0|2,0,0]=3 129 B12R2.116 NC1(C2=CC=CC=C2)COC1 P49351 [0,0,0,1,0,0|2,0,0]=3 130 B12R2.116 NC1(C2=CC=CN=C2)COC1 F-4832 [0,0,0,1,0,0|3,0,0]=4 131 B12R2.116 NC1(C2=CC=CN=C2)COC1 L14651 [0,0,0,1,0,0|3,0,0]=4 132 B12R2.116 NC1(C2=NC=CC=C2)COC1 F-4838 [0,0,0,1,0,0|3,0,0]=4 133 B12R2.116 OC1(C2=CC=CC=C2)CNC1 G-6286 [0,0,0,1,0,0|1,0,0]=2 134 B12R2.116 OC1(C2=NC=CC=C2)CNC1 Q65571 [0,0,0,1,0,0|2,0,0]=3 135 B12R2.1081 NC1CCCC2=C1C=CN=C2 Q70139 [0,0,0,1,0,0|3,0,0]=4 136 B12R2.1081 NC1CCCC2=NC=CC=C21 C-3503 [0,0,0,1,0,0|3,0,0]=4 137 B12R2.1081 NC1CCOC2=CC=CC=C21 P37556 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.1081 NC1COCC2=C1C=CC=C2 G-7548 [0,0,0,1,0,0|2,0,0]=3 139 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 10630 [0,0,0,1,0,0|3,0,0]=4 140 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 O34575 [0,0,0,1,0,0|3,0,0]=4 141 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 O34290 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.1081 O=C1COCC2=CC=CC=C12 C-2359 [0,0,0,1,0,0|2,0,1]=4 143 B12R2.1081 OC1CCCC2=C1N=CC=C2 P43430 [0,0,0,1,0,0|3,0,0]=4 144 B12R2.2028 CC1OB(O)C2=CC=CC=C21 N27110 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.2028 CN1C=C(Br)C2=C1C=CC=C2 Q54271 [0,0,0,1,0,0|1,0,2]=4 146 B12R2.2028 CN1N=C(Br)C2=C1C=CC=C2 O31186 [0,0,0,1,0,0|2,0,1]=4 147 B12R2.2028 CN1N=C(I)C2=CC=CC=C21 L14062 [0,0,0,1,0,0|2,0,1]=4 148 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 P39493 [0,0,0,1,0,0|2,0,0]=3 149 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 P51521 [0,0,0,1,0,0|2,0,0]=3 150 B12R1.32 C#CCN(C)CC1=CC=CC=C1 O33738 [0,0,0,0,0,1|2,0,1]=4 151 B12R1.32 CN(CCN)CC1=CC=CC=C1 P41340 [0,0,0,0,0,1|3,0,0]=4 152 B12R1.32 CONC(C)CC1=CC=CC=C1 O31441 [0,0,0,0,0,1|2,0,0]=3 153 B9R1.6 CC(C)C1=NC=CC=C1 C-3354 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.6 CC(N)C1=CC=NC=C1 P37797 [2,0,0,0,0,0|1,0,0]=3 155 B9R1.6 CC(N)C1=CC=NC=N1 Q51822 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.6 CC(N)C1=CC=NN=C1 G-7533 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.6 CC(N)C1=CC=NN=C1 L13924 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.6 CC(N)C1=CN=CN=C1 G-5168 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.6 CC(N)C1=CN=CN=C1 Q51812 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.6 CC(N)C1=NC=CC=C1 P38151 [2,0,0,0,0,0|1,0,0]=3 161 B9R1.6 CC(N)C1=NC=CC=N1 Q55479 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Q53046 [2,0,0,0,0,0|1,0,0]=3 163 B9R1.6 C[C@@H](N)C1=CN=CC=C1 Q54675 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.6 C[C@@H](N)C1=CN=CN=C1 I-9747 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.6 C[C@@H](N)C1=NC=CC=N1 Q57196 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.6 C[C@H](N)C1=CN=CN=C1 Q51933 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.6 C[C@H](N)C1=NC=CC=N1 Q57195 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.6 C[C@H](N)C1=NC=CC=N1 Q65669 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.8 BrCCC1=CC=NC=C1 Q62364 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.8 BrCCC1=CN=CC=C1 Q62363 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.8 CNCC1=CC=CN=C1 P35002 [2,0,0,0,0,0|1,0,0]=3 172 B9R1.8 CNCC1=CC=NC=C1 P36555 [2,0,0,0,0,0|1,0,0]=3 173 B9R1.8 CNCC1=CN=CN=C1 G-7225 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.8 CNCC1=NC=CC=C1 P39822 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.8 CNCC1=NC=CC=N1 L18100 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.8 NCCC1=CC=NC=N1 L14509 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.8 NCCC1=NC=CC=N1 L14904 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.8 NCCC1=NC=CC=N1 Q55474 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.8 NCCC1=NC=NC=C1 Q56454 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.8 NNCC1=CC=CC=C1 P43525 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.8 NNCC1=CC=CN=C1 O31533 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.8 NNCC1=CC=NC=C1 C-3253 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.8 NNCC1=CC=NC=C1 L13556 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.8 NNCC1=CC=NC=C1 O32212 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.8 NNCC1=CN=CC=C1 C-3254 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.8 NNCC1=NC=CC=C1 C-3255 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.8 NNCC1=NC=CC=C1 O31423 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.8 OCCC1=CC=CN=C1 O28068 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.8 OCCC1=CC=NC=C1 P37585 [2,0,0,0,0,0|2,0,0]=4 190 B11R1.7 CC(C)(CN)C1=CC=CC=C1 P39760 [1,1,0,0,0,0|0,0,0]=2 191 B11R1.7 CC(C)(CN)C1=NC=CC=N1 Q52438 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.7 CC(C)(CN)C1=NC=CC=N1 Q52439 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.7 CC(C)(CO)C1=NC=CC=C1 Q54944 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.7 CC(N)(CO)C1=CC=CC=C1 P35233 [1,1,0,0,0,0|1,0,0]=3 195 B11R1.7 NCC(F)(F)C1=NC=CC=C1 L14284 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.12 CCB(CC)C1=CC=NC=C1 P51207 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.12 NC\C(=C\Cl)C1=CC=CC=C1 M15334 [1,1,0,0,0,0|0,0,2]=4 198 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 P38144 [1,1,0,0,0,0|0,0,2]=4 199 B11R1.22 CC(C#N)C1=CC=C(F)C=C1 P37672 [1,1,0,0,0,0|0,0,2]=4 200 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 P39316 [1,1,0,0,0,0|0,0,0]=2 201 B11R1.22 CC(CN)C1=CC=C(F)C=C1 P38013 [1,1,0,0,0,0|0,0,0]=2 202 B11R1.22 CC(NN)C1=CC=C(Br)C=C1 L20939 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.22 CC(NN)C1=CC=C(Cl)C=C1 L20940 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 P37504 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.22 CC1=CC=C(C(N)CO)C=C1 P40922 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.22 CC1=CC=C(C(O)CN)C=C1 P37591 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 P36899 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 P38803 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 P36287 [1,1,0,0,0,0|1,0,0]=3 210 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 P36295 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.22 CCC(N)C1=CC=C(F)C=C1 P36286 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.22 CCC(O)C1=CC=C(Cl)C=C1 P41437 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.22 CCN(C)C1=CC=C(N)C=C1 P39418 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 P39994 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 P40406 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.22 NC(CO)C1=CC=C(F)C=C1 P41377 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 P40081 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 P38182 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 P38165 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.22 NCC(O)C1=CC=C(F)C=C1 P38012 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 P38585 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 P42773 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 P40509 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 P43288 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 P40187 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 P39567 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.23 CC1=CC(C(N)CO)=CC=C1 P42443 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.23 CC1=CC(C(O)CN)=CC=C1 P37590 [1,1,0,0,0,0|1,0,0]=3 229 B11R1.23 CC1=CC([C@H](N)CO)=CC=C1 P42962 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.23 CCC(N)C1=CC=CC(Cl)=C1 P38298 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.23 CCC(O)C1=CC=CC(Cl)=C1 P38851 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.23 NC(CO)C1=CC=CC(Br)=C1 P40234 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 P40407 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.23 NC(CO)C1=CC=CC(F)=C1 P40409 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.23 NCC(=O)C1=CC=CC(Br)=C1 P37041 [1,1,0,0,0,0|1,0,1]=4 236 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 P37749 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.23 NCC(=O)C1=CC=CC(F)=C1 P35035 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.23 NCC(=O)C1=CC=CC(O)=C1 P41173 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.23 NCC(O)C1=CC=CC(Br)=C1 P38183 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.23 NCC(O)C1=CC=CC(Cl)=C1 P37589 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.23 NCC(O)C1=CC=CC(F)=C1 P38243 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 P51568 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 P39827 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 P35059 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 P42255 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 P39826 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 P36766 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 P38815 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.36 CC(C)C(C)C1=CC=CC=C1 P43269 [1,1,0,0,0,0|0,0,0]=2 250 B11R1.36 CC(C)C(N)C1=CC=CC=C1 P36744 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.36 CC(C)C(O)C1=CC=NC=C1 L20534 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 P37697 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.222 CC1=CC=CC=C1C(N)CO P42682 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.222 CC1=CC=CC=C1C(O)CN P41633 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.222 CCC(N)C1=CC=CC=C1C P37948 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.222 CCC(N)C1=CC=CC=C1Cl Q66027 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.222 CNC(=O)C1=CC=CC=C1Br P37075 [1,1,0,0,0,0|1,0,1]=4 258 B11R1.222 CNC(=O)C1=CC=CC=C1C O32523 [1,1,0,0,0,0|1,0,1]=4 259 B11R1.222 NC(CO)C1=CC=CC=C1Br P42427 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.222 NC(CO)C1=CC=CC=C1Cl P41841 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.222 NC(CO)C1=CC=CC=C1F P40408 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.222 NCC(=O)C1=CC=CC=C1Br P35565 [1,1,0,0,0,0|1,0,1]=4 263 B11R1.222 NCC(=O)C1=CC=CC=C1Cl P40753 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.222 NCC(=O)C1=CC=CC=C1O P37785 [1,1,0,0,0,0|1,0,1]=4 265 B11R1.222 NCC(O)C1=CC=CC=C1Br P36482 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.222 NCC(O)C1=CC=CC=C1Cl P39491 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.222 NCC(O)C1=CC=CC=C1F P38828 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.222 N[C@@H](CO)C1=CC=CC=C1Cl P42273 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.222 N[C@H](CO)C1=CC=CC=C1Cl P39761 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.1 BrCCCC1=CC=C(Br)C=C1 O28558 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.1 CC1=CC=C(CCCN)C=C1 P37491 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.1 CC1=CC=C(CCCO)C=C1 P37548 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.1 CCCNC1=CC=C(Br)C=C1 L20694 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.1 CCOCC1=CC=C(Br)C=C1 Q68272 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.1 CNCCC1=CC=C(Br)C=C1 P36407 [1,1,0,0,0,0|0,0,0]=2 276 B11R1.1 CNCCC1=CC=C(C)C=C1 P39523 [1,1,0,0,0,0|0,0,0]=2 277 B11R1.1 CNCCC1=CC=C(Cl)C=C1 P38411 [1,1,0,0,0,0|0,0,0]=2 278 B11R1.1 CNCCC1=CC=C(F)C=C1 P38002 [1,1,0,0,0,0|0,0,0]=2 279 B11R1.1 COCOC1=CC=C(Br)C=C1 Q66626 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.1 COCOC1=CC=C(C)C=C1 Q67077 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.1 COCOC1=CC=C(Cl)C=C1 Q66756 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.1 COCOC1=CC=C(F)C=C1 Q66729 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.1 ClC1=CC=C(CCCBr)C=C1 P36856 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.1 FC1=CC=C(CCCBr)C=C1 P39413 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 P38827 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.1 NC1=CC=C(CCCO)C=C1 O28226 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.1 NCCCC1=CC=C(Br)C=C1 P36773 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.1 NCCCC1=CC=C(Cl)C=C1 P40263 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.1 NCCCC1=CC=C(F)C=C1 P43064 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.1 NCCCC1=CC=C(N)C=C1 P35188 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.1 OCCCC1=CC=C(Br)C=C1 P39318 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.1 OCCCC1=CC=C(F)C=C1 P36540 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.17 BrCCCC1=CC=CC=C1Br O28828 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.17 CC1=CC=CC=C1CCCN P36201 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.17 CNCCC1=CC=CC=C1Br Q66105 [1,1,0,0,0,0|0,0,0]=2 296 B11R1.17 CNCCC1=CC=CC=C1C P36240 [1,1,0,0,0,0|0,0,0]=2 297 B11R1.17 CNCCC1=CC=CC=C1Cl P37635 [1,1,0,0,0,0|0,0,0]=2 298 B11R1.17 CNCCC1=CC=CC=C1F P37905 [1,1,0,0,0,0|0,0,0]=2 299 B11R1.17 COCOC1=C(N)C=CC=C1 L20232 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.17 COCOC1=CC=CC=C1Br Q66625 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.17 COCOC1=CC=CC=C1C Q68157 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.17 COCOC1=CC=CC=C1Cl N25780 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.17 COCOC1=CC=CC=C1F Q66727 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.17 ClC1=CC=CC=C1CCCBr P37495 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.17 FC1=CC=CC=C1CCCBr P41797 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.17 NCCCC1=CC=CC=C1Br P36821 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.17 NCCCC1=CC=CC=C1Cl P40265 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.17 NCCCC1=CC=CC=C1F P35165 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.17 OCCCC1=CC=CC=C1Cl P36965 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.17 OCCCC1=CC=CC=C1F P36169 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.24 BrCCCC1=CC(Br)=CC=C1 O28830 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.24 CC1=CC(CCCN)=CC=C1 P42846 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.24 CC1=CC(CCCO)=CC=C1 P42630 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.24 CCCCC1=CC=CC(N)=N1 O30054 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.24 CCCC[N+]1=CC=CC(C)=C1 O34174 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.24 CCCOC1=CC(Br)=CC=C1 Q66928 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.24 CNCCC1=CC=CC(Br)=C1 P36066 [1,1,0,0,0,0|0,0,0]=2 318 B11R1.24 CNCCC1=CC=CC(C)=C1 P41493 [1,1,0,0,0,0|0,0,0]=2 319 B11R1.24 CNCCC1=CC=CC(Cl)=C1 P37634 [1,1,0,0,0,0|0,0,0]=2 320 B11R1.24 CNCCC1=CC=CC(F)=C1 P37712 [1,1,0,0,0,0|0,0,0]=2 321 B11R1.24 COCOC1=CC(Br)=CC=C1 Q66574 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.24 COCOC1=CC(Cl)=CC=C1 Q66406 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.24 COCOC1=CC(F)=CC=C1 Q66728 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.24 ClC1=CC(CCCBr)=CC=C1 P35187 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.24 FC1=CC(CCCBr)=CC=C1 P40928 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.24 NCCCC1=CC(O)=CC=C1 P37377 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.24 NCCCC1=CC=CC(Br)=C1 P40513 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.24 NCCCC1=CC=CC(Cl)=C1 P40264 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.24 NCCCC1=CC=CC(F)=C1 P42845 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.24 NCCCC1=CC=CC(N)=C1 P38762 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.24 OCCCC1=CC=CC(Br)=C1 P36802 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.24 OCCCC1=CC=CC(Cl)=C1 P39520 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.24 OCCCC1=CC=CC(F)=C1 P40929 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.24 OCCCC1=CC=CC(O)=C1 P41291 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.28 BrCCCCC1=CC=CC=C1 P41514 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.28 CCCNCC1=CC=CC=C1 P39958 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.28 CNCCCC1=CC=CC=C1 P39485 [1,1,0,0,0,0|0,0,0]=2 338 B11R1.28 ClCCOCC1=CC=CC=C1 P40573 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.28 ICCCCC1=CC=CC=C1 P36870 [1,1,0,0,0,0|1,0,0]=3 340 B11R1.28 ICCOCC1=CC=CC=C1 P37513 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.28 N#CCOCC1=CC=CC=C1 P41519 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.28 NCCCOC1=CC=CC=C1 P36207 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.28 O=CCOCC1=CC=CC=C1 P37120 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.28 OCCCCC1=CC=CN=C1 P37114 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.28 OCCCCC1=CC=NC=C1 P37629 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.28 OCCCCC1=NC=CC=C1 P40417 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 P51547 [1,1,0,0,0,0|1,0,1]=4 348 B11R1.40 CCC(Br)CC1=CC=NC=C1 Q58440 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.40 CCC(N)CC1=CC=CC=C1 P38928 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.40 CCC(O)CC1=CC=NC=C1 Q58397 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.40 NC(CO)CC1=CC=CC=C1 P36941 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.40 O=C(CC1=CC=CC=C1)NO P37592 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.91 CC(N)COC1=CC=CC=C1 P38614 [1,1,0,0,0,0|2,0,0]=4 354 B13R1.19 CNCC(=O)NC1=CC=C(C)C=C1 P36851 [0,1,0,0,0,1|1,0,1]=4 355 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 P40579 [0,1,0,0,0,1|1,0,1]=4 356 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 P42628 [0,1,0,0,0,1|1,0,1]=4 357 B13R1.348 CN(C)CC(N)CC1=CC=CC=C1 P38987 [0,1,0,0,0,1|1,0,0]=3 358 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 P38986 [0,1,0,0,0,1|1,0,0]=3 359 B13R1.348 CN(C)C[C@H](N)CC1=CC=CC=C1 P35578 [0,1,0,0,0,1|1,0,0]=3 360 B13R1.532 COC(=O)C(CN)C1=CC=CC=C1 P35205 [0,2,0,0,0,0|1,0,1]=4 361 B13R1.532 COC(=O)[C@@H](CN)C1=CC=CC=C1 Q69053 [0,2,0,0,0,0|1,0,1]=4 362 B13R1.132 CN(C)CC(N)C1=CC=C(Cl)C=C1 M22949 [0,2,0,0,0,0|1,0,0]=3 363 B13R1.452 CNCC(=O)C1=CC=C(OC)C=C1 O32427 [0,2,0,0,0,0|1,0,1]=4 364 B13R1.22 COC(=O)C(C)C1=CC=CC(N)=C1 O30009 [0,2,0,0,0,0|1,0,1]=4 365 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 P41685 [0,2,0,0,0,0|2,0,0]=4 366 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 P40074 [0,2,0,0,0,0|1,0,1]=4 367 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 M22874 [0,2,0,0,0,0|2,0,0]=4 368 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 M23064 [0,2,0,0,0,0|2,0,0]=4 369 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M23616 [0,2,0,0,0,0|2,0,0]=4 370 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M23881 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.45 C=C(C)CNC(C)C1=CC=CC=N1 Q58236 [0,2,0,0,0,0|2,0,0]=4 372 B13R1.45 C=C(C)CNC(C)C1=CC=CN=C1 Q58242 [0,2,0,0,0,0|2,0,0]=4 373 B13R1.45 C=C(C)CNC(C)C1=CC=NC=C1 Q58237 [0,2,0,0,0,0|2,0,0]=4 374 B13R1.45 CC(O)CNC(C)C1=CC=CC=N1 Q58144 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.45 CC(O)CNC(C)C1=CC=CN=C1 Q58142 [0,2,0,0,0,0|2,0,0]=4 376 B13R1.45 CC(O)CNC(C)C1=CC=NC=C1 Q58143 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.152 CN(C)C(=O)C(N)C1=CC=CC=C1 O30261 [0,2,0,0,0,0|1,0,1]=4 378 B13R1.708 COC(=O)C(C)(N)C1=CC=CC=C1 P40173 [0,2,0,0,0,0|1,0,1]=4 379 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 O31714 [0,2,0,0,0,0|2,0,0]=4 380 B11R2.1 CC1=CNC2=C1C=CC=C2 I-9262 [1,0,0,1,0,0|0,0,2]=4 381 B11R2.1 CC1=NNC2=C1C=CC=C2 C-2144 [1,0,0,1,0,0|1,0,1]=4 382 B11R2.1 O=C1NCC2=C1C=CC=C2 I-9101 [1,0,0,1,0,0|1,0,1]=4 383 B11R2.1 OC1CCC2=C1C=CN=C2 S72817 [1,0,0,1,0,0|2,0,0]=4 384 B11R2.4 NC1CC1C2=CC=CC=C2 Q54793 [1,0,0,1,0,0|0,0,0]=2 385 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 L14213 [1,0,0,1,0,0|0,0,0]=2 386 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 L22363 [1,0,0,1,0,0|0,0,0]=2 387 B11R2.40 NC1(C2=CC=CC=C2)CC1 P38187 [1,0,0,1,0,0|1,0,0]=3 388 B11R2.40 NC1(C2=CC=CN=C2)CC1 P37810 [1,0,0,1,0,0|2,0,0]=4 389 B11R2.40 NC1(C2=CC=NC=C2)CC1 G-7840 [1,0,0,1,0,0|2,0,0]=4 390 B11R2.40 NC1(C2=CC=NC=C2)CC1 Q66089 [1,0,0,1,0,0|2,0,0]=4 391 B11R2.40 NC1(C2=NC=CC=C2)CC1 P37811 [1,0,0,1,0,0|2,0,0]=4 392 B11R2.239 C1=CC=C(C2CCN2)C=C1 O28163 [1,0,0,1,0,0|0,0,0]=2 393 B11R2.239 C1=CC=C(C2CNC2)C=C1 10749 [1,0,0,1,0,0|0,0,0]=2 394 B11R2.239 C1=CC=C(C2CNC2)C=C1 M22666 [1,0,0,1,0,0|0,0,0]=2 395 B11R2.239 C1=CN=C(C2CNC2)C=C1 P46398 [1,0,0,1,0,0|1,0,0]=3 396 B11R2.20 C1=CC2=C(C=C1)OCCC2 P37892 [1,0,0,1,0,0|2,0,0]=4 397 B11R2.20 C1=CC2=C(CNCC2)N=C1 G-7019 [1,0,0,1,0,0|1,0,0]=3 398 B11R2.20 C1=CN=C2CCNCC2=C1 I-9982 [1,0,0,1,0,0|1,0,0]=3 399 B11R2.20 C1=NC=C2CCNCC2=C1 P44511 [1,0,0,1,0,0|1,0,0]=3 400 B11R2.20 C1=NC=C2CNCCC2=N1 C-2931 [1,0,0,1,0,0|2,0,0]=4 401 B11R2.20 C1=NC=C2CNCCC2=N1 P51455 [1,0,0,1,0,0|2,0,0]=4 402 B11R2.20 C1=NC=NC2=C1CCNC2 G-6095 [1,0,0,1,0,0|2,0,0]=4 403 B11R2.20 C1=NC=NC2=C1CNCC2 I-9971 [1,0,0,1,0,0|2,0,0]=4 404 B11R2.20 C1=NC=NC2=C1CNCC2 L20044 [1,0,0,1,0,0|2,0,0]=4 405 B11R2.238 C1=CC(CC2CO2)=CC=N1 Q53152 [1,0,0,1,0,0|2,0,0]=4 406 B11R2.238 C1=CC=C(NC2CC2)C=C1 M22854 [1,0,0,1,0,0|2,0,0]=4 407 B11R2.2 C1=CN(C2CCNC2)C=N1 P36888 [0,0,0,1,1,0|2,0,0]=4 408 B11R2.2 C1=CN(C2CCNC2)N=C1 O28303 [0,0,0,1,1,0|2,0,0]=4 409 B11R2.2 C1=CSC(C2CCNC2)=N1 L20680 [0,0,0,1,1,0|2,0,0]=4 410 B11R2.106 CC1CNCC2=CC=NN21 I-9445 [0,0,0,1,1,0|2,0,0]=4 411 B13R2.15 N[C@@H]1CCC[C@H]1C2=CC=CC=C2 L19894 [0,0,0,1,0,1|2,0,0]=4 412 B13R2.15 OC1CCCC1C2=CC=CC=C2 P43293 [0,0,0,1,0,1|2,0,0]=4 413 B13R2.15 O[C@@H]1CNC[C@H]1C2=CC=CC=C2 F-4251 [0,0,0,1,0,1|1,0,0]=3 414 B13R2.15 O[C@@H]1CNC[C@H]1C2=CC=CC=C2 L13344 [0,0,0,1,0,1|1,0,0]=3 415 B13R2.15 O[C@@H]1CNC[C@H]1C2=CC=CC=C2 L22146 [0,0,0,1,0,1|1,0,0]=3 416 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 I-9905 [0,0,0,1,0,1|2,0,0]=4 417 B13R2.64 C1=CC(CC2CCNC2)=CN=C1 L19530 [0,0,0,1,0,1|1,0,0]=3 418 B13R2.64 C1=CC(OC2CCNC2)=CC=N1 P35024 [0,0,0,1,0,1|1,0,0]=3 419 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 O28725 [0,0,0,1,0,1|2,0,0]=4 420 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 O28255 [0,0,0,1,0,1|0,0,0]=2 421 B13R2.64 C1=CC=C(C[C@@H]2CCCN2)C=C1 P34775 [0,0,0,1,0,1|2,0,0]=4 422 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 M23194 [0,0,0,1,0,1|2,0,0]=4 423 B13R2.64 C1=CC=C(OC2CCNC2)C=C1 O28741 [0,0,0,1,0,1|0,0,0]=2 424 B13R2.64 C1=CC=C(O[C@@H]2CCNC2)C=C1 O28826 [0,0,0,1,0,1|0,0,0]=2 425 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 O28815 [0,0,0,1,0,1|0,0,0]=2 426 B13R2.64 C1=CN=C(OC2CCNC2)C=C1 P39333 [0,0,0,1,0,1|1,0,0]=3 427 B13R2.64 C1=CN=C(O[C@@H]2CCNC2)C=C1 O34302 [0,0,0,1,0,1|1,0,0]=3 428 B13R2.64 C1=CN=C(O[C@H]2CCNC2)C=C1 O34304 [0,0,0,1,0,1|1,0,0]=3 429 B13R2.64 C1=CN=CC(OC2CCNC2)=C1 P39561 [0,0,0,1,0,1|1,0,0]=3 430 B13R2.64 C1=CN=CC(O[C@@H]2CCNC2)=C1 P39288 [0,0,0,1,0,1|1,0,0]=3 431 B13R2.64 C1=CN=NC(NC2CCNC2)=C1 L20126 [0,0,0,1,0,1|2,0,0]=4 432 B13R2.221 CC1(OC2=CC=CC=C2)CNC1 O28324 [0,0,0,1,0,1|0,0,0]=2 433 B13R2.221 NC1(CC2=CC=CC=C2)COC1 H-8061 [0,0,0,1,0,1|2,0,0]=4 434 B13R2.221 NC1(CC2=CC=CC=C2)COC1 L13939 [0,0,0,1,0,1|2,0,0]=4 435 B13R2.444 OC(CC1=CC=CC=C1)C2CC2 O29708 [0,0,0,1,0,1|2,0,0]=4 436 B13R2.3 C1=CC(C2CCNCC2)=CC=N1 O31885 [0,1,0,1,0,0|1,0,0]=3 437 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 C-3463 [0,1,0,1,0,0|1,0,1]=4 438 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 Q52055 [0,1,0,1,0,0|0,0,0]=2 439 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 O28572 [0,1,0,1,0,0|0,0,0]=2 440 B13R2.3 C1=CC=C(C2COCCN2)C=C1 B-1093 [0,1,0,1,0,0|1,0,0]=3 441 B13R2.3 C1=CC=C(C2COCCN2)C=C1 O28164 [0,1,0,1,0,0|1,0,0]=3 442 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 P42169 [0,1,0,1,0,0|0,0,0]=2 443 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 B-1095 [0,1,0,1,0,0|1,0,0]=3 444 B13R2.3 C1=CC=C([C@H]2CNCCO2)C=C1 P36312 [0,1,0,1,0,0|0,0,0]=2 445 B13R2.3 C1=CC=C([C@H]2COCCN2)C=C1 B-1094 [0,1,0,1,0,0|1,0,0]=3 446 B13R2.3 C1=CC=C([C@H]2COCCN2)C=C1 O28343 [0,1,0,1,0,0|1,0,0]=3 447 B13R2.3 C1=CN=C(C2CCCNC2)C=C1 F-4839 [0,1,0,1,0,0|1,0,0]=3 448 B13R2.3 C1=CN=CC(C2CCCNC2)=C1 F-4840 [0,1,0,1,0,0|1,0,0]=3 449 B13R2.3 C1=CN=CC(C2CCNCC2)=C1 H-8428 [0,1,0,1,0,0|1,0,0]=3 450 B13R2.3 C1=CN=CC(C2COCCN2)=C1 L19551 [0,1,0,1,0,0|2,0,0]=4 451 B13R2.3 C1=CN=CC(N2CCNCC2)=C1 P36634 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 H-8913 [0,1,0,1,0,0|2,0,0]=4 453 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P45465 [0,1,0,1,0,0|2,0,0]=4 454 B13R2.2539 NCC1(C2=CC=CC=C2)CCC1 P35183 [0,1,0,1,0,0|1,0,0]=3 455 B13R2.2539 NCC1(C2=CC=CC=C2)COC1 G-5841 [0,1,0,1,0,0|1,0,0]=3 456 B13R2.2539 OCC1(C2=CC=CC=C2)COC1 G-6235 [0,1,0,1,0,0|1,0,0]=3 457 B13R2.2931 CN1C=C(CN)C2=CC=CC=C21 L22217 [0,1,0,1,0,0|0,0,2]=4 458 B13R2.2931 CN1N=C(CO)C2=C1C=CC=C2 G-5611 [0,1,0,1,0,0|1,0,1]=4 459 B13R2.12 BrC1=CC=C(C2CCCC2)C=C1 N26374 [0,1,0,1,0,0|1,0,0]=3 460 B13R2.12 BrC1=CC=C(C2CCCN2)C=C1 O28918 [0,1,0,1,0,0|2,0,0]=4 461 B13R2.12 BrC1=CC=C(C2CCNC2)C=C1 P42400 [0,1,0,1,0,0|0,0,0]=2 462 B13R2.12 CC1=CC=C(C2CCNC2)C=C1 P35291 [0,1,0,1,0,0|0,0,0]=2 463 B13R2.12 ClC1=CC=C(C2CCCN2)C=C1 O28942 [0,1,0,1,0,0|2,0,0]=4 464 B13R2.12 ClC1=CC=C(C2CCNC2)C=C1 P42312 [0,1,0,1,0,0|0,0,0]=2 465 B13R2.12 FC1=CC=C(C2CCNC2)C=C1 P41230 [0,1,0,1,0,0|0,0,0]=2 466 B13R2.12 NC1=CC=C(C2CCCC2)C=C1 O31238 [0,1,0,1,0,0|1,0,0]=3 467 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 P39241 [0,1,0,1,0,0|2,0,0]=4 468 B13R2.12 OC1=CC=C(C2CCNC2)C=C1 L20440 [0,1,0,1,0,0|0,0,0]=2 469 B13R2.147 FC1CC(C2=CC=C(Br)C=C2)C1 P43353 [0,1,0,1,0,0|2,0,0]=4 470 B13R2.147 NC1=CC=C(C2CC(F)C2)C=C1 P43350 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 P39325 [0,1,0,1,0,0|2,0,0]=4 472 B13R2.520 NC(C1=CC=C(Br)C=C1)C2CC2 P35218 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.520 NC(C1=CC=C(Cl)C=C1)C2CC2 P42133 [0,1,0,1,0,0|2,0,0]=4 474 B13R2.520 NC(C1=CC=C(F)C=C1)C2CC2 P36527 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.2986 CC1(C2=CC=C(Br)C=C2)COC1 G-7443 [0,1,0,1,0,0|1,0,0]=3 476 B13R2.2986 CC1(C2=CC=C(N)C=C2)COC1 L13420 [0,1,0,1,0,0|1,0,0]=3 477 B13R2.2986 CC1(C2=CN=C(Cl)C=C2)CCC1 Q53282 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.2986 FC1(C2=CC=C(Br)C=C2)CNC1 M22602 [0,1,0,1,0,0|1,0,0]=3 479 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CCC1 P42373 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.2986 NC1(C2=CC=C(Br)C=C2)COC1 P48686 [0,1,0,1,0,0|2,0,0]=4 481 B13R2.2986 NC1(C2=CC=C(Cl)C=C2)COC1 L21535 [0,1,0,1,0,0|2,0,0]=4 482 B13R2.2986 NC1(C2=CC=C(F)C=C2)CCC1 P42233 [0,1,0,1,0,0|2,0,0]=4 483 B13R2.2986 NC1(C2=CC=C(F)C=C2)COC1 L13136 [0,1,0,1,0,0|2,0,0]=4 484 B13R2.2986 OC1(C2=CC=C(Br)C=C2)CCC1 N24769 [0,1,0,1,0,0|2,0,0]=4 485 B13R2.2986 OC1(C2=CC=C(Br)C=C2)COC1 G-6610 [0,1,0,1,0,0|2,0,0]=4 486 B13R2.2986 OC1(C2=CC=C(F)C=C2)CNC1 P35829 [0,1,0,1,0,0|1,0,0]=3 487 B13R2.5179 CC1CNCC2=C1C=CC(Br)=C2 O33367 [0,1,0,1,0,0|0,0,0]=2 488 B13R2.5179 N[C@@H]1COCC2=C1C=CC(Cl)=C2 P43715 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.5179 N[C@H]1COCC2=C1C=CC(Cl)=C2 P43716 [0,1,0,1,0,0|2,0,0]=4 490 B13R2.5187 CC1=CN(C)C2=C1C=CC(N)=C2 L22080 [0,1,0,1,0,0|0,0,2]=4 491 B13R2.5187 CC1=NN(C)C2=C1C=C(Br)C=C2 G-5462 [0,1,0,1,0,0|1,0,1]=4 492 B13R2.5187 CC1=NN(C)C2=C1C=C(N)C=C2 I-9972 [0,1,0,1,0,0|1,0,1]=4 493 B13R2.5187 CC1=NN(C)C2=C1C=CC(Br)=C2 G-5464 [0,1,0,1,0,0|1,0,1]=4 494 B13R2.5187 CC1=NN(C)C2=C1C=CC(N)=C2 C-2142 [0,1,0,1,0,0|1,0,1]=4 495 B13R2.13 BrC1=CC(C2CCCN2)=CC=C1 P38404 [0,1,0,1,0,0|2,0,0]=4 496 B13R2.13 BrC1=CC(C2CCNC2)=CC=C1 P42725 [0,1,0,1,0,0|0,0,0]=2 497 B13R2.13 BrC1=CC=CC(C2CCCC2)=C1 Q68169 [0,1,0,1,0,0|1,0,0]=3 498 B13R2.13 CC1=CC(C2CCCN2)=CC=C1 P36423 [0,1,0,1,0,0|2,0,0]=4 499 B13R2.13 CC1=CC(C2CCNC2)=CC=C1 P34842 [0,1,0,1,0,0|0,0,0]=2 500 B13R2.13 ClC1=CC(C2CCCN2)=CC=C1 P38981 [0,1,0,1,0,0|2,0,0]=4 501 B13R2.13 ClC1=CC(C2CCNC2)=CC=C1 P35149 [0,1,0,1,0,0|0,0,0]=2 502 B13R2.13 FC1=CC(C2CCCN2)=CC=C1 P38982 [0,1,0,1,0,0|2,0,0]=4 503 B13R2.13 FC1=CC(C2CCNC2)=CC=C1 P42061 [0,1,0,1,0,0|0,0,0]=2 504 B13R2.13 NC1=CC=CC(N2CCCC2)=C1 P42510 [0,1,0,1,0,0|2,0,0]=4 505 B13R2.151 FC1CC(C2=CC(Br)=CC=C2)C1 P43348 [0,1,0,1,0,0|2,0,0]=4 506 B13R2.151 NC1=CC=CC(C2CC(F)C2)=C1 P43352 [0,1,0,1,0,0|2,0,0]=4 507 B13R2.162 CC1CNCC2=CC=C(Br)C=C21 P50221 [0,1,0,1,0,0|0,0,0]=2 508 B13R2.3018 CC1(C2=CC=CC(Br)=C2)COC1 G-7459 [0,1,0,1,0,0|1,0,0]=3 509 B13R2.3018 NC1(C2=CC=CC(Br)=C2)COC1 G-6301 [0,1,0,1,0,0|2,0,0]=4 510 B13R2.3018 NC1(C2=CC=CC(Cl)=C2)COC1 G-7438 [0,1,0,1,0,0|2,0,0]=4 511 B13R2.3018 NC1(C2=CC=CC(F)=C2)COC1 G-7439 [0,1,0,1,0,0|2,0,0]=4 512 B13R2.3018 OC1(C2=CC=CC(Br)=C2)CCC1 N26798 [0,1,0,1,0,0|2,0,0]=4 513 B13R2.3018 OC1(C2=CC=CC(Br)=C2)COC1 P48479 [0,1,0,1,0,0|2,0,0]=4 514 B13R2.4857 CC1=NN(C)C2=C1C(Br)=CC=C2 L14441 [0,1,0,1,0,0|1,0,1]=4 515 B13R2.4857 CC1=NN(C)C2=C1C=CC=C2Br G-5465 [0,1,0,1,0,0|1,0,1]=4 516 B13R2.223 NC1(C2=CC=CC=C2)CCCC1 P40537 [0,1,0,1,0,0|1,0,0]=3 517 B13R2.223 OC1(C2=CC=CC=C2)CCNC1 O28325 [0,1,0,1,0,0|0,0,0]=2 518 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 O34324 [0,1,0,1,0,0|2,0,0]=4 519 B13R2.8137 N[C@@H](C1=CC=CC=C1)C2CCC2 P51530 [0,1,0,1,0,0|2,0,0]=4 520 B13R2.32 CN1C(=O)NCC2=C1C=CC=C2 H-8618 [0,1,0,1,0,0|1,0,1]=4 521 B13R2.3085 CN1C(=O)N(C)C2=CC=CC=C21 O30178 [0,1,0,1,0,0|1,0,1]=4 522 B13R2.238 NC1CC(O)(C2=CC=CC=C2)C1 P50557 [0,1,0,1,0,0|2,0,0]=4 523 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 Q56881 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 L22498 [0,1,0,1,0,0|2,0,0]=4 525 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 O33398 [0,1,0,1,0,0|2,0,0]=4 526 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 O33360 [0,1,0,1,0,0|2,0,0]=4 527 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 O34527 [0,1,0,1,0,0|2,0,0]=4 528 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 O32985 [0,1,0,1,0,0|2,0,0]=4 529 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 O33621 [0,1,0,1,0,0|2,0,0]=4 530 B13R2.18 BrC1=CC=CC=C1C2CCCN2 P41785 [0,1,0,1,0,0|2,0,0]=4 531 B13R2.18 BrC1=CC=CC=C1C2CCNC2 P42317 [0,1,0,1,0,0|0,0,0]=2 532 B13R2.18 CC1=CC=CC=C1C2CCCN2 P41786 [0,1,0,1,0,0|2,0,0]=4 533 B13R2.18 CC1=CC=CC=C1C2CCNC2 P34841 [0,1,0,1,0,0|0,0,0]=2 534 B13R2.18 ClC1=CC=CC=C1C2CCCN2 P41787 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.18 ClC1=CC=CC=C1C2CCNC2 O34428 [0,1,0,1,0,0|0,0,0]=2 536 B13R2.18 FC1=CC=CC=C1C2CCCN2 P36424 [0,1,0,1,0,0|2,0,0]=4 537 B13R2.18 FC1=CC=CC=C1C2CCNC2 P35451 [0,1,0,1,0,0|0,0,0]=2 538 B13R2.18 NC1=CC=CC=C1C2CCCC2 O32004 [0,1,0,1,0,0|1,0,0]=3 539 B13R2.18 NC1=CC=CC=C1N2CCCC2 P39710 [0,1,0,1,0,0|2,0,0]=4 540 B13R2.4818 CN1CCCC2=C1C(O)=CC=C2 F-4887 [0,1,0,1,0,0|2,0,0]=4 541 B9R1.11 NCC(O)C1=CC=CO1 P39131 [1,0,0,0,1,0|2,0,0]=4 542 B9R1.12 CNCCC1=CC=CS1 P42768 [1,0,0,0,1,0|1,0,0]=3 543 B9R1.12 CNCCN1C=CC=N1 P34875 [1,0,0,0,1,0|2,0,0]=4 544 B13R1.42 CCCC(C)CNC1=CC=CN=C1 Q58267 [0,0,0,0,0,2|2,0,0]=4