0 B13R2.10 CC1=NN=C(O1)C2=CC=CC=C2 Z57234656 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.10 CC1=NNC(=C1)C2=CC=CC=C2 Z56791141 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.10 CC1=NNC(=N1)C2=CC=CC=C2 Z385478582 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.10 CC1CC(CN1)C2=CC=CC=C2 Z1203620755 [0,0,0,0,0,0|2,0,2]=4 4 B13R2.10 ClC1=CN(C=N1)C2=CC=CC=C2 Z1245633438 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.10 ClC1=NC=C(S1)C2=CC=CC=C2 Z1037582642 [0,0,0,0,0,0|1,1,2]=4 6 B13R2.10 ClC1=NN=C(S1)C2=CC=CC=C2 Z227963882 [0,0,0,0,0,0|2,1,1]=4 7 B13R2.10 NC1=CC(=NO1)C2=CC=CC=C2 Z164676856 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.10 NC1=CN(N=C1)C2=CC=CC=C2 Z381353862 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.10 NC1=CN=C(O1)C2=CC=CC=C2 Z164670576 [0,0,0,0,0,0|2,0,1]=3 10 B13R2.10 NC1=CN=C(S1)C2=CC=CC=C2 Z951517348 [0,0,0,0,0,0|2,1,1]=4 11 B13R2.10 NC1=NC(=CO1)C2=CC=CC=C2 Z939904558 [0,0,0,0,0,0|2,0,2]=4 12 B13R2.10 NC1=NC(=CS1)C2=CC=CC=C2 Z48847603 [0,0,0,0,0,0|2,0,2]=4 13 B13R2.10 NC1=NC(=NN1)C2=CC=CC=C2 Z1891772907 [0,0,0,0,0,0|2,0,2]=4 14 B13R2.10 NC1=NC(=NO1)C2=CC=CC=C2 Z57454949 [0,0,0,0,0,0|3,0,1]=4 15 B13R2.10 NC1=NC(=NS1)C2=CC=CC=C2 Z431702624 [0,0,0,0,0,0|3,0,1]=4 16 B13R2.10 NC1=NC(CO1)C2=CC=CC=C2 Z1262629910 [0,0,0,0,0,0|2,0,0]=2 17 B13R2.10 NC1=NC=C(N1)C2=CC=CC=C2 Z1198173209 [0,0,0,0,0,0|1,0,2]=3 18 B13R2.10 NC1=NC=C(S1)C2=CC=CC=C2 Z235540446 [0,0,0,0,0,0|0,1,2]=3 19 B13R2.10 NC1=NC=C(S1)C2=CC=NC=C2 Z5256821507 [0,0,0,0,0,0|1,1,2]=4 20 B13R2.10 NC1=NC=C(S1)C2=CN=CC=C2 Z732776032 [0,0,0,0,0,0|1,1,2]=4 21 B13R2.10 NC1=NC=C(S1)C2=NC=CC=C2 Z1143356126 [0,0,0,0,0,0|1,1,2]=4 22 B13R2.10 NC1=NCC(N1)C2=CC=CC=C2 Z4461628926 [0,0,0,0,0,0|1,0,0]=1 23 B13R2.10 NC1=NN(C=C1)C2=CC=CC=C2 Z271098778 [0,0,0,0,0,0|3,0,1]=4 24 B13R2.10 NC1=NN(C=N1)C2=CN=CC=C2 Z1147229860 [0,0,0,0,0,0|3,0,1]=4 25 B13R2.10 NC1=NN(CC1)C2=CC=CC=C2 Z57473788 [0,0,0,0,0,0|3,0,0]=3 26 B13R2.10 NC1=NN=C(N1)C2=CN=CC=C2 Z119990322 [0,0,0,0,0,0|3,0,1]=4 27 B13R2.10 NC1=NN=C(N1)C2=NC=CC=C2 Z285159064 [0,0,0,0,0,0|3,0,1]=4 28 B13R2.10 NC1=NN=C(O1)C2=CC=CC=C2 Z56788716 [0,0,0,0,0,0|1,0,1]=2 29 B13R2.10 NC1=NN=C(O1)C2=CC=NC=C2 Z285233812 [0,0,0,0,0,0|2,0,1]=3 30 B13R2.10 NC1=NN=C(S1)C2=CC=CC=C2 Z57148448 [0,0,0,0,0,0|1,1,1]=3 31 B13R2.10 NC1=NN=C(S1)C2=CC=NC=C2 Z199511592 [0,0,0,0,0,0|2,1,1]=4 32 B13R2.10 NC1=NN=C(S1)C2=CN=CC=C2 Z119990274 [0,0,0,0,0,0|2,1,1]=4 33 B13R2.10 NC1=NN=C(S1)C2=NC=CC=C2 Z332385358 [0,0,0,0,0,0|2,1,1]=4 34 B13R2.10 NC1=NOC(=C1)C2=CC=CC=C2 Z1020945160 [0,0,0,0,0,0|2,0,1]=3 35 B13R2.10 NC1=NOC(=N1)C2=CC=CC=C2 Z56791884 [0,0,0,0,0,0|2,0,1]=3 36 B13R2.10 NC1=NSC(=N1)C2=CC=CC=C2 Z1198151495 [0,0,0,0,0,0|2,0,1]=3 37 B13R2.10 NC1CCC(C1)C2=CC=CC=C2 Z1947438117 [0,0,0,0,0,0|2,0,1]=3 38 B13R2.10 NC1CCN(C1)C2=CC=CC=C2 Z415647888 [0,0,0,0,0,0|3,0,1]=4 39 B13R2.10 NC1COC(C1)C2=CC=CC=C2 Z4657508784 [0,0,0,0,0,0|3,0,1]=4 40 B13R2.10 O=C1C=C(CC1)C2=CC=CC=C2 Z1255492482 [0,0,0,0,0,0|3,0,1]=4 41 B13R2.10 O=C1C=C(CO1)C2=CC=CC=C2 Z1862024981 [0,0,0,0,0,0|3,0,1]=4 42 B13R2.10 O=C1CC(CN1)C2=CC=CC=C2 Z954601980 [0,0,0,0,0,0|2,0,1]=3 43 B13R2.10 O=C1CC(CN1)C2=CC=NC=C2 Z1251360630 [0,0,0,0,0,0|3,0,1]=4 44 B13R2.10 O=C1CC(CN1)C2=CN=CC=C2 Z1201628825 [0,0,0,0,0,0|3,0,1]=4 45 B13R2.10 O=C1CC(CO1)C2=CC=CC=C2 Z1551943626 [0,0,0,0,0,0|3,0,0]=3 46 B13R2.10 O=C1CCN(C1)C2=CC=CC=C2 Z234894137 [0,0,0,0,0,0|4,0,0]=4 47 B13R2.10 O=C1CCN(N1)C2=CC=CC=C2 Z104472448 [0,0,0,0,0,0|4,0,0]=4 48 B13R2.10 O=C1NC(CO1)C2=CC=CC=C2 Z57199626 [0,0,0,0,0,0|3,0,0]=3 49 B13R2.10 O=C1NCC(N1)C2=CC=CC=C2 Z1255433877 [0,0,0,0,0,0|2,0,1]=3 50 B13R2.10 OC1=CN(N=N1)C2=CC=CC=C2 Z104341266 [0,0,0,0,0,0|4,0,0]=4 51 B13R2.10 OC1=NN=C(O1)C2=CC=CC=C2 Z57663553 [0,0,0,0,0,0|2,0,1]=3 52 B13R2.10 OC1=NOC(=C1)C2=CC=CC=C2 Z1255465500 [0,0,0,0,0,0|3,0,1]=4 53 B13R2.10 SC1=NC=C(O1)C2=CC=CC=C2 Z498514660 [0,0,0,0,0,0|1,0,2]=3 54 B13R2.10 SC1=NN(C=N1)C2=CC=CC=C2 Z221577430 [0,0,0,0,0,0|3,0,1]=4 55 B13R2.10 SC1=NN=C(O1)C2=CC=CC=C2 Z55879312 [0,0,0,0,0,0|2,0,1]=3 56 B13R2.10 SC1=NN=C(O1)C2=CC=NC=C2 Z55879305 [0,0,0,0,0,0|3,0,1]=4 57 B13R2.10 SC1=NN=C(O1)C2=CN=CC=C2 Z55879316 [0,0,0,0,0,0|3,0,1]=4 58 B13R2.10 SC1=NN=C(O1)C2=NC=CC=C2 Z55879306 [0,0,0,0,0,0|3,0,1]=4 59 B13R2.10 SC1=NN=C(S1)C2=CC=CC=C2 Z1123806435 [0,0,0,0,0,0|2,1,1]=4 60 B12R2.2 C1=CC(=CC=N1)C2=CN=CO2 Z1201618990 [1,0,0,0,0,0|1,0,2]=4 61 B12R2.2 C1=CC(=CC=N1)C2=NN=CO2 Z55670791 [1,0,0,0,0,0|2,0,1]=4 62 B12R2.2 C1=CC(=CN=C1)C2=NN=CO2 Z55670803 [1,0,0,0,0,0|2,0,1]=4 63 B12R2.2 C1=CC=C(C=C1)C2=CC=NN2 Z1224534135 [1,0,0,0,0,0|2,0,1]=4 64 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 Z1201618668 [1,0,0,0,0,0|0,0,2]=3 65 B12R2.2 C1=CC=C(C=C1)C2=NN=CO2 Z55670800 [1,0,0,0,0,0|1,0,1]=3 66 B12R2.2 C1=CC=C(C=C1)C2CCCN2 Z223138744 [1,0,0,0,0,0|2,0,1]=4 67 B12R2.2 C1=CC=C(C=C1)C2CCNC2 Z926900322 [1,0,0,0,0,0|1,0,2]=4 68 B12R2.2 C1=CC=C(C=C1)N2C=CN=C2 Z440825046 [1,0,0,0,0,0|2,0,1]=4 69 B12R2.2 C1=CC=C(C=C1)N2C=CN=N2 Z1198181362 [1,0,0,0,0,0|3,0,0]=4 70 B12R2.2 C1=CC=C(C=C1)N2C=NC=N2 Z1198156169 [1,0,0,0,0,0|2,0,1]=4 71 B14R2.8 CNC1=NC=C(S1)C2=CC=CC=C2 Z1037583260 [0,1,0,0,0,0|0,1,2]=4 72 B14R2.8 CNC1=NN=C(O1)C2=CC=CC=C2 Z1509142797 [0,1,0,0,0,0|1,0,1]=3 73 B14R2.8 CNC1=NN=C(S1)C2=CC=CC=C2 Z1274177422 [0,1,0,0,0,0|1,1,1]=4 74 B14R2.8 CNC1=NNC(=C1)C2=CC=CC=C2 Z1021411592 [0,1,0,0,0,0|2,0,1]=4 75 B14R2.8 ClCC1=NC=C(O1)C2=CC=CC=C2 Z57046996 [0,1,0,0,0,0|1,0,2]=4 76 B14R2.8 N#CC1=NN=C(O1)C2=CC=CC=C2 Z1742148362 [0,1,0,0,0,0|1,0,2]=4 77 B14R2.8 NCC1=CC=C(O1)C2=CC=CC=C2 Z316119992 [0,1,0,0,0,0|1,0,2]=4 78 B14R2.8 NCC1=CN(N=N1)C2=CC=CC=C2 Z1381260618 [0,1,0,0,0,0|3,0,0]=4 79 B14R2.8 NCC1=NC=C(O1)C2=CC=CC=C2 Z1891774998 [0,1,0,0,0,0|0,0,2]=3 80 B14R2.8 NCC1=NN(C=N1)C2=CC=CC=C2 Z2217316104 [0,1,0,0,0,0|2,0,1]=4 81 B14R2.8 NCC1=NN=C(S1)C2=CC=CC=C2 Z1429360963 [0,1,0,0,0,0|1,1,1]=4 82 B14R2.8 NCC1=NOC(=N1)C2=CC=CC=C2 Z111582996 [0,1,0,0,0,0|2,0,1]=4 83 B14R2.8 NCC1CCC(C1)C2=CC=CC=C2 Z2216314446 [0,1,0,0,0,0|2,0,1]=4 84 B14R2.8 NC[C@H]1CC[C@@H](O1)C2=CC=CC=C2 Z2146513810 [0,1,0,0,0,0|1,0,1]=3 85 B14R2.8 NC[C@H]1CC[C@H](O1)C2=CC=CC=C2 Z2160914657 [0,1,0,0,0,0|1,0,1]=3 86 B14R2.8 OCC1=NC=C(O1)C2=CC=CC=C2 Z431953252 [0,1,0,0,0,0|1,0,2]=4 87 B14R2.8 OCC1=NN=C(O1)C2=CC=CC=C2 Z431953302 [0,1,0,0,0,0|2,0,1]=4 88 B14R2.8 OCC1CCC(O1)C2=CC=CC=C2 Z1896321666 [0,1,0,0,0,0|2,0,1]=4 89 B14R2.20 CC1=CC=C(C=C1)C2=CN=C(S2)N Z57212937 [0,1,0,0,0,0|0,1,2]=4 90 B14R2.20 CC1=CC=C(C=C1)C2=NC(=NN2)N Z57170086 [0,1,0,0,0,0|2,0,1]=4 91 B14R2.20 CC1=CC=C(C=C1)C2=NN=C(O2)N Z285233836 [0,1,0,0,0,0|1,0,1]=3 92 B14R2.20 CC1=CC=C(C=C1)C2=NN=C(O2)S Z56979372 [0,1,0,0,0,0|2,0,1]=4 93 B14R2.20 CC1=CC=C(C=C1)C2CNC(=O)C2 Z1251360848 [0,1,0,0,0,0|2,0,1]=4 94 B14R2.20 CC1=NC=C(O1)C2=CC=C(C=C2)N Z235352197 [0,1,0,0,0,0|1,0,2]=4 95 B14R2.20 CC1=NN=C(O1)C2=CC=C(C=C2)N Z440640456 [0,1,0,0,0,0|2,0,1]=4 96 B14R2.20 FC1=CC=C(C=C1)C2=CN=C(O2)S Z212055570 [0,1,0,0,0,0|1,0,2]=4 97 B14R2.20 FC1=CC=C(C=C1)C2=NN=C(O2)S Z55879310 [0,1,0,0,0,0|2,0,1]=4 98 B14R2.20 NC1=CC=C(C=C1)C2=NN=C(O2)S Z90344946 [0,1,0,0,0,0|2,0,1]=4 99 B14R2.20 NC1=CC=C(C=C1)C2CCC(=O)N2 Z1258979785 [0,1,0,0,0,0|3,0,0]=4 100 B14R2.20 NC1=CC=C(C=C1)C2CNC(=O)C2 Z1255362676 [0,1,0,0,0,0|2,0,1]=4 101 B14R2.20 NC1=NC=C(N1)C2=CC=C(C=C2)Br Z1203159661 [0,1,0,0,0,0|1,0,2]=4 102 B14R2.20 NC1=NC=C(N1)C2=CC=C(C=C2)F Z1198173214 [0,1,0,0,0,0|1,0,2]=4 103 B14R2.20 NC1=NC=C(S1)C2=CC=C(C=C2)Br Z57969174 [0,1,0,0,0,0|0,1,2]=4 104 B14R2.20 NC1=NC=C(S1)C2=CC=C(C=C2)Cl Z732776068 [0,1,0,0,0,0|0,1,2]=4 105 B14R2.20 NC1=NC=C(S1)C2=CC=C(C=C2)F Z732776460 [0,1,0,0,0,0|0,1,2]=4 106 B14R2.20 NC1=NC=C(S1)C2=CC=C(C=C2)O Z4500306976 [0,1,0,0,0,0|0,1,2]=4 107 B14R2.20 NC1=NCC(O1)C2=CC=C(C=C2)Cl Z1198155407 [0,1,0,0,0,0|0,0,0]=1 108 B14R2.20 NC1=NN(C=N1)C2=CC=C(C=C2)F Z2235790608 [0,1,0,0,0,0|2,0,1]=4 109 B14R2.20 NC1=NN(C=N1)C2=CC=C(C=C2)O Z1650031679 [0,1,0,0,0,0|2,0,1]=4 110 B14R2.20 NC1=NN=C(N1)C2=CC=C(C=C2)Br Z594038068 [0,1,0,0,0,0|2,0,1]=4 111 B14R2.20 NC1=NN=C(O1)C2=CC=C(C=C2)Cl Z56886272 [0,1,0,0,0,0|1,0,1]=3 112 B14R2.20 NC1=NN=C(O1)C2=CC=C(C=C2)O Z1198153882 [0,1,0,0,0,0|1,0,1]=3 113 B14R2.20 NC1=NN=C(O1)C2=NC=C(C=C2)Br Z1065596916 [0,1,0,0,0,0|2,0,1]=4 114 B14R2.20 NC1=NN=C(S1)C2=CC=C(C=C2)Cl Z57148446 [0,1,0,0,0,0|1,1,1]=4 115 B14R2.20 NC1=NNC(=C1)C2=CC=C(C=C2)I Z1266823213 [0,1,0,0,0,0|2,0,1]=4 116 B14R2.20 NC1=NNC(=C1)C2=CC=C(C=C2)O Z1575304439 [0,1,0,0,0,0|2,0,1]=4 117 B14R2.20 NC1=NOC(=N1)C2=CC=C(C=C2)Br Z1147463157 [0,1,0,0,0,0|2,0,1]=4 118 B14R2.20 NC1=NOC(=N1)C2=CC=C(C=C2)Cl Z1147463178 [0,1,0,0,0,0|2,0,1]=4 119 B14R2.20 NC1CCC(C1)C2=CC=C(C=C2)Cl Z2256130470 [0,1,0,0,0,0|2,0,1]=4 120 B14R2.20 O=C1CC(CN1)C2=CC=C(C=C2)Br Z1269215863 [0,1,0,0,0,0|2,0,1]=4 121 B14R2.20 O=C1CC(CN1)C2=CC=C(C=C2)F Z1198162881 [0,1,0,0,0,0|2,0,1]=4 122 B14R2.20 O=C1CCC(N1)C2=CC=C(C=C2)Br Z1269201959 [0,1,0,0,0,0|3,0,0]=4 123 B14R2.20 O=C1CCC(N1)C2=CC=C(C=C2)F Z1255385257 [0,1,0,0,0,0|3,0,0]=4 124 B14R2.20 O=C1NC(CO1)C2=CC=C(C=C2)Br Z1266873491 [0,1,0,0,0,0|3,0,0]=4 125 B14R2.20 SC1=NC=C(O1)C2=CC=C(C=C2)Cl Z212055566 [0,1,0,0,0,0|1,0,2]=4 126 B14R2.20 SC1=NN=C(O1)C2=CC=C(C=C2)Br Z55879307 [0,1,0,0,0,0|2,0,1]=4 127 B14R2.20 SC1=NN=C(O1)C2=CC=C(C=C2)Cl Z55879317 [0,1,0,0,0,0|2,0,1]=4 128 B14R2.22 CC1=CC(=CC=C1)C2=CN=C(S2)N Z732777116 [0,1,0,0,0,0|0,1,2]=4 129 B14R2.22 CC1=CC(=CC=C1)C2=NN=C(O2)S Z56347395 [0,1,0,0,0,0|2,0,1]=4 130 B14R2.22 CC1=CC(=CC=C1)C2=NN=C(S2)N Z57148449 [0,1,0,0,0,0|1,1,1]=4 131 B14R2.22 CC1=CC(=CC=C1)C2CNC(=O)C2 Z1251360847 [0,1,0,0,0,0|2,0,1]=4 132 B14R2.22 CC1=NN=C(O1)C2=CC(=CC=C2)N Z440640454 [0,1,0,0,0,0|2,0,1]=4 133 B14R2.22 NC1=CC(=CC=C1)C2CCC(=O)N2 Z1258979783 [0,1,0,0,0,0|3,0,0]=4 134 B14R2.22 NC1=CC(=CC=C1)C2CNC(=O)C2 Z1255401112 [0,1,0,0,0,0|2,0,1]=4 135 B14R2.22 NC1=NC=C(S1)C2=CC(=CC=C2)Cl Z784880462 [0,1,0,0,0,0|0,1,2]=4 136 B14R2.22 NC1=NN(CC1)C2=CC(=CC=C2)Cl Z1262622749 [0,1,0,0,0,0|3,0,0]=4 137 B14R2.22 NC1=NN=C(N1)C2=CC(=CC=C2)Br Z111411712 [0,1,0,0,0,0|2,0,1]=4 138 B14R2.22 NC1=NN=C(N1)C2=CC(=CC=C2)F Z285159020 [0,1,0,0,0,0|2,0,1]=4 139 B14R2.22 NC1=NN=C(O1)C2=CC(=CC=C2)Br Z56950517 [0,1,0,0,0,0|1,0,1]=3 140 B14R2.22 NC1=NN=C(O1)C2=CC(=CC=C2)Cl Z285233794 [0,1,0,0,0,0|1,0,1]=3 141 B14R2.22 NC1=NN=C(O1)C2=CC(=CC=C2)F Z285233852 [0,1,0,0,0,0|1,0,1]=3 142 B14R2.22 NC1=NN=C(O1)C2=CC(=CN=C2)Br Z362779682 [0,1,0,0,0,0|2,0,1]=4 143 B14R2.22 NC1=NN=C(S1)C2=CC(=CC=C2)Cl Z332385248 [0,1,0,0,0,0|1,1,1]=4 144 B14R2.22 NC1=NN=C(S1)C2=CC(=CC=C2)F Z332385276 [0,1,0,0,0,0|1,1,1]=4 145 B14R2.22 NC1=NN=C(S1)C2=CC(=CC=C2)O Z332385206 [0,1,0,0,0,0|1,1,1]=4 146 B14R2.22 NC1=NOC(=C1)C2=CC(=CC=C2)F Z1270451489 [0,1,0,0,0,0|2,0,1]=4 147 B14R2.22 NC1=NOC(=N1)C2=CC(=CC=C2)Br Z1147463129 [0,1,0,0,0,0|2,0,1]=4 148 B14R2.22 NC1=NOC(=N1)C2=CC(=CC=C2)F Z1147463020 [0,1,0,0,0,0|2,0,1]=4 149 B14R2.22 NC1CCC(C1)C2=CC(=CC=C2)Cl Z2240998878 [0,1,0,0,0,0|2,0,1]=4 150 B14R2.22 O=C1CC(CN1)C2=CC=CC(=C2)Cl Z1198266545 [0,1,0,0,0,0|2,0,1]=4 151 B14R2.22 O=C1CC(CN1)C2=CC=CC(=C2)F Z963404492 [0,1,0,0,0,0|2,0,1]=4 152 B14R2.22 SC1=NC=C(O1)C2=CC(=CC=C2)Br Z3226405931 [0,1,0,0,0,0|1,0,2]=4 153 B14R2.22 SC1=NN=C(O1)C2=CC(=CC=C2)Br Z85921057 [0,1,0,0,0,0|2,0,1]=4 154 B14R2.22 SC1=NN=C(O1)C2=CC(=CC=C2)Cl Z55879411 [0,1,0,0,0,0|2,0,1]=4 155 B14R2.256 CC1=C(C=CC=C1)C2=CN=C(S2)N Z732776424 [0,1,0,0,0,0|0,1,2]=4 156 B14R2.256 CC1=C(C=CC=C1)C2=NN=C(N2)N Z744754768 [0,1,0,0,0,0|2,0,1]=4 157 B14R2.256 CC1=C(C=CC=C1)C2=NN=C(O2)N Z285233846 [0,1,0,0,0,0|1,0,1]=3 158 B14R2.256 CC1=C(C=CC=C1)C2=NN=C(O2)S Z56347055 [0,1,0,0,0,0|2,0,1]=4 159 B14R2.256 CC1=C(C=CC=C1)C2CNC(=O)C2 Z979035286 [0,1,0,0,0,0|2,0,1]=4 160 B14R2.256 CC1=NN/C(=C/2\C=CC=CC2=N)/O1 Z415636646 [0,1,0,0,0,0|2,0,1]=4 161 B14R2.256 CC1=NN=C(O1)C2=C(C=CC=C2)F Z104068532 [0,1,0,0,0,0|2,0,1]=4 162 B14R2.256 FC1=C(C=CC=C1)C2=NN=C(O2)S Z55879338 [0,1,0,0,0,0|2,0,1]=4 163 B14R2.256 NC1=C(C=CC=C1)C2CCC(=O)N2 Z2692093593 [0,1,0,0,0,0|3,0,0]=4 164 B14R2.256 NC1=C(C=CC=C1)C2CNC(=O)C2 Z3242235283 [0,1,0,0,0,0|2,0,1]=4 165 B14R2.256 NC1=NC=C(S1)C2=C(C=CC=C2)F Z992241456 [0,1,0,0,0,0|0,1,2]=4 166 B14R2.256 NC1=NN=C(N1)C2=C(C=CC=C2)Br Z104346776 [0,1,0,0,0,0|2,0,1]=4 167 B14R2.256 NC1=NN=C(N1)C2=C(C=CC=C2)Cl Z1245633261 [0,1,0,0,0,0|2,0,1]=4 168 B14R2.256 NC1=NN=C(O1)C2=C(C=NC=C2)F Z1251272846 [0,1,0,0,0,0|2,0,1]=4 169 B14R2.256 NC1=NN=C(S1)C2=C(C=CC=C2)Cl Z332385230 [0,1,0,0,0,0|1,1,1]=4 170 B14R2.256 NC1=NOC(=C1)C2=C(C=CC=C2)Cl Z1270451665 [0,1,0,0,0,0|2,0,1]=4 171 B14R2.256 NC1=NOC(=N1)C2=C(C=CC=C2)Cl Z1147463083 [0,1,0,0,0,0|2,0,1]=4 172 B14R2.256 NC1=NOC(=N1)C2=C(C=CC=C2)F Z1147463179 [0,1,0,0,0,0|2,0,1]=4 173 B14R2.256 O=C1NC(CO1)C2=C(C=CC=C2)I Z2182109334 [0,1,0,0,0,0|3,0,0]=4 174 B14R2.256 SC1=NN=C(O1)C2=C(C=CC=C2)Br Z55879309 [0,1,0,0,0,0|2,0,1]=4 175 B14R2.256 SC1=NN=C(O1)C2=C(C=CC=C2)Cl Z55879308 [0,1,0,0,0,0|2,0,1]=4 176 B14R2.260 O=C1CC(CC1=O)C2=CC=CC=C2 Z1513607985 [0,1,0,0,0,0|3,0,0]=4 177 B14R2.260 O=C1NC(CC1O)C2=CC=CC=C2 Z1509163936 [0,1,0,0,0,0|3,0,0]=4 178 B14R2.598 CC1=C(SC(=N1)N)C2=CC=CC=C2 Z48847500 [0,1,0,0,0,0|0,1,2]=4 179 B14R2.598 CC1=NC(=NN1C2=CC=CC=C2)N Z1262627035 [0,1,0,0,0,0|2,0,1]=4 180 B14R2.598 O=C1NC(=O)C(O1)C2=CC=CC=C2 Z1198149953 [0,1,0,0,0,0|1,0,2]=4 181 B14R2.2950 CC1(CNC(=O)C1)C2=CC=CC=C2 Z1263715001 [0,1,0,0,0,0|2,0,1]=4 182 B14R2.2950 CC1(CNC(=O)N1)C2=CC=CC=C2 Z1509151367 [0,1,0,0,0,0|2,0,1]=4 183 B14R2.2950 CC1(NN=C(S1)N)C2=CC=CC=C2 Z235324689 [0,1,0,0,0,0|1,1,0]=3 184 B14R2.4514 CC1=C(ON=C1N)C2=CC=CC=C2 Z1270451368 [0,1,0,0,0,0|2,0,1]=4 185 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 Z1255365960 [0,0,1,0,0,0|2,0,1]=4 186 B12R1.27 C/N=C(\N)/NCC1=CN=CC=C1 Z1090000620 [0,0,1,0,0,0|2,0,0]=3 187 B12R1.27 C=C(C=O)OCC1=CC=CC=C1 Z1198183530 [0,0,1,0,0,0|3,0,0]=4 188 B12R1.27 CCC(N)CCC1=CC=CC=C1 Z406453862 [0,0,1,0,0,0|2,0,1]=4 189 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [0,0,1,0,0,0|2,0,1]=4 190 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [0,0,1,0,0,0|1,0,1]=3 191 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [0,0,1,0,0,0|3,0,0]=4 192 B12R1.27 N/C(=N\O)/CCC1=CC=CC=C1 Z285132818 [0,0,1,0,0,0|2,0,0]=3 193 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 Z104341168 [0,0,1,0,0,0|3,0,0]=4 194 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [0,0,1,0,0,0|3,0,0]=4 195 B12R1.30 C=CCCC(N)C1=CC=CC=C1 Z1219748388 [0,0,1,0,0,0|3,0,0]=4 196 B12R1.30 CCCCC(O)C1=CC=CC=C1 Z445987132 [0,0,1,0,0,0|2,0,1]=4 197 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 Z1127664488 [0,0,1,0,0,0|2,0,1]=4 198 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 Z1127664374 [0,0,1,0,0,0|2,0,1]=4 199 B12R1.30 COCCC(O)C1=CC=CC=C1 Z818738046 [0,0,1,0,0,0|3,0,0]=4 200 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [0,0,1,0,0,0|2,0,0]=3 201 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [0,0,1,0,0,0|3,0,0]=4 202 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 Z1089996260 [0,0,1,0,0,0|1,0,0]=2 203 B12R1.107 CC(NC(=O)N)C1=CC=CC=C1 Z198194342 [0,0,1,0,0,0|2,0,0]=3 204 B12R1.107 CC(NC(=S)N)C1=CC=CC=C1 Z56913099 [0,0,1,0,0,0|2,0,0]=3 205 B12R1.107 CN(CC(=O)N)C1=CC=CC=C1 Z54747686 [0,0,1,0,0,0|3,0,0]=4 206 B12R1.107 N=C(N)NC(=O)C1=CC=CC=C1 Z1198149259 [0,0,1,0,0,0|2,0,1]=4 207 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [0,0,1,0,0,0|1,0,2]=4 208 B12R1.252 N=C(N)COCC1=CC=CC=C1 Z2574925846 [0,0,1,0,0,0|3,0,0]=4 209 B12R1.252 N=C(N)CSCC1=CC=CC=C1 Z1795818268 [0,0,1,0,0,0|3,0,0]=4 210 B12R1.252 N=C(N)NCCC1=NC=CC=C1 Z1089995406 [0,0,1,0,0,0|2,0,1]=4 211 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [0,0,1,0,0,0|2,0,1]=4 212 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [0,0,1,0,0,0|2,0,1]=4 213 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [0,0,1,0,0,0|2,0,1]=4 214 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [0,0,1,0,0,0|2,0,1]=4 215 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [0,0,1,0,0,0|2,0,1]=4 216 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [0,0,1,0,0,0|0,0,2]=3 217 B12R1.252 NC(=O)NCCC1=CN=CC=C1 Z432778234 [0,0,1,0,0,0|1,0,2]=4 218 B12R1.252 NC(=O)NCCC1=NC=CC=C1 Z198194814 [0,0,1,0,0,0|1,0,2]=4 219 B12R1.252 NC(=O)NOCC1=CC=CC=C1 Z56787772 [0,0,1,0,0,0|1,0,2]=4 220 B12R1.252 NC(=S)NCCC1=CC=CC=C1 Z56933803 [0,0,1,0,0,0|0,1,1]=3 221 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [0,0,1,0,0,0|2,0,0]=3 222 B12R1.252 O=C(O)CCCC1=CC=NC=C1 Z2106608658 [0,0,1,0,0,0|3,0,0]=4 223 B12R1.252 O=C(O)CCCC1=NC=CC=C1 Z1259273117 [0,0,1,0,0,0|3,0,0]=4 224 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [0,0,1,0,0,0|3,0,0]=4 225 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [0,0,1,0,0,0|3,0,0]=4 226 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [0,0,1,0,0,0|3,0,0]=4 227 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [0,0,1,0,0,0|3,0,0]=4 228 B12R2.6 NC1=NN=C(O1)C2=CC=CO2 Z56943702 [0,0,0,0,1,0|2,0,1]=4 229 B12R2.6 NC1=NN=C(O1)C2=CC=CS2 Z285233806 [0,0,0,0,1,0|2,0,1]=4 230 B12R2.22 N[C@H]1C[C@@H](C1)C2=CC=CC=C2 Z2301685436 [0,0,0,0,1,0|1,0,1]=3 231 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 Z336080338 [0,0,0,0,1,0|2,0,0]=3 232 B12R2.22 O=C1CC(N1)C2=CC=CC=C2 Z367677412 [0,0,0,0,1,0|2,0,0]=3 233 B12R2.22 OC1CC(C1)C2=CC=CC=C2 Z501748204 [0,0,0,0,1,0|2,0,1]=4 234 B12R2.22 O[C@H]1C[C@H](C1)C2=CC=CC=C2 Z1504675336 [0,0,0,0,1,0|2,0,1]=4 235 B12R2.23 NC1CCC1C2=CC=CC=C2 Z1203589614 [0,0,0,0,1,0|1,0,1]=3 236 B12R2.23 N[C@@H]1CC[C@@H]1C2=CC=CC=C2 Z2489138864 [0,0,0,0,1,0|1,0,1]=3 237 B12R2.23 O=C1CCN1C2=CC=CC=C2 Z1198221109 [0,0,0,0,1,0|3,0,0]=4 238 B14R2.19 NC1=CN(C=N1)CC2=CC=CC=C2 Z3285863621 [0,0,0,0,0,1|2,0,1]=4 239 B14R2.19 NC1=CN(N=N1)CC2=CC=CC=C2 Z1744713956 [0,0,0,0,0,1|3,0,0]=4 240 B14R2.19 NC1=NC=C(S1)CC2=CC=CC=C2 Z57040472 [0,0,0,0,0,1|0,1,2]=4 241 B14R2.19 NC1=NCC(N1)CC2=CC=CC=C2 Z1331044122 [0,0,0,0,0,1|1,0,0]=2 242 B14R2.19 NC1=NN(C=N1)CC2=CC=CC=C2 Z600584624 [0,0,0,0,0,1|2,0,1]=4 243 B14R2.19 NC1=NN(N=N1)CC2=CC=CC=C2 Z56837204 [0,0,0,0,0,1|3,0,0]=4 244 B14R2.19 NC1=NNC(=C1)CC2=CC=CC=C2 Z1251353580 [0,0,0,0,0,1|2,0,1]=4 245 B14R2.19 NC1=NNC(=N1)NC2=CC=CC=C2 Z1216814163 [0,0,0,0,0,1|2,0,1]=4 246 B14R2.19 NC1CCC(C1)CC2=CC=CC=C2 Z1233210256 [0,0,0,0,0,1|2,0,1]=4 247 B14R2.19 O=C1CC(CN1)CC2=CC=CC=C2 Z1198235320 [0,0,0,0,0,1|2,0,1]=4 248 B14R2.19 O=C1CCC(N1)CC2=CC=CC=C2 Z1270257271 [0,0,0,0,0,1|3,0,0]=4 249 B14R2.19 O=C1CCC(O1)CC2=CC=CC=C2 Z1342098372 [0,0,0,0,0,1|2,0,0]=3 250 B14R2.19 O=C1NCC(O1)CC2=CC=CC=C2 Z1255419800 [0,0,0,0,0,1|1,0,1]=3 251 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 Z1222283104 [0,0,0,0,0,1|3,0,0]=4 252 B14R2.19 SC1=NN=C(O1)CC2=CC=CC=C2 Z55879421 [0,0,0,0,0,1|2,0,1]=4 253 B14R2.21 CC1CNCC(O1)C2=CC=CC=C2 Z405744536 [0,0,0,0,0,1|1,0,2]=4 254 B14R2.21 NC1=CC(=CN=C1)C2=CC=CC=C2 Z1198164226 [0,0,0,0,0,1|1,0,2]=4 255 B14R2.21 NC1=NC(=CC=N1)C2=CC=CC=C2 Z56788776 [0,0,0,0,0,1|1,0,2]=4 256 B14R2.21 NC1=NC(=CN=C1)C2=CC=CC=C2 Z1198277985 [0,0,0,0,0,1|1,0,2]=4 257 B14R2.21 NC1=NC(=CN=N1)C2=CC=CC=C2 Z381019608 [0,0,0,0,0,1|1,0,2]=4 258 B14R2.21 NC1=NC=NC(=C1)C2=CC=CC=C2 Z856211082 [0,0,0,0,0,1|1,0,2]=4 259 B14R2.21 NC1CCCC(C1)C2=CC=CC=C2 Z1233210460 [0,0,0,0,0,1|2,0,1]=4 260 B14R2.21 NC1CCOC(C1)C2=CC=CC=C2 Z1694636311 [0,0,0,0,0,1|2,0,1]=4 261 B14R2.21 N[C@@H]1CCO[C@H](C1)C2=CC=CC=C2 Z5473978901 [0,0,0,0,0,1|2,0,1]=4 262 B14R2.21 O=C1CCCC(C1)C2=CC=CC=C2 Z1198152074 [0,0,0,0,0,1|3,0,0]=4 263 B14R2.21 O=C1CCCC(N1)C2=CC=CC=C2 Z1255365075 [0,0,0,0,0,1|3,0,0]=4 264 B14R2.21 O=C1CNCC(N1)C2=CC=CC=C2 Z2867580643 [0,0,0,0,0,1|2,0,1]=4 265 B14R2.21 O=C1COCC(N1)C2=CC=CC=C2 Z1255426729 [0,0,0,0,0,1|3,0,0]=4 266 B14R2.21 O=C1CSCC(N1)C2=CC=CC=C2 Z1509259667 [0,0,0,0,0,1|3,0,0]=4 267 B14R2.68 C[C@@H]1CO[C@H](CN1)C2=CC=CC=C2 Z3190001661 [0,0,0,0,0,1|1,0,2]=4 268 B14R2.68 NC1=NC=C(C=C1)C2=CC=CC=C2 Z363993642 [0,0,0,0,0,1|1,0,2]=4 269 B14R2.68 NC1=NC=C(C=N1)C2=CC=CC=C2 Z1013761006 [0,0,0,0,0,1|1,0,2]=4 270 B14R2.68 NC1=NC=C(N=C1)C2=CC=CC=C2 Z1255488587 [0,0,0,0,0,1|1,0,2]=4 271 B14R2.68 NC1=NCC(CN1)C2=CC=CC=C2 Z3300701118 [0,0,0,0,0,1|1,0,0]=2 272 B14R2.68 NC1=NN=C(C=C1)C2=CC=CC=C2 Z600584210 [0,0,0,0,0,1|2,0,1]=4 273 B14R2.68 NC1=NN=C(C=N1)C2=CC=CC=C2 Z56799683 [0,0,0,0,0,1|1,0,2]=4 274 B14R2.68 NC1=NN=C(CS1)C2=CC=CC=C2 Z56788779 [0,0,0,0,0,1|1,1,1]=4 275 B14R2.68 NC1CCC(CC1)C2=CC=CC=C2 Z239626662 [0,0,0,0,0,1|2,0,1]=4 276 B14R2.68 O=C1CCC(CC1)C2=CC=CC=C2 Z56922122 [0,0,0,0,0,1|3,0,0]=4 277 B14R2.68 O=C1CSC(CN1)C2=CC=CC=C2 Z1509188312 [0,0,0,0,0,1|1,1,1]=4 278 B11R1.12 CCC(C=O)C1=CC=CC=C1 Z1079132778 [1,0,1,0,0,0|2,0,0]=4 279 B11R1.12 CCC(CN)C1=CC=CC=C1 Z85956799 [1,0,1,0,0,0|1,0,1]=4 280 B11R1.12 COC(CN)C1=CC=CC=C1 Z285139084 [1,0,1,0,0,0|0,0,2]=4 281 B11R1.12 NCC(CO)C1=CC=CC=C1 Z1198168251 [1,0,1,0,0,0|1,0,1]=4 282 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [1,0,1,0,0,0|1,0,1]=4 283 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [1,0,1,0,0,0|2,0,0]=4 284 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [1,0,1,0,0,0|1,0,1]=4 285 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [1,0,1,0,0,0|0,0,1]=3 286 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [1,0,1,0,0,0|1,0,1]=4 287 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [1,0,1,0,0,0|1,0,1]=4 288 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [1,0,1,0,0,0|1,0,1]=4 289 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [1,0,1,0,0,0|1,0,1]=4 290 B11R1.28 S=C=NCCC1=CC=CC=C1 Z56924472 [1,0,1,0,0,0|0,1,1]=4 291 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [1,0,1,0,0,0|2,0,0]=4 292 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [1,0,1,0,0,0|1,0,0]=3 293 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [1,0,1,0,0,0|1,0,1]=4 294 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [1,0,1,0,0,0|1,0,1]=4 295 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [1,0,1,0,0,0|1,0,0]=3 296 B11R1.91 N=C(N)COC1=CC=CC=C1 Z1532540938 [1,0,1,0,0,0|2,0,0]=4 297 B11R1.91 N=C(N)CSC1=CC=CC=C1 Z1532718998 [1,0,1,0,0,0|2,0,0]=4 298 B11R1.91 N=C(N)NCC1=CC=NC=C1 Z2723680409 [1,0,1,0,0,0|2,0,0]=4 299 B11R1.91 N=C(N)NCC1=NC=CC=C1 Z911465258 [1,0,1,0,0,0|2,0,0]=4 300 B11R1.91 N=C(N)SCC1=CC=CC=C1 Z89242849 [1,0,1,0,0,0|0,1,0]=3 301 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [1,0,1,0,0,0|2,0,0]=4 302 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [1,0,1,0,0,0|2,0,0]=4 303 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [1,0,1,0,0,0|1,0,0]=3 304 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [1,0,1,0,0,0|2,0,0]=4 305 B11R1.91 NC(=S)NCC1=CC=CC=C1 Z56900892 [1,0,1,0,0,0|2,0,0]=4 306 B13R1.713 C#CC(OC(=O)N)C1=CC=CC=C1 Z1198155485 [0,1,1,0,0,0|1,0,1]=4 307 B13R1.15 C/N=C(\N)/NCC1=CC(=CC=C1)Br Z1090034392 [0,1,1,0,0,0|1,0,0]=3 308 B13R1.42 CCNC(=O)OCC1=CC=CC=C1 Z32025015 [0,1,1,0,0,0|1,0,1]=4 309 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 Z1436181402 [0,1,1,0,0,0|2,0,0]=4 310 B13R1.351 CC(N)C(=O)OCC1=CC=CC=C1 Z2472775311 [0,1,1,0,0,0|2,0,0]=4 311 B13R1.351 CN(C)C(=O)OCC1=CC=CC=C1 Z32014975 [0,1,1,0,0,0|1,0,1]=4 312 B13R1.417 C/N=C(\NC)/NCC1=CC=CC=C1 Z1089994842 [0,1,1,0,0,0|1,0,0]=3 313 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 Z255306774 [0,1,1,0,0,0|1,0,1]=4 314 B13R1.45 NC(=O)NCC(O)C1=CC=CC=C1 Z198194916 [0,1,1,0,0,0|0,0,1]=3 315 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 Z1198155491 [0,1,1,0,0,0|1,0,0]=3 316 B13R1.147 CC(NC(=N)N)C1=CC(=CC=C1)Br Z1090008926 [0,1,1,0,0,0|1,0,0]=3 317 B13R1.147 CC(NC(=N)N)C1=CC(=CC=C1)Cl Z1090000294 [0,1,1,0,0,0|1,0,0]=3 318 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)N Z2182115487 [0,1,1,0,0,0|2,0,0]=4 319 B13R1.149 NC(=O)NCCC1=CC(=CC=C1)Cl Z198195798 [0,1,1,0,0,0|0,0,2]=4 320 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Br Z1097106911 [0,1,1,0,0,0|2,0,0]=4 321 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Cl Z1198171600 [0,1,1,0,0,0|2,0,0]=4 322 B13R1.158 N=C(N)NCCC1=C(C=CC=C1)F Z3034036268 [0,1,1,0,0,0|1,0,1]=4 323 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O Z1982493918 [0,1,1,0,0,0|2,0,0]=4 324 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Br Z1097106913 [0,1,1,0,0,0|2,0,0]=4 325 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Cl Z1209411177 [0,1,1,0,0,0|2,0,0]=4 326 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)F Z1198171601 [0,1,1,0,0,0|2,0,0]=4 327 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [0,1,1,0,0,0|2,0,0]=4 328 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [0,1,1,0,0,0|2,0,0]=4 329 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O Z336127890 [0,1,1,0,0,0|2,0,0]=4 330 B13R1.513 N=C(N)SCCC1=CC=C(C=C1)Cl Z2237698506 [0,1,1,0,0,0|2,0,0]=4 331 B13R1.513 NC1=CC=C(C=C1)CCCC(=O)O Z336079594 [0,1,1,0,0,0|2,0,0]=4 332 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br Z336286028 [0,1,1,0,0,0|2,0,0]=4 333 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl Z336286026 [0,1,1,0,0,0|2,0,0]=4 334 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)F Z336285992 [0,1,1,0,0,0|2,0,0]=4 335 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)O Z1201617656 [0,1,1,0,0,0|2,0,0]=4 336 B13R1.718 NCC(=O)NCCC1=CC=CC=C1 Z234895191 [0,1,1,0,0,0|0,0,2]=4 337 B13R1.718 NNC(=O)CCCC1=CC=CC=C1 Z361890858 [0,1,1,0,0,0|1,0,1]=4 338 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 Z56828395 [0,1,1,0,0,0|0,1,1]=4 339 B13R1.718 O=C(CCCC1=CC=CC=C1)NO Z361890960 [0,1,1,0,0,0|1,0,1]=4 340 B13R2.12 BrC1=CC=C(C=C1)C2=NN=CO2 Z55670794 [1,1,0,0,0,0|1,0,1]=4 341 B13R2.12 CC1=CC=C(C=C1)C2=CN=CO2 Z1201618984 [1,1,0,0,0,0|0,0,2]=4 342 B13R2.12 ClC1=CC=C(C=C1)C2=NN=CO2 Z55670804 [1,1,0,0,0,0|1,0,1]=4 343 B13R2.12 NC1=CC=C(C=C1)C2=CN=CO2 Z478697638 [1,1,0,0,0,0|0,0,2]=4 344 B13R2.12 NC1=CC=C(C=C1)C2=NN=CO2 Z228586394 [1,1,0,0,0,0|1,0,1]=4 345 B13R2.12 OC1=CC=C(C=C1)C2=NN=CO2 Z56943538 [1,1,0,0,0,0|1,0,1]=4 346 B13R2.13 BrC1=CC(=CC=C1)C2=NN=CO2 Z57437750 [1,1,0,0,0,0|1,0,1]=4 347 B13R2.13 ClC1=CC(=CC=C1)C2=NN=CO2 Z55670851 [1,1,0,0,0,0|1,0,1]=4 348 B13R2.13 NC1=CC(=CC=C1)C2=CN=CO2 Z586253148 [1,1,0,0,0,0|0,0,2]=4 349 B13R2.13 OC1=CC(=CC=C1)C2=NN=CO2 Z57615381 [1,1,0,0,0,0|1,0,1]=4 350 B13R2.15 N[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z2690083974 [1,1,0,0,0,0|1,0,1]=4 351 B13R2.18 BrC1=C(C=CC=C1)C2=NN=CO2 Z55670797 [1,1,0,0,0,0|1,0,1]=4 352 B13R2.18 OC1=C(C=CC=C1)C2=NN=CO2 Z57438332 [1,1,0,0,0,0|1,0,1]=4 353 B13R2.18 OC1=C(C=CC=C1)C2C=CCC2 Z56872352 [1,1,0,0,0,0|2,0,0]=4 354 B13R2.52 CNC1CC(C1)C2=CC=CC=C2 Z444333842 [0,1,0,0,1,0|1,0,1]=4 355 B13R2.147 CC1=CC=C(C=C1)C2CC(=O)N2 Z1238837490 [0,1,0,0,1,0|2,0,0]=4 356 B13R2.147 NC1CC(C1)C2=CC=C(C=C2)Br Z1696091784 [0,1,0,0,1,0|1,0,1]=4 357 B13R2.147 NC1CC(C1)C2=CC=C(C=C2)F Z1266854912 [0,1,0,0,1,0|1,0,1]=4 358 B13R2.147 N[C@H]1C[C@@H](C1)C2=CC=C(C=C2)Cl Z1947189743 [0,1,0,0,1,0|1,0,1]=4 359 B13R2.147 O=C1CC(C1)C2=CC=C(C=C2)Br Z385459408 [0,1,0,0,1,0|2,0,0]=4 360 B13R2.147 O=C1CC(C1)C2=CC=C(C=C2)F Z444338412 [0,1,0,0,1,0|2,0,0]=4 361 B13R2.147 O=C1CC(N1)C2=CC=C(C=C2)Br Z1238837631 [0,1,0,0,1,0|2,0,0]=4 362 B13R2.147 O=C1CC(N1)C2=CC=C(C=C2)Cl Z1198168152 [0,1,0,0,1,0|2,0,0]=4 363 B13R2.151 CC1=CC(=CC=C1)C2CC(=O)C2 Z444344078 [0,1,0,0,1,0|2,0,0]=4 364 B13R2.151 CC1=CC(=CC=C1)[C@H]2C[C@@H](C2)N Z1954242338 [0,1,0,0,1,0|1,0,1]=4 365 B13R2.151 NC1CC(C1)C2=CC(=CC=C2)Cl Z1262327397 [0,1,0,0,1,0|1,0,1]=4 366 B13R2.151 N[C@H]1C[C@@H](C1)C2=CC(=CC=C2)Br Z3088779932 [0,1,0,0,1,0|1,0,1]=4 367 B13R2.151 O=C1CC(N1)C2=CC=CC(=C2)Br Z1238837585 [0,1,0,0,1,0|2,0,0]=4 368 B13R2.151 O=C1CC(N1)C2=CC=CC(=C2)O Z3227055565 [0,1,0,0,1,0|2,0,0]=4 369 B13R2.216 CC1=C(C=CC=C1)C2CC(=O)C2 Z444348616 [0,1,0,0,1,0|2,0,0]=4 370 B13R2.216 NC1CC(C1)C2=C(C=CC=C2)Br Z1696091632 [0,1,0,0,1,0|1,0,1]=4 371 B13R2.216 NC1CC(C1)C2=C(C=CC=C2)Cl Z1255523422 [0,1,0,0,1,0|1,0,1]=4 372 B13R2.216 NC1CC(C1)C2=C(C=CC=C2)F Z1259339076 [0,1,0,0,1,0|1,0,1]=4 373 B13R2.216 O=C1CC(C1)C2=C(C=CC=C2)Cl Z444350246 [0,1,0,0,1,0|2,0,0]=4 374 B13R2.216 O=C1CC(C1)C2=C(C=CC=C2)F Z444349348 [0,1,0,0,1,0|2,0,0]=4 375 B13R2.216 O=C1CC(N1)C2=C(C=CC=C2)Cl Z1198168153 [0,1,0,0,1,0|2,0,0]=4 376 B13R2.238 CC1(CC(=O)C1)C2=CC=CC=C2 Z1123697907 [0,1,0,0,1,0|2,0,0]=4 377 B13R2.238 CC1(CC(C1)N)C2=CC=CC=C2 Z1126749018 [0,1,0,0,1,0|1,0,1]=4 378 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 Z1436543792 [0,1,0,0,1,0|2,0,0]=4 379 B13R2.373 CC1C(=O)NC1C2=CC=CC=C2 Z1267861070 [0,1,0,0,1,0|2,0,0]=4 380 B13R2.373 CC1C(CC1C2=CC=CC=C2)N Z1430540182 [0,1,0,0,1,0|1,0,1]=4 381 B13R2.56 NCC1CCC1C2=CC=CC=C2 Z4003034803 [0,1,0,0,1,0|1,0,1]=4 382 B13R2.215 NC1CCC1C2=C(C=CC=C2)Cl Z1695906760 [0,1,0,0,1,0|1,0,1]=4 383 B13R2.413 CC1(CCC1N)C2=CC=CC=C2 Z1813195198 [0,1,0,0,1,0|1,0,1]=4 384 B15R2.98 NC1=NN=C(O1)CC2=CC=C(C=C2)Cl Z316096932 [0,1,0,0,0,1|1,0,1]=4 385 B15R2.98 NC1=NN=C(O1)CC2=CC=C(C=C2)F Z285233926 [0,1,0,0,0,1|1,0,1]=4 386 B15R2.98 O=C1CCC(O1)CC2=CC=C(C=C2)O Z1342098214 [0,1,0,0,0,1|2,0,0]=4 387 B15R2.1115 NC1=NN=C(O1)CC2=CC(=CC=C2)F Z285233958 [0,1,0,0,0,1|1,0,1]=4 388 B15R2.1115 O=C1CCC(O1)CC2=CC=CC(=C2)O Z1342095237 [0,1,0,0,0,1|2,0,0]=4 389 B15R2.1115 O=C1NCC(O1)CC2=CC=CC(=C2)F Z1509163663 [0,1,0,0,0,1|1,0,1]=4 390 B15R2.389 C[C@@H]1NC(=O)CO[C@H]1C2=CC=CC=C2 Z2309992038 [0,1,0,0,0,1|1,0,1]=4 391 B15R2.14 NCC1=NN=C(O1)C2=CC(=CC=C2)Br Z945578074 [0,2,0,0,0,0|1,0,1]=4 392 B15R2.59 CC(N)C1=NC=C(O1)C2=CC=CC=C2 Z1250080901 [0,2,0,0,0,0|0,0,2]=4 393 B15R2.59 CN(C)C1=NCC(N1)C2=CC=CC=C2 Z3301766443 [0,2,0,0,0,0|1,0,0]=3 394 B15R2.59 NC(=O)C1=NN=C(O1)C2=CC=CC=C2 Z1262627214 [0,2,0,0,0,0|1,0,1]=4 395 B15R2.66 CCNC1=NCC(S1)C2=CC=CC=C2 Z422704880 [0,2,0,0,0,0|0,1,0]=3 396 B15R2.66 NCCC1=NN=C(O1)C2=CC=CC=C2 Z945579862 [0,2,0,0,0,0|1,0,1]=4 397 B15R2.275 CC1=CC=C(C=C1)C2=CN=C(O2)CN Z1270482300 [0,2,0,0,0,0|0,0,2]=4 398 B15R2.275 NCC1=NN=C(O1)C2=CC=C(C=C2)Cl Z1268152402 [0,2,0,0,0,0|1,0,1]=4 399 B15R2.2 COC1=CC=C(C=C1)C2=NN=C(O2)N Z235538124 [0,2,0,0,0,0|1,0,1]=4 400 B15R2.299 CC1=C(C=C(C=C1)C2=NN=C(O2)N)F Z285233872 [0,2,0,0,0,0|1,0,1]=4 401 B15R2.299 NC1=NN=C(O1)C2=CC(=C(C=C2)F)F Z285233764 [0,2,0,0,0,0|1,0,1]=4 402 B15R2.1153 CC1=CC(=C(C=C1)C2=NN=C(O2)N)C Z285233856 [0,2,0,0,0,0|1,0,1]=4 403 B15R2.1153 NC1=NN=C(O1)C2=C(C=C(C=C2)Br)Cl Z448247298 [0,2,0,0,0,0|1,0,1]=4 404 B15R2.1153 NC1=NN=C(O1)C2=C(C=C(C=C2)F)Br Z285233868 [0,2,0,0,0,0|1,0,1]=4 405 B15R2.1153 NC1=NN=C(O1)C2=C(C=C(C=C2)F)F Z285233854 [0,2,0,0,0,0|1,0,1]=4 406 B15R2.18 N#CC1=CC=CC(=C1)C2=NN=C(O2)N Z285233762 [0,2,0,0,0,0|1,0,1]=4 407 B15R2.290 CC1=C(C=C(C=C1)F)C2=NN=C(O2)N Z1080466570 [0,2,0,0,0,0|1,0,1]=4 408 B15R2.290 NC1=NN=C(O1)C2=C(C=CC(=C2)F)Br Z285233870 [0,2,0,0,0,0|1,0,1]=4 409 B15R2.2189 COC1=C(C=CC=C1)C2=NN=C(O2)N Z285233820 [0,2,0,0,0,0|1,0,1]=4 410 B15R2.6956 NC1=NN=C(O1)C2=C(C=CC=C2F)Cl Z285233718 [0,2,0,0,0,0|1,0,1]=4 411 B15R2.324 CC1(OC(=NC1=O)N)C2=CC=CC=C2 Z1262627420 [0,2,0,0,0,0|0,0,1]=3 412 B15R2.324 CC1NC(=O)OC1(C)C2=CC=CC=C2 Z1216837324 [0,2,0,0,0,0|1,0,1]=4 413 B13R2.328 CC1=C2C=CC=CC2=NC(=C1)N Z1198165287 [0,0,1,1,0,0|1,0,1]=4 414 B13R2.328 CC1=C2C=CC=CC2=NC(=N1)N Z57166964 [0,0,1,1,0,0|1,0,1]=4 415 B13R2.328 CC1CC(=O)NC2=C1C=CC=C2 Z1198279631 [0,0,1,1,0,0|2,0,0]=4 416 B13R2.328 NC1=NC2=C(C=CC=C2)C(=O)O1 Z1198176566 [0,0,1,1,0,0|1,0,1]=4 417 B13R2.31 O=C1CC(N1)CC2=CC=CC=C2 Z1198168168 [0,0,1,1,0,0|1,0,1]=4 418 B13R2.72 NC(=O)C1CCC2=C1C=CC=C2 Z1127744301 [0,0,1,1,0,0|1,0,1]=4 419 B13R2.72 NC(=O)N1CCC2=C1C=CC=C2 Z198194398 [0,0,1,1,0,0|0,0,2]=4 420 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 Z792377300 [0,0,1,1,0,0|2,0,0]=4 421 B13R2.163 O=C1CCCC2=C(N1)C=CC=C2 Z362764922 [0,0,1,1,0,0|1,0,1]=4 422 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [0,0,1,0,1,0|1,0,1]=4 423 B11R1.40 CS/C(=N/C1=CC=CC=C1)/N Z107728768 [0,0,1,0,1,0|2,0,0]=4 424 B11R1.40 N/C(=N\O)/CC1=NC=CC=C1 Z285132826 [0,0,1,0,1,0|2,0,0]=4 425 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [0,0,1,0,1,0|2,0,0]=4 426 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 Z1255506457 [0,0,1,0,1,0|1,0,0]=3 427 B11R1.36 CC(N)C(C)C1=CC=CC=C1 Z1203578901 [0,0,1,0,1,0|1,0,1]=4 428 B11R1.36 CN(C(=N)N)C1=CC=CC=C1 Z1269638527 [0,0,1,0,1,0|1,0,0]=3 429 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 Z57069256 [0,0,1,0,1,0|2,0,0]=4 430 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 Z57204607 [0,0,1,0,1,0|2,0,0]=4 431 B11R2.239 C1=CC=C(C=C1)C2CCN2 Z359510120 [1,0,0,0,1,0|1,0,1]=4 432 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [0,0,0,0,2,0|0,0,1]=3 433 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [0,0,0,0,2,0|0,0,1]=3 434 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [0,0,0,0,2,0|0,0,1]=3 435 B13R1.337 N=C(N)CCCOC1=CC=CC=C1 Z1702888520 [0,0,1,0,0,1|2,0,0]=4 436 B13R1.337 N=C(N)SCCOC1=CC=CC=C1 Z48820147 [0,0,1,0,0,1|2,0,0]=4 437 B13R1.337 NC(=O)CCCOC1=CC=CC=C1 Z33546386 [0,0,1,0,0,1|1,0,1]=4 438 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 Z53116260 [0,0,1,0,0,1|1,0,1]=4 439 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 Z102924572 [0,0,1,0,0,1|1,0,1]=4 440 B13R1.337 NC(=O)NCCCC1=CC=CC=C1 Z198194892 [0,0,1,0,0,1|0,0,2]=4 441 B13R1.337 O=C(O)C#CCCC1=CC=CC=C1 Z1235951037 [0,0,1,0,0,1|2,0,0]=4 442 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 Z361415662 [0,0,1,0,0,1|2,0,0]=4 443 B13R1.337 O=C(O)CCCNC1=CC=CC=C1 Z445129480 [0,0,1,0,0,1|2,0,0]=4 444 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 Z104496174 [0,0,1,0,0,1|2,0,0]=4 445 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 Z56862233 [0,0,1,0,0,1|2,0,0]=4 446 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 Z335451288 [0,0,1,0,0,1|2,0,0]=4 447 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 Z316258802 [0,0,1,0,0,1|2,0,0]=4 448 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 Z54671437 [0,0,1,0,0,1|2,0,0]=4 449 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 Z1278590824 [0,0,1,0,0,1|1,0,1]=4 450 B13R1.337 O=C(O)COCCC1=CC=CC=C1 Z362795648 [0,0,1,0,0,1|2,0,0]=4 451 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 Z228588554 [0,0,1,0,0,1|2,0,0]=4 452 B15R2.283 NC1=NN=C(O1)CCC2=CC=CC=C2 Z285233912 [0,0,0,0,0,2|1,0,1]=4 453 B15R2.283 NC1=NN=C(O1)NCC2=CC=CC=C2 Z1262649422 [0,0,0,0,0,2|1,0,1]=4