0 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [0,0,0,0,0,0|1,1,2]=4 2 B10R1.66 O=C(O)\C=C\C1=NC=CS1 AC7829 [0,0,0,0,0,0|2,1,0]=3 3 B9R1.12 CCNCC1=CC=CO1 C77903 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.25 COC(=O)CCC1=CC=CN1 RB3088 [0,1,0,0,0,0|1,0,2]=4 5 B11R1.75 CC1=CC(\C=C\C(=O)O)=NO1 W18280 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.75 CC1=CC=C(CCC(=O)O)O1 W18846 [0,1,0,0,0,0|1,0,2]=4 7 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 Y11316 [0,1,0,0,0,0|1,0,2]=4 8 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [0,0,1,0,0,0|1,0,2]=4 9 B11R2.36 BrC1=CC2=C(C=C1)ON=C2 25694 [0,0,0,1,0,0|2,0,1]=4 10 B11R2.36 BrC1=CN=C2OC=CC2=C1 83432 [0,0,0,1,0,0|2,0,1]=4 11 B11R2.36 BrC1=NC2=C(C=C1)OC=N2 AC3911 [0,0,0,1,0,0|3,0,0]=4 12 B11R2.36 CC1=CC2=C(C=C1)SC=C2 F11127 [0,0,0,1,0,0|1,1,0]=3 13 B11R2.36 CC1=CC2=C(C=CS2)C=C1 C73204 [0,0,0,1,0,0|3,0,0]=4 14 B11R2.36 CC1=CN=C2NC=CC2=C1 25496 [0,0,0,1,0,0|3,0,0]=4 15 B11R2.36 CC1=NC2=C(C=C1)N=CN2 C74433 [0,0,0,1,0,0|3,0,0]=4 16 B11R2.36 CC1=NC2=C(C=C1)NC=C2 82266 [0,0,0,1,0,0|2,0,0]=3 17 B11R2.36 CC1=NC2=C(C=C1)NN=C2 79023 [0,0,0,1,0,0|3,0,0]=4 18 B11R2.36 CC1=NC=C2NC=CC2=C1 76311 [0,0,0,1,0,0|3,0,0]=4 19 B11R2.36 ClC1=CC2=C(C=C1)CC=C2 53583 [0,0,0,1,0,0|2,0,1]=4 20 B11R2.36 ClC1=CC2=C(C=C1)ON=C2 D78570 [0,0,0,1,0,0|2,0,1]=4 21 B11R2.36 ClC1=NC2=C(C=C1)OC=C2 P11783 [0,0,0,1,0,0|2,0,0]=3 22 B11R2.36 ClC1=NC2=C(C=C1)SC=C2 66356 [0,0,0,1,0,0|2,1,0]=4 23 B11R2.36 FC1=CC2=C(C=C1)OC=C2 F30233 [0,0,0,1,0,0|1,0,1]=3 24 B11R2.36 IC1=CC2=C(C=C1)ON=C2 C77293 [0,0,0,1,0,0|2,0,1]=4 25 B11R2.36 NC1=NC2=C(C=C1)NC=C2 51576 [0,0,0,1,0,0|3,0,0]=4 26 B11R2.36 O=C1C=CN2N=CC=C2[N-]1 P19271 [0,0,0,1,0,0|3,0,0]=4 27 B11R2.36 OC1=CC2=C(C=C1)OC=N2 AC4843 [0,0,0,1,0,0|1,0,2]=4 28 B11R2.36 OC1=CC2=C(C=C1)SC=C2 59802 [0,0,0,1,0,0|0,1,2]=4 29 B11R2.36 OC1=NC2=C(C=C1)NC=C2 27719 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [0,0,0,0,1,0|0,1,1]=3 31 B9R1.13 O=C(O)CC1=CC=CN1 29609 [0,0,0,0,1,0|2,0,1]=4 32 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [0,0,0,0,1,0|1,0,1]=3 33 B9R1.13 O=C(O)CC1=CC=NO1 AC1452 [0,0,0,0,1,0|2,0,1]=4 34 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,0,0,0,0,1|1,0,2]=4 35 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 P18972 [0,0,0,0,0,1|2,0,0]=3 36 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 W18616 [0,0,0,0,0,1|2,0,0]=3 37 B10R1.23 CC(C)C(=O)C1=CC=CO1 N14289 [0,1,0,0,1,0|1,0,1]=4 38 B10R1.23 O=C(O)C(=O)C1=CC=CO1 D77791 [0,1,0,0,1,0|1,0,0]=3 39 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 F12211 [0,1,0,0,0,1|1,0,0]=3 40 B12R1.21 O=C(O)\C=C\C1=CN=C(Br)C=C1 F16133 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 C77141 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.27 COC(=O)\C=C\C1=CN=CC=C1 N10425 [0,1,0,0,0,1|1,0,0]=3 43 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O F14501 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 84827 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=N1 W18216 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 AT20412 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 C75087 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.51 CCOC(=O)\C=C\C1=CNC=N1 F19956 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CO1 D80703 [0,2,0,0,0,0|0,0,2]=4 50 B12R1.476 N#C\C(=C\C(=O)[O-])C1=CC=CS1 Y10575 [0,2,0,0,0,0|1,1,0]=4 51 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,0,1,1,0,0|1,0,1]=4 52 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [0,0,1,1,0,0|2,0,0]=4 53 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [0,0,1,1,0,0|2,0,0]=4 54 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [0,0,1,1,0,0|2,0,0]=4 55 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [0,0,1,1,0,0|2,0,0]=4 56 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [0,0,1,1,0,0|2,0,0]=4 57 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [0,0,1,1,0,0|2,0,0]=4 58 B10R1.61 CC(=O)C1=C(Cl)C=NC=C1 N12959 [0,0,1,1,0,0|2,0,0]=4 59 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [0,0,1,1,0,0|1,0,0]=3 60 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [0,0,1,1,0,0|1,0,0]=3 61 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [0,0,1,1,0,0|2,0,0]=4 62 B10R1.61 CC(=O)C1=CNC=CC1=O C74936 [0,0,1,1,0,0|1,0,1]=4 63 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [0,0,1,1,0,0|2,0,0]=4 64 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [0,0,1,1,0,0|1,0,0]=3 65 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [0,0,1,1,0,0|0,0,2]=4 66 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CL0151 [0,0,1,1,0,0|2,0,0]=4 67 B10R1.31 O=CC1=CC(C(=O)O)=CO1 AT17491 [0,0,1,1,0,0|2,0,0]=4 68 B10R1.30 CC1=CC=C(O)C(C=O)=N1 W11337 [0,0,1,1,0,0|2,0,0]=4 69 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [0,0,1,1,0,0|2,0,0]=4 70 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [0,0,1,1,0,0|2,0,0]=4 71 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 A10170 [0,0,1,1,0,0|2,0,0]=4 72 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 W17608 [0,0,1,1,0,0|2,0,0]=4 73 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [0,0,1,1,0,0|1,0,1]=4 74 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,0,1,1,0,0|2,0,0]=4 75 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,0,1,1,0,0|2,0,0]=4 76 B10R1.113 CC(=O)C1=CC(F)=NC=C1 52239 [0,0,1,1,0,0|2,0,0]=4 77 B10R1.113 CC(=O)C1=CC(N)=NC=C1 82952 [0,0,1,1,0,0|2,0,0]=4 78 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [0,0,1,1,0,0|1,0,0]=3 79 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [0,0,1,1,0,0|2,0,0]=4 80 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 31268 [0,0,1,1,0,0|1,0,1]=4 81 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [0,0,1,1,0,0|2,0,0]=4 82 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [0,0,1,1,0,0|2,0,0]=4 83 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N12887 [0,0,1,1,0,0|1,0,1]=4 84 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N13189 [0,0,1,1,0,0|1,0,1]=4 85 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10220 [0,0,1,1,0,0|1,0,1]=4 86 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10873 [0,0,1,1,0,0|1,0,1]=4 87 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [0,0,1,1,0,0|1,0,0]=3 88 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [0,0,1,1,0,0|2,0,0]=4 89 B10R1.113 NC(=O)C1=NC(O)=CC=C1 C77024 [0,0,1,1,0,0|2,0,0]=4 90 B10R2.7 C1=CC2=C(C=CO2)N=C1 BL002594 [1,0,0,1,0,0|1,0,0]=3 91 B10R2.7 C1=CC2=CC=CN2C=C1 D94752 [1,0,0,1,0,0|1,0,1]=4 92 B10R2.7 C1=CN=C2OC=CC2=C1 N13064 [1,0,0,1,0,0|1,0,1]=4 93 B12R2.24 BrC1=CC2=C(C=C1)OCC=C2 Y12222 [0,0,0,1,0,1|1,0,1]=4 94 B12R2.24 CC1=NC2=NC=CN=C2C=C1 C72942 [0,0,0,1,0,1|2,0,0]=4 95 B12R2.24 O=C1C=CC2=CC=CN=C2N1 P11962 [0,0,0,1,0,1|2,0,0]=4 96 B12R2.24 O=C1C=CC2=NC=CN=C2N1 26897 [0,0,0,1,0,1|2,0,0]=4 97 B12R2.44 BrCC1=CC2=C(C=C1)OC=N2 O11298 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.44 BrCC1=CC2=C(C=C1)SC=C2 C71069 [0,1,0,1,0,0|1,1,0]=4 99 B12R2.44 COC1=CC2=C(C=C1)OC=C2 85079 [0,1,0,1,0,0|1,0,0]=3 100 B12R2.44 COC1=CC2=C(C=C1)OC=N2 AC3817 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.44 COC1=CC2=C(C=C1)SC=C2 63588 [0,1,0,1,0,0|1,1,0]=4 102 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 Y10438 [0,1,0,1,0,0|1,0,1]=4 103 B12R2.44 O=CC1=NC=C2OC=CC2=C1 27730 [0,1,0,1,0,0|1,0,1]=4 104 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 P10310 [0,1,0,1,0,0|1,1,0]=4 105 B12R2.44 OCC1=CC2=C(C=N1)OC=C2 Y10033 [0,1,0,1,0,0|2,0,0]=4 106 B12R2.82 CC1=C(Br)C2=C(C=C1)NC=C2 36394 [0,1,0,1,0,0|2,0,0]=4 107 B12R2.82 CC1=C(Br)C=CC2=C1C=CN2 P16118 [0,1,0,1,0,0|2,0,0]=4 108 B12R2.82 CC1=C(O)C2=C(C=C1)NC=C2 72363 [0,1,0,1,0,0|1,0,1]=4 109 B12R2.100 CC1=C(Br)C=C2NC=CC2=C1 27349 [0,1,0,1,0,0|2,0,0]=4 110 B12R2.100 CC1=C(Cl)C=C2NC=CC2=C1 C73105 [0,1,0,1,0,0|2,0,0]=4 111 B12R2.100 CC1=C(F)C=C2NC=CC2=C1 P10246 [0,1,0,1,0,0|2,0,0]=4 112 B12R2.100 CC1=CC2=C(C=C1N)NC=C2 I11401 [0,1,0,1,0,0|2,0,0]=4 113 B12R2.252 O=C(O)C1=CC2=C(C=CN2)S1 W14888 [0,1,0,1,0,0|2,0,0]=4 114 B12R2.252 O=C(O)C1=CC2=C(C=CO2)N1 61268 [0,1,0,1,0,0|1,0,0]=3 115 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 F12380 [0,1,0,1,0,0|1,1,0]=4 116 B12R2.132 CC1=CC2=C(C=C1)OCC2=O N12808 [0,1,0,1,0,0|1,0,1]=4 117 B12R2.132 CC1=CC2=C(C=C1)ONC2=O C76060 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.606 CC1=CC2=C(C=CC(C)=N2)N1 I10966 [0,1,0,1,0,0|2,0,0]=4 119 B12R2.246 CC1=C2OC=CC2=CC(Br)=C1 32278 [0,1,0,1,0,0|1,0,1]=4 120 B12R2.246 CC1=CC(C)=C2NC=CC2=C1 I11445 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.246 ClC1=C2OC=CC2=CC(Br)=C1 AC2053 [0,1,0,1,0,0|1,0,1]=4 122 B12R2.246 ClC1=CC(Br)=C2OC=CC2=C1 AC9851 [0,1,0,1,0,0|1,0,1]=4 123 B12R2.246 FC1=C2OC=CC2=CC(Br)=C1 C10745 [0,1,0,1,0,0|1,0,1]=4 124 B12R2.246 FC1=CC(Br)=C2OC=CC2=C1 C10604 [0,1,0,1,0,0|1,0,1]=4 125 B8R1.7 CC(=O)C1=CC=NO1 I11392 [0,0,0,0,2,0|1,0,0]=3 126 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [0,0,0,0,2,0|1,0,0]=3 127 B8R1.7 CC(=O)C1=CC=NS1 62850 [0,0,0,0,2,0|1,1,0]=4 128 B8R1.7 CC(=O)C1=CN=CS1 66660 [0,0,0,0,2,0|1,1,0]=4 129 B8R1.7 CC(=O)C1=NC=CO1 33464 [0,0,0,0,2,0|1,0,0]=3 130 B8R1.7 CC(=O)C1=NOC=C1 33729 [0,0,0,0,2,0|2,0,0]=4 131 B8R1.7 CC(C)C1=CC=CO1 81450 [0,0,0,0,2,0|1,0,1]=4 132 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [0,0,0,0,2,0|1,0,1]=4 133 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [0,0,0,0,2,0|1,0,1]=4 134 B8R1.7 NC(=O)C1=CC=NO1 F30843 [0,0,0,0,2,0|2,0,0]=4 135 B8R1.7 NC(=O)C1=CN=CO1 78451 [0,0,0,0,2,0|2,0,0]=4 136 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [1,0,0,0,0,1|1,0,1]=4