0 B14R2.28472 O=C1NC2=C(NC1=O)C(O)=CC=C2 O29383 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.162 CC1=CC=CC2=C1NC(=O)CC2 M22763 [1,0,0,0,0,0|1,0,2]=4 2 B13R2.162 FC1=C2N=C(Cl)C=CC2=CC=C1 O32555 [1,0,0,0,0,0|1,0,1]=3 3 B13R2.162 NC1=CC=C2C=CC=C(O)C2=N1 M15584 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.162 O=C1COC2=CC=CC(Cl)=C2N1 K12403 [1,0,0,0,0,0|1,1,1]=4 5 B13R2.369 BrC1=C(Br)C=C2C=CC=CC2=C1 G-7412 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.369 BrC1=CC2=CC=CC=C2N=C1I Q67670 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.369 CC1=CC2=CC=CC=C2N=C1Br O29594 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.369 CC1=CC2=CC=CC=C2NC1=O H-8558 [1,0,0,0,0,0|1,0,0]=2 9 B13R2.369 CC1=NC2=CC=CC=C2C=C1Br O33096 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.369 CC1NC2=CC=CC=C2NC1=O C-2873 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br C-2201 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.369 NC1=C(O)N=C2C=CC=CC2=N1 G-6217 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O O31934 [1,0,0,0,0,0|2,0,0]=3 14 B13R2.369 O=C1NC2=CC=CC=C2C=C1Br N25822 [1,0,0,0,0,0|1,0,0]=2 15 B13R2.369 OC1=C(Cl)N=C2C=CC=CC2=N1 G-7209 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.5179 CC1=C2N=CC(Br)=CC2=CC=C1 P45342 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.5179 CC1=CC2=C(N=C1)C(N)=CC=C2 K10953 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.5179 NC1=C2N=CC(Br)=CC2=CC=C1 O30466 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.5179 NC1=CC2=CC=CC(Br)=C2N=C1 O29668 [1,0,0,0,0,0|1,1,1]=4 20 B13R2.5179 NC1=CC2=CC=CC(Cl)=C2N=C1 O29547 [1,0,0,0,0,0|1,1,1]=4 21 B13R2.5179 O=C1C=COC2=CC(O)=CC=C12 G-7505 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.5179 OC1=CC2=C(C=C1)C(Cl)=NC=C2 O29522 [1,0,0,0,0,0|2,1,0]=4 23 B13R2.5179 OC1=CC2=C(C=N1)C(Br)=CC=C2 O30257 [1,0,0,0,0,0|2,1,0]=4 24 B13R2.5179 OC1=NC2=CC=CC(Cl)=C2N=C1 Q69523 [1,0,0,0,0,0|1,1,1]=4 25 B13R1.202 O=C(O)C(=O)CC1=CC=CC=C1Cl P38429 [0,0,1,0,0,0|2,1,0]=4 26 B13R2.4825 CC1C(=O)NC2=C1C=CC=C2F L22006 [0,0,0,0,1,0|1,0,1]=3 27 B13R2.4825 O=C1NC2=C(C=CC=C2I)C1=O O32269 [0,0,0,0,1,0|0,1,1]=3 28 B13R2.4856 O=C1NC2=C(C1=O)C(F)=CC=C2 O30726 [0,0,0,0,1,0|1,0,1]=3 29 B12R1.224 CC1=C(N)C(CC(=O)O)=CC=C1 O32083 [1,0,1,0,0,0|1,0,1]=4 30 B12R1.371 C\C(C=O)=C/C1=CC=CC=C1F Q69219 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.43 O=C(O)C(=O)NC1=CN=CC=C1 L18737 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 P50423 [1,0,1,0,0,0|1,0,0]=3 33 B12R1.125 O=C(O)CNC1=CC=CC=C1F P37600 [1,0,1,0,0,0|1,0,1]=4 34 B12R2.24 O=C1C=CC2=C(N=CC=C2)N1 C-3537 [2,0,0,0,0,0|1,0,0]=3 35 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 O34499 [2,0,0,0,0,0|1,0,1]=4 36 B12R2.24 OC1=CC2=CC=CC=C2C=N1 G-6644 [2,0,0,0,0,0|2,0,0]=4 37 B12R2.24 OC1=CC2=CC=CC=C2N=C1 Q67519 [2,0,0,0,0,0|0,0,1]=3 38 B12R2.24 SC1=CC2=CC=CC=C2N=C1 O29500 [2,0,0,0,0,0|0,1,1]=4 39 B12R2.1081 FC1=C2C=CC=NC2=CC=C1 O31627 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.1081 FC1=CC=CC2=C1C=NC=C2 O31498 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.1081 IC1=C2N=CC=CC2=CC=C1 I-9510 [2,0,0,0,0,0|0,1,1]=4 42 B14R2.4513 O=C1C=CC2=CC=C(O)C(O)=C2O1 G-5773 [1,1,0,0,0,0|2,0,0]=4 43 B14R2.8045 O=C1NC(=O)C2=C(N1)C(Br)=CC=C2 M15552 [1,1,0,0,0,0|1,1,0]=4 44 B14R2.8045 O=C1NC(=O)C2=C(N1)C(I)=CC=C2 M15602 [1,1,0,0,0,0|1,1,0]=4 45 B14R2.8045 O=C1NC2=C(F)C=CC=C2C(=O)O1 O30634 [1,1,0,0,0,0|1,0,0]=3 46 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1Br N26382 [1,1,0,0,0,0|1,0,1]=4 47 B14R2.8239 CC1=CC2=CC(N)=CC=C2NC1=O H-8547 [1,1,0,0,0,0|1,0,0]=3 48 B14R2.8239 NC1=CC2=C(C=C1)NC(=O)C(=O)N2 M15624 [1,1,0,0,0,0|1,0,1]=4 49 B14R2.7970 CC1(C)C(=O)NC2=C1C=CC=C2F P45039 [0,1,0,0,1,0|1,0,1]=4 50 B14R2.8737 O=C1NC2=C(C=CC(Br)=C2F)C1=O L18389 [0,1,0,0,1,0|0,0,1]=3 51 B14R2.9184 O=C1NC2=C(C=C(F)C=C2Cl)C1=O Q52478 [0,1,0,0,1,0|0,1,1]=4 52 B14R2.27750 O=C1NC2=C(C1=O)C(F)=CC(F)=C2 P51311 [0,1,0,0,1,0|1,0,1]=4 53 B14R2.4529 NC1=CC=C2OC(C(=O)O)=CC2=C1 10004 [0,0,1,1,0,0|2,0,0]=4 54 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2O1 P37481 [0,0,1,1,0,0|1,1,0]=4 55 B12R1.225 O=C(O)C(=O)C1=CC=CC(F)=C1 P36019 [0,0,1,0,1,0|1,0,1]=4 56 B12R1.225 O=C(O)C(O)C1=CC=CC(F)=C1 P38344 [0,0,1,0,1,0|1,0,1]=4 57 B12R1.124 CC1=CC=CC=C1C(=O)C(=O)O P41054 [0,0,1,0,1,0|2,0,0]=4 58 B12R1.124 NC1=CC=CC=C1C(=O)C(=O)O M22832 [0,0,1,0,1,0|2,0,0]=4 59 B12R1.124 O=C(O)C(=O)C1=CC=CC=C1Br P39207 [0,0,1,0,1,0|1,1,0]=4 60 B12R1.124 O=C(O)C(=O)C1=CC=CC=C1Cl P39275 [0,0,1,0,1,0|1,1,0]=4 61 B12R1.124 O=C(O)C(=O)C1=CC=CC=C1F P36020 [0,0,1,0,1,0|1,0,0]=3 62 B12R2.202 CC1=CC2=CC=NC(F)=C2N1 P48105 [1,0,0,0,1,0|2,0,0]=4 63 B12R2.202 FC1=C2NC(I)=CC2=CC=N1 P50457 [1,0,0,0,1,0|2,0,0]=4 64 B12R2.202 O=C1CC2=CC=NC(F)=C2N1 Q53172 [1,0,0,0,1,0|1,0,1]=4 65 B12R2.203 CC1=CNC2=C1C(F)=CC=C2 Q55308 [1,0,0,0,1,0|2,0,0]=4 66 B12R2.203 FC1=CC=CC2=C1C(Br)=CN2 Q52773 [1,0,0,0,1,0|2,0,0]=4 67 B12R2.18 C=C1C(=O)NC2=C1C=CC=N2 Q55064 [1,0,0,0,1,0|2,0,0]=4 68 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O P45467 [1,0,0,0,1,0|1,0,1]=4 69 B12R2.18 O=C1NC2=C(N=CC=C2)C1=O Q52820 [1,0,0,0,1,0|1,0,1]=4 70 B12R2.196 CC1=CNC2=C(F)N=CC=C12 P48101 [1,0,0,0,1,0|2,0,0]=4 71 B12R2.196 CC1=CNC2=C1C=CC=C2Br O30302 [1,0,0,0,1,0|1,1,0]=4 72 B12R2.196 CC1=CNC2=C1C=CC=C2N L14881 [1,0,0,0,1,0|2,0,0]=4 73 B12R2.196 CC1=NNC2=C1C=CC=C2F Q52505 [1,0,0,0,1,0|2,0,0]=4 74 B12R2.196 FC1=C2NC=C(Br)C2=CC=N1 P49492 [1,0,0,0,1,0|2,0,0]=4 75 B12R2.196 FC1=C2NC=C(Br)C2=CN=C1 10565 [1,0,0,0,1,0|2,0,0]=4 76 B12R2.196 FC1=C2NC=C(I)C2=CC=N1 P49488 [1,0,0,0,1,0|2,0,0]=4 77 B12R2.196 FC1=C2NC=C(I)C2=CN=C1 P49507 [1,0,0,0,1,0|2,0,0]=4 78 B12R2.196 FC1=C2NN=C(I)C2=CC=C1 L13617 [1,0,0,0,1,0|2,0,0]=4 79 B12R2.196 NC1=CC=CC2=C1NC=C2Cl Q69224 [1,0,0,0,1,0|2,0,0]=4 80 B12R2.196 OC1=NNC2=C1C=CC=C2F M15118 [1,0,0,0,1,0|1,0,0]=3 81 B14R1.337 CC(=O)CC(=O)NC1=CC=CC=C1F P37624 [0,0,1,0,0,1|0,0,2]=4