0 B13R2.573 COC1=C2NC=C(I)C2=NC=C1 O32873 [1,0,0,0,0,0|3,0,0]=4 1 B13R2.573 COC1=CC=CC2=C1NN=C2I O32445 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.573 COC1=CC=NC2=C1C=CN2C L13543 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.573 COC1=NC=CC2=C1NC=C2I P43510 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.581 COC1=C2C=C(C)NC2=NC=C1 P45784 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.581 COC1=C2CC(=O)NC2=NC=C1 Q55142 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.581 COC1=C2N=C(C)OC2=CC=C1 Q70096 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.581 COC1=C2NC(=O)CC2=CC=N1 Q64414 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.581 COC1=C2NC(=O)SC2=CC=C1 Q65462 [1,0,0,0,0,0|1,0,0]=2 9 B13R2.581 COC1=CC=CC2=C1C=C(C)N2 Q55371 [1,0,0,0,0,0|2,0,0]=3 10 B13R2.581 COC1=CC=CC2=C1CC(=O)N2 M15257 [1,0,0,0,0,0|1,0,0]=2 11 B13R2.581 COC1=CC=CC2=C1N=C(S)S2 L18996 [1,0,0,0,0,0|1,1,1]=4 12 B13R2.581 COC1=NC=CC2=C1CC(=O)N2 Q53521 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.581 N#CC1=CC=CC2=C1CC(=O)N2 G-7095 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.4825 CC1C(=O)NC2=C1C=CC=C2F L22006 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.4825 CN1C(=O)CC2=C1C=CC=C2Br G-6689 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.4825 O=C1NC2=C(C=CC=C2I)C1=O O32269 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.91 CCC(=O)CC1=CC=CC=C1OC P39132 [0,0,1,0,0,0|3,0,0]=4 18 B13R1.91 COC(=O)CC1=CC=CC=C1OC P39113 [0,0,1,0,0,0|3,0,0]=4 19 B13R1.642 COC1=CC(C(=O)C(=O)O)=CC=C1 P39208 [0,0,1,0,0,0|2,0,1]=4 20 B13R1.642 COC1=CC(C(N)C(=O)O)=CC=C1 P36382 [0,0,1,0,0,0|3,0,0]=4 21 B13R1.642 COC1=CC(C(O)C(=O)O)=CC=C1 P39796 [0,0,1,0,0,0|2,0,0]=3 22 B13R1.642 COC1=CC([C@@H](N)C(=O)O)=CC=C1 P39303 [0,0,1,0,0,0|3,0,0]=4 23 B13R1.642 COC1=CC([C@H](N)C(=O)O)=CC=C1 P42713 [0,0,1,0,0,0|3,0,0]=4 24 B12R1.435 COC1=CC(C(O)CN)=CC=C1 P39138 [1,0,1,0,0,0|1,0,1]=4 25 B12R1.440 COC1=C(Cl)C(C(=O)O)=CC=C1 Q66689 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.440 COC1=C(F)C(C(=O)O)=CC=C1 Q67065 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.440 COC1=C(N)C(C(=O)O)=CC=C1 G-7024 [1,0,1,0,0,0|1,0,0]=3 28 B12R1.440 COC1=CC=CC([N+](=O)[O-])=C1N P51314 [1,0,1,0,0,0|0,0,2]=4 29 B12R1.440 COC1=NC=CC(C(=O)O)=C1N Q69141 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.75 COC1=C(CC(=O)O)C=CC=N1 Q60487 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.75 COC1=CC=CN=C1CC(=O)O Q52077 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.75 CSC1=C(NC(C)=O)C=CC=C1 O33939 [1,0,1,0,0,0|1,1,0]=4 33 B12R1.371 O=C(CCl)NC1=CC=CC=C1O Q69317 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.225 CC1=CC(C(O)C(=O)O)=CC=C1 P36822 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.438 COC1=CC(CC(C)=O)=CC=C1 P38947 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.1879 COC1=C(C=O)C(SC)=CC=C1 N26920 [1,0,1,0,0,0|2,0,0]=4 37 B12R2.315 COC1=C2C=CNC2=CN=C1 P45704 [2,0,0,0,0,0|2,0,0]=4 38 B12R2.315 COC1=C2NC=CC2=CN=C1 P48600 [2,0,0,0,0,0|2,0,0]=4 39 B12R2.315 COC1=C2NC=CC2=NC=C1 L18285 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.315 COC1=C2NN=CC2=CC=C1 N24646 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.315 COC1=C2NN=NC2=CC=C1 O32430 [2,0,0,0,0,0|1,0,1]=4 42 B12R2.315 COC1=C2OC=CC2=CC=C1 P36448 [2,0,0,0,0,0|2,0,0]=4 43 B12R2.315 COC1=CC=CC2=C1C=NN2 G-5560 [2,0,0,0,0,0|2,0,0]=4 44 B12R2.315 COC1=CC=CC2=C1CCN2 O32260 [2,0,0,0,0,0|1,0,1]=4 45 B12R2.315 COC1=CC=NC2=C1C=CN2 G-5297 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.315 COC1=NC=CC2=C1C=CN2 M15271 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.315 COC1=NC=CC2=C1NC=C2 G-6657 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.202 CC1=C2CC(=O)NC2=NC=C1 Q55135 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.202 CC1=C2NC(Cl)=NC2=CC=C1 M15611 [2,0,0,0,0,0|1,0,1]=4 50 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 M15511 [2,0,0,0,0,0|1,0,0]=3 51 B12R2.202 CC1=CC=NC2=C1NC(=O)C2 Q54343 [2,0,0,0,0,0|2,0,0]=4 52 B12R2.202 NC1=CC=CC2=C1CC(=O)N2 O30052 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.202 O=C1CC2=C(C=CC=C2Br)N1 S86334 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.202 O=C1CC2=C(C=CC=C2I)N1 M15095 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 M15233 [2,0,0,0,0,0|1,0,0]=3 56 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 O32907 [2,0,0,0,0,0|2,0,0]=4 57 B14R1.965 COC1=CC=CC=C1NC(=O)CC#N P36910 [0,1,1,0,0,0|2,0,0]=4 58 B14R1.3135 COC1=CC=CC=C1CC(=O)C(=O)O P35924 [0,1,1,0,0,0|2,0,0]=4 59 B14R2.1072 COC1=CC=CC2=C1NC=C2C=O Q54289 [1,1,0,0,0,0|1,0,1]=4 60 B14R2.1745 COC1=CC=C(Br)C2=C1NC=C2I Q54238 [1,1,0,0,0,0|2,0,0]=4 61 B14R2.1726 COC1=C2C=C(C)NC2=C(F)C=C1 P48251 [1,1,0,0,0,0|2,0,0]=4 62 B14R2.1726 COC1=CC=C(Br)C2=C1NC(=O)C2 Q54236 [1,1,0,0,0,0|1,0,0]=3 63 B14R2.1925 COC1=C2N=C(C)NC2=CC(Cl)=C1 O31567 [1,1,0,0,0,0|1,0,1]=4 64 B14R2.11647 CCC1=CC2=C(C=CC=C2OC)N1 Q55320 [1,1,0,0,0,0|2,0,0]=4 65 B14R2.11647 COC1=C2C=C(C=O)NC2=NC=C1 P45807 [1,1,0,0,0,0|2,0,0]=4 66 B14R2.11647 COC1=CC=CC2=C1C=C(C=O)N2 Q60283 [1,1,0,0,0,0|1,0,0]=3 67 B14R2.11647 COC1=CC=CC2=C1NC(C=O)=C2 Q60249 [1,1,0,0,0,0|1,0,0]=3 68 B16R2.36854 COC1=CC=NC2=C1C(=O)NC(=O)N2C L20308 [0,1,0,0,0,1|2,0,0]=4 69 B16R2.172725 COC(=O)C1=CC=CC2=C1NC(=O)C2=O L13566 [0,2,0,0,0,0|1,0,1]=4 70 B16R2.172725 COC(=O)C1=CC=CC2=C1NC(=O)C2C Q54210 [0,2,0,0,0,0|2,0,0]=4 71 B14R2.11689 COC1=CC=CC2=C1C(C=O)=NN2 Q60401 [0,0,1,1,0,0|2,0,0]=4 72 B14R2.8038 CN1C(=O)NCC2=C(N)C=CC=C21 H-8391 [1,0,0,0,0,1|2,0,0]=4 73 B14R2.28472 O=C1NC2=C(NC1=O)C(O)=CC=C2 O29383 [1,0,0,0,0,1|1,0,1]=4 74 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 P50973 [0,0,0,0,1,1|1,0,1]=4