0 B17R2.10205 [2H]\C(C1=CC=CC=C1)=C(\[2H])C2=CC=CC=C2 D97936 [0,0,0,0,0,0|2,0,1]=3 1 B16R2.88 N[C@@H](CC1=CC=CN=C1)C2=CC=CC=C2 F50579 [1,0,0,0,0,0|2,0,1]=4 2 B16R2.88 N[C@@H](CC1=CC=NC=C1)C2=CC=CC=C2 F50580 [1,0,0,0,0,0|2,0,1]=4 3 B16R2.88 N[C@@H](CC1=NC=CC=C1)C2=CC=CC=C2 F50577 [1,0,0,0,0,0|2,0,1]=4 4 B16R2.88 O=C(CC1=CC=CC=C1)C2=CC=NC=C2 N12958 [1,0,0,0,0,0|1,0,0]=2 5 B16R2.88 O=C(CC1=NC=CC=C1)C2=CC=CC=C2 F50578 [1,0,0,0,0,0|1,0,0]=2 6 B18R2.2315 CN[C@H](C1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 W15186 [0,1,0,0,0,0|1,0,1]=3 7 B18R2.2315 N#C[C@@H](C(=O)C1=CC=CC=C1)C2=CC=CC=C2 88704 [0,1,0,0,0,0|1,0,0]=2 8 B18R2.6461 N[C@@H](C(=O)C1=CC=CC=C1)C2=CC(F)=NC=C2 C92293 [0,1,0,0,0,0|2,0,0]=3 9 B18R3.111 BrC1=C(C2=CC=CC=C2)NC3=C1C=CC=C3 D78617 [0,0,0,1,0,0|2,0,1]=4 10 B18R3.111 BrC1=C(C2=CC=CC=C2)SC3=C1C=CC=C3 95204 [0,0,0,1,0,0|1,1,1]=4 11 B18R3.111 O=C1C2=C(CN1C3=CC=CC=C3)N=CC=C2 F17764 [0,0,0,1,0,0|3,0,0]=4 12 B18R2.3634 C[C@H](N[C@@H](C)C1=CC=CC=C1)C2=CC=CC=C2 D75690 [0,0,0,0,0,1|2,0,1]=4 13 B18R2.7204 N[C@@H](C(=O)NC1=CC=CC=C1)C2=CC=CC=C2 F15366 [0,0,0,0,0,1|1,0,0]=2 14 B18R2.7204 O=C(NC1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 F15107 [0,0,0,0,0,1|0,0,0]=1 15 B15R2.2195 C1=CC=C(COC2=CN=CC=C2)C=C1 W18609 [2,0,0,0,0,0|2,0,0]=4 16 B17R2.162 N#C[C@@H](CC1=CC=CC=C1)C2=CC=CC=C2 AC5923 [1,1,0,0,0,0|1,0,1]=4 17 B17R2.162 O\N=C(/CC1=CC=CC=C1)C2=CC=CC=C2 C16802 [1,1,0,0,0,0|0,0,1]=3 18 B17R2.192 CC1=CC=C([S@](=O)NC2=CC=CC=C2)C=C1 F15144 [1,1,0,0,0,0|2,0,0]=4 19 B17R2.192 O=C(CC1=CC=CC=C1)C2=NC=C(Cl)C=C2 N14255 [1,1,0,0,0,0|1,0,0]=3 20 B17R2.192 O=C(CC1=CC=NC=C1)C2=CC=C(F)C=C2 80632 [1,1,0,0,0,0|1,0,0]=3 21 B17R2.192 O=C(CC1=CN=CC=C1)C2=CC=C(Cl)C=C2 57880 [1,1,0,0,0,0|1,0,0]=3 22 B17R2.209 O=C(NC1=CC=C(Br)C=C1)C2=CC=CC=C2 C16357 [1,1,0,0,0,0|1,0,0]=3 23 B17R2.3417 FC1=C(C(=S)NC2=CC=CC=C2)C=CC=C1 97986 [1,1,0,0,0,0|1,1,0]=4 24 B17R2.3417 NC1=C(C(=O)OC2=CC=CC=C2)C=CC=C1 T71535 [1,1,0,0,0,0|1,0,0]=3 25 B17R2.3417 O=C(NC1=CC=CC=C1)C2=C(Cl)C=CC=C2 83488 [1,1,0,0,0,0|1,0,0]=3 26 B17R2.3417 O=C(NC1=CC=CC=C1)C2=C(F)C=CC=C2 78467 [1,1,0,0,0,0|1,0,0]=3 27 B17R2.5273 O=C(CC1=CC=CC=C1)C2=CC(Br)=CN=C2 N14273 [1,1,0,0,0,0|1,0,0]=3 28 B17R2.5273 O=C(CC1=CC=CC=C1)C2=NC=CC(Cl)=C2 N14252 [1,1,0,0,0,0|1,0,0]=3 29 B17R2.5273 O=C(CC1=CN=CC=C1)C2=CC=CC(Cl)=C2 57882 [1,1,0,0,0,0|1,0,0]=3 30 B17R2.5293 O=C(CC1=CC(F)=NC=C1)C2=CC=CC=C2 C92292 [1,1,0,0,0,0|1,0,0]=3 31 B17R2.5293 O=C(NC1=CC(Cl)=NC=C1)C2=CC=CC=C2 D81155 [1,1,0,0,0,0|2,0,0]=4 32 B19R2.283 O=C(NC1=CC=CC=C1)[C@H](O)C2=CC=C(Br)C=C2 F15352 [0,1,0,0,0,1|0,0,0]=2 33 B19R2.283 O=C(NC1=CC=CC=C1)[C@H](O)C2=CC=C(Cl)C=C2 F15351 [0,1,0,0,0,1|0,0,0]=2 34 B19R2.4181 CC1=CC=C(NC(=O)[C@H](O)C2=CC=CC=C2)C=C1 F15154 [0,1,0,0,0,1|0,0,0]=2 35 B19R2.7669 CN(CC1=CC=CC=C1)C(=O)C2=CC(N)=CC=C2 F21190 [0,1,0,0,0,1|2,0,0]=4 36 B19R2.7669 O=C(NC1=CC=CC=C1)[C@H](O)C2=CC=CC(Cl)=C2 F15353 [0,1,0,0,0,1|0,0,0]=2 37 B19R2.2170 N#C[C@@H](C(=O)C1=CN=CC=C1)C2=CC=C(F)C=C2 A10177 [0,2,0,0,0,0|2,0,0]=4 38 B19R2.2278 N#C[C@@H](C(=O)C1=CC=C(F)C=C1)C2=CC=NC=C2 AC4360 [0,2,0,0,0,0|2,0,0]=4 39 B19R2.12366 O=C(C1=CC=C(Cl)C=C1)[C@H](O)C2=CC=C(Cl)C=C2 D77371 [0,2,0,0,0,0|0,0,0]=2 40 B19R2.49544 CC(O)(C1=CC=CC=C1)C(C)(O)C2=CC=CC=C2 C15024 [0,2,0,0,0,0|0,0,2]=4 41 B17R3.8708 C1=CC=C(C2=CC3=C(C=CC=C3)O2)C=C1 54408 [1,0,0,1,0,0|0,0,1]=3 42 B17R3.8708 C1=CC=C(N2C=C3C=CC=CC3=N2)C=C1 52798 [1,0,0,1,0,0|2,0,0]=4 43 B19R3.27 C1=CC=C(C2=COC(C3=CC=CC=C3)=N2)C=C1 T71374 [0,0,0,1,0,1|1,0,1]=4 44 B19R3.27 C1=CC=C(C2=NO[C@H](C3=CC=CC=C3)C2)C=C1 N13330 [0,0,0,1,0,1|1,0,0]=3 45 B19R3.182 O=C1C2=C(C=CC=C2)CN1CC3=CC=CC=C3 59725 [0,0,0,1,0,1|2,0,0]=4 46 B19R3.17406 O=C1C2=C(C=CC=C2)C(C3=CC=CC=C3)C1O C92581 [0,0,0,1,0,1|0,0,0]=2 47 B19R3.12752 CC1=CC=C(N2CC3=C(C=CC=C3)C2=O)C=C1 59727 [0,1,0,1,0,0|2,0,0]=4 48 B19R3.6048 O=C1C2=C(C=CC=C2)CCN1C3=CC=CC=C3 D85493 [0,1,0,1,0,0|2,0,0]=4 49 B19R3.6048 O=C1C2=C(C=CC=C2)N=NN1C3=CC=CC=C3 D74469 [0,1,0,1,0,0|2,0,0]=4 50 B15R2.64 O=C(CC1=CC=CC=C1)C2=CC=CO2 N14290 [1,0,0,0,1,0|1,0,0]=3 51 B15R2.2226 N[C@@H](C1=CC=CC=C1)C2=CC=NC=C2 AT26588 [1,0,0,0,1,0|2,0,0]=4 52 B15R2.2226 O=C(C1=CN=CC=C1)C2=NC=CC=C2 C10337 [1,0,0,0,1,0|2,0,0]=4 53 B15R2.2226 O=[13C](C1=CC=CC=C1)C2=CC=CC=C2 D99418 [1,0,0,0,1,0|0,0,0]=2 54 B15R2.2226 O[C@@H](C1=CC=CC=C1)C2=CN=CC=C2 AR2837 [1,0,0,0,1,0|1,0,0]=3 55 B17R2.143 NC(CC1=CC=CC=C1)CC2=CC=CC=C2 E10206 [1,0,0,0,0,1|1,0,1]=4 56 B17R2.2342 O=C(NCC1=NC=CN=C1)C2=CC=CC=C2 C91464 [1,0,0,0,0,1|2,0,0]=4 57 B19R2.8924 N[C@@H](CC1=CC=CC=C1)C(=O)NC2=CC=CC=C2 F15215 [0,0,0,0,0,2|1,0,0]=3 58 B19R2.8924 N[C@@H](CC1=CC=CC=C1)C(=O)NC2=NC=CC=C2 F15372 [0,0,0,0,0,2|2,0,0]=4 59 B19R2.8924 O=C(NC1=CC=CC=C1)[C@@H](O)CC2=CC=CC=C2 F15280 [0,0,0,0,0,2|0,0,0]=2 60 B19R2.16158 C[C@@H](CCC1=NC=CC=C1)C(=O)C2=CC=CC=C2 N17084 [0,0,0,0,0,2|2,0,0]=4