0 B17R2.10205 N[C@@H](C1=CC=CC=C1)[C@H](N)C2=CC=CC=C2 BBL104274 [0,0,0,0,0,0|2,0,1]=3 1 B17R2.10205 O=C(C1=CC=CC=C1)C(O)C2=CC=CC=C2 BBL011613 [0,0,0,0,0,0|0,0,0]=0 2 B16R2.88 CC(NC1=CC=CC=C1)C2=CC=CC=N2 BBL010988 [1,0,0,0,0,0|3,0,0]=4 3 B16R2.88 CC(NC1=CC=CC=C1)C2=CN=CC=C2 BBL010960 [1,0,0,0,0,0|3,0,0]=4 4 B16R2.88 NN(CC1=CC=CC=C1)C2=CC=CC=C2 BBL034708 [1,0,0,0,0,0|2,0,0]=3 5 B16R2.88 S=C(NC1=CC=CC=C1)C2=CC=CC=C2 BBL000179 [1,0,0,0,0,0|1,1,0]=3 6 B18R2.250 C(Br)(C(=O)C1=CC=C(Br)C=C1)C2=CC=CC=C2 BBL028547 [0,1,0,0,0,0|1,0,0]=2 7 B18R2.250 O=C(C1=CC=C(Cl)C=C1)C(Br)C2=CC=CC=C2 BBL028037 [0,1,0,0,0,0|1,0,0]=2 8 B18R2.2315 N\N=C(\C(=O)C1=CC=CC=C1)C2=CC=CC=C2 BBL027649 [0,1,0,0,0,0|1,0,1]=3 9 B18R2.2315 O\N=C(\C1=CC=CC=C1)C(O)C2=CC=CC=C2 BBL001153 [0,1,0,0,0,0|0,0,1]=2 10 B18R2.3988 CN(C(=O)C1=CC=CC=C1N)C2=CC=CC=C2 BBL028572 [0,1,0,0,0,0|2,0,0]=3 11 B18R3.111 CN1C2=CC=CC=C2C=C1C3=CC=CC=C3 BBL012866 [0,0,0,1,0,0|3,0,0]=4 12 B18R3.111 NC1=C(C2=CC=CC=C2)NC3=C1C=CC=C3 BBL029168 [0,0,0,1,0,0|2,0,1]=4 13 B18R3.111 O=C1C2=C(C=CC=C2)CN1C3=CC=CC=C3 BBL018973 [0,0,0,1,0,0|2,0,0]=3 14 B15R2.2195 C1=CC=C(COC2=CC=CC=C2)C=C1 BBL100307 [2,0,0,0,0,0|1,0,0]=3 15 B15R2.2195 C1=CC=C([Se][Se]C2=CC=CC=C2)C=C1 BBL011512 [2,0,0,0,0,0|2,0,0]=4 16 B17R2.192 NC1=CC=C(C(=O)NC2=CC=NC=C2)C=C1 BBL019890 [1,1,0,0,0,0|2,0,0]=4 17 B17R2.192 NC1=CC=C(C(=O)NC2=CN=CC=C2)C=C1 BBL009606 [1,1,0,0,0,0|2,0,0]=4 18 B17R2.192 NC1=CC=C(C(=O)NC2=NC=CC=C2)C=C1 BBL003466 [1,1,0,0,0,0|2,0,0]=4 19 B17R2.192 O=C(CC1=CC=CC=C1)C2=CC=C(Br)C=C2 BBL027816 [1,1,0,0,0,0|0,0,0]=2 20 B17R2.192 O=C(CC1=CC=CC=C1)C2=CC=C(F)C=C2 BBL027844 [1,1,0,0,0,0|0,0,0]=2 21 B17R2.209 NC1=CC=C(NC(=O)C2=CC=CC=C2)C=C1 BBL000215 [1,1,0,0,0,0|1,0,0]=3 22 B17R2.209 NC1=CC=C(NC(=O)C2=CC=CN=C2)C=C1 BBL029684 [1,1,0,0,0,0|2,0,0]=4 23 B17R2.3417 NC1=CC=CC=C1C(=O)NC2=CN=CC=C2 BBL029841 [1,1,0,0,0,0|2,0,0]=4 24 B17R2.3417 NC1=CC=CC=C1C(=O)NC2=NC=CC=C2 BBL002148 [1,1,0,0,0,0|2,0,0]=4 25 B17R2.5273 NC1=CC(C(=O)NC2=CC=CC=N2)=CC=C1 BBL028601 [1,1,0,0,0,0|2,0,0]=4 26 B17R2.5273 NC1=CC(C(=O)NC2=CN=CC=C2)=CC=C1 BBL009608 [1,1,0,0,0,0|2,0,0]=4 27 B17R2.5273 NC1=CC=CC(C(=O)NC2=CC=CC=C2)=C1 BBL023047 [1,1,0,0,0,0|1,0,0]=3 28 B17R2.5293 NC1=CC(NC(=O)C2=CC=NC=C2)=CC=C1 BBL028828 [1,1,0,0,0,0|2,0,0]=4 29 B17R2.5293 NC1=CC=CC(NC(=O)C2=CC=CC=C2)=C1 BBL000074 [1,1,0,0,0,0|1,0,0]=3 30 B17R2.5293 NC1=CC=CC(NC(=O)C2=CC=CN=C2)=C1 BBL009607 [1,1,0,0,0,0|2,0,0]=4 31 B19R2.5647 CC(NC(=O)C1=CC=CC=C1N)C2=CC=CC=C2 BBL008609 [0,1,0,0,0,1|1,0,0]=3 32 B19R2.283 CN(CC1=CC=CC=C1)C(=O)C2=CC=C(N)C=C2 BBL031499 [0,1,0,0,0,1|2,0,0]=4 33 B19R2.282 CN(C(=O)C1=CC=CC(N)=C1)C2=CC=C(O)C=C2 BBL033079 [0,2,0,0,0,0|2,0,0]=4 34 B19R2.2684 COC1=CC=C(C(=O)N(O)C2=CC=CC=C2)C=C1 BBL028260 [0,2,0,0,0,0|1,0,0]=3 35 B17R3.8708 C1=CC=C(C2=CC3=CC=CC=C3N2)C=C1 BBL007843 [1,0,0,1,0,0|1,0,1]=4 36 B17R3.8708 C1=CC=C(C2=NC3=C(C=CC=C3)N2)C=C1 BBL000186 [1,0,0,1,0,0|2,0,0]=4 37 B17R3.54615 O=C1NC2=C(C=CC=C2)C3=CC=CC=C13 BBL034640 [1,0,0,1,0,0|1,0,0]=3 38 B19R3.9171 O=C1CC(C2=CC=CC=C2)OC3=C1C=CC=C3 BBL027613 [0,0,0,1,0,1|0,0,0]=2 39 B19R3.9171 O=C1NC(C2=CC=NC=C2)NC3=CC=CC=C13 BBL029190 [0,0,0,1,0,1|2,0,0]=4 40 B19R3.9171 O=C1NC(C2=CN=CC=C2)NC3=CC=CC=C13 BBL028311 [0,0,0,1,0,1|2,0,0]=4 41 B19R3.2937660 O=C1OC(=O)C2=C(C=CC=C2)C3=C1C=CC=C3 BBL027491 [0,0,0,1,0,1|0,0,2]=4 42 B19R3.1799922 NC(C1=CC=CC=C1)C2=NC3=CC=CC=C3N2 BBL030152 [0,0,0,1,0,1|2,0,0]=4 43 B19R3.12752 CC1=CC=C(N2CC3=CC=CC=C3C2=O)C=C1 BBL018909 [0,1,0,1,0,0|2,0,0]=4 44 B19R3.2293 O=CC1=C(C2=CC=CC=C2)NC3=CC=CC=C31 BBL022404 [0,1,0,1,0,0|1,0,1]=4 45 B19R3.2487 O=C(C1=CC=CC=C1)N2C=CC3=C2C=CC=C3 BBL010655 [0,1,0,1,0,0|2,0,0]=4 46 B15R2.64 O=C(CC1=CC=CC=C1)C2=CC=CS2 BBL039041 [1,0,0,0,1,0|1,0,0]=3 47 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 BBL009929 [1,0,0,0,1,0|1,0,0]=3 48 B15R2.2226 NN(C1=CC=CC=C1)C2=CC=CC=C2 BBL027997 [1,0,0,0,1,0|2,0,0]=4 49 B15R2.2226 O=C(C1=CC=CC=C1)C2=CN=CC=C2 BBL011708 [1,0,0,0,1,0|1,0,0]=3 50 B17R2.143 N=C(NC1=CC=CC=C1)NC2=CC=CC=C2 BBL011030 [1,0,0,0,0,1|2,0,0]=4 51 B17R2.143 [O-]\C(=N/C1=CC=CC=C1)NC2=CC=CC=C2 BBL002892 [1,0,0,0,0,1|1,0,1]=4 52 B17R2.2342 O=C(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 BBL010497 [1,0,0,0,0,1|0,0,1]=3