0 B17R2.143 CN(CC1=CC=CC=C1)CC2=CC=CC=C2 AK162499 [0,0,0,0,0,0|2,0,0]=2 1 B17R2.143 O=C(CC1=CC=CC=C1)CC2=CC=CC=C2 AK158939 [0,0,0,0,0,0|0,0,0]=0 2 B17R2.143 O=C(NC1=CC=CC=C1)CC2=CC=CC=C2 AK139966 [0,0,0,0,0,0|1,0,0]=1 3 B17R2.143 O=C(NC1=NC=CC=C1)NC2=NC=CC=C2 AK-32341 [0,0,0,0,0,0|4,0,0]=4 4 B17R2.143 O=C(OC1=NC=CC=C1)OC2=NC=CC=C2 AK-49458 [0,0,0,0,0,0|4,0,0]=4 5 B16R2.2256 C(NCC1=NC=CC=C1)C2=NC=CC=C2 AK-81500 [1,0,0,0,0,0|3,0,0]=4 6 B16R2.2256 C1(N\N=C\C2=CC=CC=C2)=CC=CC=C1 AK167459 [1,0,0,0,0,0|2,0,1]=4 7 B16R2.2256 C1(OCCC2=CC=CC=C2)=CC=CC=C1 AK-84443 [1,0,0,0,0,0|1,0,1]=3 8 B18R2.6478 O=C(NC1=CC=CC=C1)NC2=CC(Cl)=NC=C2 AK-51740 [0,1,0,0,0,0|3,0,0]=4 9 B18R2.7204 CC(OC1=CC=CC=C1)C(C2=CC=CC=C2)O AK318409 [0,1,0,0,0,0|2,0,1]=4 10 B18R2.32233 O=P(OC1=CC=CC=C1)(OC2=CC=CC=C2)O AK117806 [0,1,0,0,0,0|3,0,0]=4 11 B18R3.182 O=C1N(C2=CC=CC=C2)C3=CC=CC=C3N1 AK126036 [0,0,0,1,0,0|2,0,0]=3 12 B18R3.12875 C1(CC2=CC=CC=C2)=NC3=CC=CC=C3N1 AK106243 [0,0,0,1,0,0|2,0,0]=3 13 B16R2.88 CN(CC1=CC=CC=C1)C2=CC=CC=C2 AK114558 [0,0,0,0,1,0|2,0,0]=3 14 B16R2.88 O=C(CC1=CC=NC=C1)C2=CC=CC=C2 AK100106 [0,0,0,0,1,0|1,0,0]=2 15 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=NC=C2 AK-48120 [0,0,0,0,1,0|2,0,0]=3 16 B17R2.2342 CC(C1=CC=CC=C1)CCC2=CC=CC=C2 AK545141 [1,1,0,0,0,0|0,0,1]=3 17 B17R2.2342 C[C@@H](C1=CC=CC=C1)NCC2=CC=CC=C2 AK-41497 [1,1,0,0,0,0|1,0,0]=3 18 B17R2.2342 C[C@@H](NCC1=CC=CC=C1)C2=CC=CC=C2 AK-41673 [1,1,0,0,0,0|1,0,0]=3 19 B17R2.2342 O=C(C1=CC=CC=C1)CCC2=CC=CC=C2 AK-93469 [1,1,0,0,0,0|0,0,2]=4 20 B17R2.2342 O=C(C1=CC=CC=C1)\C=C\C2=CC=CC=C2 AK-93565 [1,1,0,0,0,0|0,0,2]=4 21 B17R2.2342 O=C(NCC1=CC=CC=C1)C2=CC=CC=C2 AK323209 [1,1,0,0,0,0|1,0,1]=4 22 B17R2.2342 OC(C1=CC=CC=C1)COC2=CC=CC=C2 AK318401 [1,1,0,0,0,0|1,0,1]=4 23 B17R2.192 CC1=CC=C(C(CC2=CC=NC=C2)=O)C=C1 AK-44228 [0,1,0,0,1,0|1,0,0]=3 24 B17R2.192 ClC1=CC=C(C=C1)C(=O)CC2=CC=CC=C2 AK-47978 [0,1,0,0,1,0|0,0,0]=2 25 B17R2.192 O=C(NC1=CC=CC=C1)C2=CC=C(N)C=C2 AK158917 [0,1,0,0,1,0|1,0,0]=3 26 B17R2.209 O=C(C1=CC=CN=C1)CC2=CC=C(C)C=C2 AK388018 [0,1,0,0,1,0|1,0,0]=3 27 B17R2.3417 IC1=CC=CN=C1C(=O)NC2=CC=CC=C2 AK-25069 [0,1,0,0,1,0|2,0,0]=4 28 B17R2.3417 O=C(NC1=CC=CN=C1)C2=CC=CC=C2N AK107764 [0,1,0,0,1,0|2,0,0]=4 29 B17R2.5273 O=C(NC1=CC=CC=C1)C2=CC=NC(Cl)=C2 AK-85854 [0,1,0,0,1,0|2,0,0]=4 30 B17R2.5293 O=C(NC1=CC=CC(N)=C1)C2=CC=CC=C2 AK-47910 [0,1,0,0,1,0|1,0,0]=3 31 B17R2.10205 N[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)N AK-34577 [0,1,0,0,1,0|1,0,1]=4 32 B17R2.10205 N[C@H](C1=CC=CC=C1)[C@@H](C2=CC=CC=C2)N AK-40148 [0,1,0,0,1,0|1,0,1]=4 33 B17R2.10205 N[C@H](C1=CC=CC=C1)[C@@H](O)C2=CC=CC=C2 AK-29033 [0,1,0,0,1,0|0,0,2]=4 34 B17R2.10205 N[C@H]([C@H](O)C1=CC=CC=C1)C2=CC=CC=C2 AK-29032 [0,1,0,0,1,0|0,0,2]=4 35 B17R2.10205 ON(C(=O)C1=CC=CC=C1)C2=CC=CC=C2 AK-96012 [0,1,0,0,1,0|1,0,0]=3 36 B19R2.4385 O=C(NC1=CC=CC(O)=C1)\C=C\C2=CC=CC=C2 AK165049 [0,1,0,0,0,1|1,0,1]=4 37 B19R2.4485 O=C(NC1=CC=CC=C1F)\C=C\C2=CC=CC=C2 AK155863 [0,1,0,0,0,1|1,0,1]=4 38 B19R2.11857 O=C(NC1=CC=C(Br)C=C1)CCC2=CC=CC=C2 AK-29136 [0,1,0,0,0,1|1,0,0]=3 39 B19R2.16158 O=C(OCC1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 AK115949 [0,1,0,0,0,1|0,0,0]=2 40 B17R3.8 N1(C2=CC=CC=C2)C=CC3=C1C=CC=C3 AK-45364 [1,0,0,1,0,0|1,0,1]=4 41 B17R3.8 N1(C2=CC=CC=C2)C=NC3=CC=CC=C13 AK123264 [1,0,0,1,0,0|2,0,0]=4 42 B17R3.8708 C1(C2=CC=CC=C2)=NC3=CC=CC=C3N1 AK-50903 [0,0,0,1,1,0|2,0,0]=4 43 B17R3.8708 N1C(=CC2=C1C=CC=C2)C3=CC=CC=C3 AK-29626 [0,0,0,1,1,0|1,0,1]=4 44 B17R3.54615 BrC1=C2C=CC=CC2=C3C=CC=CC3=N1 AK134306 [0,0,0,1,1,0|2,0,0]=4 45 B17R3.54615 BrC1=CC2=CC=CC=C2C3=C1C=CC=C3 AK-87889 [0,0,0,1,1,0|1,0,1]=4 46 B17R3.54615 ClC1=C2C=CC=CC2=C3C=CC=CC3=N1 AK126566 [0,0,0,1,1,0|2,0,0]=4 47 B17R3.54615 O=C1C2=CC=CC=C2C3=C(O1)C=CC=C3 AK155425 [0,0,0,1,1,0|1,0,0]=3 48 B17R3.54615 O=C1NC2=CC=CC=C2C3=C1C=CC=C3 AK-32173 [0,0,0,1,1,0|1,0,0]=3 49 B17R3.54615 O=P1OC2=CC=CC=C2C3=CC=CC=C13 AK-41649 [0,0,0,1,1,0|2,0,0]=4 50 B19R3.294 O=C1NC(C2=CC=CC=C2)C3=C(C=CC=C3)C1 AK-93517 [0,0,0,1,0,1|0,0,0]=2 51 B19R3.294 O=C1OC2=CC=CC=C2C(C3=CC=CC=C3)N1 AK127378 [0,0,0,1,0,1|1,0,0]=3 52 B19R3.241821 ClC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2 AK-49891 [0,1,0,1,0,0|2,0,0]=4 53 B19R3.289 O=C1CC2=CC=CC=C2C3=CC=CC=C3N1C AK-37837 [0,1,0,1,0,0|1,0,0]=3 54 B15R2.2195 C1(OCC2=CC=CC=C2)=CC=NC=C1 AK140678 [1,0,0,0,1,0|2,0,0]=4 55 B15R2.2195 C1(SCC2=CC=CC=C2)=CC=CC=C1 AK116684 [1,0,0,0,1,0|1,0,0]=3 56 B15R2.2226 C=C(C1=CC=CC=C1)C2=CC=CC=C2 AK159989 [0,0,0,0,2,0|1,0,0]=3 57 B15R2.2226 CN(C1=CC=CC=C1)C2=CC=CC=C2 AK105383 [0,0,0,0,2,0|2,0,0]=4 58 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 AK-39058 [0,0,0,0,2,0|1,0,0]=3 59 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 AK114362 [0,0,0,0,2,0|1,0,0]=3 60 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 AK-26071 [0,0,0,0,2,0|1,0,1]=4 61 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CN=C2 AK-57171 [0,0,0,0,2,0|1,0,0]=3 62 B15R2.2226 O=C(C1=CC=CC=C1)C2=NC=CC=C2 AK105906 [0,0,0,0,2,0|1,0,0]=3 63 B15R2.2226 O=C(C1=CC=CN=C1)C2=CC=CN=C2 AK-82131 [0,0,0,0,2,0|2,0,0]=4 64 B15R2.2226 O=C(C1=NC=CC=C1)C2=NC=CC=C2 AK-47987 [0,0,0,0,2,0|2,0,0]=4 65 B15R2.2226 O=S(C1=CC=CC=C1)C2=CC=CC=C2 AK-47566 [0,0,0,0,2,0|1,0,0]=3 66 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=CC=C2 AK105897 [0,0,0,0,2,0|0,0,2]=4 67 B19R2.16162 C1=C(C=CC(C=CC2=CC=CC=C2)=O)C=CC=C1 AK-47489 [0,0,0,0,0,2|0,0,2]=4 68 B19R2.16162 CN(CCC1=CC=CC=C1)CCC2=CC=CC=C2 AK-59086 [0,0,0,0,0,2|2,0,0]=4 69 B19R2.16162 O=C(NNC1=CC=CC=C1)NNC2=CC=CC=C2 AK-45256 [0,0,0,0,0,2|2,0,0]=4 70 B19R2.16162 O=C(\C=C\C1=CC=CC=C1)\C=C\C2=CC=CC=C2 AK-44582 [0,0,0,0,0,2|0,0,2]=4 71 B19R2.16162 O=C(\C=C\C1=CC=CC=C1)\C=C\C2=CC=CC=C2 AK-77431 [0,0,0,0,0,2|0,0,2]=4