0 B17R2.10205 O=C(C(=O)c1ccccc1)c2ccccc2 T20305 [0,0,0,0,0,0|0,0,2]=2 1 B17R2.10205 OC(C(=O)c1ccccc1)c2ccccc2 T3939 [0,0,0,0,0,0|0,0,0]=0 2 B17R2.10205 O[C@@H]([C@H](O)c1ccccc1)c2ccccc2 T19540 [0,0,0,0,0,0|0,0,2]=2 3 B16R2.88 N[C@H](C1=CC=CC=C1)CC2=CC=CC=N2 T15706 [1,0,0,0,0,0|2,0,1]=4 4 B16R2.88 O=C(C1=CC=CN=C1)NC2=NC=CC=C2 T33664 [1,0,0,0,0,0|3,0,0]=4 5 B16R2.88 O=C(Cc1ccccc1)c2ccccc2 T20347 [1,0,0,0,0,0|0,0,0]=1 6 B16R2.88 O=C(Oc1ccccc1)c2ccccc2 T5651 [1,0,0,0,0,0|1,0,0]=2 7 B16R2.88 O=C(Oc1ccccc1)c2cccnc2 T34017 [1,0,0,0,0,0|2,0,0]=3 8 B16R2.88 [O-]/[N+](=N\c1ccccc1)c2ccccc2 T20284 [1,0,0,0,0,0|2,0,1]=4 9 B18R2.2315 COC(C(=O)c1ccccc1)c2ccccc2 T7925 [0,1,0,0,0,0|0,0,0]=1 10 B18R2.2315 O/N=C(/C(O)c1ccccc1)c2ccccc2 T20409 [0,1,0,0,0,0|0,0,1]=2 11 B18R2.14825 CC(C)(C(=O)c1cccnc1)c2cccnc2 T0293 [0,1,0,0,0,0|3,0,0]=4 12 B18R3.111 O=c1n([se]c2ccccc12)-c3ccccc3 T0825 [0,0,0,1,0,0|1,1,0]=3 13 B18R2.3634 C/C(=C\C(=O)c1ccccc1)c2ccccc2 T31589 [0,0,0,0,0,1|1,0,1]=3 14 B15R2.2195 C(=Cc1ccccc1)c2ccccc2 TN2282 [2,0,0,0,0,0|0,0,1]=3 15 B15R2.2195 C(=N\c1ccccc1)/c2ccccc2 T20318 [2,0,0,0,0,0|1,0,0]=3 16 B15R2.2195 C(Nc1ccccc1)c2ccccc2 T0651 [2,0,0,0,0,0|1,0,0]=3 17 B15R2.2195 c1ccc(cc1)/N=N/c2ccccc2 T0609 [2,0,0,0,0,0|2,0,0]=4 18 B17R2.209 Cc1ccc(CC(N)c2ccccc2)cc1 T29536 [1,1,0,0,0,0|1,0,1]=4 19 B17R2.3417 Ic1ccccc1C(=O)Nc2ccccc2 T3601 [1,1,0,0,0,0|1,0,0]=3 20 B17R2.3417 Nc1ccccc1C(=O)Nc2ccccc2 T19097 [1,1,0,0,0,0|1,0,0]=3 21 B17R2.3417 Oc1ccccc1C(=O)Nc2ccccc2 T0753 [1,1,0,0,0,0|1,0,0]=3 22 B17R2.3417 Oc1ccccc1C(=O)Oc2ccccc2 T20250 [1,1,0,0,0,0|1,0,0]=3 23 B17R2.5293 Cc1cccc(OC(=O)c2ccccc2)c1 T31093 [1,1,0,0,0,0|1,0,0]=3 24 B17R2.5293 Clc1cccc(NC(=O)c2ccccn2)c1 T13317 [1,1,0,0,0,0|2,0,0]=4 25 B17R2.5293 Clc1cccc(NC(=O)c2ccccn2)c1 T6727 [1,1,0,0,0,0|2,0,0]=4 26 B17R2.20249 CC(N)(Cc1ccccc1)c2ccccc2 T50052 [1,1,0,0,0,0|1,0,1]=4 27 B19R2.201 O=C(OC(C#N)c1ccccc1)c2ccccc2 T33173 [0,1,0,0,0,1|1,0,0]=3 28 B19R2.201 OC/C(=C\C(=O)c1ccccc1)c2ccccc2 T24834 [0,1,0,0,0,1|0,0,1]=3 29 B17R3.8708 c1c(oc2ccccc12)-c3ccncc3 T34202 [1,0,0,1,0,0|1,0,1]=4 30 B17R3.54615 O=c1[nH]c2ncccc2c3ccccc13 T29170 [1,0,0,1,0,0|2,0,0]=4 31 B17R3.54615 Oc1cc2ccccc2c3ccccc13 T22537 [1,0,0,1,0,0|0,0,1]=3 32 B19R3.9171 O=C1CC(Oc2ccccc12)c3ccccc3 T0530 [0,0,0,1,0,1|0,0,0]=2 33 B19R3.9171 O=c1cc(oc2ccccc12)-c3ccccc3 T2876 [0,0,0,1,0,1|0,0,1]=3 34 B19R3.1799922 OC(c1nc2ccccc2[nH]1)c3ccccc3 T32109 [0,0,0,1,0,1|1,0,0]=3 35 B19R3.12752 Cc1ccc(cc1)-n2sc3ccccc3c2=O T16435 [0,1,0,1,0,0|1,1,0]=4 36 B19R3.6048 O=C1C(CCc2ccccc12)c3cccnc3 T28873 [0,1,0,1,0,0|2,0,0]=4 37 B19R3.6048 O=c1c(coc2ccccc12)-c3ccccc3 T8194 [0,1,0,1,0,0|0,0,1]=3 38 B19R3.6049 O=C1C(C(=O)c2ccccc12)c3ccccc3 T0514 [0,1,0,1,0,0|0,0,1]=3 39 B19R3.6049 O=C1N(c2ccccc2)[Se](=O)c3ccccc13 T27235 [0,1,0,1,0,0|1,0,1]=4 40 B15R2.2226 ClC(c1ccccc1)c2ccccc2 T20360 [1,0,0,0,1,0|1,0,0]=3 41 B15R2.2226 NC(c1ccccc1)c2ccccc2 T30373 [1,0,0,0,1,0|1,0,0]=3 42 B15R2.2226 O=C(c1ccccc1)c2cccnc2 T20608 [1,0,0,0,1,0|1,0,0]=3 43 B15R2.4461 OC(C(=O)c1ccco1)c2ccco2 T20334 [0,0,0,0,2,0|2,0,0]=4 44 B17R2.143 CN(CC1=CC=CC=C1)CC2=CC=CC=C2 T20910 [1,0,0,0,0,1|2,0,0]=4 45 B17R2.143 CN(CC1=CC=CC=C1)CC2=CC=CC=C2 T20911 [1,0,0,0,0,1|2,0,0]=4 46 B17R2.143 N=C(Nc1ccccc1)Nc2ccccc2 T20253 [1,0,0,0,0,1|2,0,0]=4 47 B17R2.143 O=C(Nc1ccccc1)Nc2ccccc2 T2716 [1,0,0,0,0,1|1,0,0]=3 48 B17R2.2342 O=C(/C=C/c1ccccc1)c2ccccc2 T2S0961 [1,0,0,0,0,1|0,0,1]=3 49 B17R2.2342 O=C(NNc1ccccc1)c2ccncc2 T1869 [1,0,0,0,0,1|2,0,0]=4 50 B17R2.2342 O=C(OCc1ccccc1)c2ccccc2 T0729 [1,0,0,0,0,1|0,0,0]=2 51 B17R2.2342 O=C(OCc1ccccc1)c2cccnc2 T7713 [1,0,0,0,0,1|1,0,0]=3 52 B17R2.2342 OC(CNc1ccccn1)c2ccccc2 T28404 [1,0,0,0,0,1|1,0,1]=4 53 B17R2.2342 c1ccc(cc1)\C=C\C(=O)c2ccccc2 T3322 [1,0,0,0,0,1|0,0,1]=3 54 B19R2.8898 CC(NNC(=O)c1ccccc1)c2ccccc2 T25144 [0,0,0,0,0,2|1,0,0]=3 55 B19R2.8898 O=C(NSC(=O)c1ccccc1)c2ccccc2 T9597 [0,0,0,0,0,2|0,0,2]=4 56 B19R2.16158 OC(C(=O)OCc1ccccc1)c2ccccc2 T20451 [0,0,0,0,0,2|0,0,0]=2