0 B14R2.6 C1=CC=C(NC2=CC=CC=C2)C=C1 T8048 [1,0,0,0,0,0|1,0,0]=2 1 B14R2.6 C1=CC=C(OC2=CC=CC=C2)C=C1 T0621 [1,0,0,0,0,0|1,0,0]=2 2 B14R2.6 c1ccc(Sc2ccccc2)cc1 T0574 [1,0,0,0,0,0|1,0,0]=2 3 B16R2.120 O=C(c1ccccc1)c2ccc(O)cc2 T0624 [0,1,0,0,0,0|0,0,0]=1 4 B16R2.187 N#CC(c1ccccc1)c2ccccc2 T0623 [0,1,0,0,0,0|1,0,1]=3 5 B16R2.2945 ClC(Cl)(c1ccccc1)c2ccccc2 T0544 [0,1,0,0,0,0|1,0,1]=3 6 B16R2.3896 Cc1ccccc1C(O)c2ccccc2 T0566 [0,1,0,0,0,0|0,0,2]=3 7 B16R2.3896 O=C(c1ccccc1)c2ccccc2Cl T0633 [0,1,0,0,0,0|0,0,0]=1 8 B16R3.20606 C1(O)c2ccccc2-c3ccccc31 T8633 [0,0,0,1,0,0|0,0,2]=3 9 B16R3.20606 O=C1C2=NC=CC=C2C3=CC=CN=C13 T18971 [0,0,0,1,0,0|2,0,0]=3 10 B16R2.88 N[C@@H](CC1=CC=CC=N1)C2=CC=CC=C2 T15706 [0,0,0,0,0,1|2,0,1]=4 11 B16R2.88 O=C(Oc1ccccc1)c2ccccc2 T5651 [0,0,0,0,0,1|0,0,0]=1 12 B16R2.88 S=C(Nc1ccccn1)c2ccccn2 T5211 [0,0,0,0,0,1|2,1,0]=4 13 B17R2.3417 O=C(NC1=CC=CC=C1)C2=CC=CC=C2I T3601 [0,1,0,0,0,1|0,0,0]=2 14 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2O T0753 [0,1,0,0,0,1|0,0,0]=2 15 B17R2.3426 Nc1ccccc1NC(=O)c2cnccn2 T2294 [0,1,0,0,0,1|2,0,0]=4 16 B17R2.5293 O=C(NC1=CC=CC(Cl)=C1)C2=NC=CC=C2 T13317 [0,1,0,0,0,1|1,0,0]=3 17 B17R2.5293 O=C(Nc1cccc(Cl)c1)c2ccccn2 T6727 [0,1,0,0,0,1|1,0,0]=3 18 B17R2.10205 O=C(c1ccccc1)C(O)c2ccccc2 T3939 [0,1,0,0,0,1|0,0,0]=2 19 B17R2.203 CC(C)(c1ccccc1)c2ccc(O)cc2 T5628 [0,2,0,0,0,0|1,0,1]=4 20 B17R2.217 O=C(c1ccc(O)cc1)c2ccc(Cl)cc2 T1344 [0,2,0,0,0,0|0,0,0]=2 21 B17R2.381 Nc1ccccc1C(=O)c2ccc(F)cc2 T7937 [0,2,0,0,0,0|0,0,0]=2 22 B17R2.381 O=C(c1ccc(O)cc1)c2ccccc2O T7036 [0,2,0,0,0,0|0,0,0]=2 23 B17R2.159 NCCC(c1ccccc1)c2ccccc2 T0560 [0,2,0,0,0,0|1,0,1]=4 24 B17R2.5356 Nc1ccc(Cl)cc1C(=O)c2ccccc2 T1685 [0,2,0,0,0,0|0,0,0]=2 25 B15R3.3 c1ccc-2c(c1)[I+]c3ccccc32 T7191 [1,0,0,1,0,0|1,0,0]=3 26 B15R3.3 c1ccc2c(c1)sc3ccccc32 T0352 [1,0,0,1,0,0|1,0,0]=3 27 B17R3.54615 OC1=CC2=C(C=CC=C2)C3=C1C=CC=C3 T22537 [0,0,0,1,0,1|0,0,1]=3 28 B17R3.35227 C[n+]1c2ccccc2nc3ccccc31 T8138 [0,1,0,1,0,0|2,0,0]=4 29 B17R3.35227 Nc1c2ccccc2nc3ccccc13 T0289 [0,1,0,1,0,0|1,0,0]=3 30 B17R3.35227 O=c1c2ccccc2oc3ccccc13 T2982 [0,1,0,1,0,0|0,0,0]=2 31 B17R3.35227 OC1c2ccccc2Oc3ccccc31 T4582 [0,1,0,1,0,0|0,0,2]=4 32 B13R2.3 C1=CC=C(C2=CC=CC=N2)N=C1 T23274 [1,0,0,0,1,0|2,0,0]=4 33 B13R2.3 C1=CC=C(C2=CC=CC=N2)N=C1 T23275 [1,0,0,0,1,0|2,0,0]=4 34 B13R2.3 C1=CC=C(C2=CC=CC=N2)N=C1 T23276 [1,0,0,0,1,0|2,0,0]=4 35 B13R2.3 C1=CC=C(C2=CC=CC=N2)N=C1 T23278 [1,0,0,0,1,0|2,0,0]=4 36 B15R2.2195 C(=C\c1ccccc1)/c2ccccc2 TN2282 [1,0,0,0,0,1|0,0,0]=2 37 B15R2.2195 c1ccc(CNc2ccccc2)cc1 T0651 [1,0,0,0,0,1|0,0,1]=3 38 B15R2.2195 c1ccc(\N=N\c2ccccc2)cc1 T0609 [1,0,0,0,0,1|1,0,0]=3 39 B15R2.64 O=C(Nc1cccnc1)c2cccs2 T8762 [0,0,0,0,1,1|2,0,0]=4 40 B17R2.143 O=C(Nc1ccccc1)Nc2ccccc2 T2716 [0,0,0,0,0,2|0,0,0]=2 41 B17R2.2342 O=C(NNc1ccccc1)c2ccncc2 T1869 [0,0,0,0,0,2|1,0,0]=3 42 B17R2.2342 O=C(OCc1ccccc1)c2ccccc2 T0729 [0,0,0,0,0,2|0,0,0]=2 43 B17R2.2342 O=C(OCc1ccccc1)c2cccnc2 T7713 [0,0,0,0,0,2|1,0,0]=3 44 B17R2.2342 O=C(\C=C\c1ccccc1)c2ccccc2 T2S0961 [0,0,0,0,0,2|0,0,0]=2 45 B17R2.2342 O=C(\C=C\c1ccccc1)c2ccccc2 T3322 [0,0,0,0,0,2|0,0,0]=2 46 B17R2.2342 O=C(\C=C\c1cccnc1)c2ccncc2 T3260 [0,0,0,0,0,2|2,0,0]=4