0 B15R2.2195 C(=Cc1ccccc1)c2ccccc2 TN2282 [0,0,0,0,0,0|2,0,0]=2 1 B15R2.2195 C(=N\c1ccccc1)/c2ccccc2 T20318 [0,0,0,0,0,0|2,0,0]=2 2 B15R2.2195 C(Nc1ccccc1)c2ccccc2 T0651 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.2195 S(Sc1ccccn1)c2ccccn2 T19780 [0,0,0,0,0,0|2,0,0]=2 4 B15R2.2195 c1ccc(cc1)/N=N/c2ccccc2 T0609 [0,0,0,0,0,0|2,0,0]=2 5 B15R2.2195 c1ccc(cc1)C#Cc2cccnc2 T50090 [0,0,0,0,0,0|3,0,0]=3 6 B16R2.71 Oc1ccccc1NCc2ccccn2 T7490 [0,1,0,0,0,0|3,0,0]=4 7 B16R2.88 N[C@H](C1=CC=CC=C1)CC2=CC=CC=N2 T15706 [0,1,0,0,0,0|3,0,0]=4 8 B16R2.88 O=C(Cc1ccccc1)c2ccccc2 T20347 [0,1,0,0,0,0|2,0,0]=3 9 B16R2.88 O=C(Oc1ccccc1)c2ccccc2 T5651 [0,1,0,0,0,0|1,1,0]=3 10 B16R2.88 O=C(Oc1ccccc1)c2cccnc2 T34017 [0,1,0,0,0,0|2,1,0]=4 11 B16R2.88 [O-]/[N+](=N\c1ccccc1)c2ccccc2 T20284 [0,1,0,0,0,0|2,0,0]=3 12 B16R2.132 Oc1ccc(OCc2ccccc2)cc1 T0759 [0,1,0,0,0,0|1,1,0]=3 13 B16R2.252 Cc1cccc(/C=C\c2ccccc2)n1 T23353 [0,1,0,0,0,0|3,0,0]=4 14 B16R2.252 Cc1cccc(n1)C#Cc2ccccc2 T2497 [0,1,0,0,0,0|3,0,0]=4 15 B16R2.252 Cc1cccc(n1)C#Cc2ccccc2 T6598 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.6 N(c1ccccc1)c2ccccc2 T8048 [0,0,0,0,1,0|1,0,0]=2 17 B14R2.6 S(c1ccccc1)c2ccccc2 T0574 [0,0,0,0,1,0|0,0,0]=1 18 B16R2.2256 C(NCc1ccccc1)c2ccccc2 T20423 [0,0,0,0,0,1|2,0,0]=3 19 B15R2.31 Clc1cccc(Nc2ccccc2)c1 T21220 [0,1,0,0,1,0|1,0,0]=3 20 B15R2.31 Oc1cccc(Nc2ccccc2)c1 T21197 [0,1,0,0,1,0|1,0,0]=3 21 B15R2.2226 ClC(c1ccccc1)c2ccccc2 T20360 [0,1,0,0,1,0|1,0,0]=3 22 B15R2.2226 NC(c1ccccc1)c2ccccc2 T30373 [0,1,0,0,1,0|1,0,0]=3 23 B15R2.2226 O=C(c1ccccc1)c2cccnc2 T20608 [0,1,0,0,1,0|2,0,0]=4 24 B17R2.143 CN(CC1=CC=CC=C1)CC2=CC=CC=C2 T20910 [0,1,0,0,0,1|2,0,0]=4 25 B17R2.143 CN(CC1=CC=CC=C1)CC2=CC=CC=C2 T20911 [0,1,0,0,0,1|2,0,0]=4 26 B17R2.143 N=C(Nc1ccccc1)Nc2ccccc2 T20253 [0,1,0,0,0,1|2,0,0]=4 27 B17R2.143 O=C(Nc1ccccc1)Nc2ccccc2 T2716 [0,1,0,0,0,1|2,0,0]=4 28 B17R2.2342 O=C(/C=C/c1ccccc1)c2ccccc2 T2S0961 [0,1,0,0,0,1|2,0,0]=4 29 B17R2.2342 O=C(OCc1ccccc1)c2ccccc2 T0729 [0,1,0,0,0,1|1,1,0]=4 30 B17R2.2342 c1ccc(cc1)\C=C\C(=O)c2ccccc2 T3322 [0,1,0,0,0,1|2,0,0]=4 31 B17R2.3417 Ic1ccccc1C(=O)Nc2ccccc2 T3601 [0,2,0,0,0,0|2,0,0]=4 32 B17R2.3417 Nc1ccccc1C(=O)Nc2ccccc2 T19097 [0,2,0,0,0,0|2,0,0]=4 33 B17R2.3417 Oc1ccccc1C(=O)Nc2ccccc2 T0753 [0,2,0,0,0,0|2,0,0]=4 34 B17R2.3417 Oc1ccccc1C(=O)Oc2ccccc2 T20250 [0,2,0,0,0,0|1,1,0]=4 35 B17R2.5121 [O-][n+]1ccccc1SSc2cccc[n+]2[O-] T7969 [0,2,0,0,0,0|2,0,0]=4 36 B17R2.5360 Cc1cc(O)ccc1/N=N/c2ccccc2 T33984 [0,2,0,0,0,0|2,0,0]=4 37 B17R2.5360 Oc1ccc(N=Nc2ccccc2)c(O)c1 T8284 [0,2,0,0,0,0|2,0,0]=4 38 B17R2.209 Cc1ccc(CC(N)c2ccccc2)cc1 T29536 [0,2,0,0,0,0|2,0,0]=4 39 B17R2.5293 Cc1cccc(OC(=O)c2ccccc2)c1 T31093 [0,2,0,0,0,0|1,1,0]=4 40 B17R2.10205 O=C(C(=O)c1ccccc1)c2ccccc2 T20305 [0,2,0,0,0,0|2,0,0]=4 41 B17R2.10205 OC(C(=O)c1ccccc1)c2ccccc2 T3939 [0,2,0,0,0,0|2,0,0]=4 42 B17R2.10205 O[C@@H]([C@H](O)c1ccccc1)c2ccccc2 T19540 [0,2,0,0,0,0|2,0,0]=4 43 B17R2.20249 CC(N)(Cc1ccccc1)c2ccccc2 T50052 [0,2,0,0,0,0|2,0,0]=4 44 B17R2.207 Clc1ccc(CSc2ccc(Cl)cc2)cc1 T25241 [0,2,0,0,0,0|1,0,0]=3 45 B17R2.215 Oc1ccc(CCc2cccc(O)c2)cc1 T32959 [0,2,0,0,0,0|2,0,0]=4 46 B17R2.3212 Oc1cc(CCc2ccccc2)cc(O)c1 TN3861 [0,2,0,0,0,0|2,0,0]=4 47 B17R2.3212 Oc1cc(O)cc(/C=C/c2ccccc2)c1 T3843 [0,2,0,0,0,0|2,0,0]=4 48 B17R2.5300 Cc1cccc(c1)/N=N/c2cccc(C)c2 T29380 [0,2,0,0,0,0|2,0,0]=4 49 B15R3.3 [I+]1c2ccccc2-c3ccccc13 T7191 [0,0,0,1,1,0|1,0,0]=3 50 B15R3.3 c1ccc2c(c1)[nH]c3cnccc23 T4024 [0,0,0,1,1,0|2,0,0]=4 51 B15R3.3 c1ccc2c(c1)oc3ccccc23 T20238 [0,0,0,1,1,0|0,1,0]=3 52 B15R3.3 c1ccc2c(c1)sc3ccccc23 T0352 [0,0,0,1,1,0|0,0,0]=2 53 B17R3.1830 C1Cc2ccccc2Nc3ccccc13 T0628 [0,1,0,1,0,0|2,0,0]=4 54 B17R3.1830 N1c2ccccc2C=Cc3ccccc13 T0598 [0,1,0,1,0,0|2,0,0]=4 55 B17R3.54615 Oc1cc2ccccc2c3ccccc13 T22537 [0,1,0,1,0,0|2,0,0]=4 56 B17R2.2382 C(Cc1ccccc1)NCc2ccccc2 T8629 [0,0,0,0,0,2|2,0,0]=4