0 B13R2.57 C=Cc1ccc2ncccc2c1 M28424 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.57 COC1=CC2=CC=CC=C2C=C1 M16659 [0,0,0,0,0,0|0,0,0]=0 2 B12R2.24 O=C1C=CC2=CC=CC=C2O1 M16582 [1,0,0,0,0,0|1,0,1]=3 3 B12R2.24 OC1=CC=C2C=CC=CC2=C1 M11424 [1,0,0,0,0,0|0,0,0]=1 4 B12R2.24 Oc1cnc2ccccc2n1 M28967 [1,0,0,0,0,0|2,0,0]=3 5 B14R2.92 N#CC1=COC2=CC=CC=C2C1=O M14733 [0,1,0,0,0,0|3,0,0]=4 6 B14R2.134 COc1ccc2ccc(=O)oc2c1 M18747 [0,1,0,0,0,0|1,0,0]=2 7 B14R2.142 COc1ccc2c(c1)C(=O)CCC2 M22696 [0,1,0,0,0,0|0,0,3]=4 8 B14R2.142 O=Cc1ccc2cccc(O)c2n1 M18027 [0,1,0,0,0,0|3,0,0]=4 9 B14R2.781 CC(=O)c1ccc2ccccc2c1 M27296 [0,1,0,0,0,0|1,0,0]=2 10 B14R2.781 O=C(O)c1ccc2ccccc2n1 M19672 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.2332 COC1=CC2=C(C=C1)C=C(Br)C=C2 M14761 [0,1,0,0,0,0|0,0,0]=1 12 B12R1.27 COC(=O)CCc1ccccc1 M28729 [0,0,1,0,0,0|1,0,2]=4 13 B12R1.27 COC(=O)\C=C\c1ccccc1 M20228 [0,0,1,0,0,0|1,0,0]=2 14 B12R2.1 O=Cc1coc2ccccc12 M21266 [0,0,0,0,1,0|3,0,0]=4 15 B12R2.1 OCC1=CNC2=C1C=CC=C2 M15686 [0,0,0,0,1,0|3,0,0]=4 16 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 M18165 [1,0,1,0,0,0|1,0,0]=3 17 B11R1.91 NC(=O)\C=C\c1ccccc1 M26562 [1,0,1,0,0,0|1,0,1]=4 18 B11R1.91 O=C(O)\C=C\c1ccccc1 M17997 [1,0,1,0,0,0|1,0,0]=3 19 B11R1.91 O=C(O)\C=C\c1ccccc1 M20349 [1,0,1,0,0,0|1,0,0]=3 20 B11R1.83 C=CCc1ccc(OC)cc1 M20326 [1,0,1,0,0,0|0,0,1]=3 21 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 M10221 [1,0,1,0,0,0|0,0,1]=3 22 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 M14428 [1,0,1,0,0,0|0,0,1]=3 23 B11R1.279 COC1=CC(O)=C(C=O)C=C1 M18979 [1,0,1,0,0,0|2,0,0]=4 24 B11R1.40 C=CC(=O)Nc1ccccc1 M23998 [1,0,1,0,0,0|1,0,1]=4 25 B11R2.20 c1ccc2ncccc2c1 M19758 [2,0,0,0,0,0|1,0,0]=3 26 B13R1.14 COC(=O)\C=C\c1ccc(O)cc1 M18184 [0,1,1,0,0,0|1,0,0]=3 27 B13R1.14 COC(=O)\C=C\c1ccc(O)cc1 M18519 [0,1,1,0,0,0|1,0,0]=3 28 B13R1.42 CCOC(=O)\C=C\c1ccccc1 M29141 [0,1,1,0,0,0|1,0,0]=3 29 B13R1.3 COc1ccc(\C=C\C(=O)O)cc1 M20610 [0,1,1,0,0,0|1,0,0]=3 30 B13R1.5 C=CC(=O)Nc1ccc(OC)cc1 M28407 [0,1,1,0,0,0|1,0,0]=3 31 B13R1.81 C=CC(=O)Nc1cccc(OC)c1 M28406 [0,1,1,0,0,0|1,0,0]=3 32 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 M18564 [0,1,1,0,0,0|1,0,0]=3 33 B13R1.575 COc1cc(\C=C\C=O)ccc1O M29292 [0,1,1,0,0,0|1,0,0]=3 34 B13R1.575 COc1cc(\C=C\CO)ccc1O M18563 [0,1,1,0,0,0|1,0,1]=4 35 B13R2.155 Cc1ccc2ccc(=O)oc2c1 M21242 [1,1,0,0,0,0|1,0,0]=3 36 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 M16673 [1,1,0,0,0,0|1,0,0]=3 37 B13R2.155 Oc1ccc2ccc(O)nc2c1 M27524 [1,1,0,0,0,0|1,0,0]=3 38 B13R2.162 O=C1C=CC2=C(N1)C(O)=CC=C2 M18076 [1,1,0,0,0,0|1,0,1]=4 39 B13R2.328 O=c1cc(O)c2ccccc2o1 M22660 [1,1,0,0,0,0|1,0,1]=4 40 B13R2.328 Oc1cc(O)c2ccccc2c1 M23480 [1,1,0,0,0,0|0,0,0]=2 41 B13R2.369 Nc1cc2ccccc2cc1N M24775 [1,1,0,0,0,0|1,0,0]=3 42 B13R2.369 O=C1Oc2ccccc2C=C1O M21324 [1,1,0,0,0,0|1,0,0]=3 43 B13R2.3683 Cc1ccc2nc(C)ccc2c1 M28145 [1,1,0,0,0,0|1,0,0]=3 44 B13R2.3683 Cc1ccc2oc(=O)ccc2c1 M20367 [1,1,0,0,0,0|1,0,0]=3 45 B13R2.3683 O=C1C=CC2=C(C=CC(O)=C2)O1 M18887 [1,1,0,0,0,0|1,0,0]=3 46 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 M28682 [1,1,0,0,0,0|0,0,0]=2 47 B13R2.5179 O=c1ccoc2cc(O)ccc12 M20749 [1,1,0,0,0,0|1,0,0]=3 48 B13R2.5179 Oc1cnc2c(O)cccc2c1 M27991 [1,1,0,0,0,0|1,0,0]=3 49 B13R2.1 NCCC1=CNC2=CC=CC=C12 M15323 [0,1,0,0,1,0|2,0,0]=4 50 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)O2 M18751 [0,1,0,0,1,0|2,0,0]=4 51 B15R2.627 O=C(O)c1ccc2ccccc2c1O M19667 [0,2,0,0,0,0|2,0,0]=4 52 B15R2.19973 COC1=CC(=O)c2ccccc2C1=O M18276 [0,2,0,0,0,0|0,0,0]=2 53 B15R2.352 OCCOc1ccc2ccccc2c1 M27187 [0,2,0,0,0,0|0,0,0]=2 54 B15R2.1282 CCOc1ccc2c(c1)OC(=O)C=C2 M21250 [0,2,0,0,0,0|1,0,0]=3 55 B15R2.1824 COc1cc2oc(=O)ccc2cc1O M19100 [0,2,0,0,0,0|1,0,0]=3 56 B15R2.89396 COc1ccc2c(C)cc(=O)oc2c1 M18317 [0,2,0,0,0,0|1,0,0]=3 57 B15R2.21329 COc1ccc2c(c1)C(C)=CC(=O)O2 M21303 [0,2,0,0,0,0|1,0,0]=3 58 B15R2.984 CC(=O)c1cc2ccccc2oc1=O M22649 [0,2,0,0,0,0|2,0,0]=4 59 B15R2.1754 COC1=C(O)C=C2OC(=O)C=CC2=C1 M16636 [0,2,0,0,0,0|1,0,0]=3 60 B13R2.342 C[n+]1cccc2c(N)cccc21 M22751 [0,0,1,1,0,0|2,0,0]=4 61 B11R1.222 COC(=O)C1=CC=CC=C1N M23499 [0,0,1,0,1,0|2,0,0]=4 62 B11R1.222 COC(=O)C1=CC=CC=C1O M10675 [0,0,1,0,1,0|2,0,0]=4 63 B11R2.1 ClC1=CNC2=C1C=CC=C2 M29561 [1,0,0,0,1,0|2,0,0]=4