0 B13R2.328 CC1=CC(=O)C2=C(C=CC=C2)O1 BBS-00032491 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 BBS-00028232 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.328 CC1=NC2=CC=CC=C2C(=O)N1 BBS-00020049 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.328 CC1=NC2=NC=CC=C2C(=O)O1 BBS-00031743 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 BBS-00000696 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 BBS-00015771 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 BBS-00022231 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.328 O=C1NC(=S)SC2=CC=CC=C12 BBS-00015534 [0,0,0,0,0,0|2,2,0]=4 8 B13R2.328 O=C1NC(S)=NC2=CC=CC=C12 BBS-00027992 [0,0,0,0,0,0|3,1,0]=4 9 B13R2.328 OC1=NC2=C(C=CC=C2)C(S)=N1 BBS-00023736 [0,0,0,0,0,0|3,1,0]=4 10 B13R2.328 OC1=NC2=CC=CC=C2C(O)=N1 BBS-00039181 [0,0,0,0,0,0|3,0,1]=4 11 B12R2.24 OC1=NC2=CC=CC=C2C=N1 BBS-00010740 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.1081 O=C1CCCC2=CC=CC=C12 BBS-00028238 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.1081 O=C1CCSC2=CC=CC=C12 BBS-00029006 [1,0,0,0,0,0|2,1,0]=4 14 B12R2.1081 O=C1NC=NC2=CC=CC=C12 BBS-00002691 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.1081 O=C1NCCC2=CC=CC=C12 BBS-00022019 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.1081 O=C1NN=CC2=C1C=CC=C2 BBS-00030873 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.7724 CN1C(=O)OC(=O)C2=CC=CC=C21 BBS-00033757 [0,1,0,0,0,0|2,0,1]=4 18 B14R2.8045 O=C1NC2=C(Cl)C=CC=C2C(=O)O1 BBS-00011930 [0,1,0,0,0,0|2,0,1]=4 19 B14R2.8235 CC1=CC=C2NC(=O)OC(=O)C2=C1 BBS-00002891 [0,1,0,0,0,0|2,0,1]=4 20 B14R2.8235 CC1=CC=C2OC(C)CC(=O)C2=C1 BBS-00029880 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.8235 CC1=NC2=CC=C(Br)C=C2C(=O)O1 BBS-00034399 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.8235 O=C1NC2=CC=C(Br)C=C2C(=O)O1 BBS-00002893 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.8235 O=C1NC2=CC=C(Cl)C=C2C(=O)O1 BBS-00002892 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.75 CC(C)OC1=CC=CC=C1C=O BBS-00015689 [0,0,1,0,0,0|3,0,0]=4 25 B12R1.283 CCOC1=CC=CC=C1C(C)=O BBS-00006696 [0,0,1,0,0,0|3,0,0]=4 26 B12R1.283 O=C(O)C1=CC=CC=C1\C=N/O BBS-00015907 [0,0,1,0,0,0|2,0,0]=3 27 B12R1.283 [N-]=[N+]=NC1=CC=CC=C1C(=O)O BBS-00028865 [0,0,1,0,0,0|3,0,0]=4 28 B12R2.18 CN1CC2=CC=CC=C2C1=O BBS-00036100 [0,0,0,0,1,0|3,0,0]=4 29 B12R2.18 O=C1NC2=CC=CC=C2C1=O BBS-00003223 [0,0,0,0,1,0|2,0,1]=4 30 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 BBS-00029893 [0,0,0,0,1,0|3,0,0]=4 31 B12R2.2028 N=C1NC(=O)C2=CC=CC=C12 BBS-00015905 [0,0,0,0,1,0|3,0,0]=4 32 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 BBS-00027507 [0,0,0,0,1,0|2,0,1]=4 33 B14R2.52 O=C1COC2=CC=CC=C2C(=O)N1 BBS-00021771 [0,0,0,0,0,1|2,0,1]=4 34 B11R1.16 CCOC(=O)C1=CC=CC=C1 BBS-00032604 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.16 O=C(NCO)C1=CC=CC=C1 BBS-00027494 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.53 CNC1=CC=CC=C1C(=O)O BBS-00006460 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.53 COC1=CC=CC=C1C(=O)O BBS-00003735 [1,0,1,0,0,0|1,0,0]=3 38 B11R1.53 N#CC1=CC=CC=C1C(=O)O BBS-00010739 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 BBS-00039153 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.222 COC(=O)C1=C(N)C=CC=C1 BBS-00020905 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.222 COC(=O)C1=C(O)C=CN=C1 BBS-00021137 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.222 COC(=O)C1=CC=CN=C1O BBS-00020126 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.222 NNC(=O)C1=CC=CC=C1O BBS-00008439 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.222 O=C(NO)C1=CC=CC=C1O BBS-00008472 [1,0,1,0,0,0|1,0,0]=3 45 B11R1.222 O\N=C(/O)C1=CC=CC=C1O BBS-00017867 [1,0,1,0,0,0|1,0,1]=4 46 B13R1.572 N#CCOC1=CC=CC=C1C(=O)O BBS-00025368 [0,1,1,0,0,0|2,0,0]=4 47 B13R1.572 O=C(O)C1=C(NCCO)C=CC=C1 BBS-00007307 [0,1,1,0,0,0|2,0,0]=4 48 B13R1.674 O=C(NCCO)C1=CC=CC=C1O BBS-00032951 [0,1,1,0,0,0|2,0,0]=4 49 B13R2.342 CC1=C2OCCC(=O)C2=CC=C1 BBS-00021931 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.342 O=C1CCOC2=C1C=CC=C2Br BBS-00022147 [1,1,0,0,0,0|2,0,0]=4 51 B13R2.342 O=C1CCOC2=C1C=CC=C2Cl BBS-00022135 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.342 O=C1CCOC2=C1C=CC=C2F BBS-00022122 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.3028 CN1OC2=CC=C(Br)C=C2C1=O BBS-00036663 [0,1,0,0,1,0|2,0,0]=4 54 B13R2.2931 O=C1N\C(=N\O)C2=CC=CC=C12 BBS-00015906 [0,1,0,0,1,0|2,0,0]=4 55 B13R2.5187 NC1=CC=C2C(=C1)C(=O)OC2Br BBS-00025684 [0,1,0,0,1,0|2,0,0]=4 56 B13R2.5187 O=C1OC(Br)C2=CC=C(Br)C=C12 BBS-00025683 [0,1,0,0,1,0|2,0,0]=4 57 B13R2.12159 CC1(C)OC(=O)C2=CC=CC=C21 BBS-00024949 [0,1,0,0,1,0|2,0,0]=4 58 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 BBS-00001748 [0,2,0,0,0,0|2,0,0]=4 59 B15R2.14951 O=C1CC(C(=O)O)OC2=CC=CC=C12 BBS-00032406 [0,2,0,0,0,0|2,0,0]=4 60 B15R2.14951 O=C1OC(C(=O)O)CC2=C1C=CC=C2 BBS-00016598 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.36 CC(O)C(=O)C1=CC=CC=C1 BBS-00026140 [0,0,1,0,1,0|2,0,0]=4 62 B13R1.90 C(=O)C1=C(OCC(=O)O)C=CC=C1 BBS-00000749 [0,0,1,0,0,1|1,0,1]=4