0 B11R1.29 CNCCC(c1cccs1)O AB24966 [0,0,0,0,0,0|1,1,2]=4 1 B10R1.11 CCOC(=O)c1[nH]ccn1 AB14751 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.11 CCOC(=O)c1ccon1 PB14547 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.11 CCOC(=O)c1cnco1 AB19292 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.11 CCOC(=O)c1cncs1 PB17345 [1,0,0,0,0,0|2,1,0]=4 5 B10R1.11 CCOC(=O)c1cocn1 PB21846 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.11 CCOC(=O)c1cscn1 AB16049 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.11 CCOC(=O)c1ncco1 AB19317 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.11 CCOC(=O)c1nccs1 AB23232 [1,0,0,0,0,0|2,1,0]=4 9 B10R1.11 CCOC(=O)c1nnco1 AB58071 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.11 c1cc(sc1)C(=O)CC#N PB12059 [1,0,0,0,0,0|1,1,1]=4 11 B10R1.11 c1cc(sc1)C(=O)CCCl AB24965 [1,0,0,0,0,0|1,1,0]=3 12 B12R1.54 CN(C)\C=C\C(=O)c1ccco1 AB03498 [0,1,0,0,0,0|1,0,2]=4 13 B12R1.55 CCOC(=O)C(=O)c1cccs1 PB14078 [0,1,0,0,0,0|1,1,1]=4 14 B10R0.19 CCCCC(=O)C(=O)OCC PB13106 [0,0,1,0,0,0|1,0,2]=4 15 B12R2.2 c1cc(oc1)C2CNCCN2 AB26726 [0,0,0,1,0,0|2,0,1]=4 16 B12R2.2 c1cc(oc1)[C@@H]2CNCCN2 AB36524 [0,0,0,1,0,0|2,0,1]=4 17 B12R2.2 c1cc(oc1)[C@H]2CNCCN2 AB36523 [0,0,0,1,0,0|2,0,1]=4 18 B12R2.221 CC1CNC(=O)c2n1ccc2 MB14543 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.11 COC(=O)c1ncco1 AB42108 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.11 c1cc(oc1)C(=O)C=O AB04785 [2,0,0,0,0,0|1,0,1]=4 21 B9R1.11 c1cc(oc1)C(=O)C=O AB49990 [2,0,0,0,0,0|1,0,1]=4 22 B9R1.12 CNCCc1cccs1 AB18501 [2,0,0,0,0,0|1,1,0]=4 23 B11R1.15 CCOC(=O)c1cc(cs1)Br AB23220 [1,1,0,0,0,0|1,1,0]=4 24 B11R1.15 CCOC(=O)c1cc(no1)C CB11550 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.15 CCOC(=O)c1ccc(o1)Br AB03314 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.15 CCOC(=O)c1ccc(s1)Br AB12313 [1,1,0,0,0,0|1,1,0]=4 27 B11R1.15 CCOC(=O)c1cnc(o1)Br AB51143 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.15 CCOC(=O)c1cnc(o1)C MB09197 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.15 CCOC(=O)c1cnc(o1)Cl AB50633 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.15 CCOC(=O)c1cnc(o1)N AB25588 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.15 CCOC(=O)c1ncc(o1)C AB53497 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.31 CN(C(=O)c1ccco1)OC AB30437 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.199 CCOC(=O)c1c(cco1)N AB55412 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.199 CCOC(=O)c1c(ccs1)Br MB03699 [1,1,0,0,0,0|1,1,0]=4 35 B11R1.199 CCOC(=O)c1c(ccs1)N AB55410 [1,1,0,0,0,0|1,1,0]=4 36 B11R1.199 CCOC(=O)c1c(nco1)C AB02449 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.674 Cc1ccccc1C(=O)CCCCl AB16779 [0,1,0,0,0,1|2,0,0]=4 38 B13R1.33 CCOC(=O)CC(=O)c1ccco1 AB03499 [0,2,0,0,0,0|0,0,1]=3 39 B13R1.33 CCOC(=O)CC(=O)c1cccs1 PB17170 [0,2,0,0,0,0|0,1,1]=4 40 B11R2.106 C1CC2C=NC=C2C(=O)C1 AB22251 [1,0,0,1,0,0|2,0,0]=4 41 B11R2.106 c1cc2n(c1)CCNC2=O AB52677 [1,0,0,1,0,0|2,0,0]=4 42 B11R2.106 c1coc2c1C(=O)CCC2 AB04875 [1,0,0,1,0,0|2,0,0]=4 43 B11R2.106 c1csc2c1C(=O)CCC2 PB11579 [1,0,0,1,0,0|2,0,0]=4 44 B11R2.106 c1csc2c1CCNC2=O MB14511 [1,0,0,1,0,0|1,1,0]=4 45 B11R2.106 c1nc2c(s1)C(=O)CCC2 MB14638 [1,0,0,1,0,0|1,1,0]=4 46 B11R2.18 c1coc2c1NCCCC2 AB43876 [1,0,0,1,0,0|1,0,1]=4 47 B13R2.371 CC1CNC(=O)c2c1cccc2 AB19151 [0,0,0,1,0,1|2,0,0]=4 48 B13R2.5252 c1ccc2c(c1)C(=O)CCCN2 AB14874 [0,0,0,1,0,1|2,0,0]=4 49 B13R2.5252 c1ccc2c(c1)CCCNC2=O AB19134 [0,0,0,1,0,1|2,0,0]=4 50 B13R2.5252 c1ccc2c(c1)CCCOC2=O AB65833 [0,0,0,1,0,1|2,0,0]=4 51 B13R2.18 c1cc(oc1)C2C(=O)NCCN2 AB37804 [0,0,0,1,0,1|2,0,0]=4 52 B13R2.18 c1cc(oc1)[C@@H]2C(=O)NCCN2 AB37810 [0,0,0,1,0,1|2,0,0]=4 53 B13R2.18 c1cc(oc1)[C@H]2C(=O)NCCN2 AB37808 [0,0,0,1,0,1|2,0,0]=4