0 B12R1.8 C=CCCNCc1ccccc1 WXC04551 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.8 c1cc(cnc1)CNCCC#N WX600048 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.8 c1ccc(cc1)CNCCCO WXC02407 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.28 c1ccc(cc1)CNCC#N WXC04002 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.28 c1ccc(cc1)COCCN WXC01524 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.42 CCCC(=O)CCc1ccccc1 WX625004 [0,1,0,0,0,0|1,0,1]=3 6 B13R1.718 CC(CO)COCc1ccccc1 WXC01445 [0,1,0,0,0,0|1,0,0]=2 7 B13R2.3 c1ccc(cc1)C2CCCCN2 WX604287 [0,0,0,1,0,0|1,0,0]=2 8 B13R2.3 c1ccc(cc1)[C@H]2COCCN2 WX604427 [0,0,0,1,0,0|2,0,0]=3 9 B13R2.3 c1ccnc(c1)C2CCCCN2 WX604224 [0,0,0,1,0,0|2,0,0]=3 10 B13R2.15 c1ccnc(c1)C2CCCC2O WX642084 [0,0,0,1,0,0|1,0,0]=2 11 B13R2.64 c1ccc(cc1)NC2CCCC2 WXC04196 [0,0,0,1,0,0|2,0,0]=3 12 B13R2.1613 c1ccc2c(c1)\C(=N\O)\CCO2 WXC02425 [0,0,0,1,0,0|2,0,1]=4 13 B10R1.17 C1C=CCC(=C1)CCCO WX640164 [2,0,0,0,0,0|0,0,2]=4 14 B12R1.1 COCCOc1ccc(cc1)N WX602123 [1,1,0,0,0,0|2,0,0]=4 15 B12R1.1 c1cc(ccc1SCCCCl)Br WX630038 [1,1,0,0,0,0|2,0,0]=4 16 B12R1.30 c1cc(cnc1)C(=O)CCCO WXC01993 [1,1,0,0,0,0|1,0,1]=4 17 B12R1.252 CC(C)CNCc1ccccc1 WX600341 [1,1,0,0,0,0|1,0,0]=3 18 B12R1.252 c1ccc(cc1)CNCC(=O)O WX610175 [1,1,0,0,0,0|1,0,1]=4 19 B12R1.252 c1ccc(cc1)NCCC(=O)O WX665022 [1,1,0,0,0,0|1,0,1]=4 20 B14R1.677 c1cc(ccc1CCCCC(=O)O)F WX610050 [0,2,0,0,0,0|0,0,1]=3 21 B14R1.677 c1cc(ccc1N)OCCCC(=O)O WXC03654 [0,2,0,0,0,0|1,0,1]=4 22 B14R1.546 c1ccc(cc1)COCC(CO)CO WXC00983 [0,2,0,0,0,0|1,0,0]=3 23 B12R2.1 c1ccc/2c(c1)CC\C2=N/O WX690241 [1,0,0,1,0,0|1,0,1]=4 24 B12R2.2 c1ccc(cc1)C2CCNC2 WX604689 [1,0,0,1,0,0|1,0,0]=3 25 B12R2.1081 CC1CNCc2c1cccc2 WX604177 [1,0,0,1,0,0|1,0,0]=3 26 B12R2.1081 CC1CNCc2c1cccc2 WX604759 [1,0,0,1,0,0|1,0,0]=3 27 B12R2.1081 CC1c2ccccc2CCN1 WX604078 [1,0,0,1,0,0|1,0,0]=3 28 B12R2.1081 CC1c2ccccc2CCN1 WX604757 [1,0,0,1,0,0|1,0,0]=3 29 B12R2.1081 C[C@@H]1CNCc2c1cccc2 WX604648 [1,0,0,1,0,0|1,0,0]=3 30 B12R2.1081 C[C@H]1CNCc2c1cccc2 WX604647 [1,0,0,1,0,0|1,0,0]=3 31 B12R2.1081 c1cc2c(nc1)C(CCC2)O WX642062 [1,0,0,1,0,0|1,0,0]=3 32 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N WX604247 [1,0,0,1,0,0|2,0,0]=4 33 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N WX604750 [1,0,0,1,0,0|2,0,0]=4 34 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N WXC00813 [1,0,0,1,0,0|2,0,0]=4 35 B12R2.2058 c1ccc(cc1)NC2CCC2 WXC03097 [1,0,0,1,0,0|1,0,0]=3 36 B14R2.21 c1cc(cc(c1)Cl)C2CCNCC2 WX604461 [0,1,0,1,0,0|2,0,0]=4 37 B14R2.68 c1cc(ccc1C2CCNCC2)Cl WX604106 [0,1,0,1,0,0|2,0,0]=4 38 B14R2.6 c1ccc(cc1)CN2CCNCC2 WXC03938 [0,1,0,1,0,0|2,0,0]=4 39 B14R2.6 c1ccc(cc1)OC2CCNCC2 WX604302 [0,1,0,1,0,0|2,0,0]=4 40 B14R2.24 c1ccc(c(c1)C2CCCCN2)F WXC04460 [0,1,0,1,0,0|1,0,0]=3 41 B14R2.24 c1ccc(c(c1)C2COCCN2)Cl WXC03055 [0,1,0,1,0,0|2,0,0]=4 42 B14R2.19 c1ccc(cc1)CN2CC[C@@H](C2)N WX604196 [0,1,0,1,0,0|2,0,0]=4 43 B14R2.19 c1ccc(cc1)CN2CC[C@@H](C2)O WXC04550 [0,1,0,1,0,0|1,0,0]=3 44 B14R2.19 c1ccc(cc1)CN2CC[C@H](C2)O WXC03275 [0,1,0,1,0,0|1,0,0]=3 45 B14R2.2 c1ccc2c(c1)CCN2CC(=O)O WX610271 [0,1,0,1,0,0|1,0,1]=4 46 B14R2.50 c1ccc(c(c1)N)NC2CCCC2 WXC02984 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.21 c1cc(sc1)CNCCO WXC04465 [1,0,0,0,1,0|2,0,0]=4