0 B12R1.34 COC(=O)[C@@H](c1ccccc1)Br AB70356 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [1,0,0,0,0,0|0,0,2]=3 2 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.36 c1ccc(cc1)C(C(F)F)N AB28541 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.40 CC(CN)Oc1ccccc1 AB03575 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.40 CC(Cc1ccccc1)CN CB11363 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.32 c1ccc2c(c1)CCC(C2O)Br MB00774 [0,0,0,1,0,0|2,0,0]=3 13 B13R2.45 c1ccc2c(c1)C[C@H]([C@H]2N)CO AB42784 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.15 CC(c1cccnc1)NC CB11165 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [2,0,0,0,0,0|1,0,0]=3 16 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [2,0,0,0,0,0|1,0,0]=3 17 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [2,0,0,0,0,0|1,0,0]=3 19 B10R1.17 CNCCc1cccnc1 AB10676 [2,0,0,0,0,0|1,0,0]=3 20 B10R1.17 CNCCc1ccncc1 AB02055 [2,0,0,0,0,0|1,0,0]=3 21 B10R1.17 c1ccc(cc1)CCC=O AB00823 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.17 c1ccc(cc1)CCCN AB00940 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.18 CC(C)Oc1ccccn1 AB63711 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.18 CC(Cc1ccccn1)N AB12969 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.18 CC(Cc1cccnc1)N AB23775 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.18 CC(Cc1ccncc1)N AB28531 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.18 CC(Cc1cnccn1)N AB28467 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [2,0,0,0,0,0|0,0,0]=2 29 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [2,0,0,0,0,0|0,0,0]=2 30 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.30 CNCCC(c1ccccc1)O AB06932 [1,1,0,0,0,0|0,0,0]=2 32 B12R1.20 C[C@H]([C@H](c1ccc(cc1)O)O)N MB00597 [1,1,0,0,0,0|0,0,0]=2 33 B12R1.225 C[C@@H](c1cccc(c1)O)N(C)C MB03878 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.478 CN(C)C(C#N)c1ccccc1 MB00227 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.32 CN(CCN)Cc1ccccc1 MB02567 [1,1,0,0,0,0|2,0,0]=4 36 B12R2.2 c1ccc(cc1)C2CCCN2 AB09387 [1,0,0,1,0,0|2,0,0]=4 37 B12R2.2 c1ccc(cc1)C2CCCO2 PB14199 [1,0,0,1,0,0|1,0,0]=3 38 B12R2.2 c1ccc(cc1)C2CCNC2 AB09982 [1,0,0,1,0,0|1,0,0]=3 39 B12R2.2 c1ccc(cc1)[C@@H]2CCNC2 AB29529 [1,0,0,1,0,0|1,0,0]=3 40 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 AB29151 [1,0,0,1,0,0|2,0,0]=4 41 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 AB29532 [1,0,0,1,0,0|1,0,0]=3 42 B12R2.2 c1ccnc(c1)C2CCNC2 AB10236 [1,0,0,1,0,0|2,0,0]=4 43 B12R2.2 c1cnccc1C2CCNC2 AB10240 [1,0,0,1,0,0|2,0,0]=4 44 B12R2.116 c1ccc(cc1)C2(CCC2)N AB45250 [1,0,0,1,0,0|2,0,0]=4 45 B12R2.116 c1ccc(cc1)C2(CNC2)O PB24509 [1,0,0,1,0,0|0,0,0]=2 46 B12R2.116 c1ccc(cc1)C2(COC2)N PB24350 [1,0,0,1,0,0|2,0,0]=4 47 B12R2.116 c1ccc(cc1)C2(COC2)O PB13884 [1,0,0,1,0,0|1,0,0]=3 48 B12R2.1081 c1ccc2c(c1)CCCC2N AB00150 [1,0,0,1,0,0|2,0,0]=4 49 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N AB06758 [1,0,0,1,0,0|2,0,0]=4 50 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [1,0,0,1,0,0|0,0,2]=4 51 B12R2.1081 c1ccc2c(c1)COCC2N PB29671 [1,0,0,1,0,0|2,0,0]=4 52 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [1,0,0,1,0,0|1,0,0]=3 53 B12R2.2075 c1ccc(cc1)C(C2CC2)N CB10839 [1,0,0,1,0,0|2,0,0]=4 54 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O PB33868 [1,0,0,1,0,0|2,0,0]=4 55 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [1,0,0,1,0,0|0,0,0]=2 56 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [1,0,0,1,0,0|0,0,0]=2 57 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [1,0,0,1,0,0|1,0,1]=4 58 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [1,0,0,1,0,0|2,0,0]=4 59 B12R2.32 c1ccc2c(c1)CC(C2)CN AB18567 [1,0,0,1,0,0|2,0,0]=4 60 B12R2.32 c1ccc2c(c1)CC(C2)CO MB05939 [1,0,0,1,0,0|2,0,0]=4 61 B14R2.24 CC1C(OCCN1)c2ccccc2 AB07481 [0,1,0,1,0,0|0,0,0]=2 62 B14R2.24 c1ccc(cc1)C2C(=O)NCCO2 AB72690 [0,1,0,1,0,0|1,0,1]=4 63 B12R1.27 C[C@H](CN)NCc1ccccc1 AB72049 [1,0,0,0,0,1|2,0,0]=4