0 B12R1.32 CN(CC#C)Cc1ccccc1 T0300 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.32 CN(CC#C)Cc1ccccc1 T1578 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.32 NC(CC=C)Cc1ccccc1 T25044 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.28 OCCCCc1ccccc1 T20370 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.28 S=C=NCCc1ccccc1 T19687 [1,0,0,0,0,0|0,1,2]=4 5 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [1,0,0,0,0,0|0,0,2]=3 6 B11R1.40 CC(Cc1ccccc1)NN T24631 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.44 CC(Cc1ccccc1)NCC#C T25311 [0,1,0,0,0,0|1,0,1]=3 8 B13R2.328 O=c1[nH]c(=O)c2ccccc2o1 T0258 [0,0,0,1,0,0|2,0,1]=4 9 B11R1.16 CC(/C=N/O)c1ccccc1 T29369 [0,0,0,0,1,0|2,0,1]=4 10 B11R1.16 CC(N=C=S)c1ccccc1 T27188 [0,0,0,0,1,0|0,1,2]=4 11 B11R1.16 C[C@@H](C1=CC=CC=C1)N=C=S T27793 [0,0,0,0,1,0|0,1,2]=4 12 B11R1.16 C[C@H](C1=CC=CC=C1)N=C=S T19758 [0,0,0,0,1,0|0,1,2]=4 13 B10R1.17 CNCCc1ccccn1 T0246 [2,0,0,0,0,0|1,0,1]=4 14 B10R1.17 CNCCc1ccccn1 T0246L [2,0,0,0,0,0|1,0,1]=4 15 B10R1.17 CNCCc1ccccn1 T4195 [2,0,0,0,0,0|1,0,1]=4 16 B10R1.17 NNCCc1ccccc1 T12441 [2,0,0,0,0,0|1,0,0]=3 17 B10R1.17 NNCCc1ccccc1 T50010 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [2,0,0,0,0,0|0,0,2]=4 19 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [2,0,0,0,0,0|0,0,2]=4 20 B10R1.17 O=CCCc1ccccc1 T20312 [2,0,0,0,0,0|0,0,0]=2 21 B10R1.17 OCCCc1ccccc1 T3754 [2,0,0,0,0,0|0,0,2]=4 22 B10R1.18 CC(=O)Oc1ccccc1 T0650 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.18 CC(N)Cc1ccccc1 T25082 [2,0,0,0,0,0|0,0,0]=2 24 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [2,0,0,0,0,0|0,0,0]=2 25 B12R1.252 CC(=O)OCCc1ccccc1 TN6877 [1,1,0,0,0,0|1,0,0]=3 26 B12R1.252 OC(=O)CCCc1ccccc1 T5886 [1,1,0,0,0,0|1,0,0]=3 27 B12R1.252 [O-]C(=O)CCCc1ccccc1 T1535 [1,1,0,0,0,0|1,0,0]=3 28 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [1,1,0,0,0,0|1,0,0]=3 29 B12R1.43 CC(Cc1ccccc1)N(C)N T28024 [1,1,0,0,0,0|0,0,1]=3 30 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [1,1,0,0,0,0|1,0,0]=3 31 B12R1.43 OC(=O)C(=O)Cc1ccccc1 T5251 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.43 [O-]C(=O)C(=O)Cc1ccccc1 T4891 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.194 CNC(C)(C)Cc1ccccc1 T33287 [1,1,0,0,0,0|0,0,1]=3 39 B12R1.107 CC(CC(O)=O)c1ccccc1 T19125 [0,1,0,0,1,0|1,0,0]=3 40 B14R1.158 CC(Cc1ccccc1)NCCCCl T33273 [0,2,0,0,0,0|1,0,1]=4 41 B14R1.423 OC(=O)CNC(=O)Cc1ccccc1 T5217 [0,2,0,0,0,0|1,0,1]=4 42 B14R1.85 CCN(C)C(C)C(O)c1ccccc1 T31684 [0,2,0,0,0,0|1,0,1]=4 43 B14R2.598 O=C1NC(C(=O)N1)c2ccccc2 T0596 [0,0,0,1,0,1|1,0,1]=4 44 B14R2.28480 CC1CC(=O)c2c(C)cccc2O1 TN5677 [0,1,0,1,0,0|2,0,0]=4 45 B14R2.28480 C[C@@H]1Cc2cccc(O)c2C(=O)O1 TMA0343 [0,1,0,1,0,0|1,0,0]=3 46 B14R2.28480 C[C@H]1Cc2cccc(O)c2C(=O)O1 TN4516 [0,1,0,1,0,0|1,0,0]=3 47 B14R2.7724 O[C@H]1CC(=O)c2ccccc2[C@@H]1O TN2875 [0,1,0,1,0,0|2,0,0]=4 48 B14R2.738 CC1CC(=O)Nc2ccccc2N1 T27068 [0,1,0,1,0,0|2,0,0]=4 49 B14R2.738 CC1CC(=O)Nc2ccccc2S1 T50014 [0,1,0,1,0,0|2,0,0]=4 50 B14R2.8045 Cc1nc2c(O)cccc2c(=O)[nH]1 T6912 [0,1,0,1,0,0|1,0,1]=4 51 B10R1.15 CC(NN)c1ccccc1 T33268 [1,0,0,0,1,0|1,0,0]=3 52 B10R1.15 O=CC(=O)c1ccccc1 T38465 [1,0,0,0,1,0|1,0,1]=4 53 B10R1.15 OC(C=C)c1ccccc1 T50007 [1,0,0,0,1,0|2,0,0]=4