0 B12R1.118 CCN(CC)Cc1ccccc1 CSC000184721 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.118 CCN(CC)Cc1ccccn1 CSC011821371 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.118 CCN(CC)Cc1cccnc1 CSC011211242 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.40 COC(=O)Oc1ccccc1 CSC000020726 [1,0,0,0,0,0|1,0,2]=4 6 B13R1.79 CCN(CCN)Cc1ccccc1 CSC011249955 [0,1,0,0,0,0|3,0,0]=4 7 B13R1.145 CCN(CC)Cc1ccc(cc1)Br CSC000209268 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.145 CCN(CC)Cc1ccc(cc1)C CSC000209283 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.145 CCN(CC)Cc1ccc(cc1)Cl CSC000209265 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.145 CCN(CC)Cc1ccc(cc1)F CSC000209272 [0,1,0,0,0,0|3,0,0]=4 11 B13R1.418 CCN(Cc1ccccc1)C(=O)C CSC000155847 [0,1,0,0,0,0|3,0,0]=4 12 B13R2.57 CCN1CCc2ccccc2C1 CSC046083894 [0,0,0,1,0,0|3,0,0]=4 13 B13R2.64 C(N1CCCC1)c2ccccc2 CSC000174533 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.64 C1CCC(C1)Oc2ccccc2 CSC000702741 [0,0,0,1,0,0|3,0,0]=4 15 B11R1.12 CCC(NC)c1ccccc1 CSC000737544 [0,0,0,0,1,0|2,0,0]=3 16 B13R1.417 CCC(CC)NCc1ccccc1 CSC000196522 [0,0,0,0,0,1|2,0,0]=3 17 B13R1.417 CCC(CO)NCc1ccccc1 CSC000180821 [0,0,0,0,0,1|3,0,0]=4 18 B13R1.417 CC[C@@H](CO)NCc1ccccc1 CSC000700121 [0,0,0,0,0,1|3,0,0]=4 19 B10R1.17 CCCSc1ccccc1 CSC000005822 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.17 CCSCc1ccccc1 CSC000006444 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.17 COCSc1ccccc1 CSC000000817 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.17 CSCCc1ccncc1 CSC015420737 [2,0,0,0,0,0|1,1,0]=4 23 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.34 COC(=O)C(O)c1ccccc1 CSC000150732 [1,1,0,0,0,0|0,0,2]=4 25 B12R1.34 COC(=O)[C@@H](O)c1ccccc1 CSC009815906 [1,1,0,0,0,0|0,0,2]=4 26 B12R1.34 COC(=O)[C@H](O)c1ccccc1 CSC009815907 [1,1,0,0,0,0|0,0,2]=4 27 B12R1.43 CN(Cc1ccccc1)C(=O)C CSC000152884 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.49 COC(=O)Cc1ccc(cc1)Br CSC000149743 [1,1,0,0,0,0|0,0,2]=4 29 B12R1.49 COC(=O)Cc1ccc(cc1)C CSC000204387 [1,1,0,0,0,0|0,0,2]=4 30 B12R1.49 COC(=O)Cc1ccc(cc1)F CSC000148989 [1,1,0,0,0,0|0,0,2]=4 31 B12R1.49 COC(=O)Cc1ccc(cc1)I CSC012356276 [1,1,0,0,0,0|0,0,2]=4 32 B12R1.49 COC(=O)Cc1ccc(cc1)O CSC000211648 [1,1,0,0,0,0|0,0,2]=4 33 B12R1.50 COC(=O)Cc1cccc(c1)Br CSC000699549 [1,1,0,0,0,0|0,0,2]=4 34 B12R1.50 COC(=O)Cc1cccc(c1)C CSC011661688 [1,1,0,0,0,0|0,0,2]=4 35 B12R1.50 COC(=O)Cc1cccc(c1)Cl CSC011690634 [1,1,0,0,0,0|0,0,2]=4 36 B12R1.50 COC(=O)Cc1cccc(c1)F CSC000151121 [1,1,0,0,0,0|0,0,2]=4 37 B12R1.371 COC(=O)Cc1ccccc1Br CSC000699816 [1,1,0,0,0,0|0,0,2]=4 38 B12R1.371 COC(=O)Cc1ccccc1C CSC000175439 [1,1,0,0,0,0|0,0,2]=4 39 B12R1.371 COC(=O)Cc1ccccc1F CSC000149365 [1,1,0,0,0,0|0,0,2]=4 40 B12R1.371 COC(=O)Cc1ccccc1O CSC000758901 [1,1,0,0,0,0|0,0,2]=4 41 B12R1.12 CCC(NC)c1ccc(cc1)Br CSC000231127 [0,1,0,0,1,0|2,0,0]=4 42 B12R1.12 CCC(NC)c1ccc(cc1)F CSC000737546 [0,1,0,0,1,0|2,0,0]=4 43 B12R1.478 COC(C(=O)N)c1ccccc1 CSC011347434 [0,1,0,0,1,0|2,0,0]=4 44 B14R1.549 CCC(Cc1ccccc1)NC(=O)C CSC000011921 [0,2,0,0,0,0|2,0,0]=4 45 B12R2.32 CCN1Cc2ccccc2C1 CSC016200629 [1,0,0,1,0,0|2,0,0]=4 46 B12R2.2058 C1CC(C1)Sc2ccccc2 CSC000092208 [1,0,0,1,0,0|2,0,0]=4 47 B14R2.101 C(Oc1ccccc1)C2OCCO2 CSC000084056 [0,0,0,1,0,1|0,0,0]=2 48 B12R1.27 CC(CO)NCc1ccccc1 CSC000713660 [1,0,0,0,0,1|2,0,0]=4 49 B12R1.27 CCC(C)NCc1ccccn1 CSC000199859 [1,0,0,0,0,1|2,0,0]=4 50 B12R1.27 CCC(C)NCc1cccnc1 CSC000187012 [1,0,0,0,0,1|2,0,0]=4 51 B12R1.27 CCC(C)NCc1ccncc1 CSC000180841 [1,0,0,0,0,1|2,0,0]=4 52 B12R1.27 CCC(C)SCc1ccccc1 CSC000000404 [1,0,0,0,0,1|1,0,0]=3 53 B12R1.27 COC(=O)COc1ccccc1 CSC000148705 [1,0,0,0,0,1|0,0,2]=4 54 B12R1.27 COC(=O)CSc1ccccc1 CSC000151200 [1,0,0,0,0,1|0,0,2]=4 55 B12R1.27 COC(=O)NCc1ccccc1 CSC000235978 [1,0,0,0,0,1|0,0,2]=4 56 B12R1.27 OCC(O)CSc1ccccc1 CSC000208506 [1,0,0,0,0,1|2,0,0]=4 57 B14R1.546 CCC(CC)NCCc1ccccc1 CSC000201710 [0,0,0,0,0,2|2,0,0]=4