0 B16R2.477 NC(=O)COc1ccc2ccccc2c1 CSC000150859 [0,0,0,0,0,0|2,0,1]=3 1 B16R2.477 NC(=O)CSc1ccc2ccccc2c1 CSC000148426 [0,0,0,0,0,0|2,1,1]=4 2 B15R2.352 CCCOc1ccc2ccccc2c1 CSC000005839 [1,0,0,0,0,0|0,0,0]=1 3 B15R2.352 CCCSc1ccc2ccccc2c1 CSC048195454 [1,0,0,0,0,0|0,1,0]=2 4 B15R2.352 N#CCSc1ccc2ccccc2c1 CSC000148427 [1,0,0,0,0,0|1,1,1]=4 5 B15R2.352 OCCOc1ccc2ccccc2c1 CSC011219602 [1,0,0,0,0,0|1,0,0]=2 6 B15R2.352 OCCSc1ccc2ccccc2c1 CSC000193269 [1,0,0,0,0,0|1,1,0]=3 7 B17R2.556 CC(CO)NCc1ccc2ccccc2c1 CSC000344217 [0,1,0,0,0,0|2,0,0]=3 8 B17R2.556 CNC(C)CNc1cnc2ccccc2n1 CSC007450201 [0,1,0,0,0,0|3,0,0]=4 9 B17R2.556 COC(=O)COc1ccc2ccccc2c1 CSC000149869 [0,1,0,0,0,0|1,0,1]=3 10 B17R2.556 C[C@H](CN)NCc1ccc2ccccc2c1 CSC006718783 [0,1,0,0,0,0|2,0,0]=3 11 B17R2.556 C[C@H](CN)NCc1ccc2ncccc2c1 CSC006718766 [0,1,0,0,0,0|3,0,0]=4 12 B17R2.5006 CC(C)NCc1cc2ccccc2nc1O CSC000305310 [0,1,0,0,0,0|3,0,0]=4 13 B17R2.9167 CC(C)C(=O)Nc1cnc2ccccc2c1 CSC000288708 [0,1,0,0,0,0|2,0,1]=4 14 B17R2.9167 CC(C)C(=O)Oc1ccc2ccccc2c1 CSC000002292 [0,1,0,0,0,0|0,0,1]=2 15 B17R2.9167 CC(N)C(=O)Nc1ccc2ccccc2c1 CSC000253805 [0,1,0,0,0,0|2,0,1]=4 16 B17R2.10056 CC(C)(N)CNc1cnc2ccccc2n1 CSC005803527 [0,1,0,0,0,0|3,0,0]=4 17 B17R2.10056 CC(C)(O)CNc1cnc2ccccc2n1 CSC005722790 [0,1,0,0,0,0|3,0,0]=4 18 B17R2.18967 CC(C)NC(=O)c1ccc2ccccc2c1 CSC000251761 [0,1,0,0,0,0|2,0,0]=3 19 B17R2.19729 CC(=C)COc1ccc2ccc(=O)oc2c1 CSC000006278 [0,1,0,0,0,0|1,0,2]=4 20 B17R2.19729 CC(=O)COc1ccc2ccc(=O)oc2c1 CSC000000116 [0,1,0,0,0,0|2,0,1]=4 21 B15R1.5919 CC(C)COC(=O)COc1ccccc1 CSC000005853 [0,0,1,0,0,0|2,0,1]=4 22 B15R2.1660 CC(C)NCc1cc2ccccc2s1 CSC011405632 [0,0,0,0,1,0|3,0,0]=4 23 B15R2.1660 CC(C)NCc1cc2ccccc2s1 CSC011405632 [0,0,0,0,1,0|3,0,0]=4 24 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 CSC000154015 [0,0,0,0,1,0|2,0,1]=4 25 B15R2.1668 CC(=O)Oc1ccc2ccccc2c1 CSC000002291 [0,0,0,0,1,0|1,0,1]=3 26 B15R2.1668 CC(C)Sc1ccc2ccccc2c1 CSC048362076 [0,0,0,0,1,0|0,1,0]=2 27 B15R2.1668 NC(=O)Cc1ccc2ccccc2c1 CSC000162105 [0,0,0,0,1,0|2,0,1]=4 28 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 CSC000046335 [0,0,0,0,0,1|2,0,1]=4 29 B17R2.5669 CC(C)NCCc1ccc2ccccc2c1 CSC000324771 [0,0,0,0,0,1|1,0,0]=2 30 B17R2.5669 CC(O)CNCc1ccc2ccccc2c1 CSC000266453 [0,0,0,0,0,1|2,0,0]=3 31 B14R2.112 CCOc1ccc2ncccc2c1 CSC000055991 [2,0,0,0,0,0|1,0,0]=3 32 B14R2.112 CCSc1ccc2ccccc2c1 CSC000000182 [2,0,0,0,0,0|0,1,0]=3 33 B14R2.112 CSCc1ccc2ccccc2c1 CSC000053063 [2,0,0,0,0,0|1,0,0]=3 34 B16R2.767 CCOC(=O)c1ccc2ccccc2c1 CSC000171408 [1,1,0,0,0,0|2,0,0]=4 35 B16R2.2441 CCCCOc1ccc2ccccc2c1 CSC000014088 [1,1,0,0,0,0|0,0,0]=2 36 B16R2.2441 OCCCSc1ccc2ccccc2c1 CSC000148425 [1,1,0,0,0,0|0,1,0]=3 37 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 CSC000154016 [1,1,0,0,0,0|1,0,1]=4 38 B16R2.5347 CCC(=O)Oc1ccc2ccccc2c1 CSC000002294 [1,1,0,0,0,0|0,0,1]=3 39 B16R2.11975 CC(C)Oc1ccc2ccc(=O)oc2c1 CSC032829714 [0,1,0,0,1,0|1,0,0]=3 40 B18R2.6153 CC(C)CNCc1cc2ccccc2nc1O CSC000525105 [0,1,0,0,0,1|2,0,0]=4 41 B18R2.12980 CC(C)C(=O)NCc1ccc2ccccc2c1 CSC047817980 [0,1,0,0,0,1|1,0,1]=4 42 B18R2.12980 CN(C)C(=O)COc1ccc2ccccc2c1 CSC047989033 [0,1,0,0,0,1|1,0,0]=3 43 B18R2.14644 CC(C)CNC(=O)c1ccc2ccccc2c1 CSC000385119 [0,1,0,0,0,1|1,0,0]=3 44 B18R2.71948 CC(C)CC(=O)Nc1ccc2ccccc2c1 CSC046255993 [0,1,0,0,0,1|1,0,0]=3 45 B18R2.71948 CC(N)CN(C)Cc1ccc2ccccc2c1 CSC009665072 [0,1,0,0,0,1|2,0,0]=4 46 B18R2.282514 CC(C)SCCn1ccc2ccccc2c1=O CSC047266535 [0,1,0,0,0,1|2,0,0]=4 47 B18R2.8028 CCC(C)NC(=O)c1ccc2ccccc2c1 CSC000384664 [0,2,0,0,0,0|2,0,0]=4 48 B18R2.8085 CCOC(=O)COc1ccc2ccccc2c1 CSC000256844 [0,2,0,0,0,0|1,0,1]=4 49 B18R2.8085 CN(CCN)CCc1ccc2ccccc2c1 CSC004256448 [0,2,0,0,0,0|2,0,0]=4 50 B18R2.8085 COCC(C)NCc1ccc2ccccc2c1 CSC000392466 [0,2,0,0,0,0|2,0,0]=4 51 B18R2.9347 COC(=O)COc1ccc2ccccc2c1Br CSC000246905 [0,2,0,0,0,0|1,0,1]=4 52 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Br CSC000247462 [0,2,0,0,0,0|1,0,1]=4 53 B18R2.72773 CC(C)(C)C(=O)Nc1ccc2ccccc2c1 CSC000383419 [0,2,0,0,0,0|1,0,1]=4 54 B18R2.72713 CC(C)(C)NC(=O)c1ccc2ccccc2c1 CSC000486945 [0,2,0,0,0,0|2,0,0]=4 55 B18R2.10435 CC(C)NC(CN)c1ccc2ccccc2c1 CSC000934359 [0,2,0,0,0,0|2,0,0]=4 56 B18R2.71896 CC(C)NS(=O)(=O)c1ccc2ccccc2c1 CSC032429108 [0,2,0,0,0,0|1,1,0]=4 57 B18R2.528789 CC(C)COc1ccc2c(cc(=O)oc2c1)C CSC047499303 [0,2,0,0,0,0|1,0,0]=3 58 B16R2.179941 CC(C)COc1cccc2c1nccc2 CSC000169814 [0,0,1,1,0,0|1,0,0]=3 59 B16R2.179941 CC(C)NCc1cccc2c1cccc2 CSC000195758 [0,0,1,1,0,0|2,0,0]=4 60 B18R3.6524 CC1CC1NCc2ccc3ccccc3c2 CSC005637001 [0,0,0,1,0,1|1,0,0]=3 61 B18R3.228675 C(NCc1ccc2ccccc2c1)C3CC3 CSC000302834 [0,0,0,1,0,1|1,0,0]=3 62 B18R3.119103 O=C(Nc1ccc2ccccc2c1)C3CC3 CSC000249960 [0,1,0,1,0,0|1,0,1]=4 63 B18R3.119103 O=C(Oc1ccc2ccccc2c1)C3CC3 CSC000002295 [0,1,0,1,0,0|0,0,1]=3 64 B18R3.240205 O=C(NC1CC1)c2ccc3ccccc3c2 CSC000252854 [0,1,0,1,0,0|2,0,0]=4 65 B14R1.160 CC(C)COC(=O)c1ccccc1O CSC000005792 [0,0,1,0,1,0|2,0,0]=4 66 B14R2.781 CS(=O)c1ccc2ccccc2c1 CSC000064364 [0,0,0,0,2,0|2,0,0]=4 67 B18R2.9909 CC(=O)NCCOc1ccc2ccccc2c1 CSC020600836 [0,0,0,0,0,2|1,0,1]=4