0 B13R1.337 CC(=O)NCCOc1ccccc1 CSC000152567 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.337 CC(=O)OCCCc1ccccc1 CSC000006332 [0,0,0,0,0,0|0,0,2]=2 2 B13R1.337 CC(=O)OCCOc1ccccc1 CSC000000575 [0,0,0,0,0,0|1,0,1]=2 3 B13R1.337 CC(=O)OCCSc1ccccc1 CSC009876666 [0,0,0,0,0,0|1,0,1]=2 4 B13R1.337 NC(=O)NCCOc1ccccc1 CSC000189186 [0,0,0,0,0,0|3,0,1]=4 5 B14R1.148 CC(=O)NCCOc1cccc(c1)Br CSC009814670 [0,1,0,0,0,0|2,0,1]=4 6 B14R1.148 CC(=O)NCCOc1cccc(c1)C CSC000191423 [0,1,0,0,0,0|2,0,1]=4 7 B14R1.148 CC(=O)NCCOc1cccc(c1)Cl CSC000021436 [0,1,0,0,0,0|2,0,1]=4 8 B14R1.148 CC(=O)NCCOc1cccc(c1)F CSC000046337 [0,1,0,0,0,0|2,0,1]=4 9 B14R1.159 CC(=O)NCCOc1ccccc1C CSC049092990 [0,1,0,0,0,0|2,0,1]=4 10 B14R1.159 CC(=O)NCCOc1ccccc1F CSC000002336 [0,1,0,0,0,0|2,0,1]=4 11 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 CSC015363907 [0,1,0,0,0,0|2,0,0]=3 12 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 CSC000158312 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.677 CC(=O)NCCOc1ccc(cc1)Br CSC009814669 [0,1,0,0,0,0|2,0,1]=4 14 B14R1.677 CC(=O)NCCOc1ccc(cc1)C CSC000002334 [0,1,0,0,0,0|2,0,1]=4 15 B14R1.677 CC(=O)NCCOc1ccc(cc1)F CSC000008501 [0,1,0,0,0,0|2,0,1]=4 16 B14R1.677 CC(=O)NCCSc1ccc(cc1)Cl CSC048458814 [0,1,0,0,0,0|2,0,1]=4 17 B14R1.677 CC(=O)OCCOc1ccc(cc1)Br CSC009811543 [0,1,0,0,0,0|1,0,1]=3 18 B14R1.716 CCC(=O)NCCSc1ccccc1 CSC000204066 [0,1,0,0,0,0|2,0,1]=4 19 B14R1.716 CCC(=O)OCCCc1ccccc1 CSC000006338 [0,1,0,0,0,0|0,0,2]=3 20 B14R1.716 CCC(=O)OCCOc1ccccc1 CSC000000837 [0,1,0,0,0,0|1,0,1]=3 21 B14R1.716 CNC(=O)CCSCc1ccccc1 CSC000019825 [0,1,0,0,0,0|2,0,1]=4 22 B14R1.716 COC(=O)CCCOc1ccccc1 CSC000148025 [0,1,0,0,0,0|2,0,1]=4 23 B14R1.716 COC(=O)CCOCc1ccccc1 CSC011246440 [0,1,0,0,0,0|2,0,1]=4 24 B14R1.716 COC(=O)CCSCc1ccccc1 CSC000172166 [0,1,0,0,0,0|2,0,1]=4 25 B14R1.716 COC(=O)NCCOc1ccccc1 CSC000186252 [0,1,0,0,0,0|2,0,1]=4 26 B14R1.716 NCC(=O)NCCSc1ccccc1 CSC000214000 [0,1,0,0,0,0|2,0,1]=4 27 B14R1.818 CC(CCc1ccccc1)NC(=O)C CSC000155384 [0,1,0,0,0,0|1,0,2]=4 28 B14R1.818 CC(CCc1ccccc1)OC(=O)C CSC000033637 [0,1,0,0,0,0|0,0,2]=3 29 B14R1.6449 CN(CCOc1ccccc1)C(=O)C CSC000155252 [0,1,0,0,0,0|2,0,1]=4 30 B14R2.2 CC(=O)OC1CCc2c1nccc2 CSC000717517 [0,0,0,1,0,0|1,0,2]=4 31 B14R2.2 NC(=O)Cn1ccc2c1cccc2 CSC011424896 [0,0,0,1,0,0|3,0,0]=4 32 B14R2.21 Cc1cccc(n1)c2ccccc2 CSC000066379 [0,0,0,1,0,0|2,0,1]=4 33 B14R2.21 Cc1cncc(c1)c2ccccc2 CSC000041237 [0,0,0,1,0,0|3,0,0]=4 34 B14R2.3018 C(NC1CC1)C=Cc2ccccc2 CSC000215890 [0,0,0,1,0,0|2,0,1]=4 35 B14R2.31359 CC(=O)N1CCCc2c1cccc2 CSC000152744 [0,0,0,1,0,0|1,0,2]=4 36 B14R2.31359 CC(=O)N1CCOc2c1cccc2 CSC011242855 [0,0,0,1,0,0|2,0,1]=4 37 B12R1.252 CC(=C)CNCc1ccccc1 CSC000224140 [0,0,0,0,1,0|2,0,1]=4 38 B12R1.252 CC(=CCOc1ccccc1)C CSC000173691 [0,0,0,0,1,0|3,0,0]=4 39 B12R1.252 CC(=O)CCSc1ccccc1 CSC000208507 [0,0,0,0,1,0|1,0,1]=3 40 B12R1.252 CC(=O)CCSc1ccccn1 CSC000208669 [0,0,0,0,1,0|2,0,1]=4 41 B12R1.252 CC(=O)CSCc1ccccc1 CSC000172147 [0,0,0,0,1,0|1,0,1]=3 42 B12R1.252 CC(=O)NCCc1ccccc1 CSC000153396 [0,0,0,0,1,0|1,0,1]=3 43 B12R1.252 CC(=O)NN=Cc1ccccn1 CSC046102450 [0,0,0,0,1,0|3,0,0]=4 44 B12R1.252 CC(=O)OCCc1ccccc1 CSC000024547 [0,0,0,0,1,0|0,0,1]=2 45 B12R1.252 NC(=O)CCCc1ccccc1 CSC011273634 [0,0,0,0,1,0|1,0,2]=4 46 B12R1.252 NC(=O)CSCc1ccccc1 CSC000149389 [0,0,0,0,1,0|2,0,1]=4 47 B12R1.252 NC(=O)NCCc1ccccc1 CSC000238938 [0,0,0,0,1,0|2,0,1]=4 48 B12R1.252 NC(=O)NN=Cc1ccccc1 CSC000163793 [0,0,0,0,1,0|3,0,0]=4 49 B14R1.422 CC(=O)NCCCCc1ccccc1 CSC000022860 [0,0,0,0,0,1|1,0,2]=4 50 B14R1.422 CC(=O)NCCOCc1ccccc1 CSC010272837 [0,0,0,0,0,1|1,0,2]=4 51 B11R1.28 COCCOc1ccccc1 CSC000757042 [2,0,0,0,0,0|1,0,1]=4 52 B11R1.28 COCCSc1ccccc1 CSC025761232 [2,0,0,0,0,0|1,0,1]=4 53 B13R1.44 CCOCC(=O)Nc1ccccc1 CSC000158316 [1,1,0,0,0,0|1,0,1]=4 54 B13R1.45 CC(=O)COC(=O)c1ccccc1 CSC000000904 [0,1,0,0,1,0|1,0,0]=3 55 B13R1.45 CC(=O)NNC(=O)c1ccccc1 CSC000002264 [0,1,0,0,1,0|2,0,0]=4 56 B13R1.45 CC(=O)OCC(=O)c1ccccc1 CSC000000662 [0,1,0,0,1,0|0,0,0]=2 57 B13R1.45 CC(CNC(=O)C)c1ccccc1 CSC000154521 [0,1,0,0,1,0|1,0,1]=4 58 B13R1.45 NC(=O)CNC(=O)c1ccccc1 CSC000162210 [0,1,0,0,1,0|2,0,0]=4 59 B13R1.149 CC(=O)NN=Cc1cccc(c1)O CSC021659857 [0,1,0,0,1,0|2,0,0]=4 60 B13R1.149 CC(=O)OCCc1cccc(c1)C CSC009866697 [0,1,0,0,1,0|0,0,1]=3 61 B13R1.513 CC(=O)CCSc1ccc(cc1)F CSC000208766 [0,1,0,0,1,0|1,0,1]=4 62 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl CSC000151911 [0,1,0,0,1,0|1,0,1]=4 63 B13R1.513 CC(=O)NCCc1ccc(cc1)F CSC000152297 [0,1,0,0,1,0|1,0,1]=4 64 B13R1.513 CC(=O)NCCc1ccc(cc1)O CSC011395907 [0,1,0,0,1,0|1,0,1]=4 65 B13R1.513 CC(=O)OCCc1ccc(cc1)C CSC009829655 [0,1,0,0,1,0|0,0,1]=3 66 B13R1.513 CC(=O)OCCc1ccc(cc1)Cl CSC009851009 [0,1,0,0,1,0|0,0,1]=3 67 B13R1.513 CC(=O)OCCc1ccc(cc1)F CSC000071711 [0,1,0,0,1,0|0,0,1]=3 68 B15R1.497 CC(=O)NCCNC(=O)c1ccccc1 CSC000160413 [0,1,0,0,0,1|1,0,1]=4 69 B15R1.497 CC(=O)OCCNC(=O)c1cccnc1 CSC000029689 [0,1,0,0,0,1|1,0,1]=4 70 B15R1.3664 CC(NCC=Cc1ccccc1)C(=O)O CSC049863783 [0,1,0,0,0,1|2,0,0]=4 71 B15R1.5919 CC(=O)CCC(=O)OCc1ccccc1 CSC000027016 [0,1,0,0,0,1|1,0,1]=4 72 B15R1.5919 CC(=O)NCC(=O)NCc1ccccc1 CSC000158102 [0,1,0,0,0,1|1,0,1]=4 73 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 CSC000155013 [0,2,0,0,0,0|2,0,0]=4 74 B15R1.959 COC(=O)CCNC(=O)c1ccccc1 CSC000151007 [0,2,0,0,0,0|2,0,0]=4 75 B15R1.111 CC(=O)NCC(=O)Nc1ccc(cc1)C CSC046134129 [0,2,0,0,0,0|2,0,0]=4 76 B15R1.496 CC(NC(=O)C)C(=O)Nc1ccccc1 CSC000153463 [0,2,0,0,0,0|2,0,0]=4 77 B15R1.964 COC(=O)CCC(=O)Nc1ccccc1 CSC000012635 [0,2,0,0,0,0|2,0,0]=4 78 B13R1.90 CC(=O)OCc1ccccc1C#N CSC000000590 [0,0,1,1,0,0|1,0,1]=4 79 B13R1.380 CC(=O)Oc1ccccc1CC=C CSC000051687 [0,0,1,1,0,0|0,0,2]=4 80 B13R2.10 Cc1nc(no1)c2ccccc2 CSC000015794 [0,0,0,1,1,0|2,0,0]=4 81 B13R2.10 O=C1CC(=NN1)c2ccccc2 CSC000175146 [0,0,0,1,1,0|2,0,0]=4 82 B13R2.72 CC(=O)N1CCc2c1cccc2 CSC000155365 [0,0,0,1,1,0|1,0,1]=4 83 B15R2.6 NC(=O)CCc1c[nH]c2c1cccc2 CSC000162151 [0,0,0,1,0,1|2,0,0]=4 84 B15R2.6 NC(=O)CCn1ccc2c1cccc2 CSC000186763 [0,0,0,1,0,1|2,0,0]=4 85 B15R2.68122 CC(=O)Oc1cccc2c1cccc2 CSC000002019 [0,0,0,1,0,1|0,0,1]=3 86 B15R2.68122 CC(=O)Oc1cccc2c1nccc2 CSC000001820 [0,0,0,1,0,1|1,0,1]=4 87 B15R2.69183 CC(=O)N1CCC=Cc2c1cccc2 CSC028348303 [0,0,0,1,0,1|1,0,0]=3 88 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 CSC000154015 [0,1,0,1,0,0|1,0,1]=4 89 B15R2.1668 CC(=O)Oc1ccc2ccccc2c1 CSC000002291 [0,1,0,1,0,0|0,0,1]=3 90 B15R2.53147 CC(=O)NC1CC(=O)c2c1cccc2 CSC010499844 [0,1,0,1,0,0|1,0,1]=4 91 B15R2.988 CC(=O)N1CC(=O)Nc2c1cccc2 CSC000161834 [0,1,0,1,0,0|2,0,0]=4 92 B15R2.79765 COC(=O)c1nccc2c1cccc2 CSC011526129 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.91 CC(=C)COc1ccccc1 CSC000171512 [0,0,0,0,2,0|2,0,0]=4 94 B11R1.91 CC(=C)CSc1ccccc1 CSC000006268 [0,0,0,0,2,0|2,0,0]=4 95 B11R1.91 CC(=O)NCc1cccnc1 CSC000154915 [0,0,0,0,2,0|2,0,0]=4 96 B11R1.91 CC(=O)NCc1ccncc1 CSC000154903 [0,0,0,0,2,0|2,0,0]=4 97 B11R1.91 CC(=O)NNc1ccccc1 CSC000153448 [0,0,0,0,2,0|2,0,0]=4 98 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [0,0,0,0,2,0|0,0,0]=2 99 B11R1.91 NC(=O)COc1ccccc1 CSC000150575 [0,0,0,0,2,0|2,0,0]=4