0 B11R1.172 CC(=O)NCCn1cccn1 CSC011671154 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.172 CC(C)CNCc1cccs1 CSC000187049 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.172 CC(O)CNCc1ccco1 CSC000202024 [0,0,0,0,0,0|2,1,1]=4 3 B11R1.172 CC(O)CNCc1cccs1 CSC000186852 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.21 CCCNCc1cccs1 CSC000186944 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.21 OCCNCc1ccco1 CSC000200452 [1,0,0,0,0,0|1,1,1]=4 6 B10R1.21 OCCNCc1cccs1 CSC000200436 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.21 OCCNCc1cncs1 CSC011744557 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.54 NC(=O)CNC(=O)c1cccs1 CSC000162135 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.105 CC(=C)CNCc1ccc(s1)Br CSC011645356 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.105 CC(O)CNCc1cc(cs1)Br CSC000202060 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.105 CC(O)CNCc1ccc(s1)C CSC000186858 [0,1,0,0,0,0|2,0,1]=4 12 B12R1.105 CC(O)CNCc1ccc(s1)Cl CSC000227609 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.105 Cc1nnc(s1)NCCC(=O)O CSC000238775 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.105 Cc1nnc(s1)SCCC(=O)O CSC000208783 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.105 NC(=N)NCCc1ccc(s1)Br CSC057267660 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.105 NC(=N)NCCc1ccc(s1)Cl CSC057679290 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.105 NC(=N)NCCc1ccc(s1)I CSC015393463 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.130 CC(=O)OCCc1scnc1C CSC000024203 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.130 CC(O)CNCc1sccc1C CSC000189055 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.264 NC(=O)C(=O)NCc1cccs1 CSC042609822 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.477 COC(=O)CSCc1ccco1 CSC011204649 [0,1,0,0,0,0|1,1,0]=3 22 B10R1.66 CC(=O)NCc1cccs1 CSC000154743 [0,0,0,0,1,0|2,0,0]=3 23 B12R1.252 CC(=O)CCSc1ccccc1 CSC000208507 [0,0,0,0,0,1|3,0,0]=4 24 B12R1.252 CC(=O)CCSc1ccccn1 CSC000208669 [0,0,0,0,0,1|3,0,0]=4 25 B12R1.252 CC(=O)CSCc1ccccc1 CSC000172147 [0,0,0,0,0,1|3,0,0]=4 26 B12R1.252 CC(=O)NCCc1ccccc1 CSC000153396 [0,0,0,0,0,1|3,0,0]=4 27 B12R1.252 CC(=O)OCCc1ccccc1 CSC000024547 [0,0,0,0,0,1|3,0,0]=4 28 B12R1.252 NC(=O)CCCc1ccccc1 CSC011273634 [0,0,0,0,0,1|2,0,0]=3 29 B12R1.252 NC(=O)CSCc1ccccc1 CSC000149389 [0,0,0,0,0,1|3,0,0]=4 30 B12R1.252 NC(=O)NCCc1ccccc1 CSC000238938 [0,0,0,0,0,1|3,0,0]=4 31 B12R1.255 CC(C)CCNCc1cccs1 CSC000200825 [0,0,0,0,0,1|2,0,1]=4 32 B12R1.255 NC(=O)CCNCc1ccco1 CSC000177373 [0,0,0,0,0,1|1,1,0]=3 33 B9R1.12 CCNCc1cccs1 CSC000186918 [2,0,0,0,0,0|1,0,1]=4 34 B9R1.12 OCCSc1cccs1 CSC011305907 [2,0,0,0,0,0|1,0,0]=3 35 B11R1.4 CCCCNCc1cccs1 CSC000200673 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.4 OCCCNCc1ccco1 CSC000200620 [1,1,0,0,0,0|0,1,1]=4 37 B11R1.4 OCCCNCc1cccs1 CSC000187002 [1,1,0,0,0,0|0,0,1]=3 38 B11R1.27 Cc1ccc(s1)CNCCO CSC000186996 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.180 Cc1ccsc1CNCCO CSC000189083 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.75 Cc1csc(n1)CCC(=O)N CSC000083491 [0,1,0,0,1,0|2,0,0]=4 41 B13R1.149 OC(=O)CCNc1cc(ccn1)Br CSC015374659 [0,1,0,0,0,1|2,0,0]=4 42 B13R1.149 OC(=O)CCNc1cncc(c1)Br CSC013713006 [0,1,0,0,0,1|2,0,0]=4 43 B13R1.158 OC(=O)CCNc1ccncc1Br CSC015235960 [0,1,0,0,0,1|2,0,0]=4 44 B13R1.158 OC(=O)CCNc1ccncc1Cl CSC015390251 [0,1,0,0,0,1|2,0,0]=4 45 B13R1.158 OC(=O)CCNc1ncccc1Br CSC015257812 [0,1,0,0,0,1|2,0,0]=4 46 B13R1.158 OC(=O)CCNc1ncccc1Cl CSC021943901 [0,1,0,0,0,1|2,0,0]=4 47 B13R1.158 OC(=O)CCNc1ncccc1I CSC057723439 [0,1,0,0,0,1|2,0,0]=4 48 B13R1.513 OC(=O)CCNc1ccc(cn1)Br CSC057255885 [0,1,0,0,0,1|2,0,0]=4 49 B13R1.513 OC(=O)CCNc1ccc(cn1)Cl CSC025755724 [0,1,0,0,0,1|2,0,0]=4 50 B13R1.513 OC(=O)CCNc1ccc(cn1)Cl CSC025755724 [0,1,0,0,0,1|2,0,0]=4 51 B13R1.513 OC(=O)CCNc1ccc(cn1)I CSC056847524 [0,1,0,0,0,1|2,0,0]=4 52 B13R1.513 OC(=O)CCNc1ncc(cn1)Br CSC015946636 [0,1,0,0,0,1|2,0,0]=4 53 B13R1.513 OC(=O)CCNc1ncc(cn1)Cl CSC015284654 [0,1,0,0,0,1|2,0,0]=4 54 B13R1.718 COC(=O)CCCc1ccccc1 CSC011295115 [0,1,0,0,0,1|1,0,0]=3 55 B13R1.718 COC(=O)CCOc1ccccc1 CSC000149921 [0,1,0,0,0,1|2,0,0]=4 56 B13R1.718 COC(=O)CCSc1ccccc1 CSC000149870 [0,1,0,0,0,1|2,0,0]=4 57 B13R1.718 COC(=O)CSCc1ccccc1 CSC000151540 [0,1,0,0,0,1|2,0,0]=4 58 B13R1.718 COC(=O)CSCc1cccnc1 CSC000043084 [0,1,0,0,0,1|2,0,0]=4 59 B13R1.718 COC(=O)NCCc1ccccc1 CSC000235985 [0,1,0,0,0,1|2,0,0]=4 60 B13R1.128 Cc1nnc(s1)NCCCC(=O)O CSC012237701 [0,1,0,0,0,1|2,0,0]=4 61 B13R1.128 Cc1nsc(n1)NCCCC(=O)O CSC012250789 [0,1,0,0,0,1|2,0,0]=4 62 B13R1.128 OC(=O)CCNCc1cc(cs1)Br CSC011260673 [0,1,0,0,0,1|0,0,0]=2 63 B13R1.128 OC(=O)CCNCc1ccc(o1)Br CSC011260722 [0,1,0,0,0,1|0,1,0]=3 64 B13R1.128 OC(=O)CCNCc1ccc(s1)Br CSC011260699 [0,1,0,0,0,1|0,0,0]=2 65 B13R1.128 OC(=O)CCNCc1ccc(s1)Cl CSC011260687 [0,1,0,0,0,1|0,0,0]=2 66 B13R1.128 OC(=O)CCNCc1csc(c1)Br CSC011300539 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.167 OC(=O)CCNCc1ccsc1Cl CSC017060974 [0,1,0,0,0,1|2,0,0]=4 68 B13R1.167 OC(=O)CCNCc1sccc1Br CSC011541698 [0,1,0,0,0,1|0,0,0]=2 69 B13R1.536 CCC(=O)NCCCc1ccco1 CSC046968056 [0,1,0,0,0,1|1,1,0]=4 70 B13R1.162 COC(=O)CCC(=O)c1cccs1 CSC000000775 [0,2,0,0,0,0|0,0,1]=3 71 B13R1.168 Cc1ccsc1C(=O)NCC(=O)O CSC000194585 [0,2,0,0,0,0|1,0,1]=4 72 B13R1.717 NCC(=O)NCCc1ccc(s1)Br CSC012771245 [0,2,0,0,0,0|2,0,0]=4 73 B13R1.717 NCC(=O)NCCc1ccc(s1)Cl CSC011598835 [0,2,0,0,0,0|2,0,0]=4 74 B13R1.717 NCC(=O)NCCc1ccc(s1)I CSC057511519 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.3424 CN(CC(=O)O)Cc1cc(cs1)Br CSC011502009 [0,2,0,0,0,0|1,0,0]=3 76 B13R1.3424 CN(CC(=O)O)Cc1ccc(o1)Br CSC011296753 [0,2,0,0,0,0|1,1,0]=4 77 B13R1.3424 CN(CC(=O)O)Cc1ccc(s1)Br CSC011192411 [0,2,0,0,0,0|1,0,0]=3 78 B13R1.3424 CN(CC(=O)O)Cc1ccc(s1)Cl CSC011192408 [0,2,0,0,0,0|1,0,0]=3 79 B13R1.282 CN(CC(=O)O)Cc1sccc1Br CSC011541702 [0,2,0,0,0,0|1,0,0]=3 80 B13R1.282 CN(CC(=O)O)Cc1sccc1C CSC011192435 [0,2,0,0,0,0|1,0,0]=3 81 B13R1.545 CCC(=O)NC(C)Cc1cccs1 CSC011253061 [0,2,0,0,0,0|2,0,0]=4 82 B13R1.1074 CC(C)(NCc1ccco1)C(=O)O CSC011458585 [0,2,0,0,0,0|1,1,0]=4 83 B13R2.12 O=C1CCC(=NN1)c2cccs2 CSC000005676 [0,1,0,1,0,0|1,0,1]=4 84 B13R2.430 NC(=O)N1CCc2sccc2C1 CSC000741979 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.13 NC(=O)Cc1cccs1 CSC000162174 [0,0,0,0,2,0|1,0,0]=3 86 B13R1.337 CC(=O)OCCCc1ccccc1 CSC000006332 [0,0,0,0,0,2|2,0,0]=4