0 B11R1.16 CCOC(=O)C1OCCCO1 19-2857 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.16 CCOC(=O)C1SCCCS1 08-9449 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 19-2147 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.15 COC(=O)C1=CCOCC1 08-3139 [1,0,0,0,0,0|1,0,2]=4 4 B10R1.15 COC(=O)C1CCNCC1 08-10001 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.15 COC(=O)C1CCSCC1 08-6096 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.15 COC(=O)[C@H]1CCCOC1 08-3275 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.34 CON(C)C(=O)C1CCOCC1 19-2811 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.308 CCOC(=O)[C@@H]1CCCNC1=O BIO-587 [0,1,0,0,0,0|1,0,1]=3 9 B10R0.19 CCOC(=O)[C@@H](N)CCCN 04-2218 [0,0,1,0,0,0|2,0,0]=3 10 B10R0.19 CCOC(=O)[C@@H](N)CCSC 04-2072 [0,0,1,0,0,0|2,0,0]=3 11 B10R0.19 CCOC(=O)[C@@H](N)CCSC 19-2839 [0,0,1,0,0,0|2,0,0]=3 12 B10R1.11 CCOC(=O)[C@@H]1CCCN1 04-1752 [0,0,0,0,1,0|1,0,0]=2 13 B12R1.32 CCOC(=O)CC1CCOCC1 08-7322 [0,0,0,0,0,1|1,0,0]=2 14 B9R0.5 CCCCCC(=O)OCC 023020S [1,0,1,0,0,0|0,0,0]=2 15 B9R0.45 CCCCCCCCCC 05-1000 [1,0,1,0,0,0|1,0,1]=4 16 B9R0.46 CCCCCCC(=O)OC 20-0700 [1,0,1,0,0,0|0,0,0]=2 17 B9R0.46 COC(=O)CCCCCBr 19-614 [1,0,1,0,0,0|1,0,0]=3 18 B9R0.8 CCCC[C@H](N)C(=O)OC 04-2197 [1,0,1,0,0,0|1,0,0]=3 19 B9R0.8 COC(=O)[C@@H](N)CCCN 04-2219 [1,0,1,0,0,0|2,0,0]=4 20 B9R0.8 COC(=O)[C@@H](N)CCSC 04-2076 [1,0,1,0,0,0|2,0,0]=4 21 B9R0.8 COC(=O)[C@@H](N)CCSC 20-1871 [1,0,1,0,0,0|2,0,0]=4 22 B9R1.6 NC(=O)C1CCOCC1 08-6142 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.6 NC(=O)[C@H]1CCCNC1 08-7921 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.6 NC(=O)[C@H]1CCCNC1 19-2869 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.6 O=C(Cl)C1CCOCC1 08-2544 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.6 O=C(O)C1CCOCC1 08-1374 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.6 O=C(O)C1CCSCC1 08-6148 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.6 O=C(O)[C@@H]1CCCCN1 BIO-933 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.6 O=C(O)[C@@H]1CSCCN1 08-10079 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.6 O=C(O)[C@H]1CCCOC1 08-5669 [2,0,0,0,0,0|1,0,0]=3 31 B9R1.6 O=C(O)[C@H]1CCCSC1 08-5693 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.6 OB(O)C1CCCCC1 08-208 [2,0,0,0,0,0|1,0,1]=4 33 B11R0.4 CCCCCCCC(=O)OCC 023218S [0,1,1,0,0,0|0,0,0]=2 34 B11R0.155 CCOC(=O)[C@@H](N)CCCCN 04-2030 [0,1,1,0,0,0|1,0,0]=3 35 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 08-5435 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 08-7522 [1,1,0,0,0,0|0,0,0]=2 37 B11R1.23 COC(=O)[C@H]1CCNC(=O)C1 08-7680 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.222 COC(=O)[C@@H]1CSCCC1=O 08-7736 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.878 COC(=O)C1(C)CCOCC1 08-7713 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.15 CCOC(=O)N1CCC(=O)C1 08-5214 [0,1,0,0,1,0|1,0,1]=4 41 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 04-1822 [0,1,0,0,1,0|1,0,0]=3 42 B13R1.463 CCOC(=O)[C@@H]1CCSCCC1=O 08-9706 [0,1,0,0,0,1|0,0,1]=3 43 B13R1.352 CC(C)(C)OC(=O)N1CCNCC1 04-851 [0,2,0,0,0,0|2,0,0]=4 44 B13R1.352 CC(C)(C)OC(=O)N1CCNCC1 08-1820 [0,2,0,0,0,0|2,0,0]=4 45 B13R1.4472 CCOC(=O)C1(C#N)CCOCC1 08-7331 [0,2,0,0,0,0|1,0,0]=3 46 B11R2.1 O=C1NC[C@@H]2CCNC[C@H]12 08-7794 [1,0,0,1,0,0|2,0,0]=4 47 B13R2.11128 O=C1NC2(CCNCC2)CCO1 08-8083 [0,0,0,1,0,1|1,0,0]=3 48 B13R2.11128 O=C1N[C@@]2(CCCNC2)CCO1 08-8085 [0,0,0,1,0,1|1,0,0]=3 49 B13R2.856 CCOC(=O)[C@H]1CC2CCC1N2 08-6235 [0,1,0,1,0,0|0,0,0]=2 50 B9R1.11 COC(=O)[C@@H]1CCCN1 04-2369 [1,0,0,0,1,0|1,0,0]=3 51 B9R1.11 COC(=O)[C@@H]1CCCN1 20-2305 [1,0,0,0,1,0|1,0,0]=3 52 B9R1.11 COC(=O)[C@H]1CCOC1 08-7659 [1,0,0,0,1,0|1,0,0]=3 53 B9R1.73 CCOC(=O)C1CNC1 08-5203 [0,0,0,0,2,0|1,0,0]=3