0 B9R0.7 CC(C)COC(=O)C(C)Cl PI-15308 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.7 CC(C)COC(=O)C(C)O PI-10845 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.7 CC(CNC(=O)C(=C)C)O PI-19313 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.28 CC(C)N=C=NC(C)C PI-43217 [1,0,0,0,0,0|3,0,0]=4 4 B10R0.92 CC(=C)C(=O)OC[Si](C)(C)C PI-35299 [0,1,0,0,0,0|0,1,2]=4 5 B10R0.93 CC(C)C(=O)CC(=O)C(C)C PI-47103 [0,1,0,0,0,0|1,0,1]=3 6 B8R0.23 CC(=O)CC(=O)N(C)C PI-40778 [0,0,0,0,1,0|2,0,1]=4 7 B8R0.23 CC(C)CC(=O)C(=O)O PI-14719 [0,0,0,0,1,0|2,0,1]=4 8 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-13111 [0,0,0,0,1,0|2,0,1]=4 9 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-19628 [0,0,0,0,1,0|2,0,1]=4 10 B8R0.23 CC(C)OC(=O)[C@@H](C)N PI-33214 [0,0,0,0,1,0|1,0,0]=2 11 B7R0.5 CCOC(=O)C(Br)F PI-13394 [2,0,0,0,0,0|2,0,0]=4 12 B7R0.5 CCOC(=O)C(C)Br PI-44612 [2,0,0,0,0,0|1,0,0]=3 13 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [2,0,0,0,0,0|1,0,0]=3 14 B7R0.5 CCOC(=O)C(C)F PI-12305 [2,0,0,0,0,0|1,0,0]=3 15 B7R0.5 CCOC(=O)C(F)Cl PI-49444 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.5 CCOC(=O)C(F)F PI-24421 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.5 CCOC(=O)C(F)I PI-49445 [2,0,0,0,0,0|2,0,0]=4 18 B7R0.5 CCOC(=O)C(N)C PI-10064 [2,0,0,0,0,0|1,0,0]=3 19 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [2,0,0,0,0,0|1,0,0]=3 20 B7R0.6 CC(=C)COC(=O)C PI-47091 [2,0,0,0,0,0|0,0,2]=4 21 B7R0.6 CC(=O)OCC(F)F PI-21167 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.6 CC(C)CCC(=O)O PI-25767 [2,0,0,0,0,0|2,0,0]=4 23 B9R0.3 C#CCOC(=O)C(Br)(C)C PI-38457 [1,1,0,0,0,0|0,0,2]=4 24 B9R0.23 CC(C)CC(C(=O)OC)N PI-14279 [1,1,0,0,0,0|2,0,0]=4 25 B9R0.23 CCC(=O)C(C)CN(C)C PI-49397 [1,1,0,0,0,0|2,0,0]=4 26 B9R0.23 N[C@@H](CC(C)C)C(OC)=O PI-25825 [1,1,0,0,0,0|2,0,0]=4 27 B9R0.48 CC(C)COC(=O)CC#N PI-32786 [1,1,0,0,0,0|0,0,1]=3 28 B9R0.48 CC(C)COC(=O)CC=C PI-50678 [1,1,0,0,0,0|0,0,1]=3 29 B9R0.10 CC(C)OC(=O)C(C)(C)Br PI-12721 [0,1,0,0,1,0|0,0,0]=2 30 B9R0.57 CC(C)(C)OC(=O)N(C)N PI-50614 [0,1,0,0,1,0|2,0,0]=4 31 B9R0.57 O=C([C@@H](N)C)OC(C)(C)C PI-31054 [0,1,0,0,1,0|1,0,0]=3 32 B9R0.57 O=C([C@H](N)C)OC(C)(C)C PI-18724 [0,1,0,0,1,0|1,0,0]=3 33 B11R0.34 CC(CNC(=O)OC(C)(C)C)O PI-47097 [0,1,0,0,0,1|2,0,0]=4 34 B11R0.34 C[C@H](CNC(=O)OC(C)(C)C)O PI-39368 [0,1,0,0,0,1|2,0,0]=4 35 B9R1.5 C1CCNC(=O)C(C1)N PI-27340 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.5 C1CCNC(=O)C(C1)N PI-48189 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.5 CN1CCCCCC1=O PI-15330 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.40 CC1(CNCCC1=O)C PI-50037 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.69 O=C1C(C)CN(C)CC1 PI-41312 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.49 CN1CCCC(=O)CC1 PI-45965 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.138 CC1(C)COC(=O)C1O PI-27920 [1,0,0,1,0,0|1,0,0]=3 42 B9R1.138 CC1(COC(=O)C1O)C PI-18732 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.138 O=C1OCC(C)(C)[C@@H]1O PI-27686 [1,0,0,1,0,0|1,0,0]=3 44 B11R1.645 CC1CN(C(=O)O1)CC(C)O PI-19463 [0,0,0,1,0,1|2,0,0]=4 45 B11R1.166 CC1CCC(C(=O)C1)C(C)C PI-41659 [0,1,0,1,0,0|1,0,1]=4 46 B7R0.2 CC(C)OC(=O)CO PI-35449 [1,0,0,0,1,0|1,0,0]=3 47 B7R0.2 CC(CC(=O)OC)N PI-42254 [1,0,0,0,1,0|2,0,0]=4 48 B7R0.2 CC(CC(=O)OC)O PI-42249 [1,0,0,0,1,0|2,0,0]=4 49 B7R0.2 CC(CC(=O)OC)O PI-42250 [1,0,0,0,1,0|2,0,0]=4 50 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [1,0,0,0,1,0|2,0,0]=4 51 B7R0.2 COC(=O)CC(C)N PI-42155 [1,0,0,0,1,0|2,0,0]=4 52 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [1,0,0,0,1,0|2,0,0]=4 53 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [1,0,0,0,1,0|2,0,0]=4 54 B7R0.2 O=C(OC(C)C)CN PI-46621 [1,0,0,0,1,0|1,0,0]=3 55 B9R0.55 CC(NCCNC(C)C)C PI-25541 [1,0,0,0,0,1|2,0,0]=4