0 B10R1.66 C1COC(O1)CC[N+](=O)[O-] PI-24636 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.66 ClC(=O)CCC1CCCC1 PI-25035 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.66 NC(=S)NCC1CCCO1 PI-24552 [0,0,0,0,0,0|2,1,0]=3 3 B10R1.66 OC(=O)CCC1CCCC1 PI-12731 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.12 C1CC(OC1)CN=C=S PI-24363 [1,0,0,0,0,0|1,1,1]=4 5 B11R1.25 C1CC(OC1)CNC(=O)CCl PI-19531 [0,1,0,0,0,0|1,0,0]=2 6 B9R0.2 BrCCCCCCC(=O)O PI-36573 [0,0,1,0,0,0|3,0,0]=4 7 B9R0.2 CC(=O)OCCCCCCl PI-44263 [0,0,1,0,0,0|1,0,0]=2 8 B9R0.2 CCCCCCOC(=O)Cl PI-41139 [0,0,1,0,0,0|2,0,0]=3 9 B9R0.2 NCCCCCCC(=O)O PI-11340 [0,0,1,0,0,0|3,0,0]=4 10 B9R0.2 O=C(O)CCCCCCO PI-37225 [0,0,1,0,0,0|2,0,0]=3 11 B9R0.48 CCOC(=O)CNC(=O)C PI-33248 [0,0,1,0,0,0|2,0,1]=4 12 B11R2.845 CC(=O)C1CC2C=CC1C2 PI-26008 [0,0,0,1,0,0|2,0,1]=4 13 B11R2.845 [O-]C(C1CC2CCC1C2)=O PI-48100 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.13 C1CC(NC1)CC(=O)O PI-27684 [0,0,0,0,1,0|2,0,0]=3 15 B9R1.13 C1CC(NC1)CC(=O)O PI-43782 [0,0,0,0,1,0|2,0,0]=3 16 B9R1.13 C1COCC1CC(=O)O PI-45427 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.13 CC(=O)NC1CCNC1 PI-26105 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.13 CC(=O)NC1CCNC1 PI-26911 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.13 CC(=O)NC1CCNC1 PI-27087 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.13 ClC(=O)OC1CCCC1 PI-24448 [0,0,0,0,1,0|2,0,0]=3 21 B9R1.84 C1CC(C1)CCC(=O)O PI-33316 [0,0,0,0,1,0|2,0,0]=3 22 B11R1.91 C1CCC(CC1)CCC(=O)O PI-44417 [0,0,0,0,0,1|3,0,0]=4 23 B8R0.4 CCOCCOCCBr PI-50169 [1,0,1,0,0,0|1,0,1]=4 24 B8R0.7 BrCCCCCC(=O)Cl PI-21506 [1,0,1,0,0,0|2,0,0]=4 25 B8R0.7 BrCCCCCC(=O)O PI-26630 [1,0,1,0,0,0|2,0,0]=4 26 B8R0.7 C(CCC(=O)N)CCBr PI-21503 [1,0,1,0,0,0|2,0,0]=4 27 B8R0.7 CC(=O)OCCCSC PI-35854 [1,0,1,0,0,0|1,0,0]=3 28 B8R0.7 CCCCCCC(=O)[O-] PI-46862 [1,0,1,0,0,0|2,0,0]=4 29 B8R0.7 CCCCCOC(=O)Cl PI-24536 [1,0,1,0,0,0|1,0,0]=3 30 B8R0.7 CCCCCOC(=S)[S-] PI-47065 [1,0,1,0,0,0|1,1,0]=4 31 B8R0.7 CCOCCOC(=O)Cl PI-48465 [1,0,1,0,0,0|1,0,0]=3 32 B8R0.7 CCOCCOC(C)=O PI-12911 [1,0,1,0,0,0|0,0,0]=2 33 B8R0.7 ClCOCCOC(=O)C PI-36404 [1,0,1,0,0,0|1,0,0]=3 34 B8R0.7 O=C(O)CCCCCN PI-41159 [1,0,1,0,0,0|2,0,0]=4 35 B8R0.9 CCC(C)CCC(O)=O PI-37097 [1,0,1,0,0,0|2,0,0]=4 36 B8R0.1 CCCCC(CCC)O PI-46865 [1,0,1,0,0,0|1,0,1]=4 37 B8R0.1 CCOCC(C)OCC PI-44418 [1,0,1,0,0,0|0,0,1]=3 38 B8R1.8 CNCC1CCCO1 PI-45431 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.8 COC[C@@H]1CCCN1 PI-35918 [2,0,0,0,0,0|1,0,0]=3 40 B10R0.4 C(CCCC(=O)O)CCCO PI-20834 [0,1,1,0,0,0|2,0,0]=4 41 B10R0.4 C(COCCOCC(=O)O)N PI-49367 [0,1,1,0,0,0|2,0,0]=4 42 B10R0.74 CCCCCCOC(=O)CN PI-15958 [0,1,1,0,0,0|1,0,0]=3 43 B10R1.11 CCOC(=O)C1CCCO1 PI-13056 [1,1,0,0,0,0|0,0,2]=4 44 B10R1.23 C1CCC(C1)C(C(=O)O)N PI-18401 [0,1,0,0,1,0|2,0,0]=4 45 B10R1.23 C1CCC(C1)C(C(=O)O)N PI-43694 [0,1,0,0,1,0|2,0,0]=4 46 B10R1.18 C1CCC(CC1)OC(=O)Cl PI-42237 [0,0,1,1,0,0|2,0,0]=4 47 B10R1.18 CC(=O)CC1CCCCC1 PI-17830 [0,0,1,1,0,0|2,0,0]=4 48 B10R1.18 CC(=O)OC1CCCC=C1 PI-38668 [0,0,1,1,0,0|1,0,1]=4 49 B10R1.348 CC(=O)N1CCNCCC1 PI-29781 [0,0,1,1,0,0|2,0,0]=4 50 B10R2.99 O=CC1CC2CCC1C2 PI-36408 [1,0,0,1,0,0|2,0,0]=4 51 B12R2.2918 C1CCC2(CC1)CC(=O)NC2 PI-16814 [0,0,0,1,0,1|2,0,0]=4 52 B12R2.1175 O=C1CCC2(OCCO2)CC1 PI-20910 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [0,0,0,0,2,0|2,0,0]=4 54 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [0,0,0,0,2,0|1,0,0]=3 55 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [0,0,0,0,2,0|1,0,0]=3 56 B8R1.7 CC(=O)C1CCCC1 PI-38161 [0,0,0,0,2,0|1,0,0]=3 57 B8R1.7 CC(=O)C1CCOC1 PI-42706 [0,0,0,0,2,0|2,0,0]=4 58 B8R1.7 ClC(=O)C1CCCC1 PI-39144 [0,0,0,0,2,0|2,0,0]=4 59 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-10274 [0,0,0,0,2,0|2,0,0]=4 60 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-16579 [0,0,0,0,2,0|2,0,0]=4 61 B8R1.7 NC(=O)[C@H]1CCCN1 PI-16293 [0,0,0,0,2,0|2,0,0]=4 62 B8R1.7 OC(=O)C1CCCC1 PI-39143 [0,0,0,0,2,0|2,0,0]=4 63 B8R1.7 OC(=O)C1CCCO1 PI-33719 [0,0,0,0,2,0|1,0,0]=3 64 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [0,0,0,0,2,0|2,0,0]=4 65 B8R1.34 CC(=O)NC1CNC1 PI-39138 [0,0,0,0,2,0|2,0,0]=4