0 B9R0.45 NCCCCNCCCN AC-33945 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.45 OCCCCCCCCO AC-662 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.4 OCCCNCCCO AC-515 [1,0,0,0,0,0|2,0,1]=4 3 B10R0.4 NCCOCCOCC(=O)O AC-32529 [0,1,0,0,0,0|3,0,0]=4 4 B10R0.4 O=C(O)CCCCCCCBr AC-16341 [0,1,0,0,0,0|1,0,0]=2 5 B10R0.71 CCCCCCCC#CCO AC-1421 [0,1,0,0,0,0|0,0,3]=4 6 B10R0.71 OCCCCCCCCCBr AC-6708 [0,1,0,0,0,0|0,0,2]=3 7 B10R1.4 CN1CCCCC1CCCl AC-15352 [0,0,0,1,0,0|2,0,1]=4 8 B10R1.17 BrCCCN1CCCCC1 AC-29853 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.17 C1CCCCN1CCCC AC-2098 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.17 OCCCN1CCCCC1 AC-17215 [0,0,0,1,0,0|1,0,2]=4 11 B10R1.19 C=CN1CCCCCC1=O AC-14390 [0,0,0,1,0,0|1,0,2]=4 12 B10R1.20 CNC1CCCCC1NC AC-9569 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.20 CN[C@@H]1CCCC[C@H]1NC AC-1086 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.20 CN[C@H]1CCCC[C@@H]1NC AC-9570 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.20 OC[C@@H]1CCCC[C@H]1CO AC-22678 [0,0,0,1,0,0|1,0,2]=4 16 B10R1.20 OC[C@H]1CCCC[C@@H]1CO AC-25527 [0,0,0,1,0,0|1,0,2]=4 17 B10R1.21 N#CCCCN1CCCC1 AC-6872 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.21 N#CCCNC1CCCC1 AC-31850 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.29 CCCCN1CCCC1=O AC-24510 [0,0,0,1,0,0|1,0,0]=2 20 B7R0.1 CNCCCCNC AC-7475 [2,0,0,0,0,0|2,0,0]=4 21 B9R0.2 CCCCCCCC(=O)[O-] AC-1296 [1,1,0,0,0,0|0,0,0]=2 22 B9R0.2 NCCCCCCC(=O)O AC-27015 [1,1,0,0,0,0|1,0,0]=3 23 B9R0.2 NCCCCCCC(=O)O AC-6968 [1,1,0,0,0,0|1,0,0]=3 24 B11R0.30 CC(C)\C=C/CCCCC(=O)O AC-31792 [0,2,0,0,0,0|0,0,2]=4 25 B11R0.46 CCCCCN(C)CCC(=O)O AC-25861 [0,2,0,0,0,0|1,0,0]=3 26 B11R0.148 O=CCCCCCCCC(=O)O AC-33586 [0,2,0,0,0,0|0,0,1]=3 27 B9R1.5 NC1CCCCNC1=O AC-14462 [1,0,0,1,0,0|2,0,0]=4 28 B9R1.5 N[C@@H]1CCCCNC1=O AC-29489 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.5 N[C@@H]1CCCCNC1=O AC-9116 [1,0,0,1,0,0|2,0,0]=4 30 B9R1.5 N[C@H]1CCCCNC1=O AC-1938 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.5 N[C@H]1CCCCNC1=O AC-29490 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.8 ClCCN1CCCCC1 AC-2403 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.12 BrCCCN1CCCC1 AC-17195 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.12 BrCCCN1CCCC1 AC-946 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.12 CCCCN1CCCC1 AC-18281 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.12 ClCCCN1CCCC1 AC-1384 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.12 ClCCCN1CCCC1 AC-17193 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.12 OCCCN1CCCC1 AC-17216 [1,0,0,1,0,0|1,0,1]=4 39 B9R1.14 CCN1CCCC1CN AC-6117 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.15 CN1CCCCC1CO AC-7239 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.33 CCCN1CCCC1=O AC-24522 [1,0,0,1,0,0|1,0,0]=3 42 B9R1.33 CN1CCCC1CCN AC-6690 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.33 CN1CCCC1CCO AC-15702 [1,0,0,1,0,0|1,0,1]=4 44 B9R1.50 O=C1CCCCCCN1 AC-22532 [1,0,0,1,0,0|1,0,0]=3 45 B9R1.89 N#CC1CCCCCC1 AC-26546 [1,0,0,1,0,0|1,0,1]=4 46 B9R1.89 NCC1CCCCNC1 AC-6420 [1,0,0,1,0,0|2,0,0]=4 47 B11R1.199 CCOC(=O)C1CCCC1=O AC-5603 [0,1,0,1,0,0|1,0,1]=4 48 B11R1.91 O=C(O)CCC1CCCCC1 AC-18300 [0,1,0,1,0,0|0,0,0]=2 49 B11R1.91 O=C(O)CCN1CCOCC1 AC-26287 [0,1,0,1,0,0|2,0,0]=4 50 B11R1.143 NC1CCCCCC1C(=O)O AC-040 [0,1,0,1,0,0|1,0,0]=3 51 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O AC-26771 [0,1,0,1,0,0|1,0,0]=3 52 B11R1.381 CCN1CCCC[C@H](N)C1=O AC-6579 [0,1,0,1,0,0|1,0,0]=3 53 B11R2.20 C1CCC2NCCCC2C1 AC-16185 [0,0,0,2,0,0|1,0,1]=4 54 B11R2.106 O=C1CNCC2CCCN12 AC-30457 [0,0,0,2,0,0|2,0,0]=4 55 B11R2.106 [C@@H]12CCCN1C(=O)CNC2 AC-30540 [0,0,0,2,0,0|2,0,0]=4 56 B11R2.1 O=C1CCC2CNCCN12 AC-30465 [0,0,0,2,0,0|2,0,0]=4