0 B7R0.4 C(CCC)=CC(=O)O CS-W011247 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 CC(O)CNCCO CS-M0804 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 CCCCCB(O)O CS-W018820 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.4 CC(=O)CCCCl CS-W013569 [1,0,0,0,0,0|1,0,0]=2 4 B6R0.4 CC(=O)OCCBr CS-W007598 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.4 CCCOC(N)=O CS-W019060 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.4 CN(C)CCCCl CS-W019575 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.4 CNCCC(C)C CS-0039334 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.4 COCCC(=O)O CS-W009112 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.6 C#CCCCCO CS-W016659 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.6 C=CCCCCBr CS-W008939 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.6 ClCCCCCBr CS-W016940 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.6 FCCCCCBr CS-W005161 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.6 ICCCCCI CS-0041009 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 C#CCCCCC(=O)O CS-0020150 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.7 CN(C)CCOCCO CS-W011078 [0,1,0,0,0,0|3,0,0]=4 16 B8R0.7 O=C(O)CCCCCBr CS-W007559 [0,1,0,0,0,0|1,0,0]=2 17 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [0,1,0,0,0,0|1,0,0]=2 18 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.28 CC(=O)CCC=C(C)C CS-W011151 [0,1,0,0,0,0|0,0,2]=3 20 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.4 CC1CCCC(N)C1 CS-D0430 [0,0,0,1,0,0|1,0,1]=3 23 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,0,0,1,0,0|1,0,1]=3 24 B8R1.4 O=C1CCCC(=O)N1 CS-W023103 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.4 [C@H]1(C)CNC[C@@H](C)N1 CS-W013630 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [0,0,0,1,0,0|0,0,0]=1 27 B8R1.7 CC(O)C1CCNC1 CS-0033515 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.7 NC(=O)C1CCCN1 CS-W005850 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-W018129 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.22 CC1CCNCCN1 CS-W022406 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.22 O=C1C=CCCCC1 CS-W007594 [0,0,0,1,0,0|0,0,2]=3 33 B5R0.1 CC(=O)CCO CS-0044370 [2,0,0,0,0,0|1,0,0]=3 34 B5R0.1 CCOC(C)=N CS-W008601 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.2 BrCCCCBr CS-W020631 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.2 C=CCCCO CS-W011355 [2,0,0,0,0,0|1,0,1]=4 37 B5R0.2 ICCCCI CS-W004871 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [1,1,0,0,0,0|0,0,1]=3 39 B7R0.5 NC(CCO)C(=O)O CS-W013586 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [1,1,0,0,0,0|0,0,1]=3 41 B7R0.6 CN(C)CCC(=O)O CS-W007826 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.1 C#CCCCCCO CS-W007441 [1,1,0,0,0,0|0,0,2]=4 43 B7R0.1 ClCCCCCCI CS-0059200 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.1 NCCCCCCN CS-W015964 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.1 OCCCCCCCl CS-B1599 [1,1,0,0,0,0|0,0,2]=4 46 B7R0.7 COCC(N)COC CS-W005488 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.6 CCOC(=O)C(Cl)C(C)=O CS-W018512 [0,2,0,0,0,0|1,0,1]=4 48 B9R0.5 CCOC(=O)COCCCl CS-W018917 [0,2,0,0,0,0|2,0,0]=4 49 B9R0.8 CCCCC(Br)C(=O)OC CS-M2020 [0,2,0,0,0,0|0,0,0]=2 50 B9R0.24 COC(=O)CCC(=O)CBr CS-0042170 [0,2,0,0,0,0|1,0,1]=4 51 B9R0.48 CCOC(=O)CCC(C)=O CS-W011009 [0,2,0,0,0,0|0,0,1]=3 52 B9R0.48 CCOC(=O)CNC(C)=O CS-W016367 [0,2,0,0,0,0|1,0,1]=4 53 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.3 BrC1CCCCC1 CS-W017925 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.3 C=C1CCNCC1 CS-D0508 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.3 O=C1CCCCN1 CS-W022933 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.3 O=C1CCCOC1 CS-D1576 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.12 O=C(O)C1CC1F CS-W006378 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.18 O=C(O)C1CNC1 CS-W019846 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.18 O=C(O)C1COC1 CS-B1344 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.1 COC1CCNC1 CS-W004880 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.1 NCC1CCOC1 CS-W004787 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.1 OCC1CCOC1 CS-D1159 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.4 NC1CCNC1=O CS-0113495 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.4 NN1CCCC1=O CS-D0019 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.13 CC(=O)NC1CCCC1 CS-D0484 [0,1,0,1,0,0|0,0,0]=2 72 B9R1.13 CC(=O)NC1CCNC1 CS-0094541 [0,1,0,1,0,0|1,0,0]=3 73 B9R1.13 O=C(O)CC1CCCN1 CS-W017883 [0,1,0,1,0,0|1,0,0]=3 74 B9R1.41 CC(=O)C1CCOC1=O CS-0015945 [0,1,0,1,0,0|1,0,1]=4 75 B9R1.66 CC1(C)CC(=O)CCO1 CS-D0378 [0,1,0,1,0,0|1,0,0]=3 76 B9R1.137 CC(=O)CC(=O)C1CC1 CS-W006361 [0,1,0,1,0,0|0,0,1]=3 77 B9R1.1 CCN1CCC(=O)CC1 CS-0046794 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.2 CN1CCCC(CO)C1 CS-W021353 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.3 CN1CCCN(C)C1=O CS-W009128 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.11 COC(=O)C1CC=CC1 CS-W003142 [0,1,0,1,0,0|0,0,2]=4 81 B9R1.11 O=C(CCl)N1CCCC1 CS-0037280 [0,1,0,1,0,0|1,0,0]=3 82 B9R1.89 COC1=NCCCCC1 CS-W019476 [0,1,0,1,0,0|1,0,0]=3 83 B9R1.6 CC(=O)C1CCNCC1 CS-W021259 [0,1,0,1,0,0|0,0,0]=2 84 B9R1.6 CC(=O)N1CCOCC1 CS-W011119 [0,1,0,1,0,0|1,0,0]=3 85 B9R1.6 O=C(O)C1COCCN1 CS-0043809 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.163 C[C@@]1(C(=O)O)CCCN1 CS-M1378 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.82 COC(=O)C1CC(=O)C1 CS-W007372 [0,1,0,1,0,0|1,0,1]=4 88 B9R2.39 O=C1NC2CCC1C2 CS-B1546 [0,0,0,2,0,0|1,0,0]=3 89 B9R2.39 [C@H]1(N)C[C@@H]2CC[C@H]1C2 CS-0044000 [0,0,0,2,0,0|1,0,1]=4 90 B9R2.39 [C@H]12CC[C@H](C1)[C@H](O)C2 CS-0063194 [0,0,0,2,0,0|0,0,2]=4