0 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.2 COC(=O)CC(N)=O CS-W022821 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 COC(C)CCO CS-W013686 [1,0,0,0,0,0|1,0,1]=3 3 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [1,0,0,0,0,0|1,0,0]=2 4 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.4 CC(=O)CCCCl CS-W013569 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.4 CC(=O)OCCBr CS-W007598 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.4 CCCOC(N)=O CS-W019060 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.4 COCCC(=O)O CS-W009112 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.4 N=C(O)NCCO CS-W011301 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O CS-0043555 [0,1,0,0,0,0|1,0,0]=2 11 B8R0.19 COC(=O)CC(=O)OC CS-0019394 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.23 NC(CC(=O)O)C(=O)O CS-W016540 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.23 O=C(O)CC(S)C(=O)O CS-W010986 [0,1,0,0,0,0|2,0,1]=4 14 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.4 CC1CCCC(N)C1 CS-D0430 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.18 CC1=C(C)OC(=O)O1 CS-W013644 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.18 CC1CC(=O)OC1=O CS-Z0015 [0,0,0,1,0,0|1,0,1]=3 19 B8R1.51 NC1CCS(=O)(=O)C1 CS-W005500 [0,0,0,1,0,0|2,0,1]=4 20 B6R0.3 COC(C)C(=O)O CS-W004806 [0,0,0,0,1,0|1,0,0]=2 21 B6R0.3 NC(=O)C(Br)CBr CS-0013982 [0,0,0,0,1,0|3,0,0]=4 22 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [0,0,0,0,0,1|2,0,1]=4 23 B5R0.1 CC(=O)CCO CS-0044370 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.1 CC(N)CCO CS-W004841 [2,0,0,0,0,0|1,0,1]=4 25 B5R0.1 CNCC(=N)O CS-W011178 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.2 C=CCCCO CS-W011355 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.3 CC[C@@H](N)CO CS-W020734 [2,0,0,0,0,0|1,0,0]=3 28 B5R0.3 CC[C@H](N)CO CS-W013745 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.3 NC(CO)CO CS-W007357 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.9 CC(C)(C)OC(N)=O CS-D1170 [1,1,0,0,0,0|2,0,0]=4 31 B7R0.9 O=C(O)CC(F)(F)F CS-0051640 [1,1,0,0,0,0|2,0,0]=4 32 B7R0.16 CC(C)[C@H](N)C(=N)O CS-W008135 [1,1,0,0,0,0|1,0,0]=3 33 B7R0.4 C(CCC)=CC(=O)O CS-W011247 [1,1,0,0,0,0|0,0,1]=3 34 B7R0.4 CCCCCB(O)O CS-W018820 [1,1,0,0,0,0|1,0,1]=4 35 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [1,1,0,0,0,0|1,0,1]=4 36 B7R0.6 CN(C)CCC(=O)O CS-W007826 [1,1,0,0,0,0|1,0,0]=3 37 B7R0.6 NC(=O)CCC(=O)O CS-0094544 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.13 C#CC(C)(C)C(=O)O CS-W018866 [0,1,0,0,1,0|0,0,2]=4 39 B7R0.13 CC(C)(CN)C(N)=O CS-W003343 [0,1,0,0,1,0|2,0,0]=4 40 B7R0.13 CC(C)(CO)C(=O)O CS-W011224 [0,1,0,0,1,0|1,0,0]=3 41 B9R0.27 CCC(=O)C(F)C(=O)OC CS-M3568 [0,2,0,0,0,0|1,0,1]=4 42 B9R0.34 CCOC(=O)CC(=O)O[K] CS-D1444 [0,2,0,0,0,0|1,0,1]=4 43 B9R0.53 CN(CC(=O)O)CC(=O)O CS-W007872 [0,2,0,0,0,0|1,0,1]=4 44 B9R0.11 CC(C)(CC(=O)O)C(=O)O CS-W016357 [0,2,0,0,0,0|1,0,1]=4 45 B7R1.1 NCC1CCOC1 CS-W004787 [1,0,0,1,0,0|1,0,1]=4 46 B7R1.1 OCC1CCOC1 CS-D1159 [1,0,0,1,0,0|1,0,1]=4 47 B7R1.2 NC1CCC(O)C1 CS-W005211 [1,0,0,1,0,0|1,0,1]=4 48 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [1,0,0,1,0,0|1,0,1]=4 49 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.12 O=C(O)C1CC1F CS-W006378 [1,0,0,1,0,0|1,0,0]=3 51 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [1,0,0,1,0,0|1,0,0]=3 52 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [1,0,0,1,0,0|1,0,0]=3 53 B7R1.18 O=C(O)C1CNC1 CS-W019846 [1,0,0,1,0,0|1,0,0]=3 54 B7R1.18 O=C(O)C1COC1 CS-B1344 [1,0,0,1,0,0|1,0,0]=3 55 B9R1.1 CCN1CCC(=O)CC1 CS-0046794 [0,0,0,1,0,1|2,0,0]=4 56 B9R1.35 O=C(O)C1CCC(O)=N1 CS-W013454 [0,0,0,1,0,1|1,0,1]=4 57 B9R1.35 O=C1CC[C@H](C(=O)O)O1 CS-W021140 [0,0,0,1,0,1|1,0,1]=4 58 B9R1.13 CC(=O)NC1CCCC1 CS-D0484 [0,1,0,1,0,0|2,0,0]=4 59 B9R1.13 CC(=O)NC1CCNC1 CS-0094541 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.13 O=C(O)CC1CCCN1 CS-W017883 [0,1,0,1,0,0|0,0,0]=2 61 B9R1.66 CC1(C)CC(=O)CCO1 CS-D0378 [0,1,0,1,0,0|2,0,0]=4 62 B9R1.128 O=C(O)CC1(CS)CC1 CS-0088374 [0,1,0,1,0,0|0,0,0]=2 63 B9R2.39 O=C1NC2CCC1C2 CS-B1546 [0,0,0,2,0,0|2,0,0]=4 64 B9R2.39 [C@H]12CC[C@H](C1)[C@H](O)C2 CS-0063194 [0,0,0,2,0,0|1,0,1]=4 65 B5R0.5 CC(C)C(N)=O CS-W019979 [1,0,0,0,1,0|1,0,0]=3 66 B5R0.5 CC(N)C(=O)O CS-0022544 [1,0,0,0,1,0|1,0,0]=3 67 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [1,0,0,0,1,0|2,0,0]=4