0 B7R0.3 COC(=O)\C=C\CBr CS-W008761 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 CO\C=C\C(=O)OC CS-0076974 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCC[C@H](N)CO CS-M2256 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.1 CCOC(=O)CN CS-W020007 [1,0,0,0,0,0|1,0,0]=2 4 B6R0.1 CCO\C(C)=N\O CS-W013688 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.1 COC(=O)CC#N CS-W016657 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 COC(=O)CCS CS-0000049 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 COC(=O)OCCl CS-0067504 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.1 COCC(=O)NN CS-W005634 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.4 CC(=O)CCCCl CS-W013569 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.4 CC(=O)OCCBr CS-W007598 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.4 CC(C)OCCBr CS-W018660 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CCCOC(N)=O CS-W019060 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.4 COCCC(=O)O CS-W009112 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.6 OCCOCCCl CS-0016058 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.1 CCOC(=O)CCCBr CS-W020133 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.8 C=C(C)C(=O)OCCO CS-W013439 [0,1,0,0,0,0|1,0,1]=3 17 B8R0.11 CCCCC(CC)CBr CS-W004392 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.11 CCCCC(CC)CO CS-0016002 [0,1,0,0,0,0|1,0,2]=4 19 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.5 CC1CCCCC1=O CS-W011265 [0,0,0,1,0,0|1,0,0]=2 23 B8R1.5 NC1CCCNC1=O CS-D0182 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.5 O=C1CCNCC1F CS-0044438 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.22 O=C1C=CCCCC1 CS-W007594 [0,0,0,1,0,0|1,0,1]=3 26 B8R1.38 COC(=O)C1CNC1 CS-D1541 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.38 COC(=O)C1COC1 CS-0045513 [0,0,0,1,0,0|3,0,0]=4 28 B5R0.1 CC(=O)CCO CS-0044370 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.1 CCOC(C)=N CS-W008601 [2,0,0,0,0,0|1,0,0]=3 30 B5R0.3 CNC(=O)CBr CS-0023001 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.3 CNC(=O)CCl CS-W007769 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.3 COC(=O)CN CS-W018508 [2,0,0,0,0,0|1,0,0]=3 33 B5R0.3 COC(=O)NN CS-0015902 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [1,1,0,0,0,0|0,0,1]=3 35 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [1,1,0,0,0,0|1,0,0]=3 36 B7R0.5 CCOC(=O)C(C)Br CS-0009888 [1,1,0,0,0,0|0,0,0]=2 37 B7R0.5 CCOC(=O)C(N)=O CS-0008213 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [1,1,0,0,0,0|0,0,0]=2 39 B7R0.10 CCC(Br)C(=O)OC CS-W017174 [1,1,0,0,0,0|1,0,0]=3 40 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [1,1,0,0,0,0|1,0,0]=3 41 B7R0.10 COC(=O)[C@@H](N)CO CS-B1301 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.10 COC(=O)[C@H](N)CCl CS-W017536 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.4 C(CCC)=CC(=O)O CS-W011247 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [1,1,0,0,0,0|1,0,1]=4 45 B9R0.5 CCOC(=O)COCCCl CS-W018917 [0,2,0,0,0,0|1,0,0]=3 46 B9R0.8 CCCCC(Br)C(=O)OC CS-M2020 [0,2,0,0,0,0|2,0,0]=4 47 B9R0.48 CCOC(=O)CCC(C)=O CS-W011009 [0,2,0,0,0,0|1,0,1]=4 48 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC CS-W017143 [0,2,0,0,0,0|2,0,0]=4 49 B7R1.1 COC1=NCCC1 CS-W022401 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.3 BrC1CCCCC1 CS-W017925 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.3 C=C1CCNCC1 CS-D0508 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.3 O=C1CCCCN1 CS-W022933 [1,0,0,1,0,0|1,0,0]=3 54 B7R1.3 O=C1CCCOC1 CS-D1576 [1,0,0,1,0,0|1,0,0]=3 55 B7R1.4 NC1CCNC1=O CS-0113495 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.4 NN1CCCC1=O CS-D0019 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [1,0,0,1,0,0|1,0,0]=3 59 B9R1.3 CN1CCCN(C)C1=O CS-W009128 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.11 O=C(CCl)N1CCCC1 CS-0037280 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.1 CCN1CCC(=O)CC1 CS-0046794 [0,1,0,1,0,0|1,0,0]=3 62 B9R1.89 COC1=NCCCCC1 CS-W019476 [0,1,0,1,0,0|1,0,1]=4 63 B9R1.35 O=C1CC[C@H](C(=O)O)O1 CS-W021140 [0,1,0,1,0,0|1,0,1]=4 64 B9R2.39 O=C1NC2CCC1C2 CS-B1546 [0,0,0,2,0,0|1,0,0]=3