0 B7R0.7 CC#CC(=O)OCC CS-W009547 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.7 CCOC(=O)CNC CS-W020595 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.1 CC#CC(=O)OC CS-0066219 [1,0,0,0,0,0|0,0,2]=3 4 B6R0.1 CCOC(=O)C#N CS-0022374 [1,0,0,0,0,0|1,0,1]=3 5 B6R0.1 CCOC(=O)CO CS-W019892 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.1 CCO\C(O)=N\N CS-W008412 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 COC(=O)C#CBr CS-0043861 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.1 COC(=O)CCBr CS-W008728 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.1 COC(=O)\C=C\I CS-0042162 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.1 C(CBr)=CC(=O)OCC CS-W007837 [0,1,0,0,0,0|0,0,0]=1 11 B8R0.1 CCOC(=O)CCC#N CS-0094471 [0,1,0,0,0,0|0,0,3]=4 12 B8R0.1 CCOC(=O)CCCN CS-W010794 [0,1,0,0,0,0|0,0,2]=3 13 B8R0.1 CCOC(=O)\C=C\C=O CS-W020184 [0,1,0,0,0,0|0,0,1]=2 14 B8R0.3 C=C(CBr)C(=O)OCC CS-W015793 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.3 CCOC(=O)C(=O)CBr CS-W008597 [0,1,0,0,0,0|1,0,1]=3 16 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [0,1,0,0,0,0|0,0,1]=2 17 B8R0.3 CCOC(=O)C(Br)CBr CS-W012517 [0,1,0,0,0,0|1,0,2]=4 18 B8R0.3 CCOC(=O)[C@@H](N)CS CS-B1669 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.3 [C@H](N)(CO)C(=O)OCC CS-W017712 [0,1,0,0,0,0|1,0,2]=4 20 B8R0.5 CCC\C(C)=C\C(=O)O CS-0072967 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.5 CCOC(=O)CC(C)N CS-0030781 [0,1,0,0,0,0|0,0,2]=3 22 B8R0.5 CCOC(=O)C[C@@H](C)O CS-D1461 [0,1,0,0,0,0|0,0,2]=3 23 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS-0000037 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.4 CC1=CC(=O)NC=N1 CS-W001866 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.4 CC1=CC=CC(=O)N1 CS-W011283 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.18 CC1=CC(=O)OC1=O CS-0007668 [0,0,0,1,0,0|1,0,1]=3 28 B5R0.1 CC#CC(=O)O CS-W007936 [2,0,0,0,0,0|0,0,2]=4 29 B5R0.1 CC(=O)CCCl CS-W022162 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.1 CCOC(=N)N CS-W019160 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.1 CCOC(=S)[S-] CS-W020193 [2,0,0,0,0,0|1,1,0]=4 32 B5R0.1 CNCC(=O)O CS-W013507 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.1 COCC(=O)O CS-W020123 [2,0,0,0,0,0|1,0,1]=4 34 B5R0.1 O=C(O)\C=C\Br CS-0063842 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.2 C=C\C(O)=N\C(C)C CS-W011259 [1,1,0,0,0,0|1,0,1]=4 36 B7R0.2 COC(=O)CC(=O)O CS-W007829 [1,1,0,0,0,0|1,0,1]=4 37 B7R0.2 COC(=O)CC(=O)[O-] CS-M3561 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [1,1,0,0,0,0|0,0,2]=4 39 B7R0.3 COC(=O)CCCBr CS-W004701 [1,1,0,0,0,0|0,0,2]=4 40 B7R0.3 COC(=O)CCCCl CS-0001466 [1,1,0,0,0,0|0,0,2]=4 41 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [1,1,0,0,0,0|1,0,0]=3 42 B7R0.5 CCOC(=O)C(N)=S CS-M2164 [1,1,0,0,0,0|1,0,0]=3 43 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [1,1,0,0,0,0|0,0,1]=3 44 B7R0.10 C=C(CBr)C(=O)OC CS-W017298 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [1,1,0,0,0,0|0,0,2]=4 46 B7R0.10 COC(=O)C(=O)CBr CS-W008779 [1,1,0,0,0,0|1,0,1]=4 47 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [1,1,0,0,0,0|1,0,0]=3 48 B9R0.34 C(C(=O)OCC)=C(\C)C=O CS-W008241 [0,2,0,0,0,0|0,0,0]=2 49 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,2,0,0,0,0|1,0,1]=4 50 B9R0.34 CCOC(=O)CC(=O)CC CS-W019881 [0,2,0,0,0,0|0,0,1]=3 51 B9R0.34 CCOC(=O)CC(=O)CCl CS-D1440 [0,2,0,0,0,0|0,0,1]=3 52 B9R0.34 CCOC(=O)NC(=O)CCl CS-0093623 [0,2,0,0,0,0|1,0,0]=3 53 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,2,0,0,0,0|0,0,1]=3 54 B9R0.48 CCOC(=O)NCC(=O)O CS-0106586 [0,2,0,0,0,0|1,0,1]=4 55 B9R0.48 CCOC(=O)\C=C\N(C)C CS-0028335 [0,2,0,0,0,0|0,0,0]=2 56 B9R0.48 CCOC(=O)\C=C\N(C)C CS-W008982 [0,2,0,0,0,0|0,0,0]=2 57 B9R0.6 CCOC(=O)C(=O)C(C)Br CS-W006537 [0,2,0,0,0,0|0,0,1]=3 58 B9R0.6 CCOC(=O)C(C)C(C)=O CS-W004822 [0,2,0,0,0,0|0,0,1]=3 59 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O CS-W021073 [0,2,0,0,0,0|0,0,2]=4 60 B9R0.6 [C@@H](N)(C(=O)OCC)C(C)C CS-W008384 [0,2,0,0,0,0|0,0,2]=4 61 B9R0.23 CC(C)OC(=O)C(=O)CBr CS-M0667 [0,2,0,0,0,0|1,0,1]=4 62 B9R0.37 CCOC(=O)\C(C#N)=N\O CS-W020690 [0,2,0,0,0,0|1,0,1]=4 63 B9R0.44 CNNC(=O)OC(C)(C)C CS-W019664 [0,2,0,0,0,0|2,0,0]=4 64 B9R0.53 CC(C)OC(=O)OC(C)Cl CS-W021319 [0,2,0,0,0,0|1,0,1]=4 65 B7R1.1 COC1=CSC=C1 CS-W008023 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [1,0,0,1,0,0|1,0,1]=4 68 B7R1.3 O=C1COCCO1 CS-0031423 [1,0,0,1,0,0|1,0,1]=4 69 B7R1.3 OC1=NCCC=C1 CS-W006454 [1,0,0,1,0,0|1,0,1]=4 70 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.4 O=C1OCCC1O CS-W013699 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [1,0,0,1,0,0|1,0,1]=4 73 B9R1.73 CCOC(=O)C1CCC1 CS-D1706 [0,1,0,1,0,0|0,0,2]=4 74 B9R1.37 CC1=C(C)C(=O)OC1=O CS-W016566 [0,1,0,1,0,0|1,0,1]=4 75 B9R1.74 CCOC(=O)C1(Br)CC1 CS-W018973 [0,1,0,1,0,0|0,0,2]=4 76 B9R1.74 CCOC(=O)C1(N)CC1 CS-W008095 [0,1,0,1,0,0|0,0,2]=4 77 B9R1.34 CC1=CC(O)=CC(=O)O1 CS-W020045 [0,1,0,1,0,0|0,0,2]=4 78 B9R1.38 CC1(C)OC(=O)NC1=O CS-0013093 [0,1,0,1,0,0|2,0,0]=4