0 B6R0.2 CC(=O)\C=C(\C)N CS-0095595 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 CC(C)C[N+](=O)[O-] CS-0252339 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.2 CC(C)OC(=S)[S-] CS-0109042 [0,0,0,0,0,0|1,2,1]=4 3 B6R0.2 O=C(O)CC(F)F CS-0054587 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CN(C)CC=O CS-0114075 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.2 CC(C)OC(=O)CO CS-0154171 [0,1,0,0,0,0|1,0,1]=3 6 B7R0.2 COC(=O)CC(C)=O CS-0017265 [0,1,0,0,0,0|1,0,1]=3 7 B7R0.2 COC(=O)C[C@H](C)Br CS-0910358 [0,1,0,0,0,0|1,0,2]=4 8 B7R0.2 NC[C@@H](O)CC(=O)O CS-W023137 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.16 CC(C)=C(Br)N(C)C CS-0213511 [0,1,0,0,0,0|3,0,0]=4 10 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0031488 [0,1,0,0,0,0|1,0,2]=4 11 B7R1.2 CC1=CC(I)=NN1 CS-W021944 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.2 O=C1C=C(I)CC1 CS-0611577 [0,0,0,1,0,0|2,0,0]=3 13 B7R1.2 O=C1C=C(O)CO1 CS-W013716 [0,0,0,1,0,0|1,0,0]=2 14 B7R1.12 C[C@H]1C[C@H]1C(=O)O CS-0368383 [0,0,0,1,0,0|0,0,2]=3 15 B7R1.12 [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [0,0,0,1,0,0|0,0,2]=3 16 B5R0.5 CC(C)C(N)=S CS-W011304 [0,0,0,0,1,0|1,1,1]=4 17 B5R0.5 CC(O)C(=O)O CS-0021601 [0,0,0,0,1,0|1,0,1]=3 18 B5R0.5 C[C@@H](F)C(=O)O CS-0435455 [0,0,0,0,1,0|1,0,1]=3 19 B5R0.5 C[C@H](F)C(=O)O CS-0436042 [0,0,0,0,1,0|1,0,1]=3 20 B5R0.5 O=C(O)C(=O)O CS-0015711 [0,0,0,0,1,0|2,0,0]=3 21 B7R0.6 C[C@H](N)CCC(=O)O CS-0753666 [0,0,0,0,0,1|1,0,2]=4 22 B7R0.6 O=C(O)\C=C/C(=O)O CS-0015079 [0,0,0,0,0,1|2,0,0]=3 23 B4R0.1 C=CC(N)=O CS-0197970 [2,0,0,0,0,0|1,0,0]=3 24 B4R0.1 O=C(O)CO CS-W016683 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.1 COC(=O)CSC CS-W013574 [1,1,0,0,0,0|1,0,1]=4 26 B6R0.3 CC(=O)\C(C)=N\O CS-0015129 [1,1,0,0,0,0|2,0,0]=4 27 B6R0.3 CCC(Br)C(=O)O CS-W016049 [1,1,0,0,0,0|0,0,2]=4 28 B6R0.4 CC\C=C\[N+](=O)[O-] CS-0908789 [1,1,0,0,0,0|1,0,1]=4 29 B6R0.4 O=C(O)CCCF CS-0491783 [1,1,0,0,0,0|0,0,2]=4 30 B6R0.4 O=C(O)\C=C\CCl CS-0368704 [1,1,0,0,0,0|0,0,0]=2 31 B6R0.7 CC(C)(C)C(N)=O CS-W021470 [0,1,0,0,1,0|1,0,1]=4 32 B6R0.7 [2H][C@@](C)(N)C(=O)O CS-0201653 [0,1,0,0,1,0|1,0,1]=4 33 B8R0.9 O=C(O)CNC(=O)CBr CS-0147668 [0,1,0,0,0,1|1,0,1]=4 34 B8R0.23 CC(C)C[C@H](Br)C(=O)O CS-0134712 [0,1,0,0,0,1|0,0,2]=4 35 B8R0.29 CC(C)(C)CCC(=O)O CS-0440906 [0,1,0,0,0,1|0,0,2]=4 36 B8R0.29 CC(C)(F)CCC(=O)O CS-0867883 [0,1,0,0,0,1|0,0,2]=4 37 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CS-0029653 [0,2,0,0,0,0|0,0,2]=4 38 B8R0.34 CC(C)(CN)CC(=O)O CS-0016326 [0,2,0,0,0,0|0,0,2]=4 39 B8R0.34 CC(C)(CN)CC(=O)O CS-M3329 [0,2,0,0,0,0|0,0,2]=4 40 B8R0.27 [C@@H](O)(C(=O)O)C(C)(C)C CS-W005786 [0,2,0,0,0,0|0,0,2]=4 41 B8R0.37 CC(C)[C@](C)(N)C(=O)O CS-W013423 [0,2,0,0,0,0|0,0,2]=4 42 B6R1.2 CC1=CNC=C1 CS-W016682 [1,0,0,1,0,0|1,0,1]=4 43 B6R1.2 CC1=NSC=C1 CS-0340795 [1,0,0,1,0,0|1,1,0]=4 44 B6R1.4 CC1CCC1=O CS-0611562 [0,0,0,1,1,0|1,0,1]=4 45 B8R1.77 CC1(C)C[C@@H]1C(=O)O CS-W019469 [0,0,0,1,0,1|0,0,2]=4 46 B8R1.1 CC1=CC(CBr)=NO1 CS-0085258 [0,1,0,1,0,0|2,0,0]=4 47 B8R1.1 CC1=CC(CO)=NO1 CS-W013653 [0,1,0,1,0,0|2,0,0]=4 48 B8R1.1 CC1=CNC(C=O)=C1 CS-0152852 [0,1,0,1,0,0|1,0,1]=4 49 B8R1.1 CC1=COC(C=O)=C1 CS-0055543 [0,1,0,1,0,0|0,0,1]=3 50 B8R1.1 COC1=NOC(N)=C1 CS-0161109 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.1 O=C1OCC(CCl)O1 CS-0231732 [0,1,0,1,0,0|1,0,1]=4 52 B8R1.18 CC1OC(=O)OC1C CS-0511127 [0,1,0,1,0,0|1,0,1]=4 53 B8R1.34 O=C(O)CN1CCC1 CS-0254192 [0,1,0,1,0,0|1,0,1]=4 54 B8R1.42 NC1(CC(=O)O)CC1 CS-0308592 [0,1,0,1,0,0|0,0,2]=4 55 B8R1.67 C[C@H]1[C@@H](C)[C@@H]1C(=O)O CS-0614190 [0,1,0,1,0,0|0,0,2]=4 56 B8R1.50 CC1=C(C)C(O)=NN1 CS-0379563 [0,1,0,1,0,0|2,0,0]=4 57 B8R1.50 CC1=NOC(C)=C1Cl CS-0108453 [0,1,0,1,0,0|2,0,0]=4 58 B8R1.50 O=C1OCC(Br)=C1Br CS-0092876 [0,1,0,1,0,0|1,0,0]=3 59 B8R1.54 O=C(O)[C@@H](O)C1CC1 CS-0501765 [0,1,0,1,0,0|0,0,2]=4 60 B8R1.54 O=C(O)[C@H](O)C1CC1 CS-0747626 [0,1,0,1,0,0|0,0,2]=4 61 B8R0.28 CN(C)C\C=C/C(=O)O CS-0164231 [0,0,0,0,0,2|1,0,0]=3