0 B6R0.1 CCOC(=N)CC CS-0047019 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.1 CNCC(=O)NC CS-0039124 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.1 COC(=O)CCO CS-0022864 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.1 C#CCC(=O)O CS-W004784 [1,0,0,0,0,0|0,0,2]=3 4 B5R0.1 CC(F)CCN CS-0104778 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.1 CCC[C@H](C)N CS-W006528 [1,0,0,0,0,0|1,0,1]=3 6 B5R0.1 CN(C)CCBr CS-W004693 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 COC[C@@H](C)N CS-W019198 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 C[C@H](N)CCO CS-W019851 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 C[C@H](O)CCO CS-W016671 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.2 CNCCCO CS-W007469 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.2 COCCNN CS-0035845 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.3 CO[C@H](C)CO CS-W011349 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.3 C=CC(=O)OCCBr CS-0106645 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.3 COC(=O)CCC#N CS-W009546 [0,1,0,0,0,0|0,0,1]=2 15 B7R0.3 COC(=O)CCCN CS-W019991 [0,1,0,0,0,0|0,0,0]=1 16 B7R0.5 CCOC(=O)C(=O)O CS-W018770 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.7 C(I)=CC(=O)OCC CS-W006336 [0,1,0,0,0,0|1,0,2]=4 18 B7R0.7 CCOC(=O)OCCl CS-W005334 [0,1,0,0,0,0|1,0,0]=2 19 B7R0.7 COCC(=O)COC CS-W007070 [0,1,0,0,0,0|1,0,0]=2 20 B7R0.10 CN[C@@H](C)C(=O)OC CS-0068182 [0,1,0,0,0,0|1,0,0]=2 21 B7R0.10 COC(=O)C(F)CO CS-0027052 [0,1,0,0,0,0|1,0,0]=2 22 B7R0.10 COC(=O)C(O)CN CS-0042395 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.11 CCS(=O)(=O)CCCl CS-0037285 [0,1,0,0,0,0|3,0,0]=4 25 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [0,0,0,1,0,0|1,0,2]=4 26 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,0,0,1,0,0|2,0,0]=3 27 B7R1.2 NC1CNC(=O)C1 CS-W023257 [0,0,0,1,0,0|2,0,0]=3 28 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.3 O=C1CCCSC1 CS-D0446 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.3 O=C1CCOCC1 CS-D0601 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.3 O=C1CNCCN1 CS-B0039 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.3 O=S1CCNCC1 CS-0043941 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.3 OC1CCCCO1 CS-0015921 [0,0,0,1,0,0|0,0,2]=3 34 B7R1.4 BrC1=C(Br)CCC1 CS-W013034 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.4 CN1CCNC1=O CS-W005507 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.4 C[C@H]1CCC[C@H]1N CS-0079949 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.4 C[C@H]1CCC[C@H]1O CS-0036366 [0,0,0,1,0,0|1,0,2]=4 38 B7R1.4 N[C@@H]1CCNC1=O CS-0094049 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.5 CCCC1ON1C CS-M0757 [0,0,0,1,0,0|1,0,2]=4 41 B7R1.10 CNC1CC(C)C1 CS-0036338 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.10 CO[C@H]1C[C@H](N)C1 CS-0045545 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.22 NNC(=O)C1CC1 CS-D0255 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.25 COC1(C)CNC1 CS-0035135 [0,0,0,1,0,0|2,0,1]=4 45 B4R0.1 COC(=N)N CS-0114088 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.1 NC(=O)CI CS-0020050 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.2 C=CCCN CS-0028781 [2,0,0,0,0,0|1,0,1]=4 48 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0015107 [1,1,0,0,0,0|0,0,2]=4 49 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [1,1,0,0,0,0|0,0,0]=2 50 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [1,1,0,0,0,0|1,0,0]=3 51 B6R0.4 CCCCC(=N)N CS-0046978 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.4 COCCC(=N)N CS-0046979 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.5 CCCS(N)(=O)=O CS-W022937 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.6 CC#CCCCO CS-0047308 [1,1,0,0,0,0|1,0,1]=4 55 B6R0.6 CNCCCCO CS-W006493 [1,1,0,0,0,0|1,0,1]=4 56 B8R0.2 COC(=O)C(C)C(C)=O CS-M0095 [0,2,0,0,0,0|0,0,1]=3 57 B8R0.5 CC(C)OC(=O)OCI CS-0070034 [0,2,0,0,0,0|1,0,0]=3 58 B8R0.5 COCC(=O)OC(C)C CS-M1127 [0,2,0,0,0,0|1,0,0]=3 59 B8R0.19 COC(=O)N[C@@H](C)CN CS-0010956 [0,2,0,0,0,0|1,0,0]=3 60 B8R0.24 COC(=O)CS(N)(=O)=O CS-0047196 [0,2,0,0,0,0|2,0,0]=4 61 B8R0.1 C#CCCC(=O)CCO CS-0038477 [0,2,0,0,0,0|1,0,1]=4 62 B8R0.1 CCOC(=O)CCCI CS-0029516 [0,2,0,0,0,0|0,0,0]=2 63 B8R0.6 COC(=O)CCCCBr CS-W022866 [0,2,0,0,0,0|0,0,0]=2 64 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [1,0,0,1,0,0|1,0,1]=4 65 B6R1.2 O=C1CCNC1 CS-W005267 [1,0,0,1,0,0|1,0,0]=3 66 B6R1.2 O=C1CCNN1 CS-W001151 [1,0,0,1,0,0|2,0,0]=4 67 B6R1.5 CC1CC(N)C1 CS-W006905 [1,0,0,1,0,0|1,0,1]=4 68 B6R1.11 N=C(N)C1CC1 CS-W022622 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.1 C=C[C@@H]1COC(=O)C1 CS-B0325 [0,1,0,1,0,0|0,0,1]=3 70 B8R1.1 COC1=CC(=O)CC1 CS-0040746 [0,1,0,1,0,0|1,0,1]=4 71 B8R1.1 O=C1CC[C@@H](CBr)N1 CS-B0460 [0,1,0,1,0,0|2,0,0]=4 72 B8R1.4 CC1CNCC(=O)N1 CS-0038083 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.4 C[C@H]1COCC(=O)N1 CS-W023097 [0,1,0,1,0,0|1,0,0]=3 74 B8R1.51 CC1(C)CNC(=O)C1 CS-M3328 [0,1,0,1,0,0|1,0,0]=3 75 B8R1.2 N#CC1CCCCO1 CS-0047273 [0,1,0,1,0,0|1,0,1]=4 76 B8R1.3 CC1=NNC(=O)CC1 CS-W011268 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.5 CN1CCNCC1=O CS-D0697 [0,1,0,1,0,0|1,0,0]=3 78 B8R1.5 NC1CCCCC1=O CS-0099232 [0,1,0,1,0,0|1,0,0]=3 79 B8R1.5 N[C@@H]1CCCNC1=O CS-0102181 [0,1,0,1,0,0|1,0,0]=3 80 B8R1.5 O=C1CCCCC1=O CS-W007347 [0,1,0,1,0,0|1,0,0]=3 81 B8R1.22 CC1CNCCCO1 CS-0038165 [0,1,0,1,0,0|1,0,1]=4 82 B8R1.22 O=C1CCCOCC1 CS-0037287 [0,1,0,1,0,0|1,0,0]=3 83 B8R1.22 O=C1CCOCCN1 CS-W021289 [0,1,0,1,0,0|1,0,0]=3 84 B8R1.19 CC1(C)CCNC1=O CS-0046646 [0,1,0,1,0,0|2,0,0]=4 85 B8R1.54 O=C(O)C(=O)C1CC1 CS-W006124 [0,1,0,1,0,0|2,0,0]=4 86 B8R1.8 COCC1CCCN1 CS-0036150 [0,1,0,1,0,0|1,0,1]=4 87 B8R1.8 COC[C@@H]1CCCN1 CS-W002057 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.11 CCN1CCNC1=O CS-0090841 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.39 COC(=O)C1(C)CO1 CS-0109314 [0,1,0,1,0,0|1,0,0]=3 90 B8R1.39 COC(=O)C1(N)CC1 CS-0044090 [0,1,0,1,0,0|0,0,0]=2 91 B8R1.39 COC(=O)C1(O)CC1 CS-W005559 [0,1,0,1,0,0|0,0,0]=2 92 B8R2.18 O=C1C[C@@H]2C[C@@H]2C1 CS-0036289 [0,0,0,2,0,0|1,0,0]=3