0 B5R0.5 CC(C)C(N)=O CS-W019979 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.5 CC(N)C(=O)O CS-0022544 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.5 NC(=O)C(F)F CS-0109914 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.5 O=C([O-])C(=O)[O-] CS-W022571 [0,0,0,0,0,0|1,0,3]=4 5 B4R0.1 CC(=O)NN CS-D1403 [1,0,0,0,0,0|3,0,0]=4 6 B4R0.1 CC(N)CO CS-W018531 [1,0,0,0,0,0|1,0,1]=3 7 B4R0.1 CC(O)CBr CS-0063182 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.1 CCC(=N)O CS-W016688 [1,0,0,0,0,0|1,0,0]=2 9 B4R0.1 CC[C@H](C)N CS-0084847 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 COC(=N)N CS-W019574 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 CSC(=N)N CS-0011749 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.1 NCC(N)=O CS-W019695 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.3 CC(=O)\C(C)=N\O CS-0015129 [0,1,0,0,0,0|1,0,1]=3 14 B6R0.3 COC(=O)[C@@H](C)O CS-W016638 [0,1,0,0,0,0|0,0,0]=1 15 B6R0.3 COC(=O)[C@H](C)O CS-WAA0219 [0,1,0,0,0,0|0,0,0]=1 16 B6R0.3 COC(C)C(=O)O CS-W004806 [0,1,0,0,0,0|0,0,0]=1 17 B6R0.3 NC(=O)C(Br)CBr CS-0013982 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.7 CC(C)(C)C(N)=O CS-W021470 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.7 CC(C)(F)C(=O)O CS-0022383 [0,1,0,0,0,0|1,0,0]=2 20 B6R0.7 NC(=O)C(F)(F)F CS-W018487 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.7 O=C([O-])C(F)(F)F CS-W007333 [0,1,0,0,0,0|2,0,1]=4 22 B6R1.11 O=C(O)C1CC1 CS-W018339 [0,0,0,1,0,0|1,0,0]=2 23 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035190 [0,0,0,0,0,1|1,0,2]=4 24 B6R0.2 CC(=O)\C=C(\C)[O-] CS-W020773 [0,0,0,0,0,1|1,0,2]=4 25 B6R0.2 C\C(O)=N\C(=N)N CS-W007823 [0,0,0,0,0,1|2,0,1]=4 26 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,0,0,0,0,1|1,0,0]=2 27 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,0,0,0,0,1|1,0,0]=2 28 B3R0.1 CCCN CS-0079898 [2,0,0,0,0,0|1,0,1]=4 29 B3R0.2 CC(=O)O CS-W019776 [2,0,0,0,0,0|0,0,0]=2 30 B3R0.2 CC(=O)[O-] CS-0082496 [2,0,0,0,0,0|0,0,1]=3 31 B3R0.2 CC(=O)[O-] CS-0084525 [2,0,0,0,0,0|0,0,1]=3 32 B3R0.2 CC(=O)[O-] CS-W002072 [2,0,0,0,0,0|0,0,1]=3 33 B3R0.2 CC(=O)[O-] CS-W004700 [2,0,0,0,0,0|0,0,1]=3 34 B3R0.2 CC(=O)[O-] CS-W020594 [2,0,0,0,0,0|0,0,1]=3 35 B3R0.2 O=C([O-])[O-] CS-B1715 [2,0,0,0,0,0|0,0,2]=4 36 B3R0.2 O=C([O-])[O-] CS-W008901 [2,0,0,0,0,0|0,0,2]=4 37 B5R0.1 CC(=O)CCO CS-0044370 [1,1,0,0,0,0|1,0,0]=3 38 B5R0.1 CC(=O)\C=N\O CS-0047592 [1,1,0,0,0,0|0,0,2]=4 39 B5R0.1 CC(N)CCO CS-W004841 [1,1,0,0,0,0|1,0,1]=4 40 B5R0.1 CCOC(C)=N CS-W008601 [1,1,0,0,0,0|2,0,0]=4 41 B5R0.1 CNCC(=N)O CS-W011178 [1,1,0,0,0,0|1,0,0]=3 42 B5R0.1 COC[C@@H](C)O CS-0019059 [1,1,0,0,0,0|0,0,1]=3 43 B5R0.1 N#CCC(N)=O CS-0006665 [1,1,0,0,0,0|1,0,1]=4 44 B5R0.3 C=C(CO)CO CS-W009247 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.3 C=C[C@H](N)CO CS-0088065 [1,1,0,0,0,0|2,0,0]=4 46 B5R0.3 CC[C@@H](N)CO CS-W020734 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.3 CC[C@H](N)CO CS-W013745 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.3 CNC(=O)CBr CS-0023001 [1,1,0,0,0,0|2,0,0]=4 49 B5R0.3 CNC(=O)CCl CS-W007769 [1,1,0,0,0,0|2,0,0]=4 50 B5R0.3 COC(=O)CN CS-W018508 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.3 COC(=O)NN CS-0015902 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.3 NC(CO)CO CS-W007357 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.4 CC(C)(N)CO CS-W013743 [1,1,0,0,0,0|1,0,1]=4 54 B5R0.4 CC(C)(O)CN CS-W008799 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [0,1,0,0,0,1|1,0,0]=3 56 B7R0.2 COC(=O)\C=C(\C)N CS-W016602 [0,1,0,0,0,1|1,0,1]=4 57 B7R0.9 CC(C)(C)OC(N)=O CS-D1170 [0,1,0,0,0,1|2,0,0]=4 58 B7R0.9 O=C(O)CC(F)(F)F CS-0051640 [0,1,0,0,0,1|2,0,0]=4 59 B7R0.16 CC(C)[C@H](N)C(=N)O CS-W008135 [0,1,0,0,0,1|2,0,0]=4 60 B7R0.5 C#CC[C@H](N)C(=O)O CS-0101207 [0,2,0,0,0,0|1,0,0]=3 61 B7R0.5 CCOC(=O)C(C)Br CS-0009888 [0,2,0,0,0,0|1,0,0]=3 62 B7R0.5 NC(CCO)C(=O)O CS-W013586 [0,2,0,0,0,0|1,0,0]=3 63 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [0,2,0,0,0,0|0,0,0]=2 64 B7R0.5 [C@H](N)(CC=C)C(=O)O CS-W013622 [0,2,0,0,0,0|1,0,0]=3 65 B7R0.10 CC(=N/O)\C(C)=N\O CS-W013614 [0,2,0,0,0,0|1,0,1]=4 66 B7R0.10 CCC(Br)C(=O)OC CS-W017174 [0,2,0,0,0,0|1,0,0]=3 67 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [0,2,0,0,0,0|1,0,0]=3 68 B7R0.10 COC(=O)[C@@H](N)CO CS-B1301 [0,2,0,0,0,0|1,0,0]=3 69 B7R0.10 COC(=O)[C@H](N)CCl CS-W017536 [0,2,0,0,0,0|1,0,0]=3 70 B7R0.13 C#CC(C)(C)C(=O)O CS-W018866 [0,2,0,0,0,0|1,0,0]=3 71 B7R0.13 CC(C)(CN)C(N)=O CS-W003343 [0,2,0,0,0,0|2,0,0]=4 72 B7R0.13 CC(C)(CO)C(=O)O CS-W011224 [0,2,0,0,0,0|0,0,0]=2 73 B5R1.3 ClC[C@@H]1CO1 CS-0015935 [1,0,0,1,0,0|1,0,1]=4 74 B7R1.2 CC1=CC(O)=NO1 CS-W011330 [0,0,0,1,0,1|1,0,1]=4 75 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,0,0,1,0,1|1,0,0]=3 76 B7R1.12 O=C(O)C1CC1F CS-W006378 [0,0,0,1,0,1|1,0,0]=3 77 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [0,0,0,1,0,1|1,0,0]=3 78 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [0,0,0,1,0,1|1,0,0]=3 79 B7R1.4 NC1CCNC1=O CS-0113495 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,1,0,1,0,0|1,0,0]=3 81 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,1,0,1,0,0|1,0,0]=3 82 B7R1.18 O=C(O)C1CNC1 CS-W019846 [0,1,0,1,0,0|1,0,0]=3 83 B7R1.18 O=C(O)C1COC1 CS-B1344 [0,1,0,1,0,0|0,0,0]=2 84 B7R0.6 CN(C)CCC(=O)O CS-W007826 [0,0,0,0,0,2|2,0,0]=4