0 B6R0.3 CCC(Br)C(=O)O CS-W016049 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [0,0,0,0,0,0|0,0,0]=0 2 B5R0.1 CCC[C@@H](C)O CS-0198768 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.3 CC[C@@H](C)CO CS-0616929 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.3 N[C@@H](CO)CF CS-0567197 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.3 N[C@H](CO)CF CS-0312195 [1,0,0,0,0,0|1,0,1]=3 6 B5R0.3 OCC(Cl)CCl CS-0128320 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.3 OC[C@H](O)CF CS-0022569 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.5 CC(C)C(N)=S CS-W011304 [1,0,0,0,0,0|2,1,0]=4 9 B5R0.5 CC(O)C(=O)O CS-0021601 [1,0,0,0,0,0|1,0,0]=2 10 B5R0.5 C[C@@H](F)C(=O)O CS-0435455 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.5 C[C@@H](N)[C@@H](C)O CS-0133760 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.5 C[C@H](F)C(=O)O CS-0436042 [1,0,0,0,0,0|1,0,0]=2 13 B5R0.5 O=C(O)C(=O)O CS-0015711 [1,0,0,0,0,0|1,1,1]=4 14 B7R0.5 C#CCC(O)C(=O)O CS-0237172 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.5 C#CC[C@@H](N)C(=O)O CS-0158576 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.5 N[C@H](CCS)C(=O)O CS-M1780 [0,1,0,0,0,0|0,0,0]=1 17 B7R0.10 CCC(O)C(=O)OC CS-0469790 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.10 CCC(O)C(=O)O[Na] CS-W013506 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.10 COC(=O)C(Br)CBr CS-0187461 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.10 COC(=O)C(Cl)CCl CS-W017982 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.10 COC(=O)C(N)CCl CS-0150915 [0,1,0,0,0,0|1,0,0]=2 22 B7R0.10 O[C@@H](CS)[C@@H](O)CS CS-0092112 [0,1,0,0,0,0|1,1,1]=4 23 B7R0.13 NCC(F)(F)C(=O)O CS-0089610 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.15 CCC(CC)C(=O)O CS-W004154 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.15 CC[C@@H](CN)C(=O)O CS-0781938 [0,1,0,0,0,0|1,0,0]=2 26 B7R0.15 C\C=C(\CC)C(=O)O CS-0825044 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.15 O=C(O)C(CS)CS CS-M3522 [0,1,0,0,0,0|1,0,0]=2 28 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0031488 [0,1,0,0,0,0|0,1,0]=2 29 B7R1.4 C=C1COCC1N CS-0434887 [0,0,0,1,0,0|2,1,0]=4 30 B7R1.4 C[C@H]1OCC[C@H]1N CS-0038438 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.4 N[C@@H]1COC[C@@H]1O CS-0139374 [0,0,0,1,0,0|1,1,1]=4 32 B7R1.4 N[C@H]1COC[C@H]1O CS-0053228 [0,0,0,1,0,0|1,1,1]=4 33 B7R1.4 O=C1NCCC1F CS-0467788 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.12 C[C@H]1C[C@H]1C(=O)O CS-0368383 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.12 [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [0,0,0,1,0,0|2,0,0]=3 36 B7R0.2 NC[C@@H](O)CC(=O)O CS-W023137 [0,0,0,0,0,1|2,0,0]=3 37 B4R0.1 C#C[C@@H](C)N CS-0147129 [2,0,0,0,0,0|1,0,1]=4 38 B4R0.1 C[C@H](N)C#N CS-0224553 [2,0,0,0,0,0|1,0,1]=4 39 B4R0.1 NC(=O)CCl CS-W011345 [2,0,0,0,0,0|1,0,1]=4 40 B4R0.1 O=C(O)CO CS-W016683 [2,0,0,0,0,0|0,1,0]=3 41 B6R0.1 COC(=O)CSC CS-W013574 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.2 O=C(O)CC(F)F CS-0054587 [1,1,0,0,0,0|1,0,0]=3 43 B6R0.4 CSCCC(C)O CS-0242060 [1,1,0,0,0,0|1,0,1]=4 44 B6R0.4 O=C(O)CCCF CS-0491783 [1,1,0,0,0,0|1,0,0]=3 45 B6R0.4 O=C(O)\C=C\CCl CS-0368704 [1,1,0,0,0,0|1,0,1]=4 46 B6R0.5 O=S(=O)(O)CCO CS-W018254 [1,1,0,0,0,0|1,1,0]=4 47 B6R0.9 CNC(CO)CO CS-0653184 [1,1,0,0,0,0|0,1,1]=4 48 B6R0.7 CC(C)(C)C(N)=O CS-W021470 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.7 O=C(O)C(F)(F)F CS-0184176 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.7 [2H][C@@](C)(N)C(=O)O CS-0201653 [1,1,0,0,0,0|0,0,0]=2 51 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CS-0029653 [0,1,0,0,0,1|2,0,0]=4 52 B8R0.34 CC(C)(CN)CC(=O)O CS-0016326 [0,1,0,0,0,1|2,0,0]=4 53 B8R0.34 CC(C)(CN)CC(=O)O CS-M3329 [0,1,0,0,0,1|2,0,0]=4 54 B8R0.34 CCC(F)(F)CC(=O)O CS-0633857 [0,1,0,0,0,1|2,0,0]=4 55 B8R0.3 C=CCC(N)C(=O)OC CS-0158009 [0,2,0,0,0,0|1,0,0]=3 56 B8R0.3 CCOC(=O)C(O)CCl CS-0811151 [0,2,0,0,0,0|2,0,0]=4 57 B8R0.3 COC(=O)[C@@H](O)CCN CS-0611326 [0,2,0,0,0,0|2,0,0]=4 58 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O CS-0447698 [0,2,0,0,0,0|1,0,0]=3 59 B8R0.12 C#CCC(C)(C)C(=O)O CS-0158547 [0,2,0,0,0,0|2,0,0]=4 60 B8R0.12 C=CC[C@@](C)(N)C(=O)O CS-0089885 [0,2,0,0,0,0|1,0,0]=3 61 B8R0.15 COC(CCN)C(=O)O CS-0344933 [0,2,0,0,0,0|2,0,0]=4 62 B8R0.37 CC(C)[C@](C)(N)C(=O)O CS-W013423 [0,2,0,0,0,0|1,0,0]=3 63 B8R0.27 N[C@H](C(=O)O)C(F)(F)F CS-1177370 [0,2,0,0,0,0|1,0,0]=3 64 B8R0.27 [C@@H](O)(C(=O)O)C(C)(C)C CS-W005786 [0,2,0,0,0,0|2,0,0]=4 65 B6R1.2 O=C1CCCS1 CS-0120136 [1,0,0,1,0,0|1,1,0]=4 66 B6R1.4 CC1CCC1=O CS-0611562 [1,0,0,1,0,0|2,0,0]=4 67 B6R1.4 N[C@@H]1CC[C@@H]1O CS-0184482 [1,0,0,1,0,0|1,0,1]=4 68 B6R1.4 N[C@@H]1CNC1=O CS-0185261 [1,0,0,1,0,0|1,0,0]=3 69 B6R1.4 N[C@H]1CNC1=O CS-0053270 [1,0,0,1,0,0|1,0,0]=3 70 B6R1.6 OC[C@H]1CCN1 CS-0053482 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.1 O=C1OCC(CCl)O1 CS-0231732 [0,0,0,1,0,1|2,0,0]=4 72 B8R1.18 CC1OC(=O)OC1C CS-0511127 [0,0,0,1,0,1|2,0,0]=4 73 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O CS-0160090 [0,0,0,1,0,1|2,0,0]=4 74 B8R1.42 NC1(CC(=O)O)CC1 CS-0308592 [0,0,0,1,0,1|1,0,0]=3 75 B8R1.67 C[C@H]1[C@@H](C)[C@@H]1C(=O)O CS-0614190 [0,0,0,1,0,1|2,0,0]=4 76 B8R1.54 O=C(O)[C@@H](O)C1CC1 CS-0501765 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.54 O=C(O)[C@H](O)C1CC1 CS-0747626 [0,1,0,1,0,0|2,0,0]=4 78 B8R1.11 N#CC1CSCC1=O CS-W016559 [0,1,0,1,0,0|1,0,1]=4 79 B8R1.39 CNC(=O)C1(N)CC1 CS-0288212 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.50 CN1CC[C@@H](N)C1=O CS-0435485 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.63 O=C(O)C1(CF)CC1 CS-0094850 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.77 CC1(C)C[C@@H]1C(=O)O CS-W019469 [0,1,0,1,0,0|2,0,0]=4 83 B8R0.9 NC[C@@H](N)CCC(=O)O CS-0539323 [0,0,0,0,0,2|1,0,0]=3