0 B7R0.9 CC(C)CS(=O)(=O)N Z734461478 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.9 CC(C)NS(=O)(=O)C Z53825073 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.2 CC(=CC(=O)O)C Z104480144 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.2 CC(C)CB(O)O Z1098324138 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.2 CC(C)CC(=O)N Z33546511 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.2 CC(C)CC(=O)O Z104474910 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.2 CC(C)NC(=O)N Z56887677 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.2 CC(N)CC(=O)O Z147647144 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.2 CN(C)CC(=O)O Z235580496 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.5 CCOS(=O)(=O)N Z2751120716 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.5 N#CCP(=O)(O)O Z3025383580 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.27 CC(O)C(O)P(=O)(O)O Z2050515563 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [0,0,0,0,1,0|2,0,1]=4 15 B5R0.1 CC(C)CCO Z104473558 [2,0,0,0,0,0|2,0,0]=4 16 B5R0.1 CC(C)NC=O Z1201617634 [2,0,0,0,0,0|2,0,0]=4 17 B5R0.1 CCCC(=O)O Z104495380 [2,0,0,0,0,0|2,0,0]=4 18 B5R0.1 CCOC(=O)N Z33546369 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.2 CC(C)NC(=O)CO Z431952044 [1,1,0,0,0,0|2,0,0]=4 20 B7R0.2 CC(C)OC(=O)CN Z1245635749 [1,1,0,0,0,0|2,0,0]=4 21 B7R0.2 CC(CN)CC(=O)O Z1436472873 [1,1,0,0,0,0|2,0,0]=4 22 B7R0.2 CCC(C)CC(=O)O Z352782882 [1,1,0,0,0,0|2,0,0]=4 23 B7R0.2 COC(C)CC(=O)O Z431536426 [1,1,0,0,0,0|2,0,0]=4 24 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [1,1,0,0,0,0|2,0,0]=4 25 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [1,1,0,0,0,0|2,0,0]=4 26 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [1,1,0,0,0,0|2,0,0]=4 27 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [1,1,0,0,0,0|2,0,0]=4 28 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [1,1,0,0,0,0|2,0,0]=4 29 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [1,1,0,0,0,0|2,0,0]=4 30 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [1,1,0,0,0,0|2,0,0]=4 31 B7R0.17 CC(C)(N)P(=O)(O)O Z57033887 [0,1,0,0,1,0|0,0,0]=2 32 B9R0.49 CC(C)(C)C(N)P(=O)(O)O Z56872271 [0,2,0,0,0,0|1,0,0]=3 33 B7R1.2 CC1CCC(=O)O1 Z963595138 [1,0,0,1,0,0|2,0,0]=4 34 B7R1.2 CC1CNC(=O)O1 Z1198149952 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.20 O=C(O)CC1CC1 Z234893653 [1,0,0,1,0,0|2,0,0]=4 38 B5R0.5 CC(Br)C(=O)O Z57127555 [1,0,0,0,1,0|2,0,0]=4 39 B5R0.5 CC(C)C(=O)N Z57046209 [1,0,0,0,1,0|2,0,0]=4 40 B5R0.5 CC(C)C(=O)O Z104473380 [1,0,0,0,1,0|1,0,0]=3 41 B5R0.5 CC(C)[N+](=O)[O-] Z104474978 [1,0,0,0,1,0|0,1,1]=4 42 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,0,0,0,1,0|2,0,0]=4 43 B5R0.5 CC(N)C(=O)O Z57396987 [1,0,0,0,1,0|2,0,0]=4 44 B5R0.5 CC(S)C(=O)O Z104477082 [1,0,0,0,1,0|2,0,0]=4 45 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,0,0,0,1,0|2,0,0]=4 46 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,0,0,0,1,0|2,0,0]=4 47 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [1,0,0,0,0,1|2,0,0]=4 48 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,0,0,0,0,1|2,0,0]=4 49 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,0,0,0,0,1|2,0,0]=4 50 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,0,0,0,0,1|1,0,0]=3 51 B7R0.6 CC(C)SCC(=O)O Z214812600 [1,0,0,0,0,1|1,1,0]=4