0 B6R0.8 C=C[C@@](C)(N)CO D75096 [1,0,0,0,0,0|1,0,1]=3 1 B6R0.8 CC(C)(CO)CF AT13782 [1,0,0,0,0,0|2,0,0]=3 2 B6R0.8 CCC(F)(F)CO C90212 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.8 C[C@@](N)(C#N)CO D75095 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.9 NCC(CO)CO AT26702 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.10 OCC(CO)(CO)[13CH2]O D98096 [0,1,0,0,0,0|1,0,0]=2 6 B8R1.52 CC[C@]1(O)CCOC1 69115 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.52 C[C@]1(CBr)CCOC1 P13014 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.52 C[C@]1(CO)CCOC1 D96840 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.52 C[C@]1(CO)CCOC1 D96841 [0,0,0,1,0,0|2,0,0]=3 10 B8R1.52 N#C[C@]1(N)CCOC1 AC1739 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.52 OC[C@]1(F)CCOC1 AT22083 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.60 CCC1(CO)CCC1 AT26658 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.60 OCC1(CF)CCC1 AT19768 [0,0,0,1,0,0|3,0,0]=4 14 B5R0.3 C#C[C@@H](N)CO F30989 [2,0,0,0,0,0|1,0,1]=4 15 B5R0.3 CC[C@H](N)CF AC5314 [2,0,0,0,0,0|2,0,0]=4 16 B5R0.3 CC[C@H](O)CN D72871 [2,0,0,0,0,0|2,0,0]=4 17 B5R0.3 C[C@@H](CN)CO 70250 [2,0,0,0,0,0|1,0,0]=3 18 B5R0.3 NC[C@H](F)CO AT21905 [2,0,0,0,0,0|2,0,0]=4 19 B5R0.3 NC[C@H](N)CO D75091 [2,0,0,0,0,0|1,0,0]=3 20 B5R0.3 NC[C@H](N)CO D75092 [2,0,0,0,0,0|1,0,0]=3 21 B5R0.3 N[C@@H](CO)CF D75094 [2,0,0,0,0,0|1,0,0]=3 22 B5R0.3 OC[C@H](O)CF AT22386 [2,0,0,0,0,0|1,0,0]=3 23 B5R0.4 CC(C)(F)CN F53132 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.11 C#CCC(C)(C)CO D77144 [1,1,0,0,0,0|2,0,0]=4 25 B7R0.11 CC(C)(CO)CCN AT20761 [1,1,0,0,0,0|2,0,0]=4 26 B7R0.11 CCCC(C)(C)CO A10859 [1,1,0,0,0,0|2,0,0]=4 27 B7R0.11 COCC(F)(F)CO AT12478 [1,1,0,0,0,0|2,0,0]=4 28 B7R0.11 OCCC(F)(F)CO AT12562 [1,1,0,0,0,0|2,0,0]=4 29 B7R0.13 C[C@](N)(CS)C(=O)O 70246 [1,1,0,0,0,0|0,1,1]=4 30 B7R0.13 C[C@](O)(CO)C(=O)O A10743 [1,1,0,0,0,0|1,0,1]=4 31 B7R0.15 NC[C@@H](CO)C(=O)O C91703 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.15 NC[C@@H](CO)C(=O)O FD10303 [1,1,0,0,0,0|1,0,1]=4 33 B9R0.74 CC[C@](N)(COC)C(=O)O AT12805 [0,2,0,0,0,0|1,0,1]=4 34 B7R1.14 C[C@]1(N)CCNC1 F13099 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.14 C[C@]1(N)CCNC1 F14416 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.25 C[C@]1(CO)CCN1 P12582 [1,0,0,1,0,0|1,0,0]=3 37 B7R1.25 NC1(CF)COC1 AT13341 [1,0,0,1,0,0|1,0,0]=3 38 B7R1.25 NC1(CO)COC1 AT13393 [1,0,0,1,0,0|0,0,0]=2 39 B7R1.25 NCC1(N)CCC1 O10312 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.25 NCC1(N)COC1 E73118 [1,0,0,1,0,0|1,0,0]=3 41 B7R1.25 OCC1(O)CNC1 D86070 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.25 OCC1(O)CNC1 P14053 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.1 OC[C@H]1CCON1 AT14857 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.8 NC[C@H]1CC[C@@H]1O AT20432 [1,0,0,1,0,0|2,0,0]=4 45 B7R1.8 OC[C@@H]1CC[C@@H]1O P19439 [1,0,0,1,0,0|1,0,0]=3 46 B9R1.118 C[C@]1(CO)COCCN1 D85987 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.118 OC[C@]1(F)CCCOC1 P14342 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.175 COCC1(CO)COC1 D75849 [0,1,0,1,0,0|1,0,0]=3 49 B9R1.175 NCC1(CCO)COC1 D75928 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.205 OCC1(CO)CC1(F)F P14055 [0,1,0,1,0,0|2,0,0]=4 51 B9R2.173 C1C[C@@]2(CCOC2)N1 E72929 [0,0,0,2,0,0|2,0,0]=4