0 B9R1.35 CC1=NN=C(C(=O)O)N1 PHBB_SC-08170 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 NC1=NN=C(C(=O)O)N1 PHBB_SC-12232 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 PHBB_SC-09597 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 O=C1C=C(C(=O)O)NN1 PHBB_SC-03106 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 O=C1CCC(C(=O)O)N1 PHBB_NC-00791 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.35 O=C1NN=C(C(=O)[O-])N1 PHBB_SC-11222 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.7 NC(=O)C1CCCN1 PHBB_NC-01767 [1,0,0,0,0,0|1,0,1]=3 7 B8R1.7 O=C(O)C1=CC=CN1 PHBB_SC-10263 [1,0,0,0,0,0|0,0,3]=4 8 B8R1.7 O=C(O)C1CCCO1 PHBB_SC-04940 [1,0,0,0,0,0|1,0,1]=3 9 B8R1.7 O=C(O)C1CSCN1 PHBB_NC-02234 [1,0,0,0,0,0|1,0,1]=3 10 B8R1.7 O=C(O)C1NCCS1 PHBB_SC-11671 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.58 CN1CC(C(=O)O)CC1=O PHBB_SC-12185 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 PHBB_SC-04388 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.8 CCCCC(Br)C(=O)O PHBB_SC-04834 [0,0,1,0,0,0|2,0,1]=4 14 B8R0.8 CCCCC(N)C(=O)O PHBB_SC-05891 [0,0,1,0,0,0|1,0,1]=3 15 B8R0.8 CSCCC(N)C(=O)O PHBB_NC-00807 [0,0,1,0,0,0|2,0,0]=3 16 B8R0.9 COC(=O)CCC(C)=O PHBB_SC-05206 [0,0,1,0,0,0|3,0,0]=4 17 B8R0.9 NCC(=O)NCC(=O)O PHBB_NC-03794 [0,0,1,0,0,0|1,0,0]=2 18 B8R0.9 O=C(O)CNC(=O)CCl PHBB_SC-06941 [0,0,1,0,0,0|1,0,0]=2 19 B8R0.23 CC(=O)NC(C)C(=O)O PHBB_NC-00218 [0,0,1,0,0,0|0,0,0]=1 20 B8R0.23 C[C@H](NC(N)=O)C(=O)O PHBB_NC-03091 [0,0,1,0,0,0|1,0,0]=2 21 B8R0.23 O=C(O)CC(S)C(=O)O PHBB_SC-05179 [0,0,1,0,0,0|3,0,0]=4 22 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O PHBB_NC-01974 [0,0,1,0,0,0|3,0,0]=4 23 B8R0.28 CN(C)CCCC(=O)O PHBB_SC-06113 [0,0,1,0,0,0|3,0,0]=4 24 B8R0.28 O=C(O)CNCC(=O)O PHBB_SC-09585 [0,0,1,0,0,0|2,0,0]=3 25 B8R1.23 O=C1CC(C(=O)O)C1 PHBB_SC-05459 [0,0,0,0,1,0|1,0,0]=2 26 B10R1.13 O=C1C=CC(C(=O)O)=CN1 PHBB_NC-02879 [0,0,0,0,0,1|0,0,3]=4 27 B10R1.13 O=C1C=CC(C(=O)O)=NN1 PHBB_SC-02292 [0,0,0,0,0,1|0,0,3]=4 28 B10R1.13 O=C1CCC(C(=O)O)=NN1 PHBB_SC-02293 [0,0,0,0,0,1|0,0,1]=2 29 B10R1.113 NC1CCCC(C(=O)O)C1 PHBB_SC-07087 [0,0,0,0,0,1|2,0,1]=4 30 B7R0.4 NCCCCC(=O)O PHBB_NC-02991 [1,0,1,0,0,0|0,0,1]=3 31 B7R0.6 CC(=O)CCC(=O)O PHBB_SC-00197 [1,0,1,0,0,0|1,0,0]=3 32 B7R0.6 CC(=O)CCC(C)=O PHBB_SC-08414 [1,0,1,0,0,0|2,0,0]=4 33 B7R1.1 OC[C@@H]1CCCN1 PHBB_SC-12126 [2,0,0,0,0,0|0,0,2]=4 34 B7R1.2 CC1CCC(=O)O1 PHBB_SC-05085 [2,0,0,0,0,0|1,0,1]=4 35 B7R1.2 O=C1CCC(=O)C1 PHBB_SC-04522 [2,0,0,0,0,0|1,0,1]=4 36 B7R1.2 O=C1CCC(=O)N1 PHBB_SC-04903 [2,0,0,0,0,0|0,0,1]=3 37 B7R1.2 O=C1CNC(=O)N1 PHBB_NC-02019 [2,0,0,0,0,0|1,0,1]=4 38 B7R1.2 O=C1CSC(=O)N1 PHBB_SC-04941 [2,0,0,0,0,0|1,0,1]=4 39 B9R0.7 O=C(O)CCC(=O)C(=O)O PHBB_NC-02047 [0,1,1,0,0,0|1,0,1]=4 40 B9R0.8 COC(=O)[C@@H](N)CCSC PHBB_NC-01590 [0,1,1,0,0,0|2,0,0]=4 41 B9R0.47 [C@@H](N)(CCCCN)C(=O)O PHBB_NC-01965 [0,1,1,0,0,0|1,0,1]=4 42 B9R0.47 [C@H](N)(CCNCC)C(=O)O PHBB_NC-01597 [0,1,1,0,0,0|1,0,1]=4 43 B9R0.48 CCOC(=O)CCC(C)=O PHBB_SC-04898 [0,1,1,0,0,0|2,0,0]=4 44 B9R0.48 COCC(=O)NCC(=O)O PHBB_SC-10397 [0,1,1,0,0,0|0,0,0]=2 45 B9R0.53 NN(CC(=O)O)CC(=O)O PHBB_SC-01692 [0,1,1,0,0,0|2,0,0]=4 46 B9R0.53 O=C(O)CC(=O)CC(=O)O PHBB_NC-02012 [0,1,1,0,0,0|1,0,1]=4 47 B9R1.11 CNC(=O)[C@@H]1CCCN1 PHBB_NC-03071 [1,1,0,0,0,0|1,0,1]=4 48 B9R1.11 COC(=O)[C@@H]1CCCN1 PHBB_NC-02940 [1,1,0,0,0,0|0,0,1]=3 49 B11R1.645 O=C(O)CC1NC(=O)NC1=O PHBB_NC-01482 [0,1,0,0,0,1|1,0,1]=4 50 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 PHBB_SC-05905 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.226 COC(=O)C1CC(=O)N(C)C1 PHBB_SC-10151 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.489 CC1(C)OC(=O)CC1C(=O)O PHBB_NC-01607 [0,2,0,0,0,0|2,0,0]=4 53 B9R1.6 O=C(O)C1CCCCN1 PHBB_SC-11307 [0,0,1,1,0,0|1,0,1]=4 54 B7R0.16 CC(=O)C(Cl)C(C)=O PHBB_SC-05194 [0,0,1,0,1,0|2,0,0]=4 55 B7R0.16 CC(C(=O)O)C(=O)O PHBB_SC-08329 [0,0,1,0,1,0|1,0,0]=3 56 B7R1.18 O=C(O)C1CCC1 PHBB_SC-04033 [1,0,0,0,1,0|0,0,1]=3 57 B7R1.18 O=C(O)C1CNC1 PHBB_SC-12123 [1,0,0,0,1,0|1,0,1]=4 58 B9R0.55 O=C(O)CCCCC(=O)O PHBB_SC-05131 [0,0,1,0,0,1|1,0,0]=3 59 B11R1.20 CC(=O)NC1CCC(=O)CC1 PHBB_SC-11330 [0,0,0,0,0,2|2,0,0]=4 60 B11R1.157 O=C(O)CN1CCNC(=O)C1 PHBB_SC-04328 [0,0,0,0,0,2|2,0,0]=4