0 B9R1.35 O=C(O)C1=NC(O)=NN1 BB_SC-10126 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 BB_SC-09426 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.35 O=C1CCC(C(=O)O)N1 BB_NC-00504 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.7 NC(=O)C1CCCN1 BB_NC-01913 [1,0,0,0,0,0|1,0,0]=2 4 B8R1.7 O=C(O)C1CCCO1 BB_SC-06862 [1,0,0,0,0,0|1,0,0]=2 5 B8R1.7 O=C(O)C1CSCN1 BB_NC-00047 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.7 O=C(O)C1NCCS1 BB_SC-11907 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 BB_SC-06164 [0,1,0,0,0,0|2,0,1]=4 8 B8R0.8 CCCCC(Br)C(=O)O BB_SC-06728 [0,0,1,0,0,0|3,0,0]=4 9 B8R0.8 CCCCC(N)C(=O)O BB_SC-08743 [0,0,1,0,0,0|3,0,0]=4 10 B8R0.9 NCC(=O)NCC(=O)O BB_NC-03236 [0,0,1,0,0,0|1,0,2]=4 11 B8R0.23 CC(C)C[C@H](N)C(N)=O BB_NC-02379 [0,0,1,0,0,0|2,0,0]=3 12 B8R0.23 O=C(O)CC(S)C(=O)O BB_SC-07196 [0,0,1,0,0,0|2,0,1]=4 13 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O BB_NC-02214 [0,0,1,0,0,0|1,0,1]=3 14 B8R0.28 CC(C)CNCC(C)O BB_SC-01141 [0,0,1,0,0,0|2,0,1]=4 15 B8R0.28 CC(O)CNCC(C)O BB_SC-07219 [0,0,1,0,0,0|1,0,1]=3 16 B8R0.28 CN(C)CCCC(=O)O BB_SC-09188 [0,0,1,0,0,0|3,0,0]=4 17 B8R0.28 O=C(O)CNCC(=O)O BB_SC-09398 [0,0,1,0,0,0|1,0,1]=3 18 B8R1.23 O=C1CC(C(=O)O)C1 BB_SC-07711 [0,0,0,0,1,0|0,0,2]=3 19 B10R1.113 NC1CCCC(C(=O)O)C1 BB_SC-02645 [0,0,0,0,0,1|2,0,0]=3 20 B7R0.4 CCCCCC(C)=O BB_SC-06722 [1,0,1,0,0,0|2,0,0]=4 21 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [1,0,1,0,0,0|1,0,1]=4 22 B7R0.4 NCCCCC(=O)O BB_NC-02189 [1,0,1,0,0,0|0,0,0]=2 23 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [1,0,1,0,0,0|0,0,2]=4 24 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [1,0,1,0,0,0|2,0,0]=4 25 B7R1.1 OC[C@@H]1CCCN1 BB_SC-12416 [2,0,0,0,0,0|0,0,1]=3 26 B9R0.42 CC(NC(=O)CN)C(=O)O BB_NC-01486 [0,1,1,0,0,0|1,0,1]=4 27 B9R0.39 CNC(CC(=O)O)C(=O)O BB_NC-01943 [0,1,1,0,0,0|0,0,1]=3 28 B9R0.53 NN(CC(=O)O)CC(=O)O BB_SC-02560 [0,1,1,0,0,0|1,0,1]=4 29 B9R1.11 CNC(=O)[C@@H]1CCCN1 BB_NC-02418 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.11 COC(=O)[C@@H]1CCCN1 BB_NC-02036 [1,1,0,0,0,0|0,0,0]=2 31 B9R1.11 NNC(=O)C1CCCO1 BB_SC-06202 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.11 N\C(=N/O)C1CCCC1 BB_SC-12305 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.730 CC1(C)CC(C(=O)O)CCO1 BB_NC-00410 [0,1,0,0,0,1|2,0,0]=4 34 B9R1.6 NC(=O)C1CCCCN1 BB_SC-07848 [0,0,1,1,0,0|2,0,0]=4 35 B9R1.6 O=C(O)C1CCCCN1 BB_SC-11513 [0,0,1,1,0,0|1,0,0]=3 36 B9R1.6 O=C(O)C1CCCNC1 BB_SC-07266 [0,0,1,1,0,0|2,0,0]=4 37 B7R0.16 CC(C)C(Br)C(=O)O BB_SC-00176 [0,0,1,0,1,0|2,0,0]=4 38 B7R0.16 CC(O)C(N)C(=O)O BB_SC-09459 [0,0,1,0,1,0|0,0,0]=2 39 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BB_NC-03162 [0,0,1,0,1,0|0,0,0]=2 40 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [1,0,0,0,1,0|0,0,0]=2 41 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [1,0,0,0,1,0|1,0,0]=3 42 B9R1.13 O=C(O)CN1CCCC1 BB_SC-04947 [1,0,0,0,0,1|2,0,0]=4