0  B13R1.45  O=C(O)CNC(=O)C1=CC=CN=C1 BB52-0617 [1,0,0,0,0,0|2,0,0]=3
1  B13R1.45  O=C(O)CNC(=O)C1=CC=NC=C1 BB53-0208 [1,0,0,0,0,0|2,0,0]=3
2  B13R1.45  O=C(O)CNC(=O)C1=CN=CC=N1 BB53-0233 [1,0,0,0,0,0|3,0,0]=4
3  B13R1.45  O=C(O)CNC(=O)C1=NC=CC=C1 BB53-0717 [1,0,0,0,0,0|2,0,0]=3
4  B15R2.6  O=C(O)CCC1=NN=C2C=CC=CN21 BB52-0907 [0,0,0,1,0,0|3,0,0]=4
5  B15R2.6  O=C(O)CCN1CCC2=CC=CC=C21 BB53-0132 [0,0,0,1,0,0|3,0,0]=4
6  B15R2.629  CC1=C(CC(=O)O)SC2=CC=CC=C21 BB52-8279 [0,0,0,1,0,0|1,1,1]=4
7  B15R2.629  O=C(O)CN1SC2=CC=CC=C2C1=O BB51-1164 [0,0,0,1,0,0|1,1,0]=3
8  B13R1.168  CC1=C(C(=O)NCC(=O)O)SC=C1 BB52-9281 [0,0,0,0,1,0|3,0,0]=4
9  B13R1.201  NC(CC(=O)O)C1=CC=CC=C1F BB52-3340 [0,0,0,0,1,0|2,0,1]=4
10  B12R1.252  O=C(O)CCSC1=NC=CC=C1 BB53-1033 [2,0,0,0,0,0|2,0,0]=4
11  B14R1.415  C[C@H](NC(=O)C1=CC=CN=C1)C(=O)O BB52-0583 [1,1,0,0,0,0|2,0,0]=4
12  B14R1.678  CC1=NC=C(C(=O)NCC(=O)O)C=C1 BB52-9900 [1,1,0,0,0,0|2,0,0]=4
13  B14R1.4526  O=C(O)CCC(=O)NCC1=CC=CO1 BB53-0074 [0,0,1,1,0,0|1,0,1]=4
14  B16R2.3989  O=C(O)CC1NC2=CC=CC=C2NC1=O BB52-0992 [0,0,0,1,0,1|1,0,0]=3
15  B16R2.3989  O=C(O)CC1OC2=CC=CC=C2NC1=O BB51-1052 [0,0,0,1,0,1|0,0,0]=2
16  B16R2.3989  O=C(O)CC1SC2=CC=CC=C2NC1=O BB51-0153 [0,0,0,1,0,1|0,1,0]=3
17  B16R2.3270  O=C(O)C1CSC(C2=CC=CC=C2O)N1 BB52-0846 [0,0,0,1,0,1|1,0,1]=4
18  B16R2.3356  O=C(O)CCN1CC2=C(C=CC=C2)C1=O BB52-0756 [0,0,0,1,0,1|1,0,0]=3
19  B16R2.3356  O=C(O)CCN1SC2=CC=CC=C2C1=O BB52-0955 [0,0,0,1,0,1|0,1,0]=3
20  B16R2.83538  O=C(O)CN1C=NC2=CC=CC=C2C1=O BB52-0778 [0,1,0,1,0,0|2,0,0]=4
21  B16R2.83538  O=C(O)CN1N=NC2=CC=CC=C2C1=O BB52-0772 [0,1,0,1,0,0|2,0,0]=4
22  B16R2.3355  CC(C(=O)O)N1SC2=CC=CC=C2C1=O BB51-1165 [0,1,0,1,0,0|1,1,0]=4
23  B16R2.3355  C[C@@H](C(=O)O)N1CC2=CC=CC=C2C1=O BB52-0588 [0,1,0,1,0,0|2,0,0]=4
24  B16R2.4003  O=C(O)CCC1C(=O)NC2=C1C=CC=C2 BB52-0647 [0,1,0,1,0,0|1,0,1]=4
25  B12R1.54  O=C(O)CCC(=O)N1C=CN=C1 BB52-9283 [1,0,0,0,1,0|2,0,0]=4
26  B14R1.420  O=C(O)CCNC(=O)C1=CC=NC=C1 BB53-0917 [1,0,0,0,0,1|1,0,0]=3
27  B14R1.420  O=C(O)CCNC(=O)C1=CN=CC=C1 BB53-1088 [1,0,0,0,0,1|1,0,0]=3
28  B14R1.420  O=C(O)CCNC(=O)C1=CN=CC=N1 BB52-9623 [1,0,0,0,0,1|2,0,0]=4
29  B14R1.420  O=C(O)CCNC(=O)C1=NC=CC=C1 BB53-1066 [1,0,0,0,0,1|1,0,0]=3
30  B14R1.4488  CC1=C(C(=O)NCCC(=O)O)SC=C1 BB53-0226 [0,0,0,0,1,1|2,0,0]=4