0  B9R1.23  CCC1CC(C(=O)N1)C Molport-023-195-097 [0,0,0,0,0,0|2,0,1]=3
1  B9R1.23  C[C@@H]1C[C@@H](NC1=O)CO Molport-047-637-300 [0,0,0,0,0,0|3,0,1]=4
2  B9R1.23  C[C@H]1C[C@@H](NC1=O)CO Molport-047-637-328 [0,0,0,0,0,0|3,0,1]=4
3  B8R1.1  CCC1CC(=O)CO1 Molport-042-623-348 [1,0,0,0,0,0|2,1,0]=4
4  B8R1.1  CCC1CC(CN1)C Molport-020-168-630 [1,0,0,0,0,0|1,0,2]=4
5  B8R1.1  CCC1CC(CN1)C Molport-051-784-281 [1,0,0,0,0,0|1,0,2]=4
6  B8R1.1  CCC1CCC(=O)C1 Molport-011-284-955 [1,0,0,0,0,0|3,0,0]=4
7  B8R1.1  CCC1CCC(=O)O1 Molport-001-769-670 [1,0,0,0,0,0|3,0,0]=4
8  B8R1.1  CCC1OCC(O1)C Molport-006-116-142 [1,0,0,0,0,0|1,1,1]=4
9  B8R1.1  CC[C@@H]1CCC(=O)C1 Molport-047-932-154 [1,0,0,0,0,0|3,0,0]=4
10  B8R1.1  CC[C@@H]1CC[C@@H](N1)C Molport-047-358-824 [1,0,0,0,0,0|1,0,2]=4
11  B8R1.1  CC[C@H]1CCC(=O)C1 Molport-047-932-155 [1,0,0,0,0,0|3,0,0]=4
12  B8R1.1  CC[C@H]1CCC(=O)O1 Molport-051-570-676 [1,0,0,0,0,0|3,0,0]=4
13  B8R1.18  CC1CC(=O)C(O1)C Molport-006-133-120 [1,0,0,0,0,0|2,1,0]=4
14  B8R1.18  CC1CC(C(=O)N1)C Molport-039-240-722 [1,0,0,0,0,0|2,0,1]=4
15  B10R1.34  CCC1OC(C(=O)C1=O)C Molport-051-928-293 [0,1,0,0,0,0|2,1,0]=4
16  B10R2.61  O=C1CC2CC1CCC2 Molport-038-434-939 [0,0,0,1,0,0|3,0,0]=4
17  B10R2.61  O=C1NC2CC1CCC2 Molport-029-001-406 [0,0,0,1,0,0|2,0,1]=4
18  B10R2.61  O=C1N[C@@H]2C[C@H]1CCC2 Molport-035-853-847 [0,0,0,1,0,0|2,0,1]=4
19  B9R1.5  CC1CCCCCC1=O Molport-014-212-811 [0,0,1,1,0,0|2,0,0]=4
20  B9R1.6  CC(=C)C1CCCCC1 Molport-021-452-082 [0,0,1,1,0,0|2,0,0]=4
21  B9R1.69  CC1CCC(C(=O)C1)C Molport-028-747-287 [0,0,1,1,0,0|2,0,0]=4
22  B9R1.163  CC(=O)C1(CCCC1)C Molport-001-790-251 [0,0,1,1,0,0|2,0,0]=4
23  B9R1.163  CC(=O)C1(CCCO1)C Molport-026-241-616 [0,0,1,1,0,0|1,1,0]=4
24  B9R1.163  CC1(CCCO1)C(=N)N Molport-044-730-137 [0,0,1,1,0,0|1,1,0]=4
25  B9R2.39  CC1=C[C@H]2CC[C@@H]1C2 Molport-039-332-996 [1,0,0,1,0,0|2,0,0]=4
26  B9R2.39  CC1CC2CC1C=C2 Molport-001-762-111 [1,0,0,1,0,0|2,0,0]=4
27  B9R2.7  O=C1C[C@@H]2[C@@H]1CCC2 Molport-053-105-027 [0,0,0,1,1,0|2,0,0]=4
28  B9R2.7  O=C1NC2C1CCC2 Molport-000-000-513 [0,0,0,1,1,0|1,0,1]=4
29  B9R2.7  O=C1N[C@@H]2[C@H]1CCC2 Molport-009-755-250 [0,0,0,1,1,0|1,0,1]=4
30  B9R2.7  O=C1N[C@H]2[C@@H]1CCC2 Molport-039-140-541 [0,0,0,1,1,0|1,0,1]=4
31  B11R2.678  CC1=CC2CCCC(C1)N2 Molport-046-790-783 [0,0,0,1,0,1|2,0,0]=4
32  B11R2.678  O=C1CC2CCCC(C1)S2 Molport-035-918-583 [0,0,0,1,0,1|2,0,0]=4