0  B12R2.509  CC1([C@H]([C@]2(CC[C@@H]1C2)C)O)C Molport-002-506-889 [0,0,0,0,0,0|0,0,2]=2
1  B12R2.509  CC1([C@H]2CC[C@](C2)([C@H]1O)C)C Molport-003-927-521 [0,0,0,0,0,0|0,0,2]=2
2  B12R2.509  CC12CCC(C1)C(C2N)(C)C Molport-000-145-692 [0,0,0,0,0,0|1,0,1]=2
3  B13R2.2794  CC1(/C(=N\O)/[C@@]2(CCC1C2)C)C Molport-002-914-859 [0,1,0,0,0,0|0,0,1]=2
4  B13R2.2794  CC1\2CCC(C1)C(/C2=N/O)(C)C Molport-001-020-710 [0,1,0,0,0,0|0,0,1]=2
5  B11R1.1105  CN(C)C(=O)C1(CCNC1)F Molport-053-110-522 [0,0,1,0,0,0|3,0,0]=4
6  B10R1.560  CC1(CC(C(O1)(C)C)N)C Molport-029-998-175 [1,0,1,0,0,0|2,0,0]=4
7  B10R1.220  CC1(CCC(C1=O)C#N)C Molport-029-879-076 [1,0,1,0,0,0|1,0,1]=4
8  B10R1.23  CC(Cl)C(=O)N1CCCC1 Molport-004-411-945 [1,0,1,0,0,0|2,0,0]=4
9  B10R1.23  CN(C)C(=O)[C@@H]1CCCN1 Molport-029-998-053 [1,0,1,0,0,0|2,0,0]=4
10  B10R1.411  COC(=O)C1(CCCC1)Br Molport-028-950-387 [1,0,1,0,0,0|2,0,0]=4
11  B10R1.411  COC(=O)C1(CCCN1)C Molport-027-839-246 [1,0,1,0,0,0|2,0,0]=4
12  B10R1.411  COC(=O)[C@@]1(CCCN1)C Molport-030-005-236 [1,0,1,0,0,0|2,0,0]=4
13  B10R1.307  CC1(COCC(N1)(C)C)C Molport-001-799-572 [1,0,1,0,0,0|2,0,0]=4
14  B10R2.19  CC12CCC(C1)CC2N Molport-016-583-498 [2,0,0,0,0,0|1,0,1]=4
15  B12R1.510  CN1C(CC(CC1(C)C)N)(C)C Molport-000-141-470 [0,1,1,0,0,0|2,0,0]=4
16  B12R1.510  CN1C(CC(CC1(C)C)N)(C)C Molport-002-090-698 [0,1,1,0,0,0|2,0,0]=4
17  B12R1.510  CN1C(CC(CC1(C)C)O)(C)C Molport-002-742-962 [0,1,1,0,0,0|2,0,0]=4
18  B14R2.23744  C=C1C2(CCC(C2)C1(C)C)C(=O)O Molport-000-421-911 [0,2,0,0,0,0|1,0,1]=4
19  B14R2.23744  C=C1C2(CCC(C2)C1(C)C)C(=O)[O-] Molport-000-706-606 [0,2,0,0,0,0|1,0,1]=4
20  B14R2.23744  CC1(C(=O)C2(CCC1C2)C(=O)[O-])C Molport-000-712-942 [0,2,0,0,0,0|0,0,1]=3
21  B14R2.79581  CC1(C(=O)C2(CCC1(C2Br)C)Br)C Molport-000-421-918 [0,2,0,0,0,0|1,0,0]=3
22  B14R2.79581  CC1(C(=O)C2(CCC1([C@H]2Br)C)Br)C Molport-002-541-066 [0,2,0,0,0,0|1,0,0]=3
23  B12R3.4045  CC1(C2CC3C1(C3C2)C)C Molport-006-111-525 [1,0,0,1,0,0|1,0,1]=4
24  B14R3.66385  CC12CCC3C1(CC3(C2=O)Br)C Molport-000-421-924 [0,1,0,1,0,0|1,0,0]=3
25  B14R3.66385  CC12CCC3[C@]1(CC3(C2=O)Br)C Molport-002-638-348 [0,1,0,1,0,0|1,0,0]=3
26  B10R1.315  CC1(C(=O)C(C1=O)(C)C)C Molport-002-501-922 [0,0,1,0,1,0|1,0,1]=4
27  B12R1.2206  CN(C)C(=O)C1(CCNCC1)C Molport-029-997-982 [0,0,1,0,0,1|1,0,0]=3
28  B12R2.2482  CC1(CC2CC(C1)(CN2)C)C Molport-002-045-309 [1,0,0,0,0,1|1,0,1]=4
29  B12R2.2482  CC1(C[C@@H]2C[C@](C1)(CN2)C)C Molport-016-631-564 [1,0,0,0,0,1|1,0,1]=4
30  B12R2.5234  CC12CCC(CC1)C(O2)(C)C Molport-003-929-343 [1,0,0,0,0,1|1,0,0]=3