0  B16R2.163604  CCCNC1CCc2c(cccc2C1)O Molport-047-949-674 [0,0,0,0,0,0|0,0,0]=0
1  B16R2.163604  CCCN[C@@H]1CCc2c(cccc2C1)O Molport-046-592-383 [0,0,0,0,0,0|0,0,0]=0
2  B16R2.163604  CCCN[C@H]1CCc2c(cccc2C1)O Molport-023-331-353 [0,0,0,0,0,0|0,0,0]=0
3  B16R2.163604  CCCN[C@H]1CCc2c(cccc2C1)O Molport-051-904-702 [0,0,0,0,0,0|0,0,0]=0
4  B15R2.352  CCCNC1CCc2ccccc2C1 Molport-009-366-306 [1,0,0,0,0,0|0,0,0]=1
5  B15R2.352  NCCCN1CCc2ccccc2C1 Molport-003-758-485 [1,0,0,0,0,0|3,0,0]=4
6  B15R2.352  NCCCN1CCc2ccccc2C1 Molport-047-916-927 [1,0,0,0,0,0|3,0,0]=4
7  B15R2.352  OCCCN1CCc2ccccc2C1 Molport-003-178-987 [1,0,0,0,0,0|3,0,0]=4
8  B17R2.784  CCCNC1CCc2c(cccc2OC)C1 Molport-005-932-667 [0,1,0,0,0,0|0,0,0]=1
9  B17R2.784  CCCNC1CCc2c(cccc2OC)C1 Molport-039-141-650 [0,1,0,0,0,0|0,0,0]=1
10  B17R2.784  CCCN[C@@H]1CCc2c(cccc2OC)C1 Molport-042-665-595 [0,1,0,0,0,0|0,0,0]=1
11  B17R2.784  CCCN[C@H]1CCc2c(cccc2OC)C1 Molport-028-744-985 [0,1,0,0,0,0|0,0,0]=1
12  B15R2.351  CCCCN1Cc2cccc(c2C1)N Molport-016-635-823 [0,0,0,0,1,0|3,0,0]=4
13  B14R1.34  CCCCN(C)Cc1cccc(c1)O Molport-002-114-978 [1,0,1,0,0,0|2,0,0]=4
14  B14R2.112  CNCC1CCc2ccccc2C1 Molport-026-973-023 [2,0,0,0,0,0|1,0,0]=3
15  B14R2.112  NCCC1CCc2ccccc2C1 Molport-046-629-131 [2,0,0,0,0,0|1,0,0]=3
16  B16R2.477  CC(C)CNC1COc2ccccc2C1 Molport-005-131-733 [1,1,0,0,0,0|1,0,0]=3
17  B16R2.2441  CCCNCC1COc2ccccc2O1 Molport-004-034-632 [1,1,0,0,0,0|2,0,0]=4
18  B16R2.2441  COCCNC1CCc2ccccc2C1 Molport-002-150-748 [1,1,0,0,0,0|0,0,0]=2
19  B16R2.2441  NCCCCN1CCc2ccccc2C1 Molport-003-758-501 [1,1,0,0,0,0|2,0,0]=4
20  B16R2.2441  OCCCCN1CCc2ccccc2C1 Molport-008-755-503 [1,1,0,0,0,0|2,0,0]=4
21  B16R2.619  CCNC1CCc2c(cccc2OC)C1 Molport-053-106-747 [1,1,0,0,0,0|0,0,0]=2
22  B18R2.105335  CCC(=O)N[C@@H]1CCc2c(cccc2OC)C1 Molport-046-593-081 [0,2,0,0,0,0|0,0,1]=3
23  B18R2.105335  CCC(=O)N[C@H]1CCc2c(cccc2OC)C1 Molport-046-592-949 [0,2,0,0,0,0|0,0,1]=3
24  B18R2.278983  CCCN[C@@H]1CCc2c(cccc2[C@@H]1C)OC Molport-023-275-912 [0,2,0,0,0,0|0,0,0]=2
25  B16R2.71  Oc1ccccc1CNC2CCCCC2 Molport-002-115-843 [0,0,1,1,0,0|2,0,0]=4
26  B16R2.71  Oc1ccccc1OCC2CCCCC2 Molport-011-527-821 [0,0,1,1,0,0|2,0,0]=4
27  B16R2.2698  COc1c(cccc1CC2CCCN2)F Molport-044-856-317 [0,0,1,1,0,0|2,0,0]=4
28  B16R2.25778  Cc1cccc(c1NC[C@@H]2CCCN2)C Molport-035-772-451 [0,0,1,1,0,0|2,0,0]=4
29  B16R3.748214  C1CSC2(N1)CCc3ccccc3C2 Molport-009-195-615 [1,0,0,1,0,0|1,0,0]=3
30  B18R3.1270450  COc1cccc2c1CCC3(C2)OCCO3 Molport-051-802-020 [0,1,0,1,0,0|2,0,0]=4
31  B14R2.3  CCCNC1CCc2c1cccc2 Molport-004-331-801 [1,0,0,0,1,0|0,0,0]=2
32  B14R2.991  CCCNC1CCc2ncsc2C1 Molport-046-592-286 [1,0,0,0,1,0|2,0,0]=4
33  B16R2.1294  CCCCC1CNCc2ccccc2O1 Molport-039-121-521 [1,0,0,0,0,1|2,0,0]=4