0  B16R3.1795  C1CC2NCC(C2C1)c3ccccc3 Molport-038-948-048 [0,0,0,0,0,0|0,0,0]=0
1  B15R2.2196  C(CC1CCCN1)Cc2ccccc2 Molport-011-492-163 [0,0,1,0,0,0|2,0,0]=3
2  B15R3.1722  C1C2CNCC2C1c3ccccc3 Molport-044-651-786 [0,0,0,0,1,0|1,0,0]=2
3  B15R3.1722  C1[C@@H]2CNC[C@@H]2[C@H]1c3ccccc3 Molport-042-690-238 [0,0,0,0,1,0|1,0,0]=2
4  B15R3.1728  C1C[C@@H]2[C@H]1CN[C@@H]2c3ccccc3 Molport-046-831-704 [0,0,0,0,1,0|2,0,0]=3
5  B17R3.8  C1NC2CCCCC2C1c3ccccc3 Molport-028-770-708 [0,0,0,0,0,1|0,0,0]=1
6  B17R3.8  C1NC2CCOCC2C1c3ccccc3 Molport-038-947-734 [0,0,0,0,0,1|0,0,0]=1
7  B17R3.8  C1NC2CCOCC2[C@H]1c3ccccc3 Molport-052-057-475 [0,0,0,0,0,1|0,0,0]=1
8  B17R3.8759  C(C1CCC2C1CNC2)c3cccnc3 Molport-051-669-490 [0,0,0,0,0,1|3,0,0]=4
9  B17R3.8759  C([C@H]1CC[C@H]2[C@@H]1CNC2)c3ccccc3 Molport-052-057-171 [0,0,0,0,0,1|2,0,0]=3
10  B17R3.8759  C1C[C@@H](C2C1CNC2)Oc3ccccc3 Molport-051-673-370 [0,0,0,0,0,1|2,0,0]=3
11  B14R2.8  OC[C@@H]1CC[C@H](C1)c2ccccc2 Molport-039-241-439 [1,0,1,0,0,0|2,0,0]=4
12  B14R2.8  OC[C@H]1CC[C@@H](C1)c2ccccc2 Molport-053-104-826 [1,0,1,0,0,0|2,0,0]=4
13  B14R2.30  CC1NCCC1Cc2ccccc2 Molport-013-611-654 [1,0,1,0,0,0|1,0,0]=3
14  B14R2.30  NC1CCCC1Cc2ccccc2 Molport-013-677-851 [1,0,1,0,0,0|0,0,0]=2
15  B14R2.30  N[C@H]1CCC[C@@H]1Cc2ccccc2 Molport-051-783-651 [1,0,1,0,0,0|0,0,0]=2
16  B14R2.30  N[C@H]1COC[C@H]1Cc2ccncc2 Molport-046-835-855 [1,0,1,0,0,0|2,0,0]=4
17  B14R2.30  OC1CCCC1Cc2ccccc2 Molport-014-213-870 [1,0,1,0,0,0|1,0,0]=3
18  B14R2.114  CC(C1CCCN1)c2ccccc2 Molport-020-249-058 [1,0,1,0,0,0|1,0,0]=3
19  B14R2.114  CC(C1CCNC1)c2ccccc2 Molport-046-419-725 [1,0,1,0,0,0|1,0,0]=3
20  B16R2.464  CN(C)[C@@H]1CCN[C@H]1Cc2ccccc2 Molport-047-262-885 [0,1,1,0,0,0|1,0,0]=3
21  B16R2.75907  Cc1ccccc1[C@H]2CN[C@@H]([C@@H]2O)CO Molport-051-682-018 [0,1,1,0,0,0|2,0,0]=4
22  B18R3.6550  O[C@H]1C[C@H](O[C@@H]2[C@@H]1CCC2)c3ccccc3 Molport-046-975-376 [0,1,0,0,0,1|1,0,0]=3
23  B16R3.1786  C1CC2(C1)CNCC2c3ccccc3 Molport-039-241-800 [0,0,1,1,0,0|0,0,0]=2
24  B16R3.3283  N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2c3ccccc3 Molport-046-855-910 [0,0,1,1,0,0|2,0,0]=4
25  B16R3.3283  OC1CC2CC1CC2c3ccccc3 Molport-046-766-946 [0,0,1,1,0,0|2,0,0]=4
26  B16R3.5980  C1NC[C@]2([C@@H]1COC2)c3ccccc3 Molport-044-600-500 [0,0,1,1,0,0|1,0,0]=3
27  B16R3.1739  NC1C2CCC(C2)C1c3ccccc3 Molport-003-824-721 [0,0,1,1,0,0|0,0,0]=2
28  B16R3.1739  NC1C2CCC(C2)C1c3ccccc3 Molport-046-203-271 [0,0,1,1,0,0|0,0,0]=2
29  B16R3.1798  C1CC2CC1CNC2c3ccccc3 Molport-035-831-191 [0,0,1,1,0,0|2,0,0]=4
30  B16R3.1798  C1CC2CC1CNC2c3ccccc3 Molport-051-781-656 [0,0,1,1,0,0|2,0,0]=4
31  B16R3.5981  C1NC(C12CCCC2)c3ccccc3 Molport-039-241-262 [0,0,1,1,0,0|2,0,0]=4
32  B16R3.5992  C1CC1(C2CCNC2)c3ccccc3 Molport-051-774-631 [0,0,1,1,0,0|2,0,0]=4
33  B16R3.5224  O[C@@H]1[C@H]2CC[C@@H]1[C@H](C2)c3ccccc3 Molport-047-771-934 [0,0,1,1,0,0|1,0,0]=3
34  B16R3.1783  C1[C@H]2CCNC[C@@H]2[C@H]1c3ccccc3 Molport-053-105-136 [0,0,1,1,0,0|2,0,0]=4
35  B18R3.2123  C1CCC2CC(OCC2C1)c3ccccc3 Molport-001-919-825 [0,0,0,0,0,2|2,0,0]=4
36  B18R3.2115  C(C1CCCC2C1CNC2)c3ccccc3 Molport-051-668-634 [0,0,0,0,0,2|2,0,0]=4