smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+]1(CCS(=O)(=O)C[N+]2(C)CCCCC2)CCCCC1	ZINC000001568263	406672464	/nfs/dbraw/zinc/67/24/64/406672464.db2.gz	BKRFFFKFOOFIQC-UHFFFAOYSA-N	2	0	304.500	1.620	40	5		DDBBRP
CC[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)CC	ZINC000004217493	181085595	/nfs/dbraw/zinc/08/55/95/181085595.db2.gz	DIWYJMPVHQDIMM-UHFFFAOYSA-N	2	0	318.458	1.046	40	5	in-man	DDBBRP
C[N+]1(CCOC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)CCOCC1	ZINC000247633212	354366025	/nfs/dbraw/zinc/36/60/25/354366025.db2.gz	CDFJUUFTPWMARE-NLWGTHIKSA-N	2	0	312.498	1.889	40	5		DDBBRP
C[N+]1(CCOC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)CCOCC1	ZINC000247633215	354366011	/nfs/dbraw/zinc/36/60/11/354366011.db2.gz	CDFJUUFTPWMARE-NSHGMRRFSA-N	2	0	312.498	1.889	40	5		DDBBRP
C[N+]1(CCOC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)CCOCC1	ZINC000247633206	354366022	/nfs/dbraw/zinc/36/60/22/354366022.db2.gz	CDFJUUFTPWMARE-BJLQDIEVSA-N	2	0	312.498	1.889	40	5		DDBBRP
C[N+](C)(C)CCOC(=O)CCCCC(=O)OCC[N+](C)(C)C	ZINC000005002543	406729148	/nfs/dbraw/zinc/72/91/48/406729148.db2.gz	SIVNNSZMJKUCEL-UHFFFAOYSA-N	2	0	318.458	1.046	40	5		DDBBRP
C[N+]1(CCOC[C@@H]2CCC[N@@+]3(C)CCCC[C@@H]23)CCOCC1	ZINC000247633210	354366029	/nfs/dbraw/zinc/36/60/29/354366029.db2.gz	CDFJUUFTPWMARE-CMKODMSKSA-N	2	0	312.498	1.889	40	5		DDBBRP
CCc1[nH+]c(N)nc(N)c1-c1ccc(NCC[NH3+])c([N+](=O)[O-])c1	ZINC000026501194	406904892	/nfs/dbraw/zinc/90/48/92/406904892.db2.gz	XYSUDZRZSXTBRQ-UHFFFAOYSA-N	2	0	317.353	1.149	40	5		DDBBRP