smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(CC)[N@@H+](C)CCC(=O)OC	36789379	1169074534	/nfs/dbraw/zinc/07/45/34/1169074534.db2.gz	BIPIORYCMGBKEB-UHFFFAOYSA-N	1	1	187.283	1.670	30	0		ADACMO
N[C@@H]1CCC[NH2+][C@@H]1c1ccccc1	33961547	169251885	/nfs/dbraw/zinc/25/18/85/169251885.db2.gz	GFMAFYNUQDLPBP-GHMZBOCLSA-N	1	1	176.263	1.438	30	0		ADACMO
Nc1cc2[nH+]c[nH]c2cc1Cl	45821017	169289493	/nfs/dbraw/zinc/28/94/93/169289493.db2.gz	XOGPROGBNPDREL-UHFFFAOYSA-N	1	1	167.599	1.799	30	0		ADACMO
CCC[C@H](C)[N@@H+](C)CCC(=O)OC	35247941	343130831	/nfs/dbraw/zinc/13/08/31/343130831.db2.gz	OFGLEEDDLJQSAU-VIFPVBQESA-N	1	1	187.283	1.670	30	0		ADACMO
CCC[C@@H](C)[N@@H+](C)CCC(=O)OC	35247939	343130851	/nfs/dbraw/zinc/13/08/51/343130851.db2.gz	OFGLEEDDLJQSAU-SECBINFHSA-N	1	1	187.283	1.670	30	0		ADACMO
COC(=O)CC[N@@H+](C)CCC(C)C	42338320	343240562	/nfs/dbraw/zinc/24/05/62/343240562.db2.gz	WMZBQBAHEWYSTF-UHFFFAOYSA-N	1	1	187.283	1.527	30	0		ADACMO
CCC(C)(C)[N@@H+](C)CCC(=O)OC	68999977	343420522	/nfs/dbraw/zinc/42/05/22/343420522.db2.gz	LXPFEDQDYSWAGI-UHFFFAOYSA-N	1	1	187.283	1.670	30	0		ADACMO