smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1CC[C@H](N(CCC[NH3+])Cc2ccco2)C[C@@H]1C	ZINC000004820465	170023360	/nfs/dbraw/zinc/02/33/60/170023360.db2.gz	UDTRLIVLFCHUOX-KKUMJFAQSA-N	1	3	264.413	3.255	1	0		CGAFHO
C[C@@H](Cc1ccc(OCCN2CCCCC2)cc1)[NH+](C)C	ZINC000005127660	170068806	/nfs/dbraw/zinc/06/88/06/170068806.db2.gz	BZCQZAHRNSSHRA-INIZCTEOSA-N	1	3	290.451	3.044	1	0		CGAFHO
C[NH+](C)CCc1c2c[nH]ccc-2nc1-c1ccccc1	ZINC000096142570	185106543	/nfs/dbraw/zinc/10/65/43/185106543.db2.gz	GRZMIEOCEFYZTK-UHFFFAOYSA-N	1	3	265.360	3.334	1	0		CGAFHO
Cc1cc(N)nc(CCCCCc2cc(C)cc(N)[nH+]2)c1	ZINC000095921097	185031628	/nfs/dbraw/zinc/03/16/28/185031628.db2.gz	UWCJUMUVUHRQQV-UHFFFAOYSA-N	1	3	284.407	3.213	1	0	in-vitro	CGAFHO
C[C@H]1CC[C@@H](N(CCC[NH3+])Cc2ccco2)C[C@@H]1C	ZINC000004820467	170023335	/nfs/dbraw/zinc/02/33/35/170023335.db2.gz	UDTRLIVLFCHUOX-SOUVJXGZSA-N	1	3	264.413	3.255	1	0		CGAFHO
C[C@H](Cc1ccc(OCCN2CCCCC2)cc1)[NH+](C)C	ZINC000005127663	170068742	/nfs/dbraw/zinc/06/87/42/170068742.db2.gz	BZCQZAHRNSSHRA-MRXNPFEDSA-N	1	3	290.451	3.044	1	0		CGAFHO
COc1ccc2c(c1)CC[N@H+]1CCc3ccccc3C[C@H]21	ZINC000006411807	170199667	/nfs/dbraw/zinc/19/96/67/170199667.db2.gz	SNAKNALELBXYNI-LJQANCHMSA-N	1	3	279.383	3.393	1	0		CGAFHO
COc1ccc2c(c1)CC[N@@H+]1CCc3ccccc3C[C@H]21	ZINC000006411807	170199669	/nfs/dbraw/zinc/19/96/69/170199669.db2.gz	SNAKNALELBXYNI-LJQANCHMSA-N	1	3	279.383	3.393	1	0		CGAFHO