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](O)CC[N@H+](C)CCn1cc[nH+]c1	159606232	538034179	/nfs/dbraw/zinc/03/41/79/538034179.db2.gz	JLUPHCIOJGEMJC-SNVBAGLBSA-N	2	2	197.282	0.586	20	70		ACIDLP
C[C@@H](O)CC[N@@H+](C)CCn1cc[nH+]c1	159606232	538034185	/nfs/dbraw/zinc/03/41/85/538034185.db2.gz	JLUPHCIOJGEMJC-SNVBAGLBSA-N	2	2	197.282	0.586	20	70		ACIDLP
C[C@H](O)CC[N@H+](C)CCn1cc[nH+]c1	159606152	538036680	/nfs/dbraw/zinc/03/66/80/538036680.db2.gz	JLUPHCIOJGEMJC-JTQLQIEISA-N	2	2	197.282	0.586	20	70		ACIDLP
C[C@H](O)CC[N@@H+](C)CCn1cc[nH+]c1	159606152	538036689	/nfs/dbraw/zinc/03/66/89/538036689.db2.gz	JLUPHCIOJGEMJC-JTQLQIEISA-N	2	2	197.282	0.586	20	70		ACIDLP
CC[N@H+](CCCO)CCn1cc[nH+]c1	160374831	538044895	/nfs/dbraw/zinc/04/48/95/538044895.db2.gz	TXTZKWQBBLMHKY-UHFFFAOYSA-N	2	2	197.282	0.587	20	70		ACIDLP
CC[N@@H+](CCCO)CCn1cc[nH+]c1	160374831	538044902	/nfs/dbraw/zinc/04/49/02/538044902.db2.gz	TXTZKWQBBLMHKY-UHFFFAOYSA-N	2	2	197.282	0.587	20	70		ACIDLP
COCC[NH2+]CC[NH2+]C[C@H]1C[C@@H]1C	161504077	486979820	/nfs/dbraw/zinc/97/98/20/486979820.db2.gz	YBJJNYITUZHUAB-VHSXEESVSA-N	2	2	186.299	0.468	20	70		ACIDLP
COCC[NH2+]CC[NH2+]C[C@@H]1C[C@H]1C	161504173	486980081	/nfs/dbraw/zinc/98/00/81/486980081.db2.gz	YBJJNYITUZHUAB-ZJUUUORDSA-N	2	2	186.299	0.468	20	70		ACIDLP
COCC[NH2+]CC[NH2+]C[C@@H]1C[C@@H]1C	161504277	486980251	/nfs/dbraw/zinc/98/02/51/486980251.db2.gz	YBJJNYITUZHUAB-UWVGGRQHSA-N	2	2	186.299	0.468	20	70		ACIDLP
COCC[NH2+]CC[NH2+]C[C@H]1C[C@H]1C	161503942	486980281	/nfs/dbraw/zinc/98/02/81/486980281.db2.gz	YBJJNYITUZHUAB-NXEZZACHSA-N	2	2	186.299	0.468	20	70		ACIDLP
C[NH2+]CCC[N@@H+]1C[C@H](C)OC[C@@H]1C	218080368	487029114	/nfs/dbraw/zinc/02/91/14/487029114.db2.gz	BBPWMQFZHPGBEW-UWVGGRQHSA-N	2	2	186.299	0.705	20	70		ACIDLP
C[NH2+]CCC[N@H+]1C[C@H](C)OC[C@@H]1C	218080368	487029119	/nfs/dbraw/zinc/02/91/19/487029119.db2.gz	BBPWMQFZHPGBEW-UWVGGRQHSA-N	2	2	186.299	0.705	20	70		ACIDLP
C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CCCO1	218065968	487029162	/nfs/dbraw/zinc/02/91/62/487029162.db2.gz	PJOGNWODDWTTOA-VWYCJHECSA-N	2	2	198.310	0.896	20	70		ACIDLP
C[NH2+]CCC[N@@H+]1C[C@@H](C)OC[C@@H]1C	218080276	487029186	/nfs/dbraw/zinc/02/91/86/487029186.db2.gz	BBPWMQFZHPGBEW-VHSXEESVSA-N	2	2	186.299	0.705	20	70		ACIDLP
C[NH2+]CCC[N@H+]1C[C@@H](C)OC[C@@H]1C	218080276	487029191	/nfs/dbraw/zinc/02/91/91/487029191.db2.gz	BBPWMQFZHPGBEW-VHSXEESVSA-N	2	2	186.299	0.705	20	70		ACIDLP
C[N@H+]1CCC[C@@H]1CNCc1[nH]cc[nH+]1	218234765	344410639	/nfs/dbraw/zinc/41/06/39/344410639.db2.gz	ONILJAAEAZYVQX-SECBINFHSA-N	2	2	194.282	0.594	20	70		ACIDLP