smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc[nH+]c1N[C@@H](C)C1CC1	159462101	344145084	/nfs/dbraw/zinc/14/50/84/344145084.db2.gz	IFORYDZXMNBSGC-QMMMGPOBSA-N	1	2	192.262	2.301	10	70		AEIELO
CCOc1ccc[nH+]c1N[C@H]1C[C@H]1C	160229467	344160679	/nfs/dbraw/zinc/16/06/79/344160679.db2.gz	PYNLTJAWRLLBJP-BDAKNGLRSA-N	1	2	192.262	2.301	10	70		AEIELO
CCOc1ccc[nH+]c1N[C@H]1C[C@@H]1C	160229197	344160723	/nfs/dbraw/zinc/16/07/23/344160723.db2.gz	PYNLTJAWRLLBJP-IUCAKERBSA-N	1	2	192.262	2.301	10	70		AEIELO
CCNc1[nH+]cccc1OC(C)C	160192608	344159685	/nfs/dbraw/zinc/15/96/85/344159685.db2.gz	PZJOKFXLLZXVNT-UHFFFAOYSA-N	1	2	180.251	2.301	10	70		AEIELO
CCOc1ccc[nH+]c1NC1CC1	160190350	344159700	/nfs/dbraw/zinc/15/97/00/344159700.db2.gz	VHNUWMNYZJWKEH-UHFFFAOYSA-N	1	2	178.235	2.055	10	70		AEIELO
COc1ccc[nH+]c1N[C@H](C)C1CC1	159462217	344145176	/nfs/dbraw/zinc/14/51/76/344145176.db2.gz	IFORYDZXMNBSGC-MRVPVSSYSA-N	1	2	192.262	2.301	10	70		AEIELO
CC[C@H](C)Nc1[nH+]cccc1OC	159464655	344145716	/nfs/dbraw/zinc/14/57/16/344145716.db2.gz	UXQORDREOLTFDI-QMMMGPOBSA-N	1	2	180.251	2.301	10	70		AEIELO
CC[C@@H](C)Nc1[nH+]cccc1OC	159464536	344145886	/nfs/dbraw/zinc/14/58/86/344145886.db2.gz	UXQORDREOLTFDI-MRVPVSSYSA-N	1	2	180.251	2.301	10	70		AEIELO
CCOc1ccc[nH+]c1NC(C)C	160188748	344159083	/nfs/dbraw/zinc/15/90/83/344159083.db2.gz	VNFJQBCJDXVKQC-UHFFFAOYSA-N	1	2	180.251	2.301	10	70		AEIELO
CCOc1ccc[nH+]c1N[C@@H]1C[C@H]1C	160229330	344160541	/nfs/dbraw/zinc/16/05/41/344160541.db2.gz	PYNLTJAWRLLBJP-RKDXNWHRSA-N	1	2	192.262	2.301	10	70		AEIELO
CCOc1ccc[nH+]c1N[C@@H]1C[C@@H]1C	160229065	344160658	/nfs/dbraw/zinc/16/06/58/344160658.db2.gz	PYNLTJAWRLLBJP-DTWKUNHWSA-N	1	2	192.262	2.301	10	70		AEIELO
Cc1c[nH+]ccc1Cn1cccc1	160620222	344171938	/nfs/dbraw/zinc/17/19/38/344171938.db2.gz	JOMCHXDQWMHSNK-UHFFFAOYSA-N	1	2	172.231	2.240	10	70		AEIELO
COC(=[NH2+])C1(OC)CCC(C)CC1	160771763	344177065	/nfs/dbraw/zinc/17/70/65/344177065.db2.gz	MLMVTUJEMGMWMH-UHFFFAOYSA-N	1	2	185.267	2.205	10	70		AEIELO
C1=C[C@@H](n2cc[nH+]c2)CCC1	161122185	344185530	/nfs/dbraw/zinc/18/55/30/344185530.db2.gz	FALWGKDOLNSJQS-SECBINFHSA-N	1	2	148.209	2.164	10	70		AEIELO
C1=C[C@H](n2cc[nH+]c2)CCC1	161122063	344185772	/nfs/dbraw/zinc/18/57/72/344185772.db2.gz	FALWGKDOLNSJQS-VIFPVBQESA-N	1	2	148.209	2.164	10	70		AEIELO
CC(C)(C)OCCNc1cccc[nH+]1	218261706	344411110	/nfs/dbraw/zinc/41/11/10/344411110.db2.gz	HGUOQWTVGUNQBO-UHFFFAOYSA-N	1	2	194.278	2.309	10	70		AEIELO