smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C1=CCC(Nc2[nH]c3ccccc3[nH+]2)C1	160556326	538046674	/nfs/dbraw/zinc/04/66/74/538046674.db2.gz	UOJFLRJCPXDIJW-UHFFFAOYSA-N	1	1	199.257	2.693	20	70		AFIDMO
CCC(CC)Cn1c[nH+]c(C)c1C	161047153	486978431	/nfs/dbraw/zinc/97/84/31/486978431.db2.gz	HTAVYXUKAOCPTK-UHFFFAOYSA-N	1	1	180.295	2.936	20	70		AFIDMO
C[N@@H+](CC1CCCC1)C(C)(C)C	217754984	487028164	/nfs/dbraw/zinc/02/81/64/487028164.db2.gz	FPHCOJOLHBLVNJ-UHFFFAOYSA-N	1	1	169.312	2.907	20	70		AFIDMO
CCC[N@@H+](CCC1CC1)C(C)C	217956581	487028269	/nfs/dbraw/zinc/02/82/69/487028269.db2.gz	UKZYMLMPDCJMJJ-UHFFFAOYSA-N	1	1	169.312	2.907	20	70		AFIDMO
CC1CCC([N@@H+](C)CC2CC2)CC1	218533482	490070259	/nfs/dbraw/zinc/07/02/59/490070259.db2.gz	ZRBDRYNUGMCAKJ-UHFFFAOYSA-N	1	1	181.323	2.907	20	70		AFIDMO
CCC[C@H]1[C@@H](C)CCC[N@H+]1CCOC	217766102	344406312	/nfs/dbraw/zinc/40/63/12/344406312.db2.gz	OYPJIGIYBJCYCW-RYUDHWBXSA-N	1	1	199.338	2.533	20	70		AFIDMO
Cc1cc[nH+]c(N[C@@H](C)C2CCC2)c1	160057691	344157561	/nfs/dbraw/zinc/15/75/61/344157561.db2.gz	WKOJSCQSNIIGBE-JTQLQIEISA-N	1	1	190.290	2.991	20	70		AFIDMO
Cc1cc[nH+]c(N[C@H](C)C2CCC2)c1	160057818	344157613	/nfs/dbraw/zinc/15/76/13/344157613.db2.gz	WKOJSCQSNIIGBE-SNVBAGLBSA-N	1	1	190.290	2.991	20	70		AFIDMO
CSCCCn1cc[nH+]c1C(C)C	160398851	344164573	/nfs/dbraw/zinc/16/45/73/344164573.db2.gz	QZNNYJSYOPDMAI-UHFFFAOYSA-N	1	1	198.335	2.760	20	70		AFIDMO
Cc1[nH+]cn([C@H]2C=CCCC2)c1C	161183336	344186510	/nfs/dbraw/zinc/18/65/10/344186510.db2.gz	CRLZKYHCCCTAHC-NSHDSACASA-N	1	1	176.263	2.781	20	70		AFIDMO
Cc1[nH+]cn([C@@H]2C=CCCC2)c1C	161183451	344186793	/nfs/dbraw/zinc/18/67/93/344186793.db2.gz	CRLZKYHCCCTAHC-LLVKDONJSA-N	1	1	176.263	2.781	20	70		AFIDMO
CCCC[N@@H+](CC)C1CCC1	218312515	344411425	/nfs/dbraw/zinc/41/14/25/344411425.db2.gz	UKSDKVUQJVQFKT-UHFFFAOYSA-N	1	1	155.285	2.661	20	70		AFIDMO
C[N@@H+](CC1CCC1)C(C)(C)C	217753872	344405710	/nfs/dbraw/zinc/40/57/10/344405710.db2.gz	IAZBMYONKCJTQW-UHFFFAOYSA-N	1	1	155.285	2.517	20	70		AFIDMO
CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCOC	217766024	344406252	/nfs/dbraw/zinc/40/62/52/344406252.db2.gz	OYPJIGIYBJCYCW-NWDGAFQWSA-N	1	1	199.338	2.533	20	70		AFIDMO
Cc1ccc(C[N@H+](C)C(C)C)cc1	218418631	344412433	/nfs/dbraw/zinc/41/24/33/344412433.db2.gz	HEVBJMWRYZWYLZ-UHFFFAOYSA-N	1	1	177.291	2.835	20	70		AFIDMO
C[C@H]1C[N@@H+](CCC(C)(C)C)[C@@H](C)CO1	218469764	344412829	/nfs/dbraw/zinc/41/28/29/344412829.db2.gz	ZAVMMBLCNXXIQD-QWRGUYRKSA-N	1	1	199.338	2.532	20	70		AFIDMO
CCC[C@H](C)[N@@H+](C)CC(C)C	218365776	409513798	/nfs/dbraw/zinc/51/37/98/409513798.db2.gz	VDHRWIGCKNFOPQ-JTQLQIEISA-N	1	1	157.301	2.763	20	70		AFIDMO
CCC[C@@H](C)[N@@H+](C)CC(C)C	218365705	409514719	/nfs/dbraw/zinc/51/47/19/409514719.db2.gz	VDHRWIGCKNFOPQ-SNVBAGLBSA-N	1	1	157.301	2.763	20	70		AFIDMO