smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+](CCC#CC(C)(C)C)Cc1cccc2ccccc21	ZINC000005350921	170088662	/nfs/dbraw/zinc/08/86/62/170088662.db2.gz	NIWNQRYVOLRIML-UHFFFAOYSA-N	1	1	279.427	4.711	10	30		CJEEMO
C=C[C@@]1(CCCC)CCCC[N@H+]1Cc1ccccc1	ZINC000005713474	170132391	/nfs/dbraw/zinc/13/23/91/170132391.db2.gz	NYWRCVVQMMMDLI-GOSISDBHSA-N	1	1	257.421	4.788	10	30		CJEEMO
C=C[C@]1(CCCC)CCCC[N@H+]1Cc1ccccc1	ZINC000005713593	170132383	/nfs/dbraw/zinc/13/23/83/170132383.db2.gz	NYWRCVVQMMMDLI-SFHVURJKSA-N	1	1	257.421	4.788	10	30		CJEEMO
C=C[C@H]1C[N@H+](Cc2ccccc2)C/C1=C(\C)c1ccccc1	ZINC000021989960	171346237	/nfs/dbraw/zinc/34/62/37/171346237.db2.gz	YAUINZKUWQTLCN-AJNNJPABSA-N	1	1	289.422	4.778	10	30		CJEEMO
C=C[C@@H]1C[N@H+](Cc2ccccc2)C/C1=C(\C)c1ccccc1	ZINC000021989963	171346225	/nfs/dbraw/zinc/34/62/25/171346225.db2.gz	YAUINZKUWQTLCN-JUJXNAJKSA-N	1	1	289.422	4.778	10	30		CJEEMO
CCCCCCCc1cccc(N2CCCCC2)[nH+]1	ZINC000043504310	534989465	/nfs/dbraw/zinc/98/94/65/534989465.db2.gz	YVHVJLPVKUCQPV-UHFFFAOYSA-N	1	1	260.425	4.585	10	30		CJEEMO
CCCCC[N@@H+](C(C)C)[C@@H](CC#N)c1ccccc1	ZINC000055020562	520149853	/nfs/dbraw/zinc/14/98/53/520149853.db2.gz	CXHRWATUACYULY-KRWDZBQOSA-N	1	1	258.409	4.542	10	30		CJEEMO
CCCCC[N@@H+](C(C)C)[C@H](CC#N)c1ccccc1	ZINC000055020564	520150026	/nfs/dbraw/zinc/15/00/26/520150026.db2.gz	CXHRWATUACYULY-QGZVFWFLSA-N	1	1	258.409	4.542	10	30		CJEEMO
C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCC(C)(C)C#N	ZINC000087608704	260192550	/nfs/dbraw/zinc/19/25/50/260192550.db2.gz	QMQSDCSLKBUJBX-ZDUSSCGKSA-N	1	1	278.827	4.663	10	30		CJEEMO
C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCC(C)(C)C#N	ZINC000087608705	260192567	/nfs/dbraw/zinc/19/25/67/260192567.db2.gz	QMQSDCSLKBUJBX-CYBMUJFWSA-N	1	1	278.827	4.663	10	30		CJEEMO