smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(=O)c(C#N)c(N2CC[NH+](CC(=O)NC3CC3)CC2)n(C)c1=O	ZINC000014138142	374347514	/nfs/dbraw/zinc/34/75/14/374347514.db2.gz	JTNLTRJFTYXPJJ-UHFFFAOYSA-N	1	2	346.391	-1.644	50	30		EAEALO
CN(C)C(=O)C[NH+]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1	ZINC000014140777	374347579	/nfs/dbraw/zinc/34/75/79/374347579.db2.gz	NYEDLSZMXSKXGE-UHFFFAOYSA-N	1	2	334.380	-1.834	50	30		EAEALO
C=CCNC(=O)CN1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1	ZINC000022373974	212294566	/nfs/dbraw/zinc/29/45/66/212294566.db2.gz	LXAFRGYFPJPDMD-UHFFFAOYSA-N	1	2	335.408	-1.496	50	30		EAEALO
C=CCNC(=O)C[NH+]1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1	ZINC000022373974	212294562	/nfs/dbraw/zinc/29/45/62/212294562.db2.gz	LXAFRGYFPJPDMD-UHFFFAOYSA-N	1	2	335.408	-1.496	50	30		EAEALO
C=CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1	ZINC000069569141	415319155	/nfs/dbraw/zinc/31/91/55/415319155.db2.gz	HVKZGDXTZPZYLC-LBPRGKRZSA-N	1	2	336.392	-1.030	50	30		EAEALO
C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1	ZINC000069569144	518913120	/nfs/dbraw/zinc/91/31/20/518913120.db2.gz	HVKZGDXTZPZYLC-GFCCVEGCSA-N	1	2	336.392	-1.030	50	30		EAEALO
CCC#CC[N@H+]1CCN(C(=O)c2cc(-n3cnnn3)[nH]n2)C[C@H](O)C1	ZINC000097402508	219021728	/nfs/dbraw/zinc/02/17/28/219021728.db2.gz	KSDBKINHRDIVCK-GFCCVEGCSA-N	1	2	344.379	-1.083	50	30		EAEALO
CCC#CC[N@@H+]1CCN(C(=O)c2cc(-n3cnnn3)[nH]n2)C[C@H](O)C1	ZINC000097402508	219021726	/nfs/dbraw/zinc/02/17/26/219021726.db2.gz	KSDBKINHRDIVCK-GFCCVEGCSA-N	1	2	344.379	-1.083	50	30		EAEALO
CCC#CC[N@H+]1CCN(C(=O)c2cc(-n3cnnn3)[nH]n2)C[C@@H](O)C1	ZINC000097402509	219021475	/nfs/dbraw/zinc/02/14/75/219021475.db2.gz	KSDBKINHRDIVCK-LBPRGKRZSA-N	1	2	344.379	-1.083	50	30		EAEALO
CCC#CC[N@@H+]1CCN(C(=O)c2cc(-n3cnnn3)[nH]n2)C[C@@H](O)C1	ZINC000097402509	219021472	/nfs/dbraw/zinc/02/14/72/219021472.db2.gz	KSDBKINHRDIVCK-LBPRGKRZSA-N	1	2	344.379	-1.083	50	30		EAEALO