smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(S(=O)(=O)[N-]C[C@@H](C)CN2CCOCC2)cn1C	ZINC000160361718	378294659	/nfs/dbraw/zinc/29/46/59/378294659.db2.gz	PZSMQITYRRPSCA-LLVKDONJSA-N	-1	3	316.427	-0.025	20	70		DBIDHM
CCNC(=O)CN1CCN(Cc2nc(CC)cc(=O)[n-]2)CC1	ZINC000160737945	392858022	/nfs/dbraw/zinc/85/80/22/392858022.db2.gz	VRQSXRKJNAZXNI-UHFFFAOYSA-N	-1	3	307.398	-0.002	20	70		DBIDHM
CCc1cc(=O)[n-]c(CN2CCN(S(C)(=O)=O)CC2)n1	ZINC000160597243	523832527	/nfs/dbraw/zinc/83/25/27/523832527.db2.gz	FMAAZALCENUZBU-UHFFFAOYSA-N	-1	3	300.384	-0.178	20	70		DBIDHM
O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NC1(CO)CC1	ZINC000160220311	375373459	/nfs/dbraw/zinc/37/34/59/375373459.db2.gz	ZHOQOYAGGDCEGE-UHFFFAOYSA-N	-1	3	303.318	-0.279	20	70		DBIDHM
C[C@H](CO)N(C)C(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000160379691	524534263	/nfs/dbraw/zinc/53/42/63/524534263.db2.gz	HIBSVMBNDRROBQ-SNVBAGLBSA-N	-1	3	305.334	-0.081	20	70		DBIDHM
C[C@@H](CO)N(C)C(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000160379615	524781456	/nfs/dbraw/zinc/78/14/56/524781456.db2.gz	HIBSVMBNDRROBQ-JTQLQIEISA-N	-1	3	305.334	-0.081	20	70		DBIDHM
Cc1nc(S(=O)(=O)[N-]C[C@H](O)COCC2CC2)cn1C	ZINC000160692872	534518425	/nfs/dbraw/zinc/51/84/25/534518425.db2.gz	RXAFATMWXSETGJ-NSHDSACASA-N	-1	3	303.384	-0.206	20	70		DBIDHM
Cc1nc(S(=O)(=O)[N-]C[C@H](C)CN2CCOCC2)cn1C	ZINC000160361836	378294845	/nfs/dbraw/zinc/29/48/45/378294845.db2.gz	PZSMQITYRRPSCA-NSHDSACASA-N	-1	3	316.427	-0.025	20	70		DBIDHM
Cc1nc(S(=O)(=O)[N-]C[C@@H](O)COCC2CC2)cn1C	ZINC000160693015	534518345	/nfs/dbraw/zinc/51/83/45/534518345.db2.gz	RXAFATMWXSETGJ-LLVKDONJSA-N	-1	3	303.384	-0.206	20	70		DBIDHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCN(CC(F)(F)F)CC1	ZINC000159949470	527137633	/nfs/dbraw/zinc/13/76/33/527137633.db2.gz	YURHOSKPTQIAQX-QMMMGPOBSA-N	-1	3	322.287	-0.319	20	70		DBIDHM