smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](CO)[N-]C(=O)C(F)(F)C(F)F	ZINC000217850886	592150733	/nfs/dbraw/zinc/15/07/33/592150733.db2.gz	GFJYGHYKMPOPFN-BYPYZUCNSA-N	-1	1	217.162	0.774	20	70		BCIDMM
CN1C[C@H](C(=O)[N-]OCc2cccnc2)CC1=O	ZINC000160782095	173191557	/nfs/dbraw/zinc/19/15/57/173191557.db2.gz	PRANYSMERTYQBT-SNVBAGLBSA-N	-1	1	249.270	0.108	20	70		BCIDMM
O=C(CNC(=O)c1ncccc1[O-])NCC1CC1	ZINC000161416751	385018495	/nfs/dbraw/zinc/01/84/95/385018495.db2.gz	BCIPITFPWPGXNQ-UHFFFAOYSA-N	-1	1	249.270	0.043	20	70		BCIDMM
C[C@H](CO)N(C)c1cc(Cl)[n-]c(=O)n1	ZINC000218281260	582716739	/nfs/dbraw/zinc/71/67/39/582716739.db2.gz	JAHVMNLMQSLVNQ-RXMQYKEDSA-N	-1	1	217.656	0.240	20	70		BCIDMM
O=C(C(=O)N1CC[C@H](O)C1)c1ccc([O-])cc1	ZINC000217345199	350050192	/nfs/dbraw/zinc/05/01/92/350050192.db2.gz	UFDGTCYEXONXCZ-JTQLQIEISA-N	-1	1	235.239	0.168	20	70		BCIDMM
CN1C[C@@H](C(=O)[N-]OCc2cccnc2)CC1=O	ZINC000160782230	173180918	/nfs/dbraw/zinc/18/09/18/173180918.db2.gz	PRANYSMERTYQBT-JTQLQIEISA-N	-1	1	249.270	0.108	20	70		BCIDMM
O=C(C(=O)N1CCC(O)CC1)c1ccc([O-])cc1	ZINC000217345754	363126040	/nfs/dbraw/zinc/12/60/40/363126040.db2.gz	RVJMZINVHWEYKH-UHFFFAOYSA-N	-1	1	249.266	0.558	20	70		BCIDMM
CCc1cc(=O)[nH]c(CN2CCN(C)CC2)n1	ZINC000160461492	384414313	/nfs/dbraw/zinc/41/43/13/384414313.db2.gz	IFSTUSFBZJSRTH-UHFFFAOYSA-N	-1	1	236.319	0.492	20	70		BCIDMM
C[C@]1(NC(=O)c2cncc([O-])c2)CCOC1	ZINC000160754230	384432868	/nfs/dbraw/zinc/43/28/68/384432868.db2.gz	PHGJPTYGGJZCQJ-NSHDSACASA-N	-1	1	222.244	0.696	20	70		BCIDMM
CNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000159577538	323038334	/nfs/dbraw/zinc/03/83/34/323038334.db2.gz	WCSOSKTZFCGPII-UHFFFAOYSA-N	-1	1	248.286	0.730	20	70		BCIDMM
CC(=O)N[C@@H](C)C(=O)Nc1ccncc1[O-]	ZINC000159735557	345506944	/nfs/dbraw/zinc/50/69/44/345506944.db2.gz	JMGMASYJTCJTEF-LURJTMIESA-N	-1	1	223.232	0.250	20	70		BCIDMM
O=C([O-])N[C@@H]1CCN(Cc2cccnc2)C1	ZINC000217394861	592106294	/nfs/dbraw/zinc/10/62/94/592106294.db2.gz	NPGCSCXSJLXJMJ-SNVBAGLBSA-N	-1	1	221.260	0.924	20	70		BCIDMM
C[C@@H](CO)N(C)c1cc(Cl)[n-]c(=O)n1	ZINC000218281218	592153032	/nfs/dbraw/zinc/15/30/32/592153032.db2.gz	JAHVMNLMQSLVNQ-YFKPBYRVSA-N	-1	1	217.656	0.240	20	70		BCIDMM
O=C([N-]C1(CO)CC1)C(F)(F)C(F)F	ZINC000218163045	592152314	/nfs/dbraw/zinc/15/23/14/592152314.db2.gz	PDRWPANJFXANHD-UHFFFAOYSA-N	-1	1	215.146	0.528	20	70		BCIDMM
O=C(C(=O)N1CC[C@@H](O)C1)c1ccc([O-])cc1	ZINC000217345272	350050313	/nfs/dbraw/zinc/05/03/13/350050313.db2.gz	UFDGTCYEXONXCZ-SNVBAGLBSA-N	-1	1	235.239	0.168	20	70		BCIDMM
C[C@@]1(NC(=O)c2cncc([O-])c2)CCOC1	ZINC000160754355	384434961	/nfs/dbraw/zinc/43/49/61/384434961.db2.gz	PHGJPTYGGJZCQJ-LLVKDONJSA-N	-1	1	222.244	0.696	20	70		BCIDMM
CC(=O)N[C@H](C)C(=O)Nc1ccncc1[O-]	ZINC000159735683	345506541	/nfs/dbraw/zinc/50/65/41/345506541.db2.gz	JMGMASYJTCJTEF-ZCFIWIBFSA-N	-1	1	223.232	0.250	20	70		BCIDMM