smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(c2cnn([C@H]3CCCN(CC(=O)NCc4ccco4)C3)c(=O)c2)CC1	ZINC000328603948	569417252	/nfs/dbraw/zinc/41/72/52/569417252.db2.gz	HSJPYZSTSOVCMW-KRWDZBQOSA-N	0	1	414.510	1.382	10	30		HDEEMN
CN1CCN(c2cnn([C@@H]3CCCN(CC(=O)NCc4ccco4)C3)c(=O)c2)CC1	ZINC000328603949	569417244	/nfs/dbraw/zinc/41/72/44/569417244.db2.gz	HSJPYZSTSOVCMW-QGZVFWFLSA-N	0	1	414.510	1.382	10	30		HDEEMN
C/C(Cl)=C/Cn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000033909833	518476856	/nfs/dbraw/zinc/47/68/56/518476856.db2.gz	PPTYIGKHTOOGDJ-SXWKSSHOSA-N	0	1	417.813	1.920	10	30		HDEEMN
CN1CCN(c2cnn([C@@H]3CCCN(C(=O)c4sccc4C#N)C3)c(=O)c2)CC1	ZINC000583621473	560777084	/nfs/dbraw/zinc/77/70/84/560777084.db2.gz	QGCJHRPVJHZLPT-MRXNPFEDSA-N	0	1	412.519	1.406	10	30		HDEEMN
CCCn1c(NN=Cc2ccc(Br)cc2O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000008892074	557813207	/nfs/dbraw/zinc/81/32/07/557813207.db2.gz	AWGLJSFCIUSYKB-QGMBQPNBSA-N	0	1	421.255	1.747	10	30		HDEEMN
NS(=O)(=O)c1ccc([N-][NH+]=Cc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1	ZINC000009090950	527314388	/nfs/dbraw/zinc/31/43/88/527314388.db2.gz	PTBDNLPVAGGXCC-XDHOZWIPSA-N	0	1	405.436	1.525	10	30		HDEEMN
C=CCn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000048523179	519196273	/nfs/dbraw/zinc/19/62/73/519196273.db2.gz	MGEKJGAJAFREEP-LSCVHKIXSA-N	0	1	419.239	1.523	10	30		HDEEMN
CN1CCN(c2cnn([C@H]3CCCN(C(=O)c4sccc4C#N)C3)c(=O)c2)CC1	ZINC000583621472	560777054	/nfs/dbraw/zinc/77/70/54/560777054.db2.gz	QGCJHRPVJHZLPT-INIZCTEOSA-N	0	1	412.519	1.406	10	30		HDEEMN