smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1[nH]nc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-]	ZINC000439447729	1067731561	/nfs/dbraw/zinc/73/15/61/1067731561.db2.gz	FTDHIEJZCWACHS-LLVKDONJSA-N	0	1	428.471	-1.059	20	5		IABDMN
CCc1[nH]nc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-]	ZINC000439447731	1067731669	/nfs/dbraw/zinc/73/16/69/1067731669.db2.gz	FTDHIEJZCWACHS-NSHDSACASA-N	0	1	428.471	-1.059	20	5		IABDMN
CN(C)CCNS(=O)(=O)c1ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000490092010	1067869420	/nfs/dbraw/zinc/86/94/20/1067869420.db2.gz	IVBWTDOPSWUCMD-GFCCVEGCSA-N	0	1	440.482	-1.418	20	5		IABDMN
CN(C)CCNS(=O)(=O)c1ccc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000490092011	1067869581	/nfs/dbraw/zinc/86/95/81/1067869581.db2.gz	IVBWTDOPSWUCMD-LBPRGKRZSA-N	0	1	440.482	-1.418	20	5		IABDMN
COc1nc(-n2cncc2C[C@H](N)C(=O)N2CCC[C@H]2C(N)=O)nc(OC)c1[N+](=O)[O-]	ZINC001162844095	1068392667	/nfs/dbraw/zinc/39/26/67/1068392667.db2.gz	CNCJGRKAGUAEHV-QWRGUYRKSA-N	0	1	434.413	-1.066	20	5		IABDMN
NCC(=O)NCC(=O)NCC(=O)NCC(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2	ZINC001219255529	1068411786	/nfs/dbraw/zinc/41/17/86/1068411786.db2.gz	DDEHVGGIVMTLEB-UHFFFAOYSA-N	0	1	438.444	-1.364	20	5		IABDMN