smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])c1ccc([O-])c(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1	ZINC000003873901	562939222	/nfs/dbraw/zinc/93/92/22/562939222.db2.gz	PQJGWYQPOHCEDO-ZDUSSCGKSA-N	0	1	445.526	1.365	1	10	in-vivo	IDCFMN
[NH3+][C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nccs3)CC[C@H]12)c1ccccc1	ZINC000026375519	563031035	/nfs/dbraw/zinc/03/10/35/563031035.db2.gz	HIKURAROBRQBMK-BNOWGMLFSA-N	0	1	430.511	1.721	1	10		IDCFMN
NC(=[NH2+])c1ccc([O-])c(CN2CC[C@H](NS(=O)(=O)c3cc4ccncc4s3)C2=O)c1	ZINC000003941833	562939603	/nfs/dbraw/zinc/93/96/03/562939603.db2.gz	WCGRPZYMHYKYHQ-AWEZNQCLSA-N	0	1	445.526	1.365	1	10		IDCFMN
CN(C)CCN(C)c1ccc(NCC[N+](C)(C)[O-])c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000040576776	563105380	/nfs/dbraw/zinc/10/53/80/563105380.db2.gz	BFSHANDYLQUWJL-UHFFFAOYSA-N	0	1	442.516	1.857	1	10		IDCFMN
N#[N+]C=C([O-])Cc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1	ZINC000084742053	563179169	/nfs/dbraw/zinc/17/91/69/563179169.db2.gz	NLNWZEDACVHLDD-UHFFFAOYSA-N	0	1	442.497	1.742	1	10		IDCFMN
O=C1NC(=O)C(=Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)C(=O)N1	ZINC000015935005	563018503	/nfs/dbraw/zinc/01/85/03/563018503.db2.gz	FUQZTISWJHEKKX-UHFFFAOYSA-N	0	1	431.426	1.557	3	10		IDCFMN
NC(=[NH2+])c1ccc([O-])c(CN2CC[C@H](NS(=O)(=O)c3cc4cnccc4s3)C2=O)c1	ZINC000026652306	563034682	/nfs/dbraw/zinc/03/46/82/563034682.db2.gz	AWWJKLUXUPMJND-AWEZNQCLSA-N	0	1	445.526	1.365	1	10		IDCFMN
COc1cccc2c1ccc1nc3cccc(C(=O)NCCN(CCO)CCO)c3nc12	ZINC000027770067	563047215	/nfs/dbraw/zinc/04/72/15/563047215.db2.gz	UZAPAQIOPCBKLZ-UHFFFAOYSA-N	0	1	434.496	1.961	1	10		IDCFMN
Cn1nc(C(N)=O)c2c1-c1nc(NCc3ccc(N4CCN(C)CC4)cc3)ncc1CC2	ZINC000045365759	563133043	/nfs/dbraw/zinc/13/30/43/563133043.db2.gz	ZSLYROBAKCGLGA-UHFFFAOYSA-N	0	1	432.532	1.439	1	10		IDCFMN
NC(=[NH2+])c1ccc([O-])c(CN2CC[C@@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1	ZINC000002022415	581100972	/nfs/dbraw/zinc/10/09/72/581100972.db2.gz	PQJGWYQPOHCEDO-CYBMUJFWSA-N	0	1	445.526	1.365	1	10		IDCFMN
CN(C)c1ccc(/C=c2\[n-]c(=O)/c(=C/c3ccc(SCC[NH+](C)C)s3)[nH]c2=O)cc1	ZINC000026576872	563033811	/nfs/dbraw/zinc/03/38/11/563033811.db2.gz	YKNWTTHWRGEQLE-SXQSXHJWSA-N	0	1	442.610	1.502	1	10		IDCFMN