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]([N-]S(=O)(=O)c3cc4ccnc(Cl)c4s3)C2=O)c1	ZINC000026663294	563032892	/nfs/dbraw/zinc/03/28/92/563032892.db2.gz	QWKBVYMYRJYVKE-ZDUSSCGKSA-N	-1	3	479.971	2.019	1	10		JECFHM
NC(=[NH2+])c1ccc([O-])c(CN2CC[C@H]([N-]S(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1	ZINC000026658440	563032615	/nfs/dbraw/zinc/03/26/15/563032615.db2.gz	OMACGBWDDJLXNR-LBPRGKRZSA-N	-1	3	479.971	2.019	1	10		JECFHM
NC(=[NH2+])c1ccc([O-])c(CN2CC[C@H]([N-]S(=O)(=O)c3cc4c(ccnc4Cl)s3)C2=O)c1	ZINC000026661281	563032842	/nfs/dbraw/zinc/03/28/42/563032842.db2.gz	QPVGKMPHENKIGO-ZDUSSCGKSA-N	-1	3	479.971	2.019	1	10		JECFHM
CCN(CC)CC(=O)Nc1ccc(NC(=O)CN(CC)CC)c2c1C(=O)c1c([O-])ccc(O)c1C2=O	ZINC000027745972	563051156	/nfs/dbraw/zinc/05/11/56/563051156.db2.gz	JYUXPVMJLJFJBW-UHFFFAOYSA-N	-1	3	496.564	2.434	1	10		JECFHM
O=C(/C=C/c1ccc(Cl)cc1)N1CCN(CCCNC(=O)c2cc(O)c([O-])c(O)c2)CC1	ZINC000058581478	563207766	/nfs/dbraw/zinc/20/77/66/563207766.db2.gz	YWVSPIGQVJXOQY-QPJJXVBHSA-N	-1	3	459.930	2.434	1	10		JECFHM
CCC[C@@]1(C(=O)[O-])[NH2+][C@H](c2ccc(OC)cc2[O-])[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21	ZINC000012469564	520947537	/nfs/dbraw/zinc/94/75/37/520947537.db2.gz	RLSPUGROUIKIDX-UECWXEIQSA-N	-1	3	454.479	2.483	1	10		JECFHM
O=C1c2c(ccc(O)c2[O-])CN1N(S(=O)(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1	ZINC000028966962	563089463	/nfs/dbraw/zinc/08/94/63/563089463.db2.gz	IVUIJNADPLDCOE-UHFFFAOYSA-N	-1	3	496.469	2.327	1	10		JECFHM
COc1ccc(N2CCN(CCC[N-]S(=O)(=O)c3c(C)noc3/C=C/N(C)C)CC2)cc1	ZINC000059727171	563209193	/nfs/dbraw/zinc/20/91/93/563209193.db2.gz	CVFNZNIPHCSOQB-JLHYYAGUSA-N	-1	3	463.604	2.015	3	10		JECFHM
O=C(/C=C/c1ccccc1Cl)N1CCN(CCCNC(=O)c2cc(O)c([O-])c(O)c2)CC1	ZINC000058591025	563208121	/nfs/dbraw/zinc/20/81/21/563208121.db2.gz	ZAGDTSBTYNGUEB-VOTSOKGWSA-N	-1	3	459.930	2.434	1	10		JECFHM