smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC=C(O)NC(N)=[NH2+]	ZINC000027186852	563040267	/nfs/dbraw/zinc/04/02/67/563040267.db2.gz	OXDRFONWQWAZND-UHFFFAOYSA-N	1	2	448.505	-0.595	1	30		IBEFLO
Cn1cnc(S(=O)(=O)N[C@@H]2Cc3cc(C#N)cnc3N(Cc3c[nH+]cn3C)C2=O)c1	ZINC000029128370	563075101	/nfs/dbraw/zinc/07/51/01/563075101.db2.gz	TWWWCMBUIYZHRH-OAHLLOKOSA-N	1	2	426.462	-0.143	1	30		IBEFLO
Cn1cnc(S(=O)(=O)N[C@H]2Cc3cc(C#N)cnc3N(Cc3c[nH+]cn3C)C2=O)c1	ZINC000029128371	563075147	/nfs/dbraw/zinc/07/51/47/563075147.db2.gz	TWWWCMBUIYZHRH-HNNXBMFYSA-N	1	2	426.462	-0.143	1	30		IBEFLO
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH2+]C[C@@H]([NH3+])CS)[C@@H](C)CC)C(=O)N[C@@H](CCO)C(=O)[O-]	ZINC000036330473	563092862	/nfs/dbraw/zinc/09/28/62/563092862.db2.gz	NJTSSBCQLOFUHQ-IATJYDTKSA-N	1	2	434.603	-0.270	1	30		IBEFLO
N#Cc1ccc(NC(=O)C[NH+]2CCC(N(N)CC(=O)N3CSC[C@H]3C#N)CC2)nc1	ZINC000049018228	563135509	/nfs/dbraw/zinc/13/55/09/563135509.db2.gz	AACWENFRCBQJKI-MRXNPFEDSA-N	1	2	428.522	-0.043	1	30		IBEFLO