smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(Nc3cccc4ccccc43)S[C@@H]21	ZINC000020504128	526318802	/nfs/dbraw/zinc/31/88/02/526318802.db2.gz	FZNDUAQRMCRXEC-WFMNFSIZSA-N	1	2	470.595	1.091	10	30		JDEELO
COc1ccc(-n2c(=O)/c(=C\c3cccs3)s/c2=C(/C#N)C(=O)N2CC[NH+](C)CC2)cc1	ZINC000009661867	194857079	/nfs/dbraw/zinc/85/70/79/194857079.db2.gz	CNRZNTIEGRHJGU-PLZCPHGYSA-N	1	2	466.588	1.246	10	30		JDEELO
Cc1ccnc(NS(=O)(=O)c2ccc(NC3=CC(=O)C(=NNC(N)=[NH2+])c4ccccc43)cc2)n1	ZINC000106417496	569854188	/nfs/dbraw/zinc/85/41/88/569854188.db2.gz	INJGAFYTGQKNKA-VFCFBJKWSA-N	1	2	476.522	1.809	10	30		JDEELO
O=S(=O)(c1ccc(NC(=S)N/[NH+]=C/c2ccc(N3CCOCC3)cc2)cc1)N1CCOCC1	ZINC000003253419	194252409	/nfs/dbraw/zinc/25/24/09/194252409.db2.gz	BKHVHXZYQFWWFF-HAVVHWLPSA-N	1	2	489.623	1.865	10	30		JDEELO
CN(C)c1ccc(C=[NH+]Nc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000033335092	522134861	/nfs/dbraw/zinc/13/48/61/522134861.db2.gz	HVENDNPZOUKWAC-FMCGGJTJSA-N	1	2	462.470	1.892	10	30		JDEELO
C=CC[NH+]1CCN(C(=O)C2CCN(c3nc(NC(C)=O)c(C(=O)N4CCCC4)s3)CC2)CC1	ZINC000033298285	518859585	/nfs/dbraw/zinc/85/95/85/518859585.db2.gz	KWPRYVJULJQPOK-UHFFFAOYSA-N	1	2	474.631	1.884	10	30		JDEELO