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(OCCCl)N1CCc2nc(Cl)nc(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)c2C1	ZINC001164785445	721401740	/nfs/dbraw/zinc/40/17/40/721401740.db2.gz	LUZIPTWIGMELBN-KBPBESRZSA-N	0	0	483.425	2.888	20	50		JFGDRN
Cc1cnc2n1CCN(C)C21CCN(c2nc(Cl)nc3c2CN(C(=O)OCCCl)CC3)CC1	ZINC001164916461	721814107	/nfs/dbraw/zinc/81/41/07/721814107.db2.gz	DXXZLJBSICFCEN-UHFFFAOYSA-N	0	0	494.427	2.810	20	50		JFGDRN
O=C(OCCCl)N1CCc2nc(Cl)nc(N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)c2C1	ZINC001164785569	721401774	/nfs/dbraw/zinc/40/17/74/721401774.db2.gz	LUZIPTWIGMELBN-ZIAGYGMSSA-N	0	0	483.425	2.888	20	50		JFGDRN
CC(C)N(C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1CN(C(=O)OCCCl)CC3)C2	ZINC001165009539	721700454	/nfs/dbraw/zinc/70/04/54/721700454.db2.gz	AUPFAVHQPXPLPU-UHFFFAOYSA-N	0	0	497.431	2.706	20	50		JFGDRN
O=C(OCCCl)N1CCc2nc(Cl)nc(N3CCN(CCc4ccccn4)CC3)c2C1	ZINC001165053569	722010810	/nfs/dbraw/zinc/01/08/10/722010810.db2.gz	KBLXORBOZHHFHA-UHFFFAOYSA-N	0	0	465.385	2.623	20	50		JFGDRN
O=C(OCCCl)N1CCc2nc(Cl)nc(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c2C1	ZINC001164785566	721401650	/nfs/dbraw/zinc/40/16/50/721401650.db2.gz	LUZIPTWIGMELBN-OKILXGFUSA-N	0	0	483.425	2.888	20	50		JFGDRN