smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cnc(N2CCc3[nH+]cc(CN4CCCC4)n3CC2)c(S(=O)(=O)F)c1	ZINC001164740265	720595148	/nfs/dbraw/zinc/59/51/48/720595148.db2.gz	IFLGPPSOEUWMGX-UHFFFAOYSA-N	1	2	437.497	1.381	20	70		IDIDLO
COC(=O)c1cnc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001164762687	721246097	/nfs/dbraw/zinc/24/60/97/721246097.db2.gz	LHEMLAIEOCLGCG-ZBFHGGJFSA-N	1	2	437.497	1.218	20	70		IDIDLO
COC(=O)c1cnc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001164762687	721246103	/nfs/dbraw/zinc/24/61/03/721246103.db2.gz	LHEMLAIEOCLGCG-ZBFHGGJFSA-N	1	2	437.497	1.218	20	70		IDIDLO
COC(=O)c1cnc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001164762661	721244669	/nfs/dbraw/zinc/24/46/69/721244669.db2.gz	LHEMLAIEOCLGCG-GDBMZVCRSA-N	1	2	437.497	1.218	20	70		IDIDLO
COC(=O)c1cnc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001164762661	721244675	/nfs/dbraw/zinc/24/46/75/721244675.db2.gz	LHEMLAIEOCLGCG-GDBMZVCRSA-N	1	2	437.497	1.218	20	70		IDIDLO
COC(=O)c1cnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001164762671	721244997	/nfs/dbraw/zinc/24/49/97/721244997.db2.gz	LHEMLAIEOCLGCG-GOEBONIOSA-N	1	2	437.497	1.218	20	70		IDIDLO
COC(=O)c1cnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001164762671	721245001	/nfs/dbraw/zinc/24/50/01/721245001.db2.gz	LHEMLAIEOCLGCG-GOEBONIOSA-N	1	2	437.497	1.218	20	70		IDIDLO
COC(=O)c1cnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001164762679	721245684	/nfs/dbraw/zinc/24/56/84/721245684.db2.gz	LHEMLAIEOCLGCG-HOCLYGCPSA-N	1	2	437.497	1.218	20	70		IDIDLO
COC(=O)c1cnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001164762679	721245693	/nfs/dbraw/zinc/24/56/93/721245693.db2.gz	LHEMLAIEOCLGCG-HOCLYGCPSA-N	1	2	437.497	1.218	20	70		IDIDLO
COC(=O)c1cnc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c(S(=O)(=O)F)c1	ZINC001164919722	721821543	/nfs/dbraw/zinc/82/15/43/721821543.db2.gz	UXRBHOSAJIEKEZ-UHFFFAOYSA-N	1	2	437.497	1.472	20	70		IDIDLO