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(N2CCc3ncc(CN4CCCC4)n3CC2)c(S(=O)(=O)F)c1	ZINC001164740265	720595133	/nfs/dbraw/zinc/59/51/33/720595133.db2.gz	IFLGPPSOEUWMGX-UHFFFAOYSA-N	0	0	437.497	1.381	20	70		IDIDRN
COC(=O)c1cnc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001164762687	721246094	/nfs/dbraw/zinc/24/60/94/721246094.db2.gz	LHEMLAIEOCLGCG-ZBFHGGJFSA-N	0	0	437.497	1.218	20	70		IDIDRN
Cc1nc(CN2CCO[C@H]3CCN(c4ccc(S(=O)(=O)F)nn4)CC[C@H]32)cs1	ZINC001164992275	722185305	/nfs/dbraw/zinc/18/53/05/722185305.db2.gz	VSERIBAQTLWHDJ-CABCVRRESA-N	0	0	427.527	1.770	20	70		IDIDRN
COC(=O)c1cnc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001164762661	721244662	/nfs/dbraw/zinc/24/46/62/721244662.db2.gz	LHEMLAIEOCLGCG-GDBMZVCRSA-N	0	0	437.497	1.218	20	70		IDIDRN
COC(=O)c1cnc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001164762671	721244990	/nfs/dbraw/zinc/24/49/90/721244990.db2.gz	LHEMLAIEOCLGCG-GOEBONIOSA-N	0	0	437.497	1.218	20	70		IDIDRN
COC(=O)c1cnc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001164762679	721245674	/nfs/dbraw/zinc/24/56/74/721245674.db2.gz	LHEMLAIEOCLGCG-HOCLYGCPSA-N	0	0	437.497	1.218	20	70		IDIDRN
COC(=O)c1cnc(N2CCCn3c(CN(C)C(C)C)nnc3C2)c(S(=O)(=O)F)c1	ZINC001165011457	721722469	/nfs/dbraw/zinc/72/24/69/721722469.db2.gz	QLIDVZAZSIQYDR-UHFFFAOYSA-N	0	0	440.501	1.368	20	70		IDIDRN
COC(=O)c1cnc(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001164783121	721438265	/nfs/dbraw/zinc/43/82/65/721438265.db2.gz	MPBYOBPDTPPNPL-STQMWFEESA-N	0	0	426.495	1.551	20	70		IDIDRN
Cc1nc(CN2CCO[C@H]3CCN(c4ccc(S(=O)(=O)F)nn4)CC[C@@H]32)cs1	ZINC001164992288	722185301	/nfs/dbraw/zinc/18/53/01/722185301.db2.gz	VSERIBAQTLWHDJ-GJZGRUSLSA-N	0	0	427.527	1.770	20	70		IDIDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(S(=O)(=O)F)nn4)CC[C@H]32)cs1	ZINC001164992290	722185351	/nfs/dbraw/zinc/18/53/51/722185351.db2.gz	VSERIBAQTLWHDJ-HUUCEWRRSA-N	0	0	427.527	1.770	20	70		IDIDRN
COC(=O)c1cnc(N2CCCC23CCN(CC(=O)N(C)C)CC3)c(S(=O)(=O)F)c1	ZINC001165012273	721750776	/nfs/dbraw/zinc/75/07/76/721750776.db2.gz	FCUXKMSRCOHQND-UHFFFAOYSA-N	0	0	442.513	1.049	20	70		IDIDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(S(=O)(=O)F)nn4)CC[C@@H]32)cs1	ZINC001164992292	722185319	/nfs/dbraw/zinc/18/53/19/722185319.db2.gz	VSERIBAQTLWHDJ-LSDHHAIUSA-N	0	0	427.527	1.770	20	70		IDIDRN
COC(=O)c1cnc(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)c(S(=O)(=O)F)c1	ZINC001164655797	719318075	/nfs/dbraw/zinc/31/80/75/719318075.db2.gz	YOXXQJOAVHCUGV-UHFFFAOYSA-N	0	0	439.513	1.928	20	70		IDIDRN
Cc1cc(S(=O)(=O)F)cnc1N1CCO[C@]2(C1)COCCN(Cc1cccnc1)C2	ZINC001164914401	721801464	/nfs/dbraw/zinc/80/14/64/721801464.db2.gz	MTTRLKQHPJFVEF-HXUWFJFHSA-N	0	0	436.509	1.551	20	70		IDIDRN
Cc1nc(CN2CCOC[C@]3(CN(c4ccc(S(=O)(=O)F)nn4)CCO3)C2)cs1	ZINC001164922205	721832366	/nfs/dbraw/zinc/83/23/66/721832366.db2.gz	NGHMVBVLHXXLRC-QGZVFWFLSA-N	0	0	443.526	1.008	20	70		IDIDRN
COC(=O)c1cnc(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001164783115	721438476	/nfs/dbraw/zinc/43/84/76/721438476.db2.gz	MPBYOBPDTPPNPL-BETUJISGSA-N	0	0	426.495	1.551	20	70		IDIDRN
Cc1cc(S(=O)(=O)F)cnc1N1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2	ZINC001164914392	721801344	/nfs/dbraw/zinc/80/13/44/721801344.db2.gz	MTTRLKQHPJFVEF-FQEVSTJZSA-N	0	0	436.509	1.551	20	70		IDIDRN
Cc1nc(CN2CCOC[C@@]3(CN(c4cc(S(=O)(=O)F)ccn4)CCO3)C2)cs1	ZINC001164922230	721834611	/nfs/dbraw/zinc/83/46/11/721834611.db2.gz	GGLNEGVOFJGJNO-SFHVURJKSA-N	0	0	442.538	1.613	20	70		IDIDRN
Cc1nc(CN2CCOC[C@@]3(CN(c4ccc(S(=O)(=O)F)nn4)CCO3)C2)cs1	ZINC001164922195	721832371	/nfs/dbraw/zinc/83/23/71/721832371.db2.gz	NGHMVBVLHXXLRC-KRWDZBQOSA-N	0	0	443.526	1.008	20	70		IDIDRN
COC(=O)c1cnc(N2CCC3(CC2)c2ncc(C)n2CCN3C)c(S(=O)(=O)F)c1	ZINC001164919722	721821541	/nfs/dbraw/zinc/82/15/41/721821541.db2.gz	UXRBHOSAJIEKEZ-UHFFFAOYSA-N	0	0	437.497	1.472	20	70		IDIDRN
Cc1nc(CN2CCOC[C@]3(CN(c4cc(S(=O)(=O)F)ccn4)CCO3)C2)cs1	ZINC001164922228	721834770	/nfs/dbraw/zinc/83/47/70/721834770.db2.gz	GGLNEGVOFJGJNO-GOSISDBHSA-N	0	0	442.538	1.613	20	70		IDIDRN
COC(=O)c1cnc(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001164783118	721438491	/nfs/dbraw/zinc/43/84/91/721438491.db2.gz	MPBYOBPDTPPNPL-CHWSQXEVSA-N	0	0	426.495	1.551	20	70		IDIDRN