smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000004217500	557529634	/nfs/dbraw/zinc/52/96/34/557529634.db2.gz	LQZAIAZUDWIVPM-SRVKXCTJSA-N	1	2	405.415	-2.146	50	0	in-man	HAAALO
CN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O	ZINC000004217500	557529632	/nfs/dbraw/zinc/52/96/32/557529632.db2.gz	LQZAIAZUDWIVPM-SRVKXCTJSA-N	1	2	405.415	-2.146	50	0	in-man	HAAALO
Cn1c2ncn(CC(=O)NCc3ccc(N4CCOCC4)[nH+]c3)c2c(=O)n(C)c1=O	ZINC000010989580	132346926	/nfs/dbraw/zinc/34/69/26/132346926.db2.gz	LHMPWSITBKWMQD-UHFFFAOYSA-N	1	2	413.438	-1.018	50	0		HAAALO
NC(=O)CN1CCC[N@@H+](CC(N)=O)CCN(CC(N)=O)CCN(CC(N)=O)CC1	ZINC000022035132	558459227	/nfs/dbraw/zinc/45/92/27/558459227.db2.gz	MLMFTXKJFAATEO-UHFFFAOYSA-N	1	2	414.511	-4.461	50	0		HAAALO
NC(=O)CN1CCC[N@H+](CC(N)=O)CCN(CC(N)=O)CCN(CC(N)=O)CC1	ZINC000022035132	558459225	/nfs/dbraw/zinc/45/92/25/558459225.db2.gz	MLMFTXKJFAATEO-UHFFFAOYSA-N	1	2	414.511	-4.461	50	0		HAAALO
C[C@H](C(=O)NC1CC1)N1CC[NH+](CC(=O)N2CCN(S(C)(=O)=O)CC2)CC1	ZINC000022474650	568486505	/nfs/dbraw/zinc/48/65/05/568486505.db2.gz	QNBOOMPWCUMEQM-CQSZACIVSA-N	1	2	401.533	-1.625	50	0		HAAALO
C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC(=O)N2CCN(S(C)(=O)=O)CC2)CC1	ZINC000022474650	568486504	/nfs/dbraw/zinc/48/65/04/568486504.db2.gz	QNBOOMPWCUMEQM-CQSZACIVSA-N	1	2	401.533	-1.625	50	0		HAAALO
C[C@@H](C(=O)NC1CC1)N1CC[NH+](CC(=O)N2CCN(S(C)(=O)=O)CC2)CC1	ZINC000022474652	568768794	/nfs/dbraw/zinc/76/87/94/568768794.db2.gz	QNBOOMPWCUMEQM-AWEZNQCLSA-N	1	2	401.533	-1.625	50	0		HAAALO
C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC(=O)N2CCN(S(C)(=O)=O)CC2)CC1	ZINC000022474652	568768792	/nfs/dbraw/zinc/76/87/92/568768792.db2.gz	QNBOOMPWCUMEQM-AWEZNQCLSA-N	1	2	401.533	-1.625	50	0		HAAALO
Cn1cc(S(=O)(=O)N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)c(=O)n(C)c1=O	ZINC000022531130	558497069	/nfs/dbraw/zinc/49/70/69/558497069.db2.gz	OQOUGTNYWGBJLT-UHFFFAOYSA-N	1	2	415.516	-1.305	50	0		HAAALO
Cn1cc(S(=O)(=O)N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)c(=O)n(C)c1=O	ZINC000022531130	558497065	/nfs/dbraw/zinc/49/70/65/558497065.db2.gz	OQOUGTNYWGBJLT-UHFFFAOYSA-N	1	2	415.516	-1.305	50	0		HAAALO
Cc1c(C)n2c(nc3c2c(=O)n(CC(N)=O)c(=O)n3C)n1CC[NH+]1CCOCC1	ZINC000022615634	559017018	/nfs/dbraw/zinc/01/70/18/559017018.db2.gz	CKXLYPCOOZJBNS-UHFFFAOYSA-N	1	2	403.443	-1.416	50	0		HAAALO
CCn1c(=O)cc(C(=O)NCC[NH+]2CCOCC2)c2c(=O)n(CC)c(=O)n(C)c21	ZINC000035422330	569036229	/nfs/dbraw/zinc/03/62/29/569036229.db2.gz	HNGDBUDGHCNBDZ-UHFFFAOYSA-N	1	2	405.455	-1.036	50	0		HAAALO
[NH3+][C@H](CSC(=O)Nc1ccccc1)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000035485056	569039705	/nfs/dbraw/zinc/03/97/05/569039705.db2.gz	FRNMQWSWCDBITJ-LREAXHOUSA-N	1	2	402.425	-1.378	50	0	biogenic	HAAALO
Cn1c(N2CC[NH+](CC(=O)N3CCOCC3)CC2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000048311895	568436961	/nfs/dbraw/zinc/43/69/61/568436961.db2.gz	FCABEMIVHRFBTN-UHFFFAOYSA-N	1	2	405.459	-2.049	50	0		HAAALO
NC(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)N3CCOCC3)CC2)o1	ZINC000052716474	568822090	/nfs/dbraw/zinc/82/20/90/568822090.db2.gz	JCGDWJBIMRMLPB-UHFFFAOYSA-N	1	2	400.457	-1.066	50	0		HAAALO
Cn1c(N)c(C(=O)C[NH+]2CCC(OCCN3CCOCC3)CC2)c(=O)n(C)c1=O	ZINC000072309405	558773276	/nfs/dbraw/zinc/77/32/76/558773276.db2.gz	QPJNJCHZMSYASJ-UHFFFAOYSA-N	1	2	409.487	-1.338	50	0		HAAALO
NC(=O)[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000225572494	568652668	/nfs/dbraw/zinc/65/26/68/568652668.db2.gz	JDRUITAOQWTBKI-KRWDZBQOSA-N	1	2	412.468	-1.432	50	0		HAAALO
NC(=O)[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000225572494	568652665	/nfs/dbraw/zinc/65/26/65/568652665.db2.gz	JDRUITAOQWTBKI-KRWDZBQOSA-N	1	2	412.468	-1.432	50	0		HAAALO
NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000225572529	568652583	/nfs/dbraw/zinc/65/25/83/568652583.db2.gz	JDRUITAOQWTBKI-QGZVFWFLSA-N	1	2	412.468	-1.432	50	0		HAAALO
NC(=O)[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000225572529	568652580	/nfs/dbraw/zinc/65/25/80/568652580.db2.gz	JDRUITAOQWTBKI-QGZVFWFLSA-N	1	2	412.468	-1.432	50	0		HAAALO