smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)CN(CC(C)C)c1ccc(C=[NH+]Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	ZINC000103624226	555457309	/nfs/dbraw/zinc/45/73/09/555457309.db2.gz	WIQGBYVCKRYDLG-JVWAILMASA-N	1	2	560.677	5.242	10	30		KKEELO
C[C@@H](O[C@H]1OCCN(Cc2n[nH]nc2C[NH+](C)C)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000027440858	553825657	/nfs/dbraw/zinc/82/56/57/553825657.db2.gz	USRYEHHMJIRICK-ZNZBMKLDSA-N	1	2	575.529	5.720	10	30	in-vitro	KKEELO
Cc1cc(C[NH+]2CCOCC2)c(C)c([C@@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000020344496	553640089	/nfs/dbraw/zinc/64/00/89/553640089.db2.gz	KVTIPQGIURZOSJ-GDLZYMKVSA-N	1	2	513.682	5.378	10	30		KKEELO
CC(C)(C)c1cc(/C=N/[C@@H]2C[C@H]3C[C@@H]2C[C@H]3/[NH+]=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1	ZINC000072099455	571360857	/nfs/dbraw/zinc/36/08/57/571360857.db2.gz	WDMYJUKMBXUTIA-ZTXUFGQRSA-N	1	2	558.851	8.993	10	30		KKEELO
CC(C)(C)c1cc(/C=N/[C@H]2C[C@@H]3C[C@H]2C[C@@H]3/[NH+]=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1	ZINC000072099454	571360851	/nfs/dbraw/zinc/36/08/51/571360851.db2.gz	WDMYJUKMBXUTIA-JIHYBRCDSA-N	1	2	558.851	8.993	10	30		KKEELO
Cc1cc(C[NH+]2CCOCC2)c(C)c([C@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000020344498	553639968	/nfs/dbraw/zinc/63/99/68/553639968.db2.gz	KVTIPQGIURZOSJ-LJAQVGFWSA-N	1	2	513.682	5.378	10	30		KKEELO
COc1cccc([C@@H](C[NH+]2CCN(C(=O)NCc3ccccc3Cl)CC2)OCc2ccc(C#N)cc2)c1	ZINC000034915606	554029898	/nfs/dbraw/zinc/02/98/98/554029898.db2.gz	ICVSIWQWIWBGBR-MUUNZHRXSA-N	1	2	519.045	5.006	10	30		KKEELO
COc1cccc([C@H](C[NH+]2CCN(C(=O)NCc3ccccc3Cl)CC2)OCc2ccc(C#N)cc2)c1	ZINC000034915607	554029779	/nfs/dbraw/zinc/02/97/79/554029779.db2.gz	ICVSIWQWIWBGBR-NDEPHWFRSA-N	1	2	519.045	5.006	10	30		KKEELO
C=CCOc1cccc2c1cc(C(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)n2Cc1c(F)cccc1F	ZINC000101317766	554724969	/nfs/dbraw/zinc/72/49/69/554724969.db2.gz	HHMMPTZYGRPPLL-UHFFFAOYSA-N	1	2	545.586	5.219	10	30		KKEELO
CC[NH+]1CC(n2nccc2-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3cscn3)cc2C#N)C1	ZINC000095583631	562772972	/nfs/dbraw/zinc/77/29/72/562772972.db2.gz	OGBDDOBYHJYBFF-UHFFFAOYSA-N	1	2	541.058	5.001	10	30		KKEELO