smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCC[N@H+](C)C2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000035124367	520495028	/nfs/dbraw/zinc/49/50/28/520495028.db2.gz	DGCDHIKFGBFIMZ-NQIIRXRSSA-N	1	0	443.500	3.030	10	5		IGBERO
CCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCC[N@H+](C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000022521016	520493988	/nfs/dbraw/zinc/49/39/88/520493988.db2.gz	DGCDHIKFGBFIMZ-WIYYLYMNSA-N	1	0	443.500	3.030	10	5		IGBERO
CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000020968849	521487048	/nfs/dbraw/zinc/48/70/48/521487048.db2.gz	UNZJWTBCHYQEQP-UHFFFAOYSA-N	1	0	426.473	3.166	10	5		IGBERO
COc1cc2c(cc1OC)[C@H](Cc1cc(OC)c(OC)c(OC)c1)[N@@+](C)(CCCO)CC2	ZINC000504361800	717183254	/nfs/dbraw/zinc/18/32/54/717183254.db2.gz	YUFUXHAJDBFFIQ-FNZWTVRRSA-N	1	0	446.564	3.399	10	5		IGBERO
CCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCC[N@H+](C)C2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000035124370	520493940	/nfs/dbraw/zinc/49/39/40/520493940.db2.gz	DGCDHIKFGBFIMZ-RXVVDRJESA-N	1	0	443.500	3.030	10	5		IGBERO
CC[NH+](CC)CCNc1ccc(CNS(C)(=O)=O)c2sc3ccccc3c(=O)c12	ZINC000003784462	562937808	/nfs/dbraw/zinc/93/78/08/562937808.db2.gz	NAMOLZVVTPNNTE-UHFFFAOYSA-N	1	0	433.599	3.218	10	5		IGBERO
O=C1CC2(CCCC2)CC(=O)N1CCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000026163430	132225730	/nfs/dbraw/zinc/22/57/30/132225730.db2.gz	BRJKSJCCTZEQFK-UHFFFAOYSA-N	1	0	428.533	3.206	10	5		IGBERO
CCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCC[N@H+](C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000022521020	520494550	/nfs/dbraw/zinc/49/45/50/520494550.db2.gz	DGCDHIKFGBFIMZ-GHTZIAJQSA-N	1	0	443.500	3.030	10	5		IGBERO