smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCOc1cc2ncc3c(N)[nH+]c(-n4ccnc4)cc3c2cc1OC	ZINC000045256308	205118929	/nfs/dbraw/zinc/11/89/29/205118929.db2.gz	QSSGYSRUMIOURP-UHFFFAOYSA-N	1	2	365.393	2.585	1	5	in-vivo	FFBFLO
CCc1cnc(N2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)nc1	ZINC000066065967	536060110	/nfs/dbraw/zinc/06/01/10/536060110.db2.gz	FQTAPCPVPCDVNN-UHFFFAOYSA-N	1	2	361.833	2.923	1	5		FFBFLO
COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c21	ZINC000012354967	207364685	/nfs/dbraw/zinc/36/46/85/207364685.db2.gz	UIQQXOMFRCHRNJ-NTMALXAHSA-N	1	2	351.322	2.610	1	5		FFBFLO
O=c1c2ccc(Cl)cc2oc2c(CN3CC[NH+](CCO)CC3)cccc12	ZINC000096927923	222141250	/nfs/dbraw/zinc/14/12/50/222141250.db2.gz	UZHJWVXQNRNSMC-UHFFFAOYSA-N	1	2	372.852	2.710	1	5		FFBFLO
O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Cn3cc[nH+]c3)cc2)cc1	ZINC000043011933	205099182	/nfs/dbraw/zinc/09/91/82/205099182.db2.gz	YPBVWMGEGHBUFZ-UHFFFAOYSA-N	1	2	359.363	2.607	1	5		FFBFLO
O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(F)cc1)[C@@H]([N+](=O)[O-])[C@@H]1CCC[N@@H+]12	ZINC000169322057	206250875	/nfs/dbraw/zinc/25/08/75/206250875.db2.gz	GMYLZTVKXGTHHR-HLNWXESRSA-N	1	2	367.380	2.880	1	5		FFBFLO
O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(F)cc1)[C@@H]([N+](=O)[O-])[C@@H]1CCC[N@H+]12	ZINC000169322057	206250880	/nfs/dbraw/zinc/25/08/80/206250880.db2.gz	GMYLZTVKXGTHHR-HLNWXESRSA-N	1	2	367.380	2.880	1	5		FFBFLO