smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2ccccc2oc2ccc(O[C@H]3CN4CCC3CC4)cc21	ZINC000082149849	192361485	/nfs/dbraw/zinc/36/14/85/192361485.db2.gz	DDTQQCUNTFKPEG-IBGZPJMESA-N	0	1	321.376	3.419	1	5		DGBFMN
c1nc(-c2cccc3c4cnccc4c(N4CCCC4)nc23)n[nH]1	ZINC000073168444	191288521	/nfs/dbraw/zinc/28/85/21/191288521.db2.gz	GZPFCSWSXRQYKX-UHFFFAOYSA-N	0	1	316.368	3.168	1	5		DGBFMN
COc1cc2cc3oc(C)c(C)c(O)c-3c(=O)c2c(OC)c1	ZINC000039174911	183014986	/nfs/dbraw/zinc/01/49/86/183014986.db2.gz	FZYRENRMDAPHEM-UHFFFAOYSA-N	0	1	300.310	3.286	1	5	biogenic	DGBFMN
c1nc(-c2cccc3c4cnccc4c(NC4CC4)nc23)n[nH]1	ZINC000073157688	191286445	/nfs/dbraw/zinc/28/64/45/191286445.db2.gz	FCZYYBANBFQRMS-UHFFFAOYSA-N	0	1	302.341	3.142	1	5		DGBFMN
C[C@H]1[C@@H]2Cc3cc([N+](=O)[O-])c([O-])cc3[C@@]1(C)CC[N@H+]2CC1CC1	ZINC000040957041	183151394	/nfs/dbraw/zinc/15/13/94/183151394.db2.gz	CDSURSMPIIMELV-GYOIFBIXSA-N	0	1	316.401	3.235	1	5		DGBFMN
Cc1c2c3cc(NC(=O)CN)ccc3n(C)c2nc2ccccc12	ZINC000095560062	185380053	/nfs/dbraw/zinc/38/00/53/185380053.db2.gz	HHASGTJDHQEUJJ-UHFFFAOYSA-N	0	1	318.380	3.085	1	5		DGBFMN
C[C@H]1[C@@H]2Cc3ccc([O-])c([N+](=O)[O-])c3[C@@]1(C)CC[N@H+]2CC1CC1	ZINC000040379899	183057973	/nfs/dbraw/zinc/05/79/73/183057973.db2.gz	FGTWLCWQXIFUIM-MIUNTBIASA-N	0	1	316.401	3.235	1	5		DGBFMN
O=[N+]([O-])c1c2n[nH]nc2ccc1Nc1cc(F)cc(Cl)c1	ZINC000095597353	185382515	/nfs/dbraw/zinc/38/25/15/185382515.db2.gz	ULASJZWNCQDHDI-UHFFFAOYSA-N	0	1	307.672	3.402	1	5		DGBFMN
CCCc1cc(=O)c2c(O)cc3cc(O)cc(OC)c3c2o1	ZINC000005807483	181285721	/nfs/dbraw/zinc/28/57/21/181285721.db2.gz	POMCQPYWKLKBSX-UHFFFAOYSA-N	0	1	300.310	3.319	1	5		DGBFMN
O=C(Nc1ccncc1)c1cc(=O)c2ccc3ccccc3c2[nH]1	ZINC000040981184	183154695	/nfs/dbraw/zinc/15/46/95/183154695.db2.gz	GJLJHMNLPIGREG-UHFFFAOYSA-N	0	1	315.332	3.329	1	5		DGBFMN
COc1cc2oc3c(c2cc1OC)c(=O)oc1cc(O)ccc31	ZINC000014778693	571723828	/nfs/dbraw/zinc/72/38/28/571723828.db2.gz	PKLPURDVDNBFCI-UHFFFAOYSA-N	0	1	312.277	3.415	1	5	endogenous,in-man	DGBFMN