smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/C=C2\SC(=S)N(CC(=O)NCCN(C)C)C2=O)cc1OC	ZINC000054361049	569072369	/nfs/dbraw/zinc/07/23/69/569072369.db2.gz	IMAJJUWUOBKXCJ-GDNBJRDFSA-N	0	3	409.533	1.583	40	10		HDCBHN
[O-]c1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCN(c3ccccc3)CC2)[C@H]1O	ZINC000012484182	132360990	/nfs/dbraw/zinc/36/09/90/132360990.db2.gz	QCKNZAAAMJAOGR-FWKCKQQBSA-N	0	3	411.502	1.157	40	10	biogenic,in-vitro	HDCBHN
COc1cc(N2CCCCC2)ccc1CN1CCC(C(N)=O)(N2CCOCC2)CC1	ZINC000019656971	558949665	/nfs/dbraw/zinc/94/96/65/558949665.db2.gz	MMBYULOUCHPOJH-UHFFFAOYSA-N	0	3	416.566	1.838	40	10		HDCBHN
COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccccc1	ZINC000019818055	523944188	/nfs/dbraw/zinc/94/41/88/523944188.db2.gz	YNEWHQQBTHPRQB-UXHICEINSA-N	0	3	422.485	1.834	40	10		HDCBHN
CC[C@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc([O-])c(C[NH+](C)C)c2cc1C3	ZINC000000538480	560178285	/nfs/dbraw/zinc/17/82/85/560178285.db2.gz	UCFGDBYHRUNTLO-HSZRJFAPSA-N	0	3	421.453	1.847	40	10	in-vitro	HDCBHN
COc1ccc(/C=C2\SC(=S)N(CC(=O)NCCN(C)C)C2=O)c(OC)c1	ZINC000054361054	569072365	/nfs/dbraw/zinc/07/23/65/569072365.db2.gz	GINYDFUFWNBRFD-DHDCSXOGSA-N	0	3	409.533	1.583	40	10		HDCBHN
COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccccc1	ZINC000019818056	558288194	/nfs/dbraw/zinc/28/81/94/558288194.db2.gz	YNEWHQQBTHPRQB-PMACEKPBSA-N	0	3	422.485	1.834	40	10		HDCBHN
CCNCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CNCC)cc1C2=O	ZINC000005760434	557673340	/nfs/dbraw/zinc/67/33/40/557673340.db2.gz	OWIKGBYLJUIGMT-UHFFFAOYSA-N	0	3	408.458	1.558	40	10		HDCBHN
COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccccc1	ZINC000019818052	558288144	/nfs/dbraw/zinc/28/81/44/558288144.db2.gz	YNEWHQQBTHPRQB-WOJBJXKFSA-N	0	3	422.485	1.834	40	10		HDCBHN
COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccccc1	ZINC000019818053	523669675	/nfs/dbraw/zinc/66/96/75/523669675.db2.gz	YNEWHQQBTHPRQB-VQTJNVASSA-N	0	3	422.485	1.834	40	10		HDCBHN