smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH2+]=C(Nc1cc2ccccc2c2ccccc12)Nc1cc2ccccc2c2ccccc12	ZINC000001577014	557273430	/nfs/dbraw/zinc/27/34/30/557273430.db2.gz	XPJHABOTGFNGEN-UHFFFAOYSA-N	1	1	411.508	7.758	40	5		HKBBMO
Cc1ccc(NCC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2c(=O)c3ccccc3sc12	ZINC000005486926	557657009	/nfs/dbraw/zinc/65/70/09/557657009.db2.gz	BENIBYVETVNODM-GHTZIAJQSA-N	1	1	406.595	5.790	40	5		HKBBMO
Cc1ccc(NCC[C@H]2CCC[N@H+]3CCCC[C@H]23)c2c(=O)c3ccccc3sc12	ZINC000005486927	557657046	/nfs/dbraw/zinc/65/70/46/557657046.db2.gz	BENIBYVETVNODM-WIYYLYMNSA-N	1	1	406.595	5.790	40	5		HKBBMO
Cc1ccc(NCCC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2c(=O)c3ccccc3sc12	ZINC000005486928	557657013	/nfs/dbraw/zinc/65/70/13/557657013.db2.gz	AMCRYCMNVUKASY-DENIHFKCSA-N	1	1	420.622	6.180	40	5		HKBBMO
Cc1ccc(NCCC[C@H]2CCC[N@H+]3CCCC[C@H]23)c2c(=O)c3ccccc3sc12	ZINC000005486930	557656984	/nfs/dbraw/zinc/65/69/84/557656984.db2.gz	AMCRYCMNVUKASY-SIKLNZKXSA-N	1	1	420.622	6.180	40	5		HKBBMO
COc1ccc2sc3c(C)ccc(NC[C@@H]4CCC[N@H+]5CCCC[C@H]45)c3c(=O)c2c1	ZINC000005553141	557661577	/nfs/dbraw/zinc/66/15/77/557661577.db2.gz	PCVVRUHQPLIQBB-LAUBAEHRSA-N	1	1	422.594	5.408	40	5		HKBBMO
COc1ccc2sc3c(C)ccc(NC[C@H]4CCC[N@H+]5CCCC[C@H]45)c3c(=O)c2c1	ZINC000005553144	557661632	/nfs/dbraw/zinc/66/16/32/557661632.db2.gz	PCVVRUHQPLIQBB-DYESRHJHSA-N	1	1	422.594	5.408	40	5		HKBBMO
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1	ZINC000030945842	568904503	/nfs/dbraw/zinc/90/45/03/568904503.db2.gz	SPFZZHWZSUGNLD-UHFFFAOYSA-N	1	1	421.884	5.059	40	5		HKBBMO
CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Nc3ccnc4cc5ccccc5cc43)cc2)C1	ZINC000031501319	558751105	/nfs/dbraw/zinc/75/11/05/558751105.db2.gz	BLQZAHQMWSVYBH-HSZRJFAPSA-N	1	1	424.548	5.346	40	5		HKBBMO
CC[N@H+]1CCC[C@H](NC(=O)c2ccc(Nc3ccnc4cc5ccccc5cc43)cc2)C1	ZINC000031501322	558751155	/nfs/dbraw/zinc/75/11/55/558751155.db2.gz	BLQZAHQMWSVYBH-QHCPKHFHSA-N	1	1	424.548	5.346	40	5		HKBBMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1	ZINC000038859706	571088459	/nfs/dbraw/zinc/08/84/59/571088459.db2.gz	NWLFUIQIVQAKEH-UHFFFAOYSA-N	1	1	422.312	5.061	40	5		HKBBMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000038859709	571088474	/nfs/dbraw/zinc/08/84/74/571088474.db2.gz	RZNCJQBQIJZQNS-UHFFFAOYSA-N	1	1	422.312	5.061	40	5		HKBBMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1	ZINC000038859712	571088450	/nfs/dbraw/zinc/08/84/50/571088450.db2.gz	IRCDATCGTXYNFG-UHFFFAOYSA-N	1	1	422.312	5.061	40	5		HKBBMO
Cc1c(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cccc1[N+](=O)[O-]	ZINC000038860181	571089947	/nfs/dbraw/zinc/08/99/47/571089947.db2.gz	NAPRMALOEPNAFP-UHFFFAOYSA-N	1	1	422.312	5.061	40	5		HKBBMO
Cc1c(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cccc1[N+](=O)[O-]	ZINC000038860183	571090128	/nfs/dbraw/zinc/09/01/28/571090128.db2.gz	JKCGTYKDNADXDL-UHFFFAOYSA-N	1	1	422.312	5.061	40	5		HKBBMO
Cc1c(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cccc1[N+](=O)[O-]	ZINC000038860186	571090269	/nfs/dbraw/zinc/09/02/69/571090269.db2.gz	KLBNJWOULQNSFS-UHFFFAOYSA-N	1	1	422.312	5.061	40	5		HKBBMO
Cc1oc(-c2ccccc2)cc1C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000055398867	568773586	/nfs/dbraw/zinc/77/35/86/568773586.db2.gz	QKMLOALQOLZRHR-UHFFFAOYSA-N	1	1	411.889	5.139	40	5		HKBBMO