smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCCc3cnc[nH]3)[C@H]21	ZINC000217711275	569881119	/nfs/dbraw/zinc/88/11/19/569881119.db2.gz	WNFWOJYURUNPSY-DEOSSOPVSA-N	1	1	489.532	2.681	50	70	biogenic	JFIAMO
O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217607328	569880500	/nfs/dbraw/zinc/88/05/00/569880500.db2.gz	AZLAMAJGRJSGCD-AJSBUHFISA-N	1	1	465.598	2.792	50	70	biogenic	JFIAMO
Cn1c(C[NH+]2CCN(c3ccccc3)CC2)cc(=O)c(O)c1CN1CCO[C@H](c2ccccc2)C1	ZINC000218532071	569883391	/nfs/dbraw/zinc/88/33/91/569883391.db2.gz	NCIOGERHPOUWQP-MHZLTWQESA-N	1	1	474.605	2.987	50	70		JFIAMO
Cn1c(C[NH+]2CCN(c3ccccc3)CC2)cc(=O)c(O)c1CN1CCO[C@@H](c2ccccc2)C1	ZINC000218532142	569883432	/nfs/dbraw/zinc/88/34/32/569883432.db2.gz	NCIOGERHPOUWQP-HHHXNRCGSA-N	1	1	474.605	2.987	50	70		JFIAMO
COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217835650	569881836	/nfs/dbraw/zinc/88/18/36/569881836.db2.gz	QHDHBMVSWIOJIO-KRWDZBQOSA-N	1	1	459.495	2.806	50	70	biogenic	JFIAMO
COC(=O)COc1ccccc1[C@@H](CC(=O)OC)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000218049028	569882574	/nfs/dbraw/zinc/88/25/74/569882574.db2.gz	VNMJSRSCTYFXGU-GOSISDBHSA-N	1	1	459.495	2.578	50	70	biogenic	JFIAMO
COC(=O)COc1ccccc1[C@H](CC(=O)OC)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000218049103	569882558	/nfs/dbraw/zinc/88/25/58/569882558.db2.gz	VNMJSRSCTYFXGU-SFHVURJKSA-N	1	1	459.495	2.578	50	70	biogenic	JFIAMO
CC[N@H+]1CCC[C@@H]1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21	ZINC000217851768	569881856	/nfs/dbraw/zinc/88/18/56/569881856.db2.gz	MQVIMSHJAAFVPS-CRICUBBOSA-N	1	1	492.576	2.809	50	70	biogenic	JFIAMO
COc1ccccc1OCCN1CCN(Cc2oc(C[NH+]3CCCCC3)cc(=O)c2O)CC1	ZINC000218514487	569883410	/nfs/dbraw/zinc/88/34/10/569883410.db2.gz	LLAUYNOODIGLJK-UHFFFAOYSA-N	1	1	457.571	2.537	50	70		JFIAMO
COC(=O)COc1ccc([C@@H](CC(=O)OC)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc1OC	ZINC000218108949	569882747	/nfs/dbraw/zinc/88/27/47/569882747.db2.gz	WOQCJQGQMKQXLI-GOSISDBHSA-N	1	1	489.521	2.587	50	70	biogenic	JFIAMO
COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000217835587	569881796	/nfs/dbraw/zinc/88/17/96/569881796.db2.gz	QHDHBMVSWIOJIO-QGZVFWFLSA-N	1	1	459.495	2.806	50	70	biogenic	JFIAMO
CC[N@H+]1CCC[C@H]1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21	ZINC000217851833	569881805	/nfs/dbraw/zinc/88/18/05/569881805.db2.gz	MQVIMSHJAAFVPS-SSOJOUAXSA-N	1	1	492.576	2.809	50	70	biogenic	JFIAMO
COC(=O)COc1ccc([C@H](CC(=O)OC)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc1OC	ZINC000218109022	569882737	/nfs/dbraw/zinc/88/27/37/569882737.db2.gz	WOQCJQGQMKQXLI-SFHVURJKSA-N	1	1	489.521	2.587	50	70	biogenic	JFIAMO
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NCCc3cnc[nH]3)[C@@H]21	ZINC000217711349	569881199	/nfs/dbraw/zinc/88/11/99/569881199.db2.gz	WNFWOJYURUNPSY-XMMPIXPASA-N	1	1	489.532	2.681	50	70	biogenic	JFIAMO