smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc2ccccc2c1[C@H](c1cccc2ccccc21)[NH+]1CCCCC1	ZINC000001723345	570505843	/nfs/dbraw/zinc/50/58/43/570505843.db2.gz	RCRXVUWTTXNLPH-SANMLTNESA-N	0	1	367.492	6.274	40	10		FKCBMN
[O-]c1c([C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)ccc2cccnc21	ZINC000004178814	571270937	/nfs/dbraw/zinc/27/09/37/571270937.db2.gz	XLXWCSUUPRQELR-LJQANCHMSA-N	0	1	372.390	5.144	40	10		FKCBMN
[O-]c1c([C@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)ccc2cccnc21	ZINC000004178817	571270963	/nfs/dbraw/zinc/27/09/63/571270963.db2.gz	XLXWCSUUPRQELR-IBGZPJMESA-N	0	1	372.390	5.144	40	10		FKCBMN
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)cc3)c2c1	ZINC000004366430	204136072	/nfs/dbraw/zinc/13/60/72/204136072.db2.gz	SAEIEYREYSNRQA-UHFFFAOYSA-N	0	1	350.805	5.499	40	10		FKCBMN
COc1ccc2nc3cc(Cl)ccc3c(N3CCCc4ccccc43)c2c1	ZINC000004707040	571271052	/nfs/dbraw/zinc/27/10/52/571271052.db2.gz	PAKVLNDVGRWARQ-UHFFFAOYSA-N	0	1	374.871	6.134	40	10		FKCBMN
COc1ccc2c(c1)CCCN2c1c2ccccc2nc2cc(Cl)ccc21	ZINC000004821513	570608639	/nfs/dbraw/zinc/60/86/39/570608639.db2.gz	JFNIZJXSGPCLGN-UHFFFAOYSA-N	0	1	374.871	6.134	40	10		FKCBMN
[O-]c1c([C@@H](c2ccc(Cl)cc2Cl)[NH+]2CCCC2)ccc2cccnc21	ZINC000005556304	571271178	/nfs/dbraw/zinc/27/11/78/571271178.db2.gz	FMTVQXNHIXBWER-LJQANCHMSA-N	0	1	373.283	5.432	40	10		FKCBMN
[O-]c1ccc2ccccc2c1[C@@H](c1cccc2ccccc21)[NH+]1CCCCC1	ZINC000008628553	570683914	/nfs/dbraw/zinc/68/39/14/570683914.db2.gz	RCRXVUWTTXNLPH-AREMUKBSSA-N	0	1	367.492	6.274	40	10		FKCBMN
CC/C(=C(/CC)c1ccc([O-])c(C[NH+](CC)CC)c1)c1ccc(OC)cc1	ZINC000017299706	570871657	/nfs/dbraw/zinc/87/16/57/570871657.db2.gz	YEILTXNESJXAFZ-GHVJWSGMSA-N	0	1	367.533	5.973	40	10		FKCBMN
Cc1ccc2oc(=O)c(C3=CC=CCC3=S)c(-c3ccc(O)cc3)c2c1	ZINC000071405001	221346815	/nfs/dbraw/zinc/34/68/15/221346815.db2.gz	IJUKKLIGEXYBBV-UHFFFAOYSA-N	0	1	360.434	5.187	40	10		FKCBMN
Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Cl)cc1Cl	ZINC000100922849	222257730	/nfs/dbraw/zinc/25/77/30/222257730.db2.gz	FFHZIPQGPFKDSB-GDNBJRDFSA-N	0	1	360.244	5.020	40	10		FKCBMN
Oc1c(Cl)cc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1	ZINC000323847510	571319068	/nfs/dbraw/zinc/31/90/68/571319068.db2.gz	BJWFQISQWKPVGV-UHFFFAOYSA-N	0	1	360.240	6.103	40	10		FKCBMN
Cc1[nH]n(-c2cccc(C)c2)c(=O)c1C=Nc1cc(Cl)ccc1Cl	ZINC000408527330	570508139	/nfs/dbraw/zinc/50/81/39/570508139.db2.gz	DISMLZWKTHUQPF-GDNBJRDFSA-N	0	1	360.244	5.020	40	10		FKCBMN