smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1nn[n-]n1	ZINC000408526727	571130776	/nfs/dbraw/zinc/13/07/76/571130776.db2.gz	CGUKRKCAXCBZKH-POHAHGRESA-N	-2	3	362.191	1.989	40	10		FDCBHL
Cc1cc(=O)[n-]c(Sc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)n1	ZINC000409084213	570720398	/nfs/dbraw/zinc/72/03/98/570720398.db2.gz	BXPOFQSPFFSIDJ-UHFFFAOYSA-N	-2	3	362.392	1.149	40	10		FDCBHL
COC(=O)Cc1cc2c(c([O-])c1C(C)=O)C(=O)c1c([O-])cccc1C2=O	ZINC000003850721	518280224	/nfs/dbraw/zinc/28/02/24/518280224.db2.gz	XJIJYLAICXTKPT-UHFFFAOYSA-N	-2	3	354.314	1.791	40	10		FDCBHL
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)cc(Br)c1[O-]	ZINC000408718299	570672640	/nfs/dbraw/zinc/67/26/40/570672640.db2.gz	IFOYVTGSCFCCTF-UHFFFAOYSA-N	-2	3	361.604	1.722	40	10		FDCBHL
CC(=O)Oc1cccc2c1C([O-])=C1C(OC(C)=O)=CC(C(=O)[O-])C=C1C2=O	ZINC000100021920	209207643	/nfs/dbraw/zinc/20/76/43/209207643.db2.gz	FTNZNKVNNWWULN-MLGOLLRUSA-N	-2	3	370.313	1.695	40	10		FDCBHL
CC(=O)Oc1cccc2c1C([O-])=C1C(OC(C)=O)=CC(C(=O)[O-])C=C1C2=O	ZINC000100021915	209206975	/nfs/dbraw/zinc/20/69/75/209206975.db2.gz	FTNZNKVNNWWULN-BLLLJJGKSA-N	-2	3	370.313	1.695	40	10		FDCBHL
CO[N-]C(=O)C(C)=C1N[C@@H](c2ccccc2[O-])c2ccccc2NC1=O	ZINC000003194470	518259463	/nfs/dbraw/zinc/25/94/63/518259463.db2.gz	IQZUDRDBYOOVMJ-ZFOVBUMHSA-N	-2	3	353.378	1.975	40	10		FDCBHL
CC1=NN(c2cccc3ccccc32)C(=O)C1=Cc1c([O-])[nH]c(=O)[n-]c1=O	ZINC000016607584	211164339	/nfs/dbraw/zinc/16/43/39/211164339.db2.gz	ZJNUKMLXYAKPNC-UKTHLTGXSA-N	-2	3	362.345	1.728	40	10		FDCBHL
CC(=O)Oc1cccc2c1C([O-])=C1C(OC(C)=O)=CC(C(=O)[O-])C=C1C2=O	ZINC000100021919	222233293	/nfs/dbraw/zinc/23/32/93/222233293.db2.gz	FTNZNKVNNWWULN-LRDDRELGSA-N	-2	3	370.313	1.695	40	10		FDCBHL
Cc1ccc(N2[N-]C(=O)C(=Cc3c(Cl)nc(N)[n-]c3=O)C2=O)cc1C	ZINC000005530155	518348688	/nfs/dbraw/zinc/34/86/88/518348688.db2.gz	SOFVFFBHRSZDBY-WDZFZDKYSA-N	-2	3	359.773	1.084	40	10		FDCBHL
CC1=NN(c2cccc3ccccc32)C(=O)C1=Cc1c([O-])[nH]c(=O)[n-]c1=O	ZINC000100947773	222257488	/nfs/dbraw/zinc/25/74/88/222257488.db2.gz	ZJNUKMLXYAKPNC-LCYFTJDESA-N	-2	3	362.345	1.728	40	10		FDCBHL
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1[O-]	ZINC000408937325	570701513	/nfs/dbraw/zinc/70/15/13/570701513.db2.gz	IUCAUBDAAFBQBV-UKTHLTGXSA-N	-2	3	353.290	1.967	40	10		FDCBHL
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)[N-]c1nc(-c2ccccc2)cs1	ZINC000223285284	537522805	/nfs/dbraw/zinc/52/28/05/537522805.db2.gz	ZMHCVEHWJOLALT-UHFFFAOYSA-N	-2	3	364.408	1.296	40	10		FDCBHL
Cn1c(=O)c(-c2[n-][nH]c(=O)c2C=Nc2ccccn2)c([O-])c2ccccc21	ZINC000100261099	222240909	/nfs/dbraw/zinc/24/09/09/222240909.db2.gz	BOLBQENGXNRZRZ-BENRWUELSA-N	-2	3	361.361	1.469	40	10		FDCBHL
CO[N-]C(=O)C(C)=C1N[C@H](c2ccccc2[O-])c2ccccc2NC1=O	ZINC000003194465	518259635	/nfs/dbraw/zinc/25/96/35/518259635.db2.gz	IQZUDRDBYOOVMJ-NIFLVVHWSA-N	-2	3	353.378	1.975	40	10		FDCBHL
CC(=O)Oc1cccc2c1C([O-])=C1C(OC(C)=O)=CC(C(=O)[O-])C=C1C2=O	ZINC000021982747	220372786	/nfs/dbraw/zinc/37/27/86/220372786.db2.gz	FTNZNKVNNWWULN-WBMJQRKESA-N	-2	3	370.313	1.695	40	10		FDCBHL
CC(=O)[N-]C1=NC(=O)/C(=C\c2ccc(OCC(=O)[O-])c(Cl)c2)S1	ZINC000409090911	570722220	/nfs/dbraw/zinc/72/22/20/570722220.db2.gz	NPPDSGIQNDZXSP-VZUCSPMQSA-N	-2	3	354.771	1.910	40	10		FDCBHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ccc1O	ZINC000005544897	601241536	/nfs/dbraw/zinc/24/15/36/601241536.db2.gz	XOXYEVHSGJGUFF-UHFFFAOYSA-N	-3	3	353.308	1.295	40	10		FDCBHL
O=C([O-])Cc1ccc2c(c1[O-])C(=O)c1c([O-])c(CC(=O)[O-])ccc1C2=O	ZINC000005840584	518354973	/nfs/dbraw/zinc/35/49/73/518354973.db2.gz	UCGKAJYBYNTEQZ-UHFFFAOYSA-N	-4	3	356.286	1.127	40	10		FDCBHL
O=C([O-])Cc1ccc2c(c1[O-])C(=O)c1c(O)c(CC(=O)[O-])ccc1C2=O	ZINC000005840584	518354981	/nfs/dbraw/zinc/35/49/81/518354981.db2.gz	UCGKAJYBYNTEQZ-UHFFFAOYSA-N	-3	3	356.286	1.127	40	10		FDCBHL