smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2=O)cc1	ZINC000083318099	558833616	/nfs/dbraw/zinc/83/36/16/558833616.db2.gz	VJBCMJIUEKTCHQ-NTUHNPAUSA-N	-1	2	401.762	3.769	40	10		HHCBLM
CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(C(=O)[O-])c(O)c1	ZINC000016160738	558774251	/nfs/dbraw/zinc/77/42/51/558774251.db2.gz	KSVMPPNIYYBYOY-DHDCSXOGSA-N	-1	2	416.231	3.571	40	10		HHCBLM
CC1=NN(c2cccc(Cl)c2)C(=O)C1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000016160714	558774329	/nfs/dbraw/zinc/77/43/29/558774329.db2.gz	HAFNQMAKUFCAFX-JYRVWZFOSA-N	-1	2	417.765	3.581	40	10		HHCBLM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)c1	ZINC000408766383	560629968	/nfs/dbraw/zinc/62/99/68/560629968.db2.gz	DBKJXYRHKBBHCG-AWNIVKPZSA-N	-1	2	405.237	3.982	40	10		HHCBLM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)o1	ZINC000408960277	560657808	/nfs/dbraw/zinc/65/78/08/560657808.db2.gz	KPBBGAKRVHMPQA-LDADJPATSA-N	-1	2	416.389	3.620	40	10		HHCBLM
O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1ccccc1[S-]	ZINC000004607024	132280087	/nfs/dbraw/zinc/28/00/87/132280087.db2.gz	LAHUPCLPEAIUKU-XFXZXTDPSA-N	-1	2	407.373	3.573	40	10		HHCBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C(=O)[O-])ccc3OCC)C2=O)cc1	ZINC000016691693	558800112	/nfs/dbraw/zinc/80/01/12/558800112.db2.gz	PYPJOIZIRSZQHS-ATVHPVEESA-N	-1	2	424.409	3.689	40	10		HHCBLM
CC1=NN(c2cccc(Cl)c2)C(=O)C1C=Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000100929794	559141868	/nfs/dbraw/zinc/14/18/68/559141868.db2.gz	GECHTFRVUIZVIP-ZROIWOOFSA-N	-1	2	400.778	3.665	40	10		HHCBLM
O=C([O-])c1ccccc1-c1ccc(C=C2C(=O)NC(=O)N(c3cccnc3)C2=O)o1	ZINC000015013712	558701265	/nfs/dbraw/zinc/70/12/65/558701265.db2.gz	WWXGTIMEKLWIGO-YBEGLDIGSA-N	-1	2	403.350	3.547	40	10		HHCBLM
O=C([O-])c1ccc(-n2cccc2C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	ZINC000015013803	558701251	/nfs/dbraw/zinc/70/12/51/558701251.db2.gz	WPDNGBFAIBAUHF-AQTBWJFISA-N	-1	2	401.378	3.682	40	10		HHCBLM
Cc1[nH]n(-c2ccccc2)c(=O)c1NN=C1C=C(Cl)C=C(S(=O)(=O)[O-])C1=O	ZINC000255975324	568774434	/nfs/dbraw/zinc/77/44/34/568774434.db2.gz	GWRGTTDDDGIZMG-UHFFFAOYSA-N	-1	2	408.823	3.907	40	10		HHCBLM
Cc1nn(-c2ccccc2)c(C)c1N=CC1C(=O)N(c2ccc(C(=O)[O-])cc2)N=C1C	ZINC000408757644	558754504	/nfs/dbraw/zinc/75/45/04/558754504.db2.gz	OHFRCQQQOYAQLY-DEDYPNTBSA-N	-1	2	415.453	3.906	40	10		HHCBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000002301494	132251936	/nfs/dbraw/zinc/25/19/36/132251936.db2.gz	DQEDMBUQJNJGRF-LDADJPATSA-N	-1	2	416.389	3.620	40	10		HHCBLM
COC(=O)C=C1[NH2+]N(c2ccccc2)C([O-])=C1C(C)=[NH+]CCSc1ccc(C)cc1	ZINC000017093636	560868128	/nfs/dbraw/zinc/86/81/28/560868128.db2.gz	AUJNHSHGEVFEND-XLNRJJMWSA-N	-1	2	423.538	3.917	40	10		HHCBLM