smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2=O)c1	ZINC000083308381	558833433	/nfs/dbraw/zinc/83/34/33/558833433.db2.gz	JHIRVBYUUZNNHY-VGOFMYFVSA-N	-1	2	415.789	4.077	40	10		HICBLM
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)cc1	ZINC000033722808	568697739	/nfs/dbraw/zinc/69/77/39/568697739.db2.gz	CGMLKCFKWSCSLG-GZTJUZNOSA-N	-1	2	420.352	4.291	40	10		HICBLM
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000083327270	558833643	/nfs/dbraw/zinc/83/36/43/558833643.db2.gz	WPHCNNRTPTWWKK-WUXMJOGZSA-N	-1	2	422.180	4.114	40	10		HICBLM
O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1F	ZINC000223372577	568546805	/nfs/dbraw/zinc/54/68/05/568546805.db2.gz	XWWAVCITWMHPCU-UHFFFAOYSA-N	-1	2	412.851	4.102	40	10		HICBLM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1	ZINC000223371153	568546735	/nfs/dbraw/zinc/54/67/35/568546735.db2.gz	JJXUVVANJITICG-UHFFFAOYSA-N	-1	2	412.851	4.102	40	10		HICBLM
O=C([O-])c1ccccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)o1	ZINC000016488396	558794319	/nfs/dbraw/zinc/79/43/19/558794319.db2.gz	YDOCHJIGBVPZSN-ATVHPVEESA-N	-1	2	402.362	4.152	40	10		HICBLM
COc1ccccc1N=NC1C(=O)N(c2cc(S(=O)(=O)[O-])ccc2Cl)N=C1C	ZINC000104265293	559159613	/nfs/dbraw/zinc/15/96/13/559159613.db2.gz	NXGHAYHVIAMUBQ-VXPUYCOJSA-N	-1	2	422.850	4.210	40	10		HICBLM
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000409044345	560669338	/nfs/dbraw/zinc/66/93/38/560669338.db2.gz	CFERREPUGHLNRL-NYYWCZLTSA-N	-1	2	411.628	4.019	40	10		HICBLM
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccccc4)C3=O)o2)cc1	ZINC000016488248	560860994	/nfs/dbraw/zinc/86/09/94/560860994.db2.gz	YPWOJXFVKQGGKM-SFQUDFHCSA-N	-1	2	402.362	4.152	40	10		HICBLM
Cc1[nH]n(-c2ccccc2)c(=O)c1NN=C1C(=O)C=C(S(=O)(=O)[O-])c2ccccc21	ZINC000255987236	568774584	/nfs/dbraw/zinc/77/45/84/568774584.db2.gz	MEMAKMVPPFASSB-UHFFFAOYSA-N	-1	2	424.438	4.407	40	10		HICBLM
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000409046141	560669427	/nfs/dbraw/zinc/66/94/27/560669427.db2.gz	IZLCRJIYBQFBKW-WEVVVXLNSA-N	-1	2	411.628	4.019	40	10		HICBLM
O=C([O-])CCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1	ZINC000223256932	568542822	/nfs/dbraw/zinc/54/28/22/568542822.db2.gz	LPMAYHCLBMDKKL-UHFFFAOYSA-N	-1	2	422.915	4.282	40	10		HICBLM
COc1ccccc1N=NC1C(=O)N(c2cc(S(=O)(=O)[O-])ccc2Cl)N=C1C	ZINC000025693742	558648015	/nfs/dbraw/zinc/64/80/15/558648015.db2.gz	NXGHAYHVIAMUBQ-FMQUCBEESA-N	-1	2	422.850	4.210	40	10		HICBLM