smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(N=Cc2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])cc2)ccc1O	ZINC000016400216	526342746	/nfs/dbraw/zinc/34/27/46/526342746.db2.gz	AXDDCBDGJUHDBK-YMXGCUFHSA-N	-1	2	422.353	2.709	50	30		HFEALM
C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000002989941	560732575	/nfs/dbraw/zinc/73/25/75/560732575.db2.gz	BEEJZIZYHVZZEZ-LFIBNONCSA-N	-1	2	422.393	2.625	50	30		HFEALM
CC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1	ZINC000095447963	568612425	/nfs/dbraw/zinc/61/24/25/568612425.db2.gz	KHJQJFAWPFEXOP-UHFFFAOYSA-N	-1	2	406.844	2.945	50	30		HFEALM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	ZINC000004180067	568949218	/nfs/dbraw/zinc/94/92/18/568949218.db2.gz	JFHGPBJSMPTSLG-UDWIEESQSA-N	-1	2	420.447	2.839	50	30		HFEALM
C#CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000033399181	518321438	/nfs/dbraw/zinc/32/14/38/518321438.db2.gz	DCURZTPFMQQOQP-WJDWOHSUSA-N	-1	2	420.377	2.912	50	30		HFEALM
COc1ccc(/N=C2/SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1	ZINC000083309926	558843703	/nfs/dbraw/zinc/84/37/03/558843703.db2.gz	SJDNKGVWHBXJOQ-UMIVRTMYSA-N	-1	2	413.455	2.984	50	30		HFEALM
COc1ccc(/N=C2/SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1	ZINC000083309924	558843757	/nfs/dbraw/zinc/84/37/57/558843757.db2.gz	SJDNKGVWHBXJOQ-JDAKFOBDSA-N	-1	2	413.455	2.984	50	30		HFEALM
C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000002989094	558780180	/nfs/dbraw/zinc/78/01/80/558780180.db2.gz	HCLXWQCYMNTYSM-LFIBNONCSA-N	-1	2	424.796	2.717	50	30		HFEALM
COc1ccccc1/N=C1\SC(CC(=O)Nc2cccc(C(=O)[O-])c2)C(=O)N1C	ZINC000004680971	557580608	/nfs/dbraw/zinc/58/06/08/557580608.db2.gz	QTKSKQMTMKDCJR-BLRPHQBRSA-N	-1	2	413.455	2.984	50	30		HFEALM
COc1ccccc1/N=C1\S[C@H](CC(=O)Nc2cccc(C(=O)[O-])c2)C(=O)N1C	ZINC000004680971	557580610	/nfs/dbraw/zinc/58/06/10/557580610.db2.gz	QTKSKQMTMKDCJR-BLRPHQBRSA-N	-1	2	413.455	2.984	50	30		HFEALM
O=C([O-])c1cc(NC=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1Cl	ZINC000004738553	557589444	/nfs/dbraw/zinc/58/94/44/557589444.db2.gz	QKQFITXJLRTQHQ-RTYWOJFRSA-N	-1	2	403.753	2.779	50	30		HFEALM
COc1cccc(/N=C2\SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)c1	ZINC000004715602	558914783	/nfs/dbraw/zinc/91/47/83/558914783.db2.gz	ABHDWBGGZYBVPT-HZSHHLKBSA-N	-1	2	413.455	2.984	50	30		HFEALM
COc1cccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)c1	ZINC000004715602	558914785	/nfs/dbraw/zinc/91/47/85/558914785.db2.gz	ABHDWBGGZYBVPT-HZSHHLKBSA-N	-1	2	413.455	2.984	50	30		HFEALM
COc1ccccc1/N=C1\SC(CC(=O)Nc2cccc(C(=O)[O-])c2)C(=O)N1C	ZINC000004680970	557580594	/nfs/dbraw/zinc/58/05/94/557580594.db2.gz	QTKSKQMTMKDCJR-HZSHHLKBSA-N	-1	2	413.455	2.984	50	30		HFEALM
COc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2cccc(C(=O)[O-])c2)C(=O)N1C	ZINC000004680970	557580598	/nfs/dbraw/zinc/58/05/98/557580598.db2.gz	QTKSKQMTMKDCJR-HZSHHLKBSA-N	-1	2	413.455	2.984	50	30		HFEALM
O=C([O-])c1cc(NC=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1Cl	ZINC000004738554	557589426	/nfs/dbraw/zinc/58/94/26/557589426.db2.gz	QKQFITXJLRTQHQ-OOMAIKSQSA-N	-1	2	403.753	2.779	50	30		HFEALM
COc1cccc(/N=C2\SC(CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)c1	ZINC000004715603	558914748	/nfs/dbraw/zinc/91/47/48/558914748.db2.gz	ABHDWBGGZYBVPT-BLRPHQBRSA-N	-1	2	413.455	2.984	50	30		HFEALM
COc1cccc(/N=C2\S[C@H](CC(=O)Nc3ccc(C(=O)[O-])cc3)C(=O)N2C)c1	ZINC000004715603	558914753	/nfs/dbraw/zinc/91/47/53/558914753.db2.gz	ABHDWBGGZYBVPT-BLRPHQBRSA-N	-1	2	413.455	2.984	50	30		HFEALM
O=C([O-])Cc1sc([N-][NH+]=Cc2ccc(OCc3ccc(F)cc3)cc2)nc1O	ZINC000006996806	557732471	/nfs/dbraw/zinc/73/24/71/557732471.db2.gz	OVPHOUFYRMRBKE-PPAWOMOGSA-N	-1	2	401.419	2.801	50	30		HFEALM