smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1N1CCN(C(=O)C=C(O)c2cc(OC)c(OC)c(OC)c2)CC1	ZINC000031572073	537063689	/nfs/dbraw/zinc/06/36/89/537063689.db2.gz	ZHEFRFWJRSRBOI-UHFFFAOYSA-N	0	2	428.485	2.643	10	0		IFAELN
COc1cc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2OC)cc(OC)c1OC	ZINC000001614085	562923089	/nfs/dbraw/zinc/92/30/89/562923089.db2.gz	QXRNWRWFNALYGH-UHFFFAOYSA-N	0	2	434.397	2.923	10	0		IFAELN
COc1ccc(C)cc1S(=O)(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1	ZINC000224276971	568917198	/nfs/dbraw/zinc/91/71/98/568917198.db2.gz	MCWUROJRENNKRQ-UHFFFAOYSA-N	0	2	439.541	2.921	10	0		IFAELN
O=C(c1cccc(Cl)c1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)[nH]c3n2)CC1	ZINC000102463609	557329933	/nfs/dbraw/zinc/32/99/33/557329933.db2.gz	YBUHQYAFGDDMKI-UHFFFAOYSA-N	0	2	448.914	2.696	10	0		IFAELN
CNS(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3c4c(cccc42)CC3)c1	ZINC000226861142	556685671	/nfs/dbraw/zinc/68/56/71/556685671.db2.gz	IPIVRDOWCIYUTN-UHFFFAOYSA-N	0	2	432.523	2.656	10	0		IFAELN
COc1ccc(OC)c(NC(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])c1	ZINC000021045960	524850495	/nfs/dbraw/zinc/85/04/95/524850495.db2.gz	SHBYPLGZWSIEBS-GOSISDBHSA-N	0	2	444.484	2.734	10	0		IFAELN
COc1ccc(OC)c(NC(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])c1	ZINC000021045960	524850504	/nfs/dbraw/zinc/85/05/04/524850504.db2.gz	SHBYPLGZWSIEBS-GOSISDBHSA-N	0	2	444.484	2.734	10	0		IFAELN
C[C@H]1COc2c(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c32	ZINC000065735081	569296783	/nfs/dbraw/zinc/29/67/83/569296783.db2.gz	LVZKUMZDYCTPGF-LBPRGKRZSA-N	0	2	447.463	2.849	10	0	in-vitro	IFAELN
CC[NH+]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2F)CC1	ZINC000032051978	132226392	/nfs/dbraw/zinc/22/63/92/132226392.db2.gz	FXPRTGSFWSMMFZ-UHFFFAOYSA-N	0	2	432.402	2.643	10	0		IFAELN
CCOc1ccc(OCC)c(S(=O)(=O)Nc2c(C)nc(N3CCOCC3)nc2C)c1	ZINC000224303672	568917675	/nfs/dbraw/zinc/91/76/75/568917675.db2.gz	YRYQMSAFAYYFFX-UHFFFAOYSA-N	0	2	436.534	2.528	10	0		IFAELN
COc1ccc(OC)c(NC(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])c1	ZINC000021045955	524848998	/nfs/dbraw/zinc/84/89/98/524848998.db2.gz	SHBYPLGZWSIEBS-SFHVURJKSA-N	0	2	444.484	2.734	10	0		IFAELN
COc1ccc(OC)c(NC(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])c1	ZINC000021045955	524849010	/nfs/dbraw/zinc/84/90/10/524849010.db2.gz	SHBYPLGZWSIEBS-SFHVURJKSA-N	0	2	444.484	2.734	10	0		IFAELN
NC(=O)C1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3Cc2ccc(F)cc2)CC1	ZINC000057346487	526858472	/nfs/dbraw/zinc/85/84/72/526858472.db2.gz	WCYJQBSXLRKSJH-UHFFFAOYSA-N	0	2	441.434	2.728	10	0		IFAELN
O=S(=O)(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1ccc(F)cc1F	ZINC000224277700	568917302	/nfs/dbraw/zinc/91/73/02/568917302.db2.gz	SIBIUYJSLCLKBX-UHFFFAOYSA-N	0	2	431.468	2.882	10	0		IFAELN
CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3c(C)nn(C)c3C)cc2s1	ZINC000033299048	557075260	/nfs/dbraw/zinc/07/52/60/557075260.db2.gz	KWFOTNKRQWJZEH-UHFFFAOYSA-N	0	2	428.561	2.631	10	0		IFAELN
COc1ccc([C@H](CC(=O)[O-])N2CCN(CCCc3ccc4c([nH+]3)NCCC4)C2=O)cn1	ZINC000001490256	562922285	/nfs/dbraw/zinc/92/22/85/562922285.db2.gz	HGFOOLONGOBCMP-IBGZPJMESA-N	0	2	439.516	2.730	10	0	in-vitro	IFAELN
CC(=O)NCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(Cl)cc1)c2=O	ZINC000002973412	569212926	/nfs/dbraw/zinc/21/29/26/569212926.db2.gz	IJMJDJQOJJSHNO-UHFFFAOYSA-N	0	2	430.917	2.627	10	0		IFAELN
O=C([O-])c1cc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)ccc1NC(=O)C1CCCC1	ZINC000035482733	526348382	/nfs/dbraw/zinc/34/83/82/526348382.db2.gz	DCVCBTMWJUPMKS-UHFFFAOYSA-N	0	2	442.560	2.648	10	0		IFAELN
CC(C)c1nc(NS(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1	ZINC000077287233	569293117	/nfs/dbraw/zinc/29/31/17/569293117.db2.gz	WSCHZXKSCWERQN-GUFYHEMZSA-N	0	2	449.504	2.857	10	0	in-vitro	IFAELN
CC(C)c1nc(NS(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@H]1C[C@@H](O)CC(=O)O1	ZINC000077287234	569293159	/nfs/dbraw/zinc/29/31/59/569293159.db2.gz	WSCHZXKSCWERQN-USQNJUIBSA-N	0	2	449.504	2.857	10	0	in-vitro	IFAELN