smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(N2N=C(C)C(=C[NH2+]Nc3ccc(C)cc3)C2=O)ccc1Cl	ZINC000408529954	570509617	/nfs/dbraw/zinc/50/96/17/570509617.db2.gz	IHOZOELEMRCBNW-WJDWOHSUSA-N	1	2	370.840	3.880	40	10		FHCBLO
Oc1ccc(Cl)cc1CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1	ZINC000019365167	570887872	/nfs/dbraw/zinc/88/78/72/570887872.db2.gz	RWHPORRQXVCOSG-UHFFFAOYSA-N	1	2	367.276	3.722	40	10		FHCBLO
CC[N@H+](CCCNC(=S)Nc1ccc2c(c1)OCO2)c1ccc(C)cc1	ZINC000225733415	571060435	/nfs/dbraw/zinc/06/04/35/571060435.db2.gz	IZQIAQGHCDKVLI-UHFFFAOYSA-N	1	2	371.506	3.927	40	10		FHCBLO
CC[N@@H+](CCCNC(=S)Nc1ccc2c(c1)OCO2)c1ccc(C)cc1	ZINC000225733415	571060436	/nfs/dbraw/zinc/06/04/36/571060436.db2.gz	IZQIAQGHCDKVLI-UHFFFAOYSA-N	1	2	371.506	3.927	40	10		FHCBLO
COc1ccc([NH+]2CCC(Nc3ccc(N4CCCC4=O)cc3)CC2)cc1	ZINC000585168579	571237288	/nfs/dbraw/zinc/23/72/88/571237288.db2.gz	UGQNIATWGOHSFS-UHFFFAOYSA-N	1	2	365.477	3.903	40	10		FHCBLO
C[C@@]12CC[C@H]3c4cc(C[NH+]5CCOCC5)c(O)cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000061895139	205287885	/nfs/dbraw/zinc/28/78/85/205287885.db2.gz	FJWJRQPFLAFCSE-ZYRMUBPZSA-N	1	2	369.505	3.650	40	10		FHCBLO
COc1cc(N2N=C(C)C(=C[NH2+]Nc3cccc(C)c3)C2=O)ccc1Cl	ZINC000408536786	570518437	/nfs/dbraw/zinc/51/84/37/570518437.db2.gz	YBAAGSUDJFAAEO-WJDWOHSUSA-N	1	2	370.840	3.880	40	10		FHCBLO
CCN(CC)c1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1	ZINC000079713201	520903125	/nfs/dbraw/zinc/90/31/25/520903125.db2.gz	TXSHRBHRLUMXRA-UHFFFAOYSA-N	1	2	362.477	3.708	40	10		FHCBLO
C[C@@]12CC[C@@H]3c4cc(C[NH+]5CCOCC5)c(O)cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000061895135	571137540	/nfs/dbraw/zinc/13/75/40/571137540.db2.gz	FJWJRQPFLAFCSE-BNUXRISVSA-N	1	2	369.505	3.650	40	10		FHCBLO
COc1ccc([N@H+](C)CCCNC(=O)c2cc(Cl)ccc2OC)cc1	ZINC000225041535	571010908	/nfs/dbraw/zinc/01/09/08/571010908.db2.gz	RAWCUOBQDFLTHW-UHFFFAOYSA-N	1	2	362.857	3.614	40	10		FHCBLO
COc1ccc([N@@H+](C)CCCNC(=O)c2cc(Cl)ccc2OC)cc1	ZINC000225041535	571010911	/nfs/dbraw/zinc/01/09/11/571010911.db2.gz	RAWCUOBQDFLTHW-UHFFFAOYSA-N	1	2	362.857	3.614	40	10		FHCBLO
O=[N+]([O-])c1ccccc1[C@@H](c1ccc2ccccc2c1O)[NH+]1CCOCC1	ZINC000031638199	571054984	/nfs/dbraw/zinc/05/49/84/571054984.db2.gz	DWKPLCIMDLWBSB-FQEVSTJZSA-N	1	2	364.401	3.875	40	10		FHCBLO
COc1ccc([NH+]2CCC(N(Cc3ccco3)C(=O)C(C)C)CC2)cc1	ZINC000072342399	571179386	/nfs/dbraw/zinc/17/93/86/571179386.db2.gz	RBIPALIDHRKUQF-UHFFFAOYSA-N	1	2	356.466	3.942	40	10		FHCBLO
C[C@]12CC[C@@H]3c4cc(C[NH+]5CCOCC5)c(O)cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000061895137	221135574	/nfs/dbraw/zinc/13/55/74/221135574.db2.gz	FJWJRQPFLAFCSE-JPPTWICTSA-N	1	2	369.505	3.650	40	10		FHCBLO
CC(C)Nc1nc(Nc2cc(Cl)ccc2O)cc(-c2ccccc2)[nH+]1	ZINC000329071464	529112307	/nfs/dbraw/zinc/11/23/07/529112307.db2.gz	ZQCMMBUOQPZZPO-UHFFFAOYSA-N	1	2	354.841	3.910	40	10		FHCBLO
Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1	ZINC000408820688	570690060	/nfs/dbraw/zinc/69/00/60/570690060.db2.gz	YBSBUBCNIOLQEF-BOPFTXTBSA-N	1	2	355.463	3.826	40	10		FHCBLO
O=[N+]([O-])c1ccccc1[C@H](c1ccc2ccccc2c1O)[NH+]1CCOCC1	ZINC000031638203	571055198	/nfs/dbraw/zinc/05/51/98/571055198.db2.gz	DWKPLCIMDLWBSB-HXUWFJFHSA-N	1	2	364.401	3.875	40	10		FHCBLO
C[C@]12CC[C@H]3c4cc(C[NH+]5CCOCC5)c(O)cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000061895141	221135867	/nfs/dbraw/zinc/13/58/67/221135867.db2.gz	FJWJRQPFLAFCSE-YNQURBJZSA-N	1	2	369.505	3.650	40	10		FHCBLO