smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2[N@@H+](C)C1	ZINC000169313077	206250342	/nfs/dbraw/zinc/25/03/42/206250342.db2.gz	QFUOKYZEWZZDLW-DWLFOUALSA-N	1	1	374.484	3.823	1	10		FHCFMO
CC[N@H+]1CCc2c3ccc4cc(O)c(OC)cc4c3c(OC)c(O)c2C1	ZINC000040392083	205068266	/nfs/dbraw/zinc/06/82/66/205068266.db2.gz	ORSKJVFENCQMOI-UHFFFAOYSA-N	1	1	353.418	3.799	1	10		FHCFMO
CC(C)[C@@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)[NH2+]1	ZINC000002934910	204068545	/nfs/dbraw/zinc/06/85/45/204068545.db2.gz	YSGDWOSKKNMNOF-UWJYYQICSA-N	1	1	352.434	3.768	1	10		FHCFMO
COc1ccc2nc3ccccc3c(NCCC[NH+](C)C)c2c1[N+](=O)[O-]	ZINC000005940541	207124021	/nfs/dbraw/zinc/12/40/21/207124021.db2.gz	YQAUNOAVZPAGQA-UHFFFAOYSA-N	1	1	354.410	3.668	1	10		FHCFMO
O=C(N[C@H]1CC[N@H+](Cc2ccccc2O)C1)c1ccc(Cl)c(Cl)c1	ZINC000045195079	208327165	/nfs/dbraw/zinc/32/71/65/208327165.db2.gz	QMYPPRYWDAKFSH-AWEZNQCLSA-N	1	1	365.260	3.703	1	10		FHCFMO
O=C1CSC(=S)N1CCCCNc1cc[nH+]c2cc(Cl)ccc12	ZINC000095592353	209083470	/nfs/dbraw/zinc/08/34/70/209083470.db2.gz	XGSZBNYZQVBNHY-UHFFFAOYSA-N	1	1	365.911	3.941	1	10		FHCFMO
O=C1CSC(=S)N1CCCNc1cc[nH+]c2cc(Cl)ccc12	ZINC000095591136	209083844	/nfs/dbraw/zinc/08/38/44/209083844.db2.gz	SAOORLRASZJGDV-UHFFFAOYSA-N	1	1	351.884	3.551	1	10		FHCFMO
Cn1cc2c3c1cccc3[C@H]1C[C@@H](CNC(=O)c3ccccc3)C[N@@H+](C)[C@@H]1C2	ZINC000103297509	209252693	/nfs/dbraw/zinc/25/26/93/209252693.db2.gz	OFXSILNGLBNZGN-SAWYMBPVSA-N	1	1	373.500	3.568	1	10		FHCFMO
CCC[N@H+]1CCc2cc(OCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000066075719	221239319	/nfs/dbraw/zinc/23/93/19/221239319.db2.gz	BVBIAGFWBHXIBM-QGZVFWFLSA-N	1	1	357.425	3.978	1	10		FHCFMO
C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@@]1(C)c1cccc(C(N)=O)c1	ZINC000013587986	211040668	/nfs/dbraw/zinc/04/06/68/211040668.db2.gz	TXUBXEVHUHDDRV-GAJHUEQPSA-N	1	1	365.521	3.651	1	10		FHCFMO
C[N@H+]1CCCC[C@H]1c1c([O-])cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2	ZINC000069482082	291076481	/nfs/dbraw/zinc/07/64/81/291076481.db2.gz	NYHSNZHJNMYKDB-YOEHRIQHSA-N	1	1	369.417	3.667	1	10	biogenic,in-vitro	FHCFMO
CC[N@H+]1CCc2cc(OCCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000066074306	221239433	/nfs/dbraw/zinc/23/94/33/221239433.db2.gz	WFXYNLKNMYICFR-QGZVFWFLSA-N	1	1	357.425	3.978	1	10		FHCFMO
COc1ccc(N2CC[NH+](Cc3cn(-c4ccccc4)nc3C)CC2)cc1	ZINC000058523824	136131992	/nfs/dbraw/zinc/13/19/92/136131992.db2.gz	CZRUWILQRBMSBH-UHFFFAOYSA-N	1	1	362.477	3.512	1	10		FHCFMO