smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C(c2nc3ccccc3[nH]2)=C([O-])CN1Cc1ccccc1	ZINC000217426200	201517732	/nfs/dbraw/zinc/51/77/32/201517732.db2.gz	LEZUMMOUHPBZJR-UHFFFAOYSA-N	-1	3	305.337	2.874	50	70		DFIAHM
COc1cccc(C(=O)N[C@@H](C)C[C@H](O)c2ccccc2)c1[O-]	ZINC000160692335	425992267	/nfs/dbraw/zinc/99/22/67/425992267.db2.gz	WWAOMGBZWUAQJH-WFASDCNBSA-N	-1	3	315.369	2.643	50	70		DFIAHM
O=S(=O)(Cc1cc(F)ccc1F)[N-]c1ccn2nccc2c1	ZINC000217962122	426565372	/nfs/dbraw/zinc/56/53/72/426565372.db2.gz	USEFEKIFGMLTIB-UHFFFAOYSA-N	-1	3	323.324	2.554	50	70		DFIAHM
COc1cccc(C(=O)N[C@H](C)C[C@H](O)c2ccccc2)c1[O-]	ZINC000160692480	425992531	/nfs/dbraw/zinc/99/25/31/425992531.db2.gz	WWAOMGBZWUAQJH-DOMZBBRYSA-N	-1	3	315.369	2.643	50	70		DFIAHM
Cn1ccc(NC(=O)c2c[n-]c3cc(Cl)ccc3c2=O)n1	ZINC000218253369	426568315	/nfs/dbraw/zinc/56/83/15/426568315.db2.gz	QTSNYJINVVXAPZ-UHFFFAOYSA-N	-1	3	302.721	2.580	50	70		DFIAHM
Cn1ccc(NC(=O)c2cnc3cc(Cl)ccc3c2[O-])n1	ZINC000218253369	426568318	/nfs/dbraw/zinc/56/83/18/426568318.db2.gz	QTSNYJINVVXAPZ-UHFFFAOYSA-N	-1	3	302.721	2.580	50	70		DFIAHM
C[C@H](Cc1cccnc1)NC(=O)Cc1ccc([O-])c(Cl)c1	ZINC000217144271	201511558	/nfs/dbraw/zinc/51/15/58/201511558.db2.gz	JMXMDNPKFGCLSJ-LLVKDONJSA-N	-1	3	304.777	2.731	50	70		DFIAHM
O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(=O)[n-]cn1	ZINC000217794117	542878002	/nfs/dbraw/zinc/87/80/02/542878002.db2.gz	ALGWWTBTRUHRNU-UHFFFAOYSA-N	-1	3	321.336	2.601	50	70		DFIAHM
COc1cccc(C(=O)N[C@H](C)C[C@@H](O)c2ccccc2)c1[O-]	ZINC000160692739	425992719	/nfs/dbraw/zinc/99/27/19/425992719.db2.gz	WWAOMGBZWUAQJH-IUODEOHRSA-N	-1	3	315.369	2.643	50	70		DFIAHM
CCCc1cc(CN(C)C(=O)Cc2ccc([O-])c(Cl)c2)[nH]n1	ZINC000217496287	426563798	/nfs/dbraw/zinc/56/37/98/426563798.db2.gz	DQDOFZJMZIQMAQ-UHFFFAOYSA-N	-1	3	321.808	2.922	50	70		DFIAHM
CCCc1cc(CN(C)C(=O)Cc2ccc([O-])c(Cl)c2)n[nH]1	ZINC000217496287	426563802	/nfs/dbraw/zinc/56/38/02/426563802.db2.gz	DQDOFZJMZIQMAQ-UHFFFAOYSA-N	-1	3	321.808	2.922	50	70		DFIAHM
COc1cccc(C(=O)N(Cc2nccs2)C2CC2)c1[O-]	ZINC000218014694	426565261	/nfs/dbraw/zinc/56/52/61/426565261.db2.gz	MWKKOECZBSKWFT-UHFFFAOYSA-N	-1	3	304.371	2.662	50	70		DFIAHM
O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc([O-])c(F)c1	ZINC000217597290	542877287	/nfs/dbraw/zinc/87/72/87/542877287.db2.gz	UMBUMRQLHPEYEO-UHFFFAOYSA-N	-1	3	319.723	2.991	50	70		DFIAHM
O=C([O-])[C@H]1[C@@H]2CN(Cc3ccc(OC4CCCC4)cc3)C[C@@H]21	ZINC000217178120	542876192	/nfs/dbraw/zinc/87/61/92/542876192.db2.gz	MSBHCJIGYARPGY-FVQHAEBGSA-N	-1	3	301.386	2.770	50	70		DFIAHM
COc1cccc(C(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)c1[O-]	ZINC000160692603	425992452	/nfs/dbraw/zinc/99/24/52/425992452.db2.gz	WWAOMGBZWUAQJH-SWLSCSKDSA-N	-1	3	315.369	2.643	50	70		DFIAHM
O=S(=O)([N-]c1ccccc1-c1cn2ccsc2n1)C1CC1	ZINC000218653814	398345666	/nfs/dbraw/zinc/34/56/66/398345666.db2.gz	LTSPAKWCAYRWIW-UHFFFAOYSA-N	-1	3	319.411	2.967	50	70		DFIAHM
CCOc1ccc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(OCC)c1C	ZINC000217676103	542878046	/nfs/dbraw/zinc/87/80/46/542878046.db2.gz	BFLRSQQTRSCYCP-FOLVSLTJSA-N	-1	3	319.401	2.555	50	70		DFIAHM