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([N-]c1sc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1	ZINC000049036253	205168719	/nfs/dbraw/zinc/16/87/19/205168719.db2.gz	FHHZXYLFASBEJJ-UHFFFAOYSA-N	-1	3	361.257	3.836	1	5		FHBFHM
CC(=O)Nc1c2ccccc2c2c3c1cccc3C([O-])=C(CCN(C)C)C2=O	ZINC000049932133	205177058	/nfs/dbraw/zinc/17/70/58/205177058.db2.gz	ZXXHVPGSHYJQCC-GOSISDBHSA-N	-1	3	374.440	3.898	1	5		FHBFHM
Cn1c2ccccc2c2c3c(c4c5ccccc5n(C)c4c21)C(=O)[N-]C3=O	ZINC000005581660	207107458	/nfs/dbraw/zinc/10/74/58/207107458.db2.gz	KHNZAHCUOWJNCL-UHFFFAOYSA-N	-1	3	353.381	3.860	1	5		FHBFHM
CN(C)CCNc1c2c3cc(C(=O)[O-])ccc3nc-2n(C)c2ccccc21	ZINC000103146988	209247023	/nfs/dbraw/zinc/24/70/23/209247023.db2.gz	LKNRSLQLDNBEGC-UHFFFAOYSA-N	-1	3	362.433	3.503	1	5		FHBFHM
O=C(Nc1ccc([O-])c(Sc2nncs2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000096932738	209162863	/nfs/dbraw/zinc/16/28/63/209162863.db2.gz	WXRKEQUFTQCSCR-UHFFFAOYSA-N	-1	3	374.403	3.555	1	5		FHBFHM
CN(C)c1ccc(NC(=O)c2cnc3c4ccccc4ccc3c2[O-])cc1	ZINC000040955208	208275830	/nfs/dbraw/zinc/27/58/30/208275830.db2.gz	CWMZJCHELOYDSG-UHFFFAOYSA-N	-1	3	357.413	4.000	1	5		FHBFHM
COc1ccc2c(c1)[nH]c1c2c2c(c3c4c(ccn4C)ccc13)C(=O)[N-]C2=O	ZINC000000594538	210250539	/nfs/dbraw/zinc/25/05/39/210250539.db2.gz	IDMVFJGVCOXLGH-UHFFFAOYSA-N	-1	3	369.380	3.858	1	5		FHBFHM
COc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3c(c21)C(=O)[N-]C3=O	ZINC000013519384	211037664	/nfs/dbraw/zinc/03/76/64/211037664.db2.gz	RPSCADUVKLRNEB-UHFFFAOYSA-N	-1	3	355.353	3.848	1	5		FHBFHM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(F)c1	ZINC000103177671	222323037	/nfs/dbraw/zinc/32/30/37/222323037.db2.gz	XRLKRLRQZHZGFH-UHFFFAOYSA-N	-1	3	364.276	3.554	1	5		FHBFHM
COc1cccc2c1[nH]c1c2c2c(c3c4c(ccn4C)ccc13)C(=O)[N-]C2=O	ZINC000013535005	220071687	/nfs/dbraw/zinc/07/16/87/220071687.db2.gz	JCFYIDVKZYUSKM-UHFFFAOYSA-N	-1	3	369.380	3.858	1	5		FHBFHM
Cn1ccc2ccc3c4[nH]c5ccc(F)cc5c4c4c(c3c21)C(=O)[N-]C4=O	ZINC000013534926	220071798	/nfs/dbraw/zinc/07/17/98/220071798.db2.gz	WCPMTUANGBJGLD-UHFFFAOYSA-N	-1	3	357.344	3.989	1	5		FHBFHM
O=c1c2ccc([O-])cc2oc2cc(OCCCN3CCCCC3)ccc12	ZINC000071316689	221341002	/nfs/dbraw/zinc/34/10/02/221341002.db2.gz	NJDMBAAEWNYXNF-UHFFFAOYSA-N	-1	3	353.418	3.907	1	5		FHBFHM
COc1ccc2c(c1)[nH]c1c2c2c(c3c1cnc1ccccc13)C(=O)[N-]C2=O	ZINC000013488707	220069330	/nfs/dbraw/zinc/06/93/30/220069330.db2.gz	QLTTUNKHFSACML-UHFFFAOYSA-N	-1	3	367.364	3.915	1	5		FHBFHM
Cn1ccc2ccc3c4[nH]c5cc(O)ccc5c4c4c(c3c21)C(=O)[N-]C4=O	ZINC000013534979	220072488	/nfs/dbraw/zinc/07/24/88/220072488.db2.gz	WGJXQPAASLPNOB-UHFFFAOYSA-N	-1	3	355.353	3.555	1	5		FHBFHM
COc1cc2ccn(C)c2c2c3c(c4c5ccccc5[nH]c4c12)C(=O)[N-]C3=O	ZINC000013535025	220072298	/nfs/dbraw/zinc/07/22/98/220072298.db2.gz	UOJGFXJJJQZLMH-UHFFFAOYSA-N	-1	3	369.380	3.858	1	5		FHBFHM
COc1ccc2c(=O)c3c([O-])cc4c(c3n(C)c2c1OC)C=CC(C)(C)O4	ZINC000013397660	220066638	/nfs/dbraw/zinc/06/66/38/220066638.db2.gz	OBCBNXMEAJGWOD-UHFFFAOYSA-N	-1	3	367.401	3.599	1	5		FHBFHM
CC(=O)Nc1c2ccccc2c2c3c1cccc3C([O-])=C(CCN(C)C)C2=O	ZINC000049932132	221029303	/nfs/dbraw/zinc/02/93/03/221029303.db2.gz	ZXXHVPGSHYJQCC-SFHVURJKSA-N	-1	3	374.440	3.898	1	5		FHBFHM
O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1Cl)=Nc1c(CO)[nH]nc1[N-]2	ZINC000064540906	221147434	/nfs/dbraw/zinc/14/74/34/221147434.db2.gz	GXLFFMIVIQILFQ-UHFFFAOYSA-N	-1	3	369.768	3.690	1	5		FHBFHM