smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2[nH]c(NCc3cc(Br)ccc3[O-])nn2c(=O)c1Cc1ccccc1	ZINC000015669030	568801793	/nfs/dbraw/zinc/80/17/93/568801793.db2.gz	OVYFUUVSDNBWPK-UHFFFAOYSA-N	-1	3	440.301	3.397	10	10		IGCEHM
COC(=O)Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(Cn2cnnc2)cc1	ZINC000019647052	556840740	/nfs/dbraw/zinc/84/07/40/556840740.db2.gz	JVKZIPKAZMPWDT-PXLXIMEGSA-N	-1	3	448.458	3.117	10	10		IGCEHM
COc1cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)cc(OC)c1[O-]	ZINC000041108429	521943307	/nfs/dbraw/zinc/94/33/07/521943307.db2.gz	GCJNXWMKCQQZGR-IXXVHFPFSA-N	-1	3	428.495	3.333	10	10		IGCEHM
COc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(OC)c1	ZINC000033616345	563084610	/nfs/dbraw/zinc/08/46/10/563084610.db2.gz	NDIZSXKXYRQMAU-CXUHLZMHSA-N	-1	3	445.478	3.158	10	10		IGCEHM
COc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccc([N+](=O)[O-])c3)C2=O)c(OC)c1	ZINC000033890901	563084967	/nfs/dbraw/zinc/08/49/67/563084967.db2.gz	OGBKYEDVYVRSPC-CXUHLZMHSA-N	-1	3	445.478	3.158	10	10		IGCEHM
CNC(=c1c(=O)n(-c2ccccc2Cl)[n-]c1=CC(=O)OC)c1cccc(N(C)C)c1	ZINC000215771000	557136246	/nfs/dbraw/zinc/13/62/46/557136246.db2.gz	JGHVZLBFNAJQFP-MRCUWXFGSA-N	-1	3	426.904	3.302	10	10		IGCEHM
O=C(NN1C(=O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])SC1=S)c1cccc([O-])c1	ZINC000035649025	526842326	/nfs/dbraw/zinc/84/23/26/526842326.db2.gz	WVLHJGZBJWAOIQ-XLVDTEJUSA-N	-1	3	427.463	3.403	10	10		IGCEHM