smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CC[NH+](CCCNc2ccnc3cc(C(F)(F)F)ccc32)CC1	ZINC000064516706	205299303	/nfs/dbraw/zinc/29/93/03/205299303.db2.gz	ATIUDOXABGEADF-UHFFFAOYSA-N	1	3	352.404	3.303	1	0		FGAFHO
[NH3+]CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1	ZINC000036216358	205009357	/nfs/dbraw/zinc/00/93/57/205009357.db2.gz	WBHIZNRNVFOZMJ-UHFFFAOYSA-N	1	3	351.494	3.076	1	0	in-vivo	FGAFHO
FC(F)(F)c1nc2cccc(-[n+]3cc[n+](Cc4ccccc4)cc3)c2[n-]1	ZINC000098085495	222227736	/nfs/dbraw/zinc/22/77/36/222227736.db2.gz	ZVPRVTLQVCJGOP-UHFFFAOYSA-O	1	3	356.351	3.194	1	0		FGAFHO
FC(F)(F)c1nc2c(cccc2-[n+]2cc[n+](Cc3ccccc3)cc2)[n-]1	ZINC000098085495	222227738	/nfs/dbraw/zinc/22/77/38/222227738.db2.gz	ZVPRVTLQVCJGOP-UHFFFAOYSA-O	1	3	356.351	3.194	1	0		FGAFHO
[NH3+]CCCCN(C[C@H]1NCCc2ccccc21)[C@H]1CCCc2cccnc21	ZINC000103242137	222328327	/nfs/dbraw/zinc/32/83/27/222328327.db2.gz	UFBUAAGSLDNFTI-YADHBBJMSA-N	1	3	364.537	3.387	1	0		FGAFHO
[NH3+]CCCCN(C[C@@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21	ZINC000103242141	222327625	/nfs/dbraw/zinc/32/76/25/222327625.db2.gz	MYCKNKHATQGHEV-VXKWHMMOSA-N	1	3	364.537	3.214	1	0		FGAFHO
CCC(=O)N(CCCCCC[NH3+])C1CCN(CCc2ccccc2)CC1	ZINC000066112135	205363624	/nfs/dbraw/zinc/36/36/24/205363624.db2.gz	GPIJRUUDMRVRFP-UHFFFAOYSA-N	1	3	359.558	3.451	1	0		FGAFHO
O=[N+]([O-])OCC[NH2+]CCCCCNc1c2ccccc2nc2c1CCCC2	ZINC000040829313	205083404	/nfs/dbraw/zinc/08/34/04/205083404.db2.gz	GHDICATYJWELDK-UHFFFAOYSA-N	1	3	372.469	3.494	1	0		FGAFHO
CN(C)c1ccc(-n2c(N)nc3cc(OCCC[NH+](C)C)ccc32)cc1	ZINC000169328344	206252380	/nfs/dbraw/zinc/25/23/80/206252380.db2.gz	PISUSGBVXHEPKA-UHFFFAOYSA-N	1	3	353.470	3.004	1	0		FGAFHO
N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1	ZINC000001655284	204016961	/nfs/dbraw/zinc/01/69/61/204016961.db2.gz	ATSBWPZLUVEKIQ-HNNXBMFYSA-N	1	3	354.479	3.358	1	0		FGAFHO
C[NH2+]C[C@@H](Cc1ccc(O)cc1)N1CCN(CC2CCCCCC2)CC1	ZINC000045299559	205118725	/nfs/dbraw/zinc/11/87/25/205118725.db2.gz	VIZPWAKCVQHRAX-OAQYLSRUSA-N	1	3	359.558	3.111	1	0		FGAFHO
CN(C)C[C@@H](CSCC[NH3+])C(=O)c1ccc(OCc2ccccc2)cc1	ZINC000013741931	207482913	/nfs/dbraw/zinc/48/29/13/207482913.db2.gz	KYKIJIXHKSKLSD-IBGZPJMESA-N	1	3	372.534	3.318	1	0		FGAFHO
[NH3+]CCCCN(C[C@@H]1NCCc2ccccc21)[C@H]1CCCc2cccnc21	ZINC000103242143	222328410	/nfs/dbraw/zinc/32/84/10/222328410.db2.gz	UFBUAAGSLDNFTI-VXKWHMMOSA-N	1	3	364.537	3.387	1	0		FGAFHO