smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Br)c1	ZINC000043300486	562647462	/nfs/dbraw/zinc/64/74/62/562647462.db2.gz	FFYYUMVSQNLVHV-UHFFFAOYSA-N	1	0	527.376	2.310	1	70		KEIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043300620	562647530	/nfs/dbraw/zinc/64/75/30/562647530.db2.gz	MRFRJESJWIIFAR-UHFFFAOYSA-N	1	0	510.979	2.383	1	70		KEIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCCNC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307978	562647599	/nfs/dbraw/zinc/64/75/99/562647599.db2.gz	RMAFVERHFCLJIF-UHFFFAOYSA-N	1	0	511.967	2.384	1	70		KEIFRO
CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)CS(=O)(=O)F	ZINC000095566021	562764765	/nfs/dbraw/zinc/76/47/65/562764765.db2.gz	JYHQCZIBTWJRSQ-TUFLPTIASA-N	1	0	522.728	2.252	1	70		KEIFRO
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	ZINC000160802610	562849033	/nfs/dbraw/zinc/84/90/33/562849033.db2.gz	QDSIURMOHBBWLV-LWFLANIVSA-N	1	0	800.954	2.141	1	70		KEIFRO
CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCN1CCOCC1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1	ZINC000159943428	562848999	/nfs/dbraw/zinc/84/89/99/562848999.db2.gz	UTDMNSUKGXNJPL-GYHLDHQBSA-N	1	0	653.224	2.367	3	70		KEIFRO