smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2nccc([C@@H](O)C[NH+]3CCC([NH2+]Cc4cc5cc([N+](=O)[O-])ccc5[nH]4)CC3)c2c1	ZINC000045210504	563179362	/nfs/dbraw/zinc/17/93/62/563179362.db2.gz	YVNXBZZRVVCNLC-SANMLTNESA-N	2	2	475.549	3.921	1	5		JHBFLP
COc1ccc2[nH]c3c(cc4c(cc[nH+]c4NCCC[NH+]4CCN(CCC[NH3+])CC4)c3C)c2c1	ZINC000028226711	563058099	/nfs/dbraw/zinc/05/80/99/563058099.db2.gz	RSNZOPVOLKGKOR-UHFFFAOYSA-N	3	2	460.626	3.955	1	5		JHBFLP
[NH3+][C@@H]1CCCC[C@H]1NC(=O)c1c2ncnc3c4ccccc4c(O)c(c32)c2c1N[C@H]1CCCC[C@@H]1[NH+]=2	ZINC000027878329	563052649	/nfs/dbraw/zinc/05/26/49/563052649.db2.gz	WZNQIZZZHGHTTJ-YRXWBPOGSA-N	2	2	482.588	3.717	1	5		JHBFLP
CC[C@H](CO)[NH2+]CCCOc1ccc2cc3ccc(OCCC[NH2+][C@H](CC)CO)cc3[nH+]c2c1	ZINC000029414410	563103616	/nfs/dbraw/zinc/10/36/16/563103616.db2.gz	QPCWWTFHWVRNEP-DHIUTWEWSA-N	3	2	469.626	3.647	1	5		JHBFLP
C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3cncnc3)CCC1CC2)(c1ccccc1)[NH+]1CCCCC1	ZINC000073161451	717133742	/nfs/dbraw/zinc/13/37/42/717133742.db2.gz	JHOZGFQMXDYMCZ-TZVITEJDSA-N	2	2	463.646	3.963	1	5		JHBFLP
CC[C@@H](CO)[NH2+]CCCOc1ccc2cc3ccc(OCCC[NH2+][C@@H](CC)CO)cc3[nH+]c2c1	ZINC000029414403	563103554	/nfs/dbraw/zinc/10/35/54/563103554.db2.gz	QPCWWTFHWVRNEP-GOTSBHOMSA-N	3	2	469.626	3.647	1	5		JHBFLP
CC[C@H](CO)[NH2+]CCCOc1ccc2cc3ccc(OCCC[NH2+][C@@H](CC)CO)cc3[nH+]c2c1	ZINC000029414406	563103610	/nfs/dbraw/zinc/10/36/10/563103610.db2.gz	QPCWWTFHWVRNEP-ZRZAMGCNSA-N	3	2	469.626	3.647	1	5		JHBFLP
COc1cc2ncc3c(N)[nH+]c(-c4cncc(OC[C@@H]([NH3+])Cc5ccncc5)c4)cc3c2cc1OC	ZINC000049088028	563201640	/nfs/dbraw/zinc/20/16/40/563201640.db2.gz	YBRYILPNEOTARN-SFHVURJKSA-N	2	2	482.544	3.788	1	5		JHBFLP