smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+](CCCO)CCn1ccnc1	160374831	538044886	/nfs/dbraw/zinc/04/48/86/538044886.db2.gz	TXTZKWQBBLMHKY-UHFFFAOYSA-N	2	1	197.282	0.587	20	70		ACIDMP
CCOCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1	159507462	486972805	/nfs/dbraw/zinc/97/28/05/486972805.db2.gz	JAMLLFVSWGDMIJ-ZJUUUORDSA-N	2	1	186.299	0.692	20	70		ACIDMP
COC[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1	159508334	486972914	/nfs/dbraw/zinc/97/29/14/486972914.db2.gz	SXKAFIKWZWTLIZ-AEJSXWLSSA-N	2	1	186.299	0.690	20	70		ACIDMP
CCOCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1	159507593	486973501	/nfs/dbraw/zinc/97/35/01/486973501.db2.gz	JAMLLFVSWGDMIJ-NXEZZACHSA-N	2	1	186.299	0.692	20	70		ACIDMP
CC[NH2+]CC[NH2+]C[C@@H]1C[C@H]1C	161315895	486979363	/nfs/dbraw/zinc/97/93/63/486979363.db2.gz	SBWRBKOSRZNARQ-BDAKNGLRSA-N	2	1	156.273	0.842	20	70		ACIDMP
CC[NH2+]CC[NH2+]C[C@H]1C[C@@H]1C	161315763	486979503	/nfs/dbraw/zinc/97/95/03/486979503.db2.gz	SBWRBKOSRZNARQ-DTWKUNHWSA-N	2	1	156.273	0.842	20	70		ACIDMP
CC[NH2+]CC[NH2+]C[C@@H]1C[C@@H]1C	161315638	486979956	/nfs/dbraw/zinc/97/99/56/486979956.db2.gz	SBWRBKOSRZNARQ-IUCAKERBSA-N	2	1	156.273	0.842	20	70		ACIDMP
CC[NH2+]CC[NH2+]C[C@H]1C[C@H]1C	161316015	486980260	/nfs/dbraw/zinc/98/02/60/486980260.db2.gz	SBWRBKOSRZNARQ-RKDXNWHRSA-N	2	1	156.273	0.842	20	70		ACIDMP
CC[N@@H+](CCNC(=[NH2+])NC)C1CC1	218001374	583492002	/nfs/dbraw/zinc/49/20/02/583492002.db2.gz	YOELPFXMMHTFHE-UHFFFAOYSA-N	2	1	184.287	0.214	20	70		ACIDMP
CNC(=[NH2+])NCCC[N@@H+](C)C(C)C	217999851	583491916	/nfs/dbraw/zinc/49/19/16/583491916.db2.gz	SPARIFGZFPFAHN-UHFFFAOYSA-N	2	1	186.303	0.460	20	70		ACIDMP
CC(C)[N@@H+](C)CCCNC(N)=[NH2+]	217999718	344408876	/nfs/dbraw/zinc/40/88/76/344408876.db2.gz	OHXMZXYJOZLBGU-UHFFFAOYSA-N	2	1	172.276	0.200	20	70		ACIDMP
C[N@H+]1CCC[C@@H]1CNCc1ncc[nH]1	218234765	344410635	/nfs/dbraw/zinc/41/06/35/344410635.db2.gz	ONILJAAEAZYVQX-SECBINFHSA-N	2	1	194.282	0.594	20	70		ACIDMP
CN1CCC[C@@H]1C[NH2+]Cc1ncc[nH]1	218234765	344410636	/nfs/dbraw/zinc/41/06/36/344410636.db2.gz	ONILJAAEAZYVQX-SECBINFHSA-N	2	1	194.282	0.594	20	70		ACIDMP
[NH3+]C[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1	217474165	409513285	/nfs/dbraw/zinc/51/32/85/409513285.db2.gz	AMKXIKBQTXLEQO-QWRGUYRKSA-N	2	1	198.310	0.836	20	70		ACIDMP
COCC[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1	218651726	409514426	/nfs/dbraw/zinc/51/44/26/409514426.db2.gz	OTMRTDTXYJVMQW-VHSXEESVSA-N	2	1	186.299	0.835	20	70		ACIDMP
COCC[C@H](C)[N@H+]1CCC[C@@H]([NH3+])C1	218651726	409514429	/nfs/dbraw/zinc/51/44/29/409514429.db2.gz	OTMRTDTXYJVMQW-VHSXEESVSA-N	2	1	186.299	0.835	20	70		ACIDMP
COCC[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1	218651654	409514644	/nfs/dbraw/zinc/51/46/44/409514644.db2.gz	OTMRTDTXYJVMQW-NXEZZACHSA-N	2	1	186.299	0.835	20	70		ACIDMP
COCC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])C1	218651654	409514650	/nfs/dbraw/zinc/51/46/50/409514650.db2.gz	OTMRTDTXYJVMQW-NXEZZACHSA-N	2	1	186.299	0.835	20	70		ACIDMP