smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+]CC[NH2+]Cc1cc(C)ccc1C	161232622	486978803	/nfs/dbraw/zinc/97/88/03/486978803.db2.gz	JRPPHRFPKFZZAJ-UHFFFAOYSA-N	2	2	192.306	1.612	20	70		ADIDLP
C[NH2+]CC[NH2+]Cc1cccc(C)c1C	161232751	486978494	/nfs/dbraw/zinc/97/84/94/486978494.db2.gz	LRTGVCMMSHCIGN-UHFFFAOYSA-N	2	2	192.306	1.612	20	70		ADIDLP
C[NH2+]CC[NH2+]Cc1ccc(Cl)cc1	161231906	486978775	/nfs/dbraw/zinc/97/87/75/486978775.db2.gz	UTLNKWJVVNNWQH-UHFFFAOYSA-N	2	2	198.697	1.649	20	70		ADIDLP
C[NH2+]CC[NH2+]Cc1cccc(OC)c1	161235735	486978972	/nfs/dbraw/zinc/97/89/72/486978972.db2.gz	FBOZTGXFADAWIS-UHFFFAOYSA-N	2	2	194.278	1.004	20	70		ADIDLP
C[NH2+]CC[NH2+]Cc1ccc(F)cc1	161231763	486979044	/nfs/dbraw/zinc/97/90/44/486979044.db2.gz	FWVQLQQIOINENG-UHFFFAOYSA-N	2	2	182.242	1.135	20	70		ADIDLP
C[NH2+]CC[NH2+]Cc1ccc(F)cc1C	161278266	486979440	/nfs/dbraw/zinc/97/94/40/486979440.db2.gz	DKDODENHUFRCMT-UHFFFAOYSA-N	2	2	196.269	1.443	20	70		ADIDLP
C[NH2+]CC[NH2+]Cc1cc(F)ccc1C	161264007	486979455	/nfs/dbraw/zinc/97/94/55/486979455.db2.gz	CGSBYNITJGRFPR-UHFFFAOYSA-N	2	2	196.269	1.443	20	70		ADIDLP
C[NH2+]CC[NH2+]Cc1cccc(F)c1	161271920	486979472	/nfs/dbraw/zinc/97/94/72/486979472.db2.gz	ZVDFJPSXEIFIAY-UHFFFAOYSA-N	2	2	182.242	1.135	20	70		ADIDLP
CCc1ccc(C[NH2+]CC[NH2+]C)cc1	161243096	486979946	/nfs/dbraw/zinc/97/99/46/486979946.db2.gz	QPTWFCIHQRIKFO-UHFFFAOYSA-N	2	2	192.306	1.558	20	70		ADIDLP
C[NH2+]CC[NH2+]Cc1ccc(C)c(C)c1	161243795	486979890	/nfs/dbraw/zinc/97/98/90/486979890.db2.gz	KSMKXJIQCYBOKD-UHFFFAOYSA-N	2	2	192.306	1.612	20	70		ADIDLP
C[NH2+]CC[NH2+]Cc1cccc(Cl)c1	161246802	486979927	/nfs/dbraw/zinc/97/99/27/486979927.db2.gz	WRDPSGRRIPNXKW-UHFFFAOYSA-N	2	2	198.697	1.649	20	70		ADIDLP
CC[NH2+]CC[NH2+]Cc1cccnc1C	161320709	486980095	/nfs/dbraw/zinc/98/00/95/486980095.db2.gz	JDXNDTWWMVLSHP-UHFFFAOYSA-N	2	2	193.294	1.089	20	70		ADIDLP
C[NH2+]CC[NH2+]Cc1ccc(C)cc1C	161262666	486980153	/nfs/dbraw/zinc/98/01/53/486980153.db2.gz	BHSSPOKTWUNVPF-UHFFFAOYSA-N	2	2	192.306	1.612	20	70		ADIDLP
C[NH2+]CC[NH2+]Cc1ccccc1C	161272494	486980181	/nfs/dbraw/zinc/98/01/81/486980181.db2.gz	AEPNWNCMRBMDMO-UHFFFAOYSA-N	2	2	178.279	1.304	20	70		ADIDLP
C[NH2+]CC[NH2+]Cc1ccc(F)c(C)c1	161243375	486980195	/nfs/dbraw/zinc/98/01/95/486980195.db2.gz	IZASKFJNNNZYPY-UHFFFAOYSA-N	2	2	196.269	1.443	20	70		ADIDLP
C[NH2+]CC[NH2+]Cc1cc(C)cc(C)c1	161262267	486980210	/nfs/dbraw/zinc/98/02/10/486980210.db2.gz	NCLBHEZMZPFQIW-UHFFFAOYSA-N	2	2	192.306	1.612	20	70		ADIDLP
C[NH2+]CC[NH2+]Cc1ccc(C)c(F)c1	161245580	486980271	/nfs/dbraw/zinc/98/02/71/486980271.db2.gz	QFTJACMKENCSPV-UHFFFAOYSA-N	2	2	196.269	1.443	20	70		ADIDLP
C[C@H]([NH2+]CC[NH3+])c1ccc(Cl)cn1	218190505	487028809	/nfs/dbraw/zinc/02/88/09/487028809.db2.gz	HEQPQVPFPHJGFA-ZETCQYMHSA-N	2	2	199.685	1.344	20	70		ADIDLP
C[C@@H]([NH2+]CC[NH3+])c1ccc(Cl)cn1	218190579	487028978	/nfs/dbraw/zinc/02/89/78/487028978.db2.gz	HEQPQVPFPHJGFA-SSDOTTSWSA-N	2	2	199.685	1.344	20	70		ADIDLP
Cc1cc[nH+]c(N(C)CC[NH+](C)C)c1	217489632	490067642	/nfs/dbraw/zinc/06/76/42/490067642.db2.gz	NQSOAVVLJCNGBX-UHFFFAOYSA-N	2	2	193.294	1.388	20	70		ADIDLP
Cc1[nH+]cn(CCn2cc[nH+]c2)c1C	160399983	344164385	/nfs/dbraw/zinc/16/43/85/344164385.db2.gz	HWHBKCBYMZXBPO-UHFFFAOYSA-N	2	2	190.250	1.397	20	70		ADIDLP