smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(C[NH+]=C2Nc3ccccc3NC23CC[NH2+]CC3)c1	ZINC000032918743	524325392	/nfs/dbraw/zinc/32/53/92/524325392.db2.gz	JRICNIJDAPIUBW-UHFFFAOYSA-N	2	2	320.440	3.553	50	30		DHEALP
C=CC[N@@H+](C)Cc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1	ZINC000065469994	184350866	/nfs/dbraw/zinc/35/08/66/184350866.db2.gz	KAXQLUXWKGYJSO-UHFFFAOYSA-N	2	2	323.440	3.877	50	30		DHEALP
C=CC[N@H+](C)Cc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1	ZINC000065469994	184350868	/nfs/dbraw/zinc/35/08/68/184350868.db2.gz	KAXQLUXWKGYJSO-UHFFFAOYSA-N	2	2	323.440	3.877	50	30		DHEALP
CC1(C)Cc2c(C#N)c(/[NH+]=C/N3CCCC3)sc2C(C)(C)[NH2+]1	ZINC000000274121	563235170	/nfs/dbraw/zinc/23/51/70/563235170.db2.gz	VLDIVPTWXCHYAK-YBFXNURJSA-N	2	2	316.474	3.535	50	30		DHEALP
Cc1ccccc1C[NH+]=C1Nc2ccccc2NC12CC[NH2+]CC2	ZINC000015862364	182022319	/nfs/dbraw/zinc/02/23/19/182022319.db2.gz	MJJOJTVHORCBHJ-UHFFFAOYSA-N	2	2	320.440	3.553	50	30		DHEALP
CC(C)(C)c1cn2c([nH+]1)[C@@H](C[NH2+]CC(C)(C)CCC#N)CCC2	ZINC000089725137	563911143	/nfs/dbraw/zinc/91/11/43/563911143.db2.gz	GRLIBRORVMXESG-OAHLLOKOSA-N	2	2	316.493	3.978	50	30		DHEALP
NC(=[NH+]OCc1ccccc1)c1ccccc1C[NH+]1CCCCC1	ZINC000060197310	563415157	/nfs/dbraw/zinc/41/51/57/563415157.db2.gz	HCMGMJIMZRYYBB-UHFFFAOYSA-N	2	2	323.440	3.510	50	30		DHEALP
C[C@]1(C#N)CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)s2)C1	ZINC000670455477	563944787	/nfs/dbraw/zinc/94/47/87/563944787.db2.gz	BRVVOTRLIRNLFV-GOSISDBHSA-N	2	2	317.502	3.860	50	30		DHEALP
C[C@]1(C#N)CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)s2)C1	ZINC000670455477	563944788	/nfs/dbraw/zinc/94/47/88/563944788.db2.gz	BRVVOTRLIRNLFV-GOSISDBHSA-N	2	2	317.502	3.860	50	30		DHEALP
N#Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)cc1	ZINC000082107851	192356154	/nfs/dbraw/zinc/35/61/54/192356154.db2.gz	PNOMBVQOOMRNDU-IBGZPJMESA-N	2	2	320.440	3.544	50	30		DHEALP
N#Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)cc1	ZINC000082107851	192356156	/nfs/dbraw/zinc/35/61/56/192356156.db2.gz	PNOMBVQOOMRNDU-IBGZPJMESA-N	2	2	320.440	3.544	50	30		DHEALP
CC(C)(C)c1cn2c([nH+]1)[C@H](C[NH2+]CC(C)(C)CCC#N)CCC2	ZINC000089725135	563911085	/nfs/dbraw/zinc/91/10/85/563911085.db2.gz	GRLIBRORVMXESG-HNNXBMFYSA-N	2	2	316.493	3.978	50	30		DHEALP
C=CCc1cc(-c2[nH+]ccn2C2CC[NH+](C)CC2)ccc1OC	ZINC000071759503	191025461	/nfs/dbraw/zinc/02/54/61/191025461.db2.gz	LTVGHTRJWCBOSP-UHFFFAOYSA-N	2	2	311.429	3.554	50	30		DHEALP
CC(C)n1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC000095362913	563931108	/nfs/dbraw/zinc/93/11/08/563931108.db2.gz	YNVSAWHDCNIGIP-SFHVURJKSA-N	2	2	308.429	3.715	50	30		DHEALP
CC(C)n1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1	ZINC000095362913	563931109	/nfs/dbraw/zinc/93/11/09/563931109.db2.gz	YNVSAWHDCNIGIP-SFHVURJKSA-N	2	2	308.429	3.715	50	30		DHEALP
N#Cc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1	ZINC000082107050	192356662	/nfs/dbraw/zinc/35/66/62/192356662.db2.gz	YHIUZUYLPYSXJD-IBGZPJMESA-N	2	2	320.440	3.544	50	30		DHEALP
N#Cc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1	ZINC000082107050	192356665	/nfs/dbraw/zinc/35/66/65/192356665.db2.gz	YHIUZUYLPYSXJD-IBGZPJMESA-N	2	2	320.440	3.544	50	30		DHEALP
CCCCn1cc[nH+]c1C1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000091737523	193099445	/nfs/dbraw/zinc/09/94/45/193099445.db2.gz	KVMDABWXEPPVJU-UHFFFAOYSA-N	2	2	322.456	3.934	50	30		DHEALP
C[C@@]1(C#N)CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)s2)C1	ZINC000670455478	563944693	/nfs/dbraw/zinc/94/46/93/563944693.db2.gz	BRVVOTRLIRNLFV-SFHVURJKSA-N	2	2	317.502	3.860	50	30		DHEALP
C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)s2)C1	ZINC000670455478	563944694	/nfs/dbraw/zinc/94/46/94/563944694.db2.gz	BRVVOTRLIRNLFV-SFHVURJKSA-N	2	2	317.502	3.860	50	30		DHEALP
C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)Sc3sccc32)CC1	ZINC000089497035	563887768	/nfs/dbraw/zinc/88/77/68/563887768.db2.gz	BZUIWWYJIQNQCJ-SWLSCSKDSA-N	2	2	308.516	3.914	50	30		DHEALP
C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(-n2cc[nH+]c2)cc1	ZINC000022816473	182336311	/nfs/dbraw/zinc/33/63/11/182336311.db2.gz	JIBXGSJAMKHNQT-HNNXBMFYSA-N	2	2	302.381	3.595	50	30		DHEALP
N#Cc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1	ZINC000082107051	192357140	/nfs/dbraw/zinc/35/71/40/192357140.db2.gz	YHIUZUYLPYSXJD-LJQANCHMSA-N	2	2	320.440	3.544	50	30		DHEALP
N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1	ZINC000082107051	192357144	/nfs/dbraw/zinc/35/71/44/192357144.db2.gz	YHIUZUYLPYSXJD-LJQANCHMSA-N	2	2	320.440	3.544	50	30		DHEALP
C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(-n2cc[nH+]c2)cc1	ZINC000022816466	182336031	/nfs/dbraw/zinc/33/60/31/182336031.db2.gz	JIBXGSJAMKHNQT-OAHLLOKOSA-N	2	2	302.381	3.595	50	30		DHEALP
N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)cc1	ZINC000082107852	192356609	/nfs/dbraw/zinc/35/66/09/192356609.db2.gz	PNOMBVQOOMRNDU-LJQANCHMSA-N	2	2	320.440	3.544	50	30		DHEALP
N#Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)cc1	ZINC000082107852	192356612	/nfs/dbraw/zinc/35/66/12/192356612.db2.gz	PNOMBVQOOMRNDU-LJQANCHMSA-N	2	2	320.440	3.544	50	30		DHEALP
Cc1ccc(C[NH+]=C2Nc3ccccc3NC23CC[NH2+]CC3)cc1	ZINC000032918783	524225954	/nfs/dbraw/zinc/22/59/54/524225954.db2.gz	NEICHFPOTDRFQD-UHFFFAOYSA-N	2	2	320.440	3.553	50	30		DHEALP
CC(C)n1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC000095362912	563931222	/nfs/dbraw/zinc/93/12/22/563931222.db2.gz	YNVSAWHDCNIGIP-GOSISDBHSA-N	2	2	308.429	3.715	50	30		DHEALP
CC(C)n1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1	ZINC000095362912	563931223	/nfs/dbraw/zinc/93/12/23/563931223.db2.gz	YNVSAWHDCNIGIP-GOSISDBHSA-N	2	2	308.429	3.715	50	30		DHEALP
C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](C)Sc3sccc32)CC1	ZINC000089497034	563887797	/nfs/dbraw/zinc/88/77/97/563887797.db2.gz	BZUIWWYJIQNQCJ-WFASDCNBSA-N	2	2	308.516	3.914	50	30		DHEALP