smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2cccc3cccc(c32)C(=O)N1CCCNCCC[NH2+]CCCC[NH2+]CCCN1C(=O)c2cccc3cccc(c32)C1=O	ZINC000006009989	561701795	/nfs/dbraw/zinc/70/17/95/561701795.db2.gz	IZFDJZOAUGVPFT-UHFFFAOYSA-N	2	3	619.766	4.605	1	0		KJAFHP
O=C(Cc1cccc2ccccc21)N1CCC(C[NH2+]CCCC[NH2+]CC2CCN(c3ccncc3)CC2)CC1	ZINC000013836736	561734320	/nfs/dbraw/zinc/73/43/20/561734320.db2.gz	QONNPOKXOAUWKJ-UHFFFAOYSA-N	2	3	527.757	4.892	1	0		KJAFHP
Clc1ccc2c(c1)nccc2NCCCN1CCN(CCC[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1	ZINC000028822350	561966909	/nfs/dbraw/zinc/96/69/09/561966909.db2.gz	HEORJBIZGYPLLY-UHFFFAOYSA-N	2	3	535.180	4.505	1	0		KJAFHP
O[C@@H](Cn1nc(-c2ccc(C(F)(F)F)c(SCCN3CCC(F)CC3)c2)c2c1CC[NH2+]C2)C[NH+]1CCCCC1	ZINC000049780672	562682077	/nfs/dbraw/zinc/68/20/77/562682077.db2.gz	LZILNQBYNQZWDJ-JOCHJYFZSA-N	2	3	569.713	4.587	1	0		KJAFHP
O[C@H](Cn1nc(-c2ccc(C(F)(F)F)c(SCCN3CCC(F)CC3)c2)c2c1CC[NH2+]C2)C[NH+]1CCCCC1	ZINC000049780673	562682071	/nfs/dbraw/zinc/68/20/71/562682071.db2.gz	LZILNQBYNQZWDJ-QFIPXVFZSA-N	2	3	569.713	4.587	1	0		KJAFHP
CC(C)(C)c1cc(NC(=O)CN)c(SCC[NH3+])c(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)CN)c3SCC[NH3+])c2)c1	ZINC000049938248	562695181	/nfs/dbraw/zinc/69/51/81/562695181.db2.gz	ZYBRVVSYNDGPKF-UHFFFAOYSA-N	2	3	722.982	4.682	1	0		KJAFHP
N=C(NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=N)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1	ZINC000095832079	562789302	/nfs/dbraw/zinc/78/93/02/562789302.db2.gz	ZGJWCMOELHEKEL-UHFFFAOYSA-N	2	3	572.562	4.906	1	0		KJAFHP
C[NH+](C)CCCNCCC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3c(NCCC[NH+](C)C)n2)cc1	ZINC000096258046	562792842	/nfs/dbraw/zinc/79/28/42/562792842.db2.gz	ROPXWCQJTZHRDR-UHFFFAOYSA-N	2	3	596.780	4.783	1	0		KJAFHP
NCCC[NH2+]CCCC[NH2+]CCCN1C(=O)C(c2ccc3ccccc3c2)=C(c2ccc3ccccc3c2)C1=O	ZINC000096934623	562803920	/nfs/dbraw/zinc/80/39/20/562803920.db2.gz	NEIWVLCAWUTUTG-UHFFFAOYSA-N	2	3	534.704	4.971	1	0		KJAFHP
CO[C@@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=[NH+]C[C@@H](OC)CN7)cc6o5)cc4)[nH]c3c2)=[NH+]C1	ZINC000299836816	562887311	/nfs/dbraw/zinc/88/73/11/562887311.db2.gz	HYYMDHLAXIIYDS-UHFFFAOYSA-N	2	3	533.632	4.978	1	0		KJAFHP
CO[C@@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NC[C@@H](OC)CN7)cc6o5)cc4)[nH]c3c2)=[NH+]C1	ZINC000299836816	562887310	/nfs/dbraw/zinc/88/73/10/562887310.db2.gz	HYYMDHLAXIIYDS-UHFFFAOYSA-N	2	3	533.632	4.978	1	0		KJAFHP
CCCCN1C(=[NH2+])N([C@@H](CCC)CN2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@H]1Cc1ccccc1	ZINC000064560484	562708535	/nfs/dbraw/zinc/70/85/35/562708535.db2.gz	ANFIASDTFAVNAZ-RTNMLALUSA-N	2	3	557.831	4.825	3	0		KJAFHP
CCCCN1C(=[NH2+])N([C@@H](CCC)CN2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@H]1[C@H](C)CC	ZINC000066129506	562712974	/nfs/dbraw/zinc/71/29/74/562712974.db2.gz	MAWZSNDGHVCEFO-QDXQZTBOSA-N	2	3	523.814	4.628	3	0		KJAFHP
CCCCN1C(=[NH2+])N([C@@H](CCC)CN2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2CC(C)C)C[C@H]1Cc1ccccc1	ZINC000066136659	562713238	/nfs/dbraw/zinc/71/32/38/562713238.db2.gz	NBEOOUAVQBBNHY-QUAHOIDUSA-N	2	3	523.814	4.628	3	0		KJAFHP
CCCCN1C(=[NH2+])N([C@@H](CN2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(C)C)C[C@H]1Cc1ccccc1	ZINC000066139217	562713398	/nfs/dbraw/zinc/71/33/98/562713398.db2.gz	MFJLHOLUPATNON-IHZBLBIESA-N	2	3	557.831	4.681	3	0		KJAFHP
CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2CC(C)C)C(=[NH2+])N1CCCC1CCCC1	ZINC000095569909	562767761	/nfs/dbraw/zinc/76/77/61/562767761.db2.gz	JPKNDIAWWOYACR-GMKPQLIGSA-N	2	3	515.835	4.822	3	0		KJAFHP