smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCCNc1c2[nH]c3ccc(F)cc3c2[n+](C)c2ccccc21	ZINC000040421353	205064797	/nfs/dbraw/zinc/06/47/97/205064797.db2.gz	IZOSXZOOISAAHJ-UHFFFAOYSA-O	2	0	379.503	4.582	1	5		GJBFRP
Cc1c2c3cc(O)ccc3n(C)c2c(C)c2cc[nH+]c(NCCC[NH+](C)C)c12	ZINC000029546290	210547378	/nfs/dbraw/zinc/54/73/78/210547378.db2.gz	HAXZJVNGSUXYCM-UHFFFAOYSA-N	2	0	376.504	4.566	1	5		GJBFRP
COc1ccc2c3c(ccc2c1)n(C)c1c3c(NCCC[NH+](C)C)[nH+]cc1C	ZINC000029318091	204889124	/nfs/dbraw/zinc/88/91/24/204889124.db2.gz	GLSFMBYLYOEMTQ-UHFFFAOYSA-N	2	0	376.504	4.560	1	5		GJBFRP
[NH3+]C1CCC([NH2+]CCCC[NH2+]Cc2c3ccccc3cc3ccccc32)CC1	ZINC000013529684	221271924	/nfs/dbraw/zinc/27/19/24/221271924.db2.gz	WZMGVGQCDBCNHZ-UHFFFAOYSA-N	3	0	375.560	4.722	1	5		GJBFRP
CC[N@H+](CCCC[NH3+])CCCC[NH2+]Cc1c2ccccc2cc2ccccc21	ZINC000029055552	221689190	/nfs/dbraw/zinc/68/91/90/221689190.db2.gz	IQXMRBSNLKAISX-UHFFFAOYSA-N	3	0	377.576	4.924	1	5		GJBFRP
COc1cccc2c3c(ccc12)c1c(c(C)c[nH+]c1NCCC[NH+](C)C)n3C	ZINC000029325354	207360097	/nfs/dbraw/zinc/36/00/97/207360097.db2.gz	ZYGRTNVWEAAOMR-UHFFFAOYSA-N	2	0	376.504	4.560	1	5		GJBFRP
CC[NH+](CC)CCn1nc2c3c1ccc(NCCC[NH3+])c3sc1ccccc21	ZINC000029331220	207359574	/nfs/dbraw/zinc/35/95/74/207359574.db2.gz	BVUVRHREFJDHRQ-UHFFFAOYSA-N	2	0	395.576	4.507	1	5		GJBFRP
CC[N@H+](CCCC[NH2+]CCCC[NH3+])Cc1c2ccccc2cc2ccccc21	ZINC000013644759	221277649	/nfs/dbraw/zinc/27/76/49/221277649.db2.gz	GBDPXYDFTIIEBD-UHFFFAOYSA-N	3	0	377.576	4.924	1	5		GJBFRP
COc1ccc2c3c(ccc2c1)[nH]c1c3c(NC[C@H](C)C[NH+](C)C)[nH+]cc1C	ZINC000029320537	221692650	/nfs/dbraw/zinc/69/26/50/221692650.db2.gz	FHNWOLTYICQEOT-AWEZNQCLSA-N	2	0	376.504	4.796	1	5		GJBFRP