smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([C@@H]1CC12CC[NH+](C1CCOCC1)CC2)N1CC[NH+](C2CC2)CC1	ZINC000103244083	219274288	/nfs/dbraw/zinc/27/42/88/219274288.db2.gz	NJFZTKMJPXQEAK-SFHVURJKSA-N	2	1	347.503	1.574	1	0		EDAFMP
NC(=[NH2+])c1ccc(NC(=O)Cc2nc3ccc(C(N)=[NH2+])cc3[nH]2)cc1	ZINC000045302382	518196926	/nfs/dbraw/zinc/19/69/26/518196926.db2.gz	DOOKIIMZRHLUSB-UHFFFAOYSA-N	2	1	335.371	1.312	1	0		EDAFMP
[NH3+]C[C@@H]1CN(c2[nH+]cnc3[nH]cc(-c4cccc(CO)c4)c32)CCO1	ZINC000082155052	217478948	/nfs/dbraw/zinc/47/89/48/217478948.db2.gz	XYTDDDZEIXYDNO-CQSZACIVSA-N	2	1	339.399	1.281	1	0		EDAFMP
[NH2+]=C1NC(=[NH2+])N(OCCCOc2ccccc2)C2(CCCCC2)N1	ZINC000072111041	216010132	/nfs/dbraw/zinc/01/01/32/216010132.db2.gz	SKLBDXCGGPLAAM-UHFFFAOYSA-N	2	1	331.420	1.993	1	0		EDAFMP
O=C([C@H]1CC12CC[NH+](C1CCOCC1)CC2)N1CC[NH+](C2CC2)CC1	ZINC000103244085	204068593	/nfs/dbraw/zinc/06/85/93/204068593.db2.gz	NJFZTKMJPXQEAK-GOSISDBHSA-N	2	1	347.503	1.574	1	0		EDAFMP
Nc1[nH+]cnc2c1c(-c1ccc(O)cc1)cn2[C@@H]1C[NH2+][C@@H](CO)C1	ZINC000003827991	210078875	/nfs/dbraw/zinc/07/88/75/210078875.db2.gz	SKYAUASQUBDEOI-NEPJUHHUSA-N	2	1	325.372	1.281	1	0		EDAFMP
Clc1ccc2c(c1)[nH+]ccc2N1CC[NH2+]CCNCC[NH2+]CC1	ZINC000066077767	215006242	/nfs/dbraw/zinc/00/62/42/215006242.db2.gz	RPEJFFLXIPXYES-UHFFFAOYSA-N	3	1	333.867	1.477	1	0		EDAFMP
CC[NH+]1CCN(C(=O)Cn2[nH+]cc3c4ccccc4nc-3c2O)CC1	ZINC000101787030	219164693	/nfs/dbraw/zinc/16/46/93/219164693.db2.gz	JNCWKAJZBINMSK-UHFFFAOYSA-N	2	1	339.399	1.406	1	0		EDAFMP
Nc1[nH+]cnc2c1c(-c1ccc(O)cc1)cn2[C@@H]1C[NH2+][C@H](CO)C1	ZINC000040896448	213398447	/nfs/dbraw/zinc/39/84/47/213398447.db2.gz	SKYAUASQUBDEOI-RYUDHWBXSA-N	2	1	325.372	1.281	1	0		EDAFMP