smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])c1ccc(NC(=O)Cc2nc3cc(C(N)=[NH2+])ccc3[nH]2)cc1	ZINC000045302382	518196925	/nfs/dbraw/zinc/19/69/25/518196925.db2.gz	DOOKIIMZRHLUSB-UHFFFAOYSA-N	2	0	335.371	1.312	1	0		EDAFRP
NC(=[NH2+])c1ccc(C(=O)NCCOc2cccc(C(N)=[NH2+])c2)cc1	ZINC000013518252	211568980	/nfs/dbraw/zinc/56/89/80/211568980.db2.gz	AHQQGKFTYCITGQ-UHFFFAOYSA-N	2	0	325.372	1.064	1	0		EDAFRP
CN1CCN(C(=O)Cn2[nH+]cc3c4ccccc4nc-3c2O)CC1	ZINC000101969445	219176471	/nfs/dbraw/zinc/17/64/71/219176471.db2.gz	CSEOJBOVDSFTDA-UHFFFAOYSA-N	2	0	325.372	1.016	1	0		EDAFRP
CC(C)(C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H]([NH3+])CCC[NH3+]	ZINC000073240709	216367820	/nfs/dbraw/zinc/36/78/20/216367820.db2.gz	ZAJURRMQGXZAIH-CVEARBPZSA-N	2	0	348.491	1.085	1	0		EDAFRP
O=C([C@H]1CC12CC[NH+](C1CCOCC1)CC2)N1CCN(C2CC2)CC1	ZINC000103244085	204068589	/nfs/dbraw/zinc/06/85/89/204068589.db2.gz	NJFZTKMJPXQEAK-GOSISDBHSA-N	2	0	347.503	1.574	1	0		EDAFRP
O=C(Nc1ccc(C2=[NH+]CCN2)cc1)c1ccc(C2=[NH+]CCN2)cc1	ZINC000103258082	204070911	/nfs/dbraw/zinc/07/09/11/204070911.db2.gz	IQOAKMRPXDYBPD-UHFFFAOYSA-N	2	0	333.395	1.639	1	0		EDAFRP
O=C1CN(c2ccc(Cc3ccc(N4CC(=O)[O+]=N4)cc3)cc2)N=[O+]1	ZINC000103194421	219267959	/nfs/dbraw/zinc/26/79/59/219267959.db2.gz	QYJGTRJOHAQJJS-UHFFFAOYSA-P	2	0	338.323	1.218	1	0		EDAFRP
CC1(C)C=C(C(=O)NC[C@H](O)C[NH2+]Cc2cccs2)C(C)(C)[NH2+]1	ZINC000040828603	213391158	/nfs/dbraw/zinc/39/11/58/213391158.db2.gz	BHKJDHUTVPRBGQ-GFCCVEGCSA-N	2	0	337.489	1.402	1	0		EDAFRP
Clc1ccc2c(c1)nccc2N1CC[NH2+]CCNCC[NH2+]CC1	ZINC000066077767	215006239	/nfs/dbraw/zinc/00/62/39/215006239.db2.gz	RPEJFFLXIPXYES-UHFFFAOYSA-N	3	0	333.867	1.477	1	0		EDAFRP
COc1ccc(-c2cc(C(=O)N3CC[C@@H]([NH3+])C3)nc(C)c2C[NH3+])cc1	ZINC000066128750	215015911	/nfs/dbraw/zinc/01/59/11/215015911.db2.gz	WSLJQIQJVUKIDR-CQSZACIVSA-N	2	0	340.427	1.698	1	0		EDAFRP
CC[NH2+]C/C=C\C[NH2+]C/C=C\C[NH2+]C/C=C\C[NH2+]C/C=C\C[NH2+]CC	ZINC000027414647	202154963	/nfs/dbraw/zinc/15/49/63/202154963.db2.gz	HSXCZXNXIXKGQK-CAVFYFSLSA-N	5	0	349.567	1.199	1	0		EDAFRP
[NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(=O)CCc1ccccc1	ZINC000049089602	213986543	/nfs/dbraw/zinc/98/65/43/213986543.db2.gz	GLVZEIGFWZGDFV-UHFFFAOYSA-N	3	0	334.508	1.434	1	0	in-vivo	EDAFRP