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(-c2cc3cc(C(N)=[NH2+])cc([O-])c3o2)c([O-])c1	ZINC000040937093	183149392	/nfs/dbraw/zinc/14/93/92/183149392.db2.gz	SMUVQLBWYIBURH-UHFFFAOYSA-N	2	1	310.313	2.079	1	0		DEAFMP
CC(C)c1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C)CC1	ZINC000049037099	402011301	/nfs/dbraw/zinc/01/13/01/402011301.db2.gz	YIUWNBCQCZLUCK-MRXNPFEDSA-N	2	1	306.450	2.234	1	0		DEAFMP
COc1ccc(CN(CC[NH3+])[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1	ZINC000022920751	182340885	/nfs/dbraw/zinc/34/08/85/182340885.db2.gz	UAAWLEXGHZWUTA-DAYGRLMNSA-N	2	1	305.466	2.185	1	0		DEAFMP
Nc1[nH+]cnc2c1c(-c1cccc(O)c1)cn2C1CC[NH2+]CC1	ZINC000040379369	183057862	/nfs/dbraw/zinc/05/78/62/183057862.db2.gz	CIGMIXWAESLRNR-UHFFFAOYSA-N	2	1	309.373	2.311	1	0		DEAFMP
NC(=[NH2+])c1ccc(-c2ccc(Cc3ccc(C(N)=[NH2+])cn3)o2)o1	ZINC000066166517	184394773	/nfs/dbraw/zinc/39/47/73/184394773.db2.gz	LSXUOQMNZQRFHD-UHFFFAOYSA-N	2	1	309.329	2.094	1	0		DEAFMP
O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N1CC[NH+]2CCC1CC2	ZINC000023312089	182356785	/nfs/dbraw/zinc/35/67/85/182356785.db2.gz	VLMVMBLYJIYBFN-ZDUSSCGKSA-N	2	1	305.447	2.093	1	0		DEAFMP
C[N@@H+]1C[C@H]2CN(C(=[NH2+])c3nc4cc(Cl)ccc4[nH]3)C[C@H]2C1	ZINC000073222210	191294755	/nfs/dbraw/zinc/29/47/55/191294755.db2.gz	YAAPBFJZQNGOFY-AOOOYVTPSA-N	2	1	303.797	2.035	1	0		DEAFMP
C[N@H+]1C[C@H]2CN(C(=[NH2+])c3nc4ccc(Cl)cc4[nH]3)C[C@H]2C1	ZINC000073222210	191294756	/nfs/dbraw/zinc/29/47/56/191294756.db2.gz	YAAPBFJZQNGOFY-AOOOYVTPSA-N	2	1	303.797	2.035	1	0		DEAFMP
C[N@@H+]1C[C@H]2CN(C(=[NH2+])c3nc4ccc(Cl)cc4[nH]3)C[C@H]2C1	ZINC000073222210	191294759	/nfs/dbraw/zinc/29/47/59/191294759.db2.gz	YAAPBFJZQNGOFY-AOOOYVTPSA-N	2	1	303.797	2.035	1	0		DEAFMP
CC(C)[NH+]1CCC(N2CC[N@H+](C3CCCC3)C[C@@H]2CCO)CC1	ZINC000020540596	182228913	/nfs/dbraw/zinc/22/89/13/182228913.db2.gz	QIDLVEPHZGZDJI-IBGZPJMESA-N	2	1	323.525	2.170	3	0		DEAFMP
CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C)CC1	ZINC000049037101	354357824	/nfs/dbraw/zinc/35/78/24/354357824.db2.gz	YIUWNBCQCZLUCK-INIZCTEOSA-N	2	1	306.450	2.234	1	0		DEAFMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(OCc2ccccc2)c1	ZINC000013740725	581092206	/nfs/dbraw/zinc/09/22/06/581092206.db2.gz	NWKSIOXQSXRKQV-UHFFFAOYSA-N	2	1	323.400	2.451	1	0		DEAFMP
O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CC[NH+]2CCC1CC2	ZINC000023312093	182356750	/nfs/dbraw/zinc/35/67/50/182356750.db2.gz	VLMVMBLYJIYBFN-CYBMUJFWSA-N	2	1	305.447	2.093	1	0		DEAFMP
C[N@H+](CCCc1ccccc1)Cc1cn(C2CC[NH2+]CC2)nn1	ZINC000023251509	182354500	/nfs/dbraw/zinc/35/45/00/182354500.db2.gz	JFYIRDDBSAZISI-UHFFFAOYSA-N	2	1	313.449	2.267	1	0		DEAFMP
C[N@@H+](CCCc1ccccc1)Cc1cn(C2CC[NH2+]CC2)nn1	ZINC000023251509	182354503	/nfs/dbraw/zinc/35/45/03/182354503.db2.gz	JFYIRDDBSAZISI-UHFFFAOYSA-N	2	1	313.449	2.267	1	0		DEAFMP
CCC[N@@H+]1CCN(Cc2ccccc2Cl)[C@@H](C2=[NH+]CCN2)C1	ZINC000058627275	184125521	/nfs/dbraw/zinc/12/55/21/184125521.db2.gz	VYDKGPCAAMBPOC-MRXNPFEDSA-N	2	1	320.868	2.238	1	0		DEAFMP
CCC[N@H+]1CCN(Cc2ccccc2Cl)[C@@H](C2=[NH+]CCN2)C1	ZINC000058627275	184125522	/nfs/dbraw/zinc/12/55/22/184125522.db2.gz	VYDKGPCAAMBPOC-MRXNPFEDSA-N	2	1	320.868	2.238	1	0		DEAFMP
CC(C)[N@@H+]1CCN(Cc2ccccc2Cl)[C@@H](C2=[NH+]CCN2)C1	ZINC000058497995	184120339	/nfs/dbraw/zinc/12/03/39/184120339.db2.gz	PWDNVKZORHILKX-MRXNPFEDSA-N	2	1	320.868	2.236	1	0		DEAFMP
CC(C)[N@H+]1CCN(Cc2ccccc2Cl)[C@@H](C2=[NH+]CCN2)C1	ZINC000058497995	184120341	/nfs/dbraw/zinc/12/03/41/184120341.db2.gz	PWDNVKZORHILKX-MRXNPFEDSA-N	2	1	320.868	2.236	1	0		DEAFMP
CC[NH2+][C@@H]1CC(=S)N2C[C@@H]3CCC[N@@H+]4CCC[C@H]([C@H]2C1)[C@H]34	ZINC000064559545	184299657	/nfs/dbraw/zinc/29/96/57/184299657.db2.gz	QHTCNYVLFOMDAG-XGYYKPKNSA-N	2	1	307.507	2.261	1	0		DEAFMP