smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CCCNC(N)=[NH2+])cc2ccccc21	ZINC000004534086	522706081	/nfs/dbraw/zinc/70/60/81/522706081.db2.gz	SYEDKPVXKRDNKP-QZTJIDSGSA-N	2	1	485.593	0.126	50	0		JCAAMP
C[NH+](C)CCN1C(=O)C[C@@](CC(=O)N2CC[NH+](CCO)CC2)(c2ccccc2Cl)C1=O	ZINC000012040624	1069511772	/nfs/dbraw/zinc/51/17/72/1069511772.db2.gz	UFUIWLSHMQJRKG-QFIPXVFZSA-N	2	1	450.967	0.425	50	0		JCAAMP
C[NH+](C)CCN1C(=O)C[C@](CC(=O)N2CC[NH+](CCO)CC2)(c2ccccc2Cl)C1=O	ZINC000012040627	1069511712	/nfs/dbraw/zinc/51/17/12/1069511712.db2.gz	UFUIWLSHMQJRKG-JOCHJYFZSA-N	2	1	450.967	0.425	50	0		JCAAMP
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc2ccccc2c1	ZINC000013541030	526817336	/nfs/dbraw/zinc/81/73/36/526817336.db2.gz	NISFAIXCOKCVHV-ROUUACIJSA-N	2	1	455.567	0.117	50	0		JCAAMP
COc1cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CCCNC(N)=[NH2+])cc2ccccc21	ZINC000013543740	555489480	/nfs/dbraw/zinc/48/94/80/555489480.db2.gz	SYEDKPVXKRDNKP-ROUUACIJSA-N	2	1	485.593	0.126	50	0		JCAAMP
CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[N@@H+](C)CCN3CCOCC3)cc2OC)CC1	ZINC000022919495	1067812955	/nfs/dbraw/zinc/81/29/55/1067812955.db2.gz	UBNVMPPQDHUAGD-JOCHJYFZSA-N	2	1	450.624	0.836	50	0		JCAAMP
CC[NH+]1CCN(C[C@H](O)COc2ccc(C[N@@H+](C)CCN3CCOCC3)cc2OC)CC1	ZINC000022919501	1067812721	/nfs/dbraw/zinc/81/27/21/1067812721.db2.gz	UBNVMPPQDHUAGD-QFIPXVFZSA-N	2	1	450.624	0.836	50	0		JCAAMP
C[NH+]1CCN(C[C@H]2C[C@@H](C(=O)NCCN3CCOCC3)C[N@@H+](CCc3ccccc3)C2)CC1	ZINC000023352470	1067895223	/nfs/dbraw/zinc/89/52/23/1067895223.db2.gz	UQUXIJAWXFKRDB-JWQCQUIFSA-N	2	1	457.663	0.863	50	0		JCAAMP
C[NH+]1CCN(C[C@H]2C[C@@H](C(=O)NCCN3CCNC3=O)C[N@@H+](CCc3ccccc3)C2)CC1	ZINC000023353692	1067895273	/nfs/dbraw/zinc/89/52/73/1067895273.db2.gz	XTLDYPHTFKGGPI-DHIUTWEWSA-N	2	1	456.635	0.556	50	0		JCAAMP
COc1ccc(OC)c(S(=O)(=O)N(CC[NH+]2CCCCC2)CC(=O)N2CC[NH2+]CC2)c1	ZINC000045974774	524873486	/nfs/dbraw/zinc/87/34/86/524873486.db2.gz	QHXHKUWSFPQQAV-UHFFFAOYSA-N	2	1	454.593	0.612	50	0		JCAAMP
COc1ccc(S(=O)(=O)N(CC[NH+]2CCCCC2)CC(=O)N2CC[NH2+]CC2)cc1OC	ZINC000045974776	525014724	/nfs/dbraw/zinc/01/47/24/525014724.db2.gz	OAOKAWFJOPODPM-UHFFFAOYSA-N	2	1	454.593	0.612	50	0		JCAAMP
CC[NH+]1CCN([C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@H](N5CC[NH+](CC)CC5)C4=O)cc3)C2=O)CC1	ZINC000103487977	569835381	/nfs/dbraw/zinc/83/53/81/569835381.db2.gz	WERAYONRYLNJRD-VXKWHMMOSA-N	2	1	496.612	0.225	50	0		JCAAMP
CC[NH+]1CCN([C@@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H](N5CC[NH+](CC)CC5)C4=O)cc3)C2=O)CC1	ZINC000103487980	569835334	/nfs/dbraw/zinc/83/53/34/569835334.db2.gz	WERAYONRYLNJRD-FGZHOGPDSA-N	2	1	496.612	0.225	50	0		JCAAMP
C[NH+]1CCN(NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]2)CC1	ZINC000725712457	1070765094	/nfs/dbraw/zinc/76/50/94/1070765094.db2.gz	YVKGPVNMAKDLJE-GOSISDBHSA-N	2	1	474.997	0.975	50	0		JCAAMP
C[NH+]1CCN(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]2)CC1	ZINC000725712458	1070765150	/nfs/dbraw/zinc/76/51/50/1070765150.db2.gz	YVKGPVNMAKDLJE-SFHVURJKSA-N	2	1	474.997	0.975	50	0		JCAAMP