smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	ZINC000008034747	560206696	/nfs/dbraw/zinc/20/66/96/560206696.db2.gz	IHTRXNSHXJVZTC-UHFFFAOYSA-N	1	1	418.454	2.202	40	70	in-vitro	HEIBMO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1	ZINC000217438507	568471982	/nfs/dbraw/zinc/47/19/82/568471982.db2.gz	WFXJDXAYENAAMX-ZMSDIMECSA-N	1	1	419.319	2.470	40	70		HEIBMO
Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1S(=O)(=O)N1CCCCCC1	ZINC000218517329	568481375	/nfs/dbraw/zinc/48/13/75/568481375.db2.gz	JBLIDRFVCOQRJH-UHFFFAOYSA-N	1	1	423.579	2.012	40	70		HEIBMO
CN1CC[NH+](CCCNC(=O)COc2ccc(Br)cc2Cl)CC1	ZINC000217011568	568470170	/nfs/dbraw/zinc/47/01/70/568470170.db2.gz	HWXPCKBQIQCLDP-UHFFFAOYSA-N	1	1	404.736	2.235	40	70		HEIBMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1ccc(OC)c(OC)c1	ZINC000216844381	568468164	/nfs/dbraw/zinc/46/81/64/568468164.db2.gz	ZUVXAOCANFZPNH-UHFFFAOYSA-N	1	1	413.474	2.352	40	70		HEIBMO
COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)c(OC)c1	ZINC000217817182	568474059	/nfs/dbraw/zinc/47/40/59/568474059.db2.gz	ZRKBYTNENHBEQG-JENIJYKNSA-N	1	1	415.534	2.437	40	70		HEIBMO
Cc1cccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1C	ZINC000218280486	568477293	/nfs/dbraw/zinc/47/72/93/568477293.db2.gz	RZIIJYIHAXUIEY-UHFFFAOYSA-N	1	1	415.559	2.414	40	70		HEIBMO
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)cc1	ZINC000218408235	568480050	/nfs/dbraw/zinc/48/00/50/568480050.db2.gz	CUVNKMQTZIUHTE-UHFFFAOYSA-N	1	1	417.531	2.248	40	70		HEIBMO
COc1ccc(OC)c(N2C[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)c1	ZINC000217910104	568474332	/nfs/dbraw/zinc/47/43/32/568474332.db2.gz	FWRCJYBVEAARJG-JENIJYKNSA-N	1	1	415.534	2.437	40	70		HEIBMO