smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)n1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)c2ccccc21	ZINC000217946425	557175200	/nfs/dbraw/zinc/17/52/00/557175200.db2.gz	HRHOVZHGSNEKQV-JWVZEJEHSA-N	1	1	431.624	5.186	40	70		IKIBMO
O=C(c1cc2c(ccc3ccccc23)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000218494829	557203228	/nfs/dbraw/zinc/20/32/28/557203228.db2.gz	IMAXZRBZYBQUIL-UHFFFAOYSA-N	1	1	446.550	6.133	40	70		IKIBMO
CC(C)c1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1	ZINC000218078880	557176720	/nfs/dbraw/zinc/17/67/20/557176720.db2.gz	CZEUZHQWBFENOK-UHFFFAOYSA-N	1	1	426.604	5.731	40	70		IKIBMO
O=C(/C(=C/c1ccco1)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000218100926	557177207	/nfs/dbraw/zinc/17/72/07/557177207.db2.gz	PMUNHDQYYOLRJI-WEMUOSSPSA-N	1	1	448.566	5.754	40	70		IKIBMO
CC(C)n1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)c2ccccc21	ZINC000217946501	557175138	/nfs/dbraw/zinc/17/51/38/557175138.db2.gz	HRHOVZHGSNEKQV-XMQYJYNESA-N	1	1	431.624	5.186	40	70		IKIBMO