smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@@H+]1C[C@H]2C[C@H](Cn4c(=O)cccc42)C1)CC3	ZINC000217407621	568472039	/nfs/dbraw/zinc/47/20/39/568472039.db2.gz	FAHKQVDBQYDALV-ZWKOTPCHSA-N	1	1	416.525	2.642	40	70		HFIBMO
O=C(Cn1ncc2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21	ZINC000218032862	568474749	/nfs/dbraw/zinc/47/47/49/568474749.db2.gz	LBGKSLBUGGDVDR-JXKFMYIUSA-N	1	1	418.541	2.818	40	70		HFIBMO
Cc1nc(Nc2ccc(I)cc2)cc(N2CC[NH+](C)CC2)n1	ZINC000216849102	568468311	/nfs/dbraw/zinc/46/83/11/568468311.db2.gz	CPYBVBCMCUUQNI-UHFFFAOYSA-N	1	1	409.275	2.885	40	70		HFIBMO
O=C([C@H](c1ccccc1)n1cnnn1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21	ZINC000218120703	568475222	/nfs/dbraw/zinc/47/52/22/568475222.db2.gz	DBNXODGUIPCCQD-SPHOGXRMSA-N	1	1	418.545	2.684	40	70		HFIBMO
O=C([C@H](c1ccccc1)n1cnnn1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21	ZINC000218120788	568475296	/nfs/dbraw/zinc/47/52/96/568475296.db2.gz	DBNXODGUIPCCQD-BFRACDOUSA-N	1	1	418.545	2.684	40	70		HFIBMO
COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000216796849	568467778	/nfs/dbraw/zinc/46/77/78/568467778.db2.gz	KSTLRUDBTXJJFR-VAWYXSNFSA-N	1	1	409.486	2.743	40	70		HFIBMO
O=C(Cn1ncc2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21	ZINC000218032767	568474720	/nfs/dbraw/zinc/47/47/20/568474720.db2.gz	LBGKSLBUGGDVDR-MNHFLQJXSA-N	1	1	418.541	2.818	40	70		HFIBMO
CC(C)c1ccc(OCC(=O)NCCC[NH+]2CCN(C)CC2)c(Br)c1	ZINC000217010031	568470234	/nfs/dbraw/zinc/47/02/34/568470234.db2.gz	QLTQCGVODGNWES-UHFFFAOYSA-N	1	1	412.372	2.705	40	70		HFIBMO
C[NH+]1CCC(Oc2ccc(NC(=O)c3ccccc3NS(C)(=O)=O)cc2)CC1	ZINC000216940000	568469450	/nfs/dbraw/zinc/46/94/50/568469450.db2.gz	DMZCXUDGZLAGHD-UHFFFAOYSA-N	1	1	403.504	2.783	40	70		HFIBMO
CN1CC[NH+](CCCNC(=O)COc2ccc3ccccc3c2Br)CC1	ZINC000217010805	568470182	/nfs/dbraw/zinc/47/01/82/568470182.db2.gz	LEVUVFXHKWHRIT-UHFFFAOYSA-N	1	1	420.351	2.735	40	70		HFIBMO