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)c1ccc2oc(=O)cc(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2c1	ZINC000217568230	570318521	/nfs/dbraw/zinc/31/85/21/570318521.db2.gz	HNQQIZKIRWUJKQ-QFBILLFUSA-N	1	1	390.483	3.697	40	70		GHIBMO
C[NH+]1CCN(c2cc(Nc3ccc(OCc4ccccc4)cc3)ncn2)CC1	ZINC000216847470	136203197	/nfs/dbraw/zinc/20/31/97/136203197.db2.gz	KRBKNQODAWSISG-UHFFFAOYSA-N	1	1	375.476	3.551	40	70		GHIBMO
O=C(Cc1ccc2c(c1)CCO2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21	ZINC000218002728	570323726	/nfs/dbraw/zinc/32/37/26/570323726.db2.gz	UVJUJZYEQVRBKF-XOEOCAAJSA-N	1	1	392.543	3.586	40	70		GHIBMO
CSc1nc(Nc2ccc(C(F)(F)F)cc2)cc(N2CC[NH+](C)CC2)n1	ZINC000216851802	136203186	/nfs/dbraw/zinc/20/31/86/136203186.db2.gz	DYMUEULAYWMATH-UHFFFAOYSA-N	1	1	383.443	3.713	40	70		GHIBMO
O=C(c1cc(-c2ccco2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21	ZINC000218045236	208833797	/nfs/dbraw/zinc/83/37/97/208833797.db2.gz	ZJMFCZQVQSFMSJ-KAULMNLWSA-N	1	1	392.503	3.705	40	70		GHIBMO
CSc1nc(Nc2cccc(C(F)(F)F)c2)cc(N2CC[NH+](C)CC2)n1	ZINC000216851762	136203249	/nfs/dbraw/zinc/20/32/49/136203249.db2.gz	NPRVEZXQJKGBAZ-UHFFFAOYSA-N	1	1	383.443	3.713	40	70		GHIBMO
O=C(Cc1ccc2c(c1)CCO2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21	ZINC000218002652	570323786	/nfs/dbraw/zinc/32/37/86/570323786.db2.gz	UVJUJZYEQVRBKF-MTQWNXOMSA-N	1	1	392.543	3.586	40	70		GHIBMO
O=C(c1cc(-c2ccco2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21	ZINC000218045153	570324483	/nfs/dbraw/zinc/32/44/83/570324483.db2.gz	ZJMFCZQVQSFMSJ-AXRVMRSRSA-N	1	1	392.503	3.705	40	70		GHIBMO
Cc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(N2CC[NH+](C)CC2)n1	ZINC000216849570	136203155	/nfs/dbraw/zinc/20/31/55/136203155.db2.gz	XWTYGZUKQZLVFU-UHFFFAOYSA-N	1	1	385.821	3.953	40	70		GHIBMO