smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C=[NH+][N-]c2ncc(F)c(N3CCOCC3)n2)CC1	ZINC000032109585	556530049	/nfs/dbraw/zinc/53/00/49/556530049.db2.gz	WURYQMAGYSUGNE-QRVIBDJDSA-N	1	2	444.471	1.558	40	30		IDEBLO
C=CC[NH+]1CCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2cc(OC)ccc2OC)CC1	ZINC000019551219	557500581	/nfs/dbraw/zinc/50/05/81/557500581.db2.gz	NLWGZBMHPQBXQU-WIYYLYMNSA-N	1	2	428.537	1.762	40	30		IDEBLO
C=CC[NH+]1CCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2ccc(OC)cc2OC)CC1	ZINC000020140804	557516056	/nfs/dbraw/zinc/51/60/56/557516056.db2.gz	MFXJKIRQUYUNDE-WIYYLYMNSA-N	1	2	428.537	1.762	40	30		IDEBLO
C[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=C2c3ccccc3NC2=O)CC1	ZINC000059489824	557826087	/nfs/dbraw/zinc/82/60/87/557826087.db2.gz	IUCNEQNKMDAAIW-UHFFFAOYSA-N	1	2	444.473	1.299	40	30		IDEBLO
Cc1cc(C)nc(N=C(NCCc2c[nH]c[nH+]2)NC(=O)CN2C(=O)c3ccccc3C2=O)n1	ZINC000014729868	556436226	/nfs/dbraw/zinc/43/62/26/556436226.db2.gz	HHCLZVKWKVJDON-UHFFFAOYSA-N	1	2	446.471	1.240	40	30		IDEBLO
Cc1cc(C)nc(N=C(NCCc2c[nH+]c[nH]2)NC(=O)CN2C(=O)c3ccccc3C2=O)n1	ZINC000014729868	556436229	/nfs/dbraw/zinc/43/62/29/556436229.db2.gz	HHCLZVKWKVJDON-UHFFFAOYSA-N	1	2	446.471	1.240	40	30		IDEBLO
C=CC[NH+]1CCN([C@H](c2nnnn2C[C@@H]2CCCO2)c2ccc(OC)cc2OC)CC1	ZINC000020140801	557515890	/nfs/dbraw/zinc/51/58/90/557515890.db2.gz	MFXJKIRQUYUNDE-RXVVDRJESA-N	1	2	428.537	1.762	40	30		IDEBLO
NC(=S)N/[NH+]=C/c1ccc(N2CCN(c3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1	ZINC000059488544	557825657	/nfs/dbraw/zinc/82/56/57/557825657.db2.gz	VBNGIWZNDJVKSR-SRZZPIQSSA-N	1	2	428.474	1.817	40	30		IDEBLO
C=CCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000029762785	518943476	/nfs/dbraw/zinc/94/34/76/518943476.db2.gz	CDWFTVZNTQDHEG-UHFFFAOYSA-N	1	2	442.541	1.791	40	30		IDEBLO
N#Cc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H]([NH+]3CCN(c4ccccc4)CC3)[C@H]2O)c1	ZINC000012489797	526720419	/nfs/dbraw/zinc/72/04/19/526720419.db2.gz	RWVVXACOCYVAIY-FWKCKQQBSA-N	1	2	449.511	1.355	40	30	biogenic,in-vitro	IDEBLO
C=CC[NH+]1CCN([C@@H](c2nnnn2C[C@@H]2CCCO2)c2cc(OC)ccc2OC)CC1	ZINC000019551215	557500370	/nfs/dbraw/zinc/50/03/70/557500370.db2.gz	NLWGZBMHPQBXQU-GHTZIAJQSA-N	1	2	428.537	1.762	40	30		IDEBLO
CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](OS(C)(=O)=O)[C@@H]1[NH2+]Cc1ccccc1	ZINC000071782976	556609258	/nfs/dbraw/zinc/60/92/58/556609258.db2.gz	PWNMKXZTEXGGMG-WLNPFYQQSA-N	1	2	449.525	1.975	40	30		IDEBLO
Cc1nnc(SC=C(O)NC(=NCCc2c[nH+]c[nH]2)Nc2nc(C)cc(C)n2)s1	ZINC000014729885	556436413	/nfs/dbraw/zinc/43/64/13/556436413.db2.gz	NUJBBANSXZTJCK-UHFFFAOYSA-N	1	2	431.551	1.896	40	30		IDEBLO
C=CC[NH+]1CCN([C@@H](c2nnnn2C[C@@H]2CCCO2)c2ccc(OC)cc2OC)CC1	ZINC000020140798	557516035	/nfs/dbraw/zinc/51/60/35/557516035.db2.gz	MFXJKIRQUYUNDE-GHTZIAJQSA-N	1	2	428.537	1.762	40	30		IDEBLO
NC(=S)N/[NH+]=C/c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1	ZINC000059488543	557825649	/nfs/dbraw/zinc/82/56/49/557825649.db2.gz	FTNALDXWXIYWIU-UDWIEESQSA-N	1	2	429.462	1.997	40	30		IDEBLO
C=CC[NH+]1CCN([C@H](c2nnnn2C[C@H]2CCCO2)c2cc(OC)ccc2OC)CC1	ZINC000019551221	557500641	/nfs/dbraw/zinc/50/06/41/557500641.db2.gz	NLWGZBMHPQBXQU-NQIIRXRSSA-N	1	2	428.537	1.762	40	30		IDEBLO
Cc1cc(C)nc(NC(=NCCc2c[nH+]c[nH]2)NC(O)=CSc2nnc(N)s2)n1	ZINC000014729886	556436241	/nfs/dbraw/zinc/43/62/41/556436241.db2.gz	CEOURXOZTPPUNB-UHFFFAOYSA-N	1	2	432.539	1.169	40	30		IDEBLO
CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](OS(C)(=O)=O)[C@H]1[NH2+]Cc1ccccc1	ZINC000071782975	556609291	/nfs/dbraw/zinc/60/92/91/556609291.db2.gz	PWNMKXZTEXGGMG-GFJXEVPCSA-N	1	2	449.525	1.975	40	30		IDEBLO
CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](OS(C)(=O)=O)[C@H]1[NH2+]Cc1ccccc1	ZINC000071782974	556609212	/nfs/dbraw/zinc/60/92/12/556609212.db2.gz	PWNMKXZTEXGGMG-WVYKEMLSSA-N	1	2	449.525	1.975	40	30		IDEBLO
C=CCNC(=S)OCC[NH+](CCOC(=S)NCC=C)CCOC(=S)NCC=C	ZINC000104332199	568807214	/nfs/dbraw/zinc/80/72/14/568807214.db2.gz	FCZZGFKJGSWIGS-UHFFFAOYSA-N	1	2	446.664	1.520	40	30		IDEBLO
CC[NH+](CC)CN1c2ccccc2/C(=N/NS(=O)(=O)c2ccc(NC(C)=O)cc2)C1=O	ZINC000100930751	557278839	/nfs/dbraw/zinc/27/88/39/557278839.db2.gz	TZBUCWYGZWSZSB-ATJXCDBQSA-N	1	2	443.529	1.974	40	30		IDEBLO
Cc1ccnc(SC=C(O)NC(=NCCc2c[nH+]c[nH]2)Nc2nc(C)cc(C)n2)n1	ZINC000014729881	556436451	/nfs/dbraw/zinc/43/64/51/556436451.db2.gz	LBOIIDKMNMOEGE-UHFFFAOYSA-N	1	2	425.522	1.834	40	30		IDEBLO
C=CC[NH+]1CCN([C@H](c2nnnn2C[C@H]2CCCO2)c2ccc(OC)cc2OC)CC1	ZINC000020140807	557515896	/nfs/dbraw/zinc/51/58/96/557515896.db2.gz	MFXJKIRQUYUNDE-NQIIRXRSSA-N	1	2	428.537	1.762	40	30		IDEBLO
CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](OS(C)(=O)=O)[C@@H]1[NH2+]Cc1ccccc1	ZINC000071782977	556609228	/nfs/dbraw/zinc/60/92/28/556609228.db2.gz	PWNMKXZTEXGGMG-KKFDQILXSA-N	1	2	449.525	1.975	40	30		IDEBLO
C=CC[NH+]1CCN([C@H](c2nnnn2C[C@@H]2CCCO2)c2cc(OC)ccc2OC)CC1	ZINC000019551217	557500570	/nfs/dbraw/zinc/50/05/70/557500570.db2.gz	NLWGZBMHPQBXQU-RXVVDRJESA-N	1	2	428.537	1.762	40	30		IDEBLO