smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2noc(-c3ccc(CSc4nccc(=O)[n-]4)cc3)n2)cc(OC)c1OC	ZINC000020228342	555719075	/nfs/dbraw/zinc/71/90/75/555719075.db2.gz	NHPNSIOWENFZHO-UHFFFAOYSA-N	-1	1	452.492	3.805	10	0		JHAEMM
O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2)cnc1N1CCC(CCN2CCOCC2)CC1	ZINC000064978875	526350873	/nfs/dbraw/zinc/35/08/73/526350873.db2.gz	ABQKEOJDZBJCNJ-UHFFFAOYSA-N	-1	1	472.973	3.624	10	0		JHAEMM
[O-]c1c(I)cc(CCc2ccncc2)cc1I	ZINC000004522467	562933520	/nfs/dbraw/zinc/93/35/20/562933520.db2.gz	CUDVJUIDMYVUMM-UHFFFAOYSA-N	-1	1	451.045	3.782	10	0		JHAEMM
CC(C)=CCOc1cc([C@@H]2CC(=O)c3c(O)cc([O-])cc3O2)cc2c1OC(C)(C)[C@@H](O)[C@H]2O	ZINC000035464260	519439506	/nfs/dbraw/zinc/43/95/06/519439506.db2.gz	LNFRDRVVARCALE-OEOAZWSVSA-N	-1	1	456.491	3.715	10	0		JHAEMM
O=C([O-])c1ccc(CN2Cc3[nH]cnc3C[C@H]2C(=O)N2CCC(Cc3ccccc3)CC2)cc1	ZINC000031153771	556392528	/nfs/dbraw/zinc/39/25/28/556392528.db2.gz	JEMHMAWYPMTTFT-VWLOTQADSA-N	-1	1	458.562	3.516	10	0	biogenic	JHAEMM
CC(C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000021712632	519661362	/nfs/dbraw/zinc/66/13/62/519661362.db2.gz	UKORHWBUGWBIEI-OAQYLSRUSA-N	-1	1	478.014	3.908	10	0		JHAEMM
CC(C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000021712629	519659506	/nfs/dbraw/zinc/65/95/06/519659506.db2.gz	UKORHWBUGWBIEI-NRFANRHFSA-N	-1	1	478.014	3.908	10	0		JHAEMM
O=C1[N-]C(=S)NC1=Cc1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1	ZINC000002059246	554015964	/nfs/dbraw/zinc/01/59/64/554015964.db2.gz	QZAFPMAGGBPCLS-YHYXMXQVSA-N	-1	1	473.102	3.725	10	0		JHAEMM
COCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)CCC1	ZINC000033277515	523313167	/nfs/dbraw/zinc/31/31/67/523313167.db2.gz	FUAXELDVJSWNBJ-UHFFFAOYSA-N	-1	1	481.412	3.824	10	0		JHAEMM
COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccc(C(=O)NC4CC4)cn3)cc2)cc1OC	ZINC000033138624	525085046	/nfs/dbraw/zinc/08/50/46/525085046.db2.gz	SGSVCKLUEYRNSW-UHFFFAOYSA-N	-1	1	485.587	3.943	10	0		JHAEMM
CC(C)CCNC(=O)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1	ZINC000013356985	555383680	/nfs/dbraw/zinc/38/36/80/555383680.db2.gz	GQHHHWSAXWPSOL-UHFFFAOYSA-N	-1	1	457.596	3.502	10	0		JHAEMM
O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2)cnc1N1CCC(CCN2CCOCC2)CC1	ZINC000064978866	526351044	/nfs/dbraw/zinc/35/10/44/526351044.db2.gz	NEESNVKTYSODDC-UHFFFAOYSA-N	-1	1	472.973	3.624	10	0		JHAEMM
CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)c2)C1	ZINC000021710719	519741126	/nfs/dbraw/zinc/74/11/26/519741126.db2.gz	XREPBHWTSZLWAZ-QHCPKHFHSA-N	-1	1	497.661	3.991	10	0		JHAEMM
O=C([O-])c1cc(NC(=O)c2ccccc2Cl)cnc1N1CCC(CCN2CCOCC2)CC1	ZINC000064978864	526350769	/nfs/dbraw/zinc/35/07/69/526350769.db2.gz	URRAISGBIKENPX-UHFFFAOYSA-N	-1	1	472.973	3.624	10	0		JHAEMM
CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)c2)C1	ZINC000021710716	519739323	/nfs/dbraw/zinc/73/93/23/519739323.db2.gz	XREPBHWTSZLWAZ-HSZRJFAPSA-N	-1	1	497.661	3.991	10	0		JHAEMM
CC(C)=CCOc1cc([C@@H]2CC(=O)c3c(O)cc([O-])cc3O2)cc2c1OC(C)(C)[C@@H](O)[C@@H]2O	ZINC000035464257	519439790	/nfs/dbraw/zinc/43/97/90/519439790.db2.gz	LNFRDRVVARCALE-ANJVHQHFSA-N	-1	1	456.491	3.715	10	0		JHAEMM
Cc1ccnn1CCC(=O)NCc1nc(-c2ccccc2[N-]S(=O)(=O)Cc2ccccc2)oc1C	ZINC000011788327	525777322	/nfs/dbraw/zinc/77/73/22/525777322.db2.gz	BKSODIOFWJXWPF-UHFFFAOYSA-N	-1	1	493.589	3.803	10	0		JHAEMM