smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1Br	ZINC000002742930	555807651	/nfs/dbraw/zinc/80/76/51/555807651.db2.gz	BOCKEIWBRVBKDM-FQEVSTJZSA-N	-1	3	436.309	5.308	10	10		IKCEHM
O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2[O-])/C(=C/c2ccc(O)cc2)S1	ZINC000040918856	563111931	/nfs/dbraw/zinc/11/19/31/563111931.db2.gz	NDQCNXAXHBYEQX-VLDJDNEVSA-N	-1	3	441.512	5.555	10	10		IKCEHM
O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2[O-])/C(=C/c2ccc(O)cc2)S1	ZINC000040918855	563111941	/nfs/dbraw/zinc/11/19/41/563111941.db2.gz	NDQCNXAXHBYEQX-KUOTXRDYSA-N	-1	3	441.512	5.555	10	10		IKCEHM
COc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1Br	ZINC000002742931	555807666	/nfs/dbraw/zinc/80/76/66/555807666.db2.gz	BOCKEIWBRVBKDM-HXUWFJFHSA-N	-1	3	436.309	5.308	10	10		IKCEHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccc3OCc3ccccc3)c([O-])c2n1	ZINC000015015619	556484745	/nfs/dbraw/zinc/48/47/45/556484745.db2.gz	XLPMMRWQEFTRGV-MUUNZHRXSA-N	-1	3	447.538	6.424	10	10		IKCEHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccc3OCc3ccccc3)c([O-])c2n1	ZINC000015015618	556484899	/nfs/dbraw/zinc/48/48/99/556484899.db2.gz	XLPMMRWQEFTRGV-NDEPHWFRSA-N	-1	3	447.538	6.424	10	10		IKCEHM
COc1cccc(C(=O)N[C@H](/C=C\c2ccccc2)c2cc(Cl)c3cccnc3c2[O-])c1	ZINC000033420109	563084490	/nfs/dbraw/zinc/08/44/90/563084490.db2.gz	MIDIVLDQHNVZLB-WHIOSMTNSA-N	-1	3	444.918	5.787	10	10		IKCEHM
O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2[O-])/C(=C/c2ccccc2)S1	ZINC000040403045	563100952	/nfs/dbraw/zinc/10/09/52/563100952.db2.gz	WYZMKHQPXLQFLD-FYYJVHHASA-N	-1	3	425.513	5.850	10	10		IKCEHM
[O-]c1cccc2c1Oc1cccc(c1)CCc1cc(O)c(O)c(c1)Oc1ccc(cc1)CC2	ZINC000004098631	291411781	/nfs/dbraw/zinc/41/17/81/291411781.db2.gz	LLMFFOXSSQHNFR-UHFFFAOYSA-N	-1	3	440.495	6.272	10	10	biogenic,in-vitro	IKCEHM
[O-]c1ccc(Cl)cc1CN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1	ZINC000055343873	556740362	/nfs/dbraw/zinc/74/03/62/556740362.db2.gz	DPOLELFOPSYSIV-UHFFFAOYSA-N	-1	3	438.936	5.423	10	10		IKCEHM
O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2[O-])/C(=C/c2ccccc2)S1	ZINC000040403042	563100976	/nfs/dbraw/zinc/10/09/76/563100976.db2.gz	WYZMKHQPXLQFLD-XUVWKZFSSA-N	-1	3	425.513	5.850	10	10		IKCEHM
CN(C)c1ccc(-c2nc3cc(NCc4cc(Br)ccc4[O-])ccc3o2)cc1	ZINC000003013783	569435427	/nfs/dbraw/zinc/43/54/27/569435427.db2.gz	FZXBRJISEITPAG-UHFFFAOYSA-N	-1	3	438.325	5.641	10	10		IKCEHM