smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccccc1[C@@H](c1c(C)[n-][nH]c1=O)c1c(C)[n-]n(C)c1=O	ZINC000409004712	513097818	/nfs/dbraw/zinc/09/78/18/513097818.db2.gz	QCHMWGHDBHOVHM-KRWDZBQOSA-N	-2	3	354.410	2.916	40	30		FFEBHL
C#CCn1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)c2ccccc21	ZINC000004450971	506376804	/nfs/dbraw/zinc/37/68/04/506376804.db2.gz	RWNAFTFRTHSRJM-UHFFFAOYSA-N	-2	3	361.405	2.929	40	30		FFEBHL
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1ccc(Cl)c([O-])c1	ZINC000408740523	513092351	/nfs/dbraw/zinc/09/23/51/513092351.db2.gz	LHJYJZJFANPFBL-BFNDQCEFSA-N	-2	3	373.821	2.812	40	30		FFEBHL
C=CCO[C@@H]1C=CC=C[C@H]1[C@@H](c1c(C)[n-][nH]c1=O)c1c(C)[n-]n(C)c1=O	ZINC000408920902	513095615	/nfs/dbraw/zinc/09/56/15/513095615.db2.gz	LOPNJSJKWJYGLS-CPUCHLNUSA-N	-2	3	356.426	2.617	40	30		FFEBHL
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1ccc(Cl)c([O-])c1	ZINC000408740525	513092931	/nfs/dbraw/zinc/09/29/31/513092931.db2.gz	LHJYJZJFANPFBL-DKSCHZSNSA-N	-2	3	373.821	2.812	40	30		FFEBHL
O=C([O-])c1cc(Cl)ccc1-c1ccc(/C=N/N=C2\[N-]C(=O)CS2)o1	ZINC000059596695	263421901	/nfs/dbraw/zinc/42/19/01/263421901.db2.gz	MVRSDLDDUMGEEI-UBKPWBPPSA-N	-2	3	363.782	2.851	40	30		FFEBHL
COc1cc(C)cc(C(=O)[O-])c1C1=C([O-])c2cccc([O-])c2C(=O)C1=O	ZINC000013369998	506941858	/nfs/dbraw/zinc/94/18/58/506941858.db2.gz	PBKZJIMGHNPKBJ-UHFFFAOYSA-N	-3	3	354.314	2.756	40	30	biogenic,in-vitro	FFEBHL
C=CCOc1ccc([C@H](c2c(C)[n-][nH]c2=O)c2c(C)[n-]n(C)c2=O)cc1	ZINC000409003120	513097264	/nfs/dbraw/zinc/09/72/64/513097264.db2.gz	DOWQZNOVJOFQPN-QGZVFWFLSA-N	-2	3	354.410	2.916	40	30		FFEBHL
O=C1N/C(=N\c2cccc([O-])c2)S/C1=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000012032385	506810395	/nfs/dbraw/zinc/81/03/95/506810395.db2.gz	CCOIXIFSGJDXBZ-VGOFMYFVSA-N	-2	3	357.347	2.898	40	30		FFEBHL
C=CCO[C@@H]1C=CC=C[C@@H]1[C@H](c1c(C)[n-][nH]c1=O)c1c(C)[n-]n(C)c1=O	ZINC000408920903	513095994	/nfs/dbraw/zinc/09/59/94/513095994.db2.gz	LOPNJSJKWJYGLS-JJRVBVJISA-N	-2	3	356.426	2.617	40	30		FFEBHL
CCc1n[n-]c(=S)n1N=Cc1cc(Br)cc(OC)c1[O-]	ZINC000041214280	506497021	/nfs/dbraw/zinc/49/70/21/506497021.db2.gz	PFVBRDMZMLUXIY-MKMNVTDBSA-N	-2	3	357.233	2.862	40	30		FFEBHL
O=S(=O)([N-]c1ncccn1)c1ccc(/N=C\c2ccccc2[O-])cc1	ZINC000104329879	222356462	/nfs/dbraw/zinc/35/64/62/222356462.db2.gz	XKOXWIOXLHFGSO-NDENLUEZSA-N	-2	3	354.391	2.734	40	30		FFEBHL
C=CCO[C@@H]1C=CC=C[C@H]1[C@H](c1c(C)[n-][nH]c1=O)c1c(C)[n-]n(C)c1=O	ZINC000408920901	513095927	/nfs/dbraw/zinc/09/59/27/513095927.db2.gz	LOPNJSJKWJYGLS-CKEIUWERSA-N	-2	3	356.426	2.617	40	30		FFEBHL
N=C(NN=Cc1cc(Cl)ccc1[O-])NN=Cc1cc(Cl)ccc1[O-]	ZINC000104392485	206000609	/nfs/dbraw/zinc/00/06/09/206000609.db2.gz	IGWAWNDBEPRQQY-NORIJPHCSA-N	-2	3	366.208	2.887	40	30		FFEBHL
N=C(NN=Cc1cc(Cl)ccc1[O-])NN=Cc1cc(Cl)ccc1[O-]	ZINC000104392481	206001212	/nfs/dbraw/zinc/00/12/12/206001212.db2.gz	IGWAWNDBEPRQQY-DWVBSFERSA-N	-2	3	366.208	2.887	40	30		FFEBHL
C=CCO[C@@H]1C=CC=C[C@@H]1[C@@H](c1c(C)[n-][nH]c1=O)c1c(C)[n-]n(C)c1=O	ZINC000408920904	513095741	/nfs/dbraw/zinc/09/57/41/513095741.db2.gz	LOPNJSJKWJYGLS-VBQJREDUSA-N	-2	3	356.426	2.617	40	30		FFEBHL
C=CCOc1ccc([C@@H](c2c(C)[n-][nH]c2=O)c2c(C)[n-]n(C)c2=O)cc1	ZINC000409003119	513097630	/nfs/dbraw/zinc/09/76/30/513097630.db2.gz	DOWQZNOVJOFQPN-KRWDZBQOSA-N	-2	3	354.410	2.916	40	30		FFEBHL
CC(C)CCC(=O)OC1=C([O-])C([O-])=C(OC(=O)CCC(C)C)C(=O)C1=O	ZINC000100235398	222239733	/nfs/dbraw/zinc/23/97/33/222239733.db2.gz	LEIOANWTOIEFFT-UHFFFAOYSA-N	-2	3	368.382	2.636	40	30		FFEBHL
C=CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2[O-])C(=O)[N-]C1=S	ZINC000223289900	509335011	/nfs/dbraw/zinc/33/50/11/509335011.db2.gz	QHLAVRAFKGVZDZ-WEVVVXLNSA-N	-2	3	357.218	2.512	40	30		FFEBHL
C=CCOc1ccccc1[C@H](c1c(C)[n-][nH]c1=O)c1c(C)[n-]n(C)c1=O	ZINC000409004714	513097443	/nfs/dbraw/zinc/09/74/43/513097443.db2.gz	QCHMWGHDBHOVHM-QGZVFWFLSA-N	-2	3	354.410	2.916	40	30		FFEBHL