smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1/C(=C/c2ccccc2)CN(P(=O)([O-])[O-])C/C1=C\c1ccccc1	ZINC000064512051	205298727	/nfs/dbraw/zinc/29/87/27/205298727.db2.gz	VNJUHXFFFUNPHM-JYFOCSDGSA-N	-2	0	355.330	3.131	1	30		FGEFRL
C=C[C@]1(C)O[C@@]2(C)CC[C@H](C(C)(C)C(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]2C[C@@H]1O	ZINC000095911469	291066780	/nfs/dbraw/zinc/06/67/80/291066780.db2.gz	XIFSGBXERHTHHK-XMUHMHRVSA-N	-2	0	368.470	3.089	1	30	biogenic,in-vitro	FGEFRL
COc1ccc(C(=O)/C=C/c2ccc(OC)c(OP(=O)([O-])[O-])c2)cc1	ZINC000045347613	208331419	/nfs/dbraw/zinc/33/14/19/208331419.db2.gz	FRSISINFNMXLDI-YCRREMRBSA-N	-2	0	364.290	3.071	1	30		FGEFRL
O=Cc1ccc(/C=N/c2c([O-])cc(S(=O)(=O)[O-])c3ccccc32)cc1	ZINC000103288952	222332510	/nfs/dbraw/zinc/33/25/10/222332510.db2.gz	LADBBNMHZHCSRS-VXLYETTFSA-N	-2	0	355.371	3.355	1	30		FGEFRL
O=C([O-])CCCCCC=CC(=O)C=CC=CC=C[C@H](O)CCCC(=O)[O-]	ZINC000085588829	571783764	/nfs/dbraw/zinc/78/37/64/571783764.db2.gz	VLMCDTMNMDDMLC-NZXMSVEXSA-N	-2	0	364.438	3.431	1	30	endogenous,in-man	FGEFRL
CCCCCCCC(=O)N[C@@H]1c2ccccc2C[C@@H]1OP(=O)([O-])[O-]	ZINC000043443308	205102956	/nfs/dbraw/zinc/10/29/56/205102956.db2.gz	KXPPMEVEDMIOAM-DOTOQJQBSA-N	-2	0	355.371	3.238	1	30		FGEFRL
C=C1[C@H]2C[C@@]3(CC[C@@H](C(C)(C)C(=O)[O-])[C@](C)(CC(=O)[O-])[C@H]3CC2)[C@H]1O	ZINC000014508978	571711734	/nfs/dbraw/zinc/71/17/34/571711734.db2.gz	DKUYNSVJKKPQRW-OVNPJXQSSA-N	-2	0	350.455	3.322	1	30	endogenous,in-man	FGEFRL
C=C1[C@H]2C[C@@]3(CC[C@H](C(C)(C)C(=O)[O-])[C@](C)(CC(=O)[O-])[C@H]3CC2)[C@H]1O	ZINC000014508980	571711727	/nfs/dbraw/zinc/71/17/27/571711727.db2.gz	DKUYNSVJKKPQRW-UMJWFTAKSA-N	-2	0	350.455	3.322	1	30	endogenous,in-man	FGEFRL
C=CCc1c2nc(C(=O)[O-])cc(Cl)c2cc2c(=O)cc(C(=O)[O-])oc21	ZINC000029547894	210164840	/nfs/dbraw/zinc/16/48/40/210164840.db2.gz	YVHGWCZEYWWMAD-UHFFFAOYSA-N	-2	0	359.721	3.120	1	30		FGEFRL
C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C(=O)[O-])CCC[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C(=O)[O-]	ZINC000006067304	560204861	/nfs/dbraw/zinc/20/48/61/560204861.db2.gz	XOUJCIPAKFLTCI-POPXMCHDSA-N	-3	0	362.422	3.025	1	30	in-vitro	FGEFRL
O=C([O-])c1ccc2c(c1)[N-]/C(=C1\C(=O)Nc3c1cccc3C(F)(F)F)C2=O	ZINC000101658888	222280129	/nfs/dbraw/zinc/28/01/29/222280129.db2.gz	TWSHBECDMINHSW-OWBHPGMISA-N	-2	0	374.274	3.375	1	30		FGEFRL