smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](Oc1ccc(/C=N/c2cccc(C(=O)[O-])c2)cc1)C(=O)[O-]	ZINC000059247742	257217252	/nfs/dbraw/zinc/21/72/52/257217252.db2.gz	QCEHAWVBEXRPJB-HPAYWCODSA-N	-2	0	313.309	2.987	40	30		DFEBRL
CCCCCCCCCC(=O)N(CCC(=O)[O-])CCC(=O)[O-]	ZINC000100934593	426483569	/nfs/dbraw/zinc/48/35/69/426483569.db2.gz	HJBGBQFEKIJOJE-UHFFFAOYSA-N	-2	0	315.410	2.905	40	30		DFEBRL
C[C@@H](Oc1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000039557414	257217453	/nfs/dbraw/zinc/21/74/53/257217453.db2.gz	KWYYPLTVUJXZAW-VDCVXVNISA-N	-2	0	313.309	2.987	40	30		DFEBRL
O=[N+]([O-])c1ccc([O-])c(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000408904437	257225869	/nfs/dbraw/zinc/22/58/69/257225869.db2.gz	JLCDMDRLPUFLGN-VGOFMYFVSA-N	-2	0	303.230	2.665	40	30		DFEBRL
C[C@@H](Oc1ccc(/C=N/c2cccc(C(=O)[O-])c2)cc1)C(=O)[O-]	ZINC000059247744	257217201	/nfs/dbraw/zinc/21/72/01/257217201.db2.gz	QCEHAWVBEXRPJB-VDCVXVNISA-N	-2	0	313.309	2.987	40	30		DFEBRL
C[C@H](Oc1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000039557413	257217554	/nfs/dbraw/zinc/21/75/54/257217554.db2.gz	KWYYPLTVUJXZAW-HPAYWCODSA-N	-2	0	313.309	2.987	40	30		DFEBRL
COc1cccc(C=N[O-])c1OCc1ccc(C(=O)[O-])cc1	ZINC000254835818	332266113	/nfs/dbraw/zinc/26/61/13/332266113.db2.gz	ASSDOGWYUZXXPJ-UHFFFAOYSA-N	-2	0	301.298	2.781	40	30		DFEBRL
CCCCCCCCCCCC(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000100044444	426480319	/nfs/dbraw/zinc/48/03/19/426480319.db2.gz	PCNAKWUTWPAVMZ-UHFFFAOYSA-N	-2	0	315.410	2.905	40	30		DFEBRL
COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(C(=O)[O-])c2)c1[O-]	ZINC000002756228	425601847	/nfs/dbraw/zinc/60/18/47/425601847.db2.gz	XYLLIEVKXRANEK-LZYBPNLTSA-N	-2	0	316.269	2.758	40	30		DFEBRL