smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C#Cc1cccc(C(=O)[O-])c1	98193398	537945816	/nfs/dbraw/zinc/94/58/16/537945816.db2.gz	VFYNYEJZJHKGLT-UHFFFAOYSA-N	-2	0	190.154	0.821	20	30		ACEDRL
C=CCONC(=O)CCC(=O)[O-]	387269447	951314597	/nfs/dbraw/zinc/31/45/97/951314597.db2.gz	DCXZTYZEYLQOEE-UHFFFAOYSA-N	-2	0	173.168	0.085	20	30		ACEDRL
C=CCONC(=O)CCCC(=O)[O-]	387301464	951314726	/nfs/dbraw/zinc/31/47/26/951314726.db2.gz	JXBLPSUGCYMKFP-UHFFFAOYSA-N	-2	0	187.195	0.475	20	30		ACEDRL
C=C(C)CO[N-]C(=O)[C@@H](C)C(=O)[O-]	1588439913	958324757	/nfs/dbraw/zinc/32/47/57/958324757.db2.gz	IPTBQHDYCOJYAE-ZCFIWIBFSA-N	-2	0	187.195	0.331	20	30		ACEDRL
C=C(C)CO[N-]C(=O)[C@H](C)C(=O)[O-]	1588439911	958323768	/nfs/dbraw/zinc/32/37/68/958323768.db2.gz	IPTBQHDYCOJYAE-LURJTMIESA-N	-2	0	187.195	0.331	20	30		ACEDRL
C=C(C)CO[N-]C(=O)C1(C(=O)[O-])CC1	1588440272	958329327	/nfs/dbraw/zinc/32/93/27/958329327.db2.gz	SLLKKOAJJFDGKY-UHFFFAOYSA-N	-2	0	199.206	0.475	20	30		ACEDRL
C=C[C@@H](C)O[N-]C(=O)C1(C(=O)[O-])CC1	1588450956	958403035	/nfs/dbraw/zinc/40/30/35/958403035.db2.gz	IPOCDVLGOXROJD-ZCFIWIBFSA-N	-2	0	199.206	0.474	20	30		ACEDRL
C=C[C@H](C)O[N-]C(=O)C1(C(=O)[O-])CC1	1588450955	958403572	/nfs/dbraw/zinc/40/35/72/958403572.db2.gz	IPOCDVLGOXROJD-LURJTMIESA-N	-2	0	199.206	0.474	20	30		ACEDRL
C=CCO[N-]C(=O)C1(C(=O)[O-])CCC1	1588466463	958513070	/nfs/dbraw/zinc/51/30/70/958513070.db2.gz	SAECLCJDWSMDPN-UHFFFAOYSA-N	-2	0	199.206	0.475	20	30		ACEDRL
C#CCO[N-]C(=O)[C@@H](C(=O)[O-])C(C)C	1602701900	971327571	/nfs/dbraw/zinc/32/75/71/971327571.db2.gz	BYWNLDBUKUTERE-ZETCQYMHSA-N	-2	0	199.206	0.024	20	30		ACEDRL
C#CCO[N-]C(=O)[C@H](C(=O)[O-])C(C)C	1602701899	971327836	/nfs/dbraw/zinc/32/78/36/971327836.db2.gz	BYWNLDBUKUTERE-SSDOTTSWSA-N	-2	0	199.206	0.024	20	30		ACEDRL
C=C[C@H](C)O[N-]C(=O)[C@@H](C)C(=O)[O-]	1602717740	971371221	/nfs/dbraw/zinc/37/12/21/971371221.db2.gz	ZQMSDWPHVBVMOS-NTSWFWBYSA-N	-2	0	187.195	0.329	20	30		ACEDRL
C=C[C@H](C)O[N-]C(=O)[C@H](C)C(=O)[O-]	1602717743	971371301	/nfs/dbraw/zinc/37/13/01/971371301.db2.gz	ZQMSDWPHVBVMOS-WDSKDSINSA-N	-2	0	187.195	0.329	20	30		ACEDRL
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)C(=O)[O-]	1602717741	971371371	/nfs/dbraw/zinc/37/13/71/971371371.db2.gz	ZQMSDWPHVBVMOS-PHDIDXHHSA-N	-2	0	187.195	0.329	20	30		ACEDRL
C=C[C@@H](C)O[N-]C(=O)[C@H](C)C(=O)[O-]	1602717742	971371553	/nfs/dbraw/zinc/37/15/53/971371553.db2.gz	ZQMSDWPHVBVMOS-RITPCOANSA-N	-2	0	187.195	0.329	20	30		ACEDRL
C=CCO[N-]C(=O)[C@@H](C(=O)[O-])C1CC1	1602728737	971396064	/nfs/dbraw/zinc/39/60/64/971396064.db2.gz	AAIDHUAIIDDIJZ-ZETCQYMHSA-N	-2	0	199.206	0.331	20	30		ACEDRL
C=CCO[N-]C(=O)[C@H](C(=O)[O-])C1CC1	1602728736	971396294	/nfs/dbraw/zinc/39/62/94/971396294.db2.gz	AAIDHUAIIDDIJZ-SSDOTTSWSA-N	-2	0	199.206	0.331	20	30		ACEDRL
C=CCO[N-]C(=O)C(C)(C)C(=O)[O-]	1602729023	971399426	/nfs/dbraw/zinc/39/94/26/971399426.db2.gz	YSGHXZNRZRRYFN-UHFFFAOYSA-N	-2	0	187.195	0.331	20	30		ACEDRL
C=CCCO[N-]C(=O)C1(C(=O)[O-])CC1	1588813631	984270388	/nfs/dbraw/zinc/27/03/88/984270388.db2.gz	XNDGGTRCKVXGGY-UHFFFAOYSA-N	-2	0	199.206	0.475	20	30		ACEDRL
C=CCO[N-]C(=O)C1(C(=O)[O-])CC1	1588868735	984434649	/nfs/dbraw/zinc/43/46/49/984434649.db2.gz	UTHBJTZTKTWYFZ-UHFFFAOYSA-N	-2	0	185.179	0.085	20	30		ACEDRL
C=C1C[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	22012140	166148118	/nfs/dbraw/zinc/14/81/18/166148118.db2.gz	WRJRZNHDCDDIFH-OLQVQODUSA-N	-2	0	170.164	0.738	20	30		ACEDRL
C=C1C[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	22012144	166148489	/nfs/dbraw/zinc/14/84/89/166148489.db2.gz	WRJRZNHDCDDIFH-WDSKDSINSA-N	-2	0	170.164	0.738	20	30		ACEDRL
C=C1C[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	22012149	166149104	/nfs/dbraw/zinc/14/91/04/166149104.db2.gz	WRJRZNHDCDDIFH-PHDIDXHHSA-N	-2	0	170.164	0.738	20	30		ACEDRL
O=C([O-])c1cnc(/C=N/[O-])s1	253388102	526402347	/nfs/dbraw/zinc/40/23/47/526402347.db2.gz	HSFADGKEDQBIDN-FARCUNLSSA-N	-2	0	172.165	0.649	20	30		ACEDRL