smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000584596433	1298023823	/nfs/dbraw/zinc/02/38/23/1298023823.db2.gz	CZSHHPZURMFFAE-UHFFFAOYSA-N	-2	0	343.191	3.371	10	30		EGEERL
C=CCCCCCCCC[C@H](C(=O)[O-])[C@@]1(C(=O)[O-])CCC(=O)O1	ZINC000031159836	277827903	/nfs/dbraw/zinc/82/79/03/277827903.db2.gz	RWDDRQIEJMAIIY-CXAGYDPISA-N	-2	0	326.389	3.154	10	30		EGEERL
C=CCCCCCCCC[C@H](C(=O)[O-])[C@]1(C(=O)[O-])CCC(=O)O1	ZINC000031159845	518699275	/nfs/dbraw/zinc/69/92/75/518699275.db2.gz	RWDDRQIEJMAIIY-DYVFJYSZSA-N	-2	0	326.389	3.154	10	30		EGEERL
O=[N+]([O-])c1cc(C=NN=c2[nH]c3ccccc3s2)c([O-])cc1[O-]	ZINC000098035221	304798612	/nfs/dbraw/zinc/79/86/12/304798612.db2.gz	ZDQLTRMHGPJMSX-CHHVJCJISA-N	-2	0	330.325	3.062	10	30		EGEERL
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(C(=O)[O-])cc1Cl	ZINC000342196881	457163078	/nfs/dbraw/zinc/16/30/78/457163078.db2.gz	HNOFETFXRUKKRE-HYXAFXHYSA-N	-2	0	328.711	3.173	10	30		EGEERL
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C(=O)[O-]	ZINC000004097024	560194352	/nfs/dbraw/zinc/19/43/52/560194352.db2.gz	CZEMYYICWZPENF-VOLTXKGXSA-N	-2	0	348.439	3.076	10	30	in-vitro	EGEERL
O=C([O-])c1ccccc1SC/C(=N\[O-])c1cccc([N+](=O)[O-])c1	ZINC000004323945	304271532	/nfs/dbraw/zinc/27/15/32/304271532.db2.gz	NRFSGCLPVPUELW-DTQAZKPQSA-N	-2	0	332.337	3.264	10	30		EGEERL
Cc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cc3c2OCOC3)c([O-])c1	ZINC000033934053	1291390164	/nfs/dbraw/zinc/39/01/64/1291390164.db2.gz	OZOKEJHZINVWBM-HYXAFXHYSA-N	-2	0	340.331	3.161	10	30		EGEERL
C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C(=O)[O-]	ZINC000004102244	560196657	/nfs/dbraw/zinc/19/66/57/560196657.db2.gz	QQRSSHFHXYSOMF-CXXOJBQZSA-N	-2	0	346.423	3.140	10	30	in-vitro	EGEERL
C=C(C)c1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1	ZINC001158610065	1381318260	/nfs/dbraw/zinc/31/82/60/1381318260.db2.gz	NFEJFIZXZJAHPO-UHFFFAOYSA-N	-2	0	336.351	3.030	10	30		EGEERL
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(C(=O)[O-])cc1Cl	ZINC000342196871	457162371	/nfs/dbraw/zinc/16/23/71/457162371.db2.gz	HNOFETFXRUKKRE-HWKANZROSA-N	-2	0	328.711	3.173	10	30		EGEERL
C=CCCCCCCCC[C@@H](C(=O)[O-])[C@@]1(C(=O)[O-])CCC(=O)O1	ZINC000031159840	518699730	/nfs/dbraw/zinc/69/97/30/518699730.db2.gz	RWDDRQIEJMAIIY-SUMWQHHRSA-N	-2	0	326.389	3.154	10	30		EGEERL
C=C(OC(=O)c1ccccc1C(C)=N[O-])c1ccccc1C(=O)[O-]	ZINC000252603213	455823468	/nfs/dbraw/zinc/82/34/68/455823468.db2.gz	FOSPFEZMVKPOGC-UHFFFAOYSA-N	-2	0	325.320	3.411	10	30		EGEERL
O=C([O-])c1ccccc1SC/C(=N\[O-])c1ccc([N+](=O)[O-])cc1	ZINC000004693489	210249393	/nfs/dbraw/zinc/24/93/93/210249393.db2.gz	AGTBVLFTNFMDTG-DTQAZKPQSA-N	-2	0	332.337	3.264	10	30		EGEERL
C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000443420875	457764314	/nfs/dbraw/zinc/76/43/14/457764314.db2.gz	AEQJLCZZPYBCJR-UHFFFAOYSA-N	-2	0	335.381	3.206	10	30		EGEERL
N#Cc1ccc([O-])c(NC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])c1	ZINC001295828250	1382839427	/nfs/dbraw/zinc/83/94/27/1382839427.db2.gz	NSZKOPVRMGCBJC-UHFFFAOYSA-N	-2	0	348.314	3.294	10	30		EGEERL
C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1O	ZINC000443418072	457761871	/nfs/dbraw/zinc/76/18/71/457761871.db2.gz	MQUOOCWWNILZMJ-UHFFFAOYSA-N	-2	0	333.409	3.320	10	30		EGEERL
C=CCCCCCCCC[C@@H](C(=O)[O-])[C@]1(C(=O)[O-])CCC(=O)O1	ZINC000031159849	212725155	/nfs/dbraw/zinc/72/51/55/212725155.db2.gz	RWDDRQIEJMAIIY-GUYCJALGSA-N	-2	0	326.389	3.154	10	30		EGEERL