smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CCN1CCc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc21	ZINC000065565272	205359590	/nfs/dbraw/zinc/35/95/90/205359590.db2.gz	SXXZQOOVTAHZFA-UHFFFAOYSA-N	-2	1	357.391	2.072	50	30		FEEAML
O=S(=O)([O-])c1ccc(N=NC(N=Nc2nn[n-]n2)c2ccccc2)cc1	ZINC000008934380	204349061	/nfs/dbraw/zinc/34/90/61/204349061.db2.gz	MUDIQZWOZHISQS-HPHQGHHHSA-N	-2	1	372.370	2.004	50	30		FEEAML
N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCCO3)cc1	ZINC000012557038	207393763	/nfs/dbraw/zinc/39/37/63/207393763.db2.gz	YSCXTFRQLKTMCN-UHFFFAOYSA-N	-2	1	374.374	2.219	50	30		FEEAML
Nc1c(-c2nc3ccccc3s2)c([O-])cn1N=Cc1ccc(O)c(O)c1	ZINC000254567377	549701413	/nfs/dbraw/zinc/70/14/13/549701413.db2.gz	SYEMDUWXNBPJGW-UHFFFAOYSA-N	-2	1	366.402	2.254	50	30		FEEAML
NC(=S)NN=Cc1cc(Br)c([O-])c(Br)c1[O-]	ZINC000001806156	539343399	/nfs/dbraw/zinc/34/33/99/539343399.db2.gz	UTJSDBUUDHPLQY-UHFFFAOYSA-N	-2	1	369.038	2.411	50	30		FEEAML
[O-]c1c(Br)cc(/C=N/n2cnnc2)c([O-])c1Br	ZINC000001210634	210335823	/nfs/dbraw/zinc/33/58/23/210335823.db2.gz	QOUCGTARHYIVJI-JLZUIIAYSA-N	-2	1	361.981	2.097	50	30		FEEAML
C=CCc1cc(C=C2SC(=S)[N-]C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000002982704	539357733	/nfs/dbraw/zinc/35/77/33/539357733.db2.gz	QACBSGCOPPKDLV-KPKJPENVSA-N	-2	1	365.432	2.376	50	30		FEEAML
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c1	ZINC000048311514	221007115	/nfs/dbraw/zinc/00/71/15/221007115.db2.gz	IZXRAJJFWZXBMA-UHFFFAOYSA-N	-2	1	374.418	2.410	50	30		FEEAML
CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000002310195	204033110	/nfs/dbraw/zinc/03/31/10/204033110.db2.gz	HNUHHHYMRCGHNT-UHFFFAOYSA-N	-2	1	372.399	2.292	50	30		FEEAML
C=CCN1C(=O)C(=Cc2cn(CC(=O)[O-])c3ccccc23)C(=O)[N-]C1=S	ZINC000033294610	539973811	/nfs/dbraw/zinc/97/38/11/539973811.db2.gz	YIAZGAWIKPYTSV-JYRVWZFOSA-N	-2	1	369.402	2.379	50	30		FEEAML
O=S(=O)([O-])c1ccc(N=NC(N=Nc2nn[n-]n2)c2ccccc2)cc1	ZINC000252679459	527261328	/nfs/dbraw/zinc/26/13/28/527261328.db2.gz	MUDIQZWOZHISQS-UHFFFAOYSA-N	-2	1	372.370	2.004	50	30		FEEAML
COc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C(=O)[O-])cc1OC	ZINC000012548384	539564664	/nfs/dbraw/zinc/56/46/64/539564664.db2.gz	FYBZTBBPOHGGIH-UHFFFAOYSA-N	-2	1	362.363	2.074	50	30		FEEAML
O=C1[N-]C(=O)C(=N[N-]c2ccc(-c3ccccc3)cc2[N+](=O)[O-])C(=O)N1	ZINC000004159876	539378614	/nfs/dbraw/zinc/37/86/14/539378614.db2.gz	YFRQRXGFCDJMNW-UHFFFAOYSA-N	-2	1	353.294	2.236	50	30		FEEAML
O=c1[n-]c(=S)[nH]c([O-])c1N=Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]	ZINC000004750913	539392367	/nfs/dbraw/zinc/39/23/67/539392367.db2.gz	SNUSEFBDJKUCGR-UHFFFAOYSA-N	-2	1	369.362	2.401	50	30		FEEAML