smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=S)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cscn2)c1	ZINC000160885586	202224767	/nfs/dbraw/zinc/22/47/67/202224767.db2.gz	VXSSEOSMPQZWDU-UHFFFAOYSA-N	-1	3	347.874	1.909	10	70		EDIEHM
Cc1cc(N)cc(S(=O)(=O)[N-]CCOCC(F)(F)F)c1F	ZINC000159526127	533887251	/nfs/dbraw/zinc/88/72/51/533887251.db2.gz	SLJKFYOVIPAXLM-UHFFFAOYSA-N	-1	3	330.303	1.574	10	70		EDIEHM
CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ccccc1F)CC2	ZINC000159377146	528338810	/nfs/dbraw/zinc/33/88/10/528338810.db2.gz	JBOZWRFWPWJZED-LLVKDONJSA-N	-1	3	338.408	1.834	10	70		EDIEHM
CC(C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O	ZINC000160042390	528971226	/nfs/dbraw/zinc/97/12/26/528971226.db2.gz	WCNQCNXRZYCWJJ-VIFPVBQESA-N	-1	3	334.825	1.527	10	70		EDIEHM
CN(C)C[C@H]1CN(C(=O)c2ccc(Br)c([O-])c2)CCO1	ZINC000160448177	441882864	/nfs/dbraw/zinc/88/28/64/441882864.db2.gz	ALNWPWDILMLIQE-NSHDSACASA-N	-1	3	343.221	1.557	10	70		EDIEHM
CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cccs1)CC2	ZINC000159391313	528335513	/nfs/dbraw/zinc/33/55/13/528335513.db2.gz	LGSQERNWQSJLME-JTQLQIEISA-N	-1	3	326.447	1.756	10	70		EDIEHM
CC(C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O	ZINC000160042239	528421518	/nfs/dbraw/zinc/42/15/18/528421518.db2.gz	WCNQCNXRZYCWJJ-SECBINFHSA-N	-1	3	334.825	1.527	10	70		EDIEHM
CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cccs1)CC2	ZINC000159391168	528337785	/nfs/dbraw/zinc/33/77/85/528337785.db2.gz	LGSQERNWQSJLME-SNVBAGLBSA-N	-1	3	326.447	1.756	10	70		EDIEHM
CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccccc1F)CC2	ZINC000159377276	441807744	/nfs/dbraw/zinc/80/77/44/441807744.db2.gz	JBOZWRFWPWJZED-NSHDSACASA-N	-1	3	338.408	1.834	10	70		EDIEHM
CO[C@@]1(C[N-]S(=O)(=O)c2cc(N)c(F)cc2Cl)CCOC1	ZINC000159911646	533034339	/nfs/dbraw/zinc/03/43/39/533034339.db2.gz	GOJQIBRWGILDEU-GFCCVEGCSA-N	-1	3	338.788	1.145	10	70		EDIEHM
CC(C)COc1ccc([C@@H](C)NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1	ZINC000159507267	528162199	/nfs/dbraw/zinc/16/21/99/528162199.db2.gz	BKEOGNQGYGJDNL-SNVBAGLBSA-N	-1	3	346.387	1.171	10	70		EDIEHM
Cc1cc(C)c(NC(=O)c2cc(=O)[n-]c(=O)[nH]2)c(Br)c1	ZINC000159997126	225316631	/nfs/dbraw/zinc/31/66/31/225316631.db2.gz	JZRQJPMKQICUBK-UHFFFAOYSA-N	-1	3	338.161	1.695	10	70		EDIEHM
Cc1cc(C)c(NC(=O)c2c[nH]c(=O)[n-]c2=O)c(Br)c1	ZINC000160018789	225320812	/nfs/dbraw/zinc/32/08/12/225320812.db2.gz	VPDVEWMTYWMFFR-UHFFFAOYSA-N	-1	3	338.161	1.695	10	70		EDIEHM
NC(=S)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCOC2)c1	ZINC000160883159	534530464	/nfs/dbraw/zinc/53/04/64/534530464.db2.gz	UHAJTLAEKGJNCF-SECBINFHSA-N	-1	3	334.850	1.432	10	70		EDIEHM
CC(C)(C)NC(=O)C[N-]S(=O)(=O)c1cc(N)c(F)cc1Cl	ZINC000159841951	526312956	/nfs/dbraw/zinc/31/29/56/526312956.db2.gz	HDVXSZMBNAHAEC-UHFFFAOYSA-N	-1	3	337.804	1.254	10	70		EDIEHM
NC(=S)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1	ZINC000160843249	534529683	/nfs/dbraw/zinc/52/96/83/534529683.db2.gz	XWWPVPJUKJJYTN-SECBINFHSA-N	-1	3	334.850	1.432	10	70		EDIEHM
Nc1cc(S(=O)(=O)[N-]CC2(CO)CCCC2)c(Cl)cc1F	ZINC000160034253	225325023	/nfs/dbraw/zinc/32/50/23/225325023.db2.gz	IRVSIUPMNMRPCZ-UHFFFAOYSA-N	-1	3	336.816	1.892	10	70		EDIEHM
CCCn1c2nc(-c3ccc(Br)o3)[n-]c2c(=O)[nH]c1=O	ZINC000159764349	528824400	/nfs/dbraw/zinc/82/44/00/528824400.db2.gz	PMWVNZHJVFSLDO-UHFFFAOYSA-N	-1	3	339.149	1.845	10	70		EDIEHM
CCCn1c2nc(-c3ccc(Br)o3)nc-2c([O-])[nH]c1=O	ZINC000159764349	528824406	/nfs/dbraw/zinc/82/44/06/528824406.db2.gz	PMWVNZHJVFSLDO-UHFFFAOYSA-N	-1	3	339.149	1.845	10	70		EDIEHM
CCCn1c2[n-]c(-c3ccc(Br)o3)nc2c(=O)[nH]c1=O	ZINC000159764349	528824409	/nfs/dbraw/zinc/82/44/09/528824409.db2.gz	PMWVNZHJVFSLDO-UHFFFAOYSA-N	-1	3	339.149	1.845	10	70		EDIEHM