smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1nsc(OC)c1C(=O)[N-]c1cc([N+](=O)[O-])ccc1[O-]	ZINC001610894989	1352291427	/nfs/dbraw/zinc/29/14/27/1352291427.db2.gz	FAACCDDLVBVTPY-UHFFFAOYSA-N	-2	1	325.302	2.026	10	5		EEBEML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(O)cc(F)c1	ZINC000348882435	465856923	/nfs/dbraw/zinc/85/69/23/465856923.db2.gz	KPBKUYIOINYIHJ-UHFFFAOYSA-N	-2	1	342.304	2.254	10	5		EEBEML
CCOC(=O)c1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c([O-])c1	ZINC000343810873	161170356	/nfs/dbraw/zinc/17/03/56/161170356.db2.gz	RFUIVDAIEXLOQW-UHFFFAOYSA-N	-2	1	346.295	2.435	10	5		EEBEML
CCOC(=O)c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c([O-])c1	ZINC000354471056	466591223	/nfs/dbraw/zinc/59/12/23/466591223.db2.gz	BSFVTARJQMYCTE-UHFFFAOYSA-N	-2	1	346.295	2.435	10	5		EEBEML
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000432197573	467223315	/nfs/dbraw/zinc/22/33/15/467223315.db2.gz	ZUTBEZREUAPPDQ-UHFFFAOYSA-N	-2	1	336.325	2.402	10	5		EEBEML
O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CC1CCCC1	ZINC000548527151	318394710	/nfs/dbraw/zinc/39/47/10/318394710.db2.gz	USJDKLSGQNLMSR-UHFFFAOYSA-N	-2	1	328.346	2.225	10	5		EEBEML
CC(C)(C)CCS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000319372756	466596003	/nfs/dbraw/zinc/59/60/03/466596003.db2.gz	YIABPIPQLLJGJJ-UHFFFAOYSA-N	-2	1	330.362	2.471	10	5		EEBEML
CC(C)C1(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1	ZINC000600652535	468611877	/nfs/dbraw/zinc/61/18/77/468611877.db2.gz	VXJXUNQFUZJNOX-UHFFFAOYSA-N	-2	1	328.346	2.223	10	5		EEBEML
O=C(NCCc1c(F)cc([O-])cc1F)c1ccc([N+](=O)[O-])c([O-])c1	ZINC001178780942	799637451	/nfs/dbraw/zinc/63/74/51/799637451.db2.gz	PEOPAVWIVKHHRL-UHFFFAOYSA-N	-2	1	338.266	2.257	10	5		EEBEML
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1	ZINC000448074719	536957298	/nfs/dbraw/zinc/95/72/98/536957298.db2.gz	OUVPTGFGBDVMQX-UHFFFAOYSA-N	-2	1	342.304	2.249	10	5		EEBEML
O=C(NCCc1c(F)cc([O-])cc1F)c1cccc([N+](=O)[O-])c1[O-]	ZINC001456194854	1109110936	/nfs/dbraw/zinc/11/09/36/1109110936.db2.gz	KGJNVZGMYWKTHS-UHFFFAOYSA-N	-2	1	338.266	2.257	10	5		EEBEML
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1	ZINC000547938354	318335527	/nfs/dbraw/zinc/33/55/27/318335527.db2.gz	SRCADVFIEIMBGS-UHFFFAOYSA-N	-2	1	336.325	2.402	10	5		EEBEML
Cc1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])c1	ZINC000548550987	318395634	/nfs/dbraw/zinc/39/56/34/318395634.db2.gz	WVGXFFZNBPFDOR-UHFFFAOYSA-N	-2	1	336.325	2.402	10	5		EEBEML
O=C(NCCc1c(F)cc([O-])cc1F)c1cc([N+](=O)[O-])ccc1[O-]	ZINC001456197149	1109110972	/nfs/dbraw/zinc/11/09/72/1109110972.db2.gz	PPELHPPCUPNSBC-UHFFFAOYSA-N	-2	1	338.266	2.257	10	5		EEBEML
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(=O)c2ccccc2[n-]1	ZINC000356320342	465310038	/nfs/dbraw/zinc/31/00/38/465310038.db2.gz	KIUWNTPBUGYJLV-UHFFFAOYSA-N	-2	1	325.280	2.394	10	5		EEBEML
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1	ZINC000619467838	469617120	/nfs/dbraw/zinc/61/71/20/469617120.db2.gz	IPHRNIRROOOFEF-UHFFFAOYSA-N	-2	1	342.304	2.249	10	5		EEBEML
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432194230	314686345	/nfs/dbraw/zinc/68/63/45/314686345.db2.gz	GNQJBJQDGHQXDY-UHFFFAOYSA-N	-2	1	336.325	2.402	10	5		EEBEML
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000432190094	314685721	/nfs/dbraw/zinc/68/57/21/314685721.db2.gz	DRLVOKKCDJZAFU-UHFFFAOYSA-N	-2	1	340.288	2.233	10	5		EEBEML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000432189942	314685597	/nfs/dbraw/zinc/68/55/97/314685597.db2.gz	DHEGUSZYKSWETF-UHFFFAOYSA-N	-2	1	336.325	2.402	10	5		EEBEML
O=C([O-])c1c([N-]S(=O)(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-]	ZINC000548548194	318395613	/nfs/dbraw/zinc/39/56/13/318395613.db2.gz	IMTSKCWWONLNDD-UHFFFAOYSA-N	-2	1	340.288	2.233	10	5		EEBEML
COc1cnc([C@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])[n-]c1=O	ZINC001660521916	1354480485	/nfs/dbraw/zinc/48/04/85/1354480485.db2.gz	DQAFQVMHJDBZFN-CYBMUJFWSA-N	-2	1	346.343	2.142	10	5		EEBEML
COc1cnc([C@@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])[n-]c1=O	ZINC001660521917	1354480614	/nfs/dbraw/zinc/48/06/14/1354480614.db2.gz	DQAFQVMHJDBZFN-ZDUSSCGKSA-N	-2	1	346.343	2.142	10	5		EEBEML
O=C([N-]c1nnc(C(F)(F)F)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000346257241	466034573	/nfs/dbraw/zinc/03/45/73/466034573.db2.gz	TUKRERZQTHZGPW-UHFFFAOYSA-N	-2	1	334.235	2.423	10	5		EEBEML
CCC(CC)CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000547870095	318331194	/nfs/dbraw/zinc/33/11/94/318331194.db2.gz	YKDUKASSYUCLMW-UHFFFAOYSA-N	-2	1	330.362	2.471	10	5		EEBEML
Cc1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000322223778	466631335	/nfs/dbraw/zinc/63/13/35/466631335.db2.gz	XUMGXRIWUQCGAB-UHFFFAOYSA-N	-2	1	336.325	2.402	10	5		EEBEML