smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000005488220	204211257	/nfs/dbraw/zinc/21/12/57/204211257.db2.gz	RECNITXDQPJVBJ-MRXNPFEDSA-N	0	1	357.797	3.536	3	5		FHBFMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])c1ccccc1Cl	ZINC000005433600	204207900	/nfs/dbraw/zinc/20/79/00/204207900.db2.gz	RQTAEIMBOHAYAZ-HNNXBMFYSA-N	0	1	357.797	3.536	3	5		FHBFMN
O=c1cccc2oc3cc(OCCC[NH+]4CCCCC4)ccc3c([O-])c1-2	ZINC000040891540	205084058	/nfs/dbraw/zinc/08/40/58/205084058.db2.gz	GGINHSAPWWIGPJ-UHFFFAOYSA-N	0	1	353.418	3.907	1	5		FHBFMN
CN(C)c1ccc(NC(=O)c2cc(=O)c3ccc4ccccc4c3[nH]2)cc1	ZINC000040974753	205086162	/nfs/dbraw/zinc/08/61/62/205086162.db2.gz	DFJHFULENNHQTF-UHFFFAOYSA-N	0	1	357.413	4.000	1	5		FHBFMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](C[N+](=O)[O-])c1ccccc1Cl	ZINC000005433602	204207950	/nfs/dbraw/zinc/20/79/50/204207950.db2.gz	RQTAEIMBOHAYAZ-OAHLLOKOSA-N	0	1	357.797	3.536	3	5		FHBFMN
O=c1cc(OCCC[NH+]2CCCCC2)cc2oc3ccccc3c([O-])c1-2	ZINC000040893943	208275520	/nfs/dbraw/zinc/27/55/20/208275520.db2.gz	YWXVSQRCWIFWKP-UHFFFAOYSA-N	0	1	353.418	3.907	1	5		FHBFMN
O=C([O-])CCC[C@@H]1[C@H]2CCC[N@+]3([O-])CCC[C@@H](C[N@H+]1Cc1ccccc1)[C@@H]23	ZINC000299811139	717180612	/nfs/dbraw/zinc/18/06/12/717180612.db2.gz	GSSHMZUWXVVKBL-JPOOANNQSA-N	0	1	372.509	3.629	1	5		FHBFMN
O=C1NC(=O)c2c1ccc(Sc1c(Cl)cccc1Cl)c2[N+](=O)[O-]	ZINC000040762962	208268440	/nfs/dbraw/zinc/26/84/40/208268440.db2.gz	XVZVQNLKWWURAP-UHFFFAOYSA-N	0	1	369.185	3.936	1	5		FHBFMN
O=[N+]([O-])c1cccc(CN2CCC[C@H](Nc3ccc4n[nH]cc4c3)C2)c1	ZINC000028640101	581101649	/nfs/dbraw/zinc/10/16/49/581101649.db2.gz	ZGCMTTQGRJYCEP-KRWDZBQOSA-N	0	1	351.410	3.548	1	5		FHBFMN
COc1c(O)c(OC)c2oc3cccc(O)c3c(=O)c2c1CC=C(C)C	ZINC000014763098	560225824	/nfs/dbraw/zinc/22/58/24/560225824.db2.gz	AIBPYVNEBSHOCZ-UHFFFAOYSA-N	0	1	356.374	3.883	1	5	in-vitro	FHBFMN
CC(C)(CO)[C@@H]1C[C@H](NCc2ccccc2)c2cc([N+](=O)[O-])ccc2N1	ZINC000013919824	211062783	/nfs/dbraw/zinc/06/27/83/211062783.db2.gz	SPVCQOCFNHNQMG-OALUTQOASA-N	0	1	355.438	3.628	1	5		FHBFMN
O=[N+]([O-])c1cccc(CN2CCC[C@@H](Nc3ccc4n[nH]cc4c3)C2)c1	ZINC000028640099	581101676	/nfs/dbraw/zinc/10/16/76/581101676.db2.gz	ZGCMTTQGRJYCEP-QGZVFWFLSA-N	0	1	351.410	3.548	1	5		FHBFMN
O=C([O-])CCC[C@@H]1[C@H]2CCC[N+]3([O-])CCC[C@@H](C[N@H+]1Cc1ccccc1)[C@@H]23	ZINC000072113633	717133635	/nfs/dbraw/zinc/13/36/35/717133635.db2.gz	GSSHMZUWXVVKBL-RZQKWFAGSA-N	0	1	372.509	3.629	1	5		FHBFMN
C=C1N=C(C)C(C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCC	ZINC000019536858	220267797	/nfs/dbraw/zinc/26/77/97/220267797.db2.gz	QFNZZSSQTCYLRO-PQMNFKMDSA-N	0	1	374.393	3.796	1	5		FHBFMN
O=c1c2ccc([O-])cc2oc2cc(OCCC[NH+]3CCCCC3)ccc12	ZINC000071316689	221340997	/nfs/dbraw/zinc/34/09/97/221340997.db2.gz	NJDMBAAEWNYXNF-UHFFFAOYSA-N	0	1	353.418	3.907	1	5		FHBFMN
O=C([O-])CCC[C@@H]1[C@H]2CCC[N@@+]3([O-])CCC[C@@H](C[N@H+]1Cc1ccccc1)[C@@H]23	ZINC000299811140	717180575	/nfs/dbraw/zinc/18/05/75/717180575.db2.gz	GSSHMZUWXVVKBL-XTQSJJPXSA-N	0	1	372.509	3.629	1	5		FHBFMN
CC1(C)O[C@@H]1Cc1cc2c3oc4cc(O)ccc4c3c(=O)oc2cc1O	ZINC000014682345	291076030	/nfs/dbraw/zinc/07/60/30/291076030.db2.gz	DDNQJNCZXTTZFX-MRXNPFEDSA-N	0	1	352.342	3.824	1	5	biogenic,in-vitro	FHBFMN
Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1	ZINC000103181236	222323210	/nfs/dbraw/zinc/32/32/10/222323210.db2.gz	IAIYSMCYXPLYLP-UHFFFAOYSA-N	0	1	360.313	3.723	1	5		FHBFMN