smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000409068202	570117290	/nfs/dbraw/zinc/11/72/90/570117290.db2.gz	HSLUFNVNQJYNDM-MHWRWJLKSA-N	-1	2	484.892	3.515	40	30		JHEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000409068886	570117482	/nfs/dbraw/zinc/11/74/82/570117482.db2.gz	UIVXSQRMYLIUJM-VCHYOVAHSA-N	-1	2	498.919	3.905	40	30		JHEBLM
O=[N+]([O-])c1ccc([O-])c(C=NNc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)c3ccccc32)c1	ZINC000017418296	556260819	/nfs/dbraw/zinc/26/08/19/556260819.db2.gz	HUPSBNQMFPIADK-ASIDMNOUSA-N	-1	2	488.420	3.749	40	30		JHEBLM
C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000408994071	570095032	/nfs/dbraw/zinc/09/50/32/570095032.db2.gz	YIDFSBQDYGIOGP-MFOYZWKCSA-N	-1	2	484.892	3.515	40	30		JHEBLM
C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059135590	195390364	/nfs/dbraw/zinc/39/03/64/195390364.db2.gz	DXWUTZVTDRIGKP-LICLKQGHSA-N	-1	2	454.410	3.533	40	30		JHEBLM
O=[N+]([O-])c1ccc(O)c(C=NNc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)c3ccccc32)c1	ZINC000104079300	569840530	/nfs/dbraw/zinc/84/05/30/569840530.db2.gz	HUPSBNQMFPIADK-QEUMEHMPSA-N	-1	2	488.420	3.749	40	30		JHEBLM
O=[N+]([O-])c1ccc([O-])c(C=NNc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)c3ccccc32)c1	ZINC000104079300	569840531	/nfs/dbraw/zinc/84/05/31/569840531.db2.gz	HUPSBNQMFPIADK-QEUMEHMPSA-N	-1	2	488.420	3.749	40	30		JHEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000408771213	570038851	/nfs/dbraw/zinc/03/88/51/570038851.db2.gz	DQMGZQHWXPNYFP-WOJGMQOQSA-N	-1	2	484.892	3.597	40	30		JHEBLM
CN(C)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000012558449	556047968	/nfs/dbraw/zinc/04/79/68/556047968.db2.gz	HVDTVMZZHLAFBK-OEAKJJBVSA-N	-1	2	483.506	3.606	40	30		JHEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000409072029	570118647	/nfs/dbraw/zinc/11/86/47/570118647.db2.gz	AGMHEUTYGSCVKI-VCHYOVAHSA-N	-1	2	484.892	3.597	40	30		JHEBLM
C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000059135615	195390414	/nfs/dbraw/zinc/39/04/14/195390414.db2.gz	AUHMCKOZBKDLQH-WOJGMQOQSA-N	-1	2	468.437	3.923	40	30		JHEBLM
CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cccc(C(=O)[O-])c3)C(=O)N2CC)cc1	ZINC000020608952	521466759	/nfs/dbraw/zinc/46/67/59/521466759.db2.gz	QTMFKBIIBBFTOT-LIJORCRASA-N	-1	2	469.519	3.542	40	30		JHEBLM
CCOC(=O)c1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc(C(=O)[O-])c3)C(=O)N2CC)cc1	ZINC000020608952	521466767	/nfs/dbraw/zinc/46/67/67/521466767.db2.gz	QTMFKBIIBBFTOT-LIJORCRASA-N	-1	2	469.519	3.542	40	30		JHEBLM
C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OCC	ZINC000408944194	570083309	/nfs/dbraw/zinc/08/33/09/570083309.db2.gz	UAIHXEPSDGIWBU-MHWRWJLKSA-N	-1	2	470.865	3.668	40	30		JHEBLM
CCOC(=O)c1ccc(/N=C2\SC(CC(=O)Nc3cccc(C(=O)[O-])c3)C(=O)N2CC)cc1	ZINC000020608951	521464516	/nfs/dbraw/zinc/46/45/16/521464516.db2.gz	QTMFKBIIBBFTOT-AIUXHPFZSA-N	-1	2	469.519	3.542	40	30		JHEBLM
CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)Nc3cccc(C(=O)[O-])c3)C(=O)N2CC)cc1	ZINC000020608951	521464525	/nfs/dbraw/zinc/46/45/25/521464525.db2.gz	QTMFKBIIBBFTOT-AIUXHPFZSA-N	-1	2	469.519	3.542	40	30		JHEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408787394	570043407	/nfs/dbraw/zinc/04/34/07/570043407.db2.gz	ZICGCMOQSKOXJH-LICLKQGHSA-N	-1	2	499.317	3.616	40	30		JHEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000409066112	570116396	/nfs/dbraw/zinc/11/63/96/570116396.db2.gz	JZJVLWPWLPWSLA-GZTJUZNOSA-N	-1	2	498.919	3.905	40	30		JHEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000409072488	570118824	/nfs/dbraw/zinc/11/88/24/570118824.db2.gz	VQCDOZZRQHELMG-RQZCQDPDSA-N	-1	2	484.892	3.515	40	30		JHEBLM
C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000016161649	519126792	/nfs/dbraw/zinc/12/67/92/519126792.db2.gz	OPFGBABHBNXJGP-UNOMPAQXSA-N	-1	2	464.474	3.956	40	30		JHEBLM
Cc1ccccc1CN=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)[O-]	ZINC000012539487	556012754	/nfs/dbraw/zinc/01/27/54/556012754.db2.gz	AMFFMBOPVWTLCG-LPYMAVHISA-N	-1	2	454.464	3.848	40	30		JHEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000409070591	570118160	/nfs/dbraw/zinc/11/81/60/570118160.db2.gz	ZYSSUVUBBQDLPG-LFIBNONCSA-N	-1	2	484.892	3.597	40	30		JHEBLM
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000408753716	570034992	/nfs/dbraw/zinc/03/49/92/570034992.db2.gz	HJXMNOBEAVFQID-GZTJUZNOSA-N	-1	2	499.317	3.616	40	30		JHEBLM