smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CF)NC[C@H]1CN(c2ccc(N3CC[NH+](Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	ZINC000038382397	563134140	/nfs/dbraw/zinc/13/41/40/563134140.db2.gz	CHNQWLANTYRRKP-INIZCTEOSA-N	1	2	479.440	2.060	1	5		JEBFLO
O=C(NCCN1CCOCC1)c1ccc(NCC[NH+]2CCOCC2)c2cc3ccccc3nc12	ZINC000027527152	563045665	/nfs/dbraw/zinc/04/56/65/563045665.db2.gz	RFVCYRSCDCNJFM-UHFFFAOYSA-N	1	2	463.582	2.194	1	5		JEBFLO
COC(=O)NC[C@H]1CN(c2ccc(N3CC[NH+](Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	ZINC000045257311	563182808	/nfs/dbraw/zinc/18/28/08/563182808.db2.gz	PYGCEZADZOSADC-INIZCTEOSA-N	1	2	477.449	2.330	1	5		JEBFLO
CC(=O)NC[C@H]1CN(c2ccc(N3CC[N@@H+](Cc4ccc([N+](=O)[O-])o4)C[C@H]3C)c(F)c2)C(=O)O1	ZINC000028525007	563067381	/nfs/dbraw/zinc/06/73/81/563067381.db2.gz	QJUHJINNIKCAGA-KDOFPFPSSA-N	1	2	475.477	2.499	1	5		JEBFLO
CC(=O)NC[C@H]1CN(c2ccc(N3CC[N@H+](Cc4ccc([N+](=O)[O-])o4)C[C@H]3C)c(F)c2)C(=O)O1	ZINC000028525007	563067383	/nfs/dbraw/zinc/06/73/83/563067383.db2.gz	QJUHJINNIKCAGA-KDOFPFPSSA-N	1	2	475.477	2.499	1	5		JEBFLO
COC(=S)NC[C@H]1CN(c2ccc(N3CC[NH+](Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	ZINC000045284216	563183614	/nfs/dbraw/zinc/18/36/14/563183614.db2.gz	XYOGGPGTUYSEST-INIZCTEOSA-N	1	2	493.517	2.495	1	5		JEBFLO
COc1ccccc1N1CC[NH+](CCNC(=O)CCCc2cn(-c3ccc([N+](=O)[O-])cc3)nn2)CC1	ZINC000045285772	563183876	/nfs/dbraw/zinc/18/38/76/563183876.db2.gz	XSVUVQGMSYZTBA-UHFFFAOYSA-N	1	2	493.568	2.445	1	5		JEBFLO
NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCC[NH+]2CCOCC2)c([N+](=O)[O-])c1	ZINC000015935113	563011933	/nfs/dbraw/zinc/01/19/33/563011933.db2.gz	DESSNNNNTOAINM-FQEVSTJZSA-N	1	2	489.960	2.268	3	5		JEBFLO
O=[N+]([O-])c1ccccc1CN1CC[NH+](C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	ZINC000040556656	563145197	/nfs/dbraw/zinc/14/51/97/563145197.db2.gz	DEPJDEKLNIKWQX-JOCHJYFZSA-N	1	2	458.469	2.170	1	5		JEBFLO
O=[N+]([O-])c1ccccc1C[NH+]1CCN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	ZINC000040556656	563145198	/nfs/dbraw/zinc/14/51/98/563145198.db2.gz	DEPJDEKLNIKWQX-JOCHJYFZSA-N	1	2	458.469	2.170	1	5		JEBFLO
O=[N+]([O-])c1ccccc1CN1CC[NH+](C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	ZINC000040556657	563145194	/nfs/dbraw/zinc/14/51/94/563145194.db2.gz	DEPJDEKLNIKWQX-QFIPXVFZSA-N	1	2	458.469	2.170	1	5		JEBFLO
O=[N+]([O-])c1ccccc1C[NH+]1CCN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	ZINC000040556657	563145195	/nfs/dbraw/zinc/14/51/95/563145195.db2.gz	DEPJDEKLNIKWQX-QFIPXVFZSA-N	1	2	458.469	2.170	1	5		JEBFLO
Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(NCC[NH+]3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000015936209	563012027	/nfs/dbraw/zinc/01/20/27/563012027.db2.gz	FLRPWCHWBHSQIM-OAQYLSRUSA-N	1	2	469.542	2.302	3	5		JEBFLO
CC(=O)NC[C@H]1CN(c2ccc(N3CC[NH+](Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	ZINC000003955551	562930851	/nfs/dbraw/zinc/93/08/51/562930851.db2.gz	PWHNTOQANLCTHN-KRWDZBQOSA-N	1	2	461.450	2.110	1	5		JEBFLO
O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1	ZINC000028713016	563077244	/nfs/dbraw/zinc/07/72/44/563077244.db2.gz	JCCNRANFDZZDRN-OAQYLSRUSA-N	1	2	462.432	2.314	1	5		JEBFLO
Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(NCC[NH+]3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000015936208	563012022	/nfs/dbraw/zinc/01/20/22/563012022.db2.gz	FLRPWCHWBHSQIM-NRFANRHFSA-N	1	2	469.542	2.302	3	5		JEBFLO
Cc1nc2c3ccccc3n3c(CCCC(=O)N4CCN(c5cccc[nH+]5)CC4)nnc3n2n1	ZINC000009860207	195000464	/nfs/dbraw/zinc/00/04/64/195000464.db2.gz	UCXRPQPVDRYWHV-UHFFFAOYSA-N	1	2	455.526	2.300	1	5		JEBFLO
O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])o3)CC2)c(F)c1	ZINC000043201072	563168489	/nfs/dbraw/zinc/16/84/89/563168489.db2.gz	FIBJYSJDTFBRJY-KRWDZBQOSA-N	1	2	471.449	2.266	1	5		JEBFLO
O=[N+]([O-])c1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1	ZINC000028713015	563077202	/nfs/dbraw/zinc/07/72/02/563077202.db2.gz	JCCNRANFDZZDRN-NRFANRHFSA-N	1	2	462.432	2.314	1	5		JEBFLO
O=C(NC[C@H]1CN(c2ccc(N3CC[NH+](Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1)C(F)F	ZINC000038455772	563134571	/nfs/dbraw/zinc/13/45/71/563134571.db2.gz	DWOYKRAIDUNFPN-HNNXBMFYSA-N	1	2	497.430	2.356	1	5		JEBFLO
NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCC[NH+]2CCOCC2)c([N+](=O)[O-])c1	ZINC000015935112	563011936	/nfs/dbraw/zinc/01/19/36/563011936.db2.gz	DESSNNNNTOAINM-HXUWFJFHSA-N	1	2	489.960	2.268	3	5		JEBFLO
CC(=O)NC[C@H]1CN(c2ccc(N3CC[N@@H+](Cc4ccc([N+](=O)[O-])o4)C[C@@H]3C)c(F)c2)C(=O)O1	ZINC000028525008	563067409	/nfs/dbraw/zinc/06/74/09/563067409.db2.gz	QJUHJINNIKCAGA-KSSFIOAISA-N	1	2	475.477	2.499	1	5		JEBFLO
CC(=O)NC[C@H]1CN(c2ccc(N3CC[N@H+](Cc4ccc([N+](=O)[O-])o4)C[C@@H]3C)c(F)c2)C(=O)O1	ZINC000028525008	563067411	/nfs/dbraw/zinc/06/74/11/563067411.db2.gz	QJUHJINNIKCAGA-KSSFIOAISA-N	1	2	475.477	2.499	1	5		JEBFLO