smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1=C(Cn2cc[nH+]c2)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000027731980	563046193	/nfs/dbraw/zinc/04/61/93/563046193.db2.gz	KOBISGPSVZRIHX-BWVDKLOVSA-N	1	2	426.429	3.283	1	5		IGBFLO
COc1cc2c(cc1OC)n(C)c1cc(N3CCN(c4cccc[nH+]4)CC3)c(N)cc1c2=O	ZINC000040421404	563102228	/nfs/dbraw/zinc/10/22/28/563102228.db2.gz	MQGDUTMBNJZYQH-UHFFFAOYSA-N	1	2	445.523	3.013	1	5		IGBFLO
COc1ccccc1N1CC[NH+](CCn2cnc3c4ccc(C)cc4ncc3c2=O)CC1	ZINC000072108677	563163141	/nfs/dbraw/zinc/16/31/41/563163141.db2.gz	YWUAYMAGUKRJCN-UHFFFAOYSA-N	1	2	429.524	3.084	1	5		IGBFLO
C=C1N=C(Cn2cc[nH+]c2)C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCC	ZINC000027720852	563045875	/nfs/dbraw/zinc/04/58/75/563045875.db2.gz	VJJCXFXWPUUWGF-KOXKPCSVSA-N	1	2	426.429	3.283	1	5		IGBFLO
COc1cc2[nH]c3cc(N4CCN(c5cccc[nH+]5)CC4)c(N)cc3c(=O)c2c(OC)c1	ZINC000040950172	563113778	/nfs/dbraw/zinc/11/37/78/563113778.db2.gz	KAIXRHFECQFKET-UHFFFAOYSA-N	1	2	431.496	3.002	1	5		IGBFLO
O=C1CC2(CCCC2)CC(=O)N1CC[NH+]1CCN(c2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000013560136	562994080	/nfs/dbraw/zinc/99/40/80/562994080.db2.gz	XUSSJIRIJFBRBH-UHFFFAOYSA-N	1	2	434.924	3.080	1	5		IGBFLO
COc1cc(OC)c2c(c1)n(C)c1cc(N3CCN(c4cccc[nH+]4)CC3)ccc1c2=O	ZINC000040428884	563103171	/nfs/dbraw/zinc/10/31/71/563103171.db2.gz	VWRQZPWKDHJGPJ-UHFFFAOYSA-N	1	2	430.508	3.431	1	5		IGBFLO
CCOC(=O)C1=C(Cn2cc[nH+]c2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000027724648	563046011	/nfs/dbraw/zinc/04/60/11/563046011.db2.gz	HFMWTQFJLZZYPQ-LDSGZGKSSA-N	1	2	426.429	3.283	1	5		IGBFLO
CCOC(=O)C1=C(Cn2cc[nH+]c2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000000597052	562918526	/nfs/dbraw/zinc/91/85/26/562918526.db2.gz	KOBISGPSVZRIHX-LDSGZGKSSA-N	1	2	426.429	3.283	1	5		IGBFLO
C=C1N=C(Cn2cc[nH+]c2)C(C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCC	ZINC000027720845	563045883	/nfs/dbraw/zinc/04/58/83/563045883.db2.gz	VJJCXFXWPUUWGF-DTBMRADHSA-N	1	2	426.429	3.283	1	5		IGBFLO
COc1cc2c3cnc4cc5c(cc4c3n(CCn3cc[nH+]c3)c(=O)c2cc1OC)OCO5	ZINC000029045005	563072491	/nfs/dbraw/zinc/07/24/91/563072491.db2.gz	APDXFXXOVBLTHB-UHFFFAOYSA-N	1	2	444.447	3.346	1	5		IGBFLO
CCOC(=O)C1=C(Cn2cc[nH+]c2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000027724655	563046034	/nfs/dbraw/zinc/04/60/34/563046034.db2.gz	HFMWTQFJLZZYPQ-BWVDKLOVSA-N	1	2	426.429	3.283	1	5		IGBFLO
COc1cc2c(cc1OCC[NH+]1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c12	ZINC000014969851	563016567	/nfs/dbraw/zinc/01/65/67/563016567.db2.gz	NTXOBQMXOFCPOA-UHFFFAOYSA-N	1	2	433.512	3.129	1	5		IGBFLO
COc1cc(OC)c2c(c1)n(C)c1cc(N3CCN(c4cccc[nH+]4)CC3)c(N)cc1c2=O	ZINC000038216848	563097059	/nfs/dbraw/zinc/09/70/59/563097059.db2.gz	GCFOBPABVOEWHU-UHFFFAOYSA-N	1	2	445.523	3.013	1	5		IGBFLO
NC(=O)[C@H](Cc1c[nH+]c[nH]1)N(Cc1cc(-c2ccccc2)on1)Cc1ccc([N+](=O)[O-])cc1	ZINC000029559219	563082200	/nfs/dbraw/zinc/08/22/00/563082200.db2.gz	PYBXZIZXDPWYJQ-NRFANRHFSA-N	1	2	446.467	3.072	1	5		IGBFLO
NC(=O)[C@H](Cc1c[nH]c[nH+]1)N(Cc1cc(-c2ccccc2)on1)Cc1ccc([N+](=O)[O-])cc1	ZINC000029559219	563082201	/nfs/dbraw/zinc/08/22/01/563082201.db2.gz	PYBXZIZXDPWYJQ-NRFANRHFSA-N	1	2	446.467	3.072	1	5		IGBFLO
NC(=O)[C@@H](Cc1c[nH+]c[nH]1)N(Cc1cc(-c2ccccc2)on1)Cc1ccc([N+](=O)[O-])cc1	ZINC000029559215	563082210	/nfs/dbraw/zinc/08/22/10/563082210.db2.gz	PYBXZIZXDPWYJQ-OAQYLSRUSA-N	1	2	446.467	3.072	1	5		IGBFLO
NC(=O)[C@@H](Cc1c[nH]c[nH+]1)N(Cc1cc(-c2ccccc2)on1)Cc1ccc([N+](=O)[O-])cc1	ZINC000029559215	563082211	/nfs/dbraw/zinc/08/22/11/563082211.db2.gz	PYBXZIZXDPWYJQ-OAQYLSRUSA-N	1	2	446.467	3.072	1	5		IGBFLO