smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)CC(C)(C)c1ccc([O-])c(C[NH+]2CCCCC2)c1	ZINC000001706378	563292494	/nfs/dbraw/zinc/29/24/94/563292494.db2.gz	GWNLLAJONXXKEC-UHFFFAOYSA-N	0	3	303.490	5.092	40	10		DKCBHN
CCN(CC)c1ccc(CNc2cc(C)nc3ccccc32)cc1	ZINC000001729640	563293954	/nfs/dbraw/zinc/29/39/54/563293954.db2.gz	BJOMRYYBSOHJLR-UHFFFAOYSA-N	0	3	319.452	5.002	40	10		DKCBHN
CCCc1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000005011801	563329006	/nfs/dbraw/zinc/32/90/06/563329006.db2.gz	ZDJLOUQRTLSTOF-UHFFFAOYSA-N	0	3	312.416	6.084	40	10		DKCBHN
CN(C)CC1=CC(=NNc2c(Cl)cccc2Cl)C=CC1=O	ZINC000006005896	181304701	/nfs/dbraw/zinc/30/47/01/181304701.db2.gz	BDUAUGFOKGYKLY-VHEBQXMUSA-N	0	3	324.211	5.176	40	10		DKCBHN
CN(C)CC1=CC(=NNc2ccc(Cl)c(Cl)c2)C=CC1=O	ZINC000006005907	181304731	/nfs/dbraw/zinc/30/47/31/181304731.db2.gz	OJWIYISCKKCUHB-VHEBQXMUSA-N	0	3	324.211	5.176	40	10		DKCBHN
CN(C)CC1=CC(=NNc2c(Cl)cccc2Cl)C=CC1=O	ZINC000104312696	563563723	/nfs/dbraw/zinc/56/37/23/563563723.db2.gz	BDUAUGFOKGYKLY-HNENSFHCSA-N	0	3	324.211	5.176	40	10		DKCBHN
CN(C)CC1=CC(=NNc2ccc(Cl)c(Cl)c2)C=CC1=O	ZINC000104312745	563563732	/nfs/dbraw/zinc/56/37/32/563563732.db2.gz	OJWIYISCKKCUHB-HNENSFHCSA-N	0	3	324.211	5.176	40	10		DKCBHN
CCCCN1c2cc(Cl)c(CNCC)cc2[C@@H](C)CC1(C)C	ZINC000223785492	563736678	/nfs/dbraw/zinc/73/66/78/563736678.db2.gz	HHSMARGNQCXINE-AWEZNQCLSA-N	0	3	322.924	5.342	40	10		DKCBHN
CCCNCc1cc2c(cc1Cl)N(CCC)C(C)(C)C[C@@H]2C	ZINC000223787500	563736653	/nfs/dbraw/zinc/73/66/53/563736653.db2.gz	FSZFMOCAOJKHMA-AWEZNQCLSA-N	0	3	322.924	5.342	40	10		DKCBHN
CCCNCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@@H]2C	ZINC000223787577	563736398	/nfs/dbraw/zinc/73/63/98/563736398.db2.gz	DYKFZHDVBNYCHK-AWEZNQCLSA-N	0	3	322.924	5.340	40	10		DKCBHN
CCCCN1c2cc(F)c(CNCCC)cc2[C@@H](C)CC1(C)C	ZINC000223788011	563736623	/nfs/dbraw/zinc/73/66/23/563736623.db2.gz	CPHJLJDIOPCYBI-HNNXBMFYSA-N	0	3	320.496	5.218	40	10		DKCBHN
CCCN1c2cc(Cl)c(CNC(C)C)cc2[C@@H](C)CC1(C)C	ZINC000223789704	563736610	/nfs/dbraw/zinc/73/66/10/563736610.db2.gz	MYVADJUTNZWAMD-AWEZNQCLSA-N	0	3	322.924	5.340	40	10		DKCBHN
CC(C)NCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@@H]2C	ZINC000223789793	563736422	/nfs/dbraw/zinc/73/64/22/563736422.db2.gz	YTFQYTZCYQSJEJ-AWEZNQCLSA-N	0	3	322.924	5.339	40	10		DKCBHN
CCCCN1c2cc(F)c(CNC(C)C)cc2[C@@H](C)CC1(C)C	ZINC000223790299	563736647	/nfs/dbraw/zinc/73/66/47/563736647.db2.gz	BSEDJUYUANQORF-HNNXBMFYSA-N	0	3	320.496	5.216	40	10		DKCBHN
CCCCN1c2cc(Cl)c(CNCC)cc2C(C)=CC1(C)C	ZINC000223800279	563736538	/nfs/dbraw/zinc/73/65/38/563736538.db2.gz	HHAGZASYVNKUAP-UHFFFAOYSA-N	0	3	320.908	5.252	40	10		DKCBHN
CCCNCc1cc2c(cc1Cl)N(CCC)C(C)(C)C=C2C	ZINC000223802204	563736572	/nfs/dbraw/zinc/73/65/72/563736572.db2.gz	DNMPPTKCIPXZOK-UHFFFAOYSA-N	0	3	320.908	5.252	40	10		DKCBHN
CCCNCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C=C2C	ZINC000223802291	563736590	/nfs/dbraw/zinc/73/65/90/563736590.db2.gz	SJSZXXBKZIPIQF-UHFFFAOYSA-N	0	3	320.908	5.250	40	10		DKCBHN
CCCCN1c2cc(F)c(CNC(C)C)cc2[C@H](C)CC1(C)C	ZINC000260714238	563926272	/nfs/dbraw/zinc/92/62/72/563926272.db2.gz	BSEDJUYUANQORF-OAHLLOKOSA-N	0	3	320.496	5.216	40	10		DKCBHN
CCCCN1c2cc(F)c(CNCCC)cc2[C@H](C)CC1(C)C	ZINC000260714493	563926264	/nfs/dbraw/zinc/92/62/64/563926264.db2.gz	CPHJLJDIOPCYBI-OAHLLOKOSA-N	0	3	320.496	5.218	40	10		DKCBHN
CCCNCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@H]2C	ZINC000260714696	563677209	/nfs/dbraw/zinc/67/72/09/563677209.db2.gz	DYKFZHDVBNYCHK-CQSZACIVSA-N	0	3	322.924	5.340	40	10		DKCBHN
CCCNCc1cc2c(cc1Cl)N(CCC)C(C)(C)C[C@H]2C	ZINC000260716795	333591107	/nfs/dbraw/zinc/59/11/07/333591107.db2.gz	FSZFMOCAOJKHMA-CQSZACIVSA-N	0	3	322.924	5.342	40	10		DKCBHN
CCCCN1c2cc(Cl)c(CNCC)cc2[C@H](C)CC1(C)C	ZINC000260716958	563926322	/nfs/dbraw/zinc/92/63/22/563926322.db2.gz	HHSMARGNQCXINE-CQSZACIVSA-N	0	3	322.924	5.342	40	10		DKCBHN
CCCN1c2cc(Cl)c(CNC(C)C)cc2[C@H](C)CC1(C)C	ZINC000260719803	563926287	/nfs/dbraw/zinc/92/62/87/563926287.db2.gz	MYVADJUTNZWAMD-CQSZACIVSA-N	0	3	322.924	5.340	40	10		DKCBHN
CC(C)NCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@H]2C	ZINC000260726476	563926285	/nfs/dbraw/zinc/92/62/85/563926285.db2.gz	YTFQYTZCYQSJEJ-CQSZACIVSA-N	0	3	322.924	5.339	40	10		DKCBHN