smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCNc1nc(NCCC)nc(N2CCC([NH2+]CCC(c3ccccc3)c3ccccc3)CC2)n1	ZINC000026497766	563028817	/nfs/dbraw/zinc/02/88/17/563028817.db2.gz	NEUQJYFIZKPHRP-UHFFFAOYSA-N	1	3	485.680	5.072	1	30		JKEFHO
CN(C)CCC/[NH+]=C1\C[C@@H](c2ccccc2C(F)(F)F)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027091689	563039509	/nfs/dbraw/zinc/03/95/09/563039509.db2.gz	UIJMMEMDLMIWJZ-VAXTVUGKSA-N	1	3	491.941	5.382	1	30		JKEFHO
Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(/C=C/C(=O)c3ccc(NCC[NH+](C)C)cc3)c2)c1	ZINC000028477131	563066098	/nfs/dbraw/zinc/06/60/98/563066098.db2.gz	LJVUBSZMDAZVBP-UKTHLTGXSA-N	1	3	485.672	5.780	1	30		JKEFHO
CCCCCCCCCCCCCCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](N)CCCC[NH3+]	ZINC000043307784	563169503	/nfs/dbraw/zinc/16/95/03/563169503.db2.gz	AKSLSIIINOSPKU-SXOMAYOGSA-N	1	3	494.809	5.811	1	30		JKEFHO
C=CCN(c1ccncc1)C1CC[NH+](C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1	ZINC000013487344	562967801	/nfs/dbraw/zinc/96/78/01/562967801.db2.gz	DOGXFXDKOAITDQ-BHBYDHKZSA-N	1	3	486.704	5.361	1	30		JKEFHO
CN(C)CCC/[NH+]=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027092272	563039576	/nfs/dbraw/zinc/03/95/76/563039576.db2.gz	HAXUIQUBHUXTBM-WVZIWNLSSA-N	1	3	492.834	5.670	1	30		JKEFHO
Cc1cc(C)cc(-c2ccc(OCC[NH+](C)C)c(/C=C/C(=O)c3ccccc3OCCN(C)C)c2)c1	ZINC000028474151	563065820	/nfs/dbraw/zinc/06/58/20/563065820.db2.gz	UJANORWICPKZMM-ACCUITESSA-N	1	3	486.656	5.747	1	30		JKEFHO
N#CCCCC[N@@H+](CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)CC1CC1	ZINC000034643895	563114453	/nfs/dbraw/zinc/11/44/53/563114453.db2.gz	WQHUJEOBBVFEBT-UHFFFAOYSA-N	1	3	497.131	5.104	1	30		JKEFHO
N#CCCCC[N@H+](CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)CC1CC1	ZINC000034643895	563114454	/nfs/dbraw/zinc/11/44/54/563114454.db2.gz	WQHUJEOBBVFEBT-UHFFFAOYSA-N	1	3	497.131	5.104	1	30		JKEFHO
N#Cc1cccc(-c2ccc([C@@H](NCc3nc4cc(Cl)c(F)cc4[nH]3)C3CC[NH2+]CC3)cc2)c1	ZINC000038157871	563132936	/nfs/dbraw/zinc/13/29/36/563132936.db2.gz	VYAXNDGTGFRSTP-HHHXNRCGSA-N	1	3	473.983	5.725	1	30		JKEFHO
CCCCCCCCCCCCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](N)CCCC[NH3+]	ZINC000043307696	563169458	/nfs/dbraw/zinc/16/94/58/563169458.db2.gz	DASQQWHJTJLXJK-RPBOFIJWSA-N	1	3	466.755	5.031	1	30		JKEFHO
CCCCCCCCCCCCCC[C@@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1	ZINC000064573107	717132286	/nfs/dbraw/zinc/13/22/86/717132286.db2.gz	AARAKSWXYZSQQB-HHHXNRCGSA-N	1	3	462.743	6.072	1	30		JKEFHO
CN(C)CCC/[NH+]=C1\C[C@H](c2ccccc2C(F)(F)F)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027091697	563039479	/nfs/dbraw/zinc/03/94/79/563039479.db2.gz	UIJMMEMDLMIWJZ-PRTAWZAISA-N	1	3	491.941	5.382	1	30		JKEFHO
Cc1cc(C)cc(-c2ccc(N3CC[NH2+]CC3)c(/C=C/C(=O)c3cccc(NCCN(C)C)c3)c2)c1	ZINC000028476570	563066001	/nfs/dbraw/zinc/06/60/01/563066001.db2.gz	OREDZRAWJQALIZ-PKNBQFBNSA-N	1	3	482.672	5.250	1	30		JKEFHO
CCCCCCCCCCCCCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](N)CCCC[NH3+]	ZINC000043308024	563169472	/nfs/dbraw/zinc/16/94/72/563169472.db2.gz	TWUYFJVHROCHBJ-UIOOFZCWSA-N	1	3	480.782	5.421	1	30		JKEFHO
COC(=O)C[C@@H]1c2ccccc2N=C(Nc2ccc(-c3ccccc3)cc2)N1CCCCC[NH3+]	ZINC000049933040	563204690	/nfs/dbraw/zinc/20/46/90/563204690.db2.gz	BZIVJYCHNPZJHO-AREMUKBSSA-N	1	3	456.590	5.502	1	30		JKEFHO
CN(C)CCC/[NH+]=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027092278	563039628	/nfs/dbraw/zinc/03/96/28/563039628.db2.gz	HAXUIQUBHUXTBM-GQIVLKDASA-N	1	3	492.834	5.670	1	30		JKEFHO
Cc1cc(C)cc(-c2ccc(OCC[NH+](C)C)c(/C=C/C(=O)c3cccc(OCCN(C)C)c3)c2)c1	ZINC000028474903	563065813	/nfs/dbraw/zinc/06/58/13/563065813.db2.gz	MRFPUYSUHJGCDH-ZRDIBKRKSA-N	1	3	486.656	5.747	1	30		JKEFHO
Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(/C=C/C(=O)c3cccc(OCC[NH+](C)C)c3)c2)c1	ZINC000028474903	563065814	/nfs/dbraw/zinc/06/58/14/563065814.db2.gz	MRFPUYSUHJGCDH-ZRDIBKRKSA-N	1	3	486.656	5.747	1	30		JKEFHO
Cc1cc(C)cc(-c2ccc(N3CC[NH2+]CC3)c(/C=C/C(=O)c3ccc(NCCN(C)C)cc3)c2)c1	ZINC000040422897	563142054	/nfs/dbraw/zinc/14/20/54/563142054.db2.gz	OJAOFXSJYCRICP-XYOKQWHBSA-N	1	3	482.672	5.250	1	30		JKEFHO
CCCCCCC[NH2+]CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1	ZINC000043059805	563165621	/nfs/dbraw/zinc/16/56/21/563165621.db2.gz	PXFWCGNWAXZVFY-UHFFFAOYSA-N	1	3	460.110	5.258	1	30		JKEFHO
CN(C)CCC/[NH+]=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027096087	563039723	/nfs/dbraw/zinc/03/97/23/563039723.db2.gz	ACSASUOBKIUETQ-WLZXMFKKSA-N	1	3	491.941	5.382	1	30		JKEFHO
Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(/C=C/C(=O)c3ccccc3NCC[NH+](C)C)c2)c1	ZINC000028477236	563066054	/nfs/dbraw/zinc/06/60/54/563066054.db2.gz	CXAVLBRMJLMSDA-ACCUITESSA-N	1	3	485.672	5.780	1	30		JKEFHO
CCCCCCCCCCCCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](N)CCCC[NH3+]	ZINC000043307698	563169378	/nfs/dbraw/zinc/16/93/78/563169378.db2.gz	DASQQWHJTJLXJK-DQEYMECFSA-N	1	3	466.755	5.031	1	30		JKEFHO
CCCCCCCCCCCCCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](N)CCCC[NH3+]	ZINC000043308022	563169522	/nfs/dbraw/zinc/16/95/22/563169522.db2.gz	TWUYFJVHROCHBJ-FTJBHMTQSA-N	1	3	480.782	5.421	1	30		JKEFHO
CCCCCCCCCCCCCC[C@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1	ZINC000064573105	717132708	/nfs/dbraw/zinc/13/27/08/717132708.db2.gz	AARAKSWXYZSQQB-MHZLTWQESA-N	1	3	462.743	6.072	1	30		JKEFHO
CN(C)CCC/[NH+]=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027096080	563039692	/nfs/dbraw/zinc/03/96/92/563039692.db2.gz	ACSASUOBKIUETQ-YFMMNMFTSA-N	1	3	491.941	5.382	1	30		JKEFHO
CN(C)CCC/[NH+]=C1\C[C@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027099854	563039831	/nfs/dbraw/zinc/03/98/31/563039831.db2.gz	CHFBYNGCFHICKH-WLZXMFKKSA-N	1	3	491.941	5.382	1	30		JKEFHO
Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(/C=C/C(=O)c3cccc(NCC[NH+](C)C)c3)c2)c1	ZINC000028474927	563065857	/nfs/dbraw/zinc/06/58/57/563065857.db2.gz	HPYATVSQEZULEX-ZRDIBKRKSA-N	1	3	485.672	5.780	1	30		JKEFHO
Cc1cc(C)cc(-c2ccc(OCC[NH+](C)C)c(/C=C/C(=O)c3ccc(OCCN(C)C)cc3)c2)c1	ZINC000028475490	563065918	/nfs/dbraw/zinc/06/59/18/563065918.db2.gz	YSHKBONEMAVUJK-UKTHLTGXSA-N	1	3	486.656	5.747	1	30		JKEFHO
Fc1ccc(CN(CCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC[NH2+]CC2)cc1	ZINC000013437288	562962504	/nfs/dbraw/zinc/96/25/04/562962504.db2.gz	BYKVRDYRZVKOEH-UHFFFAOYSA-N	1	3	462.453	6.050	1	30		JKEFHO
Fc1ccc(C[N@H+](CCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCNCC2)cc1	ZINC000013437288	562962505	/nfs/dbraw/zinc/96/25/05/562962505.db2.gz	BYKVRDYRZVKOEH-UHFFFAOYSA-N	1	3	462.453	6.050	1	30		JKEFHO
Fc1ccc(C[N@@H+](CCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCNCC2)cc1	ZINC000013437288	562962506	/nfs/dbraw/zinc/96/25/06/562962506.db2.gz	BYKVRDYRZVKOEH-UHFFFAOYSA-N	1	3	462.453	6.050	1	30		JKEFHO
COc1ccc([C@@](C#N)(CCC[NH+]2CCC(NCCOc3ccccc3)CC2)C(C)C)cc1OC	ZINC000013585479	562976344	/nfs/dbraw/zinc/97/63/44/562976344.db2.gz	WMLQWASFAKXNRB-GDLZYMKVSA-N	1	3	479.665	5.034	1	30		JKEFHO
CN(C)CCC/[NH+]=C1\C[C@@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027099848	563039853	/nfs/dbraw/zinc/03/98/53/563039853.db2.gz	CHFBYNGCFHICKH-YFMMNMFTSA-N	1	3	491.941	5.382	1	30		JKEFHO
N#Cc1cccc(-c2ccc([C@H](NCc3nc4cc(Cl)c(F)cc4[nH]3)C3CC[NH2+]CC3)cc2)c1	ZINC000038157870	563132912	/nfs/dbraw/zinc/13/29/12/563132912.db2.gz	VYAXNDGTGFRSTP-MHZLTWQESA-N	1	3	473.983	5.725	1	30		JKEFHO
CCCCCCCCCCCCCCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](N)CCCC[NH3+]	ZINC000043307786	563169483	/nfs/dbraw/zinc/16/94/83/563169483.db2.gz	AKSLSIIINOSPKU-SVBPBHIXSA-N	1	3	494.809	5.811	1	30		JKEFHO
COC(=O)C[C@H]1c2ccccc2N=C(Nc2ccc(-c3ccccc3)cc2)N1CCCCC[NH3+]	ZINC000049933041	563204686	/nfs/dbraw/zinc/20/46/86/563204686.db2.gz	BZIVJYCHNPZJHO-SANMLTNESA-N	1	3	456.590	5.502	1	30		JKEFHO
COc1ccc([C@](C#N)(CCC[NH+]2CCC(NCCOc3ccccc3)CC2)C(C)C)cc1OC	ZINC000013585477	562976339	/nfs/dbraw/zinc/97/63/39/562976339.db2.gz	WMLQWASFAKXNRB-LJAQVGFWSA-N	1	3	479.665	5.034	1	30		JKEFHO
CNCc1cc(C#CCCN2CCC[N@@H+](C(C)C)CC2)ccc1Oc1ccc(SC)cc1	ZINC000028825168	563082185	/nfs/dbraw/zinc/08/21/85/563082185.db2.gz	MKSDMOQTAOJLSE-UHFFFAOYSA-N	1	3	451.680	5.078	1	30		JKEFHO
CNCc1cc(C#CCCN2CCC[N@H+](C(C)C)CC2)ccc1Oc1ccc(SC)cc1	ZINC000028825168	563082187	/nfs/dbraw/zinc/08/21/87/563082187.db2.gz	MKSDMOQTAOJLSE-UHFFFAOYSA-N	1	3	451.680	5.078	1	30		JKEFHO
N=C(CCCCCCCCCCCCC(=[NH2+])NOC(=O)c1ccccc1)NOC(=O)c1ccccc1	ZINC000040934091	563157187	/nfs/dbraw/zinc/15/71/87/563157187.db2.gz	OIBLORYNYXLOQH-UHFFFAOYSA-N	1	3	494.636	6.136	1	30		JKEFHO