smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1NC(=O)CCl)CC2	ZINC001164795442	721499424	/nfs/dbraw/zinc/49/94/24/721499424.db2.gz	HCGPHRDCMGQYDE-UHFFFAOYSA-N	1	0	413.953	3.535	20	50		HHGDRO
CCc1ccc(-c2nn(-c3ccccc3C)cc2C=NNC(=O)C[N+](C)(C)C)cc1	ZINC000916270862	717194196	/nfs/dbraw/zinc/19/41/96/717194196.db2.gz	QZHRFFHZJMEIAZ-UHFFFAOYSA-O	1	0	404.538	3.566	20	50		HHGDRO
Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(NC(=O)CCl)cn2)CC3)cs1	ZINC001164692777	719815881	/nfs/dbraw/zinc/81/58/81/719815881.db2.gz	RUISHGADNIVHGY-UHFFFAOYSA-N	1	0	419.982	3.659	20	50		HHGDRO
C[N+](C)(C)CC(=O)NN=Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1	ZINC000751380540	717188836	/nfs/dbraw/zinc/18/88/36/717188836.db2.gz	OVNHXQIMOASUMJ-UHFFFAOYSA-O	1	0	416.505	3.501	20	50		HHGDRO
CCSc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C[N+](C)(C)C)cc1	ZINC000916270644	717193189	/nfs/dbraw/zinc/19/31/89/717193189.db2.gz	MMXAMQWMZZESFL-UHFFFAOYSA-O	1	0	422.578	3.808	20	50		HHGDRO
CCOc1cc(C=NNC(=O)C[N+](C)(C)C)ccc1OCc1c(F)cccc1Cl	ZINC000916270926	717193772	/nfs/dbraw/zinc/19/37/72/717193772.db2.gz	WJBGRWHGZKXYFB-UHFFFAOYSA-O	1	0	422.908	3.613	20	50		HHGDRO
O=C(CCl)Nc1cccnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1	ZINC001164995061	722206991	/nfs/dbraw/zinc/20/69/91/722206991.db2.gz	KUSFIFBRUWYMHU-NRFANRHFSA-N	1	0	402.901	3.643	20	50		HHGDRO
CC(C)(C)c1ccc(Oc2ccc(C=NNC(=O)C[N+](C)(C)C)cc2[N+](=O)[O-])cc1	ZINC000916270412	717193350	/nfs/dbraw/zinc/19/33/50/717193350.db2.gz	DVFJHYSHXGCNKH-UHFFFAOYSA-O	1	0	413.498	3.841	20	50		HHGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(Oc2ccc(Br)cc2)cc1	ZINC000794456150	717189368	/nfs/dbraw/zinc/18/93/68/717189368.db2.gz	IMLRWVHIRAHFRS-UHFFFAOYSA-O	1	0	405.316	3.788	20	50		HHGDRO
O=C(CCl)Nc1cccnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1	ZINC001164995064	722207333	/nfs/dbraw/zinc/20/73/33/722207333.db2.gz	KUSFIFBRUWYMHU-OAQYLSRUSA-N	1	0	402.901	3.643	20	50		HHGDRO
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(NC(=O)CCl)cn1)CC2	ZINC001164795589	721503091	/nfs/dbraw/zinc/50/30/91/721503091.db2.gz	MEPZETLTVASGNA-UHFFFAOYSA-N	1	0	413.953	3.535	20	50		HHGDRO
Cc1ccc(C)c(SCC(Cc2ccccc2F)=NNC(=O)C[N+](C)(C)C)c1	ZINC000794455433	717189237	/nfs/dbraw/zinc/18/92/37/717189237.db2.gz	GDWAABWLQILBGV-UHFFFAOYSA-O	1	0	402.559	3.956	20	50		HHGDRO
Cc1cc(C=NNC(=O)C[N+](C)(C)C)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	ZINC000916271087	717194028	/nfs/dbraw/zinc/19/40/28/717194028.db2.gz	YCVUEBQXCJFWIW-UHFFFAOYSA-O	1	0	415.867	3.923	20	50		HHGDRO
O=C(CCl)Nc1ccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1	ZINC001164998528	722211729	/nfs/dbraw/zinc/21/17/29/722211729.db2.gz	WPLCHNCLDUVVMA-OAQYLSRUSA-N	1	0	402.901	3.643	20	50		HHGDRO
COc1ccc(CC(=NNC(=O)C[N+](C)(C)C)c2cc(Cl)ccc2Cl)cc1	ZINC000794458217	717190536	/nfs/dbraw/zinc/19/05/36/717190536.db2.gz	YJFRPKNZGGRJFJ-UHFFFAOYSA-O	1	0	409.337	3.771	20	50		HHGDRO
Cc1ccc(C(C)C)c(Oc2ccc(C=NNC(=O)C[N+](C)(C)C)cc2[N+](=O)[O-])c1	ZINC000916270588	717193214	/nfs/dbraw/zinc/19/32/14/717193214.db2.gz	JRGKBPGFJYGUSY-UHFFFAOYSA-O	1	0	413.498	3.975	20	50		HHGDRO
O=C(CCl)Nc1ccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1	ZINC001164998527	722211170	/nfs/dbraw/zinc/21/11/70/722211170.db2.gz	WPLCHNCLDUVVMA-NRFANRHFSA-N	1	0	402.901	3.643	20	50		HHGDRO
Cc1nc(C[N@@H+]2CCCC23CCN(c2ncccc2NC(=O)CCl)CC3)cs1	ZINC001164693661	719813326	/nfs/dbraw/zinc/81/33/26/719813326.db2.gz	XZBPGUCNBXUYEI-UHFFFAOYSA-N	1	0	419.982	3.659	20	50		HHGDRO