smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Cl)c1cccnc1	ZINC000159893764	332724068	/nfs/dbraw/zinc/72/40/68/332724068.db2.gz	ZBNGQAXDEXHIJS-JTQLQIEISA-N	1	1	314.738	4.605	20	70		DJIDMO
C[C@H]([NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C)c1ccccn1	ZINC000159369480	525543599	/nfs/dbraw/zinc/54/35/99/525543599.db2.gz	RJGCBJUXSDQEEE-SJCJKPOMSA-N	1	1	304.384	4.798	20	70		DJIDMO
C[C@H]([NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C)c1ccccn1	ZINC000159369753	525598604	/nfs/dbraw/zinc/59/86/04/525598604.db2.gz	RJGCBJUXSDQEEE-YVEFUNNKSA-N	1	1	304.384	4.798	20	70		DJIDMO
Cc1ccc(C)c([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)c1	ZINC000160733999	333482916	/nfs/dbraw/zinc/48/29/16/333482916.db2.gz	KECULITWECZHPI-HNNXBMFYSA-N	1	1	323.465	4.673	20	70		DJIDMO
Cc1ccc(C[NH+](Cc2cccs2)Cc2cccs2)nc1	ZINC000159520014	332652818	/nfs/dbraw/zinc/65/28/18/332652818.db2.gz	FMKPGMQCFGLMEC-UHFFFAOYSA-N	1	1	314.479	4.715	20	70		DJIDMO
CCc1noc(C)c1C[NH2+][C@H](c1ccccc1)c1cccc(F)c1	ZINC000159481888	522849107	/nfs/dbraw/zinc/84/91/07/522849107.db2.gz	LJHPNAAIWGUQDJ-HXUWFJFHSA-N	1	1	324.399	4.564	20	70		DJIDMO
CC[C@@H]([NH2+][C@H](CC)c1ccc(F)cc1F)c1nc(C)cs1	ZINC000160890405	333680331	/nfs/dbraw/zinc/68/03/31/333680331.db2.gz	VKUPSYDZNFTHDO-HUUCEWRRSA-N	1	1	310.413	4.922	20	70		DJIDMO
CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1F)c1nc(C)cs1	ZINC000160890279	333680356	/nfs/dbraw/zinc/68/03/56/333680356.db2.gz	VKUPSYDZNFTHDO-LSDHHAIUSA-N	1	1	310.413	4.922	20	70		DJIDMO
COc1ccc([C@H]([NH2+]Cc2c(F)cccc2Cl)C2CC2)cc1	ZINC000217024590	337241383	/nfs/dbraw/zinc/24/13/83/337241383.db2.gz	ALNKSVMSJYSNNN-GOSISDBHSA-N	1	1	319.807	4.729	20	70		DJIDMO
CCC[C@H]([NH2+]Cc1cc(C)no1)c1ccc(Cl)cc1Cl	ZINC000159381311	332081506	/nfs/dbraw/zinc/08/15/06/332081506.db2.gz	UOLJKVSYPNTDJZ-HNNXBMFYSA-N	1	1	313.228	4.921	20	70		DJIDMO
CCc1noc(C)c1C[NH2+][C@@H](c1ccccc1)c1cccc(F)c1	ZINC000159481732	522847128	/nfs/dbraw/zinc/84/71/28/522847128.db2.gz	LJHPNAAIWGUQDJ-FQEVSTJZSA-N	1	1	324.399	4.564	20	70		DJIDMO
COc1ccc([C@@H]([NH2+]Cc2c(F)cccc2Cl)C2CC2)cc1	ZINC000217024550	337241356	/nfs/dbraw/zinc/24/13/56/337241356.db2.gz	ALNKSVMSJYSNNN-SFHVURJKSA-N	1	1	319.807	4.729	20	70		DJIDMO
CC[C@@H](C)c1ccc([C@@H]([NH2+]Cc2cc(C)on2)C(C)C)cc1	ZINC000216775872	333182921	/nfs/dbraw/zinc/18/29/21/333182921.db2.gz	CEWRGTGUXMEUOK-KUHUBIRLSA-N	1	1	300.446	4.983	20	70		DJIDMO
CC[C@@H](C)c1ccc([C@H]([NH2+]Cc2cc(C)on2)C(C)C)cc1	ZINC000216775958	340485544	/nfs/dbraw/zinc/48/55/44/340485544.db2.gz	CEWRGTGUXMEUOK-AUUYWEPGSA-N	1	1	300.446	4.983	20	70		DJIDMO
CC[C@@H]([NH2+][C@@H](CC)c1nc(C)cs1)c1ccc(F)cc1F	ZINC000160890152	333680317	/nfs/dbraw/zinc/68/03/17/333680317.db2.gz	VKUPSYDZNFTHDO-CABCVRRESA-N	1	1	310.413	4.922	20	70		DJIDMO
Cc1cccc([C@@H](C)[NH2+]Cc2csc(-c3ccccc3)n2)c1	ZINC000160410484	332790965	/nfs/dbraw/zinc/79/09/65/332790965.db2.gz	CLZLPGOMLDBBNQ-OAHLLOKOSA-N	1	1	308.450	4.969	20	70		DJIDMO
Cc1ccc(C)c([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)c1	ZINC000160733891	333482949	/nfs/dbraw/zinc/48/29/49/333482949.db2.gz	KECULITWECZHPI-OAHLLOKOSA-N	1	1	323.465	4.673	20	70		DJIDMO
C[C@@H]([NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C)c1ccccn1	ZINC000159369891	525669562	/nfs/dbraw/zinc/66/95/62/525669562.db2.gz	RJGCBJUXSDQEEE-SJKOYZFVSA-N	1	1	304.384	4.798	20	70		DJIDMO
C[C@@H]([NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C)c1ccccn1	ZINC000159369618	525628566	/nfs/dbraw/zinc/62/85/66/525628566.db2.gz	RJGCBJUXSDQEEE-PXAZEXFGSA-N	1	1	304.384	4.798	20	70		DJIDMO
CCC[C@@H]([NH2+]Cc1cc(C)no1)c1ccc(Cl)cc1Cl	ZINC000159381443	332081680	/nfs/dbraw/zinc/08/16/80/332081680.db2.gz	UOLJKVSYPNTDJZ-OAHLLOKOSA-N	1	1	313.228	4.921	20	70		DJIDMO
CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2Cl)cn1	ZINC000160050632	332751464	/nfs/dbraw/zinc/75/14/64/332751464.db2.gz	GRCXGWVUBWGIFE-LBPRGKRZSA-N	1	1	322.811	4.512	20	70		DJIDMO