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@@]12C[C@@H](CC(C)(C)C1)[N@@H+](CC#C[C@@]1(C)CCCC(C)(C)O1)C2	ZINC000013654252	563920979	/nfs/dbraw/zinc/92/09/79/563920979.db2.gz	KTCNDAUIRVPASO-DUXKGJEZSA-N	1	1	317.517	4.628	40	30		DJEBMO
CSc1ccc(C=NNc2cc(C)[nH+]c3ccccc23)cc1	ZINC000005007743	181189733	/nfs/dbraw/zinc/18/97/33/181189733.db2.gz	BACSEXGOAQZRBS-XDHOZWIPSA-N	1	1	307.422	4.711	40	30		DJEBMO
C[C@H]1CC(C)(C)N(C)c2ccc(C=[NH+]Nc3ccccc3)cc21	ZINC000208204455	563700377	/nfs/dbraw/zinc/70/03/77/563700377.db2.gz	VNCZCGHWLWWFFS-HBBMIWKISA-N	1	1	307.441	4.855	40	30		DJEBMO
COc1ccc(NC(=[NH+]c2ccccc2)c2ccc(O)cc2)cc1	ZINC000006274996	181324950	/nfs/dbraw/zinc/32/49/50/181324950.db2.gz	NVGFOOAPCMBLCV-UHFFFAOYSA-N	1	1	318.376	4.591	40	30		DJEBMO
C[N@H+](CCC#N)Cc1cc(C(C)(C)C)cc(-c2ccccc2)c1O	ZINC000090568826	185304228	/nfs/dbraw/zinc/30/42/28/185304228.db2.gz	RMJBSQWMQBQVGK-UHFFFAOYSA-N	1	1	322.452	4.702	40	30		DJEBMO
C[N@@H+](CCC#N)Cc1cc(C(C)(C)C)cc(-c2ccccc2)c1O	ZINC000090568826	185304229	/nfs/dbraw/zinc/30/42/29/185304229.db2.gz	RMJBSQWMQBQVGK-UHFFFAOYSA-N	1	1	322.452	4.702	40	30		DJEBMO
C[C@@H]1CC(C)(C)N(C)c2ccc(C=[NH+]Nc3ccccc3)cc21	ZINC000208204410	201435031	/nfs/dbraw/zinc/43/50/31/201435031.db2.gz	VNCZCGHWLWWFFS-HFITWMCCSA-N	1	1	307.441	4.855	40	30		DJEBMO
CCCOc1ccc(C=NNc2cc(C)[nH+]c3ccccc23)cc1	ZINC000041127758	183169624	/nfs/dbraw/zinc/16/96/24/183169624.db2.gz	LYCVFTQMBCAFQV-KGENOOAVSA-N	1	1	319.408	4.778	40	30		DJEBMO
C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](CC#C[C@]1(C)CCCC(C)(C)O1)C2	ZINC000217753062	563868201	/nfs/dbraw/zinc/86/82/01/563868201.db2.gz	KTCNDAUIRVPASO-UIFIKXQLSA-N	1	1	317.517	4.628	40	30		DJEBMO
Cc1cc(NN=Cc2cccc(Cl)c2)c2cccc(C)c2[nH+]1	ZINC000005006972	181189935	/nfs/dbraw/zinc/18/99/35/181189935.db2.gz	XIFBUINTHXRAJA-RGVLZGJSSA-N	1	1	309.800	4.951	40	30		DJEBMO
C=CCC1(CC=C)CC[N@H+]1Cc1c2cccnc2[nH]c1C1CC1	ZINC000072393727	191149385	/nfs/dbraw/zinc/14/93/85/191149385.db2.gz	IYDOJCRVCRSTMT-UHFFFAOYSA-N	1	1	307.441	4.537	40	30		DJEBMO
CC(C)(C)N=C(CC[NH+]1CCCCC1)Nc1cccc(Cl)c1	ZINC000001572270	563285610	/nfs/dbraw/zinc/28/56/10/563285610.db2.gz	OURDTIFZVSUDTC-UHFFFAOYSA-N	1	1	321.896	4.634	40	30		DJEBMO
CCOc1ccc(C=NNc2cc(C)[nH+]c3c(C)cccc23)cc1	ZINC000005006974	181190058	/nfs/dbraw/zinc/19/00/58/181190058.db2.gz	SZQKBSIXUJAQJC-FYJGNVAPSA-N	1	1	319.408	4.696	40	30		DJEBMO
Brc1ccc(/C=[NH+]/C23CC4CC(CC(C4)C2)C3)cc1	ZINC000018144484	182094449	/nfs/dbraw/zinc/09/44/49/182094449.db2.gz	VZOLYHHSYZOVNN-YBFXNURJSA-N	1	1	318.258	4.837	40	30		DJEBMO
COc1ccc(NC(=[NH+]c2ccccc2)c2ccccc2)cc1	ZINC000006388992	181336671	/nfs/dbraw/zinc/33/66/71/181336671.db2.gz	JUZYJNXCZOYNPD-UHFFFAOYSA-N	1	1	302.377	4.886	40	30		DJEBMO
CC(C)(C)N=C(CC[NH+]1CCCCC1)Nc1ccc(Cl)cc1	ZINC000001572273	563285788	/nfs/dbraw/zinc/28/57/88/563285788.db2.gz	JGMJXQUJLPOBOM-UHFFFAOYSA-N	1	1	321.896	4.634	40	30		DJEBMO
C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](CC#C[C@@]1(C)CCCC(C)(C)O1)C2	ZINC000013654254	563920908	/nfs/dbraw/zinc/92/09/08/563920908.db2.gz	KTCNDAUIRVPASO-DZFGPLHGSA-N	1	1	317.517	4.628	40	30		DJEBMO
CN(C)c1ccc(/[NH+]=C/C=C2/N(C)c3ccccc3C2(C)C)cc1	ZINC000015986156	182027645	/nfs/dbraw/zinc/02/76/45/182027645.db2.gz	JWYJYJWDFHHNRC-WOFUFUJRSA-N	1	1	319.452	4.766	40	30		DJEBMO