smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([C@@H]1CC12CC[NH+](C[C@@H]1CC=CCC1)CC2)N1CC[NH+](C/C=C/c2ccccc2)CC1	ZINC000020256745	526461006	/nfs/dbraw/zinc/46/10/06/526461006.db2.gz	YTMIGZHRSJCUOR-PNUHHQPTSA-N	2	2	433.640	4.302	10	0		IIAELP
COc1cc(Br)cc(C[NH2+]CCCn2cc[nH+]c2)c1OCc1ccccc1	ZINC000010314153	556330533	/nfs/dbraw/zinc/33/05/33/556330533.db2.gz	DUSNFCOEGLFJDU-UHFFFAOYSA-N	2	2	430.346	4.413	10	0		IIAELP
Fc1ccc(F)c(C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1F	ZINC000012166382	526349476	/nfs/dbraw/zinc/34/94/76/526349476.db2.gz	WIHMRTKSWMRIIY-INIZCTEOSA-N	2	2	436.547	4.461	10	0		IIAELP
Fc1ccc(F)c(C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1F	ZINC000012166382	526349481	/nfs/dbraw/zinc/34/94/81/526349481.db2.gz	WIHMRTKSWMRIIY-INIZCTEOSA-N	2	2	436.547	4.461	10	0		IIAELP
O=C(c1cnc(C[NH+]2CCCC2)s1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2	ZINC000012718809	526872427	/nfs/dbraw/zinc/87/24/27/526872427.db2.gz	ALHXZTABANCAKK-DEOSSOPVSA-N	2	2	442.604	4.006	10	0		IIAELP
O=C(c1cnc(C[NH+]2CCCC2)s1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2	ZINC000012718809	526872433	/nfs/dbraw/zinc/87/24/33/526872433.db2.gz	ALHXZTABANCAKK-DEOSSOPVSA-N	2	2	442.604	4.006	10	0		IIAELP
CCCOc1c(Br)cc(C[NH2+]CCCn2cc[nH+]c2)cc1Br	ZINC000020926978	520289327	/nfs/dbraw/zinc/28/93/27/520289327.db2.gz	CGLDPHMKFUFCBB-UHFFFAOYSA-N	2	2	431.172	4.377	10	0		IIAELP
O=C([C@@H]1CC12CC[NH+](Cc1ccc(F)cc1)CC2)N1CC[NH+](C/C=C/c2ccccc2)CC1	ZINC000011783536	556351850	/nfs/dbraw/zinc/35/18/50/556351850.db2.gz	JYPPMEYMAGXADC-KCROQMHPSA-N	2	2	447.598	4.285	10	0		IIAELP
CC(C)[NH+]1CCC(CC(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=[NH+]C(C)(C)C)CC1	ZINC000065260124	556519020	/nfs/dbraw/zinc/51/90/20/556519020.db2.gz	QWJDNCJOZXJOJE-AREMUKBSSA-N	2	2	439.648	4.402	10	0		IIAELP
CCCOc1c(Br)cc(Br)cc1C[NH2+]CCCn1cc[nH+]c1	ZINC000020929891	520290117	/nfs/dbraw/zinc/29/01/17/520290117.db2.gz	WDLLGGCFURAEHL-UHFFFAOYSA-N	2	2	431.172	4.377	10	0		IIAELP
Fc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1F	ZINC000012166374	526348113	/nfs/dbraw/zinc/34/81/13/526348113.db2.gz	WIHMRTKSWMRIIY-MRXNPFEDSA-N	2	2	436.547	4.461	10	0		IIAELP
Fc1ccc(F)c(C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1F	ZINC000012166374	526348117	/nfs/dbraw/zinc/34/81/17/526348117.db2.gz	WIHMRTKSWMRIIY-MRXNPFEDSA-N	2	2	436.547	4.461	10	0		IIAELP
CC(=O)N1CC[NH+](CCOc2ccc(C[N@H+](C)Cc3cc4ccccc4s3)cc2)CC1	ZINC000015071902	556496651	/nfs/dbraw/zinc/49/66/51/556496651.db2.gz	UXALOQSTFZCEJX-UHFFFAOYSA-N	2	2	437.609	4.076	10	0		IIAELP
CC(=O)N1CC[NH+](CCOc2ccc(C[N@@H+](C)Cc3cc4ccccc4s3)cc2)CC1	ZINC000015071902	556496655	/nfs/dbraw/zinc/49/66/55/556496655.db2.gz	UXALOQSTFZCEJX-UHFFFAOYSA-N	2	2	437.609	4.076	10	0		IIAELP
O=C([C@H]1CC12CC[NH+](Cc1ccc(F)cc1)CC2)N1CC[NH+](C/C=C/c2ccccc2)CC1	ZINC000011783535	556351806	/nfs/dbraw/zinc/35/18/06/556351806.db2.gz	JYPPMEYMAGXADC-QBHGEWLWSA-N	2	2	447.598	4.285	10	0		IIAELP
C[NH+]1CCN(c2ccc3[nH+]cc(C(N)=O)c(Nc4ccc(Cl)c(Cl)c4)c3c2)CC1	ZINC000040936664	563112842	/nfs/dbraw/zinc/11/28/42/563112842.db2.gz	MQZJBVHUSKMWHO-UHFFFAOYSA-N	2	2	430.339	4.136	10	0		IIAELP
CC(C)[NH+]1CCC(CC(=O)N2CCC[C@@]3(C2)Nc2ccccc2NC3=[NH+]C(C)(C)C)CC1	ZINC000065260125	556518987	/nfs/dbraw/zinc/51/89/87/556518987.db2.gz	QWJDNCJOZXJOJE-SANMLTNESA-N	2	2	439.648	4.402	10	0		IIAELP
O=C(Cn1ccc2c1cc[nH+]c2SCc1ccc(F)cc1)NCCC[NH+]1CCCC1	ZINC000033298587	557074545	/nfs/dbraw/zinc/07/45/45/557074545.db2.gz	IMWZESPFYXGJLO-UHFFFAOYSA-N	2	2	426.561	4.070	10	0		IIAELP
CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Cl)c1OCc1ccc(C)cc1	ZINC000020874813	520711352	/nfs/dbraw/zinc/71/13/52/520711352.db2.gz	ZUKGXDHLNOKRJO-UHFFFAOYSA-N	2	2	432.992	4.438	10	0		IIAELP
NC(=O)C1([NH+]2CCCCC2)CC[NH+](CCCN2c3ccccc3CCc3ccccc32)CC1	ZINC000000597537	562918488	/nfs/dbraw/zinc/91/84/88/562918488.db2.gz	NWPJLRSCSQHPJV-UHFFFAOYSA-N	2	2	446.639	4.119	10	0	in-man	IIAELP
O=C(c1cnc(C[NH+]2CCCC2)s1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2	ZINC000012718808	526872582	/nfs/dbraw/zinc/87/25/82/526872582.db2.gz	ALHXZTABANCAKK-XMMPIXPASA-N	2	2	442.604	4.006	10	0		IIAELP
O=C(c1cnc(C[NH+]2CCCC2)s1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2	ZINC000012718808	526872584	/nfs/dbraw/zinc/87/25/84/526872584.db2.gz	ALHXZTABANCAKK-XMMPIXPASA-N	2	2	442.604	4.006	10	0		IIAELP
C[NH+]1CCN(c2ccc3[nH+]cc(C(N)=O)c(Nc4ccc(Cl)cc4Cl)c3c2)CC1	ZINC000040936662	563112860	/nfs/dbraw/zinc/11/28/60/563112860.db2.gz	FOCCIZUKXRUVPC-UHFFFAOYSA-N	2	2	430.339	4.136	10	0		IIAELP
C[NH+]1CCN(c2ccc3[nH+]cc(C(N)=O)c(Nc4cccc(Cl)c4Cl)c3c2)CC1	ZINC000040936665	563112831	/nfs/dbraw/zinc/11/28/31/563112831.db2.gz	MEBLWRXAWHUORA-UHFFFAOYSA-N	2	2	430.339	4.136	10	0		IIAELP