smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C(#Cc1ccc(C#CC[NH+]2CCCC2)cc1)CN1CCCC1	ZINC000000970458	371655099	/nfs/dbraw/zinc/65/50/99/371655099.db2.gz	MSBDCFQVJOVSKX-UHFFFAOYSA-N	1	3	292.426	2.581	50	30		CFEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1F	ZINC000004785903	170017055	/nfs/dbraw/zinc/01/70/55/170017055.db2.gz	PVWLUZYMSLKYLI-OUZNOSRWSA-N	1	3	298.408	2.823	50	30		CFEAHO
C#C[C@H](CCC)N[C@@]1(C[NH3+])CCCC[C@@H]1C(C)C	ZINC000229939267	778266937	/nfs/dbraw/zinc/26/69/37/778266937.db2.gz	ZDUVFYAGRIGRBA-BZUAXINKSA-N	1	3	250.430	2.922	50	30		CFEAHO
N#Cc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1	ZINC000047970977	373135829	/nfs/dbraw/zinc/13/58/29/373135829.db2.gz	SHOUUPDAMOFIBQ-UHFFFAOYSA-N	1	3	283.419	2.866	50	30		CFEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccs1	ZINC000000070492	371521610	/nfs/dbraw/zinc/52/16/10/371521610.db2.gz	LVTVMSGQULSSKH-VAENJDROSA-N	1	3	286.447	2.746	50	30		CFEAHO
N#Cc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1	ZINC000047968910	373134849	/nfs/dbraw/zinc/13/48/49/373134849.db2.gz	CPTODPCOBNHRNZ-UHFFFAOYSA-N	1	3	283.419	2.866	50	30		CFEAHO
C#C[C@H](CCC)N[C@]1(C[NH3+])CCCC[C@@H]1C(C)C	ZINC000229939276	778267008	/nfs/dbraw/zinc/26/70/08/778267008.db2.gz	ZDUVFYAGRIGRBA-OAGGEKHMSA-N	1	3	250.430	2.922	50	30		CFEAHO
C[N@H+](CCCC#N)C[C@@H]1CCN(Cc2ccccc2)C1	ZINC000078947958	393713958	/nfs/dbraw/zinc/71/39/58/393713958.db2.gz	ZQAJPAGZFGCPBC-KRWDZBQOSA-N	1	3	271.408	2.744	50	30		CFEAHO
C[N@@H+](CCCC#N)C[C@@H]1CCN(Cc2ccccc2)C1	ZINC000078947958	393713962	/nfs/dbraw/zinc/71/39/62/393713962.db2.gz	ZQAJPAGZFGCPBC-KRWDZBQOSA-N	1	3	271.408	2.744	50	30		CFEAHO
C[NH+](C)Cc1ccccc1CNCc1cccc(C#N)c1	ZINC000011094980	371918443	/nfs/dbraw/zinc/91/84/43/371918443.db2.gz	VWAYTHFDWAAOMA-UHFFFAOYSA-N	1	3	279.387	2.910	50	30		CFEAHO
C[N@H+](CCCC#N)C[C@H]1CCN(Cc2ccccc2)C1	ZINC000078947961	393714030	/nfs/dbraw/zinc/71/40/30/393714030.db2.gz	ZQAJPAGZFGCPBC-QGZVFWFLSA-N	1	3	271.408	2.744	50	30		CFEAHO
C[N@@H+](CCCC#N)C[C@H]1CCN(Cc2ccccc2)C1	ZINC000078947961	393714036	/nfs/dbraw/zinc/71/40/36/393714036.db2.gz	ZQAJPAGZFGCPBC-QGZVFWFLSA-N	1	3	271.408	2.744	50	30		CFEAHO
C=C(C)C[NH+]1CCC(NCc2ccc3c[nH]nc3c2)CC1	ZINC000106244878	526604546	/nfs/dbraw/zinc/60/45/46/526604546.db2.gz	OCTNWRMBWXFSIK-UHFFFAOYSA-N	1	3	284.407	2.693	50	30		CFEAHO
C=CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000193329516	526664261	/nfs/dbraw/zinc/66/42/61/526664261.db2.gz	GNRGSHHPSHTUCV-ALOPSCKCSA-N	1	3	256.393	2.958	50	30		CFEAHO
C=CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000193329516	526664262	/nfs/dbraw/zinc/66/42/62/526664262.db2.gz	GNRGSHHPSHTUCV-ALOPSCKCSA-N	1	3	256.393	2.958	50	30		CFEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1	ZINC000000070535	371521398	/nfs/dbraw/zinc/52/13/98/371521398.db2.gz	GTUJYWIZGOLGDY-PDICVPPASA-N	1	3	280.418	2.684	50	30		CFEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccs1	ZINC000000070502	371521764	/nfs/dbraw/zinc/52/17/64/371521764.db2.gz	LVTVMSGQULSSKH-XSHGTHSTSA-N	1	3	286.447	2.746	50	30		CFEAHO
Cc1ccc(C[N+](=O)C2N(C)C(=S)SC2(C)C)cc1	ZINC000002254848	371721551	/nfs/dbraw/zinc/72/15/51/371721551.db2.gz	AXVDITCJMNHFTL-PFSWGADMSA-N	1	3	294.445	2.992	50	30		CFEAHO
CCn1cc(CN2CCC([C@H](C)[NH+](C)C)CC2)cc1C#N	ZINC000077437730	374562568	/nfs/dbraw/zinc/56/25/68/374562568.db2.gz	SLHFENXHGTWTRD-AWEZNQCLSA-N	1	3	288.439	2.542	50	30		CFEAHO
CC1C/C(=C\C=C\N(C)C)C(=O)/C(=C/C=C/[NH+](C)C)C1	ZINC000016133975	372099726	/nfs/dbraw/zinc/09/97/26/372099726.db2.gz	HZTNVWFOZYJJLD-QHWIZYIMSA-N	1	3	274.408	2.989	50	30		CFEAHO
C#C[C@H](CCC)N[C@]1(C[NH3+])CCC(C)(C)C[C@@H]1C	ZINC000229949517	778288265	/nfs/dbraw/zinc/28/82/65/778288265.db2.gz	LOVXNJUPYZEMJB-LZWOXQAQSA-N	1	3	250.430	2.922	50	30		CFEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1	ZINC000000070542	371522334	/nfs/dbraw/zinc/52/23/34/371522334.db2.gz	GTUJYWIZGOLGDY-GPILYODUSA-N	1	3	280.418	2.684	50	30		CFEAHO
CCn1cc(CN2CCC([C@@H](C)[NH+](C)C)CC2)cc1C#N	ZINC000077437728	374561314	/nfs/dbraw/zinc/56/13/14/374561314.db2.gz	SLHFENXHGTWTRD-CQSZACIVSA-N	1	3	288.439	2.542	50	30		CFEAHO
CN(C)C1(CNC(=[NH2+])Nc2ccc(F)cc2F)CCCC1	ZINC000069514445	524034394	/nfs/dbraw/zinc/03/43/94/524034394.db2.gz	KWDMMANHGIHIPU-UHFFFAOYSA-N	1	3	296.365	2.566	50	30		CFEAHO
C=CC/N=C(\SCC[NH+](CC)CC)N(CC)CC	ZINC000016693701	372118368	/nfs/dbraw/zinc/11/83/68/372118368.db2.gz	GJTOCYMZLZSZDV-PFONDFGASA-N	1	3	271.474	2.945	50	30		CFEAHO
C=CC/[NH+]=C(\SCCN(CC)CC)N(CC)CC	ZINC000016693701	372118373	/nfs/dbraw/zinc/11/83/73/372118373.db2.gz	GJTOCYMZLZSZDV-PFONDFGASA-N	1	3	271.474	2.945	50	30		CFEAHO
C#CCOc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1	ZINC000172114406	379496695	/nfs/dbraw/zinc/49/66/95/379496695.db2.gz	YIKQXKQMGDVASC-UHFFFAOYSA-N	1	3	298.430	2.663	50	30		CFEAHO
C#C[C@H](CCC)N[C@@]1(C[NH3+])CCC(C)(C)C[C@@H]1C	ZINC000229949514	778287157	/nfs/dbraw/zinc/28/71/57/778287157.db2.gz	LOVXNJUPYZEMJB-SQWLQELKSA-N	1	3	250.430	2.922	50	30		CFEAHO
Cc1ccc(C[N+](=O)C2N(C)C(=S)SC2(C)C)cc1	ZINC000002254850	371721203	/nfs/dbraw/zinc/72/12/03/371721203.db2.gz	AXVDITCJMNHFTL-DZZSIBQASA-N	1	3	294.445	2.992	50	30		CFEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1F	ZINC000004785902	170016732	/nfs/dbraw/zinc/01/67/32/170016732.db2.gz	PVWLUZYMSLKYLI-FSKGUYTJSA-N	1	3	298.408	2.823	50	30		CFEAHO