smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N+](=O)[O-])c2c1nc1ccccc1c2NCCC[NH+](C)C	ZINC000003784106	204110639	/nfs/dbraw/zinc/11/06/39/204110639.db2.gz	FECAGPZNMVGWPG-UHFFFAOYSA-N	1	0	354.410	3.668	10	10		FHCERO
NS(=O)(=O)Cc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000005162772	204195736	/nfs/dbraw/zinc/19/57/36/204195736.db2.gz	QPLRHBSMCAJLGG-UHFFFAOYSA-N	1	0	363.442	3.920	10	10		FHCERO
C[N+](C)(CCOc1ccc(N)cc1)CCc1ccc(Br)cc1	ZINC000095642071	570470530	/nfs/dbraw/zinc/47/05/30/570470530.db2.gz	DQPQPYRTZUULAQ-UHFFFAOYSA-N	1	0	364.307	3.729	10	10		FHCERO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1	ZINC000006877880	204279782	/nfs/dbraw/zinc/27/97/82/204279782.db2.gz	OSCUVUUEEXALBH-NRFANRHFSA-N	1	0	365.521	3.879	10	10		FHCERO
[NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(N3CCCCCC3)cc2)N1	ZINC000007127778	204289499	/nfs/dbraw/zinc/28/94/99/204289499.db2.gz	CXAZHFXKIKCMDO-LJQANCHMSA-N	1	0	360.465	3.513	10	10		FHCERO
O=C1CC[C@@H]2C[N@H+](Cc3ccccc3O)CC[C@@H]2N1Cc1ccc(F)cc1	ZINC000015005073	570828936	/nfs/dbraw/zinc/82/89/36/570828936.db2.gz	ZGHTWHHVPPWJMK-XLIONFOSSA-N	1	0	368.452	3.544	10	10		FHCERO
C[NH+](C)Cc1cccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)c1	ZINC000005140478	204194420	/nfs/dbraw/zinc/19/44/20/204194420.db2.gz	QXIXGQFTPKEPOF-UHFFFAOYSA-N	1	0	371.440	3.849	10	10		FHCERO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1	ZINC000006877879	204279888	/nfs/dbraw/zinc/27/98/88/204279888.db2.gz	OSCUVUUEEXALBH-OAQYLSRUSA-N	1	0	365.521	3.879	10	10		FHCERO
Cc1cc(=O)oc2cc(OC(=O)/C=C\c3ccc([N+](C)(C)C)cc3)ccc12	ZINC000031540052	203932045	/nfs/dbraw/zinc/93/20/45/203932045.db2.gz	CJYPRORPWLJGJM-GHXNOFRVSA-N	1	0	364.421	3.917	10	10		FHCERO
COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccsc4)C3)CC2)cc1	ZINC000023373386	136152698	/nfs/dbraw/zinc/15/26/98/136152698.db2.gz	HAUJTUYNDAMVQO-HXUWFJFHSA-N	1	0	371.550	3.543	10	10		FHCERO
CN(C)CC[NH2+]Cc1cc(-c2ccnc3cc(Cl)ccc32)ccc1O	ZINC000045315395	208330480	/nfs/dbraw/zinc/33/04/80/208330480.db2.gz	FXWBDCWMIQRRHO-UHFFFAOYSA-N	1	0	355.869	3.912	10	10		FHCERO
CCOc1ccc(C[NH2+]Cc2ccc(OC)c(Cn3ccnc3)c2)cc1	ZINC000009740766	207285739	/nfs/dbraw/zinc/28/57/39/207285739.db2.gz	FEAYGBIBDHPSFS-UHFFFAOYSA-N	1	0	351.450	3.629	10	10		FHCERO
CN1CCCc2cc([C@H](CNC(=O)C(C)(C)C)[NH+]3CCCCC3)ccc21	ZINC000009137525	536397573	/nfs/dbraw/zinc/39/75/73/536397573.db2.gz	GBKRLZXUOKQYLX-FQEVSTJZSA-N	1	0	357.542	3.758	10	10		FHCERO
CCOc1ccc2c(c1)[C@@](C)(CC[N+](C)(C)Cc1ccccc1)[C@H](O)N2C	ZINC001082547487	717195899	/nfs/dbraw/zinc/19/58/99/717195899.db2.gz	HZIUOBCGEQTEHA-XZOQPEGZSA-N	1	0	369.529	3.778	10	10		FHCERO
CCOc1ccc2c(c1)[C@](C)(CC[N+](C)(C)Cc1ccccc1)[C@@H](O)N2C	ZINC000725237455	717188331	/nfs/dbraw/zinc/18/83/31/717188331.db2.gz	HZIUOBCGEQTEHA-PKTZIBPZSA-N	1	0	369.529	3.778	10	10		FHCERO
Oc1ccc(-c2nc3ccccc3s2)cc1C[NH2+][C@@H]1CN2CCC1CC2	ZINC000023339728	211385083	/nfs/dbraw/zinc/38/50/83/211385083.db2.gz	JPJVCCVHRIXZFQ-GOSISDBHSA-N	1	0	365.502	3.853	10	10		FHCERO
CCOc1ccc2c(c1)[C@](C)(CC[N+](C)(C)Cc1ccccc1)[C@H](O)N2C	ZINC000725237454	717188408	/nfs/dbraw/zinc/18/84/08/717188408.db2.gz	HZIUOBCGEQTEHA-GOTSBHOMSA-N	1	0	369.529	3.778	10	10		FHCERO
COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4ccsc4)C3)CC2)cc1	ZINC000023373388	136152744	/nfs/dbraw/zinc/15/27/44/136152744.db2.gz	HAUJTUYNDAMVQO-FQEVSTJZSA-N	1	0	371.550	3.543	10	10		FHCERO
Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cc[nH+]cc1	ZINC000033557946	220745530	/nfs/dbraw/zinc/74/55/30/220745530.db2.gz	FKFWOARIBLDNPG-MOSHPQCFSA-N	1	0	372.428	3.582	10	10		FHCERO
CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1	ZINC000190430983	132303720	/nfs/dbraw/zinc/30/37/20/132303720.db2.gz	BWFZCWGVPHZTCV-SFTDATJTSA-N	1	0	368.525	3.903	10	10		FHCERO
COc1ccc(-c2c(C)c3cc(O)c(C[NH+](C)C)cc3oc2=O)cc1OC	ZINC000094993477	221842698	/nfs/dbraw/zinc/84/26/98/221842698.db2.gz	ZJPGUOAADYMAJX-UHFFFAOYSA-N	1	0	369.417	3.553	10	10		FHCERO
CCOc1ccc2c(c1)[C@@](C)(CC[N+](C)(C)Cc1ccccc1)[C@@H](O)N2C	ZINC001082547486	717195929	/nfs/dbraw/zinc/19/59/29/717195929.db2.gz	HZIUOBCGEQTEHA-DHIUTWEWSA-N	1	0	369.529	3.778	10	10		FHCERO
CCOc1cccc(C[N@H+]2Cc3cc(OC)ccc3O[C@H](CC)C2)c1O	ZINC000014995301	220140051	/nfs/dbraw/zinc/14/00/51/220140051.db2.gz	NRFRHZQNEHSVLT-QGZVFWFLSA-N	1	0	357.450	3.973	10	10		FHCERO