smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCC[NH+]2CCOCC2)c1=N	ZINC000004552992	558720363	/nfs/dbraw/zinc/72/03/63/558720363.db2.gz	VPSGNIBOBQWCHS-UHFFFAOYSA-N	1	1	422.489	0.767	50	30		HCEAMO
C[NH+]1CCN(c2oc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2C#N)CC1	ZINC000012421137	568720280	/nfs/dbraw/zinc/72/02/80/568720280.db2.gz	MXJFGFZRQNIGME-UHFFFAOYSA-N	1	1	417.491	0.986	50	30		HCEAMO
CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC000012936609	569027313	/nfs/dbraw/zinc/02/73/13/569027313.db2.gz	LCZCRFBHRLJVBG-QGZVFWFLSA-N	1	1	419.551	0.417	50	30		HCEAMO
CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1	ZINC000012936614	569027321	/nfs/dbraw/zinc/02/73/21/569027321.db2.gz	LCZCRFBHRLJVBG-KRWDZBQOSA-N	1	1	419.551	0.417	50	30		HCEAMO
N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc1	ZINC000014247060	559161382	/nfs/dbraw/zinc/16/13/82/559161382.db2.gz	JFZHSPBQZVMBGF-UHFFFAOYSA-N	1	1	420.535	0.797	50	30		HCEAMO
Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CN3CC[NH+](CCO)CC3)c2c1C#N	ZINC000020479240	568612275	/nfs/dbraw/zinc/61/22/75/568612275.db2.gz	FDVXQGRVLSTUHT-KRWDZBQOSA-N	1	1	409.490	0.405	50	30		HCEAMO
Cc1cc(=O)n2c3ccccc3n(C[C@H](O)CN3CC[NH+](CCO)CC3)c2c1C#N	ZINC000020479243	568612485	/nfs/dbraw/zinc/61/24/85/568612485.db2.gz	FDVXQGRVLSTUHT-QGZVFWFLSA-N	1	1	409.490	0.405	50	30		HCEAMO
C=C(C)Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CCN2CCOCC2)n(C)c1=O	ZINC000020591041	518636532	/nfs/dbraw/zinc/63/65/32/518636532.db2.gz	MGTKDAKAMHWSJJ-UHFFFAOYSA-N	1	1	401.471	0.001	50	30		HCEAMO
Cn1c(NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000032936798	527075581	/nfs/dbraw/zinc/07/55/81/527075581.db2.gz	AYXJSQODYNDFEF-UHFFFAOYSA-N	1	1	406.487	0.310	50	30		HCEAMO
C=CCNC(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(N3CCOCC3)c2C1	ZINC000034676888	557364197	/nfs/dbraw/zinc/36/41/97/557364197.db2.gz	VRXQGENQIDUESG-UHFFFAOYSA-N	1	1	401.515	0.319	50	30		HCEAMO
C#CCOC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1	ZINC000034677266	518312439	/nfs/dbraw/zinc/31/24/39/518312439.db2.gz	CGHMNAJRLXHFTK-GOSISDBHSA-N	1	1	404.511	0.865	50	30		HCEAMO
C#CCOC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1	ZINC000034677267	518304676	/nfs/dbraw/zinc/30/46/76/518304676.db2.gz	CGHMNAJRLXHFTK-SFHVURJKSA-N	1	1	404.511	0.865	50	30		HCEAMO
C=CCNC(=O)N1CC[NH+]([C@@H](C(=O)N2CCN(C(C)=O)CC2)C2CCCC2)CC1	ZINC000036310821	569132095	/nfs/dbraw/zinc/13/20/95/569132095.db2.gz	WJNXKEZYBRLRCU-LJQANCHMSA-N	1	1	405.543	0.749	50	30		HCEAMO
C=CCNC(=O)N1CC[NH+]([C@H](C(=O)N2CCN(C(C)=O)CC2)C2CCCC2)CC1	ZINC000036310822	569132092	/nfs/dbraw/zinc/13/20/92/569132092.db2.gz	WJNXKEZYBRLRCU-IBGZPJMESA-N	1	1	405.543	0.749	50	30		HCEAMO
C=CCNC(=O)N1CCN([C@H](C(=O)NCCC[NH+]2CCOCC2)C2CCCC2)CC1	ZINC000036310999	569132215	/nfs/dbraw/zinc/13/22/15/569132215.db2.gz	JCQAXVOVTGNQNS-FQEVSTJZSA-N	1	1	421.586	0.897	50	30		HCEAMO
C=CCNC(=O)N1CCN([C@@H](C(=O)NCCC[NH+]2CCOCC2)C2CCCC2)CC1	ZINC000036311001	569132199	/nfs/dbraw/zinc/13/21/99/569132199.db2.gz	JCQAXVOVTGNQNS-HXUWFJFHSA-N	1	1	421.586	0.897	50	30		HCEAMO
CC[N@H+]1CCC[C@@H]1CN1CNC(=NS(=O)(=O)c2ccc(OC)c(OC)c2)NC1	ZINC000040387073	521632964	/nfs/dbraw/zinc/63/29/64/521632964.db2.gz	BNJRXKDCTKUFTK-CQSZACIVSA-N	1	1	411.528	0.643	50	30		HCEAMO
CC[N@H+]1CCC[C@H]1CN1CNC(=NS(=O)(=O)c2ccc(OC)c(OC)c2)NC1	ZINC000040387075	521653047	/nfs/dbraw/zinc/65/30/47/521653047.db2.gz	BNJRXKDCTKUFTK-AWEZNQCLSA-N	1	1	411.528	0.643	50	30		HCEAMO
C=C(C)C[NH+]1CCN(C(=O)Cn2c(=O)nc3n2C(=O)N(c2ccc(F)cc2)C3)CC1	ZINC000061717785	559292537	/nfs/dbraw/zinc/29/25/37/559292537.db2.gz	DKBBCXODOSVVLG-UHFFFAOYSA-N	1	1	414.441	0.893	50	30		HCEAMO
C=CC[NH+]1CCN(c2nc3nc(=O)n(-c4ccc5c(c4)OCO5)c(=O)c-3c[nH]2)CC1	ZINC000067262823	571061689	/nfs/dbraw/zinc/06/16/89/571061689.db2.gz	XRQGNWOSPAYVQY-UHFFFAOYSA-N	1	1	408.418	0.918	50	30		HCEAMO
C=CC[NH+]1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)CC1	ZINC000069382831	571225713	/nfs/dbraw/zinc/22/57/13/571225713.db2.gz	HQAIUIFUSSPPQK-UHFFFAOYSA-N	1	1	408.506	0.984	50	30		HCEAMO
C=CCNC(=O)N1CCc2nc(N3CCOCC3)nc(N3CC[NH+](C)CC3)c2C1	ZINC000096280951	568718392	/nfs/dbraw/zinc/71/83/92/568718392.db2.gz	BHKDEEPXRJZPNL-UHFFFAOYSA-N	1	1	401.515	0.319	50	30		HCEAMO
COc1ccc(NC(=O)C2C(=O)N(c3ccc(OC)cc3)C(=O)C2=NNC(N)=[NH2+])cc1	ZINC000101920961	559148502	/nfs/dbraw/zinc/14/85/02/559148502.db2.gz	BWSNRKCIMYFWCK-ONMWIQTLSA-N	1	1	424.417	0.671	50	30		HCEAMO
COc1ccc(NC(=O)C2C(=O)N(c3ccc(OC)cc3)C(=O)C2=NNC(=N)N)cc1	ZINC000101920961	559148501	/nfs/dbraw/zinc/14/85/01/559148501.db2.gz	BWSNRKCIMYFWCK-ONMWIQTLSA-N	1	1	424.417	0.671	50	30		HCEAMO
COc1ccc(NC(=O)C2C(=O)N(c3ccc(OC)cc3)C(=O)C2=NNC(N)=[NH2+])cc1	ZINC000101920968	559148490	/nfs/dbraw/zinc/14/84/90/559148490.db2.gz	BWSNRKCIMYFWCK-UBFADLBMSA-N	1	1	424.417	0.671	50	30		HCEAMO
COc1ccc(NC(=O)C2C(=O)N(c3ccc(OC)cc3)C(=O)C2=NNC(=N)N)cc1	ZINC000101920968	559148489	/nfs/dbraw/zinc/14/84/89/559148489.db2.gz	BWSNRKCIMYFWCK-UBFADLBMSA-N	1	1	424.417	0.671	50	30		HCEAMO
C=CCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](C)C[C@@H]32)C(=O)NC1=S	ZINC000169678480	569126030	/nfs/dbraw/zinc/12/60/30/569126030.db2.gz	LTTDPBPLIGUJHN-DNVCBOLYSA-N	1	1	415.475	0.687	50	30		HCEAMO
C=CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](C)C[C@@H]32)C(=O)NC1=S	ZINC000169678481	569126004	/nfs/dbraw/zinc/12/60/04/569126004.db2.gz	LTTDPBPLIGUJHN-BEFAXECRSA-N	1	1	415.475	0.687	50	30		HCEAMO