smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c3cc(O)ccc3c3c(c2cc1OC)C[N@@H+]1CCC[C@H]1[C@@H]3O	ZINC000004934416	204178423	/nfs/dbraw/zinc/17/84/23/204178423.db2.gz	SBVBOLGVLBCFIL-AVRDEDQJSA-N	1	1	365.429	3.727	1	5		FHBFMO
C[n+]1c2c(cc3ccccc31)[nH]c1cc([N+](=O)[O-])c(Br)cc12	ZINC000028826853	204890099	/nfs/dbraw/zinc/89/00/99/204890099.db2.gz	GUVANVKQJYIJDY-UHFFFAOYSA-O	1	1	357.187	3.970	1	5		FHBFMO
COc1cc2c(cc1OC)c1c(O)cccc1c1c2C[N@@H+]2CCC[C@H]2[C@H]1O	ZINC000066259389	205365294	/nfs/dbraw/zinc/36/52/94/205365294.db2.gz	MWKXLFPXHWWBIA-KSFYIVLOSA-N	1	1	365.429	3.727	1	5		FHBFMO
C[NH+](C)CCN1CCN(c2c3[nH]c4ccccc4c3nc3ccccc32)CC1	ZINC000095573836	535875531	/nfs/dbraw/zinc/87/55/31/535875531.db2.gz	JFHPAQKFVDFLBY-UHFFFAOYSA-N	1	1	373.504	3.553	1	5		FHBFMO
CCCN(CCC)[C@](C)(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1	ZINC000073158413	717133776	/nfs/dbraw/zinc/13/37/76/717133776.db2.gz	PHYCQDDAIMNIIQ-QFIPXVFZSA-N	1	1	361.550	3.806	1	5		FHBFMO
COc1ccc2c(CN3CCC([NH3+])CC3)cc3cc4c(cc3c2c1)OCO4	ZINC000043121620	205101084	/nfs/dbraw/zinc/10/10/84/205101084.db2.gz	ZSRWEZQDWWRQGT-UHFFFAOYSA-N	1	1	364.445	3.653	1	5		FHBFMO
COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1	ZINC000064380878	205298184	/nfs/dbraw/zinc/29/81/84/205298184.db2.gz	WXZFAWFIMBPTEP-WOJBJXKFSA-N	1	1	368.433	3.906	1	5	in-vivo	FHBFMO
CC[N@H+]1Cc2c3cc(OC)c(OC)cc3c3cc(OC)ccc3c2[C@@H](O)C1	ZINC000072317697	208832727	/nfs/dbraw/zinc/83/27/27/208832727.db2.gz	YDGQYKBAQLQULF-IBGZPJMESA-N	1	1	367.445	3.888	1	5		FHBFMO
CC[N@@H+]1Cc2c3cc(OC)c(OC)cc3c3cc(OC)ccc3c2[C@@H](O)C1	ZINC000072317697	208832730	/nfs/dbraw/zinc/83/27/30/208832730.db2.gz	YDGQYKBAQLQULF-IBGZPJMESA-N	1	1	367.445	3.888	1	5		FHBFMO
COc1cc2c3cc(O)ccc3c3c(c2cc1OC)C[N@@H+]1CCC[C@H]1[C@H]3O	ZINC000014824811	560226845	/nfs/dbraw/zinc/22/68/45/560226845.db2.gz	SBVBOLGVLBCFIL-PGRDOPGGSA-N	1	1	365.429	3.727	1	5	biogenic,in-vitro	FHBFMO
COc1cc(N(C)C)cc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)c1C	ZINC000064540424	208614648	/nfs/dbraw/zinc/61/46/48/208614648.db2.gz	MZNBQHLIRSXJIX-UHFFFAOYSA-N	1	1	357.454	3.652	1	5		FHBFMO
O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](Nc3ccc4n[nH]cc4c3)C2)c1	ZINC000028640101	581101648	/nfs/dbraw/zinc/10/16/48/581101648.db2.gz	ZGCMTTQGRJYCEP-KRWDZBQOSA-N	1	1	351.410	3.548	1	5		FHBFMO
C[N@H+]1Cc2sc([N+](=O)[O-])cc2[C@H](c2ccc(Br)cc2)C1	ZINC000038157568	208198101	/nfs/dbraw/zinc/19/81/01/208198101.db2.gz	FRBBJNSSTGRZOS-LBPRGKRZSA-N	1	1	353.241	3.996	1	5		FHBFMO
C[N@@H+]1Cc2sc([N+](=O)[O-])cc2[C@H](c2ccc(Br)cc2)C1	ZINC000038157568	208198105	/nfs/dbraw/zinc/19/81/05/208198105.db2.gz	FRBBJNSSTGRZOS-LBPRGKRZSA-N	1	1	353.241	3.996	1	5		FHBFMO
C[N@H+]1Cc2sc([N+](=O)[O-])cc2[C@@H](c2ccc(Br)cc2)C1	ZINC000038157569	208199615	/nfs/dbraw/zinc/19/96/15/208199615.db2.gz	FRBBJNSSTGRZOS-GFCCVEGCSA-N	1	1	353.241	3.996	1	5		FHBFMO
C[N@@H+]1Cc2sc([N+](=O)[O-])cc2[C@@H](c2ccc(Br)cc2)C1	ZINC000038157569	208199620	/nfs/dbraw/zinc/19/96/20/208199620.db2.gz	FRBBJNSSTGRZOS-GFCCVEGCSA-N	1	1	353.241	3.996	1	5		FHBFMO
COc1ccc2c(c1)c1cc(O)c(OC)cc1c1c2[C@H](O)[C@@H]2CCC[N@H+]2C1	ZINC000006018879	560109128	/nfs/dbraw/zinc/10/91/28/560109128.db2.gz	CMFIDYCYVJWPPL-PGRDOPGGSA-N	1	1	365.429	3.727	1	5	biogenic,in-vivo	FHBFMO
O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](Nc3ccc4n[nH]cc4c3)C2)c1	ZINC000028640099	581101675	/nfs/dbraw/zinc/10/16/75/581101675.db2.gz	ZGCMTTQGRJYCEP-QGZVFWFLSA-N	1	1	351.410	3.548	1	5		FHBFMO
C[n+]1c2c3cc(F)cc(F)c3[n-]c2c(NCC[NH+](C)C)c2ccccc21	ZINC000049563427	221025976	/nfs/dbraw/zinc/02/59/76/221025976.db2.gz	WRLAAIPYYUEIDK-UHFFFAOYSA-O	1	1	355.412	3.551	1	5		FHBFMO
COc1ccc2c(C[NH+]3CCC(=O)CC3)cc3cc4c(cc3c2c1)OCO4	ZINC000043065151	220944249	/nfs/dbraw/zinc/94/42/49/220944249.db2.gz	PBDSLAMOBGFRQC-UHFFFAOYSA-N	1	1	363.413	3.895	1	5		FHBFMO
CCCN(CCC)[C@@](C)(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1	ZINC000073158417	717133825	/nfs/dbraw/zinc/13/38/25/717133825.db2.gz	PHYCQDDAIMNIIQ-JOCHJYFZSA-N	1	1	361.550	3.806	1	5		FHBFMO
COc1ccc2c(c1)c1cc(O)c(OC)cc1c1c2[C@@H](O)[C@@H]2CCC[N@H+]2C1	ZINC000014824813	291078338	/nfs/dbraw/zinc/07/83/38/291078338.db2.gz	CMFIDYCYVJWPPL-AVRDEDQJSA-N	1	1	365.429	3.727	1	5	biogenic,in-vivo	FHBFMO
Cc1[nH]c[nH+]c1Cn1ccc2cc(Br)c3ccccc3c2c1=O	ZINC000000584910	219305298	/nfs/dbraw/zinc/30/52/98/219305298.db2.gz	XZUOLTHNIWNNEZ-UHFFFAOYSA-N	1	1	368.234	3.997	1	5		FHBFMO
COc1cc2c3ccc(O)cc3c3c(c2cc1OC)C[N@H+]1CCC[C@H]1[C@H]3O	ZINC000066252340	221242558	/nfs/dbraw/zinc/24/25/58/221242558.db2.gz	YXBZQEWWZUMHRQ-PGRDOPGGSA-N	1	1	365.429	3.727	1	5		FHBFMO