smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCC[C@@H]([NH3+])C(=O)N[C@H](C(=O)Nc1ccc2ccccc2c1)c1ccccc1	ZINC000073239987	222268497	/nfs/dbraw/zinc/26/84/97/222268497.db2.gz	FPNWIFMBEUZINE-RTWAWAEBSA-N	2	0	390.487	2.702	1	0		GFAFRP
O=C([C@H]1C[C@@H](Oc2ccc(Cl)cc2)C[NH2+]1)N1CCC[N@@H+](C2CCC2)CC1	ZINC000072181491	205316812	/nfs/dbraw/zinc/31/68/12/205316812.db2.gz	OQKSKCQEXCCVNW-RTBURBONSA-N	2	0	377.916	2.536	1	0		GFAFRP
NC(=[NH2+])c1ccc2[nH]c(-c3ccc(-c4nc5cc(C(N)=[NH2+])ccc5[nH]4)o3)nc2c1	ZINC000005974298	204159733	/nfs/dbraw/zinc/15/97/33/204159733.db2.gz	FZFQYUOWNRDPNY-UHFFFAOYSA-N	2	0	384.403	2.934	1	0		GFAFRP
CC(C)[NH+](CC[C@](CC[NH+]1CCOCC1)(C(N)=O)c1ccccc1)C(C)C	ZINC000039254135	205041352	/nfs/dbraw/zinc/04/13/52/205041352.db2.gz	TZUSJEAELHDFDF-QFIPXVFZSA-N	2	0	375.557	2.641	1	0		GFAFRP
O=C(Nc1cccc(C2=[NH+]CCCN2)c1)Nc1cccc(C2=[NH+]CCCN2)c1	ZINC000045228564	205093838	/nfs/dbraw/zinc/09/38/38/205093838.db2.gz	BRSWJXJPZNHNDD-UHFFFAOYSA-N	2	0	376.464	2.810	1	0		GFAFRP
CC[NH+](CC)CCNc1ccc2c3c1cccc3C(=O)N(CC[NH+](C)C)C2=O	ZINC000045496781	205097959	/nfs/dbraw/zinc/09/79/59/205097959.db2.gz	HYADEEHNVMOUBK-UHFFFAOYSA-N	2	0	382.508	2.751	1	0		GFAFRP
O=C([C@H]1CC12CC[NH+](C1CCOCC1)CC2)N1CC[NH+](C2CCCCC2)CC1	ZINC000043202374	205081570	/nfs/dbraw/zinc/08/15/70/205081570.db2.gz	NDQLDTNYXPALFM-OAQYLSRUSA-N	2	0	389.584	2.744	1	0		GFAFRP
CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]CC	ZINC000027419237	207326055	/nfs/dbraw/zinc/32/60/55/207326055.db2.gz	RIFXFNNRCXNXEJ-UHFFFAOYSA-N	5	0	385.685	2.875	1	0		GFAFRP
C[C@H]1C[NH+]=C(c2ccc(NC(=O)Nc3ccc(C4=[NH+]C[C@H](C)N4)cc3)cc2)N1	ZINC000006495184	206653289	/nfs/dbraw/zinc/65/32/89/206653289.db2.gz	SWVAXZRNNHSCDR-KBPBESRZSA-N	2	0	376.464	2.807	1	0		GFAFRP
O=C(Nc1ccc(Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)cc1)[C@@H]1CCC[NH2+]1	ZINC000066166776	211002453	/nfs/dbraw/zinc/00/24/53/211002453.db2.gz	LVQGCEVXZHUBBK-SFTDATJTSA-N	2	0	392.503	2.658	1	0		GFAFRP
c1cc(C2=[NH+]CCN2)ccc1OCCCCOc1ccc(C2=[NH+]CCN2)cc1	ZINC000001552540	212145237	/nfs/dbraw/zinc/14/52/37/212145237.db2.gz	ZOUKRKJTIHLLOP-UHFFFAOYSA-N	2	0	378.476	2.624	1	0		GFAFRP
c1cc(N2CCC([NH+]3CCCC3)CC2)ccc1CC[N@@H+]1CCC2(C1)OCCO2	ZINC000103298408	136191207	/nfs/dbraw/zinc/19/12/07/136191207.db2.gz	JCEJVDIGZOTIPS-UHFFFAOYSA-N	2	0	385.552	2.743	1	0		GFAFRP
[NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@H](C(=O)Nc1ccc2ccccc2c1)c1ccccc1	ZINC000073239991	222268485	/nfs/dbraw/zinc/26/84/85/222268485.db2.gz	FPNWIFMBEUZINE-NHCUHLMSSA-N	2	0	390.487	2.702	1	0		GFAFRP
NC(=[NH2+])c1cc2[nH]c(-c3cccc(OC[C@@H]4CCC[NH2+]C4)c3O)nc2cc1F	ZINC000012354935	581096716	/nfs/dbraw/zinc/09/67/16/581096716.db2.gz	TYKNBRGVFCIVAT-LLVKDONJSA-N	2	0	383.427	2.737	1	0		GFAFRP
C[C@@H]1C[NH+]=C(c2ccc(NC(=O)Nc3ccc(C4=[NH+]C[C@@H](C)N4)cc3)cc2)N1	ZINC000001691650	212254625	/nfs/dbraw/zinc/25/46/25/212254625.db2.gz	SWVAXZRNNHSCDR-ZIAGYGMSSA-N	2	0	376.464	2.807	1	0		GFAFRP
c1ccc2c(c1)CC(Nc1cc(Nc3cc[nH+]cc3)nc(N3CC[NH2+]CC3)n1)C2	ZINC000045301048	581092394	/nfs/dbraw/zinc/09/23/94/581092394.db2.gz	AMAAYJNDYUIOGC-UHFFFAOYSA-N	2	0	387.491	2.604	1	0		GFAFRP
O=C([C@@H]1CC12CC[NH+](C1CCOCC1)CC2)N1CC[NH+](C2CCCCC2)CC1	ZINC000043202373	205081227	/nfs/dbraw/zinc/08/12/27/205081227.db2.gz	NDQLDTNYXPALFM-NRFANRHFSA-N	2	0	389.584	2.744	1	0		GFAFRP
C[NH+](C)CCCNc1ccc2c3c1cccc3C(=O)N(CCC[NH+](C)C)C2=O	ZINC000040951087	205075141	/nfs/dbraw/zinc/07/51/41/205075141.db2.gz	BCNHQJNBOJKOMG-UHFFFAOYSA-N	2	0	382.508	2.751	1	0		GFAFRP
CN1CC[NH+]=C1c1ccc(NC(=O)Nc2ccc(C3=[NH+]CCN3C)cc2)cc1	ZINC000045230214	205094784	/nfs/dbraw/zinc/09/47/84/205094784.db2.gz	JZLYTSGXEBODGI-UHFFFAOYSA-N	2	0	376.464	2.715	1	0		GFAFRP
C[n+]1ccc(CNC(=O)c2cc3ccccc3n2Cc2ccc(C(N)=[NH2+])cc2)cc1	ZINC000013474297	204490954	/nfs/dbraw/zinc/49/09/54/204490954.db2.gz	JTXFYPDRKGTVII-UHFFFAOYSA-O	2	0	398.490	2.728	1	0		GFAFRP
c1ccc2c(c1)CC(Nc1cc(N3CC[NH2+]CC3)nc(Nc3cc[nH+]cc3)n1)C2	ZINC000045301497	581092300	/nfs/dbraw/zinc/09/23/00/581092300.db2.gz	REBGSWBYORIRGA-UHFFFAOYSA-N	2	0	387.491	2.604	1	0		GFAFRP
NC(=[NH2+])c1cc2[nH]c(-c3cccc(OC[C@H]4CCC[NH2+]C4)c3O)nc2cc1F	ZINC000012354938	581096693	/nfs/dbraw/zinc/09/66/93/581096693.db2.gz	TYKNBRGVFCIVAT-NSHDSACASA-N	2	0	383.427	2.737	1	0		GFAFRP
C[n+]1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(C(N)=[NH2+])c2)cc1	ZINC000013474299	206976624	/nfs/dbraw/zinc/97/66/24/206976624.db2.gz	MSFXCQBITWOFFJ-UHFFFAOYSA-O	2	0	398.490	2.728	1	0		GFAFRP
COc1ccc2cc(C[NH2+]CCCC[NH2+]CCCCN3CC[NH2+]CC3)ccc2c1	ZINC000028823681	207349322	/nfs/dbraw/zinc/34/93/22/207349322.db2.gz	QFCVELWSUSJEOD-UHFFFAOYSA-N	3	0	398.595	2.993	1	0		GFAFRP
CNCC[NH2+][C@H]1CC[C@@]23[C@@H](C[C@@]24CCC[C@@H]14)[C@@]1(O)CCC[C@](C)(C1)C[C@@H]3O	ZINC000085547515	291120529	/nfs/dbraw/zinc/12/05/29/291120529.db2.gz	GXLSAOIQBAQVQI-PCGAYQKKSA-N	2	0	376.585	2.827	1	0	biogenic,in-vitro	GFAFRP
CNCC[NH2+][C@@H]1CC[C@@]23C[C@]4(CCC[C@@H]14)[C@@H]2[C@@H](O)C[C@]1(C)CCC[C@@]3(O)C1	ZINC000085547493	291120531	/nfs/dbraw/zinc/12/05/31/291120531.db2.gz	FHKHPLRWVFJOBM-RRTRDGHFSA-N	2	0	376.585	2.827	1	0	biogenic,in-vitro	GFAFRP