smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1	ZINC000029334775	563100758	/nfs/dbraw/zinc/10/07/58/563100758.db2.gz	HNVLTLIDTWHFKZ-PZJWPPBQSA-N	2	0	450.543	1.320	1	30		JDEFRP
C=CC[N@+](C)(CCNC(=O)CNC(=O)CNC(=O)C[N+]1(CC=C)CCCCC1)Cc1ccccc1	ZINC000253863819	717169126	/nfs/dbraw/zinc/16/91/26/717169126.db2.gz	IYQGGONWUPXMCQ-WJOKGBTCSA-P	2	0	485.673	1.355	1	30		JDEFRP
CCCCCCCC(=O)NCCCC[C@H]([NH3+])C(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+]	ZINC000044430838	563172800	/nfs/dbraw/zinc/17/28/00/563172800.db2.gz	XFWOUFHAYKZQJF-QFIPXVFZSA-N	4	0	456.720	1.775	1	30		JDEFRP
NC(=[NH2+])NCCCCCCNC(=O)COC(=O)NCCCC[NH2+]CC[C@@H]([NH3+])c1ccccc1	ZINC000027549090	563045962	/nfs/dbraw/zinc/04/59/62/563045962.db2.gz	PZKIKCIMHAZDOE-HXUWFJFHSA-N	3	0	463.627	1.123	1	30		JDEFRP
CC[C@H](C)[C@@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OC)NC[C@H]([NH3+])CS	ZINC000027847551	563051789	/nfs/dbraw/zinc/05/17/89/563051789.db2.gz	WFQPZFFCDFEPDQ-JFZIVLOISA-N	2	0	498.759	1.860	1	30		JDEFRP
CC[C@H](C)[C@@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OC)NC[C@@H]([NH3+])CS	ZINC000027847537	563051799	/nfs/dbraw/zinc/05/17/99/563051799.db2.gz	WFQPZFFCDFEPDQ-WFMNFSIZSA-N	2	0	498.759	1.860	1	30		JDEFRP
C[NH2+][C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028251260	563058921	/nfs/dbraw/zinc/05/89/21/563058921.db2.gz	SBWRJWPVMXNQFR-LWSSLDFYSA-N	2	0	494.640	1.383	1	30		JDEFRP
C[NH2+][C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028251269	563058991	/nfs/dbraw/zinc/05/89/91/563058991.db2.gz	SBWRJWPVMXNQFR-JLLPCOHGSA-N	2	0	494.640	1.383	1	30		JDEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1	ZINC000029340145	563100987	/nfs/dbraw/zinc/10/09/87/563100987.db2.gz	XYUYZQJMXGYABJ-FPOVZHCZSA-N	2	0	450.543	1.320	1	30		JDEFRP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1	ZINC000029348213	563101431	/nfs/dbraw/zinc/10/14/31/563101431.db2.gz	HNVLTLIDTWHFKZ-TZIWHRDSSA-N	2	0	450.543	1.320	1	30		JDEFRP
C=CC[N+](C)(CCNC(=O)CNC(=O)CNC(=O)C[N+]1(CC=C)CCCCC1)Cc1ccccc1	ZINC000039072571	717126781	/nfs/dbraw/zinc/12/67/81/717126781.db2.gz	IYQGGONWUPXMCQ-UHFFFAOYSA-P	2	0	485.673	1.355	1	30		JDEFRP
CC[C@@H](C)[C@@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OC)NC[C@H]([NH3+])CS	ZINC000027847544	563051786	/nfs/dbraw/zinc/05/17/86/563051786.db2.gz	WFQPZFFCDFEPDQ-ZQOQTTQJSA-N	2	0	498.759	1.860	1	30		JDEFRP
N#Cc1ccc(NCC(F)(F)c2ccccn2)[n+]([O-])c1C[C@@H](O)[NH2+]Cc1ccccc1C[NH3+]	ZINC000028525092	563067451	/nfs/dbraw/zinc/06/74/51/563067451.db2.gz	AXTZANKODNWRAR-JOCHJYFZSA-N	2	0	454.481	1.900	1	30		JDEFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1	ZINC000029339859	563100984	/nfs/dbraw/zinc/10/09/84/563100984.db2.gz	HNVLTLIDTWHFKZ-FPOVZHCZSA-N	2	0	450.543	1.320	1	30		JDEFRP
C=CC[N@@+](C)(CCNC(=O)CNC(=O)CNC(=O)C[N+]1(CC=C)CCCCC1)Cc1ccccc1	ZINC000253863817	717169074	/nfs/dbraw/zinc/16/90/74/717169074.db2.gz	IYQGGONWUPXMCQ-HKBQPEDESA-P	2	0	485.673	1.355	1	30		JDEFRP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1	ZINC000029334770	563100683	/nfs/dbraw/zinc/10/06/83/563100683.db2.gz	HNVLTLIDTWHFKZ-CTNGQTDRSA-N	2	0	450.543	1.320	1	30		JDEFRP
CC[C@@H](C)[C@@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OC)NC[C@@H]([NH3+])CS	ZINC000027847530	563051772	/nfs/dbraw/zinc/05/17/72/563051772.db2.gz	WFQPZFFCDFEPDQ-MBMVPVEPSA-N	2	0	498.759	1.860	1	30		JDEFRP
CN(CC[N+](C)(C)Cc1ccccc1)C(=O)CN(C)C(=O)CN(C)C(=O)C[N+]1(C)CCCCC1	ZINC000040498284	563144731	/nfs/dbraw/zinc/14/47/31/563144731.db2.gz	CTNSKMCBSVHCLN-UHFFFAOYSA-N	2	0	475.678	1.269	1	30		JDEFRP
[NH2+]=C(NCCCO)c1ccc(N2CCCN(c3ccc(C(=[NH2+])NCCCO)cc3)CC2)cc1	ZINC000026638269	563031473	/nfs/dbraw/zinc/03/14/73/563031473.db2.gz	NEGRZCXVEUVJRM-UHFFFAOYSA-N	2	0	452.603	1.788	1	30		JDEFRP
NC(=[NH2+])NCCCCCCNC(=O)COC(=O)NCCCC[NH2+]CC[C@H]([NH3+])c1ccccc1	ZINC000027549087	563045972	/nfs/dbraw/zinc/04/59/72/563045972.db2.gz	PZKIKCIMHAZDOE-FQEVSTJZSA-N	3	0	463.627	1.123	1	30		JDEFRP
CC[N+](CC)(CC)CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=[NH2+])n(C)c2)n(C)c1	ZINC000028229345	563058283	/nfs/dbraw/zinc/05/82/83/563058283.db2.gz	OGMDCDFXNOSAGM-UHFFFAOYSA-O	2	0	473.602	1.487	1	30		JDEFRP
N#Cc1ccc(NCC(F)(F)c2ccccn2)[n+]([O-])c1C[C@H](O)[NH2+]Cc1ccccc1C[NH3+]	ZINC000028525091	563067462	/nfs/dbraw/zinc/06/74/62/563067462.db2.gz	AXTZANKODNWRAR-QFIPXVFZSA-N	2	0	454.481	1.900	1	30		JDEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC1CCCCC1)C(=O)Cc1ccccc1	ZINC000029399490	563102405	/nfs/dbraw/zinc/10/24/05/563102405.db2.gz	CCCSUHMNNITCAO-VJBWXMMDSA-N	2	0	498.672	1.625	1	30		JDEFRP