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](C=O)NC(=O)CN(CCc1ccccc1)C(=O)[C@H]1CCCC[NH2+]1	ZINC000003807370	562938430	/nfs/dbraw/zinc/93/84/30/562938430.db2.gz	SUVFWJSLUFIAND-RBUKOAKNSA-N	2	0	430.553	0.147	1	30		ICEFRP
C[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@](C)(C=O)CCCNC(N)=[NH2+]	ZINC000003823930	562938916	/nfs/dbraw/zinc/93/89/16/562938916.db2.gz	CVOKUEIRLXMZAG-SPEDKVCISA-N	2	0	430.553	0.145	1	30		ICEFRP
CC(=O)N[C@@H](CC(C)C)C(=O)NC(=O)[C@H](CC(C)C)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000014949095	560227577	/nfs/dbraw/zinc/22/75/77/560227577.db2.gz	JEQVYCMCKPVWJE-ULQDDVLXSA-N	2	0	426.562	0.015	1	30	in-vitro	ICEFRP
CC(=O)N[C@@H](CC(C)C)C(=O)NC(=O)[C@H](CC(C)C)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000014949098	560227563	/nfs/dbraw/zinc/22/75/63/560227563.db2.gz	JEQVYCMCKPVWJE-IKGGRYGDSA-N	2	0	426.562	0.015	1	30	in-vitro	ICEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)CN(CCCc1ccccc1)C(=O)[C@H]1CCCC[NH2+]1	ZINC000026570982	563033347	/nfs/dbraw/zinc/03/33/47/563033347.db2.gz	WYULDZBZITVKLJ-VQTJNVASSA-N	2	0	444.580	0.537	1	30		ICEFRP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)CN(CCC1CCCCC1)C(=O)[C@H]1CCCC[NH2+]1	ZINC000026572256	563033376	/nfs/dbraw/zinc/03/33/76/563033376.db2.gz	NBTJCEXVPXPFNU-RBUKOAKNSA-N	2	0	436.601	0.874	1	30		ICEFRP
NC(=[NH2+])NCCCCCCNC(=O)[C@H](C(=O)NCCCC[NH2+]CCC[NH3+])c1ccccc1	ZINC000026734446	563036077	/nfs/dbraw/zinc/03/60/77/563036077.db2.gz	ZBBNLKJDWXDHLY-HXUWFJFHSA-N	3	0	447.628	0.555	1	30		ICEFRP
NC(=[NH2+])NCCCCCCNC(=O)[C@@H](C(=O)NCCCC[NH2+]CCC[NH3+])c1ccccc1	ZINC000026734449	563036015	/nfs/dbraw/zinc/03/60/15/563036015.db2.gz	ZBBNLKJDWXDHLY-FQEVSTJZSA-N	3	0	447.628	0.555	1	30		ICEFRP
C[N+]1(CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C[N+]2(C)CCCCC2)CCOCC1	ZINC000027526676	563043376	/nfs/dbraw/zinc/04/33/76/563043376.db2.gz	DEGILWRPUSVCNZ-JOCHJYFZSA-P	2	0	432.609	0.937	1	30		ICEFRP
C[N+]1(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)C[N+]2(C)CCCCC2)CCOCC1	ZINC000027526679	563043379	/nfs/dbraw/zinc/04/33/79/563043379.db2.gz	DEGILWRPUSVCNZ-QFIPXVFZSA-P	2	0	432.609	0.937	1	30		ICEFRP
C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028246862	563052271	/nfs/dbraw/zinc/05/22/71/563052271.db2.gz	QBPBMRWURGJSSO-WTGUMLROSA-N	2	0	444.580	0.229	1	30		ICEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028246872	563052254	/nfs/dbraw/zinc/05/22/54/563052254.db2.gz	QBPBMRWURGJSSO-UAFMIMERSA-N	2	0	444.580	0.229	1	30		ICEFRP
C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028247130	563052208	/nfs/dbraw/zinc/05/22/08/563052208.db2.gz	QBPBMRWURGJSSO-ZRNYENFQSA-N	2	0	444.580	0.229	1	30		ICEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028247137	563052205	/nfs/dbraw/zinc/05/22/05/563052205.db2.gz	QBPBMRWURGJSSO-YSTOQKLRSA-N	2	0	444.580	0.229	1	30		ICEFRP
C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028254512	563052335	/nfs/dbraw/zinc/05/23/35/563052335.db2.gz	QBPBMRWURGJSSO-WCIQWLHISA-N	2	0	444.580	0.229	1	30		ICEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028254516	563052359	/nfs/dbraw/zinc/05/23/59/563052359.db2.gz	QBPBMRWURGJSSO-IYWMVGAKSA-N	2	0	444.580	0.229	1	30		ICEFRP
C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028254649	563052344	/nfs/dbraw/zinc/05/23/44/563052344.db2.gz	QBPBMRWURGJSSO-FYQPLNBISA-N	2	0	444.580	0.229	1	30		ICEFRP
C[NH2+][C@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028254654	563052382	/nfs/dbraw/zinc/05/23/82/563052382.db2.gz	QBPBMRWURGJSSO-FUMNGEBKSA-N	2	0	444.580	0.229	1	30		ICEFRP
C[NH2+][C@@H](C(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+])c1ccccc1	ZINC000028254706	563052385	/nfs/dbraw/zinc/05/23/85/563052385.db2.gz	YFZGQCIWHNOINC-AKHDSKFASA-N	2	0	430.553	0.359	1	30		ICEFRP
C[NH2+][C@H](C(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+])c1ccccc1	ZINC000028254714	563052380	/nfs/dbraw/zinc/05/23/80/563052380.db2.gz	YFZGQCIWHNOINC-YRXWBPOGSA-N	2	0	430.553	0.359	1	30		ICEFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1	ZINC000028456462	563054779	/nfs/dbraw/zinc/05/47/79/563054779.db2.gz	NKBVOZQEYMOZNC-FPOVZHCZSA-N	2	0	449.559	0.893	1	30		ICEFRP
O=C(CCCCC(=O)NCCC[NH2+]CCC[NH2+]CCCNCCC[NH2+]CC1CC1)NO	ZINC000028526358	563056937	/nfs/dbraw/zinc/05/69/37/563056937.db2.gz	MVCCTKCHRXVZJM-UHFFFAOYSA-N	3	0	442.649	0.497	1	30		ICEFRP
C[N+](C)(CCNC(=O)CNC(=O)CNC(=O)C[N+]1(C)CCCCC1)Cc1ccccc1	ZINC000040498349	563104195	/nfs/dbraw/zinc/10/41/95/563104195.db2.gz	LZKXPYWSXJKWGV-UHFFFAOYSA-P	2	0	433.597	0.242	1	30		ICEFRP
[NH3+]CCCCNC(=O)C[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@H](c3ccccc3)C2)[C@@H](C(=O)NO)C1	ZINC000045259466	563127555	/nfs/dbraw/zinc/12/75/55/563127555.db2.gz	QQKFJAPYPOIWRW-RBAQFSTRSA-N	2	0	445.564	0.347	1	30		ICEFRP
[NH3+]CCCCNC(=O)C[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@H](c3ccccc3)C2)[C@@H](C(=O)NO)C1	ZINC000045259469	563127587	/nfs/dbraw/zinc/12/75/87/563127587.db2.gz	QQKFJAPYPOIWRW-SAJDGTNDSA-N	2	0	445.564	0.347	1	30		ICEFRP
[NH3+]CCCCNC(=O)C[C@H]1C[NH2+][C@H](C(=O)N2CC[C@@H](c3ccccc3)C2)[C@@H](C(=O)NO)C1	ZINC000045259473	563127585	/nfs/dbraw/zinc/12/75/85/563127585.db2.gz	QQKFJAPYPOIWRW-KRQVXIAISA-N	2	0	445.564	0.347	1	30		ICEFRP
[NH3+]CCCCNC(=O)C[C@H]1C[NH2+][C@H](C(=O)N2CC[C@H](c3ccccc3)C2)[C@@H](C(=O)NO)C1	ZINC000045259476	563127590	/nfs/dbraw/zinc/12/75/90/563127590.db2.gz	QQKFJAPYPOIWRW-WBKMXMRLSA-N	2	0	445.564	0.347	1	30		ICEFRP