smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nnc([C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc2)[nH]1	ZINC000162644556	843291802	/nfs/dbraw/zinc/29/18/02/843291802.db2.gz	OJBHFKBJQPECME-VFNWGFHPSA-N	1	2	395.482	3.529	10	10		GHCELO
Cc1cc(C(=O)C[NH+]2CCC(N3CCCC3=O)CC2)c(C)n1-c1ccc(F)cc1	ZINC000104729052	874692096	/nfs/dbraw/zinc/69/20/96/874692096.db2.gz	KTPPEHORNVLMCW-UHFFFAOYSA-N	1	2	397.494	3.503	10	10		GHCELO
CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1	ZINC000190160305	908443068	/nfs/dbraw/zinc/44/30/68/908443068.db2.gz	YVOANXWEODGIPY-VQTJNVASSA-N	1	2	395.459	3.625	10	10		GHCELO
CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1	ZINC000190160305	908443078	/nfs/dbraw/zinc/44/30/78/908443078.db2.gz	YVOANXWEODGIPY-VQTJNVASSA-N	1	2	395.459	3.625	10	10		GHCELO
Cc1nnc([C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc2)[nH]1	ZINC000162644135	843291568	/nfs/dbraw/zinc/29/15/68/843291568.db2.gz	OJBHFKBJQPECME-YCRPNKLZSA-N	1	2	395.482	3.529	10	10		GHCELO
Cc1nnc([C@H]([NH2+][C@H](C)c2ccc(N3CCC(O)CC3)cc2)c2ccccc2)[nH]1	ZINC000162474480	843258494	/nfs/dbraw/zinc/25/84/94/843258494.db2.gz	AFQXYRBOCNVLIB-OPAMFIHVSA-N	1	2	391.519	3.514	10	10		GHCELO
Cc1nnc([C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc2)[nH]1	ZINC000162644416	843291635	/nfs/dbraw/zinc/29/16/35/843291635.db2.gz	OJBHFKBJQPECME-QVKFZJNVSA-N	1	2	395.482	3.529	10	10		GHCELO
C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	ZINC000588405489	840995777	/nfs/dbraw/zinc/99/57/77/840995777.db2.gz	YADPSYSLLIWZEL-VIHMKRCTSA-N	1	2	386.879	3.670	10	10		GHCELO
CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1	ZINC000190160337	884049091	/nfs/dbraw/zinc/04/90/91/884049091.db2.gz	YVOANXWEODGIPY-WOJBJXKFSA-N	1	2	395.459	3.625	10	10		GHCELO
CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1	ZINC000190160337	884049102	/nfs/dbraw/zinc/04/91/02/884049102.db2.gz	YVOANXWEODGIPY-WOJBJXKFSA-N	1	2	395.459	3.625	10	10		GHCELO
Cc1ccsc1/C=C1\SC(N2CC[NH+](Cc3ccccc3)CC2)=NC1=O	ZINC000008569689	209134591	/nfs/dbraw/zinc/13/45/91/209134591.db2.gz	OPLXTGJHBPVMKV-AQTBWJFISA-N	1	2	383.542	3.845	10	10		GHCELO
Cc1nnc([C@H]([NH2+][C@@H](C)c2ccc(N3CCC(O)CC3)cc2)c2ccccc2)[nH]1	ZINC000162474210	843259106	/nfs/dbraw/zinc/25/91/06/843259106.db2.gz	AFQXYRBOCNVLIB-KSFYIVLOSA-N	1	2	391.519	3.514	10	10		GHCELO
CCOC(=O)c1c(C)oc2c1c(CN1CC[NH+](C)CC1)c(O)c1ccccc21	ZINC000022585529	207257190	/nfs/dbraw/zinc/25/71/90/207257190.db2.gz	YTZYXCPUTUKJMF-UHFFFAOYSA-N	1	2	382.460	3.524	10	10		GHCELO
Nc1ccc(NC(=O)[C@@H]2CN(c3ccccc3)CC[N@@H+]2Cc2ccccc2)cc1	ZINC000148566199	136193043	/nfs/dbraw/zinc/19/30/43/136193043.db2.gz	QRSCKBDDSSPKDI-QHCPKHFHSA-N	1	2	386.499	3.598	10	10		GHCELO
Nc1ccc(NC(=O)[C@@H]2CN(c3ccccc3)CC[N@H+]2Cc2ccccc2)cc1	ZINC000148566199	136193044	/nfs/dbraw/zinc/19/30/44/136193044.db2.gz	QRSCKBDDSSPKDI-QHCPKHFHSA-N	1	2	386.499	3.598	10	10		GHCELO
Cc1nnc([C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc2)[nH]1	ZINC000162644282	843292057	/nfs/dbraw/zinc/29/20/57/843292057.db2.gz	OJBHFKBJQPECME-BTYIYWSLSA-N	1	2	395.482	3.529	10	10		GHCELO
Cc1nnc([C@@H]([NH2+][C@H](C)c2ccc(N3CCC(O)CC3)cc2)c2ccccc2)[nH]1	ZINC000162474601	843259217	/nfs/dbraw/zinc/25/92/17/843259217.db2.gz	AFQXYRBOCNVLIB-ZHRRBRCNSA-N	1	2	391.519	3.514	10	10		GHCELO
C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	ZINC000588405488	840995200	/nfs/dbraw/zinc/99/52/00/840995200.db2.gz	YADPSYSLLIWZEL-SOIVGHGOSA-N	1	2	386.879	3.670	10	10		GHCELO
CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1	ZINC000190160288	884049297	/nfs/dbraw/zinc/04/92/97/884049297.db2.gz	YVOANXWEODGIPY-PMACEKPBSA-N	1	2	395.459	3.625	10	10		GHCELO
CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1	ZINC000190160288	884049314	/nfs/dbraw/zinc/04/93/14/884049314.db2.gz	YVOANXWEODGIPY-PMACEKPBSA-N	1	2	395.459	3.625	10	10		GHCELO
Cc1cc(C(=O)C[NH+]2CCC(c3nc(C)no3)CC2)c(C)n1-c1ccc(F)cc1	ZINC000103469429	872027278	/nfs/dbraw/zinc/02/72/78/872027278.db2.gz	OOUMREYWGGKWNN-UHFFFAOYSA-N	1	2	396.466	3.987	10	10		GHCELO
Cc1nnc([C@@H]([NH2+][C@@H](C)c2ccc(N3CCC(O)CC3)cc2)c2ccccc2)[nH]1	ZINC000162474342	843258968	/nfs/dbraw/zinc/25/89/68/843258968.db2.gz	AFQXYRBOCNVLIB-AOMKIAJQSA-N	1	2	391.519	3.514	10	10		GHCELO
CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1	ZINC000190160322	884049997	/nfs/dbraw/zinc/04/99/97/884049997.db2.gz	YVOANXWEODGIPY-UXHICEINSA-N	1	2	395.459	3.625	10	10		GHCELO
CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1	ZINC000190160322	884050007	/nfs/dbraw/zinc/05/00/07/884050007.db2.gz	YVOANXWEODGIPY-UXHICEINSA-N	1	2	395.459	3.625	10	10		GHCELO