smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NNc1cccc(C(=O)[O-])c1	ZINC001594376285	999419145	/nfs/dbraw/zinc/41/91/45/999419145.db2.gz	JDRABHMYTFIYCX-MRXNPFEDSA-N	0	1	396.491	3.586	20	50		GHGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](CC2CCCCC2)C(C)C)o1	ZINC000735939444	944722739	/nfs/dbraw/zinc/72/27/39/944722739.db2.gz	PYEHYAGYUZKCNJ-AWEZNQCLSA-N	0	1	389.504	3.664	20	50		GHGDMN
CC(C)(C)[Si](C)(C)OC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001590451843	990015670	/nfs/dbraw/zinc/01/56/70/990015670.db2.gz	UFYOPVQNKKFSBE-QGZVFWFLSA-N	0	1	392.572	3.810	20	50		GHGDMN
CC(C)(C)[Si](C)(C)OC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001590451843	990015679	/nfs/dbraw/zinc/01/56/79/990015679.db2.gz	UFYOPVQNKKFSBE-QGZVFWFLSA-N	0	1	392.572	3.810	20	50		GHGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)o1	ZINC000735924022	944714116	/nfs/dbraw/zinc/71/41/16/944714116.db2.gz	OBFCGHZAPGKMKO-CYBMUJFWSA-N	0	1	397.483	3.738	20	50		GHGDMN
CC(C)(C)[Si](C)(C)OCc1ccc(C[N@@H+]2CCOC[C@@H]2CC(=O)[O-])cc1	ZINC001590451552	990014224	/nfs/dbraw/zinc/01/42/24/990014224.db2.gz	NBASYPIIPBHOOA-SFHVURJKSA-N	0	1	379.573	3.884	20	50		GHGDMN
CC(C)(C)[Si](C)(C)OCc1ccc(C[N@H+]2CCOC[C@@H]2CC(=O)[O-])cc1	ZINC001590451552	990014229	/nfs/dbraw/zinc/01/42/29/990014229.db2.gz	NBASYPIIPBHOOA-SFHVURJKSA-N	0	1	379.573	3.884	20	50		GHGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C=C2CCC(C(C)(C)C)CC2)o1	ZINC000820203430	945378527	/nfs/dbraw/zinc/37/85/27/945378527.db2.gz	UKIVLITUBSAZSF-UHFFFAOYSA-N	0	1	387.488	3.584	20	50		GHGDMN
C[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)[C@@H](C(=O)[O-])c1ccccc1	ZINC000737447617	978409628	/nfs/dbraw/zinc/40/96/28/978409628.db2.gz	BHMCRTGZIUXCAG-JOCHJYFZSA-N	0	1	393.423	3.758	20	50		GHGDMN
CC(C)(C)[Si](C)(C)OC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001590451842	990015420	/nfs/dbraw/zinc/01/54/20/990015420.db2.gz	UFYOPVQNKKFSBE-KRWDZBQOSA-N	0	1	392.572	3.810	20	50		GHGDMN
CC(C)(C)[Si](C)(C)OC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001590451842	990015430	/nfs/dbraw/zinc/01/54/30/990015430.db2.gz	UFYOPVQNKKFSBE-KRWDZBQOSA-N	0	1	392.572	3.810	20	50		GHGDMN
CCC[C@H](CC1CCCCC1)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000736422205	944817065	/nfs/dbraw/zinc/81/70/65/944817065.db2.gz	JEKRCRFYDGJJMB-CQSZACIVSA-N	0	1	389.504	3.808	20	50		GHGDMN
CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001596009305	983269796	/nfs/dbraw/zinc/26/97/96/983269796.db2.gz	VALNPZDVGYMRNO-IAGOWNOFSA-N	0	1	399.466	3.515	20	50		GHGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@H](CC2CCCCC2)C(C)C)o1	ZINC000735939446	944722426	/nfs/dbraw/zinc/72/24/26/944722426.db2.gz	PYEHYAGYUZKCNJ-CQSZACIVSA-N	0	1	389.504	3.664	20	50		GHGDMN
CCC[C@@H](CC1CCCCC1)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000736422202	944818635	/nfs/dbraw/zinc/81/86/35/944818635.db2.gz	JEKRCRFYDGJJMB-AWEZNQCLSA-N	0	1	389.504	3.808	20	50		GHGDMN
CC(C)(C)[Si](C)(C)OC1(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCOCC1	ZINC001588739180	961144549	/nfs/dbraw/zinc/14/45/49/961144549.db2.gz	DMOJNZVJZMNWMO-DLBZAZTESA-N	0	1	383.605	3.600	20	50		GHGDMN
C[C@@H](CBr)C[N@@H+](CCC(=O)[O-])Cc1cccc(Br)c1	ZINC001592212576	977268276	/nfs/dbraw/zinc/26/82/76/977268276.db2.gz	SLJFZTVKPWNTCW-NSHDSACASA-N	0	1	393.119	3.757	20	50		GHGDMN
O=C([O-])c1ccc2c(c1)C[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)C2	ZINC000740203623	978672683	/nfs/dbraw/zinc/67/26/83/978672683.db2.gz	TUKNGBFRSUYWQY-UHFFFAOYSA-N	0	1	391.407	3.715	20	50		GHGDMN
O=C([O-])c1ccc2c(c1)C[N@H+](CCP(=O)(c1ccccc1)c1ccccc1)C2	ZINC000740203623	978672684	/nfs/dbraw/zinc/67/26/84/978672684.db2.gz	TUKNGBFRSUYWQY-UHFFFAOYSA-N	0	1	391.407	3.715	20	50		GHGDMN
C[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)[C@H](C(=O)[O-])c1ccccc1	ZINC000737447618	978409655	/nfs/dbraw/zinc/40/96/55/978409655.db2.gz	BHMCRTGZIUXCAG-QFIPXVFZSA-N	0	1	393.423	3.758	20	50		GHGDMN
C[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccc(C(=O)[O-])cc1	ZINC001598499598	992415150	/nfs/dbraw/zinc/41/51/50/992415150.db2.gz	WKQKNOBKSAYNQM-UHFFFAOYSA-N	0	1	393.423	3.831	20	50		GHGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C/C=C\c2ccc(C(C)C)cc2)o1	ZINC000824347519	608196719	/nfs/dbraw/zinc/19/67/19/608196719.db2.gz	BYOXNHMGFPDRAG-WAYWQWQTSA-N	0	1	395.467	3.648	20	50		GHGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@H](C)c2ccc(C(C)C)cc2)o1	ZINC000735924023	944713132	/nfs/dbraw/zinc/71/31/32/944713132.db2.gz	OBFCGHZAPGKMKO-ZDUSSCGKSA-N	0	1	397.483	3.738	20	50		GHGDMN
CC[C@](C)(C(=O)[O-])[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)CC1CC1	ZINC001594787981	981831752	/nfs/dbraw/zinc/83/17/52/981831752.db2.gz	RCZMQYOAJRIBPQ-HSZRJFAPSA-N	0	1	399.471	3.966	20	50		GHGDMN
CC(C)(C)[Si](C)(C)OCc1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1	ZINC001573462526	958919391	/nfs/dbraw/zinc/91/93/91/958919391.db2.gz	DASRBDAFFLVMMH-RXVVDRJESA-N	0	1	391.584	3.741	20	50		GHGDMN
COC(=O)c1cc(C[N@H+]2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)cc(C(=O)[O-])c1	ZINC001598930649	997746960	/nfs/dbraw/zinc/74/69/60/997746960.db2.gz	CMKSAWBMFLULCG-QGZVFWFLSA-N	0	1	393.556	3.768	20	50		GHGDMN
O=C([O-])CC[C@H]1CCC[N@@H+](CCP(=O)(c2ccccc2)c2ccccc2)C1	ZINC001595019578	951313068	/nfs/dbraw/zinc/31/30/68/951313068.db2.gz	UDTFTJIZZNPMCC-LJQANCHMSA-N	0	1	385.444	3.577	20	50		GHGDMN
CC(C)(C)[Si](C)(C)OCc1ccc(C[N@@H+]2CCOC[C@H]2CC(=O)[O-])cc1	ZINC001590451550	990014304	/nfs/dbraw/zinc/01/43/04/990014304.db2.gz	NBASYPIIPBHOOA-GOSISDBHSA-N	0	1	379.573	3.884	20	50		GHGDMN
CC(C)(C)[Si](C)(C)OCc1ccc(C[N@H+]2CCOC[C@H]2CC(=O)[O-])cc1	ZINC001590451550	990014310	/nfs/dbraw/zinc/01/43/10/990014310.db2.gz	NBASYPIIPBHOOA-GOSISDBHSA-N	0	1	379.573	3.884	20	50		GHGDMN
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NNc1cccc(C(=O)[O-])c1	ZINC001594376284	999419260	/nfs/dbraw/zinc/41/92/60/999419260.db2.gz	JDRABHMYTFIYCX-INIZCTEOSA-N	0	1	396.491	3.586	20	50		GHGDMN
CC[N@@H+](Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1)C(C)C	ZINC000737106541	978379600	/nfs/dbraw/zinc/37/96/00/978379600.db2.gz	QLKGFQHEYGVITQ-UHFFFAOYSA-N	0	1	386.404	3.743	20	50		GHGDMN
C[N@@H+](Cc1ccccc1NC(=O)NNc1ncccc1C(=O)[O-])C1CCCCC1	ZINC001593760554	954483327	/nfs/dbraw/zinc/48/33/27/954483327.db2.gz	CHQDQZNJSZMKTQ-UHFFFAOYSA-N	0	1	397.479	3.693	20	50		GHGDMN
CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NNc1ccccc1C(=O)[O-]	ZINC001591441884	992539524	/nfs/dbraw/zinc/53/95/24/992539524.db2.gz	WNMMCQZPCBCTII-UYAOXDASSA-N	0	1	395.503	3.622	20	50		GHGDMN
CCCCCC[C@](C)(CC)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000821048945	945625278	/nfs/dbraw/zinc/62/52/78/945625278.db2.gz	GYUFGKCAXVZOQJ-SFHVURJKSA-N	0	1	377.493	3.808	20	50		GHGDMN
CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CCP(=O)(c2ccccc2)c2ccccc2)C1	ZINC000833421539	604943753	/nfs/dbraw/zinc/94/37/53/604943753.db2.gz	QZVACSGJVBPFCR-IBGZPJMESA-N	0	1	399.471	3.823	20	50		GHGDMN
O=C([O-])CC[C@@H]1CCC[N@@H+](CCP(=O)(c2ccccc2)c2ccccc2)C1	ZINC001595019577	951313390	/nfs/dbraw/zinc/31/33/90/951313390.db2.gz	UDTFTJIZZNPMCC-IBGZPJMESA-N	0	1	385.444	3.577	20	50		GHGDMN
CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CCP(=O)(c2ccccc2)c2ccccc2)C1	ZINC000833421540	604943801	/nfs/dbraw/zinc/94/38/01/604943801.db2.gz	QZVACSGJVBPFCR-LJQANCHMSA-N	0	1	399.471	3.823	20	50		GHGDMN
O=C([O-])CC[C@H]1CCCC[N@H+]1CCP(=O)(c1ccccc1)c1ccccc1	ZINC001595012356	951258504	/nfs/dbraw/zinc/25/85/04/951258504.db2.gz	BRXBFGSETMCVJW-LJQANCHMSA-N	0	1	385.444	3.720	20	50		GHGDMN
O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(OCCCCl)cc2)C1	ZINC001331934617	961418683	/nfs/dbraw/zinc/41/86/83/961418683.db2.gz	STXHCNPFQRHEEC-KGLIPLIRSA-N	0	1	379.806	3.779	20	50		GHGDMN
CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NNc1ccc(C)c(C(=O)[O-])c1	ZINC001596008894	983269213	/nfs/dbraw/zinc/26/92/13/983269213.db2.gz	RZFOCWVSBKAWBZ-WIYYLYMNSA-N	0	1	395.503	3.685	20	50		GHGDMN
CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001596009336	983269863	/nfs/dbraw/zinc/26/98/63/983269863.db2.gz	WEXFGBMEXGTXTM-SJLPKXTDSA-N	0	1	399.466	3.515	20	50		GHGDMN
CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001596008818	983268648	/nfs/dbraw/zinc/26/86/48/983268648.db2.gz	MOAXHYYJWVDAFL-VQIMIIECSA-N	0	1	399.466	3.515	20	50		GHGDMN
C[C@H](CBr)C[N@@H+](CCC(=O)[O-])Cc1cccc(Br)c1	ZINC001592212572	977268334	/nfs/dbraw/zinc/26/83/34/977268334.db2.gz	SLJFZTVKPWNTCW-LLVKDONJSA-N	0	1	393.119	3.757	20	50		GHGDMN
O=C([O-])CC[C@@H]1CCCC[N@H+]1CCP(=O)(c1ccccc1)c1ccccc1	ZINC001595012355	951257683	/nfs/dbraw/zinc/25/76/83/951257683.db2.gz	BRXBFGSETMCVJW-IBGZPJMESA-N	0	1	385.444	3.720	20	50		GHGDMN
CC[C@@](C)(C(=O)[O-])[N@@H+](CCP(=O)(c1ccccc1)c1ccccc1)CC1CC1	ZINC001594787983	981832133	/nfs/dbraw/zinc/83/21/33/981832133.db2.gz	RCZMQYOAJRIBPQ-QHCPKHFHSA-N	0	1	399.471	3.966	20	50		GHGDMN
CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001596009385	983270941	/nfs/dbraw/zinc/27/09/41/983270941.db2.gz	ZEGJZPOZHXYVLN-UYAOXDASSA-N	0	1	395.503	3.685	20	50		GHGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C/C=C/c2ccc(C(C)C)cc2)o1	ZINC000824347518	608196257	/nfs/dbraw/zinc/19/62/57/608196257.db2.gz	BYOXNHMGFPDRAG-AATRIKPKSA-N	0	1	395.467	3.648	20	50		GHGDMN
Cc1oc(C[N@@H+](C)CCP(=O)(c2ccccc2)c2ccccc2)cc1C(=O)[O-]	ZINC000738967486	978611037	/nfs/dbraw/zinc/61/10/37/978611037.db2.gz	UTZGHELQAUYFRM-UHFFFAOYSA-N	0	1	397.411	3.732	20	50		GHGDMN
COC(=O)c1cc(C[N@H+]2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)cc(C(=O)[O-])c1	ZINC001598930647	997746988	/nfs/dbraw/zinc/74/69/88/997746988.db2.gz	CMKSAWBMFLULCG-KRWDZBQOSA-N	0	1	393.556	3.768	20	50		GHGDMN
C=C(CBr)C[N@H+](CCC(=O)[O-])Cc1cccc(Br)c1	ZINC001588605452	983692793	/nfs/dbraw/zinc/69/27/93/983692793.db2.gz	ICKQPIJYTZQJFT-UHFFFAOYSA-N	0	1	391.103	3.677	20	50		GHGDMN
CCCCCC[C@@](C)(CC)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000821048944	945625604	/nfs/dbraw/zinc/62/56/04/945625604.db2.gz	GYUFGKCAXVZOQJ-GOSISDBHSA-N	0	1	377.493	3.808	20	50		GHGDMN
COC(=O)CC[N@@H+](CC(=O)[O-])Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	ZINC001593841834	955373797	/nfs/dbraw/zinc/37/37/97/955373797.db2.gz	NCYGXSGFYIOBSA-UHFFFAOYSA-N	0	1	395.572	3.658	20	50		GHGDMN