smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=C(NC(N)=[NH2+])Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5	ZINC000013809253	561731746	/nfs/dbraw/zinc/73/17/46/561731746.db2.gz	KAQDWUGWKGESIN-NYTHPKCISA-N	1	3	513.602	2.002	1	30		KEEFHO
CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1)C1CCCCC1	ZINC000014954485	561747019	/nfs/dbraw/zinc/74/70/19/561747019.db2.gz	JRTPYDSQVTWARE-JAXLGGSGSA-N	1	3	541.722	2.177	1	30		KEEFHO
CN[C@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000014954523	561747034	/nfs/dbraw/zinc/74/70/34/561747034.db2.gz	WRJTZUWGNKJTID-ZRBLBEILSA-N	1	3	563.728	2.229	1	30		KEEFHO
CN[C@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000014954527	561746938	/nfs/dbraw/zinc/74/69/38/561746938.db2.gz	WRJTZUWGNKJTID-ZLNRFVROSA-N	1	3	563.728	2.229	1	30		KEEFHO
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000014954532	561747015	/nfs/dbraw/zinc/74/70/15/561747015.db2.gz	QIVIRMCXSHIRPU-BXOOBUKZSA-N	1	3	563.728	2.229	1	30		KEEFHO
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1	ZINC000014954536	561747011	/nfs/dbraw/zinc/74/70/11/561747011.db2.gz	SJBXZIMBOVUXRR-VJBWXMMDSA-N	1	3	563.728	2.181	1	30		KEEFHO
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])Cc1nc2ccccc2s1	ZINC000014954587	561747152	/nfs/dbraw/zinc/74/71/52/561747152.db2.gz	WQCJFMKHZOFRAR-WWNPGLIZSA-N	1	3	535.718	2.199	1	30		KEEFHO
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])Cc1nc2ccccc2s1	ZINC000014954591	561747156	/nfs/dbraw/zinc/74/71/56/561747156.db2.gz	WQCJFMKHZOFRAR-MZYLBHOOSA-N	1	3	535.718	2.199	1	30		KEEFHO
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1cc2ccccc2s1	ZINC000028116747	561903800	/nfs/dbraw/zinc/90/38/00/561903800.db2.gz	KVEKZKVOVRZPMP-ZLNRFVROSA-N	1	3	548.713	2.444	1	30		KEEFHO
CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1)C1CCCCC1	ZINC000028116818	561903906	/nfs/dbraw/zinc/90/39/06/561903906.db2.gz	JRTPYDSQVTWARE-RZUBCFFCSA-N	1	3	541.722	2.177	1	30		KEEFHO
CNCC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc2ccccc2)co1	ZINC000029400491	562019573	/nfs/dbraw/zinc/01/95/73/562019573.db2.gz	NPCYUZXNBFVHBO-DTXPUJKBSA-N	1	3	719.863	2.357	1	30		KEEFHO
NCC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc2ccccc2)co1	ZINC000029400643	562019639	/nfs/dbraw/zinc/01/96/39/562019639.db2.gz	KZCXPKAOJWFJAB-AWCRTANDSA-N	1	3	705.836	2.096	1	30		KEEFHO
CNCC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc2ccccc2)cs1	ZINC000029400900	562019748	/nfs/dbraw/zinc/01/97/48/562019748.db2.gz	YCCYUFYUCTYKFB-DTXPUJKBSA-N	1	3	729.883	2.098	1	30		KEEFHO
COc1cc(/C=C2\CN(C(=O)CCC(=O)NCCC[NH2+]CCCN)C/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O	ZINC000064539577	562707584	/nfs/dbraw/zinc/70/75/84/562707584.db2.gz	HYEASIMVWUTRQL-DFEHQXHXSA-N	1	3	580.682	2.218	1	30		KEEFHO
CNCOc1c2cc3c4c1O[C@H](O)[C@H](C4)[C@H](CNC(=[NH2+])NCC(C)C)CC#C[C@@H](C3)[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2	ZINC000085626420	565160113	/nfs/dbraw/zinc/16/01/13/565160113.db2.gz	PJKZUARUCUJSMP-JHDCIELPSA-N	1	3	672.823	2.429	1	30	biogenic,in-vitro	KEEFHO
CNCOc1c2cc(c3c1OC[C@@H](C[C@H]1CC[NH+]=C(N)N1)C3)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2	ZINC000085626558	291742268	/nfs/dbraw/zinc/74/22/68/291742268.db2.gz	QBTOOCQJPOIJRZ-HQCZVFHSSA-N	1	3	590.721	2.367	1	30	biogenic,in-vitro	KEEFHO
COc1cc(C[C@H]2CC#C[C@]3(CC[C@H](O)C[C@@H]2OC(C)=O)CCN2C[C@H]4C[C@@H](C2)CN(C4)C[NH+]=C(N)NC3)ccc1O	ZINC000085628220	560068732	/nfs/dbraw/zinc/06/87/32/560068732.db2.gz	IOLVBAGNZBINHB-LKNNUPOISA-N	1	3	581.758	2.145	1	30	biogenic,in-vitro	KEEFHO
CC[C@@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N(CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)Cc2ccccc2)cs1	ZINC000095543568	562757368	/nfs/dbraw/zinc/75/73/68/562757368.db2.gz	VFZAWGZAEVCXFB-OQJLRFEOSA-N	1	3	829.016	2.449	1	30		KEEFHO
CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cs1	ZINC000095609748	562783972	/nfs/dbraw/zinc/78/39/72/562783972.db2.gz	LQJFCDFVAFXCDU-JOBLXHLTSA-N	1	3	821.037	2.486	1	30		KEEFHO
CC(C)[C@@H](N)C(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cs1	ZINC000095609749	562783974	/nfs/dbraw/zinc/78/39/74/562783974.db2.gz	LQJFCDFVAFXCDU-DLRNAMLRSA-N	1	3	821.037	2.486	1	30		KEEFHO
CNCC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cs1	ZINC000095615352	562787258	/nfs/dbraw/zinc/78/72/58/562787258.db2.gz	ZRRPYKKIKYRIIG-YDPTYEFTSA-N	1	3	807.010	2.112	1	30		KEEFHO
CNCC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC2CCCCC2)C(N)=O)cs1	ZINC000095615358	562787261	/nfs/dbraw/zinc/78/72/61/562787261.db2.gz	HIRCQENIESEJLL-ORYMTKCHSA-N	1	3	799.031	2.449	1	30		KEEFHO
C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(NC(=N)NC(=N)N)cc4)cc3)cc2)c1	ZINC000146333330	562838440	/nfs/dbraw/zinc/83/84/40/562838440.db2.gz	FODKHIZBLGBWBA-UHFFFAOYSA-O	1	3	550.603	2.488	1	30		KEEFHO