smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C[N+]1(C)CCc2c(c(OC)c3c(c2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)OCO3)C1	ZINC000009042727	553202659	/nfs/dbraw/zinc/20/26/59/553202659.db2.gz	ZYVVJDZOGPQQFM-VQHVLOKHSA-N	1	0	514.551	3.022	40	30		KGEBRO
C#CCN(Cc1cc2c(cc1Cl)nc(CN1CC[NH+](C)CC1)n(C)c2=O)c1ccc(C(=O)NCc2cccnc2)cc1	ZINC000022036130	553723282	/nfs/dbraw/zinc/72/32/82/553723282.db2.gz	LWTCFUSGPRGUBX-UHFFFAOYSA-N	1	0	584.124	3.299	40	30		KGEBRO
C=CCN1CC[NH+](CC(C)(C)COC(=O)C2=C(C)NC(C)=C(C(=O)OC)[C@H]2c2cccc([N+](=O)[O-])c2)CC1	ZINC000031291792	553861110	/nfs/dbraw/zinc/86/11/10/553861110.db2.gz	QBTSPDQKRVMTRU-RUZDIDTESA-N	1	0	526.634	3.376	40	30	in-man	KGEBRO
C=CCN1CC[NH+](CC(C)(C)COC(=O)C2=C(C)NC(C)=C(C(=O)OC)[C@@H]2c2cccc([N+](=O)[O-])c2)CC1	ZINC000031291794	553861212	/nfs/dbraw/zinc/86/12/12/553861212.db2.gz	QBTSPDQKRVMTRU-VWLOTQADSA-N	1	0	526.634	3.376	40	30	in-man	KGEBRO
CSC[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1	ZINC000058638412	554364981	/nfs/dbraw/zinc/36/49/81/554364981.db2.gz	UYRQVAFRIYOHSH-SBPNQFBHSA-N	1	0	735.955	3.369	40	30	in-vitro	KGEBRO
O=C(C/N=C(\CN(c1ccccc1)c1ccccc1)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[NH2+]CC1	ZINC000073333659	553653319	/nfs/dbraw/zinc/65/33/19/553653319.db2.gz	DIINZOMFOFSCAM-ZZIIXHQDSA-N	1	0	563.527	3.459	40	30		KGEBRO
C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C(=O)CCCCCCC(=O)[C@H]([C@@H](OC(C)=O)[C@H](C)CC=O)N(C)C)C(C)C	ZINC000077269952	553655780	/nfs/dbraw/zinc/65/57/80/553655780.db2.gz	DIZXHMGPGJSRNA-JBYBJSBYSA-N	1	0	539.758	3.327	40	30	in-vitro	KGEBRO
C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C(=O)CCCCCCC(=O)[C@H]([C@H](OC(C)=O)[C@H](C)CC=O)N(C)C)C(C)C	ZINC000077269960	553655714	/nfs/dbraw/zinc/65/57/14/553655714.db2.gz	DIZXHMGPGJSRNA-PHGATKIXSA-N	1	0	539.758	3.327	40	30	in-vitro	KGEBRO
C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C(=O)CCCCCCC(=O)[C@@H]([C@@H](OC(C)=O)[C@H](C)CC=O)N(C)C)C(C)C	ZINC000077269964	553655829	/nfs/dbraw/zinc/65/58/29/553655829.db2.gz	DIZXHMGPGJSRNA-NVZURLRVSA-N	1	0	539.758	3.327	40	30	in-vitro	KGEBRO
C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C(=O)CCCCCCC(=O)[C@@H]([C@H](OC(C)=O)[C@H](C)CC=O)N(C)C)C(C)C	ZINC000077269968	553655732	/nfs/dbraw/zinc/65/57/32/553655732.db2.gz	DIZXHMGPGJSRNA-OTVAUNOGSA-N	1	0	539.758	3.327	40	30	in-vitro	KGEBRO
CN1c2ccccc2C(C)(C)/C1=C/C=N/NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	ZINC000108906246	571427468	/nfs/dbraw/zinc/42/74/68/571427468.db2.gz	RCBXAQVMNKBGDK-IIYWFPCDSA-N	1	0	584.768	3.128	40	30		KGEBRO
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CCCC(N)=[NH2+])C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118918563	571444778	/nfs/dbraw/zinc/44/47/78/571444778.db2.gz	AJKMRZLROUQYQK-WQXIPQAJSA-N	1	0	540.705	3.450	40	30		KGEBRO
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](CCCC(N)=[NH2+])C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118918564	571444841	/nfs/dbraw/zinc/44/48/41/571444841.db2.gz	AJKMRZLROUQYQK-ASVJHTQUSA-N	1	0	540.705	3.450	40	30		KGEBRO
C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(/C=N/CC[NH+]4CCCCC4)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H](O)[C@H]1O	ZINC000118921682	571446333	/nfs/dbraw/zinc/44/63/33/571446333.db2.gz	BPEFBUCRELMZJR-LZTAWVGSSA-N	1	0	644.850	3.137	40	30		KGEBRO
C[C@@H]1O[C@@H](O[C@@H]2CC[C@]3(/C=N/CC[NH+]4CCCCC4)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H](O)[C@H]1O	ZINC000118921683	571446296	/nfs/dbraw/zinc/44/62/96/571446296.db2.gz	BPEFBUCRELMZJR-OYVFKMLTSA-N	1	0	644.850	3.137	40	30		KGEBRO
C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(/C=N/CC[NH+]4CCCCC4)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H](O)[C@@H]1O	ZINC000118921684	571446276	/nfs/dbraw/zinc/44/62/76/571446276.db2.gz	BPEFBUCRELMZJR-VDGQIUEDSA-N	1	0	644.850	3.137	40	30		KGEBRO
C[C@@H]1O[C@@H](O[C@@H]2CC[C@]3(/C=N/CC[NH+]4CCCCC4)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H](O)[C@@H]1O	ZINC000118921685	571446242	/nfs/dbraw/zinc/44/62/42/571446242.db2.gz	BPEFBUCRELMZJR-PKSCJOPNSA-N	1	0	644.850	3.137	40	30		KGEBRO
CCC(CC)(NC(=O)C(C)C)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)NC1(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CCCC1	ZINC000199099808	571569028	/nfs/dbraw/zinc/56/90/28/571569028.db2.gz	RZKSQRIPRKWVBU-HHHXNRCGSA-N	1	0	669.818	3.469	40	30	in-vitro	KGEBRO
CN(C)c1ccc(N2/C(=N\C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000226451972	572138151	/nfs/dbraw/zinc/13/81/51/572138151.db2.gz	QMYLBPXPSUQCGJ-GOQIDCJHSA-N	1	0	558.726	3.490	40	30		KGEBRO
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N[NH+]=Cc1ccc(N(CC)CC)cc1OC	ZINC000408941817	1059777865	/nfs/dbraw/zinc/77/78/65/1059777865.db2.gz	DCESWILZAPAIJZ-AVMFPXLXSA-N	1	0	569.659	3.062	40	30		KGEBRO
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N[NH+]=Cc1ccc(N(CC)CC)cc1OC	ZINC000408941819	1059037951	/nfs/dbraw/zinc/03/79/51/1059037951.db2.gz	DCESWILZAPAIJZ-PSTCCKRPSA-N	1	0	569.659	3.062	40	30		KGEBRO
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N[NH+]=Cc1ccc(N(CC)CC)cc1OC	ZINC000408941822	1059777990	/nfs/dbraw/zinc/77/79/90/1059777990.db2.gz	DCESWILZAPAIJZ-XQGAZVOYSA-N	1	0	569.659	3.062	40	30		KGEBRO
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N[NH+]=Cc1ccc(N(CC)CC)cc1OC	ZINC000408941831	1059778102	/nfs/dbraw/zinc/77/81/02/1059778102.db2.gz	DCESWILZAPAIJZ-ZXLOOTFSSA-N	1	0	569.659	3.062	40	30		KGEBRO
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N[NH+]=Cc1ccc(N(CC)CC)cc1	ZINC000408958734	1059041920	/nfs/dbraw/zinc/04/19/20/1059041920.db2.gz	WNSIVZKEEQSNQI-FWMHORCBSA-N	1	0	539.633	3.053	40	30		KGEBRO
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N[NH+]=Cc1ccc(N(CC)CC)cc1	ZINC000408958735	1059800029	/nfs/dbraw/zinc/80/00/29/1059800029.db2.gz	WNSIVZKEEQSNQI-HQVXRRDNSA-N	1	0	539.633	3.053	40	30		KGEBRO
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N[NH+]=Cc1ccc(N(CC)CC)cc1	ZINC000408958736	1059799944	/nfs/dbraw/zinc/79/99/44/1059799944.db2.gz	WNSIVZKEEQSNQI-UNUWJANVSA-N	1	0	539.633	3.053	40	30		KGEBRO
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N[NH+]=Cc1ccc(N(CC)CC)cc1	ZINC000408958737	1059800170	/nfs/dbraw/zinc/80/01/70/1059800170.db2.gz	WNSIVZKEEQSNQI-WWOWRYLLSA-N	1	0	539.633	3.053	40	30		KGEBRO
C=C1C[C@@H]2CC[C@]34C[C@@H]5O[C@H]6[C@H](O[C@@H]7CC[C@@H](CC(=O)C[C@@H]8[C@@H](C[C@@H]9O[C@H](CC[C@H]1O2)C[C@H](C)C9=C)O[C@@H](C[C@@H](O)C[NH3+])[C@H]8OC)O[C@H]7[C@H]6O3)[C@@H]5O4	ZINC001529022428	1060035935	/nfs/dbraw/zinc/03/59/35/1060035935.db2.gz	UFNVPOGXISZXJD-PEBUJVPOSA-N	1	0	729.908	3.438	40	30		KGEBRO
C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCC[N@H+]3C)nc3c2CCN(c2cc(O)cc4ccccc42)C3)C[C@@H]1CC#N	ZINC001560403858	1060050102	/nfs/dbraw/zinc/05/01/02/1060050102.db2.gz	YKGVCHZNLOIACZ-ZEQRLZLVSA-N	1	0	567.694	3.488	40	30		KGEBRO
CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2OC(C)=O)[C@@](C)(OC)C[C@@H](C)C(=O)C(C)=C[C@]1(C)O	ZINC001570005716	1060051666	/nfs/dbraw/zinc/05/16/66/1060051666.db2.gz	IUCZZHVKCDIHRC-IBIQUTNCSA-N	1	0	613.789	3.035	40	30		KGEBRO