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](C[NH3+])NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911298738	650167774	/nfs/dbraw/zinc/16/77/74/650167774.db2.gz	VVPNNYLYQSABIP-IUODEOHRSA-N	1	3	335.452	-0.065	20	10		EBCDHO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCC[NH3+])N(C)C)cc1	ZINC000911267239	650164409	/nfs/dbraw/zinc/16/44/09/650164409.db2.gz	MPTMTGGJHYRUEZ-OAHLLOKOSA-N	1	3	335.452	-0.064	20	10		EBCDHO
C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911280768	650165973	/nfs/dbraw/zinc/16/59/73/650165973.db2.gz	LJDNBOVANQPDPS-DOMZBBRYSA-N	1	3	335.452	-0.065	20	10		EBCDHO
[NH3+][C@H](CC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)c1ccccc1[O-]	ZINC001158119482	831629922	/nfs/dbraw/zinc/62/99/22/831629922.db2.gz	HMANHSRWQIVZPV-FZKQIMNGSA-N	1	3	344.415	-0.280	20	10		EBCDHO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC2C[NH2+]C2)N(C)C)cc1	ZINC000911286957	650166696	/nfs/dbraw/zinc/16/66/96/650166696.db2.gz	AZJLTFQKDKYFBU-MRXNPFEDSA-N	1	3	347.463	-0.193	20	10		EBCDHO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)N(C)CC[NH3+])N(C)C)cc1	ZINC000911579056	650194637	/nfs/dbraw/zinc/19/46/37/650194637.db2.gz	PDVUJHPVGUKRRR-OAHLLOKOSA-N	1	3	335.452	-0.111	20	10		EBCDHO
COC(=O)[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CCN1	ZINC001235445533	812488026	/nfs/dbraw/zinc/48/80/26/812488026.db2.gz	PPHFKRFFOQLRJW-OAHLLOKOSA-N	1	3	334.420	-0.251	20	10		EBCDHO
COC(=O)[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CCN1	ZINC001235445527	812488573	/nfs/dbraw/zinc/48/85/73/812488573.db2.gz	PPHFKRFFOQLRJW-HNNXBMFYSA-N	1	3	334.420	-0.251	20	10		EBCDHO
C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911298739	650167748	/nfs/dbraw/zinc/16/77/48/650167748.db2.gz	VVPNNYLYQSABIP-SWLSCSKDSA-N	1	3	335.452	-0.065	20	10		EBCDHO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)N(C)C)cc1	ZINC000911272693	650165385	/nfs/dbraw/zinc/16/53/85/650165385.db2.gz	FAJQBJGBVOTFFJ-GOEBONIOSA-N	1	3	347.463	-0.050	20	10		EBCDHO
CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1	ZINC000843297716	584075400	/nfs/dbraw/zinc/07/54/00/584075400.db2.gz	JWLOHGWPVZVVKK-ZBFHGGJFSA-N	1	3	335.452	-0.032	20	10		EBCDHO
C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911280772	650165753	/nfs/dbraw/zinc/16/57/53/650165753.db2.gz	LJDNBOVANQPDPS-SWLSCSKDSA-N	1	3	335.452	-0.065	20	10		EBCDHO
COC(=O)[C@@H]1CNCCN1Cc1ccc(N2CC[NH2+]CC2)cc1O	ZINC001222420859	811628072	/nfs/dbraw/zinc/62/80/72/811628072.db2.gz	HRJXTCOBOZQJIK-HNNXBMFYSA-N	1	3	334.420	-0.251	20	10		EBCDHO
CN(C)c1ccc([C@@H](N)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1	ZINC000832273228	583997197	/nfs/dbraw/zinc/99/71/97/583997197.db2.gz	MDJVLJIYUCRFPF-GJZGRUSLSA-N	1	3	333.436	-0.263	20	10		EBCDHO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)N(C)C)cc1	ZINC000911272692	650165253	/nfs/dbraw/zinc/16/52/53/650165253.db2.gz	FAJQBJGBVOTFFJ-GDBMZVCRSA-N	1	3	347.463	-0.050	20	10		EBCDHO
CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2C[NH2+]C2)N(C)C)cc1	ZINC000911288703	650166754	/nfs/dbraw/zinc/16/67/54/650166754.db2.gz	UIULSJCJMYPMFX-HNNXBMFYSA-N	1	3	333.436	-0.441	20	10		EBCDHO
O=C1NCCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C12CNC2	ZINC001235071848	812469531	/nfs/dbraw/zinc/46/95/31/812469531.db2.gz	YPVLIVRJQZZKEY-UHFFFAOYSA-N	1	3	331.420	-0.924	20	10		EBCDHO
CN(C)c1ccc([C@@H](N)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1	ZINC000832273231	583997151	/nfs/dbraw/zinc/99/71/51/583997151.db2.gz	MDJVLJIYUCRFPF-LSDHHAIUSA-N	1	3	333.436	-0.263	20	10		EBCDHO
C[NH2+]CCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911281659	650166302	/nfs/dbraw/zinc/16/63/02/650166302.db2.gz	IBQRJPSCHNAPHM-HNNXBMFYSA-N	1	3	335.452	-0.193	20	10		EBCDHO
C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911280770	650165911	/nfs/dbraw/zinc/16/59/11/650165911.db2.gz	LJDNBOVANQPDPS-IUODEOHRSA-N	1	3	335.452	-0.065	20	10		EBCDHO
C[NH2+]CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911281660	650166534	/nfs/dbraw/zinc/16/65/34/650166534.db2.gz	IBQRJPSCHNAPHM-OAHLLOKOSA-N	1	3	335.452	-0.193	20	10		EBCDHO
CN(C)c1ccc([C@H](N)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1	ZINC000832273225	583997134	/nfs/dbraw/zinc/99/71/34/583997134.db2.gz	MDJVLJIYUCRFPF-CABCVRRESA-N	1	3	333.436	-0.263	20	10		EBCDHO
COc1ccc(N2CCN(CCCNC(=O)[C@@H](N)CC[NH3+])CC2)cc1	ZINC001219963375	810927857	/nfs/dbraw/zinc/92/78/57/810927857.db2.gz	VTBWUTOZHWLOPS-KRWDZBQOSA-N	1	3	349.479	0.000	20	10		EBCDHO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)N(C)C)cc1	ZINC000911288709	650166712	/nfs/dbraw/zinc/16/67/12/650166712.db2.gz	UIULSJCJMYPMFX-OAHLLOKOSA-N	1	3	333.436	-0.441	20	10		EBCDHO
CN(C)c1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)N(C)C)cc1	ZINC000911272695	650165482	/nfs/dbraw/zinc/16/54/82/650165482.db2.gz	FAJQBJGBVOTFFJ-ZBFHGGJFSA-N	1	3	347.463	-0.050	20	10		EBCDHO
CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)N2CCNCC2)cc1	ZINC000923632582	650349946	/nfs/dbraw/zinc/34/99/46/650349946.db2.gz	BBKROPRKLVYMGR-CQSZACIVSA-N	1	3	327.454	-0.508	20	10		EBCDHO
C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911298737	650167643	/nfs/dbraw/zinc/16/76/43/650167643.db2.gz	VVPNNYLYQSABIP-DOMZBBRYSA-N	1	3	335.452	-0.065	20	10		EBCDHO
COC(=O)[C@H]1CNCCN1Cc1ccc(N2CC[NH2+]CC2)cc1O	ZINC001222420862	811627647	/nfs/dbraw/zinc/62/76/47/811627647.db2.gz	HRJXTCOBOZQJIK-OAHLLOKOSA-N	1	3	334.420	-0.251	20	10		EBCDHO
CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1	ZINC000843297715	584075351	/nfs/dbraw/zinc/07/53/51/584075351.db2.gz	JWLOHGWPVZVVKK-HOCLYGCPSA-N	1	3	335.452	-0.032	20	10		EBCDHO
C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911280774	650165872	/nfs/dbraw/zinc/16/58/72/650165872.db2.gz	LJDNBOVANQPDPS-WFASDCNBSA-N	1	3	335.452	-0.065	20	10		EBCDHO
CN(C)c1ccc([C@H](CNC(=O)C(=O)N(C)CC[NH3+])N(C)C)cc1	ZINC000911579054	650194434	/nfs/dbraw/zinc/19/44/34/650194434.db2.gz	PDVUJHPVGUKRRR-HNNXBMFYSA-N	1	3	335.452	-0.111	20	10		EBCDHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(N)cc1	ZINC000842238820	584061945	/nfs/dbraw/zinc/06/19/45/584061945.db2.gz	ZDYZUSVIIDZLOE-UHFFFAOYSA-N	1	3	349.479	-0.121	20	10		EBCDHO
CN(C)c1ccc([C@H](N)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1	ZINC000832273230	583997085	/nfs/dbraw/zinc/99/70/85/583997085.db2.gz	MDJVLJIYUCRFPF-HUUCEWRRSA-N	1	3	333.436	-0.263	20	10		EBCDHO
CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)N2CCNCC2)cc1	ZINC000923632580	650349728	/nfs/dbraw/zinc/34/97/28/650349728.db2.gz	BBKROPRKLVYMGR-AWEZNQCLSA-N	1	3	327.454	-0.508	20	10		EBCDHO
[NH3+][C@H](CC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)c1ccccc1[O-]	ZINC001158119480	831629826	/nfs/dbraw/zinc/62/98/26/831629826.db2.gz	HMANHSRWQIVZPV-ACJLOTCBSA-N	1	3	344.415	-0.280	20	10		EBCDHO
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCC2C[NH2+]C2)N(C)C)cc1	ZINC000911286954	650166733	/nfs/dbraw/zinc/16/67/33/650166733.db2.gz	AZJLTFQKDKYFBU-INIZCTEOSA-N	1	3	347.463	-0.193	20	10		EBCDHO
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCC[NH3+])N(C)C)cc1	ZINC000911267236	650164254	/nfs/dbraw/zinc/16/42/54/650164254.db2.gz	MPTMTGGJHYRUEZ-HNNXBMFYSA-N	1	3	335.452	-0.064	20	10		EBCDHO
CN(C)c1ccc([C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)N(C)C)cc1	ZINC000911272694	650165423	/nfs/dbraw/zinc/16/54/23/650165423.db2.gz	FAJQBJGBVOTFFJ-HOCLYGCPSA-N	1	3	347.463	-0.050	20	10		EBCDHO
C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	ZINC000911298740	650167873	/nfs/dbraw/zinc/16/78/73/650167873.db2.gz	VVPNNYLYQSABIP-WFASDCNBSA-N	1	3	335.452	-0.065	20	10		EBCDHO