smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N(C)C1CCC([C@H](C(=O)N(C)C)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)CC1	ZINC000014963977	210136742	/nfs/dbraw/zinc/13/67/42/210136742.db2.gz	MJMKUVXOMGIKHO-LZYVMWMOSA-N	1	1	384.496	0.626	1	0		GCAFMO
CC(C)[C@H]([NH3+])C(=O)OCN1C(=O)CC[C@@H](N2C(=O)c3ccccc3C2=O)C1=O	ZINC000013911378	210095028	/nfs/dbraw/zinc/09/50/28/210095028.db2.gz	CDFDXHJVZKXONN-HIFRSBDPSA-N	1	1	387.392	0.284	1	0		GCAFMO
CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCN(C2CCCCC2)C(=O)C1	ZINC000011873014	209889853	/nfs/dbraw/zinc/88/98/53/209889853.db2.gz	APESWJCZROQAQL-QGZVFWFLSA-N	1	1	378.517	0.836	3	0		GCAFMO
CC(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCN(C2CCCCC2)C(=O)C1	ZINC000011873014	209889857	/nfs/dbraw/zinc/88/98/57/209889857.db2.gz	APESWJCZROQAQL-QGZVFWFLSA-N	1	1	378.517	0.836	3	0		GCAFMO
CC(C)(C)C(=O)N(CCCCCC[N@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CC1	ZINC000095605043	211281853	/nfs/dbraw/zinc/28/18/53/211281853.db2.gz	NLWGXBIMKIVVNG-XMTFNYHQSA-N	1	1	386.533	0.343	1	0		GCAFMO
COc1cc2nc(N3CC[NH2+][C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC	ZINC000000841414	209271837	/nfs/dbraw/zinc/27/18/37/209271837.db2.gz	FACJCZHMOYUSSW-ZDUSSCGKSA-N	1	1	388.472	0.922	1	0		GCAFMO
O=C1NC(=O)[C@H]2[C@H]1C1(c3ccccc3)[NH2+]C2(c2ccccc2)[C@H]2C(=O)NC(=O)[C@@H]21	ZINC000004173759	204030488	/nfs/dbraw/zinc/03/04/88/204030488.db2.gz	HUIJEPIOIVWLJF-ZIVZUVSISA-N	1	1	387.395	0.172	1	0		GCAFMO
C[C@H](O)[C@@](C)(O)C(=O)OC[C@H]1CC[N@H+]2CC[C@@H](OC(=O)c3ccccc3O)[C@H]12	ZINC000069482424	291102102	/nfs/dbraw/zinc/10/21/02/291102102.db2.gz	HQNBAGWQDKKAMY-JGYLLYEHSA-N	1	1	393.436	0.687	1	0	biogenic,in-vitro	GCAFMO
CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCN(C2CCCCC2)C(=O)C1	ZINC000011873013	204359532	/nfs/dbraw/zinc/35/95/32/204359532.db2.gz	APESWJCZROQAQL-KRWDZBQOSA-N	1	1	378.517	0.836	3	0		GCAFMO
CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCN(C2CCCCC2)C(=O)C1	ZINC000011873013	204359536	/nfs/dbraw/zinc/35/95/36/204359536.db2.gz	APESWJCZROQAQL-KRWDZBQOSA-N	1	1	378.517	0.836	3	0		GCAFMO
COc1ccc2c(c1OC)[C@@]13CC[N@@H+](C)[C@@]14C[C@@H]2O[C@@]4(O)[C@@H](OC)[C@@H](O)C3	ZINC000095918759	291101699	/nfs/dbraw/zinc/10/16/99/291101699.db2.gz	WOGSBUNWOTVHQN-XTBWBWPPSA-N	1	1	377.437	0.959	1	0	biogenic,in-vitro	GCAFMO
CN(C)CCNC1=CC=C(C(=O)NCC[NH+](C)C)[C@H]2Nc3ccccc3C(=O)[C@H]12	ZINC000100928256	211393957	/nfs/dbraw/zinc/39/39/57/211393957.db2.gz	KTGLOPGTNOFLNR-WOJBJXKFSA-N	1	1	397.523	0.933	1	0		GCAFMO
CC[N@H+]1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@]4(O)[C@@H]1[C@H]2O	ZINC000085510590	291100777	/nfs/dbraw/zinc/10/07/77/291100777.db2.gz	PFSQFYVYGQKXRF-SOHCBZABSA-N	1	1	393.524	0.366	1	0	biogenic,in-vitro	GCAFMO
COC(=O)[C@@H]1C[C@]2(O)[C@@H](C[C@@H](O)[C@@H](O)[C@H]2O)[N@@H+]1Cc1cccc2ccccc21	ZINC000008679928	204283309	/nfs/dbraw/zinc/28/33/09/204283309.db2.gz	VDUYETZNULFGOH-JSNLTNBWSA-N	1	1	387.432	0.173	3	0		GCAFMO
COC(=O)[C@@H]1C[C@]2(O)[C@@H](C[C@@H](O)[C@@H](O)[C@H]2O)[N@H+]1Cc1cccc2ccccc21	ZINC000008679928	204283312	/nfs/dbraw/zinc/28/33/12/204283312.db2.gz	VDUYETZNULFGOH-JSNLTNBWSA-N	1	1	387.432	0.173	3	0		GCAFMO
CC[C@]1(O)C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CC[N@@H+]3CC[C@@H](OC1=O)[C@@H]23	ZINC000059696901	205179397	/nfs/dbraw/zinc/17/93/97/205179397.db2.gz	IYLGZMTXKJYONK-OZZRQTCFSA-N	1	1	395.452	0.958	1	0		GCAFMO
CC[C@]1(O)C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CC[N@H+]3CC[C@@H](OC1=O)[C@@H]23	ZINC000059696901	205179400	/nfs/dbraw/zinc/17/94/00/205179400.db2.gz	IYLGZMTXKJYONK-OZZRQTCFSA-N	1	1	395.452	0.958	1	0		GCAFMO
CC(C)(CO)NC(=O)c1ccc(C(=O)N2CCN(c3[nH+]cccc3N)CC2)nc1	ZINC000003592331	204014332	/nfs/dbraw/zinc/01/43/32/204014332.db2.gz	XPYCHTQVJLPIID-UHFFFAOYSA-N	1	1	398.467	0.522	1	0		GCAFMO
CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(N(C)S(N)(=O)=O)c(C)cc1OC	ZINC000040466153	210788093	/nfs/dbraw/zinc/78/80/93/210788093.db2.gz	CEFBFXCEPYASMH-ZDUSSCGKSA-N	1	1	384.502	0.857	1	0		GCAFMO
O=C([C@H]1CCC2(CCN(c3ncnc4[nH]cnc43)CC2)[NH2+]C1)N1CCOCC1	ZINC000096911007	136187853	/nfs/dbraw/zinc/18/78/53/136187853.db2.gz	JXAQJMJGGVSLQP-AWEZNQCLSA-N	1	1	385.472	0.550	1	0		GCAFMO
CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N1CC[NH+](C)CC1)C(C)(C)C	ZINC000013537118	581092687	/nfs/dbraw/zinc/09/26/87/581092687.db2.gz	JNMVKWZGRSFVRI-HZPDHXFCSA-N	1	1	384.521	0.945	1	0		GCAFMO
COc1ccc(CC(=O)N2CCN(C(C)=O)C[C@@H]2C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000026282791	207311637	/nfs/dbraw/zinc/31/16/37/207311637.db2.gz	KPROYTOCROSGBH-ZWKOTPCHSA-N	1	1	375.469	0.364	1	0		GCAFMO
CN(C)CCNC1=CC=C(C(=O)NCC[NH+](C)C)[C@@H]2Nc3ccccc3C(=O)[C@@H]12	ZINC000100928264	208382413	/nfs/dbraw/zinc/38/24/13/208382413.db2.gz	KTGLOPGTNOFLNR-PMACEKPBSA-N	1	1	397.523	0.933	1	0		GCAFMO
CCCCCCn1cc(CN2C[C@H](N3CC[NH+](C)CC3)CS2(=O)=O)nn1	ZINC000096020938	222373238	/nfs/dbraw/zinc/37/32/38/222373238.db2.gz	XKPHDUBTCSXZFX-KRWDZBQOSA-N	1	1	384.550	0.620	3	0		GCAFMO
C[C@H](O)[C@](C)(O)C(=O)OC[C@@H]1CC[N@H+]2CC[C@@H](OC(=O)Cc3ccccc3)[C@@H]12	ZINC000014556518	291102099	/nfs/dbraw/zinc/10/20/99/291102099.db2.gz	ZIZWTEQHLVZFMT-RCJOQXLUSA-N	1	1	391.464	0.910	1	0	biogenic,in-vitro	GCAFMO
O=C([C@@H]1CCC2(CCN(c3ncnc4[nH]cnc43)CC2)[NH2+]C1)N1CCOCC1	ZINC000096911008	136187810	/nfs/dbraw/zinc/18/78/10/136187810.db2.gz	JXAQJMJGGVSLQP-CQSZACIVSA-N	1	1	385.472	0.550	1	0		GCAFMO
CC[C@@H]1[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CC[N@H+]3C)[C@@H](O5)[C@H](O)C1(CO)CO	ZINC000027769158	207329789	/nfs/dbraw/zinc/32/97/89/207329789.db2.gz	OBPWHNLGAFEGNB-DWNHGRFWSA-N	1	1	389.492	0.942	1	0		GCAFMO
O=C1C[C@@H](c2ccccc2Br)C(=O)N1CN1CC[NH+](CCO)CC1	ZINC000084733462	208097745	/nfs/dbraw/zinc/09/77/45/208097745.db2.gz	UYNZWAJUSATLAW-AWEZNQCLSA-N	1	1	396.285	0.859	1	0		GCAFMO
COc1cccc(CC(=O)N2CCN(C(C)=O)C[C@@H]2C[N@H+]2CC[C@H](O)C2)c1	ZINC000026286815	207311932	/nfs/dbraw/zinc/31/19/32/207311932.db2.gz	HVIIWHNRMPBXJH-ROUUACIJSA-N	1	1	375.469	0.364	1	0		GCAFMO
CC(=O)N1CCN(C(=O)Cc2cc(F)cc(F)c2)[C@H](C[N@H+]2CC[C@@H](O)C2)C1	ZINC000026290764	207312354	/nfs/dbraw/zinc/31/23/54/207312354.db2.gz	WLZKXQIQNDDGFA-QZTJIDSGSA-N	1	1	381.423	0.633	1	0		GCAFMO
C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1)C(F)(F)F	ZINC000027869229	207331563	/nfs/dbraw/zinc/33/15/63/207331563.db2.gz	KHLKTRAKUUPKOP-CYBMUJFWSA-N	1	1	381.376	0.532	1	0		GCAFMO
C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1)C(F)(F)F	ZINC000027869235	207332042	/nfs/dbraw/zinc/33/20/42/207332042.db2.gz	KHLKTRAKUUPKOP-ZDUSSCGKSA-N	1	1	381.376	0.532	1	0		GCAFMO
Cc1cc(=O)n2nc(N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)sc2n1	ZINC000020416581	207191053	/nfs/dbraw/zinc/19/10/53/207191053.db2.gz	YJPUGOCGTQNIKP-UHFFFAOYSA-N	1	1	376.486	0.450	3	0		GCAFMO
COc1ccc2c3c1O[C@H]1[C@H](O)C(CO)(CO)[C@H](C)[C@H]4[C@@H](C2)[N@H+](C)CC[C@]314	ZINC000027842353	207331915	/nfs/dbraw/zinc/33/19/15/207331915.db2.gz	SVRGWROXHDAVSN-HIGOZJKUSA-N	1	1	375.465	0.552	1	0		GCAFMO
[NH3+]CCC[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000038319063	207558972	/nfs/dbraw/zinc/55/89/72/207558972.db2.gz	ALTMCHFWKFNEOZ-ULQDDVLXSA-N	1	1	388.468	0.000	1	0		GCAFMO
COc1ccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@@]3(C)O)c3nc[nH+]c(N)c23)cc1	ZINC000084689086	222319303	/nfs/dbraw/zinc/31/93/03/222319303.db2.gz	PEPFEUJCRCPOSQ-SVYNMNNPSA-N	1	1	386.408	0.691	1	0		GCAFMO