smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2c(cccc2N2CC[N@@H+](CCc3c(C)ccc4c3ccc(=O)n4C)[C@@H](C)C2)n1	ZINC000064573276	563156431	/nfs/dbraw/zinc/15/64/31/563156431.db2.gz	UUWQIBYZFVEIMA-NRFANRHFSA-N	1	1	440.591	4.457	1	10		IICFMO
COc1ccc2c(c1)CC[C@@H]1C[N@H+](CCCCNC(=O)c3ccc4ccccc4c3)CCN21	ZINC000013643287	562998495	/nfs/dbraw/zinc/99/84/95/562998495.db2.gz	UIDZLCOJXTUNII-RUZDIDTESA-N	1	1	443.591	4.495	1	10		IICFMO
Cc1ccc2c(cccc2N2CC[N@@H+](CCc3c(C)ccc4c3ccc(=O)n4C)[C@H](C)C2)n1	ZINC000064560061	563156168	/nfs/dbraw/zinc/15/61/68/563156168.db2.gz	UUWQIBYZFVEIMA-OAQYLSRUSA-N	1	1	440.591	4.457	1	10		IICFMO
Cc1ccc2c(cc(F)cc2N2CC[N@@H+](CCc3cccc4c3ccc(=O)n4C)[C@@H](C)C2)n1	ZINC000064573298	563156420	/nfs/dbraw/zinc/15/64/20/563156420.db2.gz	UFYNVMLPCYILNZ-IBGZPJMESA-N	1	1	444.554	4.287	1	10		IICFMO
COc1ccc(N2CC[NH2+][C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1	ZINC000095598594	563192197	/nfs/dbraw/zinc/19/21/97/563192197.db2.gz	VDPOPYFAETYXQK-INIZCTEOSA-N	1	1	443.594	4.023	1	10		IICFMO
COc1nnc(Nc2cc(C[NH+]3CCCC3)c([O-])c(C[NH+]3CCCC3)c2)c2ccccc21	ZINC000027893636	563048058	/nfs/dbraw/zinc/04/80/58/563048058.db2.gz	RIHLEBATZVVEKR-UHFFFAOYSA-N	1	1	433.556	4.279	1	10		IICFMO
COc1ccc(-n2cnc3cc(NCc4ccc(C[NH+]5CCN(C)CC5)cc4)ccc32)cc1	ZINC000095582533	563187987	/nfs/dbraw/zinc/18/79/87/563187987.db2.gz	DZWCFPPLSDCFPY-UHFFFAOYSA-N	1	1	441.579	4.394	1	10		IICFMO
C[NH2+]Cc1cc(CCC(=O)C=C(O)CCCCCCc2cccc(O)c2)cc(OC)c1O	ZINC000085627110	291381816	/nfs/dbraw/zinc/38/18/16/291381816.db2.gz	YMJXGADQEOWJAY-UHFFFAOYSA-N	1	1	441.568	4.480	1	10	biogenic,in-vitro	IICFMO
COc1ccc(N2CC[NH2+][C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1	ZINC000095598574	563192151	/nfs/dbraw/zinc/19/21/51/563192151.db2.gz	VDPOPYFAETYXQK-MRXNPFEDSA-N	1	1	443.594	4.023	1	10		IICFMO
COc1cc2nc3c(cc2c(CN2CC[NH+](C)CC2)c1O)CSc1cc(F)ccc1-3	ZINC000043076770	563118312	/nfs/dbraw/zinc/11/83/12/563118312.db2.gz	QPGBPZZEMJEKJP-UHFFFAOYSA-N	1	1	425.529	4.108	1	10		IICFMO
COC(=O)c1c2c(oc3c2C(=O)c2ccccc2C3=O)c2ccccc2c1OCC[NH+](C)C	ZINC000028569313	563058806	/nfs/dbraw/zinc/05/88/06/563058806.db2.gz	LAGLTBCHFAHIEE-UHFFFAOYSA-N	1	1	443.455	4.088	1	10		IICFMO
COc1ccc(N2CC[NH+](CC[C@@H](OC(N)=O)c3ccc(Cl)cc3Cl)CC2)cc1	ZINC000095574318	563185253	/nfs/dbraw/zinc/18/52/53/563185253.db2.gz	WTMDTSOAKKTZJP-HXUWFJFHSA-N	1	1	438.355	4.351	1	10		IICFMO
COc1ccc(-n2cnc3cc(NCc4ccc(C[NH+]5CCOCC5)cc4)ccc32)cc1	ZINC000095583140	563188233	/nfs/dbraw/zinc/18/82/33/563188233.db2.gz	YZKVTEZVSQYKMP-UHFFFAOYSA-N	1	1	428.536	4.478	1	10		IICFMO
COc1ccc(N2CC[NH+](CC[C@H](OC(N)=O)c3ccc(Cl)cc3Cl)CC2)cc1	ZINC000095574317	563185216	/nfs/dbraw/zinc/18/52/16/563185216.db2.gz	WTMDTSOAKKTZJP-FQEVSTJZSA-N	1	1	438.355	4.351	1	10		IICFMO
COc1cc(C[C@@H]2c3cc(O)c(O)cc3CC[N@@H+]2Cc2ccccc2)cc(OC)c1OC	ZINC000029312817	563077654	/nfs/dbraw/zinc/07/76/54/563077654.db2.gz	KQHZCEHMSOQMKM-OAQYLSRUSA-N	1	1	435.520	4.466	1	10		IICFMO
COc1cccc(CN2CCC[C@@H]2[C@H](O)C[NH2+]C(C)(C)Cc2ccc3ccccc3c2)c1O	ZINC000028564730	563057802	/nfs/dbraw/zinc/05/78/02/563057802.db2.gz	ROZPFCVQFHWPAO-JWQCQUIFSA-N	1	1	448.607	4.490	1	10		IICFMO
CN1OC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21	ZINC000072104581	563162932	/nfs/dbraw/zinc/16/29/32/563162932.db2.gz	SGHUCSJRSXPCST-XWGVYQGASA-N	1	1	435.568	4.214	3	10		IICFMO
COc1cc(C[C@H]2c3cc(O)c(O)cc3CC[N@@H+]2Cc2ccccc2)cc(OC)c1OC	ZINC000029312813	563077639	/nfs/dbraw/zinc/07/76/39/563077639.db2.gz	KQHZCEHMSOQMKM-NRFANRHFSA-N	1	1	435.520	4.466	1	10		IICFMO
Cc1ccc2c(cc(F)cc2N2CC[N@@H+](CCc3cccc4c3ccc(=O)n4C)[C@H](C)C2)n1	ZINC000064559549	563156152	/nfs/dbraw/zinc/15/61/52/563156152.db2.gz	UFYNVMLPCYILNZ-LJQANCHMSA-N	1	1	444.554	4.287	1	10		IICFMO
COc1ccc2c(c1)CC[C@H]1C[N@H+](CCCCNC(=O)c3ccc4ccccc4c3)CCN21	ZINC000013643291	562998682	/nfs/dbraw/zinc/99/86/82/562998682.db2.gz	UIDZLCOJXTUNII-VWLOTQADSA-N	1	1	443.591	4.495	1	10		IICFMO
CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(C[N+](C)(C)C)c2)c(Cl)c1Cl	ZINC000040812854	563106916	/nfs/dbraw/zinc/10/69/16/563106916.db2.gz	BBZWUZUJYYIDFV-UHFFFAOYSA-O	1	1	441.331	4.078	1	10		IICFMO
Cc1ccc2c(cccc2N2CC[N@@H+](CCc3cccc4c3ccc(=O)n4C)[C@@H](C)C2)n1	ZINC000064559550	563156058	/nfs/dbraw/zinc/15/60/58/563156058.db2.gz	DEGNGOWCMPZWDE-FQEVSTJZSA-N	1	1	426.564	4.148	1	10		IICFMO