smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1cc2c3c1cccc3[C@@H]1C=C(C)C[N@@H+](C)[C@@H]1C2	ZINC000001575221	567838483	/nfs/dbraw/zinc/83/84/83/567838483.db2.gz	BHVLXRUVIPEIKP-FUHWJXTLSA-N	1	1	280.415	3.951	40	10		CHCBMO
Cc1cc(N2CCCC2)ccc1/C=C/C1=CC[N@@H+](C)CC1	ZINC000004933140	1129389908	/nfs/dbraw/zinc/38/99/08/1129389908.db2.gz	BMCOSZUDENJGHD-AATRIKPKSA-N	1	1	282.431	3.870	40	10		CHCBMO
Cc1cc([C@@H]2CCCCC[N@H+]2Cc2ccccc2O)no1	ZINC000019119440	567877382	/nfs/dbraw/zinc/87/73/82/567877382.db2.gz	KLEQCALIFNUJAN-INIZCTEOSA-N	1	1	286.375	3.806	40	10		CHCBMO
CCC[N@H+]1CCc2ccccc2[C@@H]1Cc1ccc(O)c(O)c1	ZINC000031720166	171644764	/nfs/dbraw/zinc/64/47/64/171644764.db2.gz	BVFYRHOPIDAJOR-KRWDZBQOSA-N	1	1	297.398	3.650	40	10		CHCBMO
Nc1ccc(/N=N\c2cc(Cl)ccc2Cl)c(N)[nH+]1	ZINC000100355632	567912989	/nfs/dbraw/zinc/91/29/89/567912989.db2.gz	VKEAYWZFIYWSQB-ZCXUNETKSA-N	1	1	282.134	3.968	40	10		CHCBMO
Cc1cc([C@H]2CCCCC[N@H+]2Cc2ccccc2O)on1	ZINC000019120318	567877555	/nfs/dbraw/zinc/87/75/55/567877555.db2.gz	QDKBIECLUJNWON-OAHLLOKOSA-N	1	1	286.375	3.806	40	10		CHCBMO
CCC[N@H+]1CCc2ccccc2[C@H]1Cc1ccc(O)c(O)c1	ZINC000031720168	567885081	/nfs/dbraw/zinc/88/50/81/567885081.db2.gz	BVFYRHOPIDAJOR-QGZVFWFLSA-N	1	1	297.398	3.650	40	10		CHCBMO
CC[NH+](CC)[C@@H](c1ccc2cccnc2c1O)C(C)C	ZINC000005261323	170080703	/nfs/dbraw/zinc/08/07/03/170080703.db2.gz	IBUGKZJYTAPXIF-MRXNPFEDSA-N	1	1	272.392	3.979	40	10		CHCBMO
Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCC[N@@H+]1C	ZINC000072216836	567921341	/nfs/dbraw/zinc/92/13/41/567921341.db2.gz	BKONVGXAINHJHW-INIZCTEOSA-N	1	1	269.392	3.646	40	10		CHCBMO
Cc1cc([C@H]2CCCCC[N@H+]2Cc2ccccc2O)no1	ZINC000019119443	567877632	/nfs/dbraw/zinc/87/76/32/567877632.db2.gz	KLEQCALIFNUJAN-MRXNPFEDSA-N	1	1	286.375	3.806	40	10		CHCBMO
CC[N@H+]1CCC[C@H]1c1cccnc1-n1c(C)ccc1C	ZINC000072216814	567921359	/nfs/dbraw/zinc/92/13/59/567921359.db2.gz	WUNGATDUKSCQFP-INIZCTEOSA-N	1	1	269.392	3.646	40	10		CHCBMO
Cc1ccc(C)n1-c1ccc([C@@H]2CCCC[N@@H+]2C)cn1	ZINC000072216776	567921368	/nfs/dbraw/zinc/92/13/68/567921368.db2.gz	LZGVVKLIFFSAAU-INIZCTEOSA-N	1	1	269.392	3.646	40	10		CHCBMO
CC[NH+](CC)[C@H](c1ccc2cccnc2c1O)C(C)C	ZINC000005261324	170080913	/nfs/dbraw/zinc/08/09/13/170080913.db2.gz	IBUGKZJYTAPXIF-INIZCTEOSA-N	1	1	272.392	3.979	40	10		CHCBMO
C[N@@H+]1CC=C(/C=C/c2ccc(N3CCCCC3)cc2)CC1	ZINC000004933138	567932826	/nfs/dbraw/zinc/93/28/26/567932826.db2.gz	KRHWCQQXRMQMGB-AATRIKPKSA-N	1	1	282.431	3.952	40	10		CHCBMO
CCCn1cc2c3c1cccc3[C@H]1C=C(C)C[N@@H+](C)[C@@H]1C2	ZINC000005139236	170069903	/nfs/dbraw/zinc/06/99/03/170069903.db2.gz	BHVLXRUVIPEIKP-SJLPKXTDSA-N	1	1	280.415	3.951	40	10		CHCBMO
CC[N@H+]1CCC[C@H]1c1ccc(-n2c(C)ccc2C)nc1	ZINC000072216754	567921179	/nfs/dbraw/zinc/92/11/79/567921179.db2.gz	MXRHQRQTEOOCFX-INIZCTEOSA-N	1	1	269.392	3.646	40	10		CHCBMO
CC[N@H+]1CCC[C@@H]1c1ccc(-n2c(C)ccc2C)nc1	ZINC000072216753	567921258	/nfs/dbraw/zinc/92/12/58/567921258.db2.gz	MXRHQRQTEOOCFX-MRXNPFEDSA-N	1	1	269.392	3.646	40	10		CHCBMO
Cc1cc(C=O)c(C)n1-c1ccc([NH+]2CCCCC2)cc1	ZINC000008701899	567939080	/nfs/dbraw/zinc/93/90/80/567939080.db2.gz	FIRQLHCJRMTXOT-UHFFFAOYSA-N	1	1	282.387	3.897	40	10		CHCBMO
Cc1ccc(C)n1-c1ncccc1[C@H]1CCCC[N@@H+]1C	ZINC000072216837	567920938	/nfs/dbraw/zinc/92/09/38/567920938.db2.gz	BKONVGXAINHJHW-MRXNPFEDSA-N	1	1	269.392	3.646	40	10		CHCBMO
Fc1ccc(N2CC[NH+](C3=Cc4ccccc4C3)CC2)cc1	ZINC000055145592	570241234	/nfs/dbraw/zinc/24/12/34/570241234.db2.gz	CNXAHDKBWWSDFZ-UHFFFAOYSA-N	1	1	294.373	3.545	40	10		CHCBMO
C[NH+](C)Cc1cc(C(C)(C)C)cc(Br)c1O	ZINC000001706324	567842180	/nfs/dbraw/zinc/84/21/80/567842180.db2.gz	HNKDNHXOESLWFE-UHFFFAOYSA-N	1	1	286.213	3.514	40	10		CHCBMO
Nc1ccc(/N=N/c2cc(Cl)ccc2Cl)c(N)[nH+]1	ZINC000017420216	567875587	/nfs/dbraw/zinc/87/55/87/567875587.db2.gz	VKEAYWZFIYWSQB-ISLYRVAYSA-N	1	1	282.134	3.968	40	10		CHCBMO
Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2CC[C@@H](C2)C1	ZINC000004934792	170042191	/nfs/dbraw/zinc/04/21/91/170042191.db2.gz	GHXHNLPIXBQUDS-RYUDHWBXSA-N	1	1	265.784	3.668	40	10		CHCBMO
Cc1cc([C@@H]2CCCCC[N@H+]2Cc2ccccc2O)on1	ZINC000019120315	567877311	/nfs/dbraw/zinc/87/73/11/567877311.db2.gz	QDKBIECLUJNWON-HNNXBMFYSA-N	1	1	286.375	3.806	40	10		CHCBMO
CC[N@H+]1CCC[C@@H]1c1cccnc1-n1c(C)ccc1C	ZINC000072216813	567921012	/nfs/dbraw/zinc/92/10/12/567921012.db2.gz	WUNGATDUKSCQFP-MRXNPFEDSA-N	1	1	269.392	3.646	40	10		CHCBMO
Cc1ccc(C)n1-c1ccc([C@H]2CCCC[N@@H+]2C)cn1	ZINC000072216777	567921056	/nfs/dbraw/zinc/92/10/56/567921056.db2.gz	LZGVVKLIFFSAAU-MRXNPFEDSA-N	1	1	269.392	3.646	40	10		CHCBMO