smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[N@@H+](CCCCCC[NH2+]CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCc2c(ccc(O)c2O)C1	ZINC000003918456	561685410	/nfs/dbraw/zinc/68/54/10/561685410.db2.gz	ZKYPXICBPWTSEA-DEOSSOPVSA-N	2	1	502.721	4.463	1	10		KICFMP
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2c(C(=O)NCCC[NH+](C)C)cccc12	ZINC000026169498	561769697	/nfs/dbraw/zinc/76/96/97/561769697.db2.gz	WDSLYRMRGAEIQV-UHFFFAOYSA-N	2	1	521.643	4.193	1	10		KICFMP
CCOC(=O)Nc1cc(CO)cc(Nc2c3ccccc3[nH+]c3c(C(=O)NCC[NH+](C)C)cccc23)c1	ZINC000027524549	561865821	/nfs/dbraw/zinc/86/58/21/561865821.db2.gz	GDGQVCSKQDZPKG-UHFFFAOYSA-N	2	1	501.587	4.484	1	10		KICFMP
COc1ccccc1N1CC[NH+](CCCn2cc(C[N@H+]3CCc4cc(O)c(O)cc4[C@H](c4cccc(C)c4)C3)nn2)CC1	ZINC000049744853	562673509	/nfs/dbraw/zinc/67/35/09/562673509.db2.gz	QKQZLLMKRBCXLQ-PMERELPUSA-N	2	1	582.749	4.409	1	10		KICFMP
COc1ccccc1N1CC[NH+](CCCn2cc(C[N@@H+]3CCc4cc(O)c(O)cc4[C@H](c4cccc(C)c4)C3)nn2)CC1	ZINC000049744853	562673508	/nfs/dbraw/zinc/67/35/08/562673508.db2.gz	QKQZLLMKRBCXLQ-PMERELPUSA-N	2	1	582.749	4.409	1	10		KICFMP
COc1ccccc1N1CC[NH+](CCCn2cc(C[N@H+]3CCc4cc(O)c(O)cc4[C@@H](c4cccc(C)c4)C3)nn2)CC1	ZINC000049744856	562673567	/nfs/dbraw/zinc/67/35/67/562673567.db2.gz	QKQZLLMKRBCXLQ-SSEXGKCCSA-N	2	1	582.749	4.409	1	10		KICFMP
COc1ccccc1N1CC[NH+](CCCn2cc(C[N@@H+]3CCc4cc(O)c(O)cc4[C@@H](c4cccc(C)c4)C3)nn2)CC1	ZINC000049744856	562673566	/nfs/dbraw/zinc/67/35/66/562673566.db2.gz	QKQZLLMKRBCXLQ-SSEXGKCCSA-N	2	1	582.749	4.409	1	10		KICFMP
COc1ccccc1COCCCOc1ccc(N2CC[NH2+]C[C@@H]2COC2=C[C@H]3[C@H](C=C2)CCC[N@H+]3CCNC(C)=O)cc1	ZINC000064235647	562704581	/nfs/dbraw/zinc/70/45/81/562704581.db2.gz	HRBKKSHDZGRQIV-HWCFGDHISA-N	2	1	604.792	4.146	1	10		KICFMP
COc1ccccc1COCCCOc1ccc(N2CC[NH2+]C[C@@H]2COC2=C[C@H]3[C@@H](C=C2)CCC[N@H+]3CCNC(C)=O)cc1	ZINC000064235651	562704542	/nfs/dbraw/zinc/70/45/42/562704542.db2.gz	HRBKKSHDZGRQIV-UDBCBOCPSA-N	2	1	604.792	4.146	1	10		KICFMP
CC[NH2+][C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(CC=C(C)C[C@@H](NC(=[NH2+])NC)c1ccnc(NC[NH2+]C)c1)C(=O)c1ccccc1C2=O	ZINC000085592597	565147873	/nfs/dbraw/zinc/14/78/73/565147873.db2.gz	GHXDQYINRVCYLS-ZWVOHEOKSA-N	3	1	695.865	4.203	1	10	biogenic,in-vitro	KICFMP
CC[NH2+][C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NC[NH2+]C)c1)C(=O)c1ccccc1C2=O	ZINC000085592598	565147818	/nfs/dbraw/zinc/14/78/18/565147818.db2.gz	SXQWBSQXPUIROV-CLAMKVNVSA-N	2	1	654.808	4.323	1	10	biogenic,in-vitro	KICFMP
CC[NH2+][C@@H]1C[C@H]2C=CCC[C@H]2C[C@@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NC[NH2+]C)c1)C(=O)c1ccccc1C2=O	ZINC000085592599	565147793	/nfs/dbraw/zinc/14/77/93/565147793.db2.gz	HBOYDTNOKJSYNA-KFBUVXFLSA-N	2	1	656.824	4.403	1	10	biogenic,in-vitro	KICFMP
CC[NH2+][C@@H]1C=C[C@@H](CC)C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NC[NH2+]C)c1)C(=O)c1ccccc1C2=O	ZINC000085592616	291833702	/nfs/dbraw/zinc/83/37/02/291833702.db2.gz	SHTUUEPQTVPJFL-FIHHNTJNSA-N	2	1	630.786	4.013	1	10	biogenic,in-vitro	KICFMP
CC[NH2+][C@@H]1CC[C@@H](CC)C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NC[NH2+]C)c1)C(=O)c1ccccc1C2=O	ZINC000085592617	565148492	/nfs/dbraw/zinc/14/84/92/565148492.db2.gz	JIHCRBOBEJTMNH-FIHHNTJNSA-N	2	1	632.802	4.237	1	10	biogenic,in-vitro	KICFMP
COc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[n+]2ccc3ccccc3c2)C(C)(C)C)cc1	ZINC000095537927	562754439	/nfs/dbraw/zinc/75/44/39/562754439.db2.gz	BWCKQOYTRLERPB-QAQBJLFZSA-O	2	1	744.913	4.130	1	10		KICFMP
CC[C@]1(O)C[NH+]2C[C@H](/C=C(\C(=O)OC)c3cc4c(cc3OC)N(C)[C@@H]3[C@]45CC[N@@H+]4CC=C[C@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)[C@H]1c1[nH]c3ccccc3c1CC2	ZINC000095540702	562755930	/nfs/dbraw/zinc/75/59/30/562755930.db2.gz	JPJKITSCFHYWLR-ZKWWXIIISA-N	2	1	808.973	4.092	1	10		KICFMP
CC[C@]1(O)C[N@H+]2C[C@H](/C=C(\C(=O)OC)c3cc4c(cc3OC)N(C)[C@@H]3[C@]45CC[NH+]4CC=C[C@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)[C@H]1c1[nH]c3ccccc3c1CC2	ZINC000095540702	562755929	/nfs/dbraw/zinc/75/59/29/562755929.db2.gz	JPJKITSCFHYWLR-ZKWWXIIISA-N	2	1	808.973	4.092	1	10		KICFMP
C[C@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N2CCN(C)CC2)cc1)c1ccc(O)c(C[NH+]2CCCCC2)c1	ZINC000095586302	562773904	/nfs/dbraw/zinc/77/39/04/562773904.db2.gz	KCEHOAKBSWXZKU-MNQFGDFSSA-N	2	1	599.820	4.183	1	10		KICFMP
C[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N2CCN(C)CC2)cc1)c1ccc(O)c(C[NH+]2CCCCC2)c1	ZINC000095586303	562773890	/nfs/dbraw/zinc/77/38/90/562773890.db2.gz	KCEHOAKBSWXZKU-YOFSKRHJSA-N	2	1	599.820	4.183	1	10		KICFMP
CCC[NH+](CCC)Cc1cc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccc(N3CCN(C)CC3)cc2)ccc1O	ZINC000095587229	562774235	/nfs/dbraw/zinc/77/42/35/562774235.db2.gz	CWKFCHWSAANGGI-QWOOXDRHSA-N	2	1	601.836	4.258	1	10		KICFMP
C[C@H]1c2c(c3c(n2Cc2ccccc2)[C@@H]2Oc4c5c(ccc4O)C[C@H]4[N@H+](C)CC[C@]52[C@@]4(O)C3)C[C@@]2(O)[C@H]3Cc4ccc(O)c(O)c4[C@@]12CC[NH+]3C	ZINC000095607667	562782940	/nfs/dbraw/zinc/78/29/40/562782940.db2.gz	UYHRAQBDMFVGNM-WUWUDTEXSA-N	2	1	687.837	4.161	1	10		KICFMP
C[C@H]1c2c(c3c(n2Cc2ccccc2)[C@@H]2Oc4c5c(ccc4O)C[C@H]4[N@@H+](C)CC[C@]52[C@@]4(O)C3)C[C@@]2(O)[C@H]3Cc4ccc(O)c(O)c4[C@@]12CC[NH+]3C	ZINC000095607667	562782939	/nfs/dbraw/zinc/78/29/39/562782939.db2.gz	UYHRAQBDMFVGNM-WUWUDTEXSA-N	2	1	687.837	4.161	1	10		KICFMP
C[C@H]1c2c(c3c(n2Cc2ccccc2)[C@@H]2Oc4c5c(ccc4O)C[C@H]4[NH+](C)CC[C@]52[C@@]4(O)C3)C[C@@]2(O)[C@H]3Cc4ccc(O)c(O)c4[C@@]12CC[N@H+]3C	ZINC000095607667	562782938	/nfs/dbraw/zinc/78/29/38/562782938.db2.gz	UYHRAQBDMFVGNM-WUWUDTEXSA-N	2	1	687.837	4.161	1	10		KICFMP
C[C@H]1c2c(c3c(n2Cc2ccccc2)[C@@H]2Oc4c5c(ccc4O)C[C@H]4[N@H+](C)CC[C@]52[C@@]4(O)C3)C[C@]2(O)[C@H]3Cc4ccc(O)c(O)c4[C@@]12CC[NH+]3C	ZINC000095607668	562782965	/nfs/dbraw/zinc/78/29/65/562782965.db2.gz	UYHRAQBDMFVGNM-IIRQGUINSA-N	2	1	687.837	4.161	1	10		KICFMP
C[C@H]1c2c(c3c(n2Cc2ccccc2)[C@@H]2Oc4c5c(ccc4O)C[C@H]4[N@@H+](C)CC[C@]52[C@@]4(O)C3)C[C@]2(O)[C@H]3Cc4ccc(O)c(O)c4[C@@]12CC[NH+]3C	ZINC000095607668	562782964	/nfs/dbraw/zinc/78/29/64/562782964.db2.gz	UYHRAQBDMFVGNM-IIRQGUINSA-N	2	1	687.837	4.161	1	10		KICFMP
C[C@H]1c2c(c3c(n2Cc2ccccc2)[C@@H]2Oc4c5c(ccc4O)C[C@H]4[NH+](C)CC[C@]52[C@@]4(O)C3)C[C@]2(O)[C@H]3Cc4ccc(O)c(O)c4[C@@]12CC[N@H+]3C	ZINC000095607668	562782963	/nfs/dbraw/zinc/78/29/63/562782963.db2.gz	UYHRAQBDMFVGNM-IIRQGUINSA-N	2	1	687.837	4.161	1	10		KICFMP
COc1ccccc1COCCCOc1ccc(N2CC[NH2+]C[C@@H]2COC2=C[C@@H]3[C@@H](C=C2)CCC[N@H+]3CCNC(C)=O)cc1	ZINC000169305341	562853436	/nfs/dbraw/zinc/85/34/36/562853436.db2.gz	HRBKKSHDZGRQIV-VFFYYLGXSA-N	2	1	604.792	4.146	1	10		KICFMP