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)N1C[C@H](C(N)=O)[C@@H](c2ccc(C[N@H+](C)Cc3ccc(N4CCCC4)cc3)cc2)C1	ZINC000019699235	556858520	/nfs/dbraw/zinc/85/85/20/556858520.db2.gz	OETYWOFXEMKHFS-RPBOFIJWSA-N	1	1	434.584	2.966	40	10		IFCBMO
COc1cc(N2CCOCC2)ccc1C[N@@H+](CCCN1CCOCC1)Cc1cccnc1	ZINC000013569079	132350658	/nfs/dbraw/zinc/35/06/58/132350658.db2.gz	DBDMOGGBCCSQKE-UHFFFAOYSA-N	1	1	440.588	2.651	40	10		IFCBMO
CNc1nc([C@@H]2CCCN2C(=O)CCN(C)c2ccc(OC)cc2)nc2c1CC[N@H+](C)C2	ZINC000019707118	556866170	/nfs/dbraw/zinc/86/61/70/556866170.db2.gz	ICYZCYUJWOEGHK-NRFANRHFSA-N	1	1	438.576	2.705	40	10		IFCBMO
CNc1nc([C@@H]2CCCN2C(=O)CCN(C)c2ccc(OC)cc2)nc2c1CC[N@@H+](C)C2	ZINC000019707118	556866171	/nfs/dbraw/zinc/86/61/71/556866171.db2.gz	ICYZCYUJWOEGHK-NRFANRHFSA-N	1	1	438.576	2.705	40	10		IFCBMO
CCN(CC)c1ccc(C[N@H+]2CCc3c(=O)[nH]c(N4C[C@H](C)O[C@@H](C)C4)nc3C2)c(O)c1	ZINC000019526492	569226873	/nfs/dbraw/zinc/22/68/73/569226873.db2.gz	LWMCMKXYLRAPCU-IRXDYDNUSA-N	1	1	441.576	2.906	40	10		IFCBMO
C[NH+]1CCN(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)CC1	ZINC000008819702	556219577	/nfs/dbraw/zinc/21/95/77/556219577.db2.gz	RWICCTKPAOTRTF-VLGSPTGOSA-N	1	1	432.615	2.727	40	10		IFCBMO
CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(C[N@H+](C)Cc3ccc4c(c3)CCCN4C)cc2)C1	ZINC000019699236	556858635	/nfs/dbraw/zinc/85/86/35/556858635.db2.gz	XAELNEYRWDHURJ-RPWUZVMVSA-N	1	1	434.584	2.748	40	10		IFCBMO
C[NH+]1CCN(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1	ZINC000008820512	556220819	/nfs/dbraw/zinc/22/08/19/556220819.db2.gz	ORABRNUYOHCJFR-PCAXMVLJSA-N	1	1	430.599	2.503	40	10		IFCBMO
COc1ccc(N2CCC[N@@H+](CC3CCN(C(=O)c4cn(C)nc4C)CC3)CC2)cc1	ZINC000072338553	524405204	/nfs/dbraw/zinc/40/52/04/524405204.db2.gz	UAGWXDQDCXZTKE-UHFFFAOYSA-N	1	1	425.577	2.802	40	10		IFCBMO
CC(NCCC[NH+]1CCOCC1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	ZINC000112294428	557239719	/nfs/dbraw/zinc/23/97/19/557239719.db2.gz	HXQXKGOAQPFTPE-PYCFMQQDSA-N	1	1	449.511	2.932	40	10		IFCBMO
COc1ccc(N2CCC[N@@H+](CC3CCN(C(=O)c4cnn(C)c4C)CC3)CC2)cc1	ZINC000072338554	524405773	/nfs/dbraw/zinc/40/57/73/524405773.db2.gz	MOSRWHLSOVDGMW-UHFFFAOYSA-N	1	1	425.577	2.802	40	10		IFCBMO
CNc1nc([C@H]2CCCN2C(=O)CCN(C)c2ccc(OC)cc2)nc2c1CC[N@H+](C)C2	ZINC000019707119	556866274	/nfs/dbraw/zinc/86/62/74/556866274.db2.gz	ICYZCYUJWOEGHK-OAQYLSRUSA-N	1	1	438.576	2.705	40	10		IFCBMO
CNc1nc([C@H]2CCCN2C(=O)CCN(C)c2ccc(OC)cc2)nc2c1CC[N@@H+](C)C2	ZINC000019707119	556866276	/nfs/dbraw/zinc/86/62/76/556866276.db2.gz	ICYZCYUJWOEGHK-OAQYLSRUSA-N	1	1	438.576	2.705	40	10		IFCBMO
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NCCC[NH+]3CCOCC3)C2=O)cc1	ZINC000020356356	557010534	/nfs/dbraw/zinc/01/05/34/557010534.db2.gz	JSYBMGZSRGULMH-KNTRCKAVSA-N	1	1	447.626	2.815	40	10		IFCBMO
COc1ccc(N2CCC[N@@H+](CC3CCN(C(=O)CCCn4cncn4)CC3)CC2)cc1	ZINC000072338567	524405654	/nfs/dbraw/zinc/40/56/54/524405654.db2.gz	GIQDCIBLUXOEER-UHFFFAOYSA-N	1	1	440.592	2.518	40	10		IFCBMO
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NCCC[NH+]1CCOCC1	ZINC000008820443	556220415	/nfs/dbraw/zinc/22/04/15/556220415.db2.gz	CNIUYGTVLYNTCS-DURWOYGOSA-N	1	1	445.610	2.673	40	10		IFCBMO
CN(C)c1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)[N@H+]3C)cc1	ZINC000035442473	522180966	/nfs/dbraw/zinc/18/09/66/522180966.db2.gz	RYSWPKVXAPFOPT-ARNLJNQMSA-N	1	1	449.599	2.545	40	10	biogenic,in-vitro	IFCBMO
CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)N3C)cc1	ZINC000035442473	522181009	/nfs/dbraw/zinc/18/10/09/522181009.db2.gz	RYSWPKVXAPFOPT-ARNLJNQMSA-N	1	1	449.599	2.545	40	10	biogenic,in-vitro	IFCBMO
CN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)N3C)cc1	ZINC000035442473	522181021	/nfs/dbraw/zinc/18/10/21/522181021.db2.gz	RYSWPKVXAPFOPT-ARNLJNQMSA-N	1	1	449.599	2.545	40	10	biogenic,in-vitro	IFCBMO
CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O	ZINC000008820639	556220813	/nfs/dbraw/zinc/22/08/13/556220813.db2.gz	BBUROKYFXIEWDB-DPBMIUELSA-N	1	1	445.610	2.673	40	10		IFCBMO
COCCN1C(=O)CCC[C@@H]2[C@H]1CCC[N@H+]2CC1(O)CCN(c2ccc(OC)cc2)CC1	ZINC000585285068	557224908	/nfs/dbraw/zinc/22/49/08/557224908.db2.gz	VTHVJTWGTVEUSL-DHIUTWEWSA-N	1	1	445.604	2.518	40	10		IFCBMO
CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCCC(=O)NN2CC[NH+](C)CC2)C1=O	ZINC000008820581	556220796	/nfs/dbraw/zinc/22/07/96/556220796.db2.gz	WDPKEMXPRREQOI-SRKLUXGOSA-N	1	1	444.626	2.893	40	10		IFCBMO