smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1noc(C2CC[NH+]([C@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)CC2)n1	ZINC000160964169	567842354	/nfs/dbraw/zinc/84/23/54/567842354.db2.gz	LBGOQRAPHOHFQP-CQSZACIVSA-N	1	1	367.453	3.985	20	70		FHIDMO
CC(C)(C)C(=O)N1CCC(C[N@H+]2CCc3c4ccccc4[nH]c3C2)CC1	ZINC000161133214	567875151	/nfs/dbraw/zinc/87/51/51/567875151.db2.gz	OTRVHLOKVSNOIX-UHFFFAOYSA-N	1	1	353.510	3.811	20	70		FHIDMO
CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	ZINC000159372239	568216271	/nfs/dbraw/zinc/21/62/71/568216271.db2.gz	UZEHWLLYVHIWIW-YJBOKZPZSA-N	1	1	372.538	3.853	20	70		FHIDMO
COc1ccc(CCCC(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)c(OC)c1	ZINC000160961931	567841790	/nfs/dbraw/zinc/84/17/90/567841790.db2.gz	YYRNMYNLJZZOLI-QGZVFWFLSA-N	1	1	374.525	3.502	20	70		FHIDMO
CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	ZINC000159372378	568216346	/nfs/dbraw/zinc/21/63/46/568216346.db2.gz	UZEHWLLYVHIWIW-MAUKXSAKSA-N	1	1	372.538	3.853	20	70		FHIDMO
CC[C@H](CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccc(C)cc1	ZINC000159382032	568230747	/nfs/dbraw/zinc/23/07/47/568230747.db2.gz	AOOORQYASKDSLL-IRLDBZIGSA-N	1	1	371.569	3.507	20	70		FHIDMO
C[C@@H]1CCC[N@H+]1C1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CC1	ZINC000160857967	567822554	/nfs/dbraw/zinc/82/25/54/567822554.db2.gz	BDGOYMOHBWCLQA-QFUCXCTJSA-N	1	1	371.525	3.565	20	70		FHIDMO
COc1ccc(CCCC(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)c(OC)c1	ZINC000160962056	567841684	/nfs/dbraw/zinc/84/16/84/567841684.db2.gz	YYRNMYNLJZZOLI-KRWDZBQOSA-N	1	1	374.525	3.502	20	70		FHIDMO
C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1	ZINC000160962867	567841969	/nfs/dbraw/zinc/84/19/69/567841969.db2.gz	PFBLDYVSUVDQJF-HNNXBMFYSA-N	1	1	359.901	3.733	20	70		FHIDMO
C[C@H](Cc1ccccc1Cl)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1	ZINC000160962987	567842132	/nfs/dbraw/zinc/84/21/32/567842132.db2.gz	PFBLDYVSUVDQJF-OAHLLOKOSA-N	1	1	359.901	3.733	20	70		FHIDMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2c[nH]c3c2cccc3C)cn1	ZINC000161236608	567890223	/nfs/dbraw/zinc/89/02/23/567890223.db2.gz	PIKNXRAOLOJURE-UHFFFAOYSA-N	1	1	373.460	3.614	20	70		FHIDMO
Cc1csc(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1	ZINC000160853617	567821770	/nfs/dbraw/zinc/82/17/70/567821770.db2.gz	HWQYYWJPTUWXGM-MRXNPFEDSA-N	1	1	364.559	3.638	20	70		FHIDMO
CCN(C(=O)NC[C@@H](C)c1nccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000161244542	567897606	/nfs/dbraw/zinc/89/76/06/567897606.db2.gz	WNIZHTKOIMKWNU-AEFFLSMTSA-N	1	1	372.538	3.553	20	70		FHIDMO
C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1nc2ccccc2c(=O)[nH]1	ZINC000160880730	567826577	/nfs/dbraw/zinc/82/65/77/567826577.db2.gz	LBGNKLWEYFHVPT-LSDHHAIUSA-N	1	1	359.433	3.521	20	70		FHIDMO
C[C@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccccc1-n1cccn1	ZINC000160880488	567826548	/nfs/dbraw/zinc/82/65/48/567826548.db2.gz	LBGNKLWEYFHVPT-GJZGRUSLSA-N	1	1	359.433	3.521	20	70		FHIDMO
CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1=O)c1nccs1	ZINC000161076269	567862304	/nfs/dbraw/zinc/86/23/04/567862304.db2.gz	HGFKXRAZMLDFNR-NWDGAFQWSA-N	1	1	367.421	3.591	20	70		FHIDMO
CC[C@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1=O)c1nccs1	ZINC000161076511	567862373	/nfs/dbraw/zinc/86/23/73/567862373.db2.gz	HGFKXRAZMLDFNR-RYUDHWBXSA-N	1	1	367.421	3.591	20	70		FHIDMO
Cn1cc[nH+]c1CC1CCN(C(=O)CCC(C)(C)c2ccccc2)CC1	ZINC000160963971	567842291	/nfs/dbraw/zinc/84/22/91/567842291.db2.gz	UTOIPTJNGRZHRC-UHFFFAOYSA-N	1	1	353.510	3.959	20	70		FHIDMO
C[C@@H]([NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccccc1-n1cccn1	ZINC000160880838	567826569	/nfs/dbraw/zinc/82/65/69/567826569.db2.gz	LBGNKLWEYFHVPT-HUUCEWRRSA-N	1	1	359.433	3.521	20	70		FHIDMO
CCN(C(=O)NC[C@@H](C)c1nccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000161244416	567897646	/nfs/dbraw/zinc/89/76/46/567897646.db2.gz	WNIZHTKOIMKWNU-SJLPKXTDSA-N	1	1	372.538	3.553	20	70		FHIDMO
CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1=O)c1nccs1	ZINC000161076648	567862463	/nfs/dbraw/zinc/86/24/63/567862463.db2.gz	HGFKXRAZMLDFNR-NEPJUHHUSA-N	1	1	367.421	3.591	20	70		FHIDMO
Cc1noc(C)c1[C@H](C)CC(=O)NC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000161231882	567889276	/nfs/dbraw/zinc/88/92/76/567889276.db2.gz	KDCYLAMBABCJCW-GQIGUUNPSA-N	1	1	369.509	3.812	20	70		FHIDMO
Cc1noc([C@H]2CCC[N@@H+]([C@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)C2)n1	ZINC000160963588	567842342	/nfs/dbraw/zinc/84/23/42/567842342.db2.gz	YTTHFKMOQKBUSI-PBHICJAKSA-N	1	1	367.453	3.985	20	70		FHIDMO
Cc1noc([C@H]2CCC[N@H+]([C@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)C2)n1	ZINC000160963588	567842343	/nfs/dbraw/zinc/84/23/43/567842343.db2.gz	YTTHFKMOQKBUSI-PBHICJAKSA-N	1	1	367.453	3.985	20	70		FHIDMO
CC[C@@H](CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccc(C)cc1	ZINC000159381902	568230593	/nfs/dbraw/zinc/23/05/93/568230593.db2.gz	AOOORQYASKDSLL-UNMCSNQZSA-N	1	1	371.569	3.507	20	70		FHIDMO
CC[C@@H](CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccc(C)cc1	ZINC000159382161	568230741	/nfs/dbraw/zinc/23/07/41/568230741.db2.gz	AOOORQYASKDSLL-RBBKRZOGSA-N	1	1	371.569	3.507	20	70		FHIDMO
CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1=O)c1nccs1	ZINC000161076400	567862324	/nfs/dbraw/zinc/86/23/24/567862324.db2.gz	HGFKXRAZMLDFNR-VXGBXAGGSA-N	1	1	367.421	3.591	20	70		FHIDMO
Cc1noc(C)c1[C@H](C)CC(=O)NC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1	ZINC000161231636	567889308	/nfs/dbraw/zinc/88/93/08/567889308.db2.gz	KDCYLAMBABCJCW-GUXCAODWSA-N	1	1	369.509	3.812	20	70		FHIDMO
CC[C@H](CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccc(C)cc1	ZINC000159382297	568230769	/nfs/dbraw/zinc/23/07/69/568230769.db2.gz	AOOORQYASKDSLL-IFMALSPDSA-N	1	1	371.569	3.507	20	70		FHIDMO
Cc1noc([C@H]2CCC[N@@H+]([C@@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)C2)n1	ZINC000160963773	567842368	/nfs/dbraw/zinc/84/23/68/567842368.db2.gz	YTTHFKMOQKBUSI-YOEHRIQHSA-N	1	1	367.453	3.985	20	70		FHIDMO
Cc1noc([C@H]2CCC[N@H+]([C@@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)C2)n1	ZINC000160963773	567842370	/nfs/dbraw/zinc/84/23/70/567842370.db2.gz	YTTHFKMOQKBUSI-YOEHRIQHSA-N	1	1	367.453	3.985	20	70		FHIDMO
C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccccc1-n1cccn1	ZINC000160880619	567826633	/nfs/dbraw/zinc/82/66/33/567826633.db2.gz	LBGNKLWEYFHVPT-CABCVRRESA-N	1	1	359.433	3.521	20	70		FHIDMO
Cc1csc(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1	ZINC000160853469	567821721	/nfs/dbraw/zinc/82/17/21/567821721.db2.gz	HWQYYWJPTUWXGM-INIZCTEOSA-N	1	1	364.559	3.638	20	70		FHIDMO
Cc1noc(C2CC[NH+]([C@@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)CC2)n1	ZINC000160964284	567842351	/nfs/dbraw/zinc/84/23/51/567842351.db2.gz	LBGOQRAPHOHFQP-AWEZNQCLSA-N	1	1	367.453	3.985	20	70		FHIDMO