smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1cccc(C[N@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C2CC2)c1	ZINC000217739723	359024557	/nfs/dbraw/zinc/02/45/57/359024557.db2.gz	UNYDPZFWDIMCLE-ZSHCYNCHSA-N	2	0	258.365	1.822	50	70		CDIARP
Fc1ccccc1N1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1	ZINC000217003909	358973314	/nfs/dbraw/zinc/97/33/14/358973314.db2.gz	GYUCFPDYEHOIKS-WDNDVIMCSA-N	2	0	275.371	1.413	50	70		CDIARP
C[N@@H+]1CCC[C@@H]1CCN(CCO)Cc1ccccc1	ZINC000161407977	364489959	/nfs/dbraw/zinc/48/99/59/364489959.db2.gz	DPWROUIZULKTNM-MRXNPFEDSA-N	2	0	262.397	1.965	50	70		CDIARP
C[NH+]1CCC2(CC1)CCCN(C(=O)Cn1ccnc1)CC2	ZINC000218480854	359055235	/nfs/dbraw/zinc/05/52/35/359055235.db2.gz	KYZROPAAEKIFRI-UHFFFAOYSA-N	2	0	290.411	1.608	50	70		CDIARP
COc1ccc(CC[N@H+](C)C[C@H]2[C@@H]3C[NH2+]C[C@H]23)cc1OC	ZINC000217616515	295119429	/nfs/dbraw/zinc/11/94/29/295119429.db2.gz	FXYWYJSUTRIURW-FICVDOATSA-N	2	0	290.407	1.644	50	70		CDIARP
CC[NH+](CC)CCCNc1cc(C2CC([NH3+])C2)nc(N)n1	ZINC000218260632	359047610	/nfs/dbraw/zinc/04/76/10/359047610.db2.gz	YQHMBYCAOWFJSP-UHFFFAOYSA-N	2	0	292.431	1.407	50	70		CDIARP
CCc1nccc(C[N@H+]2C[C@@H]3[C@@H](C[NH+](C)C)[C@@H]3C2)n1	ZINC000217349125	358994761	/nfs/dbraw/zinc/99/47/61/358994761.db2.gz	IDRSAOKZANJTOM-ZSOGYDGISA-N	2	0	260.385	1.278	50	70		CDIARP
CC(=O)c1cc(C[N@H+]2C[C@@H]3[C@@H](C[NH+](C)C)[C@@H]3C2)n(C)c1	ZINC000217605291	359013444	/nfs/dbraw/zinc/01/34/44/359013444.db2.gz	BXGASHYKYOZHBL-PHZGNYQRSA-N	2	0	275.396	1.467	50	70		CDIARP
C[C@H](C(=O)N(C)C)N(C)Cc1cc(C[NH+](C)C)cs1	ZINC000218633733	359060070	/nfs/dbraw/zinc/06/00/70/359060070.db2.gz	QLMDYGYREHIRFR-LLVKDONJSA-N	2	0	283.441	1.718	50	70		CDIARP
c1csc(CN2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)c1	ZINC000217154203	358982359	/nfs/dbraw/zinc/98/23/59/358982359.db2.gz	BTSCNPLILYNLCJ-FICVDOATSA-N	2	0	277.437	1.331	50	70		CDIARP
Cc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc[nH+]1	ZINC000218561400	359058386	/nfs/dbraw/zinc/05/83/86/359058386.db2.gz	DLVZATXFNGVXAJ-UHFFFAOYSA-N	2	0	288.395	1.134	50	70		CDIARP
CC(C)=CC[N@H+]1CCCn2nc([C@@H](O)C[NH+](C)C)cc2C1	ZINC000218694796	277324828	/nfs/dbraw/zinc/32/48/28/277324828.db2.gz	VCBYQBJYRWGCSC-INIZCTEOSA-N	2	0	292.427	1.650	50	70		CDIARP
CC(=O)c1ccc(N2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc1	ZINC000217639163	359016196	/nfs/dbraw/zinc/01/61/96/359016196.db2.gz	KNFVRBYULROTMH-PIIMJCKOSA-N	2	0	299.418	1.477	50	70		CDIARP
[NH3+]Cc1ccc(C(=O)NCCCc2ncc[nH]2)cc1	ZINC000159406412	362319141	/nfs/dbraw/zinc/31/91/41/362319141.db2.gz	CKIKIYWAVXNANN-UHFFFAOYSA-N	2	0	258.325	1.231	50	70		CDIARP
OCCC[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1[C@@H]2C[NH2+]C[C@H]12	ZINC000217096539	358979229	/nfs/dbraw/zinc/97/92/29/358979229.db2.gz	DCXZGCYVDDEDFJ-ZSHCYNCHSA-N	2	0	294.826	1.990	50	70		CDIARP
O[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1	ZINC000218118920	359041786	/nfs/dbraw/zinc/04/17/86/359041786.db2.gz	QNALVYRXWXXZLJ-HUUCEWRRSA-N	2	0	268.401	1.133	50	70		CDIARP
C[C@@H](C(=O)N(C)C)N(C)Cc1cc(C[NH+](C)C)cs1	ZINC000218633645	359060206	/nfs/dbraw/zinc/06/02/06/359060206.db2.gz	QLMDYGYREHIRFR-NSHDSACASA-N	2	0	283.441	1.718	50	70		CDIARP
C(=C/c1ccccc1)\CN1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1	ZINC000217660452	359017025	/nfs/dbraw/zinc/01/70/25/359017025.db2.gz	DZUXYNOVDFDWEZ-VQZOXDOBSA-N	2	0	297.446	1.783	50	70		CDIARP