smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[NH+](C)C	ZINC000161312701	307901235	/nfs/dbraw/zinc/90/12/35/307901235.db2.gz	VSCAJPIOKHHWOF-IBGZPJMESA-N	2	0	331.504	3.019	10	70		EGIERP
CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2cccc(F)c2)[C@H](C)C1	ZINC000159764572	206262321	/nfs/dbraw/zinc/26/23/21/206262321.db2.gz	QCDRPBSDODCUOV-YLJYHZDGSA-N	2	0	336.495	3.485	10	70		EGIERP
CCc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)o1	ZINC000159541915	455384130	/nfs/dbraw/zinc/38/41/30/455384130.db2.gz	XGINLIZPZCGBAN-MRXNPFEDSA-N	2	0	342.487	3.230	10	70		EGIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(C)s3)cn2)CC1	ZINC000159461965	455378417	/nfs/dbraw/zinc/37/84/17/455378417.db2.gz	PPIXZEIDRZHKCY-INIZCTEOSA-N	2	0	344.528	3.444	10	70		EGIERP
c1ccc(CC2CC[NH+](CCCC[NH2+][C@@H]3CCCOC3)CC2)cc1	ZINC000159727486	546940442	/nfs/dbraw/zinc/94/04/42/546940442.db2.gz	FEASMMZSBWHWNW-OAQYLSRUSA-N	2	0	330.516	3.490	10	70		EGIERP
C[N@H+](CCN1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Cc1ccc(F)cc1	ZINC000160926479	455513910	/nfs/dbraw/zinc/51/39/10/455513910.db2.gz	QZBYKXULYXHNBJ-WIYYLYMNSA-N	2	0	345.506	3.206	10	70		EGIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccs3)cn2)CC1	ZINC000159496194	455380470	/nfs/dbraw/zinc/38/04/70/455380470.db2.gz	RZLYFKCZJCEVEG-OAHLLOKOSA-N	2	0	330.501	3.136	10	70		EGIERP
CC[N@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)cc1)C(C)C	ZINC000161115804	279235345	/nfs/dbraw/zinc/23/53/45/279235345.db2.gz	PQVIUWVEUMIYMS-FXAWDEMLSA-N	2	0	345.531	3.375	10	70		EGIERP
C[NH+](C)C1CCN(CC[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1	ZINC000160218651	455439818	/nfs/dbraw/zinc/43/98/18/455439818.db2.gz	CQXMMHGRILHHMX-SFHVURJKSA-N	2	0	349.494	3.044	10	70		EGIERP
CN(Cc1ccc(Br)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000161488800	455574563	/nfs/dbraw/zinc/57/45/63/455574563.db2.gz	OYBROMCMSJWDAR-FUNVUKJBSA-N	2	0	327.241	3.303	10	70		EGIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3sccc3C)cn2)CC1	ZINC000159501136	455381610	/nfs/dbraw/zinc/38/16/10/455381610.db2.gz	KMFJKQCJPQCNSL-MRXNPFEDSA-N	2	0	344.528	3.444	10	70		EGIERP
C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1	ZINC000160994714	455521631	/nfs/dbraw/zinc/52/16/31/455521631.db2.gz	BSQSZEHQSOAOKD-DYESRHJHSA-N	2	0	342.483	3.401	10	70		EGIERP
OC[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1	ZINC000161458722	455572191	/nfs/dbraw/zinc/57/21/91/455572191.db2.gz	OQNKOQQLBGUYAT-NRFANRHFSA-N	2	0	338.495	3.059	10	70		EGIERP
C[N@H+](CCN1CC[C@H](C[NH+]2CCCCC2)C1)Cc1ccc(F)cc1	ZINC000159823671	455407368	/nfs/dbraw/zinc/40/73/68/455407368.db2.gz	VTJNQKPEGKMEIC-LJQANCHMSA-N	2	0	333.495	3.065	10	70		EGIERP
CC[NH+]1CCN([C@H](C)C[NH2+]C/C(C)=C/c2ccc(Cl)cc2)CC1	ZINC000159993603	307883411	/nfs/dbraw/zinc/88/34/11/307883411.db2.gz	KQIKFMMCROJNIH-HJUDDPQBSA-N	2	0	335.923	3.359	10	70		EGIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)CCC=C(C)C)cn2)CC1	ZINC000159485092	307874618	/nfs/dbraw/zinc/87/46/18/307874618.db2.gz	ZEFYAUYZKLGBPU-GOSISDBHSA-N	2	0	330.520	3.448	10	70		EGIERP
C[NH+](C)CCC1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1	ZINC000159770765	225274438	/nfs/dbraw/zinc/27/44/38/225274438.db2.gz	AKOWYIRMPWKJKE-SFHVURJKSA-N	2	0	349.906	3.497	10	70		EGIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(C)s3)cn2)CC1	ZINC000159462145	455378398	/nfs/dbraw/zinc/37/83/98/455378398.db2.gz	PPIXZEIDRZHKCY-MRXNPFEDSA-N	2	0	344.528	3.444	10	70		EGIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3sccc3C)cn2)CC1	ZINC000159500983	455381764	/nfs/dbraw/zinc/38/17/64/455381764.db2.gz	KMFJKQCJPQCNSL-INIZCTEOSA-N	2	0	344.528	3.444	10	70		EGIERP
C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1	ZINC000161464679	455572693	/nfs/dbraw/zinc/57/26/93/455572693.db2.gz	NZWLZSFTXLCKRX-FXAWDEMLSA-N	2	0	342.483	3.054	10	70		EGIERP
Cc1cc2c(cc1C)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCCO2	ZINC000160222332	455439878	/nfs/dbraw/zinc/43/98/78/455439878.db2.gz	KKPOHVCBKFZQNO-HXUWFJFHSA-N	2	0	345.531	3.133	10	70		EGIERP
C[C@@H]1CC[N@H+](CCN(C)Cc2ccc(F)cc2)C[C@@H]1n1ccnc1	ZINC000160885832	455508390	/nfs/dbraw/zinc/50/83/90/455508390.db2.gz	LYTMVXKNGDJNDN-APWZRJJASA-N	2	0	330.451	3.037	10	70		EGIERP
C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1	ZINC000161464478	455573071	/nfs/dbraw/zinc/57/30/71/455573071.db2.gz	NZWLZSFTXLCKRX-PXNSSMCTSA-N	2	0	342.483	3.054	10	70		EGIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccccc43)cn2)CC1	ZINC000159480290	307874730	/nfs/dbraw/zinc/87/47/30/307874730.db2.gz	QMFWMQIEPNPFII-HXUWFJFHSA-N	2	0	336.483	3.001	10	70		EGIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)CCC=C(C)C)cn2)CC1	ZINC000159484969	455379623	/nfs/dbraw/zinc/37/96/23/455379623.db2.gz	ZEFYAUYZKLGBPU-SFHVURJKSA-N	2	0	330.520	3.448	10	70		EGIERP
Cc1cc2c(cc1C)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCCO2	ZINC000160222221	455439797	/nfs/dbraw/zinc/43/97/97/455439797.db2.gz	KKPOHVCBKFZQNO-FQEVSTJZSA-N	2	0	345.531	3.133	10	70		EGIERP
Cc1cccc2nc(CNC3CC[NH+](CCc4ccccc4)CC3)cn21	ZINC000160303514	455445993	/nfs/dbraw/zinc/44/59/93/455445993.db2.gz	DGEZVKWNUCQRQR-UHFFFAOYSA-N	2	0	348.494	3.439	10	70		EGIERP
c1ccc(CC2CC[NH+](CCCC[NH2+][C@H]3CCCOC3)CC2)cc1	ZINC000159727629	546940705	/nfs/dbraw/zinc/94/07/05/546940705.db2.gz	FEASMMZSBWHWNW-NRFANRHFSA-N	2	0	330.516	3.490	10	70		EGIERP
C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCC[NH+]1CCN(C)CC1	ZINC000159984909	546942926	/nfs/dbraw/zinc/94/29/26/546942926.db2.gz	JUHNFBGBNVPVCS-BMRADRMJSA-N	2	0	335.923	3.361	10	70		EGIERP
C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1	ZINC000161412749	206345807	/nfs/dbraw/zinc/34/58/07/206345807.db2.gz	KFPMWEGYJDZGQM-PXNSSMCTSA-N	2	0	342.483	3.054	10	70		EGIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccs3)cn2)CC1	ZINC000159496031	455380636	/nfs/dbraw/zinc/38/06/36/455380636.db2.gz	RZLYFKCZJCEVEG-HNNXBMFYSA-N	2	0	330.501	3.136	10	70		EGIERP
CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCOC(C)(C)C2)CC1	ZINC000160459947	307890312	/nfs/dbraw/zinc/89/03/12/307890312.db2.gz	BMCXFFJMGFNWHZ-LJQANCHMSA-N	2	0	345.531	3.266	10	70		EGIERP
C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CCN(CC[NH+](C)C)CC1	ZINC000159963803	455419032	/nfs/dbraw/zinc/41/90/32/455419032.db2.gz	OMFOIWKBXUTKOS-JQIJEIRASA-N	2	0	335.923	3.359	10	70		EGIERP
Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CCCO2	ZINC000160711828	455491190	/nfs/dbraw/zinc/49/11/90/455491190.db2.gz	ORHHNLTYZOSOFO-MJGOQNOKSA-N	2	0	332.488	3.035	10	70		EGIERP
CCC(CC)(C[NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000161294114	455556730	/nfs/dbraw/zinc/55/67/30/455556730.db2.gz	YFKNPRPBQFENGB-YQQQUEKLSA-N	2	0	343.515	3.063	10	70		EGIERP
C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1	ZINC000161413143	455567967	/nfs/dbraw/zinc/56/79/67/455567967.db2.gz	KFPMWEGYJDZGQM-YLJYHZDGSA-N	2	0	342.483	3.054	10	70		EGIERP
CCc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)o1	ZINC000159542042	455383931	/nfs/dbraw/zinc/38/39/31/455383931.db2.gz	XGINLIZPZCGBAN-INIZCTEOSA-N	2	0	342.487	3.230	10	70		EGIERP
CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@H](C)C1	ZINC000159764443	528669632	/nfs/dbraw/zinc/66/96/32/528669632.db2.gz	QCDRPBSDODCUOV-XLIONFOSSA-N	2	0	336.495	3.485	10	70		EGIERP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4ccccc43)cn2)CC1	ZINC000159480435	307874704	/nfs/dbraw/zinc/87/47/04/307874704.db2.gz	QMFWMQIEPNPFII-FQEVSTJZSA-N	2	0	336.483	3.001	10	70		EGIERP
CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCOC(C)(C)C2)CC1	ZINC000160460045	307890341	/nfs/dbraw/zinc/89/03/41/307890341.db2.gz	BMCXFFJMGFNWHZ-IBGZPJMESA-N	2	0	345.531	3.266	10	70		EGIERP
C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1	ZINC000161413011	455567793	/nfs/dbraw/zinc/56/77/93/455567793.db2.gz	KFPMWEGYJDZGQM-FXAWDEMLSA-N	2	0	342.483	3.054	10	70		EGIERP
C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1	ZINC000160994594	152770624	/nfs/dbraw/zinc/77/06/24/152770624.db2.gz	BSQSZEHQSOAOKD-LAUBAEHRSA-N	2	0	342.483	3.401	10	70		EGIERP
C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1	ZINC000161464781	455572718	/nfs/dbraw/zinc/57/27/18/455572718.db2.gz	NZWLZSFTXLCKRX-YLJYHZDGSA-N	2	0	342.483	3.054	10	70		EGIERP
C[N@H+](CCN1CC[NH+](C2CCCCC2)CC1)Cc1ccc(F)cc1	ZINC000160292790	455445032	/nfs/dbraw/zinc/44/50/32/455445032.db2.gz	PKVRQJULUDVRDJ-UHFFFAOYSA-N	2	0	333.495	3.208	10	70		EGIERP
C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1	ZINC000161464578	455572824	/nfs/dbraw/zinc/57/28/24/455572824.db2.gz	NZWLZSFTXLCKRX-XLIONFOSSA-N	2	0	342.483	3.054	10	70		EGIERP
CC[NH+]1CCN([C@@H](C)C[NH2+]C/C(C)=C/c2ccc(Cl)cc2)CC1	ZINC000159993466	455421654	/nfs/dbraw/zinc/42/16/54/455421654.db2.gz	KQIKFMMCROJNIH-MAUBAPBLSA-N	2	0	335.923	3.359	10	70		EGIERP
C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1	ZINC000160218783	455440014	/nfs/dbraw/zinc/44/00/14/455440014.db2.gz	CQXMMHGRILHHMX-GOSISDBHSA-N	2	0	349.494	3.044	10	70		EGIERP
C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1	ZINC000161412871	455567448	/nfs/dbraw/zinc/56/74/48/455567448.db2.gz	KFPMWEGYJDZGQM-XLIONFOSSA-N	2	0	342.483	3.054	10	70		EGIERP
C[C@H]1CC[N@H+](CCN(C)Cc2ccc(F)cc2)C[C@@H]1n1ccnc1	ZINC000160885945	455508230	/nfs/dbraw/zinc/50/82/30/455508230.db2.gz	LYTMVXKNGDJNDN-LPHOPBHVSA-N	2	0	330.451	3.037	10	70		EGIERP
CC[NH+]1CCN(CCC[NH2+]C/C(C)=C/c2ccc(Cl)cc2)CC1	ZINC000159984142	455420371	/nfs/dbraw/zinc/42/03/71/455420371.db2.gz	ZYZYKTYSXCHWKA-BMRADRMJSA-N	2	0	335.923	3.361	10	70		EGIERP
CC[N@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)cc1)C(C)C	ZINC000161115937	279235950	/nfs/dbraw/zinc/23/59/50/279235950.db2.gz	PQVIUWVEUMIYMS-PXNSSMCTSA-N	2	0	345.531	3.375	10	70		EGIERP
Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CCCO2	ZINC000160711720	292367565	/nfs/dbraw/zinc/36/75/65/292367565.db2.gz	ORHHNLTYZOSOFO-IEBWSBKVSA-N	2	0	332.488	3.035	10	70		EGIERP
C[NH+](C)CCC1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1	ZINC000159770898	225273528	/nfs/dbraw/zinc/27/35/28/225273528.db2.gz	AKOWYIRMPWKJKE-GOSISDBHSA-N	2	0	349.906	3.497	10	70		EGIERP
CCC[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[NH+](C)C	ZINC000161312840	455558181	/nfs/dbraw/zinc/55/81/81/455558181.db2.gz	VSCAJPIOKHHWOF-LJQANCHMSA-N	2	0	331.504	3.019	10	70		EGIERP