smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)CCNC2(C(N)=O)CCCCC2)cc1	ZINC000160658293	367025187	/nfs/dbraw/zinc/02/51/87/367025187.db2.gz	WHKQFVLQCMLUGR-UHFFFAOYSA-N	0	3	288.391	2.346	50	70		CEIAHN
CC[C@H]1[C@@H](c2ccc(C)cc2)CCN1C(=O)CNC	ZINC000161259775	344463515	/nfs/dbraw/zinc/46/35/15/344463515.db2.gz	XAVMBLCNHPHSNZ-CABCVRRESA-N	0	3	260.381	2.309	50	70		CEIAHN
O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1cnc[nH]1	ZINC000216937940	394452910	/nfs/dbraw/zinc/45/29/10/394452910.db2.gz	LLDLAXXZOZACEW-MRXNPFEDSA-N	0	3	298.390	2.367	50	70		CEIAHN
C[C@@H](N)C(=O)N1CCS[C@H](C)[C@@H]1c1ccccc1	ZINC000161183558	278304112	/nfs/dbraw/zinc/30/41/12/278304112.db2.gz	WDFLAGBGGBCVFL-NQBHXWOUSA-N	0	3	264.394	2.039	50	70		CEIAHN
Cn1nccc1C1CCN(CCc2ccncc2)CC1	ZINC000160650709	527599691	/nfs/dbraw/zinc/59/96/91/527599691.db2.gz	KADWSZKUHOREOK-UHFFFAOYSA-N	0	3	270.380	2.237	50	70		CEIAHN
CCN1CC[C@H](NC(=O)CSc2ccccc2C)C1	ZINC000218465322	370209982	/nfs/dbraw/zinc/20/99/82/370209982.db2.gz	QRCGFYKPIGQZOG-ZDUSSCGKSA-N	0	3	278.421	2.298	50	70		CEIAHN
CC[C@H](N)C(=O)N1C[C@H](c2ccccc2C)OC[C@@H]1C	ZINC000161470368	367089255	/nfs/dbraw/zinc/08/92/55/367089255.db2.gz	WCDSXEGDEWFLSD-AEGPPILISA-N	0	3	276.380	2.021	50	70		CEIAHN
O=C(CN1CCCCCCC1)NCCc1cccnc1	ZINC000217383841	370194983	/nfs/dbraw/zinc/19/49/83/370194983.db2.gz	MCWAKKAMZWNHKH-UHFFFAOYSA-N	0	3	275.396	2.006	50	70		CEIAHN
CC[C@H](N)C(=O)N1C[C@@H](c2ccccc2C)OC[C@H]1C	ZINC000161470665	395064409	/nfs/dbraw/zinc/06/44/09/395064409.db2.gz	WCDSXEGDEWFLSD-SNPRPXQTSA-N	0	3	276.380	2.021	50	70		CEIAHN
CO[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccc(N(C)C)nc1)C2	ZINC000217780546	262344573	/nfs/dbraw/zinc/34/45/73/262344573.db2.gz	GVHNMXLCMITZGN-FOLVSLTJSA-N	0	3	275.396	2.004	50	70		CEIAHN
CN(CCc1ccncc1)C(=O)CN1CCCCCCC1	ZINC000217196861	400306728	/nfs/dbraw/zinc/30/67/28/400306728.db2.gz	HDNYMBVFLUTAIB-UHFFFAOYSA-N	0	3	289.423	2.349	50	70		CEIAHN
CC[C@H](N)C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C	ZINC000161293819	280874166	/nfs/dbraw/zinc/87/41/66/280874166.db2.gz	RMHVRTBOWQQXIN-GUTXKFCHSA-N	0	3	260.381	2.437	50	70		CEIAHN
CC[C@H](N)C(=O)N1C[C@H](c2ccccc2C)OC[C@H]1C	ZINC000161470566	367089297	/nfs/dbraw/zinc/08/92/97/367089297.db2.gz	WCDSXEGDEWFLSD-VHDGCEQUSA-N	0	3	276.380	2.021	50	70		CEIAHN
Cc1ncsc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2	ZINC000159648203	366935708	/nfs/dbraw/zinc/93/57/08/366935708.db2.gz	VDJOZAALXLOPET-DRZSPHRISA-N	0	3	264.394	2.499	50	70		CEIAHN
O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1cnc[nH]1	ZINC000216937922	370191738	/nfs/dbraw/zinc/19/17/38/370191738.db2.gz	LLDLAXXZOZACEW-INIZCTEOSA-N	0	3	298.390	2.367	50	70		CEIAHN
CCc1ccc(C(=O)NC[C@H]2CCCN2C(C)C)[nH]1	ZINC000218758592	394457090	/nfs/dbraw/zinc/45/70/90/394457090.db2.gz	IRDHSNTYOIWZEX-CYBMUJFWSA-N	0	3	263.385	2.180	50	70		CEIAHN
Cc1nn(C)c(C)c1CN1CC[C@H](CNc2ccccn2)C1	ZINC000160910136	367043070	/nfs/dbraw/zinc/04/30/70/367043070.db2.gz	IZYZXFMFZVNLJV-OAHLLOKOSA-N	0	3	299.422	2.366	50	70		CEIAHN
C[C@H](N)C(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F	ZINC000161042167	367050665	/nfs/dbraw/zinc/05/06/65/367050665.db2.gz	KCYHOHPIQRSNMS-OUJBWJOFSA-N	0	3	250.317	2.082	50	70		CEIAHN
C[C@H](N)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1F	ZINC000161042310	367050948	/nfs/dbraw/zinc/05/09/48/367050948.db2.gz	KCYHOHPIQRSNMS-NRUUGDAUSA-N	0	3	250.317	2.082	50	70		CEIAHN
Cc1nccc(NC(=O)N(C)CCN(C)C)c1Cl	ZINC000160014164	344457059	/nfs/dbraw/zinc/45/70/59/344457059.db2.gz	WXUPRGFQFZVPOF-UHFFFAOYSA-N	0	3	270.764	2.069	50	70		CEIAHN
C[C@@H](N)C(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1	ZINC000161183698	278304055	/nfs/dbraw/zinc/30/40/55/278304055.db2.gz	WDFLAGBGGBCVFL-NTZNESFSSA-N	0	3	264.394	2.039	50	70		CEIAHN
Cn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N(C)C3)c2ccccc21	ZINC000217362865	370195678	/nfs/dbraw/zinc/19/56/78/370195678.db2.gz	KFOBGTLGIMQTKI-KBPBESRZSA-N	0	3	297.402	2.345	50	70		CEIAHN
CC[C@H](N)C(=O)N1CCc2ccc(Br)cc21	ZINC000159995422	395060449	/nfs/dbraw/zinc/06/04/49/395060449.db2.gz	QYFRWOHBSRJFOJ-JTQLQIEISA-N	0	3	283.169	2.076	50	70		CEIAHN
CC[C@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)CNC	ZINC000161259534	344463419	/nfs/dbraw/zinc/46/34/19/344463419.db2.gz	XAVMBLCNHPHSNZ-GJZGRUSLSA-N	0	3	260.381	2.309	50	70		CEIAHN
COc1ccc(Cl)cc1/C=C/C(=O)N1CCCNCC1	ZINC000160856621	367038552	/nfs/dbraw/zinc/03/85/52/367038552.db2.gz	LLNPGGAWIGWTHA-ZZXKWVIFSA-N	0	3	294.782	2.184	50	70		CEIAHN
CC[C@H](N)C(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C	ZINC000161293966	367075524	/nfs/dbraw/zinc/07/55/24/367075524.db2.gz	RMHVRTBOWQQXIN-YDHLFZDLSA-N	0	3	260.381	2.437	50	70		CEIAHN
O=c1[nH]c2cc3c(cc2cc1CN1CCCCC1)OCO3	ZINC000218523071	370209678	/nfs/dbraw/zinc/20/96/78/370209678.db2.gz	MNTKNYVXMUGWAP-UHFFFAOYSA-N	0	3	286.331	2.243	50	70		CEIAHN
CC[C@H](N)C(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C	ZINC000161294229	367076015	/nfs/dbraw/zinc/07/60/15/367076015.db2.gz	RMHVRTBOWQQXIN-IPYPFGDCSA-N	0	3	260.381	2.437	50	70		CEIAHN
C[C@@H](N)C(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1	ZINC000161183931	395063221	/nfs/dbraw/zinc/06/32/21/395063221.db2.gz	WDFLAGBGGBCVFL-MDZLAQPJSA-N	0	3	264.394	2.039	50	70		CEIAHN
CC[C@@H]1[C@@H](c2ccc(C)cc2)CCN1C(=O)CNC	ZINC000161259651	344463429	/nfs/dbraw/zinc/46/34/29/344463429.db2.gz	XAVMBLCNHPHSNZ-HUUCEWRRSA-N	0	3	260.381	2.309	50	70		CEIAHN
CCN1CC[C@@H](NC(=O)CSc2ccccc2C)C1	ZINC000218465243	370209871	/nfs/dbraw/zinc/20/98/71/370209871.db2.gz	QRCGFYKPIGQZOG-CYBMUJFWSA-N	0	3	278.421	2.298	50	70		CEIAHN
Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N(C)C3)c(C)o1	ZINC000217679399	394455341	/nfs/dbraw/zinc/45/53/41/394455341.db2.gz	XQUFCVOOCQJKDB-STQMWFEESA-N	0	3	262.353	2.063	50	70		CEIAHN
C[C@H](N)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F	ZINC000161042042	395062728	/nfs/dbraw/zinc/06/27/28/395062728.db2.gz	KCYHOHPIQRSNMS-GBIKHYSHSA-N	0	3	250.317	2.082	50	70		CEIAHN
CN1CC[C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@H]21	ZINC000218277675	370208436	/nfs/dbraw/zinc/20/84/36/370208436.db2.gz	SSZZURRQYPUMNR-WCQYABFASA-N	0	3	298.308	2.482	50	70		CEIAHN
CC/C(C)=C/CCN1CCCn2nc(CO)cc2C1	ZINC000217029244	370192274	/nfs/dbraw/zinc/19/22/74/370192274.db2.gz	SIVNNIABVXDTLO-AWNIVKPZSA-N	0	3	263.385	2.328	50	70		CEIAHN
c1nc(CN2CC[C@@H](N3CCCCC3)C2)cs1	ZINC000217108618	400306662	/nfs/dbraw/zinc/30/66/62/400306662.db2.gz	LSWIDEGSVQDOQC-CYBMUJFWSA-N	0	3	251.399	2.203	50	70		CEIAHN
C[C@H](N)C(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F	ZINC000161042472	367051356	/nfs/dbraw/zinc/05/13/56/367051356.db2.gz	KCYHOHPIQRSNMS-KWBADKCTSA-N	0	3	250.317	2.082	50	70		CEIAHN
CC[C@H](N)C(=O)N(Cc1ccccc1)CC1CCOCC1	ZINC000159658403	366938032	/nfs/dbraw/zinc/93/80/32/366938032.db2.gz	CBHUTBVIHPADHA-INIZCTEOSA-N	0	3	290.407	2.179	50	70		CEIAHN
c1nc(CN2CC[C@H](N3CCCCC3)C2)cs1	ZINC000217108641	400306769	/nfs/dbraw/zinc/30/67/69/400306769.db2.gz	LSWIDEGSVQDOQC-ZDUSSCGKSA-N	0	3	251.399	2.203	50	70		CEIAHN
Cc1ncsc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	ZINC000159648062	366936031	/nfs/dbraw/zinc/93/60/31/366936031.db2.gz	VDJOZAALXLOPET-UHTWSYAYSA-N	0	3	264.394	2.499	50	70		CEIAHN
Cc1ccc(N2CCCC2)c(C(=O)N2CCCNCC2)c1	ZINC000160861835	188495607	/nfs/dbraw/zinc/49/56/07/188495607.db2.gz	HKTITBIIRAYTPG-UHFFFAOYSA-N	0	3	287.407	2.031	50	70		CEIAHN
Fc1cnc(N2CCC[C@H]2CN2CCCCC2)nc1	ZINC000160444305	395060997	/nfs/dbraw/zinc/06/09/97/395060997.db2.gz	COAVKWUHMBGAFN-ZDUSSCGKSA-N	0	3	264.348	2.070	50	70		CEIAHN
Cc1nn(C)c(C)c1CN1CC[C@@H](CNc2ccccn2)C1	ZINC000160910268	367043048	/nfs/dbraw/zinc/04/30/48/367043048.db2.gz	IZYZXFMFZVNLJV-HNNXBMFYSA-N	0	3	299.422	2.366	50	70		CEIAHN
C[C@@H](N)C(=O)N1CCS[C@H](C)[C@H]1c1ccccc1	ZINC000161183813	296014246	/nfs/dbraw/zinc/01/42/46/296014246.db2.gz	WDFLAGBGGBCVFL-WZRBSPASSA-N	0	3	264.394	2.039	50	70		CEIAHN
CCc1nccn1CCCNC(=O)c1n[nH]c2ccccc21	ZINC000217470700	370196645	/nfs/dbraw/zinc/19/66/45/370196645.db2.gz	ACROHNDNGGSRBR-UHFFFAOYSA-N	0	3	297.362	2.142	50	70		CEIAHN
CCc1ccc(C(=O)NC[C@@H]2CCCN2C(C)C)[nH]1	ZINC000218758556	394456956	/nfs/dbraw/zinc/45/69/56/394456956.db2.gz	IRDHSNTYOIWZEX-ZDUSSCGKSA-N	0	3	263.385	2.180	50	70		CEIAHN
CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[C@H]3OC)cn1	ZINC000216958205	370192006	/nfs/dbraw/zinc/19/20/06/370192006.db2.gz	BUGSPYWHIZEEON-FOLVSLTJSA-N	0	3	276.380	2.337	50	70		CEIAHN
CC[C@H](N)C(=O)N1C[C@H](c2ccccc2C)C[C@H]1C	ZINC000161294103	367075460	/nfs/dbraw/zinc/07/54/60/367075460.db2.gz	RMHVRTBOWQQXIN-NFAWXSAZSA-N	0	3	260.381	2.437	50	70		CEIAHN
Fc1cnc(N2CCC[C@@H]2CN2CCCCC2)nc1	ZINC000160444161	283033049	/nfs/dbraw/zinc/03/30/49/283033049.db2.gz	COAVKWUHMBGAFN-CYBMUJFWSA-N	0	3	264.348	2.070	50	70		CEIAHN
COC(CN1CCN(C2CCC(C(C)C)CC2)CC1)OC	ZINC000161497038	344464187	/nfs/dbraw/zinc/46/41/87/344464187.db2.gz	GTPQBMBLVITSKD-UHFFFAOYSA-N	0	3	298.471	2.438	50	70		CEIAHN
CC[C@@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)CNC	ZINC000161259405	344463638	/nfs/dbraw/zinc/46/36/38/344463638.db2.gz	XAVMBLCNHPHSNZ-LSDHHAIUSA-N	0	3	260.381	2.309	50	70		CEIAHN
COC(CN1CCCN(c2ccc(C)cc2)CC1)OC	ZINC000160646001	367023713	/nfs/dbraw/zinc/02/37/13/367023713.db2.gz	OQSWRQYMIHCGGW-UHFFFAOYSA-N	0	3	278.396	2.126	50	70		CEIAHN
O=C(CCC1CCCCC1)NCC1CCN(CCO)CC1	ZINC000160631895	526406717	/nfs/dbraw/zinc/40/67/17/526406717.db2.gz	OFEFOMPCEQUSBC-UHFFFAOYSA-N	0	3	296.455	2.167	50	70		CEIAHN
CC[C@H](N)C(=O)N1C[C@@H](c2ccccc2C)OC[C@@H]1C	ZINC000161470466	367089475	/nfs/dbraw/zinc/08/94/75/367089475.db2.gz	WCDSXEGDEWFLSD-QEJZJMRPSA-N	0	3	276.380	2.021	50	70		CEIAHN
CCc1nn(C)c(Cl)c1CN1C[C@H]2CC[C@@H](C1)[C@H]2OC	ZINC000217983649	370202881	/nfs/dbraw/zinc/20/28/81/370202881.db2.gz	XWBYZPJHYQOTNH-YABSGUDNSA-N	0	3	297.830	2.493	50	70		CEIAHN