smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C1=C[C@@H]2c3ccc4cnccc4c3NC[C@@H]2C1	ZINC000001634800	188455490	/nfs/dbraw/zinc/45/54/90/188455490.db2.gz	UGOQHQVZCSABRN-JQWIXIFHSA-N	0	0	222.291	3.320	1	10		BGCFRN
COc1ccc(/N=N/c2c(C)n[nH]c2C)cc1	ZINC000006417734	175049791	/nfs/dbraw/zinc/04/97/91/175049791.db2.gz	CJXGVQLGAWTKFC-FOCLMDBBSA-N	0	0	230.271	3.451	1	10		BGCFRN
Cc1cccc(/N=N\c2cnc(N)s2)c1	ZINC000013119584	179003382	/nfs/dbraw/zinc/00/33/82/179003382.db2.gz	ULNIXBAKBYRJCA-YPKPFQOOSA-N	0	0	218.285	3.449	1	10		BGCFRN
Cc1ccc(C=O)c2c(O)c(O)c(C(C)C)cc12	ZINC000015151125	560228936	/nfs/dbraw/zinc/22/89/36/560228936.db2.gz	UBISCFIISWFGTJ-UHFFFAOYSA-N	0	0	244.290	3.495	1	10	biogenic,in-vitro	BGCFRN
CN(C)/N=N/c1ccccc1C(F)(F)F	ZINC000017020358	172353571	/nfs/dbraw/zinc/35/35/71/172353571.db2.gz	MTBRFWITEKOXHH-BUHFOSPRSA-N	0	0	217.194	3.266	1	10		BGCFRN
COC(=O)c1ccccc1/N=N/N(C)CC(C)C	ZINC000018181579	173898323	/nfs/dbraw/zinc/89/83/23/173898323.db2.gz	LPJLYRBGBDGBEB-CCEZHUSRSA-N	0	0	249.314	3.060	1	10		BGCFRN
O=C(C(=O)c1cccc(F)c1)c1cccc(F)c1	ZINC000028713882	181853675	/nfs/dbraw/zinc/85/36/75/181853675.db2.gz	NIOZEPOIIGVTTO-UHFFFAOYSA-N	0	0	246.212	3.030	1	10	in-vivo	BGCFRN
CSC(=S)NCc1cc2ccccc2o1	ZINC000028866220	175441612	/nfs/dbraw/zinc/44/16/12/175441612.db2.gz	OGORFFQKSKZWEU-UHFFFAOYSA-N	0	0	237.349	3.170	1	10		BGCFRN
Cc1cnc(/C=C/c2ccc(N(C)C)cc2)cn1	ZINC000036381161	187258929	/nfs/dbraw/zinc/25/89/29/187258929.db2.gz	SPNXNWGXTFOEKA-QPJJXVBHSA-N	0	0	239.322	3.021	1	10		BGCFRN
Oc1ccc(C2=NN(c3ccccc3)CC2)cc1	ZINC000038235451	183267400	/nfs/dbraw/zinc/26/74/00/183267400.db2.gz	FYJQHGFGZUCXNS-UHFFFAOYSA-N	0	0	238.290	3.007	1	10		BGCFRN
C(=C/N1CCSCC1)\N=N\c1ccccc1	ZINC000040424266	166226343	/nfs/dbraw/zinc/22/63/43/166226343.db2.gz	WAGAPELAEGWZMO-ZGDGPSKSSA-N	0	0	233.340	3.290	1	10		BGCFRN
CN1C=C(/N=N/c2ccccc2)CCC1	ZINC000040829494	172973013	/nfs/dbraw/zinc/97/30/13/172973013.db2.gz	KNHHJXQLCOEZHX-BUHFOSPRSA-N	0	0	201.273	3.337	1	10		BGCFRN
CN1CCC/C1=C\N=N\c1ccc(F)cc1	ZINC000040846153	173001116	/nfs/dbraw/zinc/00/11/16/173001116.db2.gz	FFDRGKMYKRGPEB-HFCGUZMISA-N	0	0	219.263	3.476	1	10		BGCFRN
Oc1ccc(/C=C/c2cccc(F)c2)cc1O	ZINC000040914172	183266510	/nfs/dbraw/zinc/26/65/10/183266510.db2.gz	XDORUBCJWRPCMU-SNAWJCMRSA-N	0	0	230.238	3.407	1	10		BGCFRN
Oc1ccc(/C=C/c2ccc(F)cc2)cc1O	ZINC000040914174	183265449	/nfs/dbraw/zinc/26/54/49/183265449.db2.gz	ANQYQQWJSOCXJC-OWOJBTEDSA-N	0	0	230.238	3.407	1	10		BGCFRN
CN1C=C(/N=N/c2ccc(F)cc2)CCC1	ZINC000040915396	172974006	/nfs/dbraw/zinc/97/40/06/172974006.db2.gz	RYCJDTDYJFAPAF-CCEZHUSRSA-N	0	0	219.263	3.476	1	10		BGCFRN
CN1CCC/C1=C\N=N\c1ccccc1	ZINC000040918170	173002364	/nfs/dbraw/zinc/00/23/64/173002364.db2.gz	DYJVCRFIDJTHHA-HBKPYOMSSA-N	0	0	201.273	3.337	1	10		BGCFRN
CN1CCC/C1=C\N=N\c1cccc([N+](=O)[O-])c1	ZINC000040918393	173001898	/nfs/dbraw/zinc/00/18/98/173001898.db2.gz	QIZKVLYSDLZGGL-KAQIVPQOSA-N	0	0	246.270	3.246	1	10		BGCFRN
C(=C/N1CCCC1)\N=N\c1ccccc1	ZINC000040951655	166226206	/nfs/dbraw/zinc/22/62/06/166226206.db2.gz	JXJUWGPKUBWBFP-ZOBWXTBZSA-N	0	0	201.273	3.337	1	10		BGCFRN
COc1ccc(/N=N/C=C2\CCCN2C)cc1	ZINC000040980429	175050141	/nfs/dbraw/zinc/05/01/41/175050141.db2.gz	QPQXOZUIXZSJKT-CXQIITPCSA-N	0	0	231.299	3.346	1	10		BGCFRN
Cc1cc2c(o1)-c1c(C)cc(C)cc1C(=O)C2=O	ZINC000045285660	177880614	/nfs/dbraw/zinc/88/06/14/177880614.db2.gz	HCZXKXJRWZQTSV-UHFFFAOYSA-N	0	0	240.258	3.251	1	10		BGCFRN
Oc1cc2c(cc1O)-c1[nH]c3ccccc3c1C2	ZINC000045350030	183262530	/nfs/dbraw/zinc/26/25/30/183262530.db2.gz	YDURXESSACUHKN-UHFFFAOYSA-N	0	0	237.258	3.150	1	10		BGCFRN
Oc1ccc2c(c1O)Cc1c3ccccc3[nH]c1-2	ZINC000045356684	183283332	/nfs/dbraw/zinc/28/33/32/183283332.db2.gz	RQSKTJRARCWUOU-UHFFFAOYSA-N	0	0	237.258	3.150	1	10		BGCFRN
CN1CCC/C1=C\N=N\c1ccc([N+](=O)[O-])cc1	ZINC000058576287	173001973	/nfs/dbraw/zinc/00/19/73/173001973.db2.gz	FKXQSMKIKWKQKW-KAQIVPQOSA-N	0	0	246.270	3.246	1	10		BGCFRN
Oc1ccc(CCc2ccc(F)cc2)cc1O	ZINC000064447226	183268607	/nfs/dbraw/zinc/26/86/07/183268607.db2.gz	DXJSPFXEFULYPV-UHFFFAOYSA-N	0	0	232.254	3.022	1	10		BGCFRN
Oc1ccc(-c2sccc2Cl)cc1O	ZINC000072176107	183266137	/nfs/dbraw/zinc/26/61/37/183266137.db2.gz	UIHFCFOZDWKTFT-UHFFFAOYSA-N	0	0	226.684	3.480	1	10		BGCFRN
Cc1cc2c(c(C)c1)NC(=O)C2N=NC(N)=S	ZINC000100888972	188504007	/nfs/dbraw/zinc/50/40/07/188504007.db2.gz	HTDJZMISNHTPTM-CCEZHUSRSA-N	0	0	248.311	3.439	1	10		BGCFRN
COc1ccc(Cl)cc1/N=N\c1ncc[nH]1	ZINC000101171814	175119266	/nfs/dbraw/zinc/11/92/66/175119266.db2.gz	IXQGZPLNCYHNKT-PFONDFGASA-N	0	0	236.662	3.487	1	10		BGCFRN
COc1ccccc1/N=N\c1c(C)n[nH]c1C	ZINC000101389964	175315163	/nfs/dbraw/zinc/31/51/63/175315163.db2.gz	QCGISKLKAPGJMY-NXVVXOECSA-N	0	0	230.271	3.451	1	10		BGCFRN
CC(=O)Nc1cccc(/N=N\N2CCCCC2)c1	ZINC000101457723	191064091	/nfs/dbraw/zinc/06/40/91/191064091.db2.gz	DBDQMYOTAIAXQX-NXVVXOECSA-N	0	0	246.314	3.130	1	10		BGCFRN
CC1=C(NNc2ccc(C)cc2C)C(=O)N=N1	ZINC000101474811	178359549	/nfs/dbraw/zinc/35/95/49/178359549.db2.gz	GEZIHOMMAKRDTM-CCEZHUSRSA-N	0	0	230.271	3.456	1	10		BGCFRN
COc1ccc(/N=N\c2c(C)n[nH]c2C)cc1	ZINC000102704461	175050521	/nfs/dbraw/zinc/05/05/21/175050521.db2.gz	CJXGVQLGAWTKFC-NXVVXOECSA-N	0	0	230.271	3.451	1	10		BGCFRN
CC(=O)[C@@]1(/N=N/c2ccccc2Cl)N=C1C	ZINC000103186846	188150806	/nfs/dbraw/zinc/15/08/06/188150806.db2.gz	NLTLJRJMBXVWHA-BFWGRDPESA-N	0	0	235.674	3.184	1	10		BGCFRN
CC(=O)[C@@]1(/N=N/c2cccc(Cl)c2)N=C1C	ZINC000103186850	188150353	/nfs/dbraw/zinc/15/03/53/188150353.db2.gz	YSNOQQRUKZYGLN-BFWGRDPESA-N	0	0	235.674	3.184	1	10		BGCFRN
Oc1cc2ccccc2cc1Cn1cccc1	ZINC000103216651	183263320	/nfs/dbraw/zinc/26/33/20/183263320.db2.gz	KPPHOUJIULBRGM-UHFFFAOYSA-N	0	0	223.275	3.395	1	10		BGCFRN
CC(C)=CC[C@@H]1CC(=O)c2ccccc2C1=O	ZINC000103584359	290777375	/nfs/dbraw/zinc/77/73/75/290777375.db2.gz	CWIWSAPEOCRNMD-LLVKDONJSA-N	0	0	228.291	3.428	1	10	biogenic,in-vitro	BGCFRN
CN(C)/N=N\c1ccnc2c(Cl)cccc12	ZINC000105234829	172353743	/nfs/dbraw/zinc/35/37/43/172353743.db2.gz	ZVOHOMZHLZJDQY-PFONDFGASA-N	0	0	234.690	3.449	1	10		BGCFRN
CN(C)/N=N\c1ccnc2ccc(Cl)cc12	ZINC000169314485	172353787	/nfs/dbraw/zinc/35/37/87/172353787.db2.gz	KBOUCRMNRAXPCB-PFONDFGASA-N	0	0	234.690	3.449	1	10		BGCFRN
CN(C)/N=N\c1ccnc2cc(Cl)ccc12	ZINC000169314486	172353101	/nfs/dbraw/zinc/35/31/01/172353101.db2.gz	TYKHFZVHSJFUBM-PFONDFGASA-N	0	0	234.690	3.449	1	10		BGCFRN
O=[N+]([O-])c1ccc(CS2=CC=CC=C2)cc1	ZINC000205458400	368404630	/nfs/dbraw/zinc/40/46/30/368404630.db2.gz	DCEIEWJLVDPUGR-UHFFFAOYSA-N	0	0	233.292	3.249	2	10		BGCFRN