smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ccccc2NC12NNC(=S)NN2	ZINC000001508750	182845577	/nfs/dbraw/zinc/84/55/77/182845577.db2.gz	SQVUCLFGOGFWRI-UHFFFAOYSA-N	0	0	235.272	-0.565	40	10		BBCBRN
CC(=O)N(C)C=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000001559006	190972008	/nfs/dbraw/zinc/97/20/08/190972008.db2.gz	VZHBQRQAWLXDDZ-UHFFFAOYSA-N	0	0	239.231	-0.601	40	10		BBCBRN
CCOC=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000001559007	170338357	/nfs/dbraw/zinc/33/83/57/170338357.db2.gz	NXRPCAJOTOQCER-UHFFFAOYSA-N	0	0	212.205	-0.043	40	10		BBCBRN
CN(C)c1nc(N(C)C)nc(N(C)C=O)n1	ZINC000001613992	342705996	/nfs/dbraw/zinc/70/59/96/342705996.db2.gz	ZCVQWJNGQNVZRH-UHFFFAOYSA-N	0	0	224.268	-0.404	40	10		BBCBRN
C1CN(/N=N/N2CCOCC2)CCO1	ZINC000001670592	383921555	/nfs/dbraw/zinc/92/15/55/383921555.db2.gz	MCDKUJUVZJDREQ-MDZDMXLPSA-N	0	0	200.242	-0.067	40	10		BBCBRN
CC(=O)N[C@@H](CCC(=O)C[N+]#N)C(=O)[O-]	ZINC000004215742	187247310	/nfs/dbraw/zinc/24/73/10/187247310.db2.gz	WBSWOKCKZUNHQV-ZETCQYMHSA-N	0	0	213.193	-0.774	40	10	in-man	BBCBRN
[N-]=[N+]=NC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](N=[N+]=[N-])[C@H]1O	ZINC000004532531	346604030	/nfs/dbraw/zinc/60/40/30/346604030.db2.gz	IWIPLQNGULKODP-QBFJYBIGSA-N	0	0	230.184	-0.585	40	10		BBCBRN
[N-]=[N+]=NC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](N=[N+]=[N-])[C@H]1O	ZINC000004532532	346603945	/nfs/dbraw/zinc/60/39/45/346603945.db2.gz	IWIPLQNGULKODP-GKFJPSPNSA-N	0	0	230.184	-0.585	40	10		BBCBRN
[N-]=[N+]=NC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](N=[N+]=[N-])[C@@H]1O	ZINC000004532533	346604187	/nfs/dbraw/zinc/60/41/87/346604187.db2.gz	IWIPLQNGULKODP-FDROIEKHSA-N	0	0	230.184	-0.585	40	10		BBCBRN
[N-]=[N+]=NC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](N=[N+]=[N-])[C@@H]1O	ZINC000004532534	346604101	/nfs/dbraw/zinc/60/41/01/346604101.db2.gz	IWIPLQNGULKODP-MDMQIMBFSA-N	0	0	230.184	-0.585	40	10		BBCBRN
CC(=O)N[C@H](CCC(=O)C[N+]#N)C(=O)[O-]	ZINC000004721133	384077987	/nfs/dbraw/zinc/07/79/87/384077987.db2.gz	WBSWOKCKZUNHQV-SSDOTTSWSA-N	0	0	213.193	-0.774	40	10		BBCBRN
CCOC(=O)C([N+]#N)=C([O-])c1csnn1	ZINC000004946438	170185587	/nfs/dbraw/zinc/18/55/87/170185587.db2.gz	APPJASIZYUCELT-UHFFFAOYSA-N	0	0	226.217	-0.045	40	10		BBCBRN
[N-]=[N+]=NCCOCn1ccc(=O)[nH]c1=O	ZINC000005521414	191122289	/nfs/dbraw/zinc/12/22/89/191122289.db2.gz	ZUGZNKLWJYVCRW-UHFFFAOYSA-N	0	0	211.181	-0.179	40	10		BBCBRN
CCNC=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000006190954	170109284	/nfs/dbraw/zinc/10/92/84/170109284.db2.gz	UYFWDJACDMZHBE-UHFFFAOYSA-N	0	0	211.221	-0.470	40	10		BBCBRN
O=c1[nH]onc1N=[N+]([O-])c1no[nH]c1=O	ZINC000008854787	370379685	/nfs/dbraw/zinc/37/96/85/370379685.db2.gz	MWTXDEDGDISMQE-YHYXMXQVSA-N	0	0	214.097	-0.211	40	10		BBCBRN
Nc1nonc1/N=N/C1([N+](=O)[O-])COCOC1	ZINC000015218658	384425545	/nfs/dbraw/zinc/42/55/45/384425545.db2.gz	SGXJKFLEDMOLHF-DHZHZOJOSA-N	0	0	244.167	-0.287	40	10		BBCBRN
CCN1C(=O)C(=CN)C(=O)N(CC)C1=O	ZINC000016035274	344283754	/nfs/dbraw/zinc/28/37/54/344283754.db2.gz	QKKMHRQFJRJFDC-UHFFFAOYSA-N	0	0	211.221	-0.340	40	10		BBCBRN
CN(CCO)N=Nc1n[nH]cc1C(N)=O	ZINC000018102042	347278907	/nfs/dbraw/zinc/27/89/07/347278907.db2.gz	KNUVBPMGQSKRFH-VAWYXSNFSA-N	0	0	212.213	-0.569	40	10		BBCBRN
CN(C)/N=N/c1cn(C)c(=O)n(C)c1=O	ZINC000018113856	172353351	/nfs/dbraw/zinc/35/33/51/172353351.db2.gz	IIWQSEPTLPKMHA-MDZDMXLPSA-N	0	0	211.225	-0.356	40	10		BBCBRN
CN(CCO)N=Nc1nc[nH]c1C(N)=O	ZINC000018119029	347278746	/nfs/dbraw/zinc/27/87/46/347278746.db2.gz	RZHQCXZQPHOUHK-VAWYXSNFSA-N	0	0	212.213	-0.569	40	10		BBCBRN
COC(=O)C=C1SC(NC(N)=[NH2+])=NC1=O	ZINC000019819673	384541949	/nfs/dbraw/zinc/54/19/49/384541949.db2.gz	PFYHHFZZDHNOSN-IHWYPQMZSA-N	0	0	228.233	-0.844	40	10		BBCBRN
CN(C)/C=C1\C(=N)N(C)C(=O)N(C)C1=O	ZINC000100904820	172350922	/nfs/dbraw/zinc/35/09/22/172350922.db2.gz	ZKFRATVHSABVKZ-FEGZXCSJSA-N	0	0	210.237	-0.067	40	10		BBCBRN
CCC(=O)C(C)=C(O)C(=O)C(=O)OC	ZINC000102969588	168250700	/nfs/dbraw/zinc/25/07/00/168250700.db2.gz	QXEONMGGBQKFDY-RXMQYKEDSA-N	0	0	200.190	-0.087	40	10		BBCBRN
CCC(=O)C(C)=C(O)C(=O)C(=O)OC	ZINC000102969591	168252303	/nfs/dbraw/zinc/25/23/03/168252303.db2.gz	QXEONMGGBQKFDY-YFKPBYRVSA-N	0	0	200.190	-0.087	40	10		BBCBRN
CN(CCO)N=Nc1nc[nH]c1C(N)=O	ZINC000104053351	384793865	/nfs/dbraw/zinc/79/38/65/384793865.db2.gz	RZHQCXZQPHOUHK-QXMHVHEDSA-N	0	0	212.213	-0.569	40	10		BBCBRN
CN(CCO)N=Nc1n[nH]cc1C(N)=O	ZINC000104122735	172746206	/nfs/dbraw/zinc/74/62/06/172746206.db2.gz	KNUVBPMGQSKRFH-QXMHVHEDSA-N	0	0	212.213	-0.569	40	10		BBCBRN
CCOC(=O)CNN=Nc1n[nH]cc1C(N)=O	ZINC000104128234	170217614	/nfs/dbraw/zinc/21/76/14/170217614.db2.gz	JWSKNQGPPHOOAR-UHFFFAOYSA-N	0	0	240.223	-0.340	40	10		BBCBRN
CN(C)/N=N\c1cn(C)c(=O)n(C)c1=O	ZINC000104165908	172353314	/nfs/dbraw/zinc/35/33/14/172353314.db2.gz	IIWQSEPTLPKMHA-KTKRTIGZSA-N	0	0	211.225	-0.356	40	10		BBCBRN
[N-]=[N+]=NC[C@@H]1O[C@H](O)[C@H](O)[C@H](N=[N+]=[N-])[C@@H]1O	ZINC000201492918	368404850	/nfs/dbraw/zinc/40/48/50/368404850.db2.gz	IWIPLQNGULKODP-BSQWINAVSA-N	0	0	230.184	-0.585	40	10		BBCBRN
CON(C)C(=O)CN1C(=O)CSC1=S	ZINC000215662029	385322438	/nfs/dbraw/zinc/32/24/38/385322438.db2.gz	DAFZHUNGCWILSE-UHFFFAOYSA-N	0	0	234.302	-0.134	40	10		BBCBRN
Nc1ccccc1N[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000217416409	388372285	/nfs/dbraw/zinc/37/22/85/388372285.db2.gz	JVEXZFKMIADUCP-ZJUUUORDSA-N	0	0	242.300	-0.161	40	10		BBCBRN
Nc1ccccc1N[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000217416498	388371982	/nfs/dbraw/zinc/37/19/82/388371982.db2.gz	JVEXZFKMIADUCP-UWVGGRQHSA-N	0	0	242.300	-0.161	40	10		BBCBRN
Nc1ccccc1N[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000217416575	384814876	/nfs/dbraw/zinc/81/48/76/384814876.db2.gz	JVEXZFKMIADUCP-NXEZZACHSA-N	0	0	242.300	-0.161	40	10		BBCBRN
Nc1ccccc1N[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000217416649	388371249	/nfs/dbraw/zinc/37/12/49/388371249.db2.gz	JVEXZFKMIADUCP-VHSXEESVSA-N	0	0	242.300	-0.161	40	10		BBCBRN
COC1=C([C@@H](C)O)C=NS(C)(=O)=C1	ZINC000218808611	174012435	/nfs/dbraw/zinc/01/24/35/174012435.db2.gz	KYBFEAASDUQKQD-UANNBLPKSA-N	0	0	203.263	-0.017	40	10		BBCBRN
COC1=C([C@@H](C)O)C=NS(C)(=O)=C1	ZINC000218808657	174013455	/nfs/dbraw/zinc/01/34/55/174013455.db2.gz	KYBFEAASDUQKQD-CAAJLBCPSA-N	0	0	203.263	-0.017	40	10		BBCBRN
COC1=C([C@H](C)O)C=NS(C)(=O)=C1	ZINC000218808745	174012449	/nfs/dbraw/zinc/01/24/49/174012449.db2.gz	KYBFEAASDUQKQD-IYQDAUBNSA-N	0	0	203.263	-0.017	40	10		BBCBRN
COC1=C([C@H](C)O)C=NS(C)(=O)=C1	ZINC000218808819	174013140	/nfs/dbraw/zinc/01/31/40/174013140.db2.gz	KYBFEAASDUQKQD-DAZKTRTLSA-N	0	0	203.263	-0.017	40	10		BBCBRN
COc1ccc(-n2[n-]c(=O)c(N)c2O)cc1	ZINC000222552853	175140069	/nfs/dbraw/zinc/14/00/69/175140069.db2.gz	VIDOFUBNEPRUIQ-MRVPVSSYSA-N	0	0	221.216	-0.600	40	10		BBCBRN
COc1ccc(-n2[n-]c(=O)c(N)c2O)cc1	ZINC000222552913	175140087	/nfs/dbraw/zinc/14/00/87/175140087.db2.gz	VIDOFUBNEPRUIQ-QMMMGPOBSA-N	0	0	221.216	-0.600	40	10		BBCBRN
[N-]=[N+]=NC[C@@H]1O[C@H](O)[C@H](O)[C@@H](N=[N+]=[N-])[C@H]1O	ZINC000257346471	384465401	/nfs/dbraw/zinc/46/54/01/384465401.db2.gz	IWIPLQNGULKODP-XKTQNOIPSA-N	0	0	230.184	-0.585	40	10		BBCBRN
[N-]=[N+]=NC[C@@H]1O[C@H](O)[C@H](O)[C@@H](N=[N+]=[N-])[C@@H]1O	ZINC000257346472	384464031	/nfs/dbraw/zinc/46/40/31/384464031.db2.gz	IWIPLQNGULKODP-YJRYQGEOSA-N	0	0	230.184	-0.585	40	10		BBCBRN
[N-]=[N+]=NC[C@@H]1O[C@H](O)[C@H](O)[C@H](N=[N+]=[N-])[C@H]1O	ZINC000257346473	322957313	/nfs/dbraw/zinc/95/73/13/322957313.db2.gz	IWIPLQNGULKODP-ZSNZIGRDSA-N	0	0	230.184	-0.585	40	10		BBCBRN
Nc1ccc(N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1	ZINC000386856367	343810496	/nfs/dbraw/zinc/81/04/96/343810496.db2.gz	VYHQKKMWTXFJJV-AOOOYVTPSA-N	0	0	231.255	-0.022	40	10		BBCBRN
Nc1ccc(N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)cc1	ZINC000386856368	343810295	/nfs/dbraw/zinc/81/02/95/343810295.db2.gz	VYHQKKMWTXFJJV-NXEZZACHSA-N	0	0	231.255	-0.022	40	10		BBCBRN
Nc1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1	ZINC000386856369	343810291	/nfs/dbraw/zinc/81/02/91/343810291.db2.gz	VYHQKKMWTXFJJV-UWVGGRQHSA-N	0	0	231.255	-0.022	40	10		BBCBRN
CC(=O)C(O)=C(C(C)=O)[C@@](O)(C(C)=O)[C@@H](C)O	ZINC000390822620	519359373	/nfs/dbraw/zinc/35/93/73/519359373.db2.gz	FAAKQTVXCRYDOX-ZOFUNIGCSA-N	0	0	244.243	-0.949	40	10		BBCBRN
O=C1CNC(=O)[C@@H](c2ccccc2O)N1	ZINC000409432796	343827756	/nfs/dbraw/zinc/82/77/56/343827756.db2.gz	PCIJJQUWBKPVKN-SECBINFHSA-N	0	0	206.201	-0.321	40	10		BBCBRN
O=C1CNC(=O)[C@H](c2ccccc2O)N1	ZINC000409432797	343827455	/nfs/dbraw/zinc/82/74/55/343827455.db2.gz	PCIJJQUWBKPVKN-VIFPVBQESA-N	0	0	206.201	-0.321	40	10		BBCBRN
O=C1NC(=S)S/C1=C\NCCO	ZINC000584905803	343592038	/nfs/dbraw/zinc/59/20/38/343592038.db2.gz	ZDCKWMJGILTPMC-ARJAWSKDSA-N	0	0	204.276	-0.442	40	10		BBCBRN