smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cccc(C[NH2+]C2=C[C@@H]3c4ccccc4C(=O)N[C@@H]3C=C2)c1	ZINC000101081109	219115358	/nfs/dbraw/zinc/11/53/58/219115358.db2.gz	LSYJMWICHFWKKF-WOJBJXKFSA-N	1	2	327.387	2.997	1	30		EFEFLO
N#Cc1ccc([C@H](c2cccnc2)[NH+]2CCN(C(=O)C3CC3)CC2)cc1	ZINC000072103453	203162268	/nfs/dbraw/zinc/16/22/68/203162268.db2.gz	ZREZFCUYENPRNN-HXUWFJFHSA-N	1	2	346.434	2.597	1	30		EFEFLO
C=CCN(CC=C)C(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)n[nH]1	ZINC000012301052	211336908	/nfs/dbraw/zinc/33/69/08/211336908.db2.gz	RCUOJSXFUZHKRL-UHFFFAOYSA-N	1	2	335.411	2.930	1	30		EFEFLO
C=CCN1C[C@H]2[C@@H](OC)CC[C@@H]1C[N@@H+]2Cc1ccc(OC)cc1OC	ZINC000040392915	213296763	/nfs/dbraw/zinc/29/67/63/213296763.db2.gz	UHYKRQZIKNQPFD-NEWSRXKRSA-N	1	2	346.471	2.553	1	30		EFEFLO
C=CCN1C[C@H]2[C@@H](OC)CC[C@@H]1C[N@H+]2Cc1ccc(OC)cc1OC	ZINC000040392915	213296764	/nfs/dbraw/zinc/29/67/64/213296764.db2.gz	UHYKRQZIKNQPFD-NEWSRXKRSA-N	1	2	346.471	2.553	1	30		EFEFLO
C=CCN1C[C@@H]2[C@H](OC)CC[C@H]1C[N@@H+]2Cc1ccc(OC)cc1OC	ZINC000040392787	213296308	/nfs/dbraw/zinc/29/63/08/213296308.db2.gz	UHYKRQZIKNQPFD-QXAKKESOSA-N	1	2	346.471	2.553	1	30		EFEFLO
C=CCN1C[C@@H]2[C@H](OC)CC[C@H]1C[N@H+]2Cc1ccc(OC)cc1OC	ZINC000040392787	213296311	/nfs/dbraw/zinc/29/63/11/213296311.db2.gz	UHYKRQZIKNQPFD-QXAKKESOSA-N	1	2	346.471	2.553	1	30		EFEFLO
CC[NH+](CC)CCS/C(=N\O)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000040802269	213388486	/nfs/dbraw/zinc/38/84/86/213388486.db2.gz	KUKNTBILAWIEOE-PFONDFGASA-N	1	2	325.390	2.640	1	30		EFEFLO
C[C@@H]1OC[C@@H]2[C@@H](C[C@H]3c4c(c5ccccc5n4C)C[C@@H]2[N@H+]3C)[C@@H]1C=O	ZINC000038287545	213205867	/nfs/dbraw/zinc/20/58/67/213205867.db2.gz	NTXSRNQQLHZNTH-YONURWJNSA-N	1	2	338.451	2.946	1	30		EFEFLO
C[C@@H]1OC[C@@H]2[C@@H](C[C@H]3c4c(c5ccccc5n4C)C[C@@H]2[N@@H+]3C)[C@@H]1C=O	ZINC000038287545	213205871	/nfs/dbraw/zinc/20/58/71/213205871.db2.gz	NTXSRNQQLHZNTH-YONURWJNSA-N	1	2	338.451	2.946	1	30		EFEFLO
CC#CC(=O)Nc1ccc2c(c1)C(=Cc1[nH]c(CC)[nH+]c1C)C(=O)N2	ZINC000072110139	216010420	/nfs/dbraw/zinc/01/04/20/216010420.db2.gz	XNSRFCSSCCIJPM-UVTDQMKNSA-N	1	2	334.379	2.735	1	30		EFEFLO
C=CCN1C[C@H]2[C@H](OC)CC[C@@H]1C[N@@H+]2Cc1ccc(OC)cc1OC	ZINC000040380758	213294955	/nfs/dbraw/zinc/29/49/55/213294955.db2.gz	UHYKRQZIKNQPFD-NZSAHSFTSA-N	1	2	346.471	2.553	1	30		EFEFLO
C=CCN1C[C@H]2[C@H](OC)CC[C@@H]1C[N@H+]2Cc1ccc(OC)cc1OC	ZINC000040380758	213294957	/nfs/dbraw/zinc/29/49/57/213294957.db2.gz	UHYKRQZIKNQPFD-NZSAHSFTSA-N	1	2	346.471	2.553	1	30		EFEFLO
N#Cc1cccc(Nc2c[nH+]ccc2NS(=O)(=O)C(F)(F)F)c1	ZINC000103266635	219278651	/nfs/dbraw/zinc/27/86/51/219278651.db2.gz	SYUZXCHRMKPZQM-UHFFFAOYSA-N	1	2	342.302	2.958	1	30		EFEFLO
Cn1c2ccc([C@@H]3C[C@@H]3C(=O)NO)cc2[nH+]c1CCc1ccccc1	ZINC000040392667	213296790	/nfs/dbraw/zinc/29/67/90/213296790.db2.gz	CJEAJAOQWHRYLM-HOTGVXAUSA-N	1	2	335.407	2.967	1	30		EFEFLO
N#Cc1ccc([C@@H](c2cccnc2)[NH+]2CCN(C(=O)C3CC3)CC2)cc1	ZINC000072103454	216008850	/nfs/dbraw/zinc/00/88/50/216008850.db2.gz	ZREZFCUYENPRNN-FQEVSTJZSA-N	1	2	346.434	2.597	1	30		EFEFLO
N#Cc1cccc(C[NH2+]C2=C[C@@H]3c4ccccc4C(=O)N[C@H]3C=C2)c1	ZINC000101081105	219115381	/nfs/dbraw/zinc/11/53/81/219115381.db2.gz	LSYJMWICHFWKKF-UXHICEINSA-N	1	2	327.387	2.997	1	30		EFEFLO
N#Cc1cccc(C[NH2+]C2=C[C@H]3c4ccccc4C(=O)N[C@@H]3C=C2)c1	ZINC000101081107	219115537	/nfs/dbraw/zinc/11/55/37/219115537.db2.gz	LSYJMWICHFWKKF-VQTJNVASSA-N	1	2	327.387	2.997	1	30		EFEFLO
C[NH+]1CCN(C2=C(Nc3ccccc3)C(=O)c3ccccc3C2=O)CC1	ZINC000169304158	530071311	/nfs/dbraw/zinc/07/13/11/530071311.db2.gz	VAVCPYPIBYHIHY-UHFFFAOYSA-N	1	2	347.418	2.637	1	30		EFEFLO
C=CCN1C[C@@H]2[C@@H](OC)CC[C@H]1C[N@@H+]2Cc1ccc(OC)cc1OC	ZINC000040862652	213395190	/nfs/dbraw/zinc/39/51/90/213395190.db2.gz	UHYKRQZIKNQPFD-UHOSZYNNSA-N	1	2	346.471	2.553	1	30		EFEFLO
C=CCN1C[C@@H]2[C@@H](OC)CC[C@H]1C[N@H+]2Cc1ccc(OC)cc1OC	ZINC000040862652	213395194	/nfs/dbraw/zinc/39/51/94/213395194.db2.gz	UHYKRQZIKNQPFD-UHOSZYNNSA-N	1	2	346.471	2.553	1	30		EFEFLO
Cn1c2ccc([C@H]3C[C@@H]3C(=O)NO)cc2[nH+]c1CCc1ccccc1	ZINC000040392668	213297157	/nfs/dbraw/zinc/29/71/57/213297157.db2.gz	CJEAJAOQWHRYLM-CVEARBPZSA-N	1	2	335.407	2.967	1	30		EFEFLO
Cn1c2ccc([C@@H]3C[C@H]3C(=O)NO)cc2[nH+]c1CCc1ccccc1	ZINC000040392669	213296614	/nfs/dbraw/zinc/29/66/14/213296614.db2.gz	CJEAJAOQWHRYLM-JKSUJKDBSA-N	1	2	335.407	2.967	1	30		EFEFLO
Cc1[nH+]cc2n1[C@H]1[C@H](N=CN1C)N=C2Nc1c(C)cccc1Cl	ZINC000028397292	581092815	/nfs/dbraw/zinc/09/28/15/581092815.db2.gz	MGNJVRUCYMNJIU-CVEARBPZSA-N	1	2	328.807	2.633	1	30		EFEFLO
Cn1c2ccc([C@H]3C[C@H]3C(=O)NO)cc2[nH+]c1CCc1ccccc1	ZINC000040392670	213296921	/nfs/dbraw/zinc/29/69/21/213296921.db2.gz	CJEAJAOQWHRYLM-HZPDHXFCSA-N	1	2	335.407	2.967	1	30		EFEFLO
CC[N+](C)(CC)CCS/C(=N\O)C(=O)c1ccc(OC)cc1	ZINC000029404244	717118408	/nfs/dbraw/zinc/11/84/08/717118408.db2.gz	PVJYDYURWNCQAX-UHFFFAOYSA-O	1	2	325.454	2.885	1	30		EFEFLO
Cc1[nH+]cc2n1[C@@H]1[C@H](N=CN1C)N=C2Nc1c(C)cccc1Cl	ZINC000028397302	202170016	/nfs/dbraw/zinc/17/00/16/202170016.db2.gz	MGNJVRUCYMNJIU-HZPDHXFCSA-N	1	2	328.807	2.633	1	30		EFEFLO
N#Cc1cccc(C[NH2+]C2=C[C@H]3c4ccccc4C(=O)N[C@H]3C=C2)c1	ZINC000101081101	219115314	/nfs/dbraw/zinc/11/53/14/219115314.db2.gz	LSYJMWICHFWKKF-PMACEKPBSA-N	1	2	327.387	2.997	1	30		EFEFLO
C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](C[NH2+]NC(C)(C)C)[C@@H]2CC1	ZINC000043066507	213556230	/nfs/dbraw/zinc/55/62/30/213556230.db2.gz	KZINTAJAZRJARW-MSPWIVDFSA-N	1	2	336.476	2.715	1	30		EFEFLO
Cc1[nH+]cc2n1[C@H]1[C@@H](N=CN1C)N=C2Nc1c(C)cccc1Cl	ZINC000028397298	581092884	/nfs/dbraw/zinc/09/28/84/581092884.db2.gz	MGNJVRUCYMNJIU-HOTGVXAUSA-N	1	2	328.807	2.633	1	30		EFEFLO
Cc1[nH+]cc2n1[C@@H]1[C@@H](N=CN1C)N=C2Nc1c(C)cccc1Cl	ZINC000028397307	581092909	/nfs/dbraw/zinc/09/29/09/581092909.db2.gz	MGNJVRUCYMNJIU-JKSUJKDBSA-N	1	2	328.807	2.633	1	30		EFEFLO
COc1cc[nH+]cc1C1=C(c2ccc(S(C)(=O)=O)cc2)CCC1=O	ZINC000028264631	581099689	/nfs/dbraw/zinc/09/96/89/581099689.db2.gz	FWFHWFAJGILODD-UHFFFAOYSA-N	1	2	343.404	2.767	1	30		EFEFLO
COc1nc2nc3c(c(N)c2cc1C#N)C[N@H+](Cc1ccccc1)CC3	ZINC000066252180	215026800	/nfs/dbraw/zinc/02/68/00/215026800.db2.gz	OVZKDPDAXFAGDB-UHFFFAOYSA-N	1	2	345.406	2.651	1	30		EFEFLO
COc1nc2nc3c(c(N)c2cc1C#N)C[N@@H+](Cc1ccccc1)CC3	ZINC000066252180	215026801	/nfs/dbraw/zinc/02/68/01/215026801.db2.gz	OVZKDPDAXFAGDB-UHFFFAOYSA-N	1	2	345.406	2.651	1	30		EFEFLO