smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)[Si](C)(C)O[C@H]1CC[N@@H+](Cc2cncc(C(=O)[O-])c2)C1	ZINC001590451289	990012011	/nfs/dbraw/zinc/01/20/11/990012011.db2.gz	IDPJLYQZMHQJFJ-HNNXBMFYSA-N	0	1	336.508	3.376	20	50		EGGDMN
CCCCCC[C@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000736447144	944823506	/nfs/dbraw/zinc/82/35/06/944823506.db2.gz	RCRPQGITAQBSOR-NSHDSACASA-N	0	1	349.439	3.028	20	50		EGGDMN
C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(OCCCCl)cc1	ZINC001573710166	959843994	/nfs/dbraw/zinc/84/39/94/959843994.db2.gz	AMZFCJBSVIKHER-HIFRSBDPSA-N	0	1	325.836	3.379	20	50		EGGDMN
Cc1cccc2nc(C(C#N)=Cc3ccc(F)c(-c4nn[nH]n4)c3)[nH]c21	ZINC000826304712	608880538	/nfs/dbraw/zinc/88/05/38/608880538.db2.gz	VOZIGIKIPXPGEJ-GHXNOFRVSA-N	0	1	345.341	3.255	20	50		EGGDMN
O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(OCCCCl)cc1	ZINC000902008727	980686984	/nfs/dbraw/zinc/68/69/84/980686984.db2.gz	QVVQKJQBOPPHEX-PVAVHDDUSA-N	0	1	337.847	3.379	20	50		EGGDMN
C[C@@H]1CC[N@@H+](Cc2ccc(OCCCCl)cc2)[C@@H](C(=O)[O-])C1	ZINC000902017716	980695288	/nfs/dbraw/zinc/69/52/88/980695288.db2.gz	RKVDYAQFWIFRLL-CZUORRHYSA-N	0	1	325.836	3.379	20	50		EGGDMN
CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)O1	ZINC001594103544	998137372	/nfs/dbraw/zinc/13/73/72/998137372.db2.gz	YWRYXODUQJCPAV-UONOGXRCSA-N	0	1	341.524	3.230	20	50		EGGDMN
CC1=C(C(=O)[O-])C[C@@H](C[N@H+]2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)O1	ZINC001594103543	998138309	/nfs/dbraw/zinc/13/83/09/998138309.db2.gz	YWRYXODUQJCPAV-KGLIPLIRSA-N	0	1	341.524	3.230	20	50		EGGDMN
CC(C)(C)[Si](C)(C)O[C@@H]1CC[N@@H+](Cc2cncc(C(=O)[O-])c2)C1	ZINC001590451292	990011898	/nfs/dbraw/zinc/01/18/98/990011898.db2.gz	IDPJLYQZMHQJFJ-OAHLLOKOSA-N	0	1	336.508	3.376	20	50		EGGDMN
C[C@@H]1C[N@@H+](Cc2ccc(OCCCCl)cc2)CC[C@@H]1C(=O)[O-]	ZINC000901891623	969487735	/nfs/dbraw/zinc/48/77/35/969487735.db2.gz	PESOQLPQFTZCKQ-CJNGLKHVSA-N	0	1	325.836	3.237	20	50		EGGDMN
C[C@H](CBr)C[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1	ZINC001592212672	977269417	/nfs/dbraw/zinc/26/94/17/977269417.db2.gz	TWEXGLJXCPRLAA-ZJUUUORDSA-N	0	1	347.278	3.052	20	50		EGGDMN
C[C@@H]1CC[N@@H+](Cc2ccc(OCCCCl)cc2)C[C@H]1C(=O)[O-]	ZINC001589354873	954117520	/nfs/dbraw/zinc/11/75/20/954117520.db2.gz	FBXVRXGUTAYGRU-CZUORRHYSA-N	0	1	325.836	3.237	20	50		EGGDMN
CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](C)CCO[Si](C)(C)C(C)(C)C)O1	ZINC001594099194	998094943	/nfs/dbraw/zinc/09/49/43/998094943.db2.gz	ZWCGQYCWZJIXPO-ZDUSSCGKSA-N	0	1	329.513	3.088	20	50		EGGDMN
C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(OCCCCl)cc1	ZINC001573710170	959843394	/nfs/dbraw/zinc/84/33/94/959843394.db2.gz	AMZFCJBSVIKHER-ZFWWWQNUSA-N	0	1	325.836	3.379	20	50		EGGDMN
C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+](CC(=O)[O-])Cc1cccc(Br)c1	ZINC001594188155	998730341	/nfs/dbraw/zinc/73/03/41/998730341.db2.gz	QBVOOSVTWQJUMN-DUFXMDAXSA-N	0	1	346.652	3.209	20	50		EGGDMN
C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+](CC(=O)[O-])Cc1cccc(Br)c1	ZINC001594188156	998730404	/nfs/dbraw/zinc/73/04/04/998730404.db2.gz	QBVOOSVTWQJUMN-MRCXROJRSA-N	0	1	346.652	3.209	20	50		EGGDMN
C[C@H]1[C@H](C[N@@H+](C)[C@H](C(=O)[O-])c2cccc(Br)c2)[C@H]1Cl	ZINC001594188399	998731123	/nfs/dbraw/zinc/73/11/23/998731123.db2.gz	QYUDXKXEFGCNEQ-WTFGDDLMSA-N	0	1	346.652	3.380	20	50		EGGDMN
C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(OCCCCl)cc1	ZINC001573710164	959844202	/nfs/dbraw/zinc/84/42/02/959844202.db2.gz	AMZFCJBSVIKHER-DZGCQCFKSA-N	0	1	325.836	3.379	20	50		EGGDMN
C=C(CBr)C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1	ZINC001588605937	983695639	/nfs/dbraw/zinc/69/56/39/983695639.db2.gz	RNIPPCONMHLTBA-UHFFFAOYSA-N	0	1	348.187	3.193	20	50		EGGDMN
COC1([C@@H](C(=O)[O-])[N@H+]2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)CCC1	ZINC001599083667	997054705	/nfs/dbraw/zinc/05/47/05/997054705.db2.gz	XNFADKFFJFHJSE-UONOGXRCSA-N	0	1	343.540	3.105	20	50		EGGDMN
O=C([O-])C[C@H]1CSCC[N@H+]1Cc1ccc(OCCCCl)cc1	ZINC000901985774	980666419	/nfs/dbraw/zinc/66/64/19/980666419.db2.gz	ZDTSCQKUIYUQJO-AWEZNQCLSA-N	0	1	343.876	3.086	20	50		EGGDMN
CC(C)(C)[Si](C)(C)O[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])n2)C1	ZINC001590452162	990017565	/nfs/dbraw/zinc/01/75/65/990017565.db2.gz	ZLGYNPCJXPQDLS-CQSZACIVSA-N	0	1	336.508	3.376	20	50		EGGDMN
CC(C)(C)[Si](C)(C)OC[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])no1	ZINC001590452099	990017873	/nfs/dbraw/zinc/01/78/73/990017873.db2.gz	XJVGEHJTIANRGJ-LBPRGKRZSA-N	0	1	340.496	3.359	20	50		EGGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+](C)[C@H](C(=O)[O-])c1cccc(Br)c1	ZINC001594188397	998731176	/nfs/dbraw/zinc/73/11/76/998731176.db2.gz	QYUDXKXEFGCNEQ-MHNYQROPSA-N	0	1	346.652	3.380	20	50		EGGDMN
C[C@H]1CC[N@@H+](Cc2ccc(OCCCCl)cc2)C[C@H]1C(=O)[O-]	ZINC001589354874	954117469	/nfs/dbraw/zinc/11/74/69/954117469.db2.gz	FBXVRXGUTAYGRU-XJKSGUPXSA-N	0	1	325.836	3.237	20	50		EGGDMN
O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(OCCCCl)cc1	ZINC000902008729	980686822	/nfs/dbraw/zinc/68/68/22/980686822.db2.gz	QVVQKJQBOPPHEX-UAGQMJEPSA-N	0	1	337.847	3.379	20	50		EGGDMN
CC(C)(C)[Si](C)(C)OC[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])no1	ZINC001590452097	990017923	/nfs/dbraw/zinc/01/79/23/990017923.db2.gz	XJVGEHJTIANRGJ-GFCCVEGCSA-N	0	1	340.496	3.359	20	50		EGGDMN
CCC[N@@H+](CC(=O)[O-])CC1(O[Si](C)(C)C(C)(C)C)CCOCC1	ZINC001589669842	949930176	/nfs/dbraw/zinc/93/01/76/949930176.db2.gz	QJYWSZWZMCJVGG-UHFFFAOYSA-N	0	1	345.556	3.354	20	50		EGGDMN
C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(OCCCCl)cc1	ZINC001573710168	959844069	/nfs/dbraw/zinc/84/40/69/959844069.db2.gz	AMZFCJBSVIKHER-UKRRQHHQSA-N	0	1	325.836	3.379	20	50		EGGDMN
CCCCC[C@H](CC)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000825265788	608583910	/nfs/dbraw/zinc/58/39/10/608583910.db2.gz	BAGVZIBTWIVLMA-NSHDSACASA-N	0	1	349.439	3.028	20	50		EGGDMN
Cc1cccc2nc(C(C#N)=Cc3ccccc3-c3nn[nH]n3)[nH]c21	ZINC000826304279	607884687	/nfs/dbraw/zinc/88/46/87/607884687.db2.gz	FOFJPCKCNKUIAM-UKTHLTGXSA-N	0	1	327.351	3.116	20	50		EGGDMN
CCCCC[C@@H](CC)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000825265778	608583649	/nfs/dbraw/zinc/58/36/49/608583649.db2.gz	BAGVZIBTWIVLMA-LLVKDONJSA-N	0	1	349.439	3.028	20	50		EGGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(Br)c1	ZINC001594188398	998730815	/nfs/dbraw/zinc/73/08/15/998730815.db2.gz	QYUDXKXEFGCNEQ-OQCKYNKVSA-N	0	1	346.652	3.380	20	50		EGGDMN
CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)O1	ZINC001594103545	998137921	/nfs/dbraw/zinc/13/79/21/998137921.db2.gz	YWRYXODUQJCPAV-ZIAGYGMSSA-N	0	1	341.524	3.230	20	50		EGGDMN
C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(OCCCCl)cc2)C1	ZINC000901696939	980453524	/nfs/dbraw/zinc/45/35/24/980453524.db2.gz	BHKSPVPPAJBPJN-QGZVFWFLSA-N	0	1	325.836	3.381	20	50		EGGDMN
C[C@H]1C[N@@H+](Cc2ccc(OCCCCl)cc2)CC[C@H]1C(=O)[O-]	ZINC001603461499	973301475	/nfs/dbraw/zinc/30/14/75/973301475.db2.gz	PESOQLPQFTZCKQ-XJKSGUPXSA-N	0	1	325.836	3.237	20	50		EGGDMN
CC(C)(C)[Si](C)(C)O[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1	ZINC001590452164	990017632	/nfs/dbraw/zinc/01/76/32/990017632.db2.gz	ZOARWESXPIFFDX-HNNXBMFYSA-N	0	1	336.508	3.376	20	50		EGGDMN
C[C@@H]1CCC[N@@H+](Cc2ccc(OCCCCl)cc2)[C@H]1C(=O)[O-]	ZINC001589334649	953982417	/nfs/dbraw/zinc/98/24/17/953982417.db2.gz	RBQXDHITGNEXPM-CZUORRHYSA-N	0	1	325.836	3.379	20	50		EGGDMN
C[C@H]1CCC[N@@H+](Cc2ccc(OCCCCl)cc2)[C@H]1C(=O)[O-]	ZINC001589334650	953982433	/nfs/dbraw/zinc/98/24/33/953982433.db2.gz	RBQXDHITGNEXPM-XJKSGUPXSA-N	0	1	325.836	3.379	20	50		EGGDMN
C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(OCCCCl)cc2)C1	ZINC001589280355	953496875	/nfs/dbraw/zinc/49/68/75/953496875.db2.gz	DIMLDKORIMXQEC-ZFWWWQNUSA-N	0	1	325.836	3.237	20	50		EGGDMN
C[C@H]1[C@H](C[N@@H+](C)[C@@H](C(=O)[O-])c2cccc(Br)c2)[C@H]1Cl	ZINC001594188400	998730831	/nfs/dbraw/zinc/73/08/31/998730831.db2.gz	QYUDXKXEFGCNEQ-ZBPZKIAKSA-N	0	1	346.652	3.380	20	50		EGGDMN
CC(C)CCCCCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000820072960	945344993	/nfs/dbraw/zinc/34/49/93/945344993.db2.gz	OYQYEHQJJOYJQH-UHFFFAOYSA-N	0	1	349.439	3.028	20	50		EGGDMN
O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(OCCCCl)cc1	ZINC000902008726	980686921	/nfs/dbraw/zinc/68/69/21/980686921.db2.gz	QVVQKJQBOPPHEX-OIISXLGYSA-N	0	1	337.847	3.379	20	50		EGGDMN
Cc1cccc2nc(C(C#N)=Cc3cc(-c4nn[nH]n4)cs3)[nH]c21	ZINC000822331326	946058523	/nfs/dbraw/zinc/05/85/23/946058523.db2.gz	DNCJIABHZYHSCQ-YHYXMXQVSA-N	0	1	333.380	3.177	20	50		EGGDMN
CC(C)(C)[Si](C)(C)O[C@H]1CCC[N@@H+](Cc2oncc2C(=O)[O-])C1	ZINC001590451507	990014416	/nfs/dbraw/zinc/01/44/16/990014416.db2.gz	MKHGGZXINPULEX-LBPRGKRZSA-N	0	1	340.496	3.359	20	50		EGGDMN
C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(OCCCCl)cc2)C1	ZINC000901696936	980453554	/nfs/dbraw/zinc/45/35/54/980453554.db2.gz	BHKSPVPPAJBPJN-KRWDZBQOSA-N	0	1	325.836	3.381	20	50		EGGDMN
C[C@H]1CC[N@@H+](Cc2ccc(OCCCCl)cc2)C[C@@H]1C(=O)[O-]	ZINC001589354871	954117552	/nfs/dbraw/zinc/11/75/52/954117552.db2.gz	FBXVRXGUTAYGRU-BBRMVZONSA-N	0	1	325.836	3.237	20	50		EGGDMN
C[C@@H]1CC[N@@H+](Cc2ccc(OCCCCl)cc2)[C@H](C(=O)[O-])C1	ZINC000902017715	980695101	/nfs/dbraw/zinc/69/51/01/980695101.db2.gz	RKVDYAQFWIFRLL-CJNGLKHVSA-N	0	1	325.836	3.379	20	50		EGGDMN
O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(OCCCCl)cc2)C[C@H]1C1CC1	ZINC000901902478	980616184	/nfs/dbraw/zinc/61/61/84/980616184.db2.gz	FRWAWVPOAMLLBF-DLBZAZTESA-N	0	1	337.847	3.237	20	50		EGGDMN
C=C(CBr)C[N@H+](CCCC(=O)[O-])Cc1ccccc1	ZINC001588606287	983696735	/nfs/dbraw/zinc/69/67/35/983696735.db2.gz	VDKNGLYWLXKRJL-UHFFFAOYSA-N	0	1	326.234	3.305	20	50		EGGDMN
C[C@H]1CC[N@@H+](Cc2ccc(OCCCCl)cc2)[C@@H](C(=O)[O-])C1	ZINC000902017717	980695063	/nfs/dbraw/zinc/69/50/63/980695063.db2.gz	RKVDYAQFWIFRLL-XJKSGUPXSA-N	0	1	325.836	3.379	20	50		EGGDMN
COC1([C@@H](C(=O)[O-])[N@H+]2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)CCC1	ZINC001599083668	997054242	/nfs/dbraw/zinc/05/42/42/997054242.db2.gz	XNFADKFFJFHJSE-ZIAGYGMSSA-N	0	1	343.540	3.105	20	50		EGGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+](CC(=O)[O-])Cc1cccc(Br)c1	ZINC001594188154	998730278	/nfs/dbraw/zinc/73/02/78/998730278.db2.gz	QBVOOSVTWQJUMN-BHYNMZESSA-N	0	1	346.652	3.209	20	50		EGGDMN
Cc1cccc2nc(C(C#N)=Cc3ccc(-c4nn[nH]n4)cc3)[nH]c21	ZINC000737404693	945059839	/nfs/dbraw/zinc/05/98/39/945059839.db2.gz	DLEADCODNRVIIF-NTEUORMPSA-N	0	1	327.351	3.116	20	50		EGGDMN
C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(OCCCCl)cc2)C1	ZINC001589280352	953497147	/nfs/dbraw/zinc/49/71/47/953497147.db2.gz	DIMLDKORIMXQEC-DZGCQCFKSA-N	0	1	325.836	3.237	20	50		EGGDMN
CC(C)(C)[Si](C)(C)O[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])n2)C1	ZINC001590452161	990017313	/nfs/dbraw/zinc/01/73/13/990017313.db2.gz	ZLGYNPCJXPQDLS-AWEZNQCLSA-N	0	1	336.508	3.376	20	50		EGGDMN
O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(OCCCCl)cc1	ZINC000902008730	980686998	/nfs/dbraw/zinc/68/69/98/980686998.db2.gz	QVVQKJQBOPPHEX-XIRDDKMYSA-N	0	1	337.847	3.379	20	50		EGGDMN
C[C@@H]1C[N@@H+](Cc2ccc(OCCCCl)cc2)CC[C@H]1C(=O)[O-]	ZINC001603461494	973302526	/nfs/dbraw/zinc/30/25/26/973302526.db2.gz	PESOQLPQFTZCKQ-CZUORRHYSA-N	0	1	325.836	3.237	20	50		EGGDMN
COC1([C@H](C(=O)[O-])[N@H+]2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)CCC1	ZINC001599083666	997054786	/nfs/dbraw/zinc/05/47/86/997054786.db2.gz	XNFADKFFJFHJSE-KGLIPLIRSA-N	0	1	343.540	3.105	20	50		EGGDMN
Cc1cccc2nc(C(C#N)=Cc3ccc(-c4nn[nH]n4)cc3F)[nH]c21	ZINC000822332725	946057558	/nfs/dbraw/zinc/05/75/58/946057558.db2.gz	RSPGTDFSCSSSOK-NTUHNPAUSA-N	0	1	345.341	3.255	20	50		EGGDMN
COC1([C@H](C(=O)[O-])[N@H+]2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)CCC1	ZINC001599083665	997054735	/nfs/dbraw/zinc/05/47/35/997054735.db2.gz	XNFADKFFJFHJSE-KBPBESRZSA-N	0	1	343.540	3.105	20	50		EGGDMN
C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(OCCCCl)cc2)C1	ZINC001589280354	953497445	/nfs/dbraw/zinc/49/74/45/953497445.db2.gz	DIMLDKORIMXQEC-UKRRQHHQSA-N	0	1	325.836	3.237	20	50		EGGDMN
C[C@H]1CCC[N@@H+](Cc2ccc(OCCCCl)cc2)[C@@H]1C(=O)[O-]	ZINC001589334647	953981720	/nfs/dbraw/zinc/98/17/20/953981720.db2.gz	RBQXDHITGNEXPM-BBRMVZONSA-N	0	1	325.836	3.379	20	50		EGGDMN
C[C@H]1CC[N@@H+](Cc2ccc(OCCCCl)cc2)[C@H](C(=O)[O-])C1	ZINC000902017714	980694067	/nfs/dbraw/zinc/69/40/67/980694067.db2.gz	RKVDYAQFWIFRLL-BBRMVZONSA-N	0	1	325.836	3.379	20	50		EGGDMN
C[C@@H](C[N@@H+](C)CC1(O[Si](C)(C)C(C)(C)C)CCOCC1)C(=O)[O-]	ZINC001589032538	955527713	/nfs/dbraw/zinc/52/77/13/955527713.db2.gz	GSFNSZPZUDDROS-AWEZNQCLSA-N	0	1	345.556	3.210	20	50		EGGDMN
CCCC[C@H](CC)CC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000736437241	944821511	/nfs/dbraw/zinc/82/15/11/944821511.db2.gz	HWWMSXMHGQSZRG-NSHDSACASA-N	0	1	349.439	3.028	20	50		EGGDMN
CC1=C(C(=O)[O-])C[C@@H](C[N@H+]2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)O1	ZINC001594103542	998137611	/nfs/dbraw/zinc/13/76/11/998137611.db2.gz	YWRYXODUQJCPAV-KBPBESRZSA-N	0	1	341.524	3.230	20	50		EGGDMN
C[N@@H+](CCCC(=O)[O-])CC1(O[Si](C)(C)C(C)(C)C)CCOCC1	ZINC001593745837	954380171	/nfs/dbraw/zinc/38/01/71/954380171.db2.gz	DYMZGFREHPBXJD-UHFFFAOYSA-N	0	1	345.556	3.354	20	50		EGGDMN
Cc1cccc2nc(C(C#N)=Cc3cccc(-c4nn[nH]n4)c3)[nH]c21	ZINC000737404718	945060019	/nfs/dbraw/zinc/06/00/19/945060019.db2.gz	DNRUJPJRMWFMPU-ZROIWOOFSA-N	0	1	327.351	3.116	20	50		EGGDMN
C[C@@H]1CCC[N@@H+](Cc2ccc(OCCCCl)cc2)[C@@H]1C(=O)[O-]	ZINC001589334648	953981806	/nfs/dbraw/zinc/98/18/06/953981806.db2.gz	RBQXDHITGNEXPM-CJNGLKHVSA-N	0	1	325.836	3.379	20	50		EGGDMN
C[C@H](C[N@@H+](C)CC1(O[Si](C)(C)C(C)(C)C)CCOCC1)C(=O)[O-]	ZINC001589032540	955529004	/nfs/dbraw/zinc/52/90/04/955529004.db2.gz	GSFNSZPZUDDROS-CQSZACIVSA-N	0	1	345.556	3.210	20	50		EGGDMN
C[C@H]1C[N@@H+](Cc2ccc(OCCCCl)cc2)CC[C@@H]1C(=O)[O-]	ZINC001603461489	973302394	/nfs/dbraw/zinc/30/23/94/973302394.db2.gz	PESOQLPQFTZCKQ-BBRMVZONSA-N	0	1	325.836	3.237	20	50		EGGDMN
CC(C)(C)[Si](C)(C)O[C@@H]1CCC[N@@H+](Cc2oncc2C(=O)[O-])C1	ZINC001590451506	990014486	/nfs/dbraw/zinc/01/44/86/990014486.db2.gz	MKHGGZXINPULEX-GFCCVEGCSA-N	0	1	340.496	3.359	20	50		EGGDMN
C[C@@H]1CC[N@@H+](Cc2ccc(OCCCCl)cc2)C[C@@H]1C(=O)[O-]	ZINC001589354872	954118144	/nfs/dbraw/zinc/11/81/44/954118144.db2.gz	FBXVRXGUTAYGRU-CJNGLKHVSA-N	0	1	325.836	3.237	20	50		EGGDMN
O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OCCCCl)cc1)C2	ZINC000859812727	979642473	/nfs/dbraw/zinc/64/24/73/979642473.db2.gz	WHNUISVTSKPQMS-YJBOKZPZSA-N	0	1	337.847	3.381	20	50		EGGDMN
C[C@@H](CBr)C[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1	ZINC001592212670	977269569	/nfs/dbraw/zinc/26/95/69/977269569.db2.gz	TWEXGLJXCPRLAA-VHSXEESVSA-N	0	1	347.278	3.052	20	50		EGGDMN
O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1ccc(OCCCCl)cc1	ZINC000901985776	980666716	/nfs/dbraw/zinc/66/67/16/980666716.db2.gz	ZDTSCQKUIYUQJO-CQSZACIVSA-N	0	1	343.876	3.086	20	50		EGGDMN
CC(C)(C)[Si](C)(C)O[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1	ZINC001590452165	990017793	/nfs/dbraw/zinc/01/77/93/990017793.db2.gz	ZOARWESXPIFFDX-OAHLLOKOSA-N	0	1	336.508	3.376	20	50		EGGDMN
CC(C)(C)[Si](C)(C)OCC[NH2+]C(C)(C)c1nocc1C(=O)[O-]	ZINC001590870936	990774227	/nfs/dbraw/zinc/77/42/27/990774227.db2.gz	SNPFUDUIEMFEHB-UHFFFAOYSA-N	0	1	328.485	3.219	20	50		EGGDMN
Cc1cccc2nc(C(C#N)=Cc3ccc(-c4nn[nH]n4)cc3)[nH]c21	ZINC000737404697	945060082	/nfs/dbraw/zinc/06/00/82/945060082.db2.gz	DLEADCODNRVIIF-ZROIWOOFSA-N	0	1	327.351	3.116	20	50		EGGDMN
C[C@H](CBr)C[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1	ZINC001592212666	977269754	/nfs/dbraw/zinc/26/97/54/977269754.db2.gz	TWEXGLJXCPRLAA-NXEZZACHSA-N	0	1	347.278	3.052	20	50		EGGDMN
CC1=C(C(=O)[O-])C[C@H](C[N@@H+](C)CCO[Si](C)(C)C(C)(C)C)O1	ZINC001594099193	998094660	/nfs/dbraw/zinc/09/46/60/998094660.db2.gz	ZWCGQYCWZJIXPO-CYBMUJFWSA-N	0	1	329.513	3.088	20	50		EGGDMN
C[C@@H](CBr)C[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1	ZINC001592212669	977269519	/nfs/dbraw/zinc/26/95/19/977269519.db2.gz	TWEXGLJXCPRLAA-UWVGGRQHSA-N	0	1	347.278	3.052	20	50		EGGDMN
C[C@H]1[C@H](C[N@@H+](CC(=O)[O-])Cc2cccc(Br)c2)[C@H]1Cl	ZINC001594188157	998730196	/nfs/dbraw/zinc/73/01/96/998730196.db2.gz	QBVOOSVTWQJUMN-WFBYXXMGSA-N	0	1	346.652	3.209	20	50		EGGDMN
C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(OCCCCl)cc2)C1	ZINC001589280353	953497428	/nfs/dbraw/zinc/49/74/28/953497428.db2.gz	DIMLDKORIMXQEC-HIFRSBDPSA-N	0	1	325.836	3.237	20	50		EGGDMN