smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[N@H+](C)Cc2cnnn2C)cc1 ZINC000159850342 187301208 /nfs/dbraw/zinc/30/12/08/187301208.db2.gz AITUZIBYTZRLFS-UHFFFAOYSA-N 1 2 246.314 1.456 20 70 BDIDLO COc1ccc(C[N@@H+](C)Cc2cnnn2C)cc1 ZINC000159850342 187301210 /nfs/dbraw/zinc/30/12/10/187301210.db2.gz AITUZIBYTZRLFS-UHFFFAOYSA-N 1 2 246.314 1.456 20 70 BDIDLO CC[N@H+](Cc1ccccn1)[C@H]1CCOC1=O ZINC000161184232 346479618 /nfs/dbraw/zinc/47/96/18/346479618.db2.gz HWNJHTAPGRVKFM-NSHDSACASA-N 1 2 220.272 1.219 20 70 BDIDLO CC[N@@H+](Cc1ccccn1)[C@H]1CCOC1=O ZINC000161184232 346479621 /nfs/dbraw/zinc/47/96/21/346479621.db2.gz HWNJHTAPGRVKFM-NSHDSACASA-N 1 2 220.272 1.219 20 70 BDIDLO COC(=O)C[N@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000159602842 361265816 /nfs/dbraw/zinc/26/58/16/361265816.db2.gz IRTPIGYHRKWIPZ-VIFPVBQESA-N 1 2 215.293 1.049 20 70 BDIDLO COC(=O)C[N@@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000159602842 361265819 /nfs/dbraw/zinc/26/58/19/361265819.db2.gz IRTPIGYHRKWIPZ-VIFPVBQESA-N 1 2 215.293 1.049 20 70 BDIDLO Cc1cnc(CSCC[NH+]2CCOCC2)o1 ZINC000159883628 384367081 /nfs/dbraw/zinc/36/70/81/384367081.db2.gz LUCAJEAKHRSRPT-UHFFFAOYSA-N 1 2 242.344 1.548 20 70 BDIDLO C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161441839 387215429 /nfs/dbraw/zinc/21/54/29/387215429.db2.gz VFBODFIMVBVASN-IJLUTSLNSA-N 1 2 247.342 1.750 20 70 BDIDLO Cn1cnnc1C[N@H+](C)CCOc1ccccc1 ZINC000160684129 388084265 /nfs/dbraw/zinc/08/42/65/388084265.db2.gz VGUPYDBJXKPHNQ-UHFFFAOYSA-N 1 2 246.314 1.326 20 70 BDIDLO Cn1cnnc1C[N@@H+](C)CCOc1ccccc1 ZINC000160684129 388084267 /nfs/dbraw/zinc/08/42/67/388084267.db2.gz VGUPYDBJXKPHNQ-UHFFFAOYSA-N 1 2 246.314 1.326 20 70 BDIDLO CCc1nnc(C[NH2+][C@H](C)c2ccncc2)[nH]1 ZINC000160265797 171987722 /nfs/dbraw/zinc/98/77/22/171987722.db2.gz MRRPGFXZAZEERO-SECBINFHSA-N 1 2 231.303 1.613 20 70 BDIDLO CCc1ncsc1C(=O)NCc1[nH]cc[nH+]1 ZINC000159744596 172035421 /nfs/dbraw/zinc/03/54/21/172035421.db2.gz NHZCRLSJZRXKQI-UHFFFAOYSA-N 1 2 236.300 1.359 20 70 BDIDLO C[C@H]([NH2+]CCN1CCCC1)c1cscn1 ZINC000161141677 538914713 /nfs/dbraw/zinc/91/47/13/538914713.db2.gz HBZNDMVUMZGIAA-JTQLQIEISA-N 1 2 225.361 1.890 20 70 BDIDLO C(c1nc(C2CC2)no1)[N@@H+]1CCCSCC1 ZINC000161489595 349464710 /nfs/dbraw/zinc/46/47/10/349464710.db2.gz JJPLUEUVJXTVCH-UHFFFAOYSA-N 1 2 239.344 1.886 20 70 BDIDLO C(c1nc(C2CC2)no1)[N@H+]1CCCSCC1 ZINC000161489595 349464714 /nfs/dbraw/zinc/46/47/14/349464714.db2.gz JJPLUEUVJXTVCH-UHFFFAOYSA-N 1 2 239.344 1.886 20 70 BDIDLO CC[N@H+](Cc1ccccn1)[C@@H]1CCOC1=O ZINC000161184102 346479477 /nfs/dbraw/zinc/47/94/77/346479477.db2.gz HWNJHTAPGRVKFM-LLVKDONJSA-N 1 2 220.272 1.219 20 70 BDIDLO CC[N@@H+](Cc1ccccn1)[C@@H]1CCOC1=O ZINC000161184102 346479481 /nfs/dbraw/zinc/47/94/81/346479481.db2.gz HWNJHTAPGRVKFM-LLVKDONJSA-N 1 2 220.272 1.219 20 70 BDIDLO COc1ccc[nH+]c1NCc1cn[nH]c1 ZINC000159449051 541494354 /nfs/dbraw/zinc/49/43/54/541494354.db2.gz OVQIVCWLNNXNIJ-UHFFFAOYSA-N 1 2 204.233 1.425 20 70 BDIDLO c1cn(C2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000160225385 132231215 /nfs/dbraw/zinc/23/12/15/132231215.db2.gz JHNAKVXZAPQOFY-UHFFFAOYSA-N 1 2 229.287 1.515 20 70 BDIDLO CCOCCC[N@H+](CCOC)CC(F)F ZINC000160556014 170372416 /nfs/dbraw/zinc/37/24/16/170372416.db2.gz OFSQTBRTSRUNPQ-UHFFFAOYSA-N 1 2 225.279 1.627 20 70 BDIDLO CCOCCC[N@@H+](CCOC)CC(F)F ZINC000160556014 170372418 /nfs/dbraw/zinc/37/24/18/170372418.db2.gz OFSQTBRTSRUNPQ-UHFFFAOYSA-N 1 2 225.279 1.627 20 70 BDIDLO CC[C@@](C)(CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000160420979 171171399 /nfs/dbraw/zinc/17/13/99/171171399.db2.gz RZBVRTNOHPYMRE-LBPRGKRZSA-N 1 2 221.304 1.927 20 70 BDIDLO C[N@H+](CCOCC1CC1)CC(=O)OC(C)(C)C ZINC000160122115 536393528 /nfs/dbraw/zinc/39/35/28/536393528.db2.gz CRMGXKUGIBIAJH-UHFFFAOYSA-N 1 2 243.347 1.687 20 70 BDIDLO C[N@@H+](CCOCC1CC1)CC(=O)OC(C)(C)C ZINC000160122115 536393531 /nfs/dbraw/zinc/39/35/31/536393531.db2.gz CRMGXKUGIBIAJH-UHFFFAOYSA-N 1 2 243.347 1.687 20 70 BDIDLO C[C@H](O)C[NH2+]CC(F)(F)c1ccccc1 ZINC000161168253 343204214 /nfs/dbraw/zinc/20/42/14/343204214.db2.gz HWBDBWFRAAXHSJ-VIFPVBQESA-N 1 2 215.243 1.749 20 70 BDIDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@H](C)O ZINC000159384882 187301258 /nfs/dbraw/zinc/30/12/58/187301258.db2.gz LNICVAIYJPZPIY-JQWIXIFHSA-N 1 2 237.299 1.213 20 70 BDIDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@H](C)O ZINC000159384882 187301259 /nfs/dbraw/zinc/30/12/59/187301259.db2.gz LNICVAIYJPZPIY-JQWIXIFHSA-N 1 2 237.299 1.213 20 70 BDIDLO CCN(CC(C)C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159575062 345443838 /nfs/dbraw/zinc/44/38/38/345443838.db2.gz WIEKUQRWWJFAGH-LBPRGKRZSA-N 1 2 249.358 1.950 20 70 BDIDLO COc1ccc[nH+]c1NC[C@H](C)CCO ZINC000160247995 346357451 /nfs/dbraw/zinc/35/74/51/346357451.db2.gz KMXMFYBNIQBZEX-SECBINFHSA-N 1 2 210.277 1.521 20 70 BDIDLO CC(C)OC(=O)CSCCn1cc[nH+]c1 ZINC000160148830 346442781 /nfs/dbraw/zinc/44/27/81/346442781.db2.gz RHHVXIGBVOXQHX-UHFFFAOYSA-N 1 2 228.317 1.568 20 70 BDIDLO O[C@H](C[NH2+]Cc1nccs1)C(F)(F)F ZINC000218130430 491131971 /nfs/dbraw/zinc/13/19/71/491131971.db2.gz ZNVHYQZILKGKKH-RXMQYKEDSA-N 1 2 226.223 1.156 20 70 BDIDLO CCCNC(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000161141436 169227061 /nfs/dbraw/zinc/22/70/61/169227061.db2.gz BZJZZQRUQXEQGE-QMMMGPOBSA-N 1 2 227.333 1.320 20 70 BDIDLO COc1cc(C)[nH+]c(Cn2ccsc2=O)c1 ZINC000160242524 384396719 /nfs/dbraw/zinc/39/67/19/384396719.db2.gz TYVUJIJRLPCHLD-UHFFFAOYSA-N 1 2 236.296 1.670 20 70 BDIDLO CN(CCC1CC1)C(=O)NCCn1cc[nH+]c1 ZINC000160908082 384445183 /nfs/dbraw/zinc/44/51/83/384445183.db2.gz UGKQJSSWWCRROR-UHFFFAOYSA-N 1 2 236.319 1.325 20 70 BDIDLO CC[C@@H]1C(=O)NCCN1c1cc[nH+]c(C(C)C)n1 ZINC000160416484 387741940 /nfs/dbraw/zinc/74/19/40/387741940.db2.gz DAFKXKIFCODPDB-SNVBAGLBSA-N 1 2 248.330 1.315 20 70 BDIDLO CCn1nccc1C[NH2+]Cc1nccs1 ZINC000160060338 172271685 /nfs/dbraw/zinc/27/16/85/172271685.db2.gz FXMIJGJCWQKGSK-UHFFFAOYSA-N 1 2 222.317 1.649 20 70 BDIDLO Cn1c(Cn2cc[nH+]c2)nnc1-c1ccccc1 ZINC000160732314 323104158 /nfs/dbraw/zinc/10/41/58/323104158.db2.gz PUIFTQHCQPVUGP-UHFFFAOYSA-N 1 2 239.282 1.727 20 70 BDIDLO C[C@H](NCc1[nH+]ccn1C)c1cscn1 ZINC000161184190 323151175 /nfs/dbraw/zinc/15/11/75/323151175.db2.gz XMYFMXWLLWSKSX-QMMMGPOBSA-N 1 2 222.317 1.727 20 70 BDIDLO CC[C@H](CCO)Nc1[nH+]cccc1OC ZINC000217995257 324060129 /nfs/dbraw/zinc/06/01/29/324060129.db2.gz WQQZZRVLWWOGKY-SECBINFHSA-N 1 2 210.277 1.663 20 70 BDIDLO O[C@@H](C[NH2+]Cc1nccs1)C(F)(F)F ZINC000218130339 592152281 /nfs/dbraw/zinc/15/22/81/592152281.db2.gz ZNVHYQZILKGKKH-YFKPBYRVSA-N 1 2 226.223 1.156 20 70 BDIDLO COC(C[N@@H+]1CCO[C@H](c2ccco2)C1)OC ZINC000161499980 349466226 /nfs/dbraw/zinc/46/62/26/349466226.db2.gz YPUCSOIFFBMHBW-NSHDSACASA-N 1 2 241.287 1.272 20 70 BDIDLO COC(C[N@H+]1CCO[C@H](c2ccco2)C1)OC ZINC000161499980 349466230 /nfs/dbraw/zinc/46/62/30/349466230.db2.gz YPUCSOIFFBMHBW-NSHDSACASA-N 1 2 241.287 1.272 20 70 BDIDLO Cc1cc(N)nc(SCc2ccnn2C)[nH+]1 ZINC000161277463 178109863 /nfs/dbraw/zinc/10/98/63/178109863.db2.gz PPECIAUQTOUETA-UHFFFAOYSA-N 1 2 235.316 1.393 20 70 BDIDLO CC[C@](C)(O)CNc1[nH+]cccc1OC ZINC000159597396 323039968 /nfs/dbraw/zinc/03/99/68/323039968.db2.gz SLIMFVNAEQFNJG-NSHDSACASA-N 1 2 210.277 1.663 20 70 BDIDLO CCCCc1noc([C@H](C)[N@H+](C)C[C@@H](C)O)n1 ZINC000159563628 345442481 /nfs/dbraw/zinc/44/24/81/345442481.db2.gz OETGGEOAHLYSSX-ZJUUUORDSA-N 1 2 241.335 1.786 20 70 BDIDLO CCCCc1noc([C@H](C)[N@@H+](C)C[C@@H](C)O)n1 ZINC000159563628 345442483 /nfs/dbraw/zinc/44/24/83/345442483.db2.gz OETGGEOAHLYSSX-ZJUUUORDSA-N 1 2 241.335 1.786 20 70 BDIDLO Cc1cccc(C[N@@H+]2CCNC(=O)C2)c1C ZINC000160494810 179076527 /nfs/dbraw/zinc/07/65/27/179076527.db2.gz BXKWFNMPERHZJF-UHFFFAOYSA-N 1 2 218.300 1.235 20 70 BDIDLO Cc1cccc(C[N@H+]2CCNC(=O)C2)c1C ZINC000160494810 179076529 /nfs/dbraw/zinc/07/65/29/179076529.db2.gz BXKWFNMPERHZJF-UHFFFAOYSA-N 1 2 218.300 1.235 20 70 BDIDLO CCc1nnc(C[NH2+][C@H](CO)c2ccccc2)[nH]1 ZINC000160287802 346446811 /nfs/dbraw/zinc/44/68/11/346446811.db2.gz OCYQKIYAJUGODN-LLVKDONJSA-N 1 2 246.314 1.190 20 70 BDIDLO CC[N@H+](CC(=O)NC(C)C)Cc1occc1C ZINC000160407825 346452260 /nfs/dbraw/zinc/45/22/60/346452260.db2.gz AGCFLSUPLRBPRR-UHFFFAOYSA-N 1 2 238.331 1.935 20 70 BDIDLO CC[N@@H+](CC(=O)NC(C)C)Cc1occc1C ZINC000160407825 346452263 /nfs/dbraw/zinc/45/22/63/346452263.db2.gz AGCFLSUPLRBPRR-UHFFFAOYSA-N 1 2 238.331 1.935 20 70 BDIDLO C[C@@](CO)([NH2+]CC(F)F)c1ccccc1 ZINC000161183711 363342193 /nfs/dbraw/zinc/34/21/93/363342193.db2.gz MSNBIDOREIIMNS-NSHDSACASA-N 1 2 215.243 1.749 20 70 BDIDLO COc1ccc[nH+]c1N[C@H](C)CCCO ZINC000159483903 538877174 /nfs/dbraw/zinc/87/71/74/538877174.db2.gz DSUNDOGUJVSQIF-SECBINFHSA-N 1 2 210.277 1.663 20 70 BDIDLO CC[N@@H+](CC(=O)OC)C[C@@H]1CCC(C)(C)O1 ZINC000160825172 361329282 /nfs/dbraw/zinc/32/92/82/361329282.db2.gz MKULMLUAJIMNGM-JTQLQIEISA-N 1 2 229.320 1.439 20 70 BDIDLO CC[N@H+](CC(=O)OC)C[C@@H]1CCC(C)(C)O1 ZINC000160825172 361329286 /nfs/dbraw/zinc/32/92/86/361329286.db2.gz MKULMLUAJIMNGM-JTQLQIEISA-N 1 2 229.320 1.439 20 70 BDIDLO CCSCC[NH2+]C(C)(C)C(=O)OC ZINC000159528759 201685406 /nfs/dbraw/zinc/68/54/06/201685406.db2.gz SDNLYVHIDDLWNN-UHFFFAOYSA-N 1 2 205.323 1.281 20 70 BDIDLO c1cn(CCSC2CCOCC2)c[nH+]1 ZINC000160335253 384402563 /nfs/dbraw/zinc/40/25/63/384402563.db2.gz PXAPPCZCKGDCFN-UHFFFAOYSA-N 1 2 212.318 1.795 20 70 BDIDLO Cn1ncc2c1nc[nH+]c2NC1(C)CCC1 ZINC000159972427 384376087 /nfs/dbraw/zinc/37/60/87/384376087.db2.gz UIUQGXOOUHCAFS-UHFFFAOYSA-N 1 2 217.276 1.718 20 70 BDIDLO CCc1ccc([C@@H](CO)[NH2+]Cc2ncc[nH]2)cc1 ZINC000160768226 386761723 /nfs/dbraw/zinc/76/17/23/386761723.db2.gz VBOJNIDNZGPDCW-CYBMUJFWSA-N 1 2 245.326 1.795 20 70 BDIDLO Cc1nc(CN(C)CCn2cc[nH+]c2)cs1 ZINC000159779226 388031755 /nfs/dbraw/zinc/03/17/55/388031755.db2.gz PMJDNLFJVDNPPV-UHFFFAOYSA-N 1 2 236.344 1.780 20 70 BDIDLO c1[nH]nnc1C[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000216850194 411227209 /nfs/dbraw/zinc/22/72/09/411227209.db2.gz OGGMTHHITSNVKI-UHFFFAOYSA-N 1 2 246.358 1.967 20 70 BDIDLO c1n[nH]nc1C[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000216850194 411227211 /nfs/dbraw/zinc/22/72/11/411227211.db2.gz OGGMTHHITSNVKI-UHFFFAOYSA-N 1 2 246.358 1.967 20 70 BDIDLO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000161142366 170087671 /nfs/dbraw/zinc/08/76/71/170087671.db2.gz USBTUHZXUKOCLG-JGVFFNPUSA-N 1 2 227.333 1.318 20 70 BDIDLO CC[C@@H](COC)Nc1[nH+]cccc1OC ZINC000159470113 322969928 /nfs/dbraw/zinc/96/99/28/322969928.db2.gz YLLNDZJECKABLM-VIFPVBQESA-N 1 2 210.277 1.927 20 70 BDIDLO COc1ccc[nH+]c1NC[C@]1(OC)CCOC1 ZINC000160644243 323074672 /nfs/dbraw/zinc/07/46/72/323074672.db2.gz FHZBAZLUPJQEFW-GFCCVEGCSA-N 1 2 238.287 1.308 20 70 BDIDLO C[C@@H](NCc1[nH+]ccn1C)c1cscn1 ZINC000161184310 323151125 /nfs/dbraw/zinc/15/11/25/323151125.db2.gz XMYFMXWLLWSKSX-MRVPVSSYSA-N 1 2 222.317 1.727 20 70 BDIDLO Cc1cc(N[C@@H](CO)CC(C)(C)C)nc[nH+]1 ZINC000161441545 178180127 /nfs/dbraw/zinc/18/01/27/178180127.db2.gz DGFNOKBMFKDQLT-SNVBAGLBSA-N 1 2 223.320 1.994 20 70 BDIDLO CCOC(=O)C[N@H+](CCOCC1CC1)C1CC1 ZINC000159603969 345445807 /nfs/dbraw/zinc/44/58/07/345445807.db2.gz SQCKPNWGTMDDNA-UHFFFAOYSA-N 1 2 241.331 1.441 20 70 BDIDLO CCOC(=O)C[N@@H+](CCOCC1CC1)C1CC1 ZINC000159603969 345445810 /nfs/dbraw/zinc/44/58/10/345445810.db2.gz SQCKPNWGTMDDNA-UHFFFAOYSA-N 1 2 241.331 1.441 20 70 BDIDLO CC(C)(C)c1noc(OCCn2cc[nH+]c2)n1 ZINC000160136585 188047426 /nfs/dbraw/zinc/04/74/26/188047426.db2.gz WPTHAYMBYJVULM-UHFFFAOYSA-N 1 2 236.275 1.643 20 70 BDIDLO Cn1cnnc1C[N@H+](C)Cc1ccccc1 ZINC000160669745 357166296 /nfs/dbraw/zinc/16/62/96/357166296.db2.gz DPZGYWFKGFWYQU-UHFFFAOYSA-N 1 2 216.288 1.447 20 70 BDIDLO Cn1cnnc1C[N@@H+](C)Cc1ccccc1 ZINC000160669745 357166300 /nfs/dbraw/zinc/16/63/00/357166300.db2.gz DPZGYWFKGFWYQU-UHFFFAOYSA-N 1 2 216.288 1.447 20 70 BDIDLO C[C@@H](CO)SCCCn1cc[nH+]c1 ZINC000161229836 384937302 /nfs/dbraw/zinc/93/73/02/384937302.db2.gz VUZOIOGJKHRGJV-VIFPVBQESA-N 1 2 200.307 1.387 20 70 BDIDLO Cc1nc(N[C@H]2CC[C@@H](CO)CC2)cc[nH+]1 ZINC000161316911 384966490 /nfs/dbraw/zinc/96/64/90/384966490.db2.gz RHNCZWMEVQASFT-XYPYZODXSA-N 1 2 221.304 1.748 20 70 BDIDLO FC(F)CSCC[NH+]1CCOCC1 ZINC000159806343 388030870 /nfs/dbraw/zinc/03/08/70/388030870.db2.gz HYLLBOBRNVTHNG-UHFFFAOYSA-N 1 2 211.277 1.317 20 70 BDIDLO Cc1nc(N2CCC[C@](C)(O)C2)cc[nH+]1 ZINC000160842779 388094195 /nfs/dbraw/zinc/09/41/95/388094195.db2.gz INXLVQYSIUZWBP-NSHDSACASA-N 1 2 207.277 1.136 20 70 BDIDLO CSC[C@@](C)(O)CNc1cc(C)[nH+]cn1 ZINC000217507231 134248961 /nfs/dbraw/zinc/24/89/61/134248961.db2.gz QCOQZZACBWEUTK-JTQLQIEISA-N 1 2 227.333 1.311 20 70 BDIDLO Cc1cccc(C(=O)N2CC[NH+](C)CC2)c1F ZINC000161384388 179009487 /nfs/dbraw/zinc/00/94/87/179009487.db2.gz JUEUBNMZQOKECA-UHFFFAOYSA-N 1 2 236.290 1.522 20 70 BDIDLO C[C@@H]1OCC[C@H]1SCCn1cc[nH+]c1 ZINC000160332236 384401790 /nfs/dbraw/zinc/40/17/90/384401790.db2.gz NYKSXYMIMIXDAY-VHSXEESVSA-N 1 2 212.318 1.794 20 70 BDIDLO COC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160194979 384655715 /nfs/dbraw/zinc/65/57/15/384655715.db2.gz WLLWDPDUWDZJBJ-LBPRGKRZSA-N 1 2 234.299 1.700 20 70 BDIDLO COC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160194979 384655723 /nfs/dbraw/zinc/65/57/23/384655723.db2.gz WLLWDPDUWDZJBJ-LBPRGKRZSA-N 1 2 234.299 1.700 20 70 BDIDLO Cn1cnnc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000160803277 323136149 /nfs/dbraw/zinc/13/61/49/323136149.db2.gz GAIVSQMQCMWZHL-NSHDSACASA-N 1 2 231.303 1.480 20 70 BDIDLO Cn1cnnc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000160803277 323136150 /nfs/dbraw/zinc/13/61/50/323136150.db2.gz GAIVSQMQCMWZHL-NSHDSACASA-N 1 2 231.303 1.480 20 70 BDIDLO C[C@@H]([NH2+]Cc1ccnn1C)c1cscn1 ZINC000161154266 323149495 /nfs/dbraw/zinc/14/94/95/323149495.db2.gz IMBBJACAAGVCKL-MRVPVSSYSA-N 1 2 222.317 1.727 20 70 BDIDLO CCc1nc(C[N@@H+]2CCCSCC2)no1 ZINC000161483441 349463079 /nfs/dbraw/zinc/46/30/79/349463079.db2.gz ZJTPGOSYHYADMA-UHFFFAOYSA-N 1 2 227.333 1.571 20 70 BDIDLO CCc1nc(C[N@H+]2CCCSCC2)no1 ZINC000161483441 349463082 /nfs/dbraw/zinc/46/30/82/349463082.db2.gz ZJTPGOSYHYADMA-UHFFFAOYSA-N 1 2 227.333 1.571 20 70 BDIDLO COC(C[N@@H+]1CCO[C@@H](c2ccco2)C1)OC ZINC000161500108 349466173 /nfs/dbraw/zinc/46/61/73/349466173.db2.gz YPUCSOIFFBMHBW-LLVKDONJSA-N 1 2 241.287 1.272 20 70 BDIDLO COC(C[N@H+]1CCO[C@@H](c2ccco2)C1)OC ZINC000161500108 349466174 /nfs/dbraw/zinc/46/61/74/349466174.db2.gz YPUCSOIFFBMHBW-LLVKDONJSA-N 1 2 241.287 1.272 20 70 BDIDLO CC[C@@]1(C)C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000159790816 323047868 /nfs/dbraw/zinc/04/78/68/323047868.db2.gz FDWYSNZLPYXMQA-JQWIXIFHSA-N 1 2 221.304 1.436 20 70 BDIDLO Cc1cnc(SCCn2cc[nH+]c2)nc1 ZINC000160098395 187301490 /nfs/dbraw/zinc/30/14/90/187301490.db2.gz YLSBFQSJENHPEW-UHFFFAOYSA-N 1 2 220.301 1.774 20 70 BDIDLO CCCCc1noc([C@@H](C)[N@H+](C)C[C@@H](C)O)n1 ZINC000159563511 345442912 /nfs/dbraw/zinc/44/29/12/345442912.db2.gz OETGGEOAHLYSSX-NXEZZACHSA-N 1 2 241.335 1.786 20 70 BDIDLO CCCCc1noc([C@@H](C)[N@@H+](C)C[C@@H](C)O)n1 ZINC000159563511 345442913 /nfs/dbraw/zinc/44/29/13/345442913.db2.gz OETGGEOAHLYSSX-NXEZZACHSA-N 1 2 241.335 1.786 20 70 BDIDLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cn1 ZINC000160917402 349338796 /nfs/dbraw/zinc/33/87/96/349338796.db2.gz QKXVICCRXICTQP-ZDUSSCGKSA-N 1 2 248.326 1.918 20 70 BDIDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C)cn1 ZINC000160917402 349338800 /nfs/dbraw/zinc/33/88/00/349338800.db2.gz QKXVICCRXICTQP-ZDUSSCGKSA-N 1 2 248.326 1.918 20 70 BDIDLO COc1ccc[nH+]c1NCC(C)(C)CO ZINC000160255248 355761784 /nfs/dbraw/zinc/76/17/84/355761784.db2.gz CSQFHSFGDDRBTL-UHFFFAOYSA-N 1 2 210.277 1.521 20 70 BDIDLO CCc1cc(NC(C)(C)[C@@H](C)O)nc[nH+]1 ZINC000160572232 538885238 /nfs/dbraw/zinc/88/52/38/538885238.db2.gz XBLCKXLVLVEPFO-MRVPVSSYSA-N 1 2 209.293 1.610 20 70 BDIDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1nccs1 ZINC000217999913 372043153 /nfs/dbraw/zinc/04/31/53/372043153.db2.gz SVMRVQYSXMJPRC-QMMMGPOBSA-N 1 2 225.317 1.566 20 70 BDIDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1nccs1 ZINC000217999913 372043156 /nfs/dbraw/zinc/04/31/56/372043156.db2.gz SVMRVQYSXMJPRC-QMMMGPOBSA-N 1 2 225.317 1.566 20 70 BDIDLO CCOC[C@H](C)Nc1[nH+]cccc1OC ZINC000159463826 384223809 /nfs/dbraw/zinc/22/38/09/384223809.db2.gz YCCDFKMOUMTEDO-VIFPVBQESA-N 1 2 210.277 1.927 20 70 BDIDLO Cc1ccc(C[N@@H+](C)Cc2cnnn2C)o1 ZINC000160844710 384439272 /nfs/dbraw/zinc/43/92/72/384439272.db2.gz NKNVSWXRPIAWGL-UHFFFAOYSA-N 1 2 220.276 1.349 20 70 BDIDLO Cc1ccc(C[N@H+](C)Cc2cnnn2C)o1 ZINC000160844710 384439285 /nfs/dbraw/zinc/43/92/85/384439285.db2.gz NKNVSWXRPIAWGL-UHFFFAOYSA-N 1 2 220.276 1.349 20 70 BDIDLO CCc1ccc([C@H](CO)[NH2+]Cc2ncc[nH]2)cc1 ZINC000160768317 386761820 /nfs/dbraw/zinc/76/18/20/386761820.db2.gz VBOJNIDNZGPDCW-ZDUSSCGKSA-N 1 2 245.326 1.795 20 70 BDIDLO Cc1ccoc1C[NH2+]Cc1ccn(C)n1 ZINC000160805879 388091309 /nfs/dbraw/zinc/09/13/09/388091309.db2.gz QUJGQBGUPBLKKX-UHFFFAOYSA-N 1 2 205.261 1.611 20 70 BDIDLO CCNC(=O)C(C)(C)CNc1cccc[nH+]1 ZINC000161335639 170042974 /nfs/dbraw/zinc/04/29/74/170042974.db2.gz ZLVJYXJZXAUTPL-UHFFFAOYSA-N 1 2 221.304 1.656 20 70 BDIDLO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000161142499 170095153 /nfs/dbraw/zinc/09/51/53/170095153.db2.gz USBTUHZXUKOCLG-YUMQZZPRSA-N 1 2 227.333 1.318 20 70 BDIDLO CCOC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000160029326 323057896 /nfs/dbraw/zinc/05/78/96/323057896.db2.gz HLNIKDUQWGTOKV-JTQLQIEISA-N 1 2 247.360 1.003 20 70 BDIDLO C[C@H]([NH2+]Cc1cnn(C)c1)c1cscn1 ZINC000161162958 323149635 /nfs/dbraw/zinc/14/96/35/323149635.db2.gz MLIKUKOUEHSKDJ-QMMMGPOBSA-N 1 2 222.317 1.727 20 70 BDIDLO CC[C@@]1(C)C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000159790546 323047873 /nfs/dbraw/zinc/04/78/73/323047873.db2.gz FDWYSNZLPYXMQA-PWSUYJOCSA-N 1 2 221.304 1.436 20 70 BDIDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000159853523 345569672 /nfs/dbraw/zinc/56/96/72/345569672.db2.gz OMMIQWGLKLSUGX-GFCCVEGCSA-N 1 2 234.299 1.527 20 70 BDIDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C)cn1 ZINC000159853523 345569673 /nfs/dbraw/zinc/56/96/73/345569673.db2.gz OMMIQWGLKLSUGX-GFCCVEGCSA-N 1 2 234.299 1.527 20 70 BDIDLO CCc1nnc(C[NH2+][C@@H](C)c2cccnc2)[nH]1 ZINC000160276477 346042145 /nfs/dbraw/zinc/04/21/45/346042145.db2.gz QDDHMPRNFUTVLQ-VIFPVBQESA-N 1 2 231.303 1.613 20 70 BDIDLO C[C@@H]1CC[C@H](C(=O)Nc2cc[nH+]cc2O)O1 ZINC000159733382 350989809 /nfs/dbraw/zinc/98/98/09/350989809.db2.gz OOFKNJWQVUEWOW-GMSGAONNSA-N 1 2 222.244 1.293 20 70 BDIDLO Cn1cc[nH+]c1CN1CCOc2ccccc21 ZINC000160769053 386762022 /nfs/dbraw/zinc/76/20/22/386762022.db2.gz RGAZJBIQWNSQMY-UHFFFAOYSA-N 1 2 229.283 1.819 20 70 BDIDLO CC1(O)C[NH+](C/C=C\c2ccccc2)C1 ZINC000217472554 411415685 /nfs/dbraw/zinc/41/56/85/411415685.db2.gz FJVDMCYYMWFPMZ-YVMONPNESA-N 1 2 203.285 1.766 20 70 BDIDLO CCc1noc([C@H](C)[N@H+](C)C[C@@H](C)O)n1 ZINC000159363167 345425937 /nfs/dbraw/zinc/42/59/37/345425937.db2.gz RZWSLYVSTLIZOE-SFYZADRCSA-N 1 2 213.281 1.006 20 70 BDIDLO CCc1noc([C@H](C)[N@@H+](C)C[C@@H](C)O)n1 ZINC000159363167 345425939 /nfs/dbraw/zinc/42/59/39/345425939.db2.gz RZWSLYVSTLIZOE-SFYZADRCSA-N 1 2 213.281 1.006 20 70 BDIDLO CCc1nc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)no1 ZINC000159835458 345558605 /nfs/dbraw/zinc/55/86/05/345558605.db2.gz BUCYMKZZMAPWLG-ZJUUUORDSA-N 1 2 239.319 1.225 20 70 BDIDLO CCc1nc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)no1 ZINC000159835458 345558607 /nfs/dbraw/zinc/55/86/07/345558607.db2.gz BUCYMKZZMAPWLG-ZJUUUORDSA-N 1 2 239.319 1.225 20 70 BDIDLO CCn1cc[nH+]c1CN1CCOC[C@H]1C ZINC000160775170 349321425 /nfs/dbraw/zinc/32/14/25/349321425.db2.gz YUKZCDFDDKICGD-SNVBAGLBSA-N 1 2 209.293 1.124 20 70 BDIDLO COc1ccc[nH+]c1NCC1CCOCC1 ZINC000159449195 541494010 /nfs/dbraw/zinc/49/40/10/541494010.db2.gz FRLYWKJIPHVZDA-UHFFFAOYSA-N 1 2 222.288 1.929 20 70 BDIDLO Cc1ccc(C[N@@H+](C)Cc2cc[nH]n2)o1 ZINC000160876385 384443581 /nfs/dbraw/zinc/44/35/81/384443581.db2.gz SZWSCQFJXABSBA-UHFFFAOYSA-N 1 2 205.261 1.943 20 70 BDIDLO Cc1ccc(C[N@H+](C)Cc2cc[nH]n2)o1 ZINC000160876385 384443585 /nfs/dbraw/zinc/44/35/85/384443585.db2.gz SZWSCQFJXABSBA-UHFFFAOYSA-N 1 2 205.261 1.943 20 70 BDIDLO Cn1nncc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000161142256 385805570 /nfs/dbraw/zinc/80/55/70/385805570.db2.gz XCEQDXHXDVUYNF-UHFFFAOYSA-N 1 2 234.278 1.586 20 70 BDIDLO Cn1nncc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000161142256 385805575 /nfs/dbraw/zinc/80/55/75/385805575.db2.gz XCEQDXHXDVUYNF-UHFFFAOYSA-N 1 2 234.278 1.586 20 70 BDIDLO CC[C@H]1C(=O)NCCN1c1cc[nH+]c(C(C)C)n1 ZINC000160416597 387741893 /nfs/dbraw/zinc/74/18/93/387741893.db2.gz DAFKXKIFCODPDB-JTQLQIEISA-N 1 2 248.330 1.315 20 70 BDIDLO CC(C)n1cc[nH+]c1CN(C)Cc1cnn(C)c1 ZINC000160703863 388085640 /nfs/dbraw/zinc/08/56/40/388085640.db2.gz QIWNBPBOCKKDKE-UHFFFAOYSA-N 1 2 247.346 1.830 20 70 BDIDLO COC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159744758 323046650 /nfs/dbraw/zinc/04/66/50/323046650.db2.gz GQISMXZOFNMVNX-UHFFFAOYSA-N 1 2 242.344 1.569 20 70 BDIDLO COC(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159744758 323046651 /nfs/dbraw/zinc/04/66/51/323046651.db2.gz GQISMXZOFNMVNX-UHFFFAOYSA-N 1 2 242.344 1.569 20 70 BDIDLO C[C@@H]1COC[C@H](C)[N@H+]1Cc1cnc2ccccn12 ZINC000160572041 323072825 /nfs/dbraw/zinc/07/28/25/323072825.db2.gz HTGNXJXTXKXGEW-TXEJJXNPSA-N 1 2 245.326 1.944 20 70 BDIDLO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1cnc2ccccn12 ZINC000160572041 323072826 /nfs/dbraw/zinc/07/28/26/323072826.db2.gz HTGNXJXTXKXGEW-TXEJJXNPSA-N 1 2 245.326 1.944 20 70 BDIDLO CCOC[C@@H](C)Nc1[nH+]cccc1OC ZINC000159463691 398309312 /nfs/dbraw/zinc/30/93/12/398309312.db2.gz YCCDFKMOUMTEDO-SECBINFHSA-N 1 2 210.277 1.927 20 70 BDIDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1nccs1 ZINC000217999824 344211191 /nfs/dbraw/zinc/21/11/91/344211191.db2.gz SVMRVQYSXMJPRC-MRVPVSSYSA-N 1 2 225.317 1.566 20 70 BDIDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1nccs1 ZINC000217999824 344211193 /nfs/dbraw/zinc/21/11/93/344211193.db2.gz SVMRVQYSXMJPRC-MRVPVSSYSA-N 1 2 225.317 1.566 20 70 BDIDLO CCc1noc([C@@H](C)[N@H+](C)C[C@@H](C)O)n1 ZINC000159363023 345426095 /nfs/dbraw/zinc/42/60/95/345426095.db2.gz RZWSLYVSTLIZOE-HTQZYQBOSA-N 1 2 213.281 1.006 20 70 BDIDLO CCc1noc([C@@H](C)[N@@H+](C)C[C@@H](C)O)n1 ZINC000159363023 345426098 /nfs/dbraw/zinc/42/60/98/345426098.db2.gz RZWSLYVSTLIZOE-HTQZYQBOSA-N 1 2 213.281 1.006 20 70 BDIDLO CC[N@H+](Cc1cccs1)Cc1nncn1C ZINC000160705343 323103600 /nfs/dbraw/zinc/10/36/00/323103600.db2.gz UMSPPPGRUQKWHM-UHFFFAOYSA-N 1 2 236.344 1.899 20 70 BDIDLO CC[N@@H+](Cc1cccs1)Cc1nncn1C ZINC000160705343 323103601 /nfs/dbraw/zinc/10/36/01/323103601.db2.gz UMSPPPGRUQKWHM-UHFFFAOYSA-N 1 2 236.344 1.899 20 70 BDIDLO CCc1nnc(C[NH2+][C@@H](CO)c2ccccc2)[nH]1 ZINC000160287675 346446700 /nfs/dbraw/zinc/44/67/00/346446700.db2.gz OCYQKIYAJUGODN-NSHDSACASA-N 1 2 246.314 1.190 20 70 BDIDLO Cc1nc(N[C@H](CO)CC(C)(C)C)cc[nH+]1 ZINC000161412943 180204885 /nfs/dbraw/zinc/20/48/85/180204885.db2.gz OJJSDGOGDUWHCH-JTQLQIEISA-N 1 2 223.320 1.994 20 70 BDIDLO CCc1nnc(C[NH2+][C@H](C)c2c(C)noc2C)[nH]1 ZINC000160438192 538884613 /nfs/dbraw/zinc/88/46/13/538884613.db2.gz QMKRQLKSGJWVKF-SSDOTTSWSA-N 1 2 249.318 1.823 20 70 BDIDLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)nc1 ZINC000160115794 541495625 /nfs/dbraw/zinc/49/56/25/541495625.db2.gz KVHIMFKKNYCZFJ-CYBMUJFWSA-N 1 2 247.342 1.346 20 70 BDIDLO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)nc1 ZINC000160115794 541495630 /nfs/dbraw/zinc/49/56/30/541495630.db2.gz KVHIMFKKNYCZFJ-CYBMUJFWSA-N 1 2 247.342 1.346 20 70 BDIDLO C[C@@H]1OCC[C@@H]1SCCn1cc[nH+]c1 ZINC000160332485 384404036 /nfs/dbraw/zinc/40/40/36/384404036.db2.gz NYKSXYMIMIXDAY-UWVGGRQHSA-N 1 2 212.318 1.794 20 70 BDIDLO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1cscn1 ZINC000161179858 384882432 /nfs/dbraw/zinc/88/24/32/384882432.db2.gz WWNVUNVUBACTRX-SFYZADRCSA-N 1 2 225.317 1.072 20 70 BDIDLO CCOC(=O)C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000160279628 385039011 /nfs/dbraw/zinc/03/90/11/385039011.db2.gz ZZWAPFHMVKQMLB-ZDUSSCGKSA-N 1 2 248.326 1.736 20 70 BDIDLO CCOC(=O)C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000160279628 385039023 /nfs/dbraw/zinc/03/90/23/385039023.db2.gz ZZWAPFHMVKQMLB-ZDUSSCGKSA-N 1 2 248.326 1.736 20 70 BDIDLO C[N@H+](CC(=O)c1ccccc1F)[C@H]1CCOC1 ZINC000160031994 386034207 /nfs/dbraw/zinc/03/42/07/386034207.db2.gz LWYRBBVKMGFFIU-JTQLQIEISA-N 1 2 237.274 1.729 20 70 BDIDLO C[N@@H+](CC(=O)c1ccccc1F)[C@H]1CCOC1 ZINC000160031994 386034211 /nfs/dbraw/zinc/03/42/11/386034211.db2.gz LWYRBBVKMGFFIU-JTQLQIEISA-N 1 2 237.274 1.729 20 70 BDIDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)cn1 ZINC000159853708 134792719 /nfs/dbraw/zinc/79/27/19/134792719.db2.gz OMMIQWGLKLSUGX-LBPRGKRZSA-N 1 2 234.299 1.527 20 70 BDIDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)cn1 ZINC000159853708 134792722 /nfs/dbraw/zinc/79/27/22/134792722.db2.gz OMMIQWGLKLSUGX-LBPRGKRZSA-N 1 2 234.299 1.527 20 70 BDIDLO CC[C@]1(C)C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000159790701 323047859 /nfs/dbraw/zinc/04/78/59/323047859.db2.gz FDWYSNZLPYXMQA-CMPLNLGQSA-N 1 2 221.304 1.436 20 70 BDIDLO CCOC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000160029199 323057894 /nfs/dbraw/zinc/05/78/94/323057894.db2.gz HLNIKDUQWGTOKV-SNVBAGLBSA-N 1 2 247.360 1.003 20 70 BDIDLO COc1ccc[nH+]c1NCCn1cccn1 ZINC000160217194 323064136 /nfs/dbraw/zinc/06/41/36/323064136.db2.gz ZBQMZEXNTWLMIX-UHFFFAOYSA-N 1 2 218.260 1.399 20 70 BDIDLO COC[C@H](C)CNc1[nH+]cccc1OC ZINC000160224784 323064258 /nfs/dbraw/zinc/06/42/58/323064258.db2.gz MQEIHCTWFGFURZ-SECBINFHSA-N 1 2 210.277 1.785 20 70 BDIDLO Cc1ccc(C[N@@H+](C)Cc2nncn2C)cc1 ZINC000160687104 323103253 /nfs/dbraw/zinc/10/32/53/323103253.db2.gz MZEYXLHMVUFVIM-UHFFFAOYSA-N 1 2 230.315 1.756 20 70 BDIDLO Cc1ccc(C[N@H+](C)Cc2nncn2C)cc1 ZINC000160687104 323103254 /nfs/dbraw/zinc/10/32/54/323103254.db2.gz MZEYXLHMVUFVIM-UHFFFAOYSA-N 1 2 230.315 1.756 20 70 BDIDLO O=C(/C=C\c1cccnc1)NCc1[nH]cc[nH+]1 ZINC000216999876 259380053 /nfs/dbraw/zinc/38/00/53/259380053.db2.gz HVVGXFAYMZIBQF-ARJAWSKDSA-N 1 2 228.255 1.134 20 70 BDIDLO C[C@@H](O)C[N@H+](C)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000159430754 345433517 /nfs/dbraw/zinc/43/35/17/345433517.db2.gz KFPQWMBJPZRGSM-BDAKNGLRSA-N 1 2 241.335 1.741 20 70 BDIDLO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000159430754 345433518 /nfs/dbraw/zinc/43/35/18/345433518.db2.gz KFPQWMBJPZRGSM-BDAKNGLRSA-N 1 2 241.335 1.741 20 70 BDIDLO CCCNC(=O)CNc1[nH+]cccc1OC ZINC000160210031 353694233 /nfs/dbraw/zinc/69/42/33/353694233.db2.gz HEJNDFWUOSUUAX-UHFFFAOYSA-N 1 2 223.276 1.028 20 70 BDIDLO COCCOCCNc1[nH+]cccc1OC ZINC000160221991 353780693 /nfs/dbraw/zinc/78/06/93/353780693.db2.gz AJYRAALAAAZSGO-UHFFFAOYSA-N 1 2 226.276 1.165 20 70 BDIDLO O=C(NCCCn1cc[nH+]c1)NC1CC=CC1 ZINC000160291208 538883956 /nfs/dbraw/zinc/88/39/56/538883956.db2.gz HMQHYURMHAMTAL-UHFFFAOYSA-N 1 2 234.303 1.291 20 70 BDIDLO COC(=O)C[N@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000159602699 361265618 /nfs/dbraw/zinc/26/56/18/361265618.db2.gz IRTPIGYHRKWIPZ-SECBINFHSA-N 1 2 215.293 1.049 20 70 BDIDLO COC(=O)C[N@@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000159602699 361265622 /nfs/dbraw/zinc/26/56/22/361265622.db2.gz IRTPIGYHRKWIPZ-SECBINFHSA-N 1 2 215.293 1.049 20 70 BDIDLO CCc1nc(C(=O)Nc2cc[nH+]cc2O)co1 ZINC000159371534 384006422 /nfs/dbraw/zinc/00/64/22/384006422.db2.gz KSDLCRAZDPJBKV-UHFFFAOYSA-N 1 2 233.227 1.590 20 70 BDIDLO Cc1ccc(C[N@@H+](C)Cc2ccnn2C)o1 ZINC000160866932 384443707 /nfs/dbraw/zinc/44/37/07/384443707.db2.gz DBUPPNCGHCXKOR-UHFFFAOYSA-N 1 2 219.288 1.954 20 70 BDIDLO Cc1ccc(C[N@H+](C)Cc2ccnn2C)o1 ZINC000160866932 384443713 /nfs/dbraw/zinc/44/37/13/384443713.db2.gz DBUPPNCGHCXKOR-UHFFFAOYSA-N 1 2 219.288 1.954 20 70 BDIDLO C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1cscn1 ZINC000161179600 384883947 /nfs/dbraw/zinc/88/39/47/384883947.db2.gz WWNVUNVUBACTRX-HTQZYQBOSA-N 1 2 225.317 1.072 20 70 BDIDLO Cc1nc(N(C)CC2CCOCC2)cc[nH+]1 ZINC000161285506 387179055 /nfs/dbraw/zinc/17/90/55/387179055.db2.gz HDAGVEUYLWAGSM-UHFFFAOYSA-N 1 2 221.304 1.648 20 70 BDIDLO CSC[C@](C)(O)CNc1cc(C)[nH+]cn1 ZINC000217507310 134248783 /nfs/dbraw/zinc/24/87/83/134248783.db2.gz QCOQZZACBWEUTK-SNVBAGLBSA-N 1 2 227.333 1.311 20 70 BDIDLO Cc1ccc(/C=C\C(=O)NCc2[nH]cc[nH+]2)o1 ZINC000216998679 398088273 /nfs/dbraw/zinc/08/82/73/398088273.db2.gz STOYIOCHDRSKFR-PLNGDYQASA-N 1 2 231.255 1.641 20 70 BDIDLO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000161142738 170095810 /nfs/dbraw/zinc/09/58/10/170095810.db2.gz USBTUHZXUKOCLG-SFYZADRCSA-N 1 2 227.333 1.318 20 70 BDIDLO CCCCS(=O)(=O)Cc1[nH+]ccn1C ZINC000161188626 349392006 /nfs/dbraw/zinc/39/20/06/349392006.db2.gz CIHDAGJFDUQTMZ-UHFFFAOYSA-N 1 2 216.306 1.135 20 70 BDIDLO COCCCCNc1[nH+]cccc1OC ZINC000160221398 353773882 /nfs/dbraw/zinc/77/38/82/353773882.db2.gz MHJBFSYUZYSAQV-UHFFFAOYSA-N 1 2 210.277 1.929 20 70 BDIDLO c1csc(CSCC[NH+]2CCOCC2)n1 ZINC000160004408 384376254 /nfs/dbraw/zinc/37/62/54/384376254.db2.gz MGDCYQLRYOPCNT-UHFFFAOYSA-N 1 2 244.385 1.709 20 70 BDIDLO CC(C)(C)CCC(=O)NCc1[nH]cc[nH+]1 ZINC000159860993 388034784 /nfs/dbraw/zinc/03/47/84/388034784.db2.gz WANIDKXXKJCWDH-UHFFFAOYSA-N 1 2 209.293 1.852 20 70 BDIDLO COc1c(C[NH2+]Cc2occc2C)c(C)nn1C ZINC000160167042 388049261 /nfs/dbraw/zinc/04/92/61/388049261.db2.gz UNJHBHXPNJSUHY-UHFFFAOYSA-N 1 2 249.314 1.928 20 70 BDIDLO CC[C@H](COC)Nc1[nH+]cccc1OC ZINC000159470238 322969916 /nfs/dbraw/zinc/96/99/16/322969916.db2.gz YLLNDZJECKABLM-SECBINFHSA-N 1 2 210.277 1.927 20 70 BDIDLO COc1ccc[nH+]c1NC[C@H]1CCCO1 ZINC000160198687 323063241 /nfs/dbraw/zinc/06/32/41/323063241.db2.gz KHNWYDQYZGVLPW-SECBINFHSA-N 1 2 208.261 1.681 20 70 BDIDLO COc1ccc[nH+]c1N1CCC(O)CC1 ZINC000160302437 323064858 /nfs/dbraw/zinc/06/48/58/323064858.db2.gz WLFJLGVYXUBCBL-UHFFFAOYSA-N 1 2 208.261 1.051 20 70 BDIDLO Cn1cnnc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000160747512 323105030 /nfs/dbraw/zinc/10/50/30/323105030.db2.gz YXDYLYZQIWCTHZ-UHFFFAOYSA-N 1 2 242.326 1.980 20 70 BDIDLO Cn1cnnc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000160747512 323105031 /nfs/dbraw/zinc/10/50/31/323105031.db2.gz YXDYLYZQIWCTHZ-UHFFFAOYSA-N 1 2 242.326 1.980 20 70 BDIDLO O=C(Cc1cn2ccccc2[nH+]1)NC1CC=CC1 ZINC000160851659 538912811 /nfs/dbraw/zinc/91/28/11/538912811.db2.gz FMZMLJGKLKDCKJ-UHFFFAOYSA-N 1 2 241.294 1.712 20 70 BDIDLO COc1ccc[nH+]c1N[C@@H]1CCCOC1 ZINC000159470928 398309955 /nfs/dbraw/zinc/30/99/55/398309955.db2.gz NJSVHTFSSKBRLU-SECBINFHSA-N 1 2 208.261 1.681 20 70 BDIDLO CC(C)CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159573861 538878198 /nfs/dbraw/zinc/87/81/98/538878198.db2.gz VETFMNJBIOOSQY-GFCCVEGCSA-N 1 2 249.358 1.950 20 70 BDIDLO CCc1nnc(C[NH2+][C@@H](C)c2c(C)noc2C)[nH]1 ZINC000160438053 538884728 /nfs/dbraw/zinc/88/47/28/538884728.db2.gz QMKRQLKSGJWVKF-ZETCQYMHSA-N 1 2 249.318 1.823 20 70 BDIDLO CCOC(=O)C[N@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000160825588 358952503 /nfs/dbraw/zinc/95/25/03/358952503.db2.gz OEHJHGYDWMXWFK-SNVBAGLBSA-N 1 2 229.320 1.439 20 70 BDIDLO CCOC(=O)C[N@@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000160825588 358952509 /nfs/dbraw/zinc/95/25/09/358952509.db2.gz OEHJHGYDWMXWFK-SNVBAGLBSA-N 1 2 229.320 1.439 20 70 BDIDLO C[C@H](CO)SCCCn1cc[nH+]c1 ZINC000161229945 384936812 /nfs/dbraw/zinc/93/68/12/384936812.db2.gz VUZOIOGJKHRGJV-SECBINFHSA-N 1 2 200.307 1.387 20 70 BDIDLO Cc1ccccc1C[N@@H+](C)Cc1nncn1C ZINC000160686542 388083979 /nfs/dbraw/zinc/08/39/79/388083979.db2.gz OHRPSCHCFNNMGX-UHFFFAOYSA-N 1 2 230.315 1.756 20 70 BDIDLO Cc1ccccc1C[N@H+](C)Cc1nncn1C ZINC000160686542 388083981 /nfs/dbraw/zinc/08/39/81/388083981.db2.gz OHRPSCHCFNNMGX-UHFFFAOYSA-N 1 2 230.315 1.756 20 70 BDIDLO COc1cc(C)[nH+]c(Cn2cccc(C)c2=O)c1 ZINC000160974191 397773010 /nfs/dbraw/zinc/77/30/10/397773010.db2.gz YWZCNTQAUWPHRQ-UHFFFAOYSA-N 1 2 244.294 1.917 20 70 BDIDLO CCc1nnc(C[N@@H+]2CCCSCC2)[nH]1 ZINC000159613052 323040515 /nfs/dbraw/zinc/04/05/15/323040515.db2.gz ADICUQNPTLMPQV-UHFFFAOYSA-N 1 2 226.349 1.306 20 70 BDIDLO CCc1nnc(C[N@H+]2CCCSCC2)[nH]1 ZINC000159613052 323040516 /nfs/dbraw/zinc/04/05/16/323040516.db2.gz ADICUQNPTLMPQV-UHFFFAOYSA-N 1 2 226.349 1.306 20 70 BDIDLO CCOC(=O)C[NH2+]CC(CC)(CC)C(=O)OC ZINC000159649899 323041861 /nfs/dbraw/zinc/04/18/61/323041861.db2.gz OINRMTNUDYCELF-UHFFFAOYSA-N 1 2 245.319 1.119 20 70 BDIDLO COc1ccc[nH+]c1NC[C@H](O)C1CC1 ZINC000160233559 346357905 /nfs/dbraw/zinc/35/79/05/346357905.db2.gz PBURMXXHOCBFQV-VIFPVBQESA-N 1 2 208.261 1.273 20 70 BDIDLO CCc1noc(C[N@H+](C)CCOCC2CC2)n1 ZINC000160302872 355869090 /nfs/dbraw/zinc/86/90/90/355869090.db2.gz SGGSAIAVXPUNQJ-UHFFFAOYSA-N 1 2 239.319 1.490 20 70 BDIDLO CCc1noc(C[N@@H+](C)CCOCC2CC2)n1 ZINC000160302872 355869093 /nfs/dbraw/zinc/86/90/93/355869093.db2.gz SGGSAIAVXPUNQJ-UHFFFAOYSA-N 1 2 239.319 1.490 20 70 BDIDLO CCc1cc(NC(C)(C)[C@H](C)O)nc[nH+]1 ZINC000160572367 538885417 /nfs/dbraw/zinc/88/54/17/538885417.db2.gz XBLCKXLVLVEPFO-QMMMGPOBSA-N 1 2 209.293 1.610 20 70 BDIDLO COCC[C@@H](C)Nc1[nH+]cccc1OC ZINC000159467128 384225979 /nfs/dbraw/zinc/22/59/79/384225979.db2.gz JVDOJMSLMVKNJL-SECBINFHSA-N 1 2 210.277 1.927 20 70 BDIDLO C[C@H](C(=O)NC1CC1)[N@H+](C)Cc1cccnc1 ZINC000159388896 384328578 /nfs/dbraw/zinc/32/85/78/384328578.db2.gz AXFWRALREHSEPO-SNVBAGLBSA-N 1 2 233.315 1.181 20 70 BDIDLO C[C@H](C(=O)NC1CC1)[N@@H+](C)Cc1cccnc1 ZINC000159388896 384328583 /nfs/dbraw/zinc/32/85/83/384328583.db2.gz AXFWRALREHSEPO-SNVBAGLBSA-N 1 2 233.315 1.181 20 70 BDIDLO Cc1ccc(NC(=O)N[C@H]2CCOC2)c(C)[nH+]1 ZINC000159405059 388013710 /nfs/dbraw/zinc/01/37/10/388013710.db2.gz KHTQRVDTOZSYKQ-JTQLQIEISA-N 1 2 235.287 1.609 20 70 BDIDLO CCOC(=O)[C@@H]([NH2+]CCC(C)(C)O)[C@@H](C)CC ZINC000159618623 323040582 /nfs/dbraw/zinc/04/05/82/323040582.db2.gz NLPIRAAHDFDUOI-QWRGUYRKSA-N 1 2 245.363 1.715 20 70 BDIDLO O=C(/C=C\c1cccc(F)c1)NCc1[nH]cc[nH+]1 ZINC000216999152 323082688 /nfs/dbraw/zinc/08/26/88/323082688.db2.gz JGCPAAZVKBGWOD-PLNGDYQASA-N 1 2 245.257 1.878 20 70 BDIDLO C[C@@H]([NH2+]Cc1cnn(C)c1)c1cscn1 ZINC000161163102 323149625 /nfs/dbraw/zinc/14/96/25/323149625.db2.gz MLIKUKOUEHSKDJ-MRVPVSSYSA-N 1 2 222.317 1.727 20 70 BDIDLO C[C@@H]([NH2+]CCN1CCCC1)c1cscn1 ZINC000161141775 538914380 /nfs/dbraw/zinc/91/43/80/538914380.db2.gz HBZNDMVUMZGIAA-SNVBAGLBSA-N 1 2 225.361 1.890 20 70 BDIDLO C[C@H]([NH2+]Cc1ccnn1C)c1cscn1 ZINC000161154134 323149533 /nfs/dbraw/zinc/14/95/33/323149533.db2.gz IMBBJACAAGVCKL-QMMMGPOBSA-N 1 2 222.317 1.727 20 70 BDIDLO COc1ccc[nH+]c1NCC1(CO)CC1 ZINC000160256079 355761581 /nfs/dbraw/zinc/76/15/81/355761581.db2.gz FMHPBLXBKNCIHJ-UHFFFAOYSA-N 1 2 208.261 1.275 20 70 BDIDLO Cc1cc(N2CCC[C@@](C)(O)C2)nc[nH+]1 ZINC000160848877 361330766 /nfs/dbraw/zinc/33/07/66/361330766.db2.gz WMZOKBUHCGPJKZ-LLVKDONJSA-N 1 2 207.277 1.136 20 70 BDIDLO CCc1cc(N[C@]2(C)CCOC2)nc[nH+]1 ZINC000160077398 541496014 /nfs/dbraw/zinc/49/60/14/541496014.db2.gz KOFLNFGPMQMONN-LLVKDONJSA-N 1 2 207.277 1.630 20 70 BDIDLO CCc1cc(N[C@@]2(C)CCOC2)nc[nH+]1 ZINC000160077535 541496127 /nfs/dbraw/zinc/49/61/27/541496127.db2.gz KOFLNFGPMQMONN-NSHDSACASA-N 1 2 207.277 1.630 20 70 BDIDLO COC[C@@H](C)CNc1[nH+]cccc1OC ZINC000160224651 323064298 /nfs/dbraw/zinc/06/42/98/323064298.db2.gz MQEIHCTWFGFURZ-VIFPVBQESA-N 1 2 210.277 1.785 20 70 BDIDLO Cc1nc(N[C@@H]2CCCCC[C@@H]2C(N)=O)cc[nH+]1 ZINC000160736571 323104218 /nfs/dbraw/zinc/10/42/18/323104218.db2.gz UXJYUAOZFTZCJM-WDEREUQCSA-N 1 2 248.330 1.631 20 70 BDIDLO CC[C@@H](CCO)Nc1[nH+]cccc1OC ZINC000217995180 324060139 /nfs/dbraw/zinc/06/01/39/324060139.db2.gz WQQZZRVLWWOGKY-VIFPVBQESA-N 1 2 210.277 1.663 20 70 BDIDLO O=C(/C=C\c1ccco1)NCc1[nH]cc[nH+]1 ZINC000216999563 592091963 /nfs/dbraw/zinc/09/19/63/592091963.db2.gz BSAQXDXIOJQQSG-ARJAWSKDSA-N 1 2 217.228 1.332 20 70 BDIDLO C(c1noc(C2CC2)n1)[N@@H+]1CCCSCC1 ZINC000161486476 349463830 /nfs/dbraw/zinc/46/38/30/349463830.db2.gz XTSNPXMAAUXFGB-UHFFFAOYSA-N 1 2 239.344 1.886 20 70 BDIDLO C(c1noc(C2CC2)n1)[N@H+]1CCCSCC1 ZINC000161486476 349463831 /nfs/dbraw/zinc/46/38/31/349463831.db2.gz XTSNPXMAAUXFGB-UHFFFAOYSA-N 1 2 239.344 1.886 20 70 BDIDLO CCn1cc[nH+]c1CN1CCOC[C@@H]1C ZINC000160775040 349321469 /nfs/dbraw/zinc/32/14/69/349321469.db2.gz YUKZCDFDDKICGD-JTQLQIEISA-N 1 2 209.293 1.124 20 70 BDIDLO Cc1nn(C)cc1CNc1cccc[nH+]1 ZINC000160468577 180374719 /nfs/dbraw/zinc/37/47/19/180374719.db2.gz JQHJUWDJLQHAKY-UHFFFAOYSA-N 1 2 202.261 1.736 20 70 BDIDLO Cn1c(SCCn2cc[nH+]c2)nnc1C1CC1 ZINC000159567528 384342146 /nfs/dbraw/zinc/34/21/46/384342146.db2.gz WFHJOIADZKCYTQ-UHFFFAOYSA-N 1 2 249.343 1.681 20 70 BDIDLO C[C@@H](C(=O)NC1CC1)[N@H+](C)Cc1cccnc1 ZINC000159388767 384328855 /nfs/dbraw/zinc/32/88/55/384328855.db2.gz AXFWRALREHSEPO-JTQLQIEISA-N 1 2 233.315 1.181 20 70 BDIDLO C[C@@H](C(=O)NC1CC1)[N@@H+](C)Cc1cccnc1 ZINC000159388767 384328861 /nfs/dbraw/zinc/32/88/61/384328861.db2.gz AXFWRALREHSEPO-JTQLQIEISA-N 1 2 233.315 1.181 20 70 BDIDLO CCN(C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160310426 384400427 /nfs/dbraw/zinc/40/04/27/384400427.db2.gz OEGGNJYWAROVJJ-UHFFFAOYSA-N 1 2 248.330 1.275 20 70 BDIDLO CCc1cc(=O)[nH]c(C[NH+]2CCSCC2)n1 ZINC000160873389 384444377 /nfs/dbraw/zinc/44/43/77/384444377.db2.gz HDEIUZQEXZXRRC-UHFFFAOYSA-N 1 2 239.344 1.293 20 70 BDIDLO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1cscn1 ZINC000161179485 384883572 /nfs/dbraw/zinc/88/35/72/384883572.db2.gz WWNVUNVUBACTRX-JGVFFNPUSA-N 1 2 225.317 1.072 20 70 BDIDLO C[C@H]([NH2+][C@H]1CCCNC1=O)c1cscn1 ZINC000161179730 384884324 /nfs/dbraw/zinc/88/43/24/384884324.db2.gz WWNVUNVUBACTRX-YUMQZZPRSA-N 1 2 225.317 1.072 20 70 BDIDLO CC[C@H]1COCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160463769 387095568 /nfs/dbraw/zinc/09/55/68/387095568.db2.gz DHAQCRLKZYDGKZ-LBPRGKRZSA-N 1 2 245.326 1.945 20 70 BDIDLO CC[C@H]1COCC[N@H+]1Cc1cnc2ccccn12 ZINC000160463769 387095587 /nfs/dbraw/zinc/09/55/87/387095587.db2.gz DHAQCRLKZYDGKZ-LBPRGKRZSA-N 1 2 245.326 1.945 20 70 BDIDLO Cc1nc(CC[NH2+]Cc2ccn[nH]2)cs1 ZINC000218098557 388575961 /nfs/dbraw/zinc/57/59/61/388575961.db2.gz AONBXIRXSPUWMM-UHFFFAOYSA-N 1 2 222.317 1.507 20 70 BDIDLO O=C(/C=C\c1cccs1)NCc1[nH]cc[nH+]1 ZINC000217000106 592092195 /nfs/dbraw/zinc/09/21/95/592092195.db2.gz AFWKPJOEESGFSR-ARJAWSKDSA-N 1 2 233.296 1.801 20 70 BDIDLO CCc1nnc(C[N@@H+]2[C@H](C)CCC[C@@H]2CO)[nH]1 ZINC000159399053 345430635 /nfs/dbraw/zinc/43/06/35/345430635.db2.gz KEQRIAQONOCEJD-NXEZZACHSA-N 1 2 238.335 1.102 20 70 BDIDLO CCc1nnc(C[N@H+]2[C@H](C)CCC[C@@H]2CO)[nH]1 ZINC000159399053 345430637 /nfs/dbraw/zinc/43/06/37/345430637.db2.gz KEQRIAQONOCEJD-NXEZZACHSA-N 1 2 238.335 1.102 20 70 BDIDLO COc1ccc[nH+]c1NC[C@@H](O)C1CC1 ZINC000160233683 346358108 /nfs/dbraw/zinc/35/81/08/346358108.db2.gz PBURMXXHOCBFQV-SECBINFHSA-N 1 2 208.261 1.273 20 70 BDIDLO CCc1cnc(C[N@H+](C)CC(OC)OC)s1 ZINC000161385763 346486960 /nfs/dbraw/zinc/48/69/60/346486960.db2.gz FTAWQQOZSQKAPX-UHFFFAOYSA-N 1 2 244.360 1.756 20 70 BDIDLO CCc1cnc(C[N@@H+](C)CC(OC)OC)s1 ZINC000161385763 346486962 /nfs/dbraw/zinc/48/69/62/346486962.db2.gz FTAWQQOZSQKAPX-UHFFFAOYSA-N 1 2 244.360 1.756 20 70 BDIDLO Cn1cc[nH+]c1CN1CCOC(C)(C)C1 ZINC000160783640 323135350 /nfs/dbraw/zinc/13/53/50/323135350.db2.gz HYYYARMHRPRXQS-UHFFFAOYSA-N 1 2 209.293 1.031 20 70 BDIDLO CCN(Cc1cnn(C)c1)Cc1[nH+]ccn1C ZINC000161110904 385222120 /nfs/dbraw/zinc/22/21/20/385222120.db2.gz HVAWTACTWIZRQS-UHFFFAOYSA-N 1 2 233.319 1.176 20 70 BDIDLO O=C(/C=C\c1ccc(F)cc1)NCc1[nH]cc[nH+]1 ZINC000217000117 398088265 /nfs/dbraw/zinc/08/82/65/398088265.db2.gz MEWPMSOWPDOYOV-UTCJRWHESA-N 1 2 245.257 1.878 20 70 BDIDLO COCC(C)(C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000160155662 174063472 /nfs/dbraw/zinc/06/34/72/174063472.db2.gz OUJVNLYVOUJJOA-UHFFFAOYSA-N 1 2 239.319 1.051 20 70 BDIDLO C[C@@H]1COCC[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000159819542 176336975 /nfs/dbraw/zinc/33/69/75/176336975.db2.gz VYTCEOIVYBMULQ-SECBINFHSA-N 1 2 225.263 1.752 20 70 BDIDLO C[C@@H]1COCC[N@H+]1Cc1cc(O)cc(F)c1 ZINC000159819542 176336977 /nfs/dbraw/zinc/33/69/77/176336977.db2.gz VYTCEOIVYBMULQ-SECBINFHSA-N 1 2 225.263 1.752 20 70 BDIDLO Cc1nc(N[C@H]2CCCCC[C@@H]2C(N)=O)cc[nH+]1 ZINC000160736709 323104249 /nfs/dbraw/zinc/10/42/49/323104249.db2.gz UXJYUAOZFTZCJM-QWRGUYRKSA-N 1 2 248.330 1.631 20 70 BDIDLO CC(C)c1noc([C@@H](C)[N@@H+](C)C[C@@H](C)O)n1 ZINC000159530785 345441443 /nfs/dbraw/zinc/44/14/43/345441443.db2.gz ZLQFKNNUQLNWBJ-RKDXNWHRSA-N 1 2 227.308 1.567 20 70 BDIDLO CC(C)c1noc([C@@H](C)[N@H+](C)C[C@@H](C)O)n1 ZINC000159530785 345441445 /nfs/dbraw/zinc/44/14/45/345441445.db2.gz ZLQFKNNUQLNWBJ-RKDXNWHRSA-N 1 2 227.308 1.567 20 70 BDIDLO CCc1nnc(C[N@H+](C)[C@@H]2CCSC2)[nH]1 ZINC000159547384 345442141 /nfs/dbraw/zinc/44/21/41/345442141.db2.gz KTTPRXPGRBZAQV-MRVPVSSYSA-N 1 2 226.349 1.304 20 70 BDIDLO CCc1nnc(C[N@@H+](C)[C@@H]2CCSC2)[nH]1 ZINC000159547384 345442143 /nfs/dbraw/zinc/44/21/43/345442143.db2.gz KTTPRXPGRBZAQV-MRVPVSSYSA-N 1 2 226.349 1.304 20 70 BDIDLO CCOC(=O)CN(C)Cc1[nH+]ccn1C(C)C ZINC000160859564 358969816 /nfs/dbraw/zinc/96/98/16/358969816.db2.gz HGBPPKNFPNRRTD-UHFFFAOYSA-N 1 2 239.319 1.459 20 70 BDIDLO CCOC(=O)C[N@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000160825437 358952459 /nfs/dbraw/zinc/95/24/59/358952459.db2.gz OEHJHGYDWMXWFK-JTQLQIEISA-N 1 2 229.320 1.439 20 70 BDIDLO CCOC(=O)C[N@@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000160825437 358952465 /nfs/dbraw/zinc/95/24/65/358952465.db2.gz OEHJHGYDWMXWFK-JTQLQIEISA-N 1 2 229.320 1.439 20 70 BDIDLO CCc1nnc(C[N@H+](C)CCc2ccncc2)[nH]1 ZINC000160217276 384660219 /nfs/dbraw/zinc/66/02/19/384660219.db2.gz AUGTWRRVPIOVPF-UHFFFAOYSA-N 1 2 245.330 1.437 20 70 BDIDLO CCc1nnc(C[N@@H+](C)CCc2ccncc2)[nH]1 ZINC000160217276 384660224 /nfs/dbraw/zinc/66/02/24/384660224.db2.gz AUGTWRRVPIOVPF-UHFFFAOYSA-N 1 2 245.330 1.437 20 70 BDIDLO O=C(/C=C\c1ccccc1)NCc1[nH]cc[nH+]1 ZINC000216999406 384702773 /nfs/dbraw/zinc/70/27/73/384702773.db2.gz HRCQGFDSBZJYFG-SREVYHEPSA-N 1 2 227.267 1.739 20 70 BDIDLO Cc1cccc(C(=O)NCCn2cc[nH+]c2)c1F ZINC000161414862 385018586 /nfs/dbraw/zinc/01/85/86/385018586.db2.gz GOBHDAPGGQDASF-UHFFFAOYSA-N 1 2 247.273 1.761 20 70 BDIDLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(C)on1 ZINC000161093611 385188570 /nfs/dbraw/zinc/18/85/70/385188570.db2.gz WHVLWJHVZYHURH-UHFFFAOYSA-N 1 2 234.303 1.739 20 70 BDIDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(C)on1 ZINC000161093611 385188571 /nfs/dbraw/zinc/18/85/71/385188571.db2.gz WHVLWJHVZYHURH-UHFFFAOYSA-N 1 2 234.303 1.739 20 70 BDIDLO CCC(=O)c1cccc(NC(=O)C[NH+](C)C)c1 ZINC000160723382 168258831 /nfs/dbraw/zinc/25/88/31/168258831.db2.gz XJNLARNTZJETKR-UHFFFAOYSA-N 1 2 234.299 1.779 20 70 BDIDLO COc1ccc[nH+]c1NCC(=O)NC(C)C ZINC000160210177 323063852 /nfs/dbraw/zinc/06/38/52/323063852.db2.gz MIRDBCFDHFXEOQ-UHFFFAOYSA-N 1 2 223.276 1.027 20 70 BDIDLO C[C@@H]1COC[C@@H](C)[NH+]1Cc1cnc2ccccn12 ZINC000160572251 323072762 /nfs/dbraw/zinc/07/27/62/323072762.db2.gz HTGNXJXTXKXGEW-VXGBXAGGSA-N 1 2 245.326 1.944 20 70 BDIDLO Cc1nc(N[C@@H]2CCCCC[C@H]2C(N)=O)cc[nH+]1 ZINC000160736818 323104222 /nfs/dbraw/zinc/10/42/22/323104222.db2.gz UXJYUAOZFTZCJM-GHMZBOCLSA-N 1 2 248.330 1.631 20 70 BDIDLO CCc1nnc(C[N@H+]2[C@@H](CO)CCC[C@@H]2C)[nH]1 ZINC000159399190 345430551 /nfs/dbraw/zinc/43/05/51/345430551.db2.gz KEQRIAQONOCEJD-VHSXEESVSA-N 1 2 238.335 1.102 20 70 BDIDLO CCc1nnc(C[N@@H+]2[C@@H](CO)CCC[C@@H]2C)[nH]1 ZINC000159399190 345430553 /nfs/dbraw/zinc/43/05/53/345430553.db2.gz KEQRIAQONOCEJD-VHSXEESVSA-N 1 2 238.335 1.102 20 70 BDIDLO Cn1cnnc1CSc1[nH+]cc2ccccn21 ZINC000160989884 345520531 /nfs/dbraw/zinc/52/05/31/345520531.db2.gz MIHNWGICQYXXNT-UHFFFAOYSA-N 1 2 245.311 1.755 20 70 BDIDLO Cc1nnc2n1CC[N@@H+](CC(C)(C)C)C2 ZINC000218662000 345744938 /nfs/dbraw/zinc/74/49/38/345744938.db2.gz MLVQYHZBWFBZCT-UHFFFAOYSA-N 1 2 208.309 1.448 20 70 BDIDLO Cc1nnc2n1CC[N@H+](CC(C)(C)C)C2 ZINC000218662000 345744940 /nfs/dbraw/zinc/74/49/40/345744940.db2.gz MLVQYHZBWFBZCT-UHFFFAOYSA-N 1 2 208.309 1.448 20 70 BDIDLO O[C@@H]1CCC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000161267412 183193482 /nfs/dbraw/zinc/19/34/82/183193482.db2.gz SPKKKKPVLSNIBX-LLVKDONJSA-N 1 2 238.356 1.977 20 70 BDIDLO O[C@@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000161267412 183193484 /nfs/dbraw/zinc/19/34/84/183193484.db2.gz SPKKKKPVLSNIBX-LLVKDONJSA-N 1 2 238.356 1.977 20 70 BDIDLO Cc1cc(C)c(C[N@@H+]2CCNC(=O)C2)cc1C ZINC000160482940 384415749 /nfs/dbraw/zinc/41/57/49/384415749.db2.gz AOFZUDNRIMZHDS-UHFFFAOYSA-N 1 2 232.327 1.544 20 70 BDIDLO Cc1cc(C)c(C[N@H+]2CCNC(=O)C2)cc1C ZINC000160482940 384415752 /nfs/dbraw/zinc/41/57/52/384415752.db2.gz AOFZUDNRIMZHDS-UHFFFAOYSA-N 1 2 232.327 1.544 20 70 BDIDLO CCOCCSCCn1cc[nH+]c1 ZINC000160158380 384647004 /nfs/dbraw/zinc/64/70/04/384647004.db2.gz XKDFNYQHWIMXMT-UHFFFAOYSA-N 1 2 200.307 1.653 20 70 BDIDLO O=C(CC1(O)CCCC1)Nc1cc[nH+]cc1O ZINC000161502487 385974939 /nfs/dbraw/zinc/97/49/39/385974939.db2.gz SWBMGEXBZAOBCB-UHFFFAOYSA-N 1 2 236.271 1.421 20 70 BDIDLO CCCn1c(C)nnc1C[N@H+](C)CCSC ZINC000161377275 387196887 /nfs/dbraw/zinc/19/68/87/387196887.db2.gz MGLIQIWYMFYJPA-UHFFFAOYSA-N 1 2 242.392 1.791 20 70 BDIDLO CCCn1c(C)nnc1C[N@@H+](C)CCSC ZINC000161377275 387196891 /nfs/dbraw/zinc/19/68/91/387196891.db2.gz MGLIQIWYMFYJPA-UHFFFAOYSA-N 1 2 242.392 1.791 20 70 BDIDLO CC(C)S(=O)(=O)CCCn1cc[nH+]c1 ZINC000160612493 167318436 /nfs/dbraw/zinc/31/84/36/167318436.db2.gz MJFTVHSPODRDKP-UHFFFAOYSA-N 1 2 216.306 1.096 20 70 BDIDLO CC[C@@](C)(O)CNc1[nH+]cccc1OC ZINC000159597526 323039928 /nfs/dbraw/zinc/03/99/28/323039928.db2.gz SLIMFVNAEQFNJG-LLVKDONJSA-N 1 2 210.277 1.663 20 70 BDIDLO CN(Cc1[nH+]ccn1C)C(=O)C1=CCCC1 ZINC000159814752 323049134 /nfs/dbraw/zinc/04/91/34/323049134.db2.gz XVZIQJYSUVDPMJ-UHFFFAOYSA-N 1 2 219.288 1.489 20 70 BDIDLO CCCc1noc(C[N@@H+]2CCCSCC2)n1 ZINC000161479689 349451326 /nfs/dbraw/zinc/45/13/26/349451326.db2.gz ODHVJCUALOCYLB-UHFFFAOYSA-N 1 2 241.360 1.961 20 70 BDIDLO CCCc1noc(C[N@H+]2CCCSCC2)n1 ZINC000161479689 349451327 /nfs/dbraw/zinc/45/13/27/349451327.db2.gz ODHVJCUALOCYLB-UHFFFAOYSA-N 1 2 241.360 1.961 20 70 BDIDLO Cc1cc(NCCCC(=O)OC(C)C)nc[nH+]1 ZINC000160249452 178158557 /nfs/dbraw/zinc/15/85/57/178158557.db2.gz WJTGCAASLIQMRJ-UHFFFAOYSA-N 1 2 237.303 1.929 20 70 BDIDLO CCc1nc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)no1 ZINC000159835311 345558612 /nfs/dbraw/zinc/55/86/12/345558612.db2.gz BUCYMKZZMAPWLG-UWVGGRQHSA-N 1 2 239.319 1.225 20 70 BDIDLO CCc1nc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)no1 ZINC000159835311 345558614 /nfs/dbraw/zinc/55/86/14/345558614.db2.gz BUCYMKZZMAPWLG-UWVGGRQHSA-N 1 2 239.319 1.225 20 70 BDIDLO COc1ccc[nH+]c1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000160254111 355761544 /nfs/dbraw/zinc/76/15/44/355761544.db2.gz JNHIZEBFQBZAIQ-BBBLOLIVSA-N 1 2 220.272 1.822 20 70 BDIDLO CCCNC(=O)C[NH2+][C@H](C)c1cscn1 ZINC000161141531 169229702 /nfs/dbraw/zinc/22/97/02/169229702.db2.gz BZJZZQRUQXEQGE-MRVPVSSYSA-N 1 2 227.333 1.320 20 70 BDIDLO Cc1ccc(NC(=O)N[C@@H]2CCOC2)c(C)[nH+]1 ZINC000159404900 388013508 /nfs/dbraw/zinc/01/35/08/388013508.db2.gz KHTQRVDTOZSYKQ-SNVBAGLBSA-N 1 2 235.287 1.609 20 70 BDIDLO CNC(=O)C(C)(C)CNc1cccc[nH+]1 ZINC000161074267 173220713 /nfs/dbraw/zinc/22/07/13/173220713.db2.gz IUXQKAJQGBDCLD-UHFFFAOYSA-N 1 2 207.277 1.266 20 70 BDIDLO CCOC(=O)[C@H]([NH2+]CCC(C)(C)O)[C@@H](C)CC ZINC000159618814 323040589 /nfs/dbraw/zinc/04/05/89/323040589.db2.gz NLPIRAAHDFDUOI-WDEREUQCSA-N 1 2 245.363 1.715 20 70 BDIDLO CCc1noc(C[N@@H+]2CCCSCC2)n1 ZINC000161485071 538915810 /nfs/dbraw/zinc/91/58/10/538915810.db2.gz HYSULCSXBKSKJA-UHFFFAOYSA-N 1 2 227.333 1.571 20 70 BDIDLO CCc1noc(C[N@H+]2CCCSCC2)n1 ZINC000161485071 538915811 /nfs/dbraw/zinc/91/58/11/538915811.db2.gz HYSULCSXBKSKJA-UHFFFAOYSA-N 1 2 227.333 1.571 20 70 BDIDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC000160370039 347798807 /nfs/dbraw/zinc/79/88/07/347798807.db2.gz SKIQDRDWCGODBR-LLVKDONJSA-N 1 2 240.253 1.415 20 70 BDIDLO NC(=O)[C@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC000160370039 347798810 /nfs/dbraw/zinc/79/88/10/347798810.db2.gz SKIQDRDWCGODBR-LLVKDONJSA-N 1 2 240.253 1.415 20 70 BDIDLO CC[N@@H+](CC(=O)OC)C[C@H]1CCC(C)(C)O1 ZINC000160825298 361329817 /nfs/dbraw/zinc/32/98/17/361329817.db2.gz MKULMLUAJIMNGM-SNVBAGLBSA-N 1 2 229.320 1.439 20 70 BDIDLO CC[N@H+](CC(=O)OC)C[C@H]1CCC(C)(C)O1 ZINC000160825298 361329820 /nfs/dbraw/zinc/32/98/20/361329820.db2.gz MKULMLUAJIMNGM-SNVBAGLBSA-N 1 2 229.320 1.439 20 70 BDIDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@@H](C)O ZINC000159385009 384326628 /nfs/dbraw/zinc/32/66/28/384326628.db2.gz LNICVAIYJPZPIY-PWSUYJOCSA-N 1 2 237.299 1.213 20 70 BDIDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@@H](C)O ZINC000159385009 384326632 /nfs/dbraw/zinc/32/66/32/384326632.db2.gz LNICVAIYJPZPIY-PWSUYJOCSA-N 1 2 237.299 1.213 20 70 BDIDLO C[C@H]1OCC[C@@H]1SCCn1cc[nH+]c1 ZINC000160332357 384403383 /nfs/dbraw/zinc/40/33/83/384403383.db2.gz NYKSXYMIMIXDAY-ZJUUUORDSA-N 1 2 212.318 1.794 20 70 BDIDLO CCNC(=O)C(C)(C)CNc1cc(C)[nH+]cn1 ZINC000161351031 170043048 /nfs/dbraw/zinc/04/30/48/170043048.db2.gz ZDRFNUCPMKHGIN-UHFFFAOYSA-N 1 2 236.319 1.359 20 70 BDIDLO CNC(=O)C(C)(C)CNc1cc[nH+]c(C2CC2)n1 ZINC000161099267 173221591 /nfs/dbraw/zinc/22/15/91/173221591.db2.gz RLGDMFBSWSBCTP-UHFFFAOYSA-N 1 2 248.330 1.538 20 70 BDIDLO COc1ccc[nH+]c1NC1CCOCC1 ZINC000159469460 322969957 /nfs/dbraw/zinc/96/99/57/322969957.db2.gz IMICJOPQDSICCA-UHFFFAOYSA-N 1 2 208.261 1.681 20 70 BDIDLO CCOC(=O)[C@@H]([NH2+]CCC(C)(C)O)[C@H](C)CC ZINC000159618520 323040606 /nfs/dbraw/zinc/04/06/06/323040606.db2.gz NLPIRAAHDFDUOI-MNOVXSKESA-N 1 2 245.363 1.715 20 70 BDIDLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)c1ccsc1 ZINC000159865339 323051008 /nfs/dbraw/zinc/05/10/08/323051008.db2.gz XANAJXLVIJUJHM-QMMMGPOBSA-N 1 2 235.312 1.891 20 70 BDIDLO CN(Cc1c[nH+]c2ccccn12)c1cnn(C)c1 ZINC000160576715 323072791 /nfs/dbraw/zinc/07/27/91/323072791.db2.gz LAEJYHMSMBGKAS-UHFFFAOYSA-N 1 2 241.298 1.704 20 70 BDIDLO C/C=C/C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000218094842 592151320 /nfs/dbraw/zinc/15/13/20/592151320.db2.gz PYLPNKBEVGWYIB-XGQHYKRYSA-N 1 2 231.299 1.353 20 70 BDIDLO CCn1cnnc1C[NH2+]Cc1ccoc1 ZINC000218110758 592152323 /nfs/dbraw/zinc/15/23/23/592152323.db2.gz RZMIJONFPBXCOL-UHFFFAOYSA-N 1 2 206.249 1.181 20 70 BDIDLO Cc1nc(C[N@@H+]2CCCSCC2)no1 ZINC000161477386 349458694 /nfs/dbraw/zinc/45/86/94/349458694.db2.gz YFVOTBUYYTYOLI-UHFFFAOYSA-N 1 2 213.306 1.317 20 70 BDIDLO Cc1nc(C[N@H+]2CCCSCC2)no1 ZINC000161477386 349458696 /nfs/dbraw/zinc/45/86/96/349458696.db2.gz YFVOTBUYYTYOLI-UHFFFAOYSA-N 1 2 213.306 1.317 20 70 BDIDLO Cc1noc(C[N@@H+]2CCCSCC2)n1 ZINC000161488023 349463985 /nfs/dbraw/zinc/46/39/85/349463985.db2.gz NMCOMBLBRGRLLF-UHFFFAOYSA-N 1 2 213.306 1.317 20 70 BDIDLO Cc1noc(C[N@H+]2CCCSCC2)n1 ZINC000161488023 349463988 /nfs/dbraw/zinc/46/39/88/349463988.db2.gz NMCOMBLBRGRLLF-UHFFFAOYSA-N 1 2 213.306 1.317 20 70 BDIDLO C[C@](CO)([NH2+]CC(F)F)c1ccccc1 ZINC000161183591 363344046 /nfs/dbraw/zinc/34/40/46/363344046.db2.gz MSNBIDOREIIMNS-LLVKDONJSA-N 1 2 215.243 1.749 20 70 BDIDLO C[C@H](C(=O)NCc1[nH]cc[nH+]1)c1cccs1 ZINC000159864323 384367011 /nfs/dbraw/zinc/36/70/11/384367011.db2.gz UZEZZQVAUJNBBH-QMMMGPOBSA-N 1 2 235.312 1.891 20 70 BDIDLO CN(CCn1cc[nH+]c1)Cc1cscn1 ZINC000161459397 384489300 /nfs/dbraw/zinc/48/93/00/384489300.db2.gz QUPYWBIXCNJGRG-UHFFFAOYSA-N 1 2 222.317 1.472 20 70 BDIDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cscn1 ZINC000161156246 384852029 /nfs/dbraw/zinc/85/20/29/384852029.db2.gz PCIKTODYXWFGKT-SFYZADRCSA-N 1 2 227.333 1.270 20 70 BDIDLO COCC[N@H+](C)Cc1nccn1C(C)C ZINC000160825500 388093000 /nfs/dbraw/zinc/09/30/00/388093000.db2.gz NHBHLNNGUMEHEJ-UHFFFAOYSA-N 1 2 211.309 1.542 20 70 BDIDLO COCC[N@@H+](C)Cc1nccn1C(C)C ZINC000160825500 388093003 /nfs/dbraw/zinc/09/30/03/388093003.db2.gz NHBHLNNGUMEHEJ-UHFFFAOYSA-N 1 2 211.309 1.542 20 70 BDIDLO CCNC(=O)C(C)(C)CNc1cc[nH+]c(C)n1 ZINC000161329657 170042990 /nfs/dbraw/zinc/04/29/90/170042990.db2.gz KFDUSBGJXZWODN-UHFFFAOYSA-N 1 2 236.319 1.359 20 70 BDIDLO CCc1ncnc(NCCn2cc[nH+]c2)c1F ZINC000217958029 172031662 /nfs/dbraw/zinc/03/16/62/172031662.db2.gz BCGACLJWDIPGSG-UHFFFAOYSA-N 1 2 235.266 1.487 20 70 BDIDLO CC[C@]1(C)C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000159790435 323047831 /nfs/dbraw/zinc/04/78/31/323047831.db2.gz FDWYSNZLPYXMQA-ZYHUDNBSSA-N 1 2 221.304 1.436 20 70 BDIDLO CC[N@H+](Cc1nncn1C)Cc1cccc(F)c1 ZINC000160705770 323103613 /nfs/dbraw/zinc/10/36/13/323103613.db2.gz IECRMWXODKTFPY-UHFFFAOYSA-N 1 2 248.305 1.976 20 70 BDIDLO CC[N@@H+](Cc1nncn1C)Cc1cccc(F)c1 ZINC000160705770 323103614 /nfs/dbraw/zinc/10/36/14/323103614.db2.gz IECRMWXODKTFPY-UHFFFAOYSA-N 1 2 248.305 1.976 20 70 BDIDLO C/C=C/C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000218094920 592151375 /nfs/dbraw/zinc/15/13/75/592151375.db2.gz PYLPNKBEVGWYIB-DGXRNCNBSA-N 1 2 231.299 1.353 20 70 BDIDLO CC1=C(C(=O)N(C)Cc2[nH+]ccn2C)CCCO1 ZINC000160016386 188335209 /nfs/dbraw/zinc/33/52/09/188335209.db2.gz CKPPNGPNQMTBGD-UHFFFAOYSA-N 1 2 249.314 1.463 20 70 BDIDLO CC(C)CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159573955 538878321 /nfs/dbraw/zinc/87/83/21/538878321.db2.gz VETFMNJBIOOSQY-LBPRGKRZSA-N 1 2 249.358 1.950 20 70 BDIDLO CCn1cc[nH+]c1CN1C[C@@H](C)OC[C@@H]1C ZINC000160767652 358444942 /nfs/dbraw/zinc/44/49/42/358444942.db2.gz GZULAFXKKGNMKF-WDEREUQCSA-N 1 2 223.320 1.512 20 70 BDIDLO COc1ccc[nH+]c1NCc1ccnn1C ZINC000159445722 384189934 /nfs/dbraw/zinc/18/99/34/384189934.db2.gz JVVBMSYNDDPRIQ-UHFFFAOYSA-N 1 2 218.260 1.436 20 70 BDIDLO C[C@H]1OCC[C@H]1SCCn1cc[nH+]c1 ZINC000160332113 384402350 /nfs/dbraw/zinc/40/23/50/384402350.db2.gz NYKSXYMIMIXDAY-NXEZZACHSA-N 1 2 212.318 1.794 20 70 BDIDLO CC(C)n1cc[nH+]c1CN1CCOC[C@@H]1C ZINC000160775450 384435040 /nfs/dbraw/zinc/43/50/40/384435040.db2.gz XBIOGSLPBRGBKN-NSHDSACASA-N 1 2 223.320 1.685 20 70 BDIDLO CCOC(=O)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000160279772 385044073 /nfs/dbraw/zinc/04/40/73/385044073.db2.gz ZZWAPFHMVKQMLB-CYBMUJFWSA-N 1 2 248.326 1.736 20 70 BDIDLO CCOC(=O)C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000160279772 385044080 /nfs/dbraw/zinc/04/40/80/385044080.db2.gz ZZWAPFHMVKQMLB-CYBMUJFWSA-N 1 2 248.326 1.736 20 70 BDIDLO COCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000159969453 134796168 /nfs/dbraw/zinc/79/61/68/134796168.db2.gz XMAONZLYRDLLHD-UHFFFAOYSA-N 1 2 212.199 1.961 20 70 BDIDLO C[C@H]1C[N@H+](Cc2cc(O)cc(F)c2)CCO1 ZINC000159814347 177260982 /nfs/dbraw/zinc/26/09/82/177260982.db2.gz MNMFVGJDZXFVMU-VIFPVBQESA-N 1 2 225.263 1.752 20 70 BDIDLO C[C@H]1C[N@@H+](Cc2cc(O)cc(F)c2)CCO1 ZINC000159814347 177260984 /nfs/dbraw/zinc/26/09/84/177260984.db2.gz MNMFVGJDZXFVMU-VIFPVBQESA-N 1 2 225.263 1.752 20 70 BDIDLO COc1ccc[nH+]c1NCc1cc[nH]n1 ZINC000159446752 322969210 /nfs/dbraw/zinc/96/92/10/322969210.db2.gz PRLMHYBSRHUBQK-UHFFFAOYSA-N 1 2 204.233 1.425 20 70 BDIDLO CCc1nnc(C[N@H+](C)[C@H]2CCSC2)[nH]1 ZINC000159547520 345442245 /nfs/dbraw/zinc/44/22/45/345442245.db2.gz KTTPRXPGRBZAQV-QMMMGPOBSA-N 1 2 226.349 1.304 20 70 BDIDLO CCc1nnc(C[N@@H+](C)[C@H]2CCSC2)[nH]1 ZINC000159547520 345442248 /nfs/dbraw/zinc/44/22/48/345442248.db2.gz KTTPRXPGRBZAQV-QMMMGPOBSA-N 1 2 226.349 1.304 20 70 BDIDLO COc1ccc[nH+]c1NC[C@@H](C)CCO ZINC000160247878 346358667 /nfs/dbraw/zinc/35/86/67/346358667.db2.gz KMXMFYBNIQBZEX-VIFPVBQESA-N 1 2 210.277 1.521 20 70 BDIDLO O[C@H]1CCC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000161267279 183235987 /nfs/dbraw/zinc/23/59/87/183235987.db2.gz SPKKKKPVLSNIBX-NSHDSACASA-N 1 2 238.356 1.977 20 70 BDIDLO O[C@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000161267279 183235989 /nfs/dbraw/zinc/23/59/89/183235989.db2.gz SPKKKKPVLSNIBX-NSHDSACASA-N 1 2 238.356 1.977 20 70 BDIDLO COc1ccc[nH+]c1NC[C@@H]1CCCOC1 ZINC000159454968 384201158 /nfs/dbraw/zinc/20/11/58/384201158.db2.gz ZMPONBUNMNXVTG-JTQLQIEISA-N 1 2 222.288 1.929 20 70 BDIDLO Cc1cc(CN(C)CCn2cc[nH+]c2)no1 ZINC000159742980 384352143 /nfs/dbraw/zinc/35/21/43/384352143.db2.gz QASHRCXBPDUANH-UHFFFAOYSA-N 1 2 220.276 1.312 20 70 BDIDLO Cc1c[nH+]ccc1NC(=O)[C@H]1OCC[C@H]1C ZINC000160122009 386504137 /nfs/dbraw/zinc/50/41/37/386504137.db2.gz ONXNBODGKBJSFJ-KCJUWKMLSA-N 1 2 220.272 1.754 20 70 BDIDLO Cc1cc(N[C@H](CO)CC(C)(C)C)nc[nH+]1 ZINC000161441413 178187528 /nfs/dbraw/zinc/18/75/28/178187528.db2.gz DGFNOKBMFKDQLT-JTQLQIEISA-N 1 2 223.320 1.994 20 70 BDIDLO CC(C)c1noc([C@H](C)[N@@H+](C)C[C@@H](C)O)n1 ZINC000159530915 345441376 /nfs/dbraw/zinc/44/13/76/345441376.db2.gz ZLQFKNNUQLNWBJ-BDAKNGLRSA-N 1 2 227.308 1.567 20 70 BDIDLO CC(C)c1noc([C@H](C)[N@H+](C)C[C@@H](C)O)n1 ZINC000159530915 345441377 /nfs/dbraw/zinc/44/13/77/345441377.db2.gz ZLQFKNNUQLNWBJ-BDAKNGLRSA-N 1 2 227.308 1.567 20 70 BDIDLO CCOC(=O)CCC[N@H+](C)Cc1cc(C)on1 ZINC000160967100 323140884 /nfs/dbraw/zinc/14/08/84/323140884.db2.gz NNIARUSMKWSAGX-UHFFFAOYSA-N 1 2 240.303 1.758 20 70 BDIDLO CCOC(=O)CCC[N@@H+](C)Cc1cc(C)on1 ZINC000160967100 323140885 /nfs/dbraw/zinc/14/08/85/323140885.db2.gz NNIARUSMKWSAGX-UHFFFAOYSA-N 1 2 240.303 1.758 20 70 BDIDLO COc1ccc(C(=O)Nc2cc[nH+]cc2C)nn1 ZINC000159388424 350093667 /nfs/dbraw/zinc/09/36/67/350093667.db2.gz CKAVYZVSEHXEJY-UHFFFAOYSA-N 1 2 244.254 1.441 20 70 BDIDLO CCc1nnc(C[NH2+][C@@H](C)c2ccncc2)[nH]1 ZINC000160265653 361303005 /nfs/dbraw/zinc/30/30/05/361303005.db2.gz MRRPGFXZAZEERO-VIFPVBQESA-N 1 2 231.303 1.613 20 70 BDIDLO COc1ccc[nH+]c1NCc1c[nH]nc1C ZINC000159445565 384191764 /nfs/dbraw/zinc/19/17/64/384191764.db2.gz BWNLUPYSFKLDSL-UHFFFAOYSA-N 1 2 218.260 1.734 20 70 BDIDLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)c1cccs1 ZINC000159864476 384366559 /nfs/dbraw/zinc/36/65/59/384366559.db2.gz UZEZZQVAUJNBBH-MRVPVSSYSA-N 1 2 235.312 1.891 20 70 BDIDLO O=C1C[N@H+](Cc2cccc3[nH]ccc32)CCN1 ZINC000160513556 384418286 /nfs/dbraw/zinc/41/82/86/384418286.db2.gz QCTVJQJQFFQZHM-UHFFFAOYSA-N 1 2 229.283 1.100 20 70 BDIDLO O=C1C[N@@H+](Cc2cccc3[nH]ccc32)CCN1 ZINC000160513556 384418295 /nfs/dbraw/zinc/41/82/95/384418295.db2.gz QCTVJQJQFFQZHM-UHFFFAOYSA-N 1 2 229.283 1.100 20 70 BDIDLO CC(C)n1cc[nH+]c1CN1CCOC[C@H]1C ZINC000160775314 384432890 /nfs/dbraw/zinc/43/28/90/384432890.db2.gz XBIOGSLPBRGBKN-LLVKDONJSA-N 1 2 223.320 1.685 20 70 BDIDLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)N(C)C ZINC000161156133 384851731 /nfs/dbraw/zinc/85/17/31/384851731.db2.gz PCIKTODYXWFGKT-YUMQZZPRSA-N 1 2 227.333 1.270 20 70 BDIDLO CC(C)OCC(=O)Nc1ccc(N)[nH+]c1 ZINC000161103295 167191747 /nfs/dbraw/zinc/19/17/47/167191747.db2.gz SWRWOVJGXDKMND-UHFFFAOYSA-N 1 2 209.249 1.027 20 70 BDIDLO CCc1nnc(C[N@@H+]2CCCSCC2)o1 ZINC000161482363 172050726 /nfs/dbraw/zinc/05/07/26/172050726.db2.gz YAPGWYYXISLOSZ-UHFFFAOYSA-N 1 2 227.333 1.571 20 70 BDIDLO CCc1nnc(C[N@H+]2CCCSCC2)o1 ZINC000161482363 172050727 /nfs/dbraw/zinc/05/07/27/172050727.db2.gz YAPGWYYXISLOSZ-UHFFFAOYSA-N 1 2 227.333 1.571 20 70 BDIDLO C[C@@H](C(=O)NCc1[nH]cc[nH+]1)c1ccsc1 ZINC000159865478 323050906 /nfs/dbraw/zinc/05/09/06/323050906.db2.gz XANAJXLVIJUJHM-MRVPVSSYSA-N 1 2 235.312 1.891 20 70 BDIDLO CCC(CC)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161433411 349446970 /nfs/dbraw/zinc/44/69/70/349446970.db2.gz QJVUHJIIJARLDK-GFCCVEGCSA-N 1 2 249.358 1.998 20 70 BDIDLO CN(Cc1[nH+]ccn1C)OCc1ccccc1 ZINC000159617895 384344544 /nfs/dbraw/zinc/34/45/44/384344544.db2.gz FDZDWFPZEIHITG-UHFFFAOYSA-N 1 2 231.299 1.984 20 70 BDIDLO COc1ccc(C[N@H+](C)Cc2nncn2C)cc1 ZINC000160682640 388083845 /nfs/dbraw/zinc/08/38/45/388083845.db2.gz RWOWJGSNJRWCDU-UHFFFAOYSA-N 1 2 246.314 1.456 20 70 BDIDLO COc1ccc(C[N@@H+](C)Cc2nncn2C)cc1 ZINC000160682640 388083846 /nfs/dbraw/zinc/08/38/46/388083846.db2.gz RWOWJGSNJRWCDU-UHFFFAOYSA-N 1 2 246.314 1.456 20 70 BDIDLO CC(C)NC(=O)C[NH2+][C@H](C)c1cscn1 ZINC000161145021 167060110 /nfs/dbraw/zinc/06/01/10/167060110.db2.gz HYXXTIOXKNUYOX-MRVPVSSYSA-N 1 2 227.333 1.318 20 70 BDIDLO CC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159498143 170003270 /nfs/dbraw/zinc/00/32/70/170003270.db2.gz VBRKXKNVVHWJFJ-MNOVXSKESA-N 1 2 225.288 1.424 20 70 BDIDLO CC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159498143 170003271 /nfs/dbraw/zinc/00/32/71/170003271.db2.gz VBRKXKNVVHWJFJ-MNOVXSKESA-N 1 2 225.288 1.424 20 70 BDIDLO C[C@@H]1C[N@H+](Cc2cc(O)cc(F)c2)CCO1 ZINC000159814189 176301817 /nfs/dbraw/zinc/30/18/17/176301817.db2.gz MNMFVGJDZXFVMU-SECBINFHSA-N 1 2 225.263 1.752 20 70 BDIDLO C[C@@H]1C[N@@H+](Cc2cc(O)cc(F)c2)CCO1 ZINC000159814189 176301818 /nfs/dbraw/zinc/30/18/18/176301818.db2.gz MNMFVGJDZXFVMU-SECBINFHSA-N 1 2 225.263 1.752 20 70 BDIDLO COc1ccc[nH+]c1NCc1ccn(C)n1 ZINC000159445870 322969082 /nfs/dbraw/zinc/96/90/82/322969082.db2.gz IEBAMWZQWCRKGH-UHFFFAOYSA-N 1 2 218.260 1.436 20 70 BDIDLO Cc1nc(N[C@H]2CCCCC[C@H]2C(N)=O)cc[nH+]1 ZINC000160736896 323104213 /nfs/dbraw/zinc/10/42/13/323104213.db2.gz UXJYUAOZFTZCJM-MNOVXSKESA-N 1 2 248.330 1.631 20 70 BDIDLO Cn1cnnc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000160803146 323136121 /nfs/dbraw/zinc/13/61/21/323136121.db2.gz GAIVSQMQCMWZHL-LLVKDONJSA-N 1 2 231.303 1.480 20 70 BDIDLO Cn1cnnc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000160803146 323136122 /nfs/dbraw/zinc/13/61/22/323136122.db2.gz GAIVSQMQCMWZHL-LLVKDONJSA-N 1 2 231.303 1.480 20 70 BDIDLO CC[N@H+](Cc1nncn1C)Cc1ccccc1 ZINC000160678538 357168641 /nfs/dbraw/zinc/16/86/41/357168641.db2.gz RXDBRINJEFIQHC-UHFFFAOYSA-N 1 2 230.315 1.837 20 70 BDIDLO CC[N@@H+](Cc1nncn1C)Cc1ccccc1 ZINC000160678538 357168644 /nfs/dbraw/zinc/16/86/44/357168644.db2.gz RXDBRINJEFIQHC-UHFFFAOYSA-N 1 2 230.315 1.837 20 70 BDIDLO COc1ccc[nH+]c1N[C@@H](C)CCCO ZINC000159483779 538877197 /nfs/dbraw/zinc/87/71/97/538877197.db2.gz DSUNDOGUJVSQIF-VIFPVBQESA-N 1 2 210.277 1.663 20 70 BDIDLO CCn1cc[nH+]c1CN1C[C@H](C)OC[C@@H]1C ZINC000160767519 358445396 /nfs/dbraw/zinc/44/53/96/358445396.db2.gz GZULAFXKKGNMKF-QWRGUYRKSA-N 1 2 223.320 1.512 20 70 BDIDLO CC[C@H](C)[C@H]([NH2+]CCC(C)(C)O)C(=O)OC ZINC000159806119 361291108 /nfs/dbraw/zinc/29/11/08/361291108.db2.gz WQZLKJKTASOEDI-UWVGGRQHSA-N 1 2 231.336 1.325 20 70 BDIDLO CCc1nnc(C[NH2+][C@H](C)c2cccnc2)[nH]1 ZINC000160276585 361302792 /nfs/dbraw/zinc/30/27/92/361302792.db2.gz QDDHMPRNFUTVLQ-SECBINFHSA-N 1 2 231.303 1.613 20 70 BDIDLO Cc1cc(N2CCC[C@](C)(O)C2)nc[nH+]1 ZINC000160849002 361331437 /nfs/dbraw/zinc/33/14/37/361331437.db2.gz WMZOKBUHCGPJKZ-NSHDSACASA-N 1 2 207.277 1.136 20 70 BDIDLO Cn1nncc1C[N@H+](C)Cc1cccc(F)c1 ZINC000160457388 384412738 /nfs/dbraw/zinc/41/27/38/384412738.db2.gz COCUNCPRZTWLKQ-UHFFFAOYSA-N 1 2 234.278 1.586 20 70 BDIDLO Cn1nncc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000160457388 384412751 /nfs/dbraw/zinc/41/27/51/384412751.db2.gz COCUNCPRZTWLKQ-UHFFFAOYSA-N 1 2 234.278 1.586 20 70 BDIDLO COc1ccc[nH+]c1NC[C@@]1(OC)CCOC1 ZINC000160644358 323075607 /nfs/dbraw/zinc/07/56/07/323075607.db2.gz FHZBAZLUPJQEFW-LBPRGKRZSA-N 1 2 238.287 1.308 20 70 BDIDLO C[C@H](O)C[N@H+](C)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000159430638 345433433 /nfs/dbraw/zinc/43/34/33/345433433.db2.gz KFPQWMBJPZRGSM-IUCAKERBSA-N 1 2 241.335 1.741 20 70 BDIDLO C[C@H](O)C[N@@H+](C)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000159430638 345433437 /nfs/dbraw/zinc/43/34/37/345433437.db2.gz KFPQWMBJPZRGSM-IUCAKERBSA-N 1 2 241.335 1.741 20 70 BDIDLO Cc1nc(NCCCNC(=O)C(C)C)cc[nH+]1 ZINC000161433241 323513929 /nfs/dbraw/zinc/51/39/29/323513929.db2.gz JKGCOINTXKBRDR-UHFFFAOYSA-N 1 2 236.319 1.359 20 70 BDIDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC000160370178 356490577 /nfs/dbraw/zinc/49/05/77/356490577.db2.gz SKIQDRDWCGODBR-NSHDSACASA-N 1 2 240.253 1.415 20 70 BDIDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC000160370178 356490581 /nfs/dbraw/zinc/49/05/81/356490581.db2.gz SKIQDRDWCGODBR-NSHDSACASA-N 1 2 240.253 1.415 20 70 BDIDLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)nc1 ZINC000160115649 541496148 /nfs/dbraw/zinc/49/61/48/541496148.db2.gz KVHIMFKKNYCZFJ-ZDUSSCGKSA-N 1 2 247.342 1.346 20 70 BDIDLO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)nc1 ZINC000160115649 541496150 /nfs/dbraw/zinc/49/61/50/541496150.db2.gz KVHIMFKKNYCZFJ-ZDUSSCGKSA-N 1 2 247.342 1.346 20 70 BDIDLO COc1ccc[nH+]c1NC[C@H]1CCCOC1 ZINC000159455099 384199547 /nfs/dbraw/zinc/19/95/47/384199547.db2.gz ZMPONBUNMNXVTG-SNVBAGLBSA-N 1 2 222.288 1.929 20 70 BDIDLO Cc1oc2ccccc2c1C[N@@H+]1CCNC(=O)C1 ZINC000160498315 384414907 /nfs/dbraw/zinc/41/49/07/384414907.db2.gz VWKLOIXADZSGEW-UHFFFAOYSA-N 1 2 244.294 1.673 20 70 BDIDLO Cc1oc2ccccc2c1C[N@H+]1CCNC(=O)C1 ZINC000160498315 384414913 /nfs/dbraw/zinc/41/49/13/384414913.db2.gz VWKLOIXADZSGEW-UHFFFAOYSA-N 1 2 244.294 1.673 20 70 BDIDLO CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)F ZINC000160615505 384422503 /nfs/dbraw/zinc/42/25/03/384422503.db2.gz MIFJCJUQKYIAQA-UHFFFAOYSA-N 1 2 227.283 1.480 20 70 BDIDLO Cn1nncc1C[N@H+](C)Cc1ccccc1F ZINC000160724457 384430615 /nfs/dbraw/zinc/43/06/15/384430615.db2.gz GBCYEOQXUXPKNV-UHFFFAOYSA-N 1 2 234.278 1.586 20 70 BDIDLO Cn1nncc1C[N@@H+](C)Cc1ccccc1F ZINC000160724457 384430618 /nfs/dbraw/zinc/43/06/18/384430618.db2.gz GBCYEOQXUXPKNV-UHFFFAOYSA-N 1 2 234.278 1.586 20 70 BDIDLO CC[C@](C)(CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000160421123 388063749 /nfs/dbraw/zinc/06/37/49/388063749.db2.gz RZBVRTNOHPYMRE-GFCCVEGCSA-N 1 2 221.304 1.927 20 70 BDIDLO C[C@H]1COCC[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000159819677 177292085 /nfs/dbraw/zinc/29/20/85/177292085.db2.gz VYTCEOIVYBMULQ-VIFPVBQESA-N 1 2 225.263 1.752 20 70 BDIDLO C[C@H]1COCC[N@H+]1Cc1cc(O)cc(F)c1 ZINC000159819677 177292087 /nfs/dbraw/zinc/29/20/87/177292087.db2.gz VYTCEOIVYBMULQ-VIFPVBQESA-N 1 2 225.263 1.752 20 70 BDIDLO CCOC(=O)[C@H]([NH2+]CCC(C)(C)O)[C@H](C)CC ZINC000159618704 323040712 /nfs/dbraw/zinc/04/07/12/323040712.db2.gz NLPIRAAHDFDUOI-GHMZBOCLSA-N 1 2 245.363 1.715 20 70 BDIDLO O=C(/C=C\c1ccccc1F)NCc1[nH]cc[nH+]1 ZINC000217009283 592092412 /nfs/dbraw/zinc/09/24/12/592092412.db2.gz SLYUDWAMUBMJAC-WAYWQWQTSA-N 1 2 245.257 1.878 20 70 BDIDLO CCCc1nc(C[N@@H+]2CCCSCC2)no1 ZINC000161489726 349464972 /nfs/dbraw/zinc/46/49/72/349464972.db2.gz KICZGFMPEWIOBI-UHFFFAOYSA-N 1 2 241.360 1.961 20 70 BDIDLO CCCc1nc(C[N@H+]2CCCSCC2)no1 ZINC000161489726 349464974 /nfs/dbraw/zinc/46/49/74/349464974.db2.gz KICZGFMPEWIOBI-UHFFFAOYSA-N 1 2 241.360 1.961 20 70 BDIDLO COc1cc(C)[nH+]c(Cn2ccccc2=O)c1 ZINC000160973620 349362001 /nfs/dbraw/zinc/36/20/01/349362001.db2.gz SFLSMDONFNCATD-UHFFFAOYSA-N 1 2 230.267 1.609 20 70 BDIDLO c1cc(CSCC[NH+]2CCOCC2)no1 ZINC000159790888 183355604 /nfs/dbraw/zinc/35/56/04/183355604.db2.gz DGIYUJVYWOUZPZ-UHFFFAOYSA-N 1 2 228.317 1.240 20 70 BDIDLO CCN(CC)C(=O)CSCCn1cc[nH+]c1 ZINC000160202717 384392595 /nfs/dbraw/zinc/39/25/95/384392595.db2.gz OODAAYQGASOFDG-UHFFFAOYSA-N 1 2 241.360 1.485 20 70 BDIDLO CC(C)OC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160309825 384399597 /nfs/dbraw/zinc/39/95/97/384399597.db2.gz WITQBHXMOGUOML-UHFFFAOYSA-N 1 2 249.314 1.749 20 70 BDIDLO C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161441588 387212579 /nfs/dbraw/zinc/21/25/79/387212579.db2.gz VFBODFIMVBVASN-UTUOFQBUSA-N 1 2 247.342 1.750 20 70 BDIDLO CCN(CC(C)C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159574948 134780133 /nfs/dbraw/zinc/78/01/33/134780133.db2.gz WIEKUQRWWJFAGH-GFCCVEGCSA-N 1 2 249.358 1.950 20 70 BDIDLO CC[C@@H]1COCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160463636 171106966 /nfs/dbraw/zinc/10/69/66/171106966.db2.gz DHAQCRLKZYDGKZ-GFCCVEGCSA-N 1 2 245.326 1.945 20 70 BDIDLO CC[C@@H]1COCC[N@H+]1Cc1cnc2ccccn12 ZINC000160463636 171106967 /nfs/dbraw/zinc/10/69/67/171106967.db2.gz DHAQCRLKZYDGKZ-GFCCVEGCSA-N 1 2 245.326 1.945 20 70 BDIDLO COCCN(CC(C)C)c1cc[nH+]c(C)n1 ZINC000160912696 174288555 /nfs/dbraw/zinc/28/85/55/174288555.db2.gz UBRARHMVWPGLMC-UHFFFAOYSA-N 1 2 223.320 1.894 20 70 BDIDLO COc1ccc(C(=O)Nc2cc[nH+]c(C)c2)nn1 ZINC000159924398 323054112 /nfs/dbraw/zinc/05/41/12/323054112.db2.gz IHQJDKPHXGRFHS-UHFFFAOYSA-N 1 2 244.254 1.441 20 70 BDIDLO FC(F)(F)CSCC[NH+]1CCOCC1 ZINC000160059884 323059139 /nfs/dbraw/zinc/05/91/39/323059139.db2.gz WCTKJZQOJTXKHX-UHFFFAOYSA-N 1 2 229.267 1.614 20 70 BDIDLO C[C@H]1COC[C@H](C)[NH+]1Cc1cnc2ccccn12 ZINC000160572145 323072809 /nfs/dbraw/zinc/07/28/09/323072809.db2.gz HTGNXJXTXKXGEW-RYUDHWBXSA-N 1 2 245.326 1.944 20 70 BDIDLO COc1ccc[nH+]c1N(C)CC(C)(C)O ZINC000160311632 324138399 /nfs/dbraw/zinc/13/83/99/324138399.db2.gz OOHFGCYZLYRJJR-UHFFFAOYSA-N 1 2 210.277 1.297 20 70 BDIDLO O=C(Nc1nccs1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000217911107 345744222 /nfs/dbraw/zinc/74/42/22/345744222.db2.gz DJCSIDQUBCHSDH-YFKPBYRVSA-N 1 2 233.243 1.079 20 70 BDIDLO COC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160195072 345813405 /nfs/dbraw/zinc/81/34/05/345813405.db2.gz WLLWDPDUWDZJBJ-GFCCVEGCSA-N 1 2 234.299 1.700 20 70 BDIDLO COC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160195072 345813406 /nfs/dbraw/zinc/81/34/06/345813406.db2.gz WLLWDPDUWDZJBJ-GFCCVEGCSA-N 1 2 234.299 1.700 20 70 BDIDLO CCc1nnc(C[N@H+](C)CCc2ccccn2)[nH]1 ZINC000159581024 346425341 /nfs/dbraw/zinc/42/53/41/346425341.db2.gz BWVDCWAKZJIISJ-UHFFFAOYSA-N 1 2 245.330 1.437 20 70 BDIDLO CCc1nnc(C[N@@H+](C)CCc2ccccn2)[nH]1 ZINC000159581024 346425342 /nfs/dbraw/zinc/42/53/42/346425342.db2.gz BWVDCWAKZJIISJ-UHFFFAOYSA-N 1 2 245.330 1.437 20 70 BDIDLO Cc1nc(N[C@@H](CO)CC(C)(C)C)cc[nH+]1 ZINC000161413070 180203681 /nfs/dbraw/zinc/20/36/81/180203681.db2.gz OJJSDGOGDUWHCH-SNVBAGLBSA-N 1 2 223.320 1.994 20 70 BDIDLO Cc1nc(N2CCC[C@@](C)(O)C2)cc[nH+]1 ZINC000160842651 388094206 /nfs/dbraw/zinc/09/42/06/388094206.db2.gz INXLVQYSIUZWBP-LLVKDONJSA-N 1 2 207.277 1.136 20 70 BDIDLO CC(C)NC(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000161144899 167059029 /nfs/dbraw/zinc/05/90/29/167059029.db2.gz HYXXTIOXKNUYOX-QMMMGPOBSA-N 1 2 227.333 1.318 20 70 BDIDLO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000161142611 170089164 /nfs/dbraw/zinc/08/91/64/170089164.db2.gz USBTUHZXUKOCLG-HTQZYQBOSA-N 1 2 227.333 1.318 20 70 BDIDLO CCn1cnnc1C[NH2+]Cc1ccsc1 ZINC000218228591 172236322 /nfs/dbraw/zinc/23/63/22/172236322.db2.gz LEFYRJKMUVRNPI-UHFFFAOYSA-N 1 2 222.317 1.649 20 70 BDIDLO COc1ccc[nH+]c1N[C@H]1CCCOC1 ZINC000159471064 322969792 /nfs/dbraw/zinc/96/97/92/322969792.db2.gz NJSVHTFSSKBRLU-VIFPVBQESA-N 1 2 208.261 1.681 20 70 BDIDLO COc1ccc[nH+]c1NC[C@@H]1CCCO1 ZINC000160198546 323063290 /nfs/dbraw/zinc/06/32/90/323063290.db2.gz KHNWYDQYZGVLPW-VIFPVBQESA-N 1 2 208.261 1.681 20 70 BDIDLO C[C@@H](O)C[NH2+]CC(F)(F)c1ccccc1 ZINC000161168379 487482237 /nfs/dbraw/zinc/48/22/37/487482237.db2.gz HWBDBWFRAAXHSJ-SECBINFHSA-N 1 2 215.243 1.749 20 70 BDIDLO COc1ccc[nH+]c1NCc1cc(C)on1 ZINC000160221828 323064345 /nfs/dbraw/zinc/06/43/45/323064345.db2.gz XSSATGCYEQJXNP-UHFFFAOYSA-N 1 2 219.244 1.999 20 70 BDIDLO CCOCCCNc1[nH+]cccc1OC ZINC000160198158 353520335 /nfs/dbraw/zinc/52/03/35/353520335.db2.gz CJDDEDIECDKNJS-UHFFFAOYSA-N 1 2 210.277 1.929 20 70 BDIDLO COCC[C@H](C)Nc1[nH+]cccc1OC ZINC000159466993 384225923 /nfs/dbraw/zinc/22/59/23/384225923.db2.gz JVDOJMSLMVKNJL-VIFPVBQESA-N 1 2 210.277 1.927 20 70 BDIDLO C/C(=C/c1ccccc1)C[N@@H+]1CCNC(=O)C1 ZINC000160501342 384414830 /nfs/dbraw/zinc/41/48/30/384414830.db2.gz UNYKHEDOMQDUBM-XFXZXTDPSA-N 1 2 230.311 1.522 20 70 BDIDLO C/C(=C/c1ccccc1)C[N@H+]1CCNC(=O)C1 ZINC000160501342 384414838 /nfs/dbraw/zinc/41/48/38/384414838.db2.gz UNYKHEDOMQDUBM-XFXZXTDPSA-N 1 2 230.311 1.522 20 70 BDIDLO CCOC(C)(C)CNc1[nH+]cnc2c1cnn2C ZINC000159547273 170315120 /nfs/dbraw/zinc/31/51/20/170315120.db2.gz QADRHNJGPXAVKH-UHFFFAOYSA-N 1 2 249.318 1.590 20 70 BDIDLO CN(Cc1[nH+]ccn1C)C(=O)C1(C)CC1 ZINC000159812293 323049180 /nfs/dbraw/zinc/04/91/80/323049180.db2.gz CEIDNRUDFKSLRL-UHFFFAOYSA-N 1 2 207.277 1.179 20 70 BDIDLO CCc1c[nH]c(SCCn2cc[nH+]c2)n1 ZINC000160178172 323062906 /nfs/dbraw/zinc/06/29/06/323062906.db2.gz LVTQBWDZLHHFRJ-UHFFFAOYSA-N 1 2 222.317 1.961 20 70 BDIDLO COc1ccc[nH+]c1NCc1cc(C)no1 ZINC000160222726 323064250 /nfs/dbraw/zinc/06/42/50/323064250.db2.gz ZVOLUGUSNSUVNB-UHFFFAOYSA-N 1 2 219.244 1.999 20 70 BDIDLO CCC(CC)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161433558 349446734 /nfs/dbraw/zinc/44/67/34/349446734.db2.gz QJVUHJIIJARLDK-LBPRGKRZSA-N 1 2 249.358 1.998 20 70 BDIDLO CCCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000161401503 349429026 /nfs/dbraw/zinc/42/90/26/349429026.db2.gz JTLFEHCLYVEHLE-LLVKDONJSA-N 1 2 247.342 1.847 20 70 BDIDLO CCCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000161401641 349429662 /nfs/dbraw/zinc/42/96/62/349429662.db2.gz JTLFEHCLYVEHLE-NSHDSACASA-N 1 2 247.342 1.847 20 70 BDIDLO C[N@H+](CC(=O)c1ccccc1F)[C@@H]1CCOC1 ZINC000160031867 386034267 /nfs/dbraw/zinc/03/42/67/386034267.db2.gz LWYRBBVKMGFFIU-SNVBAGLBSA-N 1 2 237.274 1.729 20 70 BDIDLO C[N@@H+](CC(=O)c1ccccc1F)[C@@H]1CCOC1 ZINC000160031867 386034272 /nfs/dbraw/zinc/03/42/72/386034272.db2.gz LWYRBBVKMGFFIU-SNVBAGLBSA-N 1 2 237.274 1.729 20 70 BDIDLO CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159497995 170001709 /nfs/dbraw/zinc/00/17/09/170001709.db2.gz VBRKXKNVVHWJFJ-QWRGUYRKSA-N 1 2 225.288 1.424 20 70 BDIDLO CC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159497995 170001710 /nfs/dbraw/zinc/00/17/10/170001710.db2.gz VBRKXKNVVHWJFJ-QWRGUYRKSA-N 1 2 225.288 1.424 20 70 BDIDLO