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)[NH+]1CCC([N@H+](C)Cc2ccc(Cl)c3cccnc23)CC1 ZINC000071850358 203127568 /nfs/dbraw/zinc/12/75/68/203127568.db2.gz MFEHZSLAYYFPKJ-UHFFFAOYSA-N 2 0 331.891 4.193 50 0 EIAARP Cc1ccc2ncccc2c1C[NH+]1CCC([C@@H](C)[NH+]2CCCC2)CC1 ZINC000072424593 203222073 /nfs/dbraw/zinc/22/20/73/203222073.db2.gz AROJERNBAMHBJS-GOSISDBHSA-N 2 0 337.511 4.240 50 0 EIAARP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012194194 563655772 /nfs/dbraw/zinc/65/57/72/563655772.db2.gz UXJYOJFQGOJIRK-UHFFFAOYSA-N 2 0 340.486 4.212 50 0 EIAARP Cc1n[nH]c(CN2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1Cl ZINC000952979761 1049685754 /nfs/dbraw/zinc/68/57/54/1049685754.db2.gz FRQWORBTIWDBJG-GOSISDBHSA-N 2 0 346.906 4.160 50 0 EIAARP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc([C@@H]3CCCCO3)o2)cc1 ZINC000215032061 536002227 /nfs/dbraw/zinc/00/22/27/536002227.db2.gz HCJSFUZIMOMQKN-FQEVSTJZSA-N 2 0 342.483 4.215 50 0 EIAARP Clc1ccc(COc2cccc(C[NH2+]CC3CC[NH2+]CC3)c2)cc1 ZINC000010434569 563647653 /nfs/dbraw/zinc/64/76/53/563647653.db2.gz AFCQYUNVNKMGTR-UHFFFAOYSA-N 2 0 344.886 4.008 50 0 EIAARP C[N@@H+](Cc1ccsc1)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012197298 563655924 /nfs/dbraw/zinc/65/59/24/563655924.db2.gz KZELSPPSUQOMHT-UHFFFAOYSA-N 2 0 346.515 4.274 50 0 EIAARP C[C@@H](c1ccc(-c2ccccc2OCC[NH+](C)C)cc1)[NH+]1CCCC1 ZINC000096140863 563979523 /nfs/dbraw/zinc/97/95/23/563979523.db2.gz JBGMAYYFEUHSQT-SFHVURJKSA-N 2 0 338.495 4.451 50 0 EIAARP c1csc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000248408637 564064731 /nfs/dbraw/zinc/06/47/31/564064731.db2.gz CFQKSPRNMVTUEI-LDLYASANSA-N 2 0 326.509 4.076 50 0 EIAARP Cc1ccc(C[N@H+](C)CC2CC[NH+](CCc3ccccc3F)CC2)o1 ZINC000011815584 1043256231 /nfs/dbraw/zinc/25/62/31/1043256231.db2.gz BKGAGJVJVCZAPP-UHFFFAOYSA-N 2 0 344.474 4.114 50 0 EIAARP C[C@H](c1cccc(C[N@H+](C)Cc2ccc3ncccc3c2)c1)[NH+](C)C ZINC000952982237 1049688518 /nfs/dbraw/zinc/68/85/18/1049688518.db2.gz FWILUOXNATZCFM-QGZVFWFLSA-N 2 0 333.479 4.489 50 0 EIAARP C[N@H+](CC1CC[NH+](CCc2cccc(F)c2)CC1)C[C@H]1CC=CCC1 ZINC000012430185 563660445 /nfs/dbraw/zinc/66/04/45/563660445.db2.gz MYRYIPXWTXOKGR-FQEVSTJZSA-N 2 0 344.518 4.368 50 0 EIAARP C[N@H+](CC1CCCC1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012572426 563663461 /nfs/dbraw/zinc/66/34/61/563663461.db2.gz RRMALLDOYFBGGW-UHFFFAOYSA-N 2 0 332.507 4.202 50 0 EIAARP C[NH2+]CCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000248047318 564052957 /nfs/dbraw/zinc/05/29/57/564052957.db2.gz WSGRSPRDWPVNOW-UHFFFAOYSA-N 2 0 341.886 4.042 50 0 EIAARP Cc1cc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)c(C)n1CC(C)C ZINC000007736239 564122478 /nfs/dbraw/zinc/12/24/78/564122478.db2.gz HGWCTXCNUUDBFO-UHFFFAOYSA-N 2 0 327.516 4.112 50 0 EIAARP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)c(C)c1C ZINC000011946392 1043742455 /nfs/dbraw/zinc/74/24/55/1043742455.db2.gz BWVVGCBBIBNRCN-QFIPXVFZSA-N 2 0 342.527 4.010 50 0 EIAARP C[N@H+](CCC[C@@H]1CCCO1)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000215570279 241133952 /nfs/dbraw/zinc/13/39/52/241133952.db2.gz DKBJBSBPQYZTNS-QGZVFWFLSA-N 2 0 336.545 4.125 50 0 EIAARP Clc1ccc(-c2ccc(C[NH2+]CC3CC[NH2+]CC3)o2)c(Cl)c1 ZINC000010434580 563648005 /nfs/dbraw/zinc/64/80/05/563648005.db2.gz MWYSGWAOVIRUJZ-UHFFFAOYSA-N 2 0 339.266 4.343 50 0 EIAARP COc1c(C)cc([C@H](C)NC2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000796979569 1041103090 /nfs/dbraw/zinc/10/30/90/1041103090.db2.gz GRBIJXOORNHALS-OOHWJJMZSA-N 2 0 336.907 4.325 50 0 EIAARP COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(C[NH+](C)C)cs2)c1 ZINC000215409175 241122155 /nfs/dbraw/zinc/12/21/55/241122155.db2.gz WGYRJHAHDNXZBT-IBGZPJMESA-N 2 0 330.497 4.155 50 0 EIAARP CCn1ncc(C[N@@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1C ZINC000072476583 203232161 /nfs/dbraw/zinc/23/21/61/203232161.db2.gz YURSXPWFWHCPAK-NRFANRHFSA-N 2 0 340.515 4.000 50 0 EIAARP Clc1ccccc1COc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000016578007 563814925 /nfs/dbraw/zinc/81/49/25/563814925.db2.gz MQVOQODEVXRBLO-UHFFFAOYSA-N 2 0 344.886 4.008 50 0 EIAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000091304397 563975207 /nfs/dbraw/zinc/97/52/07/563975207.db2.gz TVGZKAMMYWXSDF-QFIPXVFZSA-N 2 0 349.522 4.173 50 0 EIAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ccccn3)CC2)C1 ZINC000091831112 564087965 /nfs/dbraw/zinc/08/79/65/564087965.db2.gz RCXOWMCGOXKXPG-OAQYLSRUSA-N 2 0 349.522 4.173 50 0 EIAARP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000020306070 202038192 /nfs/dbraw/zinc/03/81/92/202038192.db2.gz JKSWTNVJFBWRJW-LBPRGKRZSA-N 2 0 333.339 4.111 50 0 EIAARP Cc1c2cccc(C)c2[nH]c1C[NH+]1CCC2(CC1)CCC[N@@H+](C)CC2 ZINC000216368658 241185443 /nfs/dbraw/zinc/18/54/43/241185443.db2.gz QYYQKDNMTBKRKB-UHFFFAOYSA-N 2 0 339.527 4.483 50 0 EIAARP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@@H](C)C1 ZINC000221896980 564036534 /nfs/dbraw/zinc/03/65/34/564036534.db2.gz JKNMKSPSELCWLY-QFBILLFUSA-N 2 0 348.494 4.050 50 0 EIAARP C[C@H](Cc1ccccn1)[N@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000823648965 1044295398 /nfs/dbraw/zinc/29/53/98/1044295398.db2.gz CWALIMLAVBHANF-QGZVFWFLSA-N 2 0 343.540 4.192 50 0 EIAARP [NH3+]CCCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000006864031 563589308 /nfs/dbraw/zinc/58/93/08/563589308.db2.gz HQKDFYFSZCDXNN-UHFFFAOYSA-N 2 0 330.475 4.307 50 0 EIAARP Cc1ccc2[nH+]c(C)cc(Nc3ccc(N4CC[NH+](C)CC4)cc3)c2c1 ZINC000012462597 563661589 /nfs/dbraw/zinc/66/15/89/563661589.db2.gz HRIDZTONLZEPIE-UHFFFAOYSA-N 2 0 346.478 4.347 50 0 EIAARP Cc1ccccc1Cn1cc(C[NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000248155076 564053014 /nfs/dbraw/zinc/05/30/14/564053014.db2.gz LNPASYIIYLATJC-UHFFFAOYSA-N 2 0 347.506 4.087 50 0 EIAARP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)CC3CCCC3)C2)cc1 ZINC000011878841 1043506739 /nfs/dbraw/zinc/50/67/39/1043506739.db2.gz AKADMUNWSXYXGU-NRFANRHFSA-N 2 0 344.543 4.072 50 0 EIAARP c1ccc(COC(C[NH2+]C2CCCCC2)C[NH2+]C2CCCCC2)cc1 ZINC000000173907 563252341 /nfs/dbraw/zinc/25/23/41/563252341.db2.gz ISWJVSNRWZLBOB-UHFFFAOYSA-N 2 0 344.543 4.416 50 0 EIAARP CC1(C)CC(N2CCCCC2)=C/C(=[NH+]\CCC[NH+]2CCCCC2)C1 ZINC000043279515 563861599 /nfs/dbraw/zinc/86/15/99/563861599.db2.gz SWZHWEDAFJUNTB-ZBJSNUHESA-N 2 0 331.548 4.493 50 0 EIAARP Cc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)C2CCSCC2)C1 ZINC000055107708 563933614 /nfs/dbraw/zinc/93/36/14/563933614.db2.gz NEEQOAFAPQZVAI-LJQANCHMSA-N 2 0 346.584 4.077 50 0 EIAARP CSC[C@@H](C)[NH+](C)Cc1cccc(C[N@@H+](C)[C@H](C)CSC)c1 ZINC000106914397 564026767 /nfs/dbraw/zinc/02/67/67/564026767.db2.gz QTDYXQVFJCIBQA-HZPDHXFCSA-N 2 0 340.602 4.053 50 0 EIAARP c1csc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000248408638 564064741 /nfs/dbraw/zinc/06/47/41/564064741.db2.gz CFQKSPRNMVTUEI-REPLKXPHSA-N 2 0 326.509 4.076 50 0 EIAARP C[N@@H+](Cc1cc2cc(F)ccc2[nH]1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000055107471 214273081 /nfs/dbraw/zinc/27/30/81/214273081.db2.gz SLBQLKSKWYPRKM-MGPUTAFESA-N 2 0 329.463 4.003 50 0 EIAARP Cc1ccc2ncccc2c1C[NH+]1CCC([C@H](C)[NH+]2CCCC2)CC1 ZINC000072424594 216214196 /nfs/dbraw/zinc/21/41/96/216214196.db2.gz AROJERNBAMHBJS-SFHVURJKSA-N 2 0 337.511 4.240 50 0 EIAARP CCn1ncc(C[N@@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1C ZINC000072476582 216254767 /nfs/dbraw/zinc/25/47/67/216254767.db2.gz YURSXPWFWHCPAK-OAQYLSRUSA-N 2 0 340.515 4.000 50 0 EIAARP C[N@H+](CCC[C@H]1CCCO1)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000215570324 241134603 /nfs/dbraw/zinc/13/46/03/241134603.db2.gz DKBJBSBPQYZTNS-KRWDZBQOSA-N 2 0 336.545 4.125 50 0 EIAARP CC(C)CC[C@]1(CC[NH2+]CCC[NH+](C)C)CCO[C@H](C(C)C)C1 ZINC000009530617 211099749 /nfs/dbraw/zinc/09/97/49/211099749.db2.gz QUDBQDYIZVMSGS-PMACEKPBSA-N 2 0 326.569 4.175 50 0 EIAARP Fc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCC4)c3n2)cc1 ZINC000005757311 564031810 /nfs/dbraw/zinc/03/18/10/564031810.db2.gz FTKDSLCZAWWEIS-UHFFFAOYSA-N 2 0 348.425 4.191 50 0 EIAARP C[C@H]1CC(CC[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C[C@H](C)C1 ZINC000089123511 564081702 /nfs/dbraw/zinc/08/17/02/564081702.db2.gz ZFWGKUIBXXMISA-QZTJIDSGSA-N 2 0 336.564 4.024 50 0 EIAARP Cc1c(C[NH2+]C2CCN(Cc3cccs3)CC2)[nH]c2ccccc12 ZINC000952986405 1049691844 /nfs/dbraw/zinc/69/18/44/1049691844.db2.gz ZTSRJKOEKAHDIK-UHFFFAOYSA-N 2 0 339.508 4.292 50 0 EIAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000091304393 563975212 /nfs/dbraw/zinc/97/52/12/563975212.db2.gz TVGZKAMMYWXSDF-JOCHJYFZSA-N 2 0 349.522 4.173 50 0 EIAARP COc1ccccc1C[NH+]1CCC(C[N@H+](CC(C)C)C2CCC2)CC1 ZINC000014974145 564035804 /nfs/dbraw/zinc/03/58/04/564035804.db2.gz ZORXYYJUWAVWGM-UHFFFAOYSA-N 2 0 344.543 4.418 50 0 EIAARP Cc1cc(C[NH+]2CCC(n3ccnc3)CC2)ccc1Oc1cccnc1 ZINC000092648747 564089044 /nfs/dbraw/zinc/08/90/44/564089044.db2.gz LPGWZSDKJSNNDI-UHFFFAOYSA-N 2 0 348.450 4.216 50 0 EIAARP c1ccc(COC(C[NH+]2CCCCCC2)C[NH+]2CCCCCC2)cc1 ZINC000004399076 210187837 /nfs/dbraw/zinc/18/78/37/210187837.db2.gz DABAZMUSWLQFIC-UHFFFAOYSA-N 2 0 344.543 4.324 50 0 EIAARP c1ccc(C2=CC[N@H+](Cc3cccc(OC4CC[NH2+]CC4)c3)CC2)cc1 ZINC000299788844 258095094 /nfs/dbraw/zinc/09/50/94/258095094.db2.gz TYCWCZGFWVMAQI-UHFFFAOYSA-N 2 0 348.490 4.107 50 0 EIAARP CC(C)CC[C@@]1(CC[NH2+]CCC[NH+](C)C)CCO[C@@H](C(C)C)C1 ZINC000013550168 563930045 /nfs/dbraw/zinc/93/00/45/563930045.db2.gz QUDBQDYIZVMSGS-WOJBJXKFSA-N 2 0 326.569 4.175 50 0 EIAARP Cc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)C2CCSCC2)C1 ZINC000055107710 214272968 /nfs/dbraw/zinc/27/29/68/214272968.db2.gz NEEQOAFAPQZVAI-IBGZPJMESA-N 2 0 346.584 4.077 50 0 EIAARP Cc1ccsc1C[N@H+](Cc1ccccn1)CC1(C)CC[NH+](C)CC1 ZINC000055403796 214319737 /nfs/dbraw/zinc/31/97/37/214319737.db2.gz XNSHTPZUZDJSDY-UHFFFAOYSA-N 2 0 343.540 4.186 50 0 EIAARP Cc1cc(C[NH+]2CCCC2)ccc1OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072409701 216200939 /nfs/dbraw/zinc/20/09/39/216200939.db2.gz OJPWCVZEGLBEHC-LEWJYISDSA-N 2 0 342.527 4.234 50 0 EIAARP C[NH+]1CCC(C[N@H+](CCc2ccccc2)Cc2ccccc2F)CC1 ZINC000012204251 211320696 /nfs/dbraw/zinc/32/06/96/211320696.db2.gz MKLVPHLDYFLQBG-UHFFFAOYSA-N 2 0 340.486 4.212 50 0 EIAARP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc([C@H]3CCCCO3)o2)cc1 ZINC000215032110 536001788 /nfs/dbraw/zinc/00/17/88/536001788.db2.gz HCJSFUZIMOMQKN-HXUWFJFHSA-N 2 0 342.483 4.215 50 0 EIAARP CCCC[NH+](CCCC)CCNCC[NH+](CCCC)CCCC ZINC000044076111 563926050 /nfs/dbraw/zinc/92/60/50/563926050.db2.gz LLHVBJQIWZHCCV-UHFFFAOYSA-N 2 0 327.601 4.380 50 0 EIAARP CCc1nccn1CCC[NH2+]Cc1[nH]c2ccc(Cl)cc2c1C ZINC000952988340 1049691548 /nfs/dbraw/zinc/69/15/48/1049691548.db2.gz NPSNYHQLOGYMTL-UHFFFAOYSA-N 2 0 330.863 4.069 50 0 EIAARP c1ccc(CC[NH2+]Cc2cccc(C[NH2+]CCc3ccccc3)c2)cc1 ZINC000023424863 212376742 /nfs/dbraw/zinc/37/67/42/212376742.db2.gz BJZQIBNIWOPAGI-UHFFFAOYSA-N 2 0 344.502 4.351 50 0 EIAARP C[N@H+](CC1CC[NH+](CCc2ccc(F)cc2)CC1)C[C@@H]1CC=CCC1 ZINC000012301619 211337376 /nfs/dbraw/zinc/33/73/76/211337376.db2.gz MHQJBGLWYMNCRC-HXUWFJFHSA-N 2 0 344.518 4.368 50 0 EIAARP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@@H](C)C1 ZINC000221897042 564036590 /nfs/dbraw/zinc/03/65/90/564036590.db2.gz JKNMKSPSELCWLY-LPHOPBHVSA-N 2 0 348.494 4.050 50 0 EIAARP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000152118928 564079722 /nfs/dbraw/zinc/07/97/22/564079722.db2.gz XIZPBVIJTKQLJC-JOCHJYFZSA-N 2 0 347.462 4.107 50 0 EIAARP C[C@@H](Cc1ccccn1)[N@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000823648964 1044294498 /nfs/dbraw/zinc/29/44/98/1044294498.db2.gz CWALIMLAVBHANF-KRWDZBQOSA-N 2 0 343.540 4.192 50 0 EIAARP Clc1ccccc1COc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000010434552 211172117 /nfs/dbraw/zinc/17/21/17/211172117.db2.gz ZVCSIXJZIIJHST-UHFFFAOYSA-N 2 0 344.886 4.008 50 0 EIAARP COc1cc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)ccc1SC(F)F ZINC000096477136 218854230 /nfs/dbraw/zinc/85/42/30/218854230.db2.gz NMBQORSKCCAKOU-LBPRGKRZSA-N 2 0 344.471 4.002 50 0 EIAARP C[N@H+](Cc1cccs1)Cc1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000299777694 258087745 /nfs/dbraw/zinc/08/77/45/258087745.db2.gz FMRYILYFMIRHNM-GOSISDBHSA-N 2 0 344.524 4.291 50 0 EIAARP C[C@@H]1CC(CC[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C[C@@H](C)C1 ZINC000089123510 564081693 /nfs/dbraw/zinc/08/16/93/564081693.db2.gz ZFWGKUIBXXMISA-ROUUACIJSA-N 2 0 336.564 4.024 50 0 EIAARP Cc1cc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c2ccccc2[nH+]1 ZINC000089583033 564092968 /nfs/dbraw/zinc/09/29/68/564092968.db2.gz MMHFOHZLUBQANJ-UHFFFAOYSA-N 2 0 349.453 4.395 50 0 EIAARP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@H](C)C1 ZINC000095967985 564143155 /nfs/dbraw/zinc/14/31/55/564143155.db2.gz JKNMKSPSELCWLY-APWZRJJASA-N 2 0 348.494 4.050 50 0 EIAARP CCn1ccc2c1cccc2C[N@@H+]1CCCN(c2cc[nH+]cc2C)CC1 ZINC000952969797 1049684482 /nfs/dbraw/zinc/68/44/82/1049684482.db2.gz JZYGGCKAFMATGX-UHFFFAOYSA-N 2 0 348.494 4.077 50 0 EIAARP Clc1ccccc1COc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000016578672 211914121 /nfs/dbraw/zinc/91/41/21/211914121.db2.gz NAEKNNOQBSANNQ-UHFFFAOYSA-N 2 0 344.886 4.008 50 0 EIAARP C[N@H+](CC1CC[NH+](CCc2ccc(F)cc2)CC1)C[C@H]1CC=CCC1 ZINC000012301617 211337404 /nfs/dbraw/zinc/33/74/04/211337404.db2.gz MHQJBGLWYMNCRC-FQEVSTJZSA-N 2 0 344.518 4.368 50 0 EIAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091494368 218014130 /nfs/dbraw/zinc/01/41/30/218014130.db2.gz IQOUMVXCXXPKLM-JOCHJYFZSA-N 2 0 349.522 4.173 50 0 EIAARP C[N@H+](Cc1cccs1)Cc1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000299777708 258087466 /nfs/dbraw/zinc/08/74/66/258087466.db2.gz FMRYILYFMIRHNM-SFHVURJKSA-N 2 0 344.524 4.291 50 0 EIAARP Cc1ccccc1Cn1cc(C[NH2+]CCC[NH+](C)C)c2ccccc21 ZINC000248014711 258072954 /nfs/dbraw/zinc/07/29/54/258072954.db2.gz QBEFFFTWTYGGGI-UHFFFAOYSA-N 2 0 335.495 4.039 50 0 EIAARP C[C@@H]1c2cccn2CCN1Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000952871749 1049679834 /nfs/dbraw/zinc/67/98/34/1049679834.db2.gz DDJPBZHCQBIOQC-MRXNPFEDSA-N 2 0 329.513 4.112 50 0 EIAARP CC(C)c1cc(C2CC[NH+](Cc3cccn3-c3cc[nH+]cc3)CC2)[nH]n1 ZINC000067884448 215241216 /nfs/dbraw/zinc/24/12/16/215241216.db2.gz RHKJYDXVOSTUMU-UHFFFAOYSA-N 2 0 349.482 4.098 50 0 EIAARP Clc1ccc(-c2csc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000245289831 563971899 /nfs/dbraw/zinc/97/18/99/563971899.db2.gz FKLACJKOWPDBLI-HOTGVXAUSA-N 2 0 347.915 4.180 50 0 EIAARP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000020306069 212117900 /nfs/dbraw/zinc/11/79/00/212117900.db2.gz JKSWTNVJFBWRJW-GFCCVEGCSA-N 2 0 333.339 4.111 50 0 EIAARP C[C@@H](c1ccc(C[N@H+](C)Cc2ccccc2C[NH+](C)C)cc1)[NH+](C)C ZINC000215201587 241112060 /nfs/dbraw/zinc/11/20/60/241112060.db2.gz LTEYKKQVMWWNRW-SFHVURJKSA-N 3 0 339.527 4.003 50 0 EIAARP C[N@H+](CC1CC[NH+](CCc2ccccc2F)CC1)C[C@H]1CC=CCC1 ZINC000012194423 211315104 /nfs/dbraw/zinc/31/51/04/211315104.db2.gz NQTLBBDMWXJRJB-IBGZPJMESA-N 2 0 344.518 4.368 50 0 EIAARP Clc1ccc(OCc2ccccc2)c(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000010434573 211172498 /nfs/dbraw/zinc/17/24/98/211172498.db2.gz FFPDZTPVCCPLAP-UHFFFAOYSA-N 2 0 344.886 4.008 50 0 EIAARP CC(C)CC[C@@]1(CC[NH2+]CCC[NH+](C)C)CCO[C@H](C(C)C)C1 ZINC000009530618 211099371 /nfs/dbraw/zinc/09/93/71/211099371.db2.gz QUDBQDYIZVMSGS-VQTJNVASSA-N 2 0 326.569 4.175 50 0 EIAARP C/C(=C\c1ccco1)C[N@H+](C)CC1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000014971203 563769010 /nfs/dbraw/zinc/76/90/10/563769010.db2.gz IUGQCJQXBDDKBQ-GHRIWEEISA-N 2 0 342.483 4.428 50 0 EIAARP Cc1ccc([C@@H](CC[NH2+]CCC[NH+](C)C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000005348423 564002971 /nfs/dbraw/zinc/00/29/71/564002971.db2.gz DJFIHPNECOPQER-NHCUHLMSSA-N 2 0 346.559 4.215 50 0 EIAARP Cc1cccc(Cn2cc(C[NH2+]CC3CC[NH2+]CC3)c3ccccc32)c1 ZINC000247931678 564052815 /nfs/dbraw/zinc/05/28/15/564052815.db2.gz QXPVGEMAXDASDU-UHFFFAOYSA-N 2 0 347.506 4.087 50 0 EIAARP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccs1 ZINC000248742703 564078196 /nfs/dbraw/zinc/07/81/96/564078196.db2.gz AIDCRVKUMDYKPU-KANFNMMFSA-N 2 0 341.524 4.032 50 0 EIAARP c1sc(C[N@@H+]2CCC[C@H]2c2cccnc2)cc1C[NH+]1CCCCC1 ZINC000820414276 1043855216 /nfs/dbraw/zinc/85/52/16/1043855216.db2.gz ZZWOYYBUIOKKNV-FQEVSTJZSA-N 2 0 341.524 4.466 50 0 EIAARP CC(C)[N@H+](C)C[C@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012387095 211364108 /nfs/dbraw/zinc/36/41/08/211364108.db2.gz DPTCKRFBBMMPDQ-QGZVFWFLSA-N 2 0 342.449 4.300 50 0 EIAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3cccc(F)c3)CC2)o1 ZINC000012200479 211319425 /nfs/dbraw/zinc/31/94/25/211319425.db2.gz UCLDRNUQURWYEV-UHFFFAOYSA-N 2 0 330.447 4.071 50 0 EIAARP CC(C)CC[C@]1(CC[NH2+]CCC[NH+](C)C)CCO[C@@H](C(C)C)C1 ZINC000009530619 211099713 /nfs/dbraw/zinc/09/97/13/211099713.db2.gz QUDBQDYIZVMSGS-UXHICEINSA-N 2 0 326.569 4.175 50 0 EIAARP CC[NH+]1CCC2(CC1)C[N@@H+](C1CCCCC1)Cc1ccccc1O2 ZINC000257193034 1022765026 /nfs/dbraw/zinc/76/50/26/1022765026.db2.gz RFDSWYHJMHGQBR-UHFFFAOYSA-N 2 0 328.500 4.068 50 0 EIAARP CC(C)[NH+]1CCC2(CC1)C[N@@H+](C1CCCCC1)Cc1ccccc1O2 ZINC000257194840 1022782757 /nfs/dbraw/zinc/78/27/57/1022782757.db2.gz UTNNOCMKKPRBCI-UHFFFAOYSA-N 2 0 342.527 4.457 50 0 EIAARP c1cc(-c2ccccn2)sc1C[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000063881607 1045271397 /nfs/dbraw/zinc/27/13/97/1045271397.db2.gz LAGZMBDMPJTICS-QFBILLFUSA-N 2 0 341.524 4.164 50 0 EIAARP c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1 ZINC000000967524 209695861 /nfs/dbraw/zinc/69/58/61/209695861.db2.gz LUAZZOXZPVVGSO-UHFFFAOYSA-N 2 0 338.454 4.025 50 0 in-vitro EIAARP Cc1cccnc1C[C@H](C)[N@H+](C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000215856146 241149918 /nfs/dbraw/zinc/14/99/18/241149918.db2.gz DZCQISWZTDPXBZ-KRWDZBQOSA-N 2 0 343.540 4.110 50 0 EIAARP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccs1 ZINC000248742709 564078189 /nfs/dbraw/zinc/07/81/89/564078189.db2.gz AIDCRVKUMDYKPU-OQIJWPOYSA-N 2 0 341.524 4.032 50 0 EIAARP Cc1ccc(C[NH+]2CCC(Cn3c(C)c[nH+]c3C3CCC3)CC2)o1 ZINC000575548721 1045258534 /nfs/dbraw/zinc/25/85/34/1045258534.db2.gz CXNDAMXQWAXAFU-UHFFFAOYSA-N 2 0 327.472 4.273 50 0 EIAARP C[C@H](c1ccc(C[N@H+](C)Cc2ccccc2C[NH+](C)C)cc1)[NH+](C)C ZINC000215201636 241111189 /nfs/dbraw/zinc/11/11/89/241111189.db2.gz LTEYKKQVMWWNRW-GOSISDBHSA-N 3 0 339.527 4.003 50 0 EIAARP C[NH+](C)CCCCCCC[NH2+]Cc1ccc(Br)s1 ZINC000170594584 564108987 /nfs/dbraw/zinc/10/89/87/564108987.db2.gz PEFBAQJRTSAOTA-UHFFFAOYSA-N 2 0 333.339 4.112 50 0 EIAARP C[NH+](C)Cc1cccc(C[NH2+]Cc2cnc(-c3ccccc3)s2)c1 ZINC000066971219 215100140 /nfs/dbraw/zinc/10/01/40/215100140.db2.gz ROPGKRYPFKXFGQ-UHFFFAOYSA-N 2 0 337.492 4.162 50 0 EIAARP CC(C)[N@H+](C)C[C@@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012387094 211365062 /nfs/dbraw/zinc/36/50/62/211365062.db2.gz DPTCKRFBBMMPDQ-KRWDZBQOSA-N 2 0 342.449 4.300 50 0 EIAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091494370 218013743 /nfs/dbraw/zinc/01/37/43/218013743.db2.gz IQOUMVXCXXPKLM-QFIPXVFZSA-N 2 0 349.522 4.173 50 0 EIAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccc(F)cc3F)CC2)o1 ZINC000014968816 563769167 /nfs/dbraw/zinc/76/91/67/563769167.db2.gz XBZLUAMMYLCJMH-UHFFFAOYSA-N 2 0 348.437 4.210 50 0 EIAARP C[C@H](c1ccc(-c2ccccc2OCC[NH+](C)C)cc1)[NH+]1CCCC1 ZINC000096140864 563979551 /nfs/dbraw/zinc/97/95/51/563979551.db2.gz JBGMAYYFEUHSQT-GOSISDBHSA-N 2 0 338.495 4.451 50 0 EIAARP Cc1ccc([C@H](CC[NH2+]CCC[NH+](C)C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000005348424 564002974 /nfs/dbraw/zinc/00/29/74/564002974.db2.gz DJFIHPNECOPQER-RTWAWAEBSA-N 2 0 346.559 4.215 50 0 EIAARP c1ccc2c(c1)ccc[n+]2CCCCC[n+]1cccc2ccccc21 ZINC000001668161 564118946 /nfs/dbraw/zinc/11/89/46/564118946.db2.gz PYAUTVAEUKAKHU-UHFFFAOYSA-N 2 0 328.459 4.439 50 0 EIAARP CCC(CC)[NH+]1CCC(CCn2c(C)c[nH+]c2C2CCOCC2)CC1 ZINC000257193853 1036604194 /nfs/dbraw/zinc/60/41/94/1036604194.db2.gz ZXTXEECQKUWSNS-UHFFFAOYSA-N 2 0 347.547 4.376 50 0 EIAARP COc1c(C)cc([C@@H](C)NC2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000796979568 1041102228 /nfs/dbraw/zinc/10/22/28/1041102228.db2.gz GRBIJXOORNHALS-ODIFPOPNSA-N 2 0 336.907 4.325 50 0 EIAARP Cc1cc2ccccc2c[n+]1CCC[n+]1cc2ccccc2cc1C ZINC000001668749 209778877 /nfs/dbraw/zinc/77/88/77/209778877.db2.gz MNCOEKAQWWNOIP-UHFFFAOYSA-N 2 0 328.459 4.275 50 0 EIAARP c1cncc(C[N@H+](CC2CC2)C[C@@H]2CCC[NH+](C3CCCCC3)C2)c1 ZINC000012320875 211345991 /nfs/dbraw/zinc/34/59/91/211345991.db2.gz SFPJFERMKJCDCN-NRFANRHFSA-N 2 0 341.543 4.338 50 0 EIAARP Clc1ccc(Cl)c(-c2ccc(C[NH2+]CC3CC[NH2+]CC3)o2)c1 ZINC000010434738 211173204 /nfs/dbraw/zinc/17/32/04/211173204.db2.gz RVMKVUKWVVZNHI-UHFFFAOYSA-N 2 0 339.266 4.343 50 0 EIAARP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000152118840 564079711 /nfs/dbraw/zinc/07/97/11/564079711.db2.gz XIZPBVIJTKQLJC-QFIPXVFZSA-N 2 0 347.462 4.107 50 0 EIAARP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCc3sc(Cl)cc32)cc1F ZINC000090920044 564087026 /nfs/dbraw/zinc/08/70/26/564087026.db2.gz DWHNKKNUAYHWKW-HNNXBMFYSA-N 2 0 338.879 4.379 50 0 EIAARP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)c(C)c1C ZINC000011946388 1043742965 /nfs/dbraw/zinc/74/29/65/1043742965.db2.gz BWVVGCBBIBNRCN-JOCHJYFZSA-N 2 0 342.527 4.010 50 0 EIAARP C[NH2+]CCC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000247948144 564052807 /nfs/dbraw/zinc/05/28/07/564052807.db2.gz BJWAOVLEEHECLV-UHFFFAOYSA-N 2 0 341.886 4.042 50 0 EIAARP Cc1cccc(Cn2cc(C[NH2+]CCC[NH+](C)C)c3ccccc32)c1 ZINC000247949569 564052829 /nfs/dbraw/zinc/05/28/29/564052829.db2.gz BSGUQIZVFWEGHN-UHFFFAOYSA-N 2 0 335.495 4.039 50 0 EIAARP CSCC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)s2)CC1 ZINC000252482362 564053364 /nfs/dbraw/zinc/05/33/64/564053364.db2.gz DDTZFFHTDQXLQY-UHFFFAOYSA-N 2 0 338.586 4.309 50 0 EIAARP c1sc(C[NH+]2CCC(c3ccncc3)CC2)cc1C[NH+]1CCCC1 ZINC000214970980 241100450 /nfs/dbraw/zinc/10/04/50/241100450.db2.gz DWTCGBOBLGOOAD-UHFFFAOYSA-N 2 0 341.524 4.119 50 0 EIAARP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012203127 211320507 /nfs/dbraw/zinc/32/05/07/211320507.db2.gz OEELFBOPXJXLPM-UHFFFAOYSA-N 2 0 340.486 4.212 50 0 EIAARP c1nc(C2CCC2)sc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000095415396 218352912 /nfs/dbraw/zinc/35/29/12/218352912.db2.gz SRAHKXWWFIXZOT-UHFFFAOYSA-N 2 0 341.524 4.296 50 0 EIAARP Cc1ccc([C@H](CC[NH2+]CCC[NH+](C)C)[C@H]2CCOC(C)(C)C2)cc1 ZINC000005348427 564002987 /nfs/dbraw/zinc/00/29/87/564002987.db2.gz DJFIHPNECOPQER-SFTDATJTSA-N 2 0 346.559 4.215 50 0 EIAARP [NH2+]=C1c2ccccc2CN1c1ccc(N2Cc3ccccc3C2=[NH2+])cc1 ZINC000003173528 564155640 /nfs/dbraw/zinc/15/56/40/564155640.db2.gz TYLCQPNHELCHTL-UHFFFAOYSA-N 2 0 338.414 4.378 50 0 EIAARP C[C@@H](c1cccc(C[N@H+](C)Cc2ccc3ncccc3c2)c1)[NH+](C)C ZINC000952982215 1049688183 /nfs/dbraw/zinc/68/81/83/1049688183.db2.gz FWILUOXNATZCFM-KRWDZBQOSA-N 2 0 333.479 4.489 50 0 EIAARP C[N@H+](CC1CC[NH+](CCc2cccc(F)c2)CC1)C[C@@H]1CC=CCC1 ZINC000012430186 211377996 /nfs/dbraw/zinc/37/79/96/211377996.db2.gz MYRYIPXWTXOKGR-HXUWFJFHSA-N 2 0 344.518 4.368 50 0 EIAARP Clc1ccc(-c2csc(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000245289830 563971863 /nfs/dbraw/zinc/97/18/63/563971863.db2.gz FKLACJKOWPDBLI-CVEARBPZSA-N 2 0 347.915 4.180 50 0 EIAARP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccs1 ZINC000248742698 564078207 /nfs/dbraw/zinc/07/82/07/564078207.db2.gz AIDCRVKUMDYKPU-DSLXNQLJSA-N 2 0 341.524 4.032 50 0 EIAARP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccs1 ZINC000248742714 564078220 /nfs/dbraw/zinc/07/82/20/564078220.db2.gz AIDCRVKUMDYKPU-OWYHZJEWSA-N 2 0 341.524 4.032 50 0 EIAARP Cc1n[nH]c(CN2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1Cl ZINC000952979768 1049686234 /nfs/dbraw/zinc/68/62/34/1049686234.db2.gz FRQWORBTIWDBJG-SFHVURJKSA-N 2 0 346.906 4.160 50 0 EIAARP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3F)o2)cc1 ZINC000012567184 564059741 /nfs/dbraw/zinc/05/97/41/564059741.db2.gz SNKMYLVPFDRBJG-UHFFFAOYSA-N 2 0 338.426 4.437 50 0 EIAARP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)s1 ZINC000120829689 564059802 /nfs/dbraw/zinc/05/98/02/564059802.db2.gz ILXZLPJQJPNHQB-GFCCVEGCSA-N 2 0 335.492 4.065 50 0 EIAARP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@H](C)C1 ZINC000095967986 564143115 /nfs/dbraw/zinc/14/31/15/564143115.db2.gz JKNMKSPSELCWLY-VQIMIIECSA-N 2 0 348.494 4.050 50 0 EIAARP c1sc(C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1C[NH+]1CCCCC1 ZINC000820414279 1043854912 /nfs/dbraw/zinc/85/49/12/1043854912.db2.gz ZZWOYYBUIOKKNV-HXUWFJFHSA-N 2 0 341.524 4.466 50 0 EIAARP c1ccc(C[NH+]2CCC(Cc3ccc(C[NH+]4CCCC4)cc3)CC2)nc1 ZINC000581810059 1060021175 /nfs/dbraw/zinc/02/11/75/1060021175.db2.gz KVFZVJSITYQCLB-UHFFFAOYSA-N 2 0 349.522 4.132 50 0 EIAARP c1ccc([C@@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)c2ccncc2)cc1 ZINC000067854802 215231984 /nfs/dbraw/zinc/23/19/84/215231984.db2.gz DVSQIXQVCROMIX-OAQYLSRUSA-N 2 0 335.495 4.073 50 0 EIAARP C[N@H+]1CC=C(c2ccc(OC[C@@H]3CCC[NH+]4CCCC[C@H]34)cc2)CC1 ZINC000072159047 216048018 /nfs/dbraw/zinc/04/80/18/216048018.db2.gz NGARRNMYIMZARM-RBBKRZOGSA-N 2 0 340.511 4.049 50 0 EIAARP C[N@H+](CC1CC[NH+](CCc2ccccc2F)CC1)C[C@@H]1CC=CCC1 ZINC000012194429 211316041 /nfs/dbraw/zinc/31/60/41/211316041.db2.gz NQTLBBDMWXJRJB-LJQANCHMSA-N 2 0 344.518 4.368 50 0 EIAARP Clc1ccc(COc2ccccc2C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000010434544 211172658 /nfs/dbraw/zinc/17/26/58/211172658.db2.gz HPBPXCFUMLDGGG-UHFFFAOYSA-N 2 0 344.886 4.008 50 0 EIAARP FC(F)(F)c1cccc(-c2ccc(C[NH2+]CC3CC[NH2+]CC3)o2)c1 ZINC000010434540 211172707 /nfs/dbraw/zinc/17/27/07/211172707.db2.gz DOCSKHCYVWRZOO-UHFFFAOYSA-N 2 0 338.373 4.055 50 0 EIAARP CSC[C@H](C)[NH+](C)Cc1cccc(C[N@@H+](C)[C@@H](C)CSC)c1 ZINC000072290427 563908902 /nfs/dbraw/zinc/90/89/02/563908902.db2.gz QTDYXQVFJCIBQA-HOTGVXAUSA-N 2 0 340.602 4.053 50 0 EIAARP CC(C)Oc1ccc([C@H](NC2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000013685499 563931808 /nfs/dbraw/zinc/93/18/08/563931808.db2.gz TWODAZQSOLGALR-JOCHJYFZSA-N 2 0 338.495 4.247 50 0 EIAARP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)ccc1SC(F)F ZINC000096477139 563955023 /nfs/dbraw/zinc/95/50/23/563955023.db2.gz NMBQORSKCCAKOU-GFCCVEGCSA-N 2 0 344.471 4.002 50 0 EIAARP Cc1ccc(Cn2cc(C[NH2+]CCC[NH+](C)C)c3ccccc32)cc1 ZINC000248031837 564052915 /nfs/dbraw/zinc/05/29/15/564052915.db2.gz TYMJMCRUBVNDTI-UHFFFAOYSA-N 2 0 335.495 4.039 50 0 EIAARP Cc1ccc(C[NH+]2CCC(C[N@H+](C)CCCc3ccccc3)CC2)o1 ZINC000012073521 211286860 /nfs/dbraw/zinc/28/68/60/211286860.db2.gz QETSFJBHTFFGFS-UHFFFAOYSA-N 2 0 340.511 4.365 50 0 EIAARP CSC[C@@H](C)[N@H+](C)Cc1cccc(C[NH+](C)[C@@H](C)CSC)c1 ZINC000072290428 563908890 /nfs/dbraw/zinc/90/88/90/563908890.db2.gz QTDYXQVFJCIBQA-IYBDPMFKSA-N 2 0 340.602 4.053 50 0 EIAARP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCc3sc(Cl)cc32)cc1F ZINC000090920043 564086961 /nfs/dbraw/zinc/08/69/61/564086961.db2.gz DWHNKKNUAYHWKW-OAHLLOKOSA-N 2 0 338.879 4.379 50 0 EIAARP Cc1c(C[N@@H+](C)Cc2cc(C[NH+](C)C)cs2)[nH]c2ccccc12 ZINC000097674472 219045748 /nfs/dbraw/zinc/04/57/48/219045748.db2.gz MJMYOTIVQZIGNH-UHFFFAOYSA-N 2 0 327.497 4.231 50 0 EIAARP Cc1cccnc1C[C@@H](C)[N@H+](C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000215856105 241149440 /nfs/dbraw/zinc/14/94/40/241149440.db2.gz DZCQISWZTDPXBZ-QGZVFWFLSA-N 2 0 343.540 4.110 50 0 EIAARP c1cncc(C[N@H+](CC2CC2)C[C@H]2CCC[NH+](C3CCCCC3)C2)c1 ZINC000012320876 211346144 /nfs/dbraw/zinc/34/61/44/211346144.db2.gz SFPJFERMKJCDCN-OAQYLSRUSA-N 2 0 341.543 4.338 50 0 EIAARP Cc1ccc(C[NH+]2CCC(C[N@H+](C)C/C=C/c3ccccc3)CC2)o1 ZINC000015068489 563775508 /nfs/dbraw/zinc/77/55/08/563775508.db2.gz BAQBMSFOVWVWJB-RMKNXTFCSA-N 2 0 338.495 4.445 50 0 EIAARP Cc1ccc(Cn2cc(C[NH2+]CC3CC[NH2+]CC3)c3ccccc32)cc1 ZINC000248108815 564052964 /nfs/dbraw/zinc/05/29/64/564052964.db2.gz QBKIKAKWGQMSGO-UHFFFAOYSA-N 2 0 347.506 4.087 50 0 EIAARP C[Si]([NH2+]C1CCCCC1)([NH2+]C1CCCCC1)[NH2+]C1CCCCC1 ZINC000169794646 1032527894 /nfs/dbraw/zinc/52/78/94/1032527894.db2.gz HDNXAGOHLKHJOA-UHFFFAOYSA-N 3 0 337.628 4.322 50 0 EIAARP c1cncc(C[NH+]2CCC(Cc3ccc(C[NH+]4CCCC4)cc3)CC2)c1 ZINC000581810060 1060022098 /nfs/dbraw/zinc/02/20/98/1060022098.db2.gz KZAXCFMKICODPQ-UHFFFAOYSA-N 2 0 349.522 4.132 50 0 EIAARP COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(C[NH+](C)C)cs2)c1 ZINC000215409132 241123311 /nfs/dbraw/zinc/12/33/11/241123311.db2.gz WGYRJHAHDNXZBT-LJQANCHMSA-N 2 0 330.497 4.155 50 0 EIAARP CC[N@H+](CCCSC)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000011879638 211264764 /nfs/dbraw/zinc/26/47/64/211264764.db2.gz BVSPOJOXIOOBAF-UHFFFAOYSA-N 2 0 348.600 4.325 50 0 EIAARP Clc1ccc(COc2ccc(C[NH2+]CC3CC[NH2+]CC3)cc2)cc1 ZINC000010434550 211173074 /nfs/dbraw/zinc/17/30/74/211173074.db2.gz JTIFPSGKVSJEHY-UHFFFAOYSA-N 2 0 344.886 4.008 50 0 EIAARP Cc1ccc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)o1 ZINC000014977638 563770064 /nfs/dbraw/zinc/77/00/64/563770064.db2.gz GJJXRNKKPORURF-UHFFFAOYSA-N 2 0 344.474 4.114 50 0 EIAARP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)s1 ZINC000120829854 564059806 /nfs/dbraw/zinc/05/98/06/564059806.db2.gz ILXZLPJQJPNHQB-LBPRGKRZSA-N 2 0 335.492 4.065 50 0 EIAARP CC(C)[NH+]1CCC2(CC1)C[N@@H+](C1CCCC1)Cc1ccccc1O2 ZINC000257186643 1022701300 /nfs/dbraw/zinc/70/13/00/1022701300.db2.gz KQLDZAIUMRAGEE-UHFFFAOYSA-N 2 0 328.500 4.067 50 0 EIAARP COc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000194908295 1031639811 /nfs/dbraw/zinc/63/98/11/1031639811.db2.gz PKYFFCBEYRDSTJ-HXUWFJFHSA-N 2 0 328.500 4.069 50 0 EIAARP COc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000194908282 1031640539 /nfs/dbraw/zinc/64/05/39/1031640539.db2.gz PKYFFCBEYRDSTJ-FQEVSTJZSA-N 2 0 328.500 4.069 50 0 EIAARP C[C@H]1c2cccn2CCN1Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000952871748 1049678701 /nfs/dbraw/zinc/67/87/01/1049678701.db2.gz DDJPBZHCQBIOQC-INIZCTEOSA-N 2 0 329.513 4.112 50 0 EIAARP C[NH+](C)Cc1ccc(C[NH2+]Cc2cnc(-c3ccccc3)s2)cc1 ZINC000066970277 215100555 /nfs/dbraw/zinc/10/05/55/215100555.db2.gz OTURNUWSXIWBFL-UHFFFAOYSA-N 2 0 337.492 4.162 50 0 EIAARP c1ccc([C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)c2ccncc2)cc1 ZINC000067854800 215230906 /nfs/dbraw/zinc/23/09/06/215230906.db2.gz DVSQIXQVCROMIX-NRFANRHFSA-N 2 0 335.495 4.073 50 0 EIAARP Cc1ncsc1CC[N@@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000216318486 241183169 /nfs/dbraw/zinc/18/31/69/241183169.db2.gz XRMFHFMRMVDKJJ-UHFFFAOYSA-N 2 0 349.569 4.173 50 0 EIAARP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)CC3CCCC3)C2)cc1 ZINC000011878842 211262546 /nfs/dbraw/zinc/26/25/46/211262546.db2.gz AKADMUNWSXYXGU-OAQYLSRUSA-N 2 0 344.543 4.072 50 0 EIAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ccccn3)CC2)C1 ZINC000091831113 218072557 /nfs/dbraw/zinc/07/25/57/218072557.db2.gz RCXOWMCGOXKXPG-NRFANRHFSA-N 2 0 349.522 4.173 50 0 EIAARP COc1ccc(C2=CC[N@H+](Cc3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000061107027 563993136 /nfs/dbraw/zinc/99/31/36/563993136.db2.gz NEGPHEKXVLHCSX-UHFFFAOYSA-N 2 0 345.446 4.170 50 0 EIAARP Cc1ccc([C@@H](CC[NH2+]CCC[NH+](C)C)[C@H]2CCOC(C)(C)C2)cc1 ZINC000005348426 564002999 /nfs/dbraw/zinc/00/29/99/564002999.db2.gz DJFIHPNECOPQER-LEWJYISDSA-N 2 0 346.559 4.215 50 0 EIAARP C[C@H]1C[C@H](CC[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C[C@@H](C)C1 ZINC000242339205 564088504 /nfs/dbraw/zinc/08/85/04/564088504.db2.gz ZFWGKUIBXXMISA-BWTSREIZSA-N 2 0 336.564 4.024 50 0 EIAARP C[NH+](C)C1(CNCc2ccc(C[NH+]3CCCCC3)s2)CCCCC1 ZINC000952967706 1049689242 /nfs/dbraw/zinc/68/92/42/1049689242.db2.gz BOOZZMBHNGNBFD-UHFFFAOYSA-N 2 0 349.588 4.088 50 0 EIAARP C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000023280949 564036065 /nfs/dbraw/zinc/03/60/65/564036065.db2.gz FFGNWUUJSNHHRM-KRWDZBQOSA-N 2 0 326.459 4.011 50 0 EIAARP