smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1ccco1)c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2O)s1 ZINC000019795140 570219832 /nfs/dbraw/zinc/21/98/32/570219832.db2.gz XBOOBTDCWWKXRD-QGZVFWFLSA-N 1 1 382.485 4.314 50 10 GICAMO CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349270 570343543 /nfs/dbraw/zinc/34/35/43/570343543.db2.gz VNSLFONONWXYIM-JOCHJYFZSA-N 1 1 379.548 4.014 50 10 GICAMO COc1cc(OC)c(C2=CC[N@@H+](Cc3cc4c(cc3O)CCC4)CC2)c(OC)c1 ZINC000032869452 570864435 /nfs/dbraw/zinc/86/44/35/570864435.db2.gz ULTSNPHURZRVGZ-UHFFFAOYSA-N 1 1 395.499 4.196 50 10 GICAMO COc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1O ZINC000004982718 817544302 /nfs/dbraw/zinc/54/43/02/817544302.db2.gz UYUPNFCBGNOAPH-INIZCTEOSA-N 1 1 377.282 4.286 50 10 GICAMO COc1cc(Br)cc(C[N@H+]2CCCC[C@H]2c2cccnc2)c1O ZINC000004982718 817544310 /nfs/dbraw/zinc/54/43/10/817544310.db2.gz UYUPNFCBGNOAPH-INIZCTEOSA-N 1 1 377.282 4.286 50 10 GICAMO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000003394625 204004350 /nfs/dbraw/zinc/00/43/50/204004350.db2.gz RGFCWQWKWVGKDB-FQEVSTJZSA-N 1 1 381.472 4.044 50 10 GICAMO C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000009338713 204307401 /nfs/dbraw/zinc/30/74/01/204307401.db2.gz NACHFRASRNYHET-UHFFFAOYSA-N 1 1 395.551 4.059 50 10 GICAMO C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000009338713 204307406 /nfs/dbraw/zinc/30/74/06/204307406.db2.gz NACHFRASRNYHET-UHFFFAOYSA-N 1 1 395.551 4.059 50 10 GICAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c(OC)c1 ZINC000012074793 221148879 /nfs/dbraw/zinc/14/88/79/221148879.db2.gz SKSCJXHJCNFGIP-CQSZACIVSA-N 1 1 389.879 4.158 50 10 GICAMO O=C(NCc1ccco1)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2O)s1 ZINC000019795141 570219849 /nfs/dbraw/zinc/21/98/49/570219849.db2.gz XBOOBTDCWWKXRD-KRWDZBQOSA-N 1 1 382.485 4.314 50 10 GICAMO CC[NH+](CC)Cc1c2c(ccc1O)c([N+](=O)[O-])c(C)n2-c1ccc(OC)cc1 ZINC000000977912 570232916 /nfs/dbraw/zinc/23/29/16/570232916.db2.gz LDACRTGBIXQUOU-UHFFFAOYSA-N 1 1 383.448 4.403 50 10 GICAMO CC[N@@H+](Cc1cc(Br)ccc1O)Cc1cc([N+](=O)[O-])ccc1OC ZINC000072305017 570515113 /nfs/dbraw/zinc/51/51/13/570515113.db2.gz ZGVWDUSOCKXRPE-UHFFFAOYSA-N 1 1 395.253 4.094 50 10 GICAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000003336856 817438781 /nfs/dbraw/zinc/43/87/81/817438781.db2.gz JJBBFGQVUKCGPB-CQSZACIVSA-N 1 1 392.293 4.083 50 10 GICAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc([N+](=O)[O-])c2)c1O ZINC000036347328 205012380 /nfs/dbraw/zinc/01/23/80/205012380.db2.gz SFTYWZCLBVSTNK-NRFANRHFSA-N 1 1 393.443 4.106 50 10 GICAMO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2O)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000011815166 221127946 /nfs/dbraw/zinc/12/79/46/221127946.db2.gz ONQKFNUCNPUCEH-QGZVFWFLSA-N 1 1 398.934 4.106 50 10 GICAMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(C)c2)C1 ZINC000023129281 570345426 /nfs/dbraw/zinc/34/54/26/570345426.db2.gz WCEOZVIWMDBXSM-GOSISDBHSA-N 1 1 377.488 4.479 50 10 GICAMO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccccc3C)C2)c1O ZINC000014998863 570870885 /nfs/dbraw/zinc/87/08/85/570870885.db2.gz QOBNKXUNEVORAN-QGZVFWFLSA-N 1 1 377.488 4.479 50 10 GICAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c(O)c1 ZINC000015079988 570879484 /nfs/dbraw/zinc/87/94/84/570879484.db2.gz DLMKCZLQNXUSMD-GOSISDBHSA-N 1 1 383.488 4.121 50 10 GICAMO Cc1cccc(C)c1OC[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000003394621 204003912 /nfs/dbraw/zinc/00/39/12/204003912.db2.gz RGFCWQWKWVGKDB-HXUWFJFHSA-N 1 1 381.472 4.044 50 10 GICAMO COc1ccc(OC)c(C(=O)c2coc3ccc(O)c(C[NH+]4CCCCC4)c23)c1 ZINC000001061860 570239433 /nfs/dbraw/zinc/23/94/33/570239433.db2.gz DIGFTJQVGUPEGD-UHFFFAOYSA-N 1 1 395.455 4.373 50 10 GICAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C)c3)C2)c1 ZINC000020209667 570247917 /nfs/dbraw/zinc/24/79/17/570247917.db2.gz YDHZMCLGIIYZFT-GOSISDBHSA-N 1 1 377.488 4.479 50 10 GICAMO Cc1cc(C(=O)CO[C@H](C)Cc2[nH]cc[nH+]2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000089578084 570494506 /nfs/dbraw/zinc/49/45/06/570494506.db2.gz ZOJWMCRVSLKTGJ-CYBMUJFWSA-N 1 1 389.858 4.440 50 10 GICAMO Cc1nn(-c2ccccc2)c2c1C[NH2+][C@@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000020865086 818634727 /nfs/dbraw/zinc/63/47/27/818634727.db2.gz HHGMPMMOYFQYHR-QHCPKHFHSA-N 1 1 383.499 4.230 50 10 GICAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(O)c1 ZINC000042628384 205080934 /nfs/dbraw/zinc/08/09/34/205080934.db2.gz XFDNDASNWQONQZ-OAHLLOKOSA-N 1 1 399.441 4.449 50 10 GICAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](CCCC4CCCC4)C3)CC2)cc1 ZINC000020135824 570242127 /nfs/dbraw/zinc/24/21/27/570242127.db2.gz IXJCYQJFJJOVBE-QHCPKHFHSA-N 1 1 385.596 4.252 50 10 GICAMO COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4cccc(Cl)c4)C3)CC2)cc1 ZINC000019595697 571021121 /nfs/dbraw/zinc/02/11/21/571021121.db2.gz RNXRAHGYDSVEBT-JOCHJYFZSA-N 1 1 399.966 4.135 50 10 GICAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4cccc(Cl)c4)C3)CC2)cc1 ZINC000019595697 571021126 /nfs/dbraw/zinc/02/11/26/571021126.db2.gz RNXRAHGYDSVEBT-JOCHJYFZSA-N 1 1 399.966 4.135 50 10 GICAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 ZINC000012314003 204395497 /nfs/dbraw/zinc/39/54/97/204395497.db2.gz IFHGWEIKJKEKSU-SFHVURJKSA-N 1 1 383.488 4.283 50 10 GICAMO CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349244 570343478 /nfs/dbraw/zinc/34/34/78/570343478.db2.gz WXPYUNLFLYASGM-HSZRJFAPSA-N 1 1 393.575 4.404 50 10 GICAMO COc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c1O ZINC000043004853 570624985 /nfs/dbraw/zinc/62/49/85/570624985.db2.gz YMRMUTGUPDBWHH-AWEZNQCLSA-N 1 1 399.441 4.449 50 10 GICAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 ZINC000012314002 204396013 /nfs/dbraw/zinc/39/60/13/204396013.db2.gz IFHGWEIKJKEKSU-GOSISDBHSA-N 1 1 383.488 4.283 50 10 GICAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c(OC)c1 ZINC000012074794 221148728 /nfs/dbraw/zinc/14/87/28/221148728.db2.gz SKSCJXHJCNFGIP-AWEZNQCLSA-N 1 1 389.879 4.158 50 10 GICAMO Oc1c(C[NH+]2CCN(c3ncccn3)CC2)cc(Cl)cc1C1CCCCC1 ZINC000048289561 570228269 /nfs/dbraw/zinc/22/82/69/570228269.db2.gz BTSBKZVUWATIKZ-UHFFFAOYSA-N 1 1 386.927 4.206 50 10 GICAMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000029886847 570481706 /nfs/dbraw/zinc/48/17/06/570481706.db2.gz ARDYANRFYCWXIA-NRFANRHFSA-N 1 1 395.430 4.045 50 10 GICAMO Oc1cc2c(cc1C[N@H+]1CCCN(c3ccc(C(F)(F)F)cn3)CC1)CCC2 ZINC000032784162 570809062 /nfs/dbraw/zinc/80/90/62/570809062.db2.gz JWOAOXBODXTWCO-UHFFFAOYSA-N 1 1 391.437 4.007 50 10 GICAMO COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)c1O ZINC000004982716 817544223 /nfs/dbraw/zinc/54/42/23/817544223.db2.gz UYUPNFCBGNOAPH-MRXNPFEDSA-N 1 1 377.282 4.286 50 10 GICAMO COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2c2cccnc2)c1O ZINC000004982716 817544230 /nfs/dbraw/zinc/54/42/30/817544230.db2.gz UYUPNFCBGNOAPH-MRXNPFEDSA-N 1 1 377.282 4.286 50 10 GICAMO CCc1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 ZINC000023374965 207276605 /nfs/dbraw/zinc/27/66/05/207276605.db2.gz IUGXVXFQTKEWPQ-XMMPIXPASA-N 1 1 393.575 4.044 50 10 GICAMO CCc1ccc(CN2CCC[C@@H]([NH+]3CCN(c4ccc(OC)cc4)CC3)C2)cc1 ZINC000023374965 207276609 /nfs/dbraw/zinc/27/66/09/207276609.db2.gz IUGXVXFQTKEWPQ-XMMPIXPASA-N 1 1 393.575 4.044 50 10 GICAMO COc1ccc(N2CC[NH+](Cc3cc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000025049613 207301226 /nfs/dbraw/zinc/30/12/26/207301226.db2.gz GFQYWUIHIRPMSX-UHFFFAOYSA-N 1 1 383.879 4.326 50 10 GICAMO Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C[N@@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524731200 570765977 /nfs/dbraw/zinc/76/59/77/570765977.db2.gz NOTPYNFNJCRKTB-AZUAARDMSA-N 1 1 398.547 4.120 50 10 GICAMO Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C[NH+](C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524731200 570765982 /nfs/dbraw/zinc/76/59/82/570765982.db2.gz NOTPYNFNJCRKTB-AZUAARDMSA-N 1 1 398.547 4.120 50 10 GICAMO CCN(CC)c1ccc(/C=C2/SC(=S)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000019335853 207117049 /nfs/dbraw/zinc/11/70/49/207117049.db2.gz ZBHAUOMSPWHVJG-NBVRZTHBSA-N 1 1 389.590 4.177 50 10 GICAMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2cc(F)ccc2F)C1 ZINC000019883997 207168852 /nfs/dbraw/zinc/16/88/52/207168852.db2.gz USFDIEFKOZMNLZ-CQSZACIVSA-N 1 1 399.441 4.449 50 10 GICAMO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1O ZINC000020913929 207219958 /nfs/dbraw/zinc/21/99/58/207219958.db2.gz SAXLFVBYSWLVEW-MRXNPFEDSA-N 1 1 381.451 4.310 50 10 GICAMO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000020917149 207220093 /nfs/dbraw/zinc/22/00/93/207220093.db2.gz CAVSDUXJWACSPD-IBGZPJMESA-N 1 1 394.544 4.193 50 10 GICAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349267 570343313 /nfs/dbraw/zinc/34/33/13/570343313.db2.gz LQLIPMBUNJXTPY-RUZDIDTESA-N 1 1 399.538 4.282 50 10 GICAMO C[C@H]1CCCC[N@H+]1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O ZINC000253429246 570483216 /nfs/dbraw/zinc/48/32/16/570483216.db2.gz SPIZHCQKQXSADI-MAUKXSAKSA-N 1 1 383.517 4.006 50 10 GICAMO CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3OC)C2)c1O ZINC000012573243 570681895 /nfs/dbraw/zinc/68/18/95/570681895.db2.gz SCXFMSMUQOAPRB-OAHLLOKOSA-N 1 1 387.451 4.034 50 10 GICAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(-c3cccnc3)ccc1O)CC2 ZINC000015069855 570877023 /nfs/dbraw/zinc/87/70/23/570877023.db2.gz QTYKUEWUKVPFAB-UHFFFAOYSA-N 1 1 376.456 4.030 50 10 GICAMO COc1ccc(OC)c(-c2ccc(O)c(C[N@@H+](C)C[C@@H](O)c3ccccc3)c2)c1 ZINC000020452460 818622018 /nfs/dbraw/zinc/62/20/18/818622018.db2.gz YBUHBNCQKWAIJO-HSZRJFAPSA-N 1 1 393.483 4.242 50 10 GICAMO Oc1c([C@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCOCC2)ccc2cccnc21 ZINC000019680916 207149461 /nfs/dbraw/zinc/14/94/61/207149461.db2.gz HCJRDVCEUFLOHP-IBGZPJMESA-N 1 1 388.389 4.381 50 10 GICAMO CC[NH+]1CCN(c2cc(NC(C)C)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000006737932 570562144 /nfs/dbraw/zinc/56/21/44/570562144.db2.gz LMQACHNCFWPXBZ-UHFFFAOYSA-N 1 1 390.487 4.001 50 10 GICAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)c1O ZINC000036347783 570630322 /nfs/dbraw/zinc/63/03/22/570630322.db2.gz MWJVSUDEUKQGSN-NRFANRHFSA-N 1 1 393.443 4.106 50 10 GICAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)c1O ZINC000036347784 570630483 /nfs/dbraw/zinc/63/04/83/570630483.db2.gz MWJVSUDEUKQGSN-OAQYLSRUSA-N 1 1 393.443 4.106 50 10 GICAMO Cc1nn(-c2ccccc2)c2c1C[NH2+][C@H](c1ccc(N(C)C)cc1)c1cccn1-2 ZINC000020865090 207216043 /nfs/dbraw/zinc/21/60/43/207216043.db2.gz HHGMPMMOYFQYHR-HSZRJFAPSA-N 1 1 383.499 4.230 50 10 GICAMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2F)C1 ZINC000042881850 570623635 /nfs/dbraw/zinc/62/36/35/570623635.db2.gz SWZLORILIDLIER-CQSZACIVSA-N 1 1 399.441 4.449 50 10 GICAMO COc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(F)c(F)c2)c1O ZINC000036348674 570631025 /nfs/dbraw/zinc/63/10/25/570631025.db2.gz JZRNRQPWRJPEMV-NRFANRHFSA-N 1 1 384.426 4.476 50 10 GICAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(F)c(F)c2)c1O ZINC000036348674 570631027 /nfs/dbraw/zinc/63/10/27/570631027.db2.gz JZRNRQPWRJPEMV-NRFANRHFSA-N 1 1 384.426 4.476 50 10 GICAMO CCc1cc(=O)oc2c(C)c([O-])c(C[N@@H+](C)C[C@@H]3CCC[NH+]4CCCC[C@H]34)cc12 ZINC000524730568 570765099 /nfs/dbraw/zinc/76/50/99/570765099.db2.gz NMRPWGZCNJVZND-GHTZIAJQSA-N 1 1 398.547 4.066 50 10 GICAMO Cc1cc(O)c(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C ZINC000016875791 570934359 /nfs/dbraw/zinc/93/43/59/570934359.db2.gz VATQUZOBHQWHSI-UHFFFAOYSA-N 1 1 379.426 4.135 50 10 GICAMO COc1ccc(OC)c(-c2ccc(O)c(C[N@@H+](C)C[C@H](O)c3ccccc3)c2)c1 ZINC000020452462 818622236 /nfs/dbraw/zinc/62/22/36/818622236.db2.gz YBUHBNCQKWAIJO-QHCPKHFHSA-N 1 1 393.483 4.242 50 10 GICAMO O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1C[NH+]1CCCCC1 ZINC000019607818 207144060 /nfs/dbraw/zinc/14/40/60/207144060.db2.gz CLRRTMYFBOKORA-GXDHUFHOSA-N 1 1 397.363 4.094 50 10 GICAMO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2nnc(C(C)C)n2C)cc1 ZINC000096003719 208251742 /nfs/dbraw/zinc/25/17/42/208251742.db2.gz ZPQUMDQQWOAKSL-UHFFFAOYSA-N 1 1 377.536 4.255 50 10 GICAMO CC(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035349260 570343560 /nfs/dbraw/zinc/34/35/60/570343560.db2.gz XWHXIOWYEUXYLC-HSZRJFAPSA-N 1 1 379.548 4.014 50 10 GICAMO COc1cccc(O)c1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2F)C1 ZINC000042881846 570623490 /nfs/dbraw/zinc/62/34/90/570623490.db2.gz SWZLORILIDLIER-AWEZNQCLSA-N 1 1 399.441 4.449 50 10 GICAMO COc1cccc(C[N@H+]2CC[C@H](c3ccnc(-c4cccc(O)c4)c3)C2)c1O ZINC000065433039 570768370 /nfs/dbraw/zinc/76/83/70/570768370.db2.gz FDAFHBXPNXXSBJ-SFHVURJKSA-N 1 1 376.456 4.158 50 10 GICAMO COc1cccc(CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)c1O ZINC000012210602 818146616 /nfs/dbraw/zinc/14/66/16/818146616.db2.gz ILNFSIQPUIQDRS-HXUWFJFHSA-N 1 1 382.548 4.096 50 10 GICAMO COc1cccc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)c1O ZINC000012210602 818146620 /nfs/dbraw/zinc/14/66/20/818146620.db2.gz ILNFSIQPUIQDRS-HXUWFJFHSA-N 1 1 382.548 4.096 50 10 GICAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(C)cc3)C2)c1 ZINC000020211929 818616865 /nfs/dbraw/zinc/61/68/65/818616865.db2.gz XFGSFLREBYKFNA-GOSISDBHSA-N 1 1 377.488 4.479 50 10 GICAMO O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1C[NH+]1CCCCC1 ZINC000033304168 206257100 /nfs/dbraw/zinc/25/71/00/206257100.db2.gz CLRRTMYFBOKORA-UVTDQMKNSA-N 1 1 397.363 4.094 50 10 GICAMO Cc1cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000007984382 533687863 /nfs/dbraw/zinc/68/78/63/533687863.db2.gz HIAKCXFDZZIPMP-UHFFFAOYSA-N 1 1 383.536 4.222 50 10 GICAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c(O)c1 ZINC000043041395 570624781 /nfs/dbraw/zinc/62/47/81/570624781.db2.gz FUXJULMTFQBPME-OAHLLOKOSA-N 1 1 399.441 4.449 50 10 GICAMO CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)c3cc(F)ccc3OC)C2)c1O ZINC000012573250 570681808 /nfs/dbraw/zinc/68/18/08/570681808.db2.gz SCXFMSMUQOAPRB-HNNXBMFYSA-N 1 1 387.451 4.034 50 10 GICAMO C[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccc(N(C)C)cc2)c2ccccc2S1 ZINC000007990543 221022716 /nfs/dbraw/zinc/02/27/16/221022716.db2.gz RALISEZULMHLPK-KRWDZBQOSA-N 1 1 383.561 4.102 50 10 GICAMO C[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccc(N(C)C)cc2)c2ccccc2S1 ZINC000007990543 221022718 /nfs/dbraw/zinc/02/27/18/221022718.db2.gz RALISEZULMHLPK-KRWDZBQOSA-N 1 1 383.561 4.102 50 10 GICAMO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cc(F)ccc3F)C2)c1O ZINC000043056967 570625181 /nfs/dbraw/zinc/62/51/81/570625181.db2.gz NNJCUOMIWJJKPI-CQSZACIVSA-N 1 1 399.441 4.449 50 10 GICAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc([N+](=O)[O-])c2)c1O ZINC000036347329 570628757 /nfs/dbraw/zinc/62/87/57/570628757.db2.gz SFTYWZCLBVSTNK-OAQYLSRUSA-N 1 1 393.443 4.106 50 10 GICAMO CC[NH+](CC)Cc1c2c(C(=O)c3cc(OC)ccc3OC)coc2ccc1O ZINC000000978438 570742500 /nfs/dbraw/zinc/74/25/00/570742500.db2.gz WHARSEASBZUPRL-UHFFFAOYSA-N 1 1 383.444 4.228 50 10 GICAMO COc1cccc(-c2cc3n(n2)CCC[N@@H+](Cc2ccc(N(C)C)cc2)C3)c1 ZINC000065270407 570773255 /nfs/dbraw/zinc/77/32/55/570773255.db2.gz WETLKMFFIRGBPX-UHFFFAOYSA-N 1 1 376.504 4.031 50 10 GICAMO CCOC(=O)c1c(C)oc2c1c(C[NH+]1C[C@H](C)O[C@@H](C)C1)c(O)c1ccccc21 ZINC000023224597 570987914 /nfs/dbraw/zinc/98/79/14/570987914.db2.gz VNYPUKLNLDKLDW-KBPBESRZSA-N 1 1 397.471 4.386 50 10 GICAMO Cc1cc(C(=O)CN2CC[NH+](C)CC2)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000022458685 818809919 /nfs/dbraw/zinc/80/99/19/818809919.db2.gz QSFDVEPAOPXVCT-UHFFFAOYSA-N 1 1 387.527 4.191 50 10 GICAMO CCNC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)CCCN3C)s1 ZINC000019114039 207102808 /nfs/dbraw/zinc/10/28/08/207102808.db2.gz IANPLLSPYAUDSI-LJQANCHMSA-N 1 1 383.561 4.217 50 10 GICAMO COc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C)c3)C2)c1O ZINC000020449647 207192880 /nfs/dbraw/zinc/19/28/80/207192880.db2.gz QLQHCJIHPCGHGG-SFHVURJKSA-N 1 1 377.488 4.479 50 10 GICAMO COc1ccccc1-n1c(C)cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1C ZINC000079188873 208072045 /nfs/dbraw/zinc/07/20/45/208072045.db2.gz WWWPMXSHPMVFQG-PZJWPPBQSA-N 1 1 395.547 4.097 50 10 GICAMO Cc1c(O)c(C[NH2+]Cc2c(F)cccc2Cl)cc2c3c(c(=O)oc12)CCC3 ZINC000006669957 570528209 /nfs/dbraw/zinc/52/82/09/570528209.db2.gz FUMMITBLTKQSPU-UHFFFAOYSA-N 1 1 387.838 4.378 50 10 GICAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c1 ZINC000011840362 570586786 /nfs/dbraw/zinc/58/67/86/570586786.db2.gz GSEQFPXRCONGOB-QGZVFWFLSA-N 1 1 383.488 4.121 50 10 GICAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c(O)c1 ZINC000043041391 570625093 /nfs/dbraw/zinc/62/50/93/570625093.db2.gz FUXJULMTFQBPME-HNNXBMFYSA-N 1 1 399.441 4.449 50 10 GICAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1 ZINC000043004826 570625120 /nfs/dbraw/zinc/62/51/20/570625120.db2.gz HYJFBNLNROBPFH-AWEZNQCLSA-N 1 1 399.441 4.449 50 10 GICAMO COc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cc(F)ccc3F)C2)c1O ZINC000043056965 570625150 /nfs/dbraw/zinc/62/51/50/570625150.db2.gz NNJCUOMIWJJKPI-AWEZNQCLSA-N 1 1 399.441 4.449 50 10 GICAMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000043083314 570625790 /nfs/dbraw/zinc/62/57/90/570625790.db2.gz UGFWIPQZBNMRIO-CQSZACIVSA-N 1 1 399.441 4.449 50 10 GICAMO COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(F)c(F)c2)c1O ZINC000036348676 570631096 /nfs/dbraw/zinc/63/10/96/570631096.db2.gz JZRNRQPWRJPEMV-OAQYLSRUSA-N 1 1 384.426 4.476 50 10 GICAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(F)c(F)c2)c1O ZINC000036348676 570631098 /nfs/dbraw/zinc/63/10/98/570631098.db2.gz JZRNRQPWRJPEMV-OAQYLSRUSA-N 1 1 384.426 4.476 50 10 GICAMO Cc1ccc(C)c(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)c1 ZINC000053184655 570674138 /nfs/dbraw/zinc/67/41/38/570674138.db2.gz PNXGTIMRVWTPRC-UHFFFAOYSA-N 1 1 375.310 4.094 50 10 GICAMO C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccc(N(C)C)cc2)c2ccccc2S1 ZINC000007990542 817977474 /nfs/dbraw/zinc/97/74/74/817977474.db2.gz RALISEZULMHLPK-QGZVFWFLSA-N 1 1 383.561 4.102 50 10 GICAMO C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccc(N(C)C)cc2)c2ccccc2S1 ZINC000007990542 817977481 /nfs/dbraw/zinc/97/74/81/817977481.db2.gz RALISEZULMHLPK-QGZVFWFLSA-N 1 1 383.561 4.102 50 10 GICAMO CCCN(CCC)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1 ZINC000002933685 209398211 /nfs/dbraw/zinc/39/82/11/209398211.db2.gz LNHRJOPZBRGQKS-HXUWFJFHSA-N 1 1 398.576 4.217 50 10 GICAMO CCCN(CCC)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1 ZINC000002933685 209398212 /nfs/dbraw/zinc/39/82/12/209398212.db2.gz LNHRJOPZBRGQKS-HXUWFJFHSA-N 1 1 398.576 4.217 50 10 GICAMO Oc1c([C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCOCC2)ccc2cccnc21 ZINC000019680919 210282281 /nfs/dbraw/zinc/28/22/81/210282281.db2.gz HCJRDVCEUFLOHP-LJQANCHMSA-N 1 1 388.389 4.381 50 10 GICAMO COc1cccc(O)c1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(C)c2)C1 ZINC000023129282 570345477 /nfs/dbraw/zinc/34/54/77/570345477.db2.gz WCEOZVIWMDBXSM-SFHVURJKSA-N 1 1 377.488 4.479 50 10 GICAMO COc1cccc(O)c1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000042926002 570624188 /nfs/dbraw/zinc/62/41/88/570624188.db2.gz ZMUOYSBHZSYICV-HNNXBMFYSA-N 1 1 399.441 4.449 50 10 GICAMO COc1cccc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)c1O ZINC000012210599 818146732 /nfs/dbraw/zinc/14/67/32/818146732.db2.gz ILNFSIQPUIQDRS-FQEVSTJZSA-N 1 1 382.548 4.096 50 10 GICAMO COc1cccc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)c1O ZINC000012210599 818146737 /nfs/dbraw/zinc/14/67/37/818146737.db2.gz ILNFSIQPUIQDRS-FQEVSTJZSA-N 1 1 382.548 4.096 50 10 GICAMO CC(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035349259 570343325 /nfs/dbraw/zinc/34/33/25/570343325.db2.gz XWHXIOWYEUXYLC-QHCPKHFHSA-N 1 1 379.548 4.014 50 10 GICAMO CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349243 570343430 /nfs/dbraw/zinc/34/34/30/570343430.db2.gz WXPYUNLFLYASGM-QHCPKHFHSA-N 1 1 393.575 4.404 50 10 GICAMO COc1ccc(OC)c(-c2ccc(O)c(C[N@@H+](C)CCc3ccccn3)c2)c1 ZINC000012080109 570605867 /nfs/dbraw/zinc/60/58/67/570605867.db2.gz UOYADBLQNJFRSR-UHFFFAOYSA-N 1 1 378.472 4.146 50 10 GICAMO CN(C)c1ccc([C@H](CNC(=O)c2ccccc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349268 570343368 /nfs/dbraw/zinc/34/33/68/570343368.db2.gz LQLIPMBUNJXTPY-VWLOTQADSA-N 1 1 399.538 4.282 50 10 GICAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C)c3)C2)c(O)c1 ZINC000012241991 570630568 /nfs/dbraw/zinc/63/05/68/570630568.db2.gz QYAYUPURTLUQLA-IBGZPJMESA-N 1 1 377.488 4.479 50 10 GICAMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000042926005 570624120 /nfs/dbraw/zinc/62/41/20/570624120.db2.gz ZMUOYSBHZSYICV-OAHLLOKOSA-N 1 1 399.441 4.449 50 10 GICAMO CCCc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524729936 570764300 /nfs/dbraw/zinc/76/43/00/570764300.db2.gz OXMJGBKDZTURMI-GHTZIAJQSA-N 1 1 398.547 4.147 50 10 GICAMO CCCc1cc(=O)oc2c1ccc([O-])c2C[NH+](C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524729936 570764302 /nfs/dbraw/zinc/76/43/02/570764302.db2.gz OXMJGBKDZTURMI-GHTZIAJQSA-N 1 1 398.547 4.147 50 10 GICAMO CCCc1cc(=O)oc2c1ccc([O-])c2C[NH+](C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524729936 570764305 /nfs/dbraw/zinc/76/43/05/570764305.db2.gz OXMJGBKDZTURMI-GHTZIAJQSA-N 1 1 398.547 4.147 50 10 GICAMO COc1ccccc1-n1c(C)cc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1C ZINC000170613546 570871883 /nfs/dbraw/zinc/87/18/83/570871883.db2.gz WWWPMXSHPMVFQG-CTNGQTDRSA-N 1 1 395.547 4.097 50 10 GICAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](CCCC4CCCC4)C3)CC2)cc1 ZINC000020135820 210318350 /nfs/dbraw/zinc/31/83/50/210318350.db2.gz IXJCYQJFJJOVBE-HSZRJFAPSA-N 1 1 385.596 4.252 50 10 GICAMO CN(C)c1ccc([C@H](CNC(=O)C(C)(C)C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349269 570343441 /nfs/dbraw/zinc/34/34/41/570343441.db2.gz VNSLFONONWXYIM-QFIPXVFZSA-N 1 1 379.548 4.014 50 10 GICAMO Nc1ccc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000034633556 570542597 /nfs/dbraw/zinc/54/25/97/570542597.db2.gz WZRFRMWIFXULOV-UHFFFAOYSA-N 1 1 379.454 4.459 50 10 GICAMO CCCCNc1cc(N2CC[NH+](C)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737893 570562170 /nfs/dbraw/zinc/56/21/70/570562170.db2.gz QKXQKZWOANKNOL-UHFFFAOYSA-N 1 1 390.487 4.003 50 10 GICAMO COc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1O ZINC000042915216 570623822 /nfs/dbraw/zinc/62/38/22/570623822.db2.gz SAXLFVBYSWLVEW-INIZCTEOSA-N 1 1 381.451 4.310 50 10 GICAMO CC[N@@H+](CC(=O)NC(C)(C)C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000006859784 570652077 /nfs/dbraw/zinc/65/20/77/570652077.db2.gz PIYNXVGSQUEJNF-UHFFFAOYSA-N 1 1 393.325 4.045 50 10 GICAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(C)cc3)C2)c1 ZINC000020211931 818617813 /nfs/dbraw/zinc/61/78/13/818617813.db2.gz XFGSFLREBYKFNA-SFHVURJKSA-N 1 1 377.488 4.479 50 10 GICAMO COc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccccc3C)C2)c1O ZINC000014998866 210143270 /nfs/dbraw/zinc/14/32/70/210143270.db2.gz QOBNKXUNEVORAN-KRWDZBQOSA-N 1 1 377.488 4.479 50 10 GICAMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1O ZINC000029886845 570481760 /nfs/dbraw/zinc/48/17/60/570481760.db2.gz ARDYANRFYCWXIA-OAQYLSRUSA-N 1 1 395.430 4.045 50 10 GICAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1 ZINC000042942795 570624532 /nfs/dbraw/zinc/62/45/32/570624532.db2.gz LNZKLONKWLETRM-MRXNPFEDSA-N 1 1 381.451 4.310 50 10 GICAMO COc1cccc(O)c1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2cc(F)ccc2F)C1 ZINC000043071650 570625786 /nfs/dbraw/zinc/62/57/86/570625786.db2.gz USFDIEFKOZMNLZ-AWEZNQCLSA-N 1 1 399.441 4.449 50 10 GICAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c(O)c1 ZINC000015079991 210152246 /nfs/dbraw/zinc/15/22/46/210152246.db2.gz DLMKCZLQNXUSMD-SFHVURJKSA-N 1 1 383.488 4.121 50 10 GICAMO COc1ccc(N2CC[NH+](Cc3cc(=O)oc4ccc(C(C)C)cc34)CC2)cc1 ZINC000054105894 209212552 /nfs/dbraw/zinc/21/25/52/209212552.db2.gz BHZGZBASSLYXEK-UHFFFAOYSA-N 1 1 392.499 4.247 50 10 GICAMO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000020917143 210368008 /nfs/dbraw/zinc/36/80/08/210368008.db2.gz CAVSDUXJWACSPD-LJQANCHMSA-N 1 1 394.544 4.193 50 10 GICAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4cccc(Cl)c4)C3)CC2)cc1 ZINC000019595698 210276104 /nfs/dbraw/zinc/27/61/04/210276104.db2.gz RNXRAHGYDSVEBT-QFIPXVFZSA-N 1 1 399.966 4.135 50 10 GICAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4cccc(Cl)c4)C3)CC2)cc1 ZINC000019595698 210276108 /nfs/dbraw/zinc/27/61/08/210276108.db2.gz RNXRAHGYDSVEBT-QFIPXVFZSA-N 1 1 399.966 4.135 50 10 GICAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000003336854 570858324 /nfs/dbraw/zinc/85/83/24/570858324.db2.gz JJBBFGQVUKCGPB-AWEZNQCLSA-N 1 1 392.293 4.083 50 10 GICAMO COc1ccccc1-n1c(C)cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1C ZINC000170613545 570871920 /nfs/dbraw/zinc/87/19/20/570871920.db2.gz WWWPMXSHPMVFQG-FPOVZHCZSA-N 1 1 395.547 4.097 50 10 GICAMO COc1ccc(C(=O)c2coc3ccc(O)c(C[NH+]4CCCCC4)c23)cc1OC ZINC000217958832 209184061 /nfs/dbraw/zinc/18/40/61/209184061.db2.gz CIJXGCJZIUSNEM-UHFFFAOYSA-N 1 1 395.455 4.373 50 10 GICAMO Cc1cc(C(=O)CO[C@@H](C)Cc2[nH]cc[nH+]2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000089578081 211182195 /nfs/dbraw/zinc/18/21/95/211182195.db2.gz ZOJWMCRVSLKTGJ-ZDUSSCGKSA-N 1 1 389.858 4.440 50 10 GICAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c1 ZINC000011840364 221131197 /nfs/dbraw/zinc/13/11/97/221131197.db2.gz GSEQFPXRCONGOB-KRWDZBQOSA-N 1 1 383.488 4.121 50 10 GICAMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cn1c2ccccc2sc1=S ZINC000057761449 136154028 /nfs/dbraw/zinc/15/40/28/136154028.db2.gz BFPAAZUZKTZZPU-UHFFFAOYSA-N 1 1 385.558 4.358 50 10 GICAMO COc1ccc(Br)cc1C[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000007778452 221011171 /nfs/dbraw/zinc/01/11/71/221011171.db2.gz PDFDBNXMHHDOMW-UHFFFAOYSA-N 1 1 376.294 4.284 50 10 GICAMO CCc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](CC)C[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000526052469 570846086 /nfs/dbraw/zinc/84/60/86/570846086.db2.gz HMIVXETYJNJTAJ-RXVVDRJESA-N 1 1 398.547 4.147 50 10 GICAMO CCc1cc(=O)oc2c1ccc([O-])c2C[NH+](CC)C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000526052469 570846088 /nfs/dbraw/zinc/84/60/88/570846088.db2.gz HMIVXETYJNJTAJ-RXVVDRJESA-N 1 1 398.547 4.147 50 10 GICAMO CCc1cc(=O)oc2c1ccc([O-])c2C[NH+](CC)C[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000526052469 570846090 /nfs/dbraw/zinc/84/60/90/570846090.db2.gz HMIVXETYJNJTAJ-RXVVDRJESA-N 1 1 398.547 4.147 50 10 GICAMO Oc1ccc(Br)cc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000055292387 570690769 /nfs/dbraw/zinc/69/07/69/570690769.db2.gz YSBVGGQVFFASJR-UHFFFAOYSA-N 1 1 381.701 4.130 50 10 GICAMO Oc1ccc(Br)cc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023281805 818920175 /nfs/dbraw/zinc/92/01/75/818920175.db2.gz AUFNFIHGFNPKOD-UHFFFAOYSA-N 1 1 381.701 4.130 50 10 GICAMO CCNC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)CCCN3C)s1 ZINC000019114036 221396219 /nfs/dbraw/zinc/39/62/19/221396219.db2.gz IANPLLSPYAUDSI-IBGZPJMESA-N 1 1 383.561 4.217 50 10 GICAMO C[N@@H+](Cc1cc(=O)oc2cc(O)c(O)cc12)C1c2ccccc2-c2ccccc21 ZINC000095996074 222368903 /nfs/dbraw/zinc/36/89/03/222368903.db2.gz NWOFEVFFURLTMG-UHFFFAOYSA-N 1 1 385.419 4.406 50 10 GICAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(O)c1 ZINC000042628383 570621293 /nfs/dbraw/zinc/62/12/93/570621293.db2.gz XFDNDASNWQONQZ-HNNXBMFYSA-N 1 1 399.441 4.449 50 10 GICAMO COc1ccc2ccc(O)c(C[N@@H+](C)Cc3ccc(N4CCOCC4)cc3)c2c1 ZINC000007317532 570828795 /nfs/dbraw/zinc/82/87/95/570828795.db2.gz FTJRQDIEAWGBBM-UHFFFAOYSA-N 1 1 392.499 4.023 50 10 GICAMO COc1cccc(C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c1O ZINC000019362068 570979751 /nfs/dbraw/zinc/97/97/51/570979751.db2.gz UDTBCHLPTINKIU-UHFFFAOYSA-N 1 1 388.511 4.308 50 10 GICAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C)c3)C2)c1 ZINC000020209670 221478291 /nfs/dbraw/zinc/47/82/91/221478291.db2.gz YDHZMCLGIIYZFT-SFHVURJKSA-N 1 1 377.488 4.479 50 10 GICAMO Cc1cc(C(=O)NCc2ccnc(-n3cc[nH+]c3C)c2)c(C)n1-c1ccccc1C ZINC000058382456 222050627 /nfs/dbraw/zinc/05/06/27/222050627.db2.gz KULPMODNEHNLAC-UHFFFAOYSA-N 1 1 399.498 4.222 50 10 GICAMO COc1cccc(C[N@H+]2CC[C@@H](c3ccnc(-c4cccc(O)c4)c3)C2)c1O ZINC000065433042 222129510 /nfs/dbraw/zinc/12/95/10/222129510.db2.gz FDAFHBXPNXXSBJ-GOSISDBHSA-N 1 1 376.456 4.158 50 10 GICAMO C[C@@H]1C[C@H](C)C[N@@H+](C2CCN(Cc3cc(Br)ccc3O)CC2)C1 ZINC000002734632 570511869 /nfs/dbraw/zinc/51/18/69/570511869.db2.gz YDICPMBHHWNYNB-GASCZTMLSA-N 1 1 381.358 4.097 50 10 GICAMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000011815168 221127747 /nfs/dbraw/zinc/12/77/47/221127747.db2.gz ONQKFNUCNPUCEH-KRWDZBQOSA-N 1 1 398.934 4.106 50 10 GICAMO CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000012074870 221148070 /nfs/dbraw/zinc/14/80/70/221148070.db2.gz ALTRZTFWFRCUKK-DEOSSOPVSA-N 1 1 397.515 4.179 50 10 GICAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1 ZINC000043004829 570625106 /nfs/dbraw/zinc/62/51/06/570625106.db2.gz HYJFBNLNROBPFH-CQSZACIVSA-N 1 1 399.441 4.449 50 10 GICAMO CCc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](CC)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000526052463 570846183 /nfs/dbraw/zinc/84/61/83/570846183.db2.gz HMIVXETYJNJTAJ-GHTZIAJQSA-N 1 1 398.547 4.147 50 10 GICAMO CCc1cc(=O)oc2c1ccc([O-])c2C[NH+](CC)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000526052463 570846187 /nfs/dbraw/zinc/84/61/87/570846187.db2.gz HMIVXETYJNJTAJ-GHTZIAJQSA-N 1 1 398.547 4.147 50 10 GICAMO CCc1cc(=O)oc2c1ccc([O-])c2C[NH+](CC)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000526052463 570846193 /nfs/dbraw/zinc/84/61/93/570846193.db2.gz HMIVXETYJNJTAJ-GHTZIAJQSA-N 1 1 398.547 4.147 50 10 GICAMO COc1ccc(-c2cc(=O)oc3c(C)c(O)c(C[NH+]4CCCCC4)cc23)cc1 ZINC000002149951 570972163 /nfs/dbraw/zinc/97/21/63/570972163.db2.gz BLANFVODHDUYNY-UHFFFAOYSA-N 1 1 379.456 4.469 50 10 GICAMO CCOC(=O)c1c(C)oc2c1c(C[NH+]1C[C@@H](C)O[C@H](C)C1)c(O)c1ccccc21 ZINC000023224598 570987927 /nfs/dbraw/zinc/98/79/27/570987927.db2.gz VNYPUKLNLDKLDW-ZIAGYGMSSA-N 1 1 397.471 4.386 50 10 GICAMO CCc1ccc(C[N@H+]2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 ZINC000023374967 818929917 /nfs/dbraw/zinc/92/99/17/818929917.db2.gz IUGXVXFQTKEWPQ-DEOSSOPVSA-N 1 1 393.575 4.044 50 10 GICAMO CCc1ccc(CN2CCC[C@H]([NH+]3CCN(c4ccc(OC)cc4)CC3)C2)cc1 ZINC000023374967 818929922 /nfs/dbraw/zinc/92/99/22/818929922.db2.gz IUGXVXFQTKEWPQ-DEOSSOPVSA-N 1 1 393.575 4.044 50 10 GICAMO CN(C)c1ccc([C@H](CNC(=O)C2CCCC2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035560540 570396911 /nfs/dbraw/zinc/39/69/11/570396911.db2.gz NXHKRQQTTLHYTN-DEOSSOPVSA-N 1 1 391.559 4.158 50 10 GICAMO C[N@@H+](Cc1ccccc1)C1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000002493230 570503495 /nfs/dbraw/zinc/50/34/95/570503495.db2.gz QZUYQXFBUVYYBM-UHFFFAOYSA-N 1 1 389.337 4.251 50 10 GICAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1 ZINC000042942792 570624291 /nfs/dbraw/zinc/62/42/91/570624291.db2.gz LNZKLONKWLETRM-INIZCTEOSA-N 1 1 381.451 4.310 50 10 GICAMO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c1O ZINC000043004856 570624968 /nfs/dbraw/zinc/62/49/68/570624968.db2.gz YMRMUTGUPDBWHH-CQSZACIVSA-N 1 1 399.441 4.449 50 10 GICAMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1c(O)ccc2ccccc21 ZINC000006865412 570654617 /nfs/dbraw/zinc/65/46/17/570654617.db2.gz YVOCBKRPXBMKBG-UHFFFAOYSA-N 1 1 378.472 4.405 50 10 GICAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C)c3)C2)c(O)c1 ZINC000012241988 221173503 /nfs/dbraw/zinc/17/35/03/221173503.db2.gz QYAYUPURTLUQLA-LJQANCHMSA-N 1 1 377.488 4.479 50 10 GICAMO COc1cccc(O)c1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000043083311 570625547 /nfs/dbraw/zinc/62/55/47/570625547.db2.gz UGFWIPQZBNMRIO-AWEZNQCLSA-N 1 1 399.441 4.449 50 10 GICAMO CCOC(=O)[C@@]1(CCc2ccccc2)CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000012074868 221148858 /nfs/dbraw/zinc/14/88/58/221148858.db2.gz ALTRZTFWFRCUKK-XMMPIXPASA-N 1 1 397.515 4.179 50 10 GICAMO CCOC(=O)c1c(C)oc2c1c(C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c([O-])c1ccccc21 ZINC000015227371 221333982 /nfs/dbraw/zinc/33/39/82/221333982.db2.gz VNYPUKLNLDKLDW-OKILXGFUSA-N 1 1 397.471 4.386 50 10 GICAMO CCOC(=O)c1c(C)oc2c1c(C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c(O)c1ccccc21 ZINC000015227371 221333985 /nfs/dbraw/zinc/33/39/85/221333985.db2.gz VNYPUKLNLDKLDW-OKILXGFUSA-N 1 1 397.471 4.386 50 10 GICAMO Cc1cccc(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)c1C ZINC000053175277 136177517 /nfs/dbraw/zinc/17/75/17/136177517.db2.gz ZQPDRSZLRAKKNO-UHFFFAOYSA-N 1 1 375.310 4.094 50 10 GICAMO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C)c3)C2)c1O ZINC000020449645 570256304 /nfs/dbraw/zinc/25/63/04/570256304.db2.gz QLQHCJIHPCGHGG-GOSISDBHSA-N 1 1 377.488 4.479 50 10 GICAMO CN(C)c1ccc([C@@H](CNC(=O)C2CCCC2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035560537 570396818 /nfs/dbraw/zinc/39/68/18/570396818.db2.gz NXHKRQQTTLHYTN-XMMPIXPASA-N 1 1 391.559 4.158 50 10 GICAMO