smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](Cc1ccsc1)C1CCN(c2cccc(NC(=O)c3cccnc3)c2)CC1 ZINC000011913552 132352214 /nfs/dbraw/zinc/35/22/14/132352214.db2.gz CWHBTABYAWELKY-UHFFFAOYSA-N 1 1 406.555 4.496 10 0 HIAEMO CCCOc1ccc(C(=O)NCCC[N@@H+](C)CCCN(C)Cc2ccccc2)cc1 ZINC000020555594 520335937 /nfs/dbraw/zinc/33/59/37/520335937.db2.gz AIYVPSRBXIKXAN-UHFFFAOYSA-N 1 1 411.590 4.049 10 0 HIAEMO O=S(=O)(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccco2)CC1 ZINC000034683683 571313545 /nfs/dbraw/zinc/31/35/45/571313545.db2.gz ZUONNPKSFKBZLK-UHFFFAOYSA-N 1 1 414.502 4.279 10 0 HIAEMO CCN(Cc1nn(-c2ccccc2)c2c1C[N@H+](Cc1ccccc1)CC2)C(=O)C(C)C ZINC000037377113 571313926 /nfs/dbraw/zinc/31/39/26/571313926.db2.gz QBACKXOJUPUWDN-UHFFFAOYSA-N 1 1 416.569 4.435 10 0 HIAEMO CCN(Cc1nn(-c2ccccc2)c2c1C[N@@H+](Cc1ccccc1)CC2)C(=O)C(C)C ZINC000037377113 571313928 /nfs/dbraw/zinc/31/39/28/571313928.db2.gz QBACKXOJUPUWDN-UHFFFAOYSA-N 1 1 416.569 4.435 10 0 HIAEMO CCOc1cc(C[N@H+]2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)ccc1OC ZINC000012093619 560888926 /nfs/dbraw/zinc/88/89/26/560888926.db2.gz NUSWWVMSBZVQNP-QHCPKHFHSA-N 1 1 405.485 4.189 10 0 HIAEMO C[N@H+](Cc1ccon1)C1CCN(c2ccc(NC(=O)Cc3cccc(F)c3)cc2)CC1 ZINC000012191703 132356406 /nfs/dbraw/zinc/35/64/06/132356406.db2.gz NASXYQZZCROZFY-UHFFFAOYSA-N 1 1 422.504 4.096 10 0 HIAEMO C[N@@H+](Cc1ccon1)C1CCN(c2ccc(NC(=O)Cc3cccc(F)c3)cc2)CC1 ZINC000012191703 132356407 /nfs/dbraw/zinc/35/64/07/132356407.db2.gz NASXYQZZCROZFY-UHFFFAOYSA-N 1 1 422.504 4.096 10 0 HIAEMO CCn1nc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1-c1ccc(F)c(F)c1 ZINC000034901930 557481524 /nfs/dbraw/zinc/48/15/24/557481524.db2.gz ZCBNLDFBLQOPMC-KRWDZBQOSA-N 1 1 424.495 4.367 10 0 HIAEMO COc1ccccc1/C=C/C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc(F)cc2)C1 ZINC000011909172 558296128 /nfs/dbraw/zinc/29/61/28/558296128.db2.gz ZJFYBJHTKJBNOT-RUNSZDOXSA-N 1 1 408.517 4.361 10 0 HIAEMO O[C@H](Cc1ccccc1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000106680256 560892964 /nfs/dbraw/zinc/89/29/64/560892964.db2.gz BCASFXXIOZMCLE-JWQCQUIFSA-N 1 1 400.522 4.285 10 0 HIAEMO CN(CC[N@H+]1CCc2ccccc2C1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000020538879 522840218 /nfs/dbraw/zinc/84/02/18/522840218.db2.gz DYPZZFMOCGXGGD-UHFFFAOYSA-N 1 1 416.447 4.246 10 0 HIAEMO Cc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2ccc(F)cc2)c(C)c1 ZINC000017090400 558818988 /nfs/dbraw/zinc/81/89/88/558818988.db2.gz YKXOGEGYINUDTH-UHFFFAOYSA-N 1 1 415.578 4.364 10 0 HIAEMO O=C([C@@H]1CC=CCC1)N1CCOc2ccc(C[N@@H+]3CCc4sccc4C3)cc2C1 ZINC000012149814 560890370 /nfs/dbraw/zinc/89/03/70/560890370.db2.gz SZWLXCZYJQNUHW-LJQANCHMSA-N 1 1 408.567 4.384 10 0 HIAEMO O=C([C@@H]1CC=CCC1)N1CCOc2ccc(C[N@H+]3CCc4sccc4C3)cc2C1 ZINC000012149814 560890372 /nfs/dbraw/zinc/89/03/72/560890372.db2.gz SZWLXCZYJQNUHW-LJQANCHMSA-N 1 1 408.567 4.384 10 0 HIAEMO OC[C@@]1(Cc2ccccc2F)CCC[N@H+](C2CCN(c3ccccc3F)CC2)C1 ZINC000011937838 132352354 /nfs/dbraw/zinc/35/23/54/132352354.db2.gz JQWFULHFHXISBK-XMMPIXPASA-N 1 1 400.513 4.251 10 0 HIAEMO COc1ccc(-c2n[nH]cc2CN2CCC[C@H]([N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000020601406 523182696 /nfs/dbraw/zinc/18/26/96/523182696.db2.gz DPIZWKXRNFSFRN-QHCPKHFHSA-N 1 1 402.542 4.108 10 0 HIAEMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)cc1 ZINC000020601406 523182702 /nfs/dbraw/zinc/18/27/02/523182702.db2.gz DPIZWKXRNFSFRN-QHCPKHFHSA-N 1 1 402.542 4.108 10 0 HIAEMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)cc1 ZINC000020601406 523182710 /nfs/dbraw/zinc/18/27/10/523182710.db2.gz DPIZWKXRNFSFRN-QHCPKHFHSA-N 1 1 402.542 4.108 10 0 HIAEMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1C1CCCCCC1 ZINC000012080296 558320830 /nfs/dbraw/zinc/32/08/30/558320830.db2.gz BPEXIGXDBBNQMS-PXNSSMCTSA-N 1 1 400.592 4.345 10 0 HIAEMO CCN(Cc1ccncc1)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012319721 568468138 /nfs/dbraw/zinc/46/81/38/568468138.db2.gz IUVLYLVZJFNKGI-XMMPIXPASA-N 1 1 411.590 4.108 10 0 HIAEMO CCN(Cc1ccncc1)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012319721 568468139 /nfs/dbraw/zinc/46/81/39/568468139.db2.gz IUVLYLVZJFNKGI-XMMPIXPASA-N 1 1 411.590 4.108 10 0 HIAEMO C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6cccc(O)c6)[nH]c5c4)nc3c2)CC1 ZINC000026503609 132227316 /nfs/dbraw/zinc/22/73/16/132227316.db2.gz WOFDIDGQAOQHGY-UHFFFAOYSA-N 1 1 424.508 4.231 10 0 HIAEMO CC(C)C[N@H+](Cc1cccn1Cc1cccc(F)c1)C[C@H](O)COCc1ccco1 ZINC000004513986 568919828 /nfs/dbraw/zinc/91/98/28/568919828.db2.gz RFVJKUBUMALWHP-QHCPKHFHSA-N 1 1 414.521 4.304 10 0 HIAEMO COC(=O)c1ccc(NC(=O)N2CCC([N@@H+](C)Cc3cccc(Cl)c3)CC2)cc1 ZINC000006750546 569109337 /nfs/dbraw/zinc/10/93/37/569109337.db2.gz FPGKXJSNSDFTAM-UHFFFAOYSA-N 1 1 415.921 4.255 10 0 HIAEMO COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000036341162 569141809 /nfs/dbraw/zinc/14/18/09/569141809.db2.gz PJCHSSVFMVKRPK-HXOBKFHXSA-N 1 1 409.505 4.386 10 0 HIAEMO Cc1ccc(CN2C[C@H]3C[N@H+](Cc4cccc(OC(F)(F)F)c4)CCN3C2=O)cc1 ZINC000096269150 291268110 /nfs/dbraw/zinc/26/81/10/291268110.db2.gz INBXYDBWBQXAQB-LJQANCHMSA-N 1 1 419.447 4.016 10 0 HIAEMO Cc1ccc(CN2C[C@H]3C[N@@H+](Cc4cccc(OC(F)(F)F)c4)CCN3C2=O)cc1 ZINC000096269150 291268112 /nfs/dbraw/zinc/26/81/12/291268112.db2.gz INBXYDBWBQXAQB-LJQANCHMSA-N 1 1 419.447 4.016 10 0 HIAEMO COc1ccc(C[NH+]2CCN(c3ncnc4sc5c(c43)C[C@@H](C)CC5)CC2)cc1 ZINC000006728502 132313881 /nfs/dbraw/zinc/31/38/81/132313881.db2.gz KFMCQPOXKWYEHI-INIZCTEOSA-N 1 1 408.571 4.147 10 0 HIAEMO COc1ccc2c(C)nc(N3CCC([N@H+]4CCC[C@@H](C(=O)CC(C)C)C4)CC3)nc2c1 ZINC000011815414 536963729 /nfs/dbraw/zinc/96/37/29/536963729.db2.gz YTSMOGFUKNFIGB-LJQANCHMSA-N 1 1 424.589 4.243 10 0 HIAEMO Cc1ccc(C[N@@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)c(C)c1 ZINC000020535152 558385982 /nfs/dbraw/zinc/38/59/82/558385982.db2.gz OYTMXLVAWBLTFE-UGKGYDQZSA-N 1 1 422.598 4.440 10 0 HIAEMO Cc1ccccc1Cn1cccc1C[N@@H+](CC(C)C)C[C@@H](O)COCc1ccco1 ZINC000004572456 558746543 /nfs/dbraw/zinc/74/65/43/558746543.db2.gz QLEQUQHKINYLBL-XMMPIXPASA-N 1 1 410.558 4.474 10 0 HIAEMO CC(=O)OCc1cc(C(=O)C[N@@H+](Cc2ccccc2)C(C)(C)C)ccc1OC(C)=O ZINC000005166216 560201106 /nfs/dbraw/zinc/20/11/06/560201106.db2.gz NCQOUEUIEVCLCE-UHFFFAOYSA-N 1 1 411.498 4.158 10 0 in-vitro HIAEMO COc1ccccc1CN1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000012099977 560888983 /nfs/dbraw/zinc/88/89/83/560888983.db2.gz KEQJSVXGOSHMCG-IBGZPJMESA-N 1 1 412.603 4.053 10 0 HIAEMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000020203705 568594213 /nfs/dbraw/zinc/59/42/13/568594213.db2.gz REKMJUFZYCVWPA-QFIPXVFZSA-N 1 1 403.530 4.150 10 0 HIAEMO CCN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000020203705 568594214 /nfs/dbraw/zinc/59/42/14/568594214.db2.gz REKMJUFZYCVWPA-QFIPXVFZSA-N 1 1 403.530 4.150 10 0 HIAEMO CCN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000020203705 568594215 /nfs/dbraw/zinc/59/42/15/568594215.db2.gz REKMJUFZYCVWPA-QFIPXVFZSA-N 1 1 403.530 4.150 10 0 HIAEMO COc1ccc(-c2n[nH]cc2CN2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000020601405 523183235 /nfs/dbraw/zinc/18/32/35/523183235.db2.gz DPIZWKXRNFSFRN-HSZRJFAPSA-N 1 1 402.542 4.108 10 0 HIAEMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1 ZINC000020601405 523183243 /nfs/dbraw/zinc/18/32/43/523183243.db2.gz DPIZWKXRNFSFRN-HSZRJFAPSA-N 1 1 402.542 4.108 10 0 HIAEMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1 ZINC000020601405 523183249 /nfs/dbraw/zinc/18/32/49/523183249.db2.gz DPIZWKXRNFSFRN-HSZRJFAPSA-N 1 1 402.542 4.108 10 0 HIAEMO COc1ccc2c(C)nc(N3CCC([N@H+]4CCC[C@H](C(=O)CC(C)C)C4)CC3)nc2c1 ZINC000011815415 536963302 /nfs/dbraw/zinc/96/33/02/536963302.db2.gz YTSMOGFUKNFIGB-IBGZPJMESA-N 1 1 424.589 4.243 10 0 HIAEMO c1ccc(Oc2nc(N3CCCCC3)nc3c2C[N@H+](Cc2cccnc2)CC3)cc1 ZINC000034755974 557458314 /nfs/dbraw/zinc/45/83/14/557458314.db2.gz RIZQMYRTVLVYFS-UHFFFAOYSA-N 1 1 401.514 4.213 10 0 HIAEMO c1ccc(Oc2nc(N3CCCCC3)nc3c2C[N@@H+](Cc2cccnc2)CC3)cc1 ZINC000034755974 557458315 /nfs/dbraw/zinc/45/83/15/557458315.db2.gz RIZQMYRTVLVYFS-UHFFFAOYSA-N 1 1 401.514 4.213 10 0 HIAEMO CCn1ccnc1C[N@@H+]1CCC[C@@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012316519 558379916 /nfs/dbraw/zinc/37/99/16/558379916.db2.gz SBCKLVMLWQHTQF-INIZCTEOSA-N 1 1 404.942 4.196 10 0 HIAEMO CCn1ccnc1C[N@H+]1CCC[C@@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012316519 558379919 /nfs/dbraw/zinc/37/99/19/558379919.db2.gz SBCKLVMLWQHTQF-INIZCTEOSA-N 1 1 404.942 4.196 10 0 HIAEMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982799 560858889 /nfs/dbraw/zinc/85/88/89/560858889.db2.gz AKMXFRSQAZZZHQ-LOSJGSFVSA-N 1 1 418.512 4.425 10 0 HIAEMO COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000105008316 560859777 /nfs/dbraw/zinc/85/97/77/560859777.db2.gz PJCHSSVFMVKRPK-GAJHUEQPSA-N 1 1 409.505 4.386 10 0 HIAEMO CCn1nc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1-c1ccc(F)c(F)c1 ZINC000034901932 557481518 /nfs/dbraw/zinc/48/15/18/557481518.db2.gz ZCBNLDFBLQOPMC-QGZVFWFLSA-N 1 1 424.495 4.367 10 0 HIAEMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)COCc3ccccc3)CC2)cc1 ZINC000023307700 559110239 /nfs/dbraw/zinc/11/02/39/559110239.db2.gz DJTCBOVJSCDEEH-MHZLTWQESA-N 1 1 414.549 4.445 10 0 HIAEMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)COCc3ccccc3)CC2)cc1 ZINC000023307702 559110248 /nfs/dbraw/zinc/11/02/48/559110248.db2.gz DJTCBOVJSCDEEH-HHHXNRCGSA-N 1 1 414.549 4.445 10 0 HIAEMO O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1 ZINC000028527093 132227616 /nfs/dbraw/zinc/22/76/16/132227616.db2.gz AGUZAIMBKPZTGP-UHFFFAOYSA-N 1 1 424.347 4.465 10 0 HIAEMO COC(=O)CCC[N@@H+](C/C=C/c1ccc(OC)c(OC)c1)Cc1ccc(F)cc1 ZINC000390822706 569070139 /nfs/dbraw/zinc/07/01/39/569070139.db2.gz HIUNEUVBHOEZDZ-GQCTYLIASA-N 1 1 401.478 4.312 10 0 HIAEMO COc1ccccc1CN1CCC[C@@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000012099976 569399668 /nfs/dbraw/zinc/39/96/68/569399668.db2.gz KEQJSVXGOSHMCG-LJQANCHMSA-N 1 1 412.603 4.053 10 0 HIAEMO COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000245328756 571225462 /nfs/dbraw/zinc/22/54/62/571225462.db2.gz PJCHSSVFMVKRPK-UZUQRXQVSA-N 1 1 409.505 4.386 10 0 HIAEMO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](CC2CCCCC2)C1)c1cccs1 ZINC000004236222 291269680 /nfs/dbraw/zinc/26/96/80/291269680.db2.gz ZPDABEJTYKMKPU-ZWKOTPCHSA-N 1 1 411.571 4.162 10 0 HIAEMO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccc(O)cc2)C3)cc1OC ZINC000055131731 569390271 /nfs/dbraw/zinc/39/02/71/569390271.db2.gz UBZQZQVAARFYRS-UHFFFAOYSA-N 1 1 421.493 4.480 10 0 HIAEMO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccc(O)cc2)C3)cc1OC ZINC000055131731 569390272 /nfs/dbraw/zinc/39/02/72/569390272.db2.gz UBZQZQVAARFYRS-UHFFFAOYSA-N 1 1 421.493 4.480 10 0 HIAEMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C1CC1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034855569 557476966 /nfs/dbraw/zinc/47/69/66/557476966.db2.gz FYWWXFUVMITIEU-MZNJEOGPSA-N 1 1 408.542 4.026 10 0 HIAEMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C1CC1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034855569 557476968 /nfs/dbraw/zinc/47/69/68/557476968.db2.gz FYWWXFUVMITIEU-MZNJEOGPSA-N 1 1 408.542 4.026 10 0 HIAEMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)Cc2ccncn2)cc1F ZINC000055576061 568779801 /nfs/dbraw/zinc/77/98/01/568779801.db2.gz JSJTVFYIKIDFCG-UHFFFAOYSA-N 1 1 417.488 4.417 10 0 HIAEMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)Cc2ccncn2)cc1F ZINC000055576061 568779803 /nfs/dbraw/zinc/77/98/03/568779803.db2.gz JSJTVFYIKIDFCG-UHFFFAOYSA-N 1 1 417.488 4.417 10 0 HIAEMO CCC(=O)Nc1c(C)cc(C(=O)N2CCC([N@@H+](C)CCc3ccccc3)CC2)cc1C ZINC000003985553 571316250 /nfs/dbraw/zinc/31/62/50/571316250.db2.gz BESKMDLUOAVUJF-UHFFFAOYSA-N 1 1 421.585 4.431 10 0 investigational HIAEMO COc1ccc(CN2C(=O)CC[C@@H]3C[N@H+](Cc4ccc(C)s4)CC[C@@H]32)cc1OC ZINC000011839512 558286171 /nfs/dbraw/zinc/28/61/71/558286171.db2.gz KXAFYYJTRJEYPD-QUCCMNQESA-N 1 1 414.571 4.087 10 0 HIAEMO Cc1cc2nc(N3CCC[N@H+](Cc4nc5ccccc5[nH]4)CC3)nc(C)c2cc1C ZINC000023338378 559172990 /nfs/dbraw/zinc/17/29/90/559172990.db2.gz OWPBAYOJLLWPCW-UHFFFAOYSA-N 1 1 400.530 4.144 10 0 HIAEMO Cc1cc2nc(N3CCC[N@@H+](Cc4nc5ccccc5[nH]4)CC3)nc(C)c2cc1C ZINC000023338378 559172991 /nfs/dbraw/zinc/17/29/91/559172991.db2.gz OWPBAYOJLLWPCW-UHFFFAOYSA-N 1 1 400.530 4.144 10 0 HIAEMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C1CC1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000103051866 560852844 /nfs/dbraw/zinc/85/28/44/560852844.db2.gz FYWWXFUVMITIEU-BXKMTCNYSA-N 1 1 408.542 4.026 10 0 HIAEMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C1CC1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000103051866 560852845 /nfs/dbraw/zinc/85/28/45/560852845.db2.gz FYWWXFUVMITIEU-BXKMTCNYSA-N 1 1 408.542 4.026 10 0 HIAEMO O[C@H](Cc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983545 560859227 /nfs/dbraw/zinc/85/92/27/560859227.db2.gz FFRACAWXUBADOT-JWQCQUIFSA-N 1 1 418.512 4.425 10 0 HIAEMO CN(C)c1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000669385201 569040379 /nfs/dbraw/zinc/04/03/79/569040379.db2.gz KYMULGKCDMAGAD-UHFFFAOYSA-N 1 1 416.550 4.072 10 0 HIAEMO CN(C)c1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](Cc1ccccc1)C3 ZINC000669385201 569040380 /nfs/dbraw/zinc/04/03/80/569040380.db2.gz KYMULGKCDMAGAD-UHFFFAOYSA-N 1 1 416.550 4.072 10 0 HIAEMO OC[C@]1(Cc2ccccc2F)CCC[N@H+](C2CCN(c3ccccc3F)CC2)C1 ZINC000011937839 132352396 /nfs/dbraw/zinc/35/23/96/132352396.db2.gz JQWFULHFHXISBK-DEOSSOPVSA-N 1 1 400.513 4.251 10 0 HIAEMO COc1cccc2c(=O)[nH]c(CCC[N@@H+]3CC=C(c4ccc(Cl)cc4)CC3)nc12 ZINC000045817612 524198962 /nfs/dbraw/zinc/19/89/62/524198962.db2.gz OJWCKFWBTKLJOP-UHFFFAOYSA-N 1 1 409.917 4.307 10 0 HIAEMO O=S(=O)(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccoc2)CC1 ZINC000034683908 557387025 /nfs/dbraw/zinc/38/70/25/557387025.db2.gz LKRLEXPFZUFIPK-UHFFFAOYSA-N 1 1 414.502 4.279 10 0 HIAEMO CCN(Cc1ccncc1)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012319720 568468171 /nfs/dbraw/zinc/46/81/71/568468171.db2.gz IUVLYLVZJFNKGI-DEOSSOPVSA-N 1 1 411.590 4.108 10 0 HIAEMO CCN(Cc1ccncc1)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012319720 568468172 /nfs/dbraw/zinc/46/81/72/568468172.db2.gz IUVLYLVZJFNKGI-DEOSSOPVSA-N 1 1 411.590 4.108 10 0 HIAEMO CC1=C[C@@H](CNC(=O)C[NH+](C)C)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(Cl)cc2[nH]1 ZINC000077262205 291262234 /nfs/dbraw/zinc/26/22/34/291262234.db2.gz ZBHGPWFIBQLHCC-LNLFQRSKSA-N 1 1 416.997 4.291 10 0 HIAEMO O=c1c(-c2cccc(C(F)(F)F)c2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](C2CCOCC2)C1 ZINC000008300280 291270691 /nfs/dbraw/zinc/27/06/91/291270691.db2.gz MPFKROYSICNUKM-DOTOQJQBSA-N 1 1 418.459 4.132 10 0 biogenic HIAEMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C1CC1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034855570 557476831 /nfs/dbraw/zinc/47/68/31/557476831.db2.gz FYWWXFUVMITIEU-OSPHWJPCSA-N 1 1 408.542 4.026 10 0 HIAEMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C1CC1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034855570 557476836 /nfs/dbraw/zinc/47/68/36/557476836.db2.gz FYWWXFUVMITIEU-OSPHWJPCSA-N 1 1 408.542 4.026 10 0 HIAEMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1OC ZINC000012386850 558395523 /nfs/dbraw/zinc/39/55/23/558395523.db2.gz ONKODMIASATUQY-OAQYLSRUSA-N 1 1 411.546 4.183 10 0 HIAEMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000020203702 568594145 /nfs/dbraw/zinc/59/41/45/568594145.db2.gz REKMJUFZYCVWPA-JOCHJYFZSA-N 1 1 403.530 4.150 10 0 HIAEMO CCN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000020203702 568594149 /nfs/dbraw/zinc/59/41/49/568594149.db2.gz REKMJUFZYCVWPA-JOCHJYFZSA-N 1 1 403.530 4.150 10 0 HIAEMO CCN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000020203702 568594151 /nfs/dbraw/zinc/59/41/51/568594151.db2.gz REKMJUFZYCVWPA-JOCHJYFZSA-N 1 1 403.530 4.150 10 0 HIAEMO CC(C)Oc1ccccc1N1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000052956332 581095251 /nfs/dbraw/zinc/09/52/51/581095251.db2.gz ZKZFPRUSWCYSGT-UHFFFAOYSA-N 1 1 421.585 4.422 10 0 in-man HIAEMO COc1ccc(NC(=O)c2cc3c(n2C)CC[N@H+](Cc2cccc(C)c2)C3)c(OC)c1 ZINC000065210882 569196309 /nfs/dbraw/zinc/19/63/09/569196309.db2.gz YMRXMRDZHQSTNB-UHFFFAOYSA-N 1 1 419.525 4.161 10 0 HIAEMO COc1ccc(NC(=O)c2cc3c(n2C)CC[N@@H+](Cc2cccc(C)c2)C3)c(OC)c1 ZINC000065210882 569196311 /nfs/dbraw/zinc/19/63/11/569196311.db2.gz YMRXMRDZHQSTNB-UHFFFAOYSA-N 1 1 419.525 4.161 10 0 HIAEMO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@H+](Cc2cccs2)C3)cc1 ZINC000096111889 291266312 /nfs/dbraw/zinc/26/63/12/291266312.db2.gz XPJARSZBLOYOKM-UGKGYDQZSA-N 1 1 420.534 4.325 10 0 HIAEMO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@@H+](Cc2cccs2)C3)cc1 ZINC000096111889 291266313 /nfs/dbraw/zinc/26/63/13/291266313.db2.gz XPJARSZBLOYOKM-UGKGYDQZSA-N 1 1 420.534 4.325 10 0 HIAEMO CCC(CC)C[N@H+]1CCOc2ccc(CN3CCN(c4ccccn4)CC3)cc2C1 ZINC000012098622 132353949 /nfs/dbraw/zinc/35/39/49/132353949.db2.gz JCLJQARKKLRVKI-UHFFFAOYSA-N 1 1 408.590 4.034 10 0 HIAEMO Cc1ccc2[nH+]cc(C(=O)c3ccc(C)c(C)c3)c(N3CCC(C(N)=O)CC3)c2c1 ZINC000036058130 569084649 /nfs/dbraw/zinc/08/46/49/569084649.db2.gz VTLNFCRFRSVSSU-UHFFFAOYSA-N 1 1 401.510 4.093 10 0 HIAEMO O[C@H](Cc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145905 569098365 /nfs/dbraw/zinc/09/83/65/569098365.db2.gz FFRACAWXUBADOT-RPBOFIJWSA-N 1 1 418.512 4.425 10 0 HIAEMO C/C=C(\C)C[N@H+]1CCOc2ccc(CN3CCN(c4ccc(F)cc4)CC3)cc2C1 ZINC000011786713 533431082 /nfs/dbraw/zinc/43/10/82/533431082.db2.gz VLBGLGPTPTZBRG-BIMFAAKUSA-N 1 1 409.549 4.309 10 0 HIAEMO O[C@H](Cc1ccccc1)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000096280229 568718044 /nfs/dbraw/zinc/71/80/44/568718044.db2.gz BCASFXXIOZMCLE-RPBOFIJWSA-N 1 1 400.522 4.285 10 0 HIAEMO CC(C)C[N@H+](Cc1cccn1Cc1cccc(F)c1)C[C@@H](O)COCc1ccco1 ZINC000004513988 558631635 /nfs/dbraw/zinc/63/16/35/558631635.db2.gz RFVJKUBUMALWHP-HSZRJFAPSA-N 1 1 414.521 4.304 10 0 HIAEMO COc1cccc(CN2C[C@@H]3C[C@@H](c4[nH]c5ccccc5c4C)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000011818775 559260457 /nfs/dbraw/zinc/26/04/57/559260457.db2.gz KUSBOBFKLALDCH-CZZAQMAHSA-N 1 1 415.537 4.423 10 0 HIAEMO CCc1c(C(=O)N2CC[NH+](CC)CC2)c(CC(C)C)nn1-c1cccc(Cl)c1 ZINC000096299838 568722919 /nfs/dbraw/zinc/72/29/19/568722919.db2.gz ATVJFAHYWRQIMC-UHFFFAOYSA-N 1 1 402.970 4.064 10 0 HIAEMO COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000036341163 569141857 /nfs/dbraw/zinc/14/18/57/569141857.db2.gz PJCHSSVFMVKRPK-SBUREZEXSA-N 1 1 409.505 4.386 10 0 HIAEMO Cc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)N2CCC[N@H+](C)CC2)cc1C ZINC000034922056 571313806 /nfs/dbraw/zinc/31/38/06/571313806.db2.gz AKXPJEKIOHPSCE-UHFFFAOYSA-N 1 1 416.525 4.330 10 0 HIAEMO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@@H+](CCCc2ccccc2)C1 ZINC000015674156 291270721 /nfs/dbraw/zinc/27/07/21/291270721.db2.gz BIYUVYVCJJFFGI-MOPGFXCFSA-N 1 1 417.431 4.496 10 0 HIAEMO Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)NCc4ccc(F)cc4)c3)CC2)cc1 ZINC000034668287 557362045 /nfs/dbraw/zinc/36/20/45/557362045.db2.gz YAZTUULDGVMHOQ-UHFFFAOYSA-N 1 1 417.528 4.386 10 0 HIAEMO CCn1ccnc1C[N@@H+]1CCC[C@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012316520 558380007 /nfs/dbraw/zinc/38/00/07/558380007.db2.gz SBCKLVMLWQHTQF-MRXNPFEDSA-N 1 1 404.942 4.196 10 0 HIAEMO CCn1ccnc1C[N@H+]1CCC[C@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012316520 558380010 /nfs/dbraw/zinc/38/00/10/558380010.db2.gz SBCKLVMLWQHTQF-MRXNPFEDSA-N 1 1 404.942 4.196 10 0 HIAEMO CCCC[N@@H+](C)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000013596271 558547172 /nfs/dbraw/zinc/54/71/72/558547172.db2.gz BKIUTSUEJODTRK-UHFFFAOYSA-N 1 1 410.949 4.418 10 0 HIAEMO Cc1ccccc1Cn1cccc1C[N@@H+](CC(C)C)C[C@H](O)COCc1ccco1 ZINC000004572455 558746531 /nfs/dbraw/zinc/74/65/31/558746531.db2.gz QLEQUQHKINYLBL-DEOSSOPVSA-N 1 1 410.558 4.474 10 0 HIAEMO O=C([C@H]1CC=CCC1)N1CCOc2ccc(C[N@@H+]3CCc4sccc4C3)cc2C1 ZINC000012149813 560890417 /nfs/dbraw/zinc/89/04/17/560890417.db2.gz SZWLXCZYJQNUHW-IBGZPJMESA-N 1 1 408.567 4.384 10 0 HIAEMO O=C([C@H]1CC=CCC1)N1CCOc2ccc(C[N@H+]3CCc4sccc4C3)cc2C1 ZINC000012149813 560890418 /nfs/dbraw/zinc/89/04/18/560890418.db2.gz SZWLXCZYJQNUHW-IBGZPJMESA-N 1 1 408.567 4.384 10 0 HIAEMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145858 569098488 /nfs/dbraw/zinc/09/84/88/569098488.db2.gz AKMXFRSQAZZZHQ-DQEYMECFSA-N 1 1 418.512 4.425 10 0 HIAEMO C[C@@H](CCc1ccc(O)cc1)[N@H+](Cc1ccc(O)cc1)C[C@H](O)c1ccc(O)cc1 ZINC000065742832 569393301 /nfs/dbraw/zinc/39/33/01/569393301.db2.gz PNPKXWAWXWHYOI-BVZFJXPGSA-N 1 1 407.510 4.360 10 0 in-vitro HIAEMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3noc4c3CCc3sccc3-4)C2)cc1 ZINC000015733303 571261794 /nfs/dbraw/zinc/26/17/94/571261794.db2.gz NPPOLWAIOJNLGR-KRWDZBQOSA-N 1 1 407.539 4.062 10 0 HIAEMO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CCCN(Cc3ccc(Cl)s3)C1)CC2 ZINC000020535029 523032344 /nfs/dbraw/zinc/03/23/44/523032344.db2.gz JJUABCAWOJLDMC-QGZVFWFLSA-N 1 1 406.979 4.441 10 0 HIAEMO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](Cc3ccc(Cl)s3)C1)CC2 ZINC000020535029 523032355 /nfs/dbraw/zinc/03/23/55/523032355.db2.gz JJUABCAWOJLDMC-QGZVFWFLSA-N 1 1 406.979 4.441 10 0 HIAEMO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@@H+](Cc3ccc(Cl)s3)C1)CC2 ZINC000020535029 523032361 /nfs/dbraw/zinc/03/23/61/523032361.db2.gz JJUABCAWOJLDMC-QGZVFWFLSA-N 1 1 406.979 4.441 10 0 HIAEMO COc1cc2c(cc1OC)C[N@H+]([C@H]1CCCN(Cc3ccc(Cl)s3)C1)CC2 ZINC000020535031 523032890 /nfs/dbraw/zinc/03/28/90/523032890.db2.gz JJUABCAWOJLDMC-KRWDZBQOSA-N 1 1 406.979 4.441 10 0 HIAEMO COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](Cc3ccc(Cl)s3)C1)CC2 ZINC000020535031 523032897 /nfs/dbraw/zinc/03/28/97/523032897.db2.gz JJUABCAWOJLDMC-KRWDZBQOSA-N 1 1 406.979 4.441 10 0 HIAEMO COc1cc2c(cc1OC)CN([C@H]1CCC[N@@H+](Cc3ccc(Cl)s3)C1)CC2 ZINC000020535031 523032898 /nfs/dbraw/zinc/03/28/98/523032898.db2.gz JJUABCAWOJLDMC-KRWDZBQOSA-N 1 1 406.979 4.441 10 0 HIAEMO O[C@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982802 560858922 /nfs/dbraw/zinc/85/89/22/560858922.db2.gz AKMXFRSQAZZZHQ-JWQCQUIFSA-N 1 1 418.512 4.425 10 0 HIAEMO O[C@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145859 569098376 /nfs/dbraw/zinc/09/83/76/569098376.db2.gz AKMXFRSQAZZZHQ-RPBOFIJWSA-N 1 1 418.512 4.425 10 0 HIAEMO Cn1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5cccnc5)c43)C2)c2ccccc21 ZINC000003841907 291268910 /nfs/dbraw/zinc/26/89/10/291268910.db2.gz NYHXTPQLAAKBHA-AZUAARDMSA-N 1 1 410.521 4.021 10 0 HIAEMO Cc1cccc(C[NH+]2CCN(Cc3nc(C(=O)Nc4cc(C)ccc4F)co3)CC2)c1 ZINC000034678202 557366287 /nfs/dbraw/zinc/36/62/87/557366287.db2.gz BPGKCIZDGGCHHP-UHFFFAOYSA-N 1 1 422.504 4.001 10 0 HIAEMO C/C=C(\C)C[N@@H+]1C[C@H](Sc2ccccn2)C[C@H]1C(=O)Nc1ccc2nccnc2c1 ZINC000012030621 558311197 /nfs/dbraw/zinc/31/11/97/558311197.db2.gz UWQNATBWBSSIIY-BWJAFNJXSA-N 1 1 419.554 4.165 10 0 HIAEMO C/C=C(\C)C[N@H+]1C[C@H](Sc2ccccn2)C[C@H]1C(=O)Nc1ccc2nccnc2c1 ZINC000012030621 558311200 /nfs/dbraw/zinc/31/12/00/558311200.db2.gz UWQNATBWBSSIIY-BWJAFNJXSA-N 1 1 419.554 4.165 10 0 HIAEMO COc1ccccc1CC[NH+]1CCC(C[N@H+](C)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000014976125 558689320 /nfs/dbraw/zinc/68/93/20/558689320.db2.gz AWAFSHRMBBSJFY-UHFFFAOYSA-N 1 1 402.966 4.441 10 0 HIAEMO COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000014976125 558689322 /nfs/dbraw/zinc/68/93/22/558689322.db2.gz AWAFSHRMBBSJFY-UHFFFAOYSA-N 1 1 402.966 4.441 10 0 HIAEMO COCC[N@@H+](CC1CC[NH+](Cc2ccccc2F)CC1)C[C@H]1CCOC(C)(C)C1 ZINC000011841656 559261712 /nfs/dbraw/zinc/26/17/12/559261712.db2.gz VJQZHEIIYVPINP-NRFANRHFSA-N 1 1 406.586 4.191 10 0 HIAEMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)C1CC1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000103051868 560852838 /nfs/dbraw/zinc/85/28/38/560852838.db2.gz FYWWXFUVMITIEU-XDHUDOTRSA-N 1 1 408.542 4.026 10 0 HIAEMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)C1CC1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000103051868 560852839 /nfs/dbraw/zinc/85/28/39/560852839.db2.gz FYWWXFUVMITIEU-XDHUDOTRSA-N 1 1 408.542 4.026 10 0 HIAEMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000106680254 560893010 /nfs/dbraw/zinc/89/30/10/560893010.db2.gz BCASFXXIOZMCLE-LOSJGSFVSA-N 1 1 400.522 4.285 10 0 HIAEMO Cc1ccccc1CN(CCC[NH+]1CCOCC1)C(=S)Nc1ccccc1F ZINC000020418461 558361476 /nfs/dbraw/zinc/36/14/76/558361476.db2.gz SVFJPKPFGHPUAO-UHFFFAOYSA-N 1 1 401.551 4.055 10 0 HIAEMO O=C(Nc1ccc(-n2cccn2)cc1)C1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000019226661 569414496 /nfs/dbraw/zinc/41/44/96/569414496.db2.gz QIMKAIUCIBXWDR-UHFFFAOYSA-N 1 1 421.570 4.058 10 0 HIAEMO NC(=O)c1cccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(Cc4ccccc4)no3)C2)c1 ZINC000328603911 569417182 /nfs/dbraw/zinc/41/71/82/569417182.db2.gz HKEWKQXWAGSTFL-HYBUGGRVSA-N 1 1 402.498 4.097 10 0 HIAEMO O[C@@H](COc1ccc2ccccc2c1)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000032704030 527660746 /nfs/dbraw/zinc/66/07/46/527660746.db2.gz QQOGIKZYOUZJQV-HSZRJFAPSA-N 1 1 410.945 4.051 10 0 HIAEMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1OC ZINC000012386851 558395533 /nfs/dbraw/zinc/39/55/33/558395533.db2.gz ONKODMIASATUQY-NRFANRHFSA-N 1 1 411.546 4.183 10 0 HIAEMO O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3cccc4cccnc43)[N@H+]3CCC[C@@]123 ZINC000011815062 559260316 /nfs/dbraw/zinc/26/03/16/559260316.db2.gz FLCFHPWTTVETKR-DDZLNHKNSA-N 1 1 409.533 4.140 10 0 HIAEMO C[C@H](CCc1ccc(O)cc1)[N@H+](Cc1ccc(O)cc1)C[C@H](O)c1ccc(O)cc1 ZINC000065742833 569393379 /nfs/dbraw/zinc/39/33/79/569393379.db2.gz PNPKXWAWXWHYOI-CJAUYULYSA-N 1 1 407.510 4.360 10 0 in-vitro HIAEMO Cc1ccc(CN2C[C@H]3C[N@H+](Cc4ccc(OC(F)(F)F)cc4)CCN3C2=O)cc1 ZINC000096269147 291268094 /nfs/dbraw/zinc/26/80/94/291268094.db2.gz FKBQCYPVFWYMAG-LJQANCHMSA-N 1 1 419.447 4.016 10 0 HIAEMO Cc1ccc(CN2C[C@H]3C[N@@H+](Cc4ccc(OC(F)(F)F)cc4)CCN3C2=O)cc1 ZINC000096269147 291268096 /nfs/dbraw/zinc/26/80/96/291268096.db2.gz FKBQCYPVFWYMAG-LJQANCHMSA-N 1 1 419.447 4.016 10 0 HIAEMO Cc1cc2c(C)nc(N3CCC([N@H+]4CCOc5ccccc5C4)CC3)nc2cc1F ZINC000011881349 132351585 /nfs/dbraw/zinc/35/15/85/132351585.db2.gz VMWZEXAPBQLSTR-UHFFFAOYSA-N 1 1 406.505 4.249 10 0 HIAEMO C[C@@H]1CCC[N@H+]1CCc1ccc(C2=CC[C@H]3CN(C(=O)C4CCOCC4)C[C@@H]23)cc1 ZINC000040893422 524260250 /nfs/dbraw/zinc/26/02/50/524260250.db2.gz KTVGKRKFCUTGRP-HFRGRHLUSA-N 1 1 408.586 4.002 10 0 HIAEMO CCOc1cc(C[N@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)ccc1OC ZINC000012093617 560888895 /nfs/dbraw/zinc/88/88/95/560888895.db2.gz NUSWWVMSBZVQNP-HSZRJFAPSA-N 1 1 405.485 4.189 10 0 HIAEMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000096280228 568717640 /nfs/dbraw/zinc/71/76/40/568717640.db2.gz BCASFXXIOZMCLE-DQEYMECFSA-N 1 1 400.522 4.285 10 0 HIAEMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3noc4c3CCc3sccc3-4)C2)cc1 ZINC000015733304 571261809 /nfs/dbraw/zinc/26/18/09/571261809.db2.gz NPPOLWAIOJNLGR-QGZVFWFLSA-N 1 1 407.539 4.062 10 0 HIAEMO COc1ccc(C[NH+]2CCN(c3ncnc4sc5c(c43)C[C@H](C)CC5)CC2)cc1 ZINC000006728500 132313919 /nfs/dbraw/zinc/31/39/19/132313919.db2.gz KFMCQPOXKWYEHI-MRXNPFEDSA-N 1 1 408.571 4.147 10 0 HIAEMO O[C@H](COc1ccc2ccccc2c1)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000032704032 526291963 /nfs/dbraw/zinc/29/19/63/526291963.db2.gz QQOGIKZYOUZJQV-QHCPKHFHSA-N 1 1 410.945 4.051 10 0 HIAEMO COCC[N@@H+](CC1CC[NH+](Cc2ccccc2F)CC1)C[C@@H]1CCOC(C)(C)C1 ZINC000011841654 559261721 /nfs/dbraw/zinc/26/17/21/559261721.db2.gz VJQZHEIIYVPINP-OAQYLSRUSA-N 1 1 406.586 4.191 10 0 HIAEMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983547 560859188 /nfs/dbraw/zinc/85/91/88/560859188.db2.gz FFRACAWXUBADOT-LOSJGSFVSA-N 1 1 418.512 4.425 10 0 HIAEMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145904 569098353 /nfs/dbraw/zinc/09/83/53/569098353.db2.gz FFRACAWXUBADOT-DQEYMECFSA-N 1 1 418.512 4.425 10 0 HIAEMO