smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC[C@H](C)[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001569437120 1085213554 /nfs/dbraw/zinc/21/35/54/1085213554.db2.gz PRDGZKALEFWOPF-AZUAARDMSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001569437120 1085213555 /nfs/dbraw/zinc/21/35/55/1085213555.db2.gz PRDGZKALEFWOPF-AZUAARDMSA-N 1 3 347.547 2.997 10 30 EFEEHO C#CCN1CCC[C@]2(CCN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001569466761 1085260960 /nfs/dbraw/zinc/26/09/60/1085260960.db2.gz DYMJLUUDCZVJJQ-NRFANRHFSA-N 1 3 347.547 2.836 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001569470627 1085269748 /nfs/dbraw/zinc/26/97/48/1085269748.db2.gz BXWSVUZVYKYAOU-QZTJIDSGSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1CC ZINC001569801142 1085616657 /nfs/dbraw/zinc/61/66/57/1085616657.db2.gz YYDOISBRRVOVBL-YVWKXTFCSA-N 1 3 343.515 2.912 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1CC ZINC001569801142 1085616661 /nfs/dbraw/zinc/61/66/61/1085616661.db2.gz YYDOISBRRVOVBL-YVWKXTFCSA-N 1 3 343.515 2.912 10 30 EFEEHO C=C(C)C[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1CC ZINC001569802439 1085619498 /nfs/dbraw/zinc/61/94/98/1085619498.db2.gz VHFLTHFDHZMMIW-FXAWDEMLSA-N 1 3 343.515 2.914 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001569989113 1085825127 /nfs/dbraw/zinc/82/51/27/1085825127.db2.gz YPZWJZKYGKRYJZ-IAGOWNOFSA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001569989113 1085825138 /nfs/dbraw/zinc/82/51/38/1085825138.db2.gz YPZWJZKYGKRYJZ-IAGOWNOFSA-N 1 3 341.927 2.688 10 30 EFEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001570032693 1085886472 /nfs/dbraw/zinc/88/64/72/1085886472.db2.gz AEODYSWWGLKUKB-ZWKOTPCHSA-N 1 3 341.499 2.851 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCCCC)CC2)CC1 ZINC001570187096 1086032679 /nfs/dbraw/zinc/03/26/79/1086032679.db2.gz GZBVSMWYOOVAPN-FQEVSTJZSA-N 1 3 347.547 2.883 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCCCC)CC2)CC1 ZINC001570187096 1086032685 /nfs/dbraw/zinc/03/26/85/1086032685.db2.gz GZBVSMWYOOVAPN-FQEVSTJZSA-N 1 3 347.547 2.883 10 30 EFEEHO C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001570269688 1086107143 /nfs/dbraw/zinc/10/71/43/1086107143.db2.gz ZYYYLYAWHOKCHU-HXUWFJFHSA-N 1 3 343.515 2.838 10 30 EFEEHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC001570641511 1086429908 /nfs/dbraw/zinc/42/99/08/1086429908.db2.gz MTNTWQKYPFJCHV-HZPDHXFCSA-N 1 3 349.906 2.516 10 30 EFEEHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC001570641511 1086429915 /nfs/dbraw/zinc/42/99/15/1086429915.db2.gz MTNTWQKYPFJCHV-HZPDHXFCSA-N 1 3 349.906 2.516 10 30 EFEEHO C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001570736104 1086490770 /nfs/dbraw/zinc/49/07/70/1086490770.db2.gz QYXIUSSBVSLGNP-MAUKXSAKSA-N 1 3 327.488 2.602 10 30 EFEEHO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001570736104 1086490772 /nfs/dbraw/zinc/49/07/72/1086490772.db2.gz QYXIUSSBVSLGNP-MAUKXSAKSA-N 1 3 327.488 2.602 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]CCCCC)CCCCC2)CC1 ZINC001570806121 1086529545 /nfs/dbraw/zinc/52/95/45/1086529545.db2.gz VSNPCEQKTPLJPG-UHFFFAOYSA-N 1 3 347.547 2.931 10 30 EFEEHO C#CCNC[C@@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001570812345 1086532433 /nfs/dbraw/zinc/53/24/33/1086532433.db2.gz PUOHCNHPYMMTRM-IEBWSBKVSA-N 1 3 333.520 2.681 10 30 EFEEHO C#CCNC[C@@H](CCCC)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001570812345 1086532441 /nfs/dbraw/zinc/53/24/41/1086532441.db2.gz PUOHCNHPYMMTRM-IEBWSBKVSA-N 1 3 333.520 2.681 10 30 EFEEHO C=C(C)C[N@@H+](C)CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001571614778 1086988988 /nfs/dbraw/zinc/98/89/88/1086988988.db2.gz SZSVWAUOLUYJEN-IBGZPJMESA-N 1 3 341.515 2.944 10 30 EFEEHO C=C(C)C[N@H+](C)CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001571614778 1086988995 /nfs/dbraw/zinc/98/89/95/1086988995.db2.gz SZSVWAUOLUYJEN-IBGZPJMESA-N 1 3 341.515 2.944 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001571687152 1087049248 /nfs/dbraw/zinc/04/92/48/1087049248.db2.gz VAGGWJDMUWOPJG-MJGOQNOKSA-N 1 3 333.520 2.962 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001571687152 1087049251 /nfs/dbraw/zinc/04/92/51/1087049251.db2.gz VAGGWJDMUWOPJG-MJGOQNOKSA-N 1 3 333.520 2.962 10 30 EFEEHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCN2CCC)c(F)c1 ZINC001571703214 1087076200 /nfs/dbraw/zinc/07/62/00/1087076200.db2.gz YBQRAQACRSNYSH-SFHVURJKSA-N 1 3 333.451 2.592 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)CCC[NH2+]CC2CC(C)(C)C2)CC1 ZINC001649470327 1092511637 /nfs/dbraw/zinc/51/16/37/1092511637.db2.gz ITXNCVDPMFUULG-QGZVFWFLSA-N 1 3 347.547 2.642 10 30 EFEEHO C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001267217187 1093227295 /nfs/dbraw/zinc/22/72/95/1093227295.db2.gz AEUSAZHPWXDGKJ-MAUKXSAKSA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001267217187 1093227299 /nfs/dbraw/zinc/22/72/99/1093227299.db2.gz AEUSAZHPWXDGKJ-MAUKXSAKSA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCCC[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001268046489 1094858289 /nfs/dbraw/zinc/85/82/89/1094858289.db2.gz CIEABROYWKUXEG-UHFFFAOYSA-N 1 3 333.520 2.609 10 30 EFEEHO C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001268164584 1095668658 /nfs/dbraw/zinc/66/86/58/1095668658.db2.gz BMVGWZBIUNGAKU-IBGZPJMESA-N 1 3 329.488 2.909 10 30 EFEEHO C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267575149 1095790953 /nfs/dbraw/zinc/79/09/53/1095790953.db2.gz CWCJFXGMETZVIJ-QFBILLFUSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267575149 1095790969 /nfs/dbraw/zinc/79/09/69/1095790969.db2.gz CWCJFXGMETZVIJ-QFBILLFUSA-N 1 3 339.499 2.603 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001481883690 1096856898 /nfs/dbraw/zinc/85/68/98/1096856898.db2.gz YCCQWEPJNJHGAZ-PXNSSMCTSA-N 1 3 341.499 2.577 10 30 EFEEHO CC#CCNCc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001482034999 1097135028 /nfs/dbraw/zinc/13/50/28/1097135028.db2.gz KBRGRXZMYCPJMI-PMACEKPBSA-N 1 3 341.499 2.536 10 30 EFEEHO C=C(C)CN1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001269339574 1098071002 /nfs/dbraw/zinc/07/10/02/1098071002.db2.gz NQXOKUONJJCOGQ-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001269621649 1098300707 /nfs/dbraw/zinc/30/07/07/1098300707.db2.gz KDUNJICBNKBVAS-UHFFFAOYSA-N 1 3 333.520 2.750 10 30 EFEEHO C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001269621649 1098300715 /nfs/dbraw/zinc/30/07/15/1098300715.db2.gz KDUNJICBNKBVAS-UHFFFAOYSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001269633170 1098311857 /nfs/dbraw/zinc/31/18/57/1098311857.db2.gz UCOGVVADUBWIFQ-QGZVFWFLSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001269633170 1098311864 /nfs/dbraw/zinc/31/18/64/1098311864.db2.gz UCOGVVADUBWIFQ-QGZVFWFLSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001270088756 1098681445 /nfs/dbraw/zinc/68/14/45/1098681445.db2.gz QNOPGTPZDLLZAB-IBGZPJMESA-N 1 3 329.488 2.843 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CCC(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001267947557 1098797377 /nfs/dbraw/zinc/79/73/77/1098797377.db2.gz WNIOZMJCOGWSMB-MSOLQXFVSA-N 1 3 335.536 2.901 10 30 EFEEHO C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001270249671 1098862112 /nfs/dbraw/zinc/86/21/12/1098862112.db2.gz VVMWRNZRYBMQIT-LJQANCHMSA-N 1 3 339.499 2.746 10 30 EFEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001270359087 1099003419 /nfs/dbraw/zinc/00/34/19/1099003419.db2.gz RSSWGJMMXZCNLL-PKOBYXMFSA-N 1 3 333.520 2.608 10 30 EFEEHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001270511690 1099160901 /nfs/dbraw/zinc/16/09/01/1099160901.db2.gz DAPCFZARKMPHKC-OAQYLSRUSA-N 1 3 345.531 2.590 10 30 EFEEHO C=CCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC001671256801 1099373632 /nfs/dbraw/zinc/37/36/32/1099373632.db2.gz KQUQQALGUFEPTO-LPHOPBHVSA-N 1 3 329.488 2.907 10 30 EFEEHO CC[C@H](CNC(=O)CC[N@H+](C)CC)NCC#Cc1cccc(Cl)c1 ZINC001267826407 1099474313 /nfs/dbraw/zinc/47/43/13/1099474313.db2.gz HVZBHZFKOCPSFP-GOSISDBHSA-N 1 3 349.906 2.518 10 30 EFEEHO CC[C@H](CNC(=O)CC[N@@H+](C)CC)NCC#Cc1cccc(Cl)c1 ZINC001267826407 1099474321 /nfs/dbraw/zinc/47/43/21/1099474321.db2.gz HVZBHZFKOCPSFP-GOSISDBHSA-N 1 3 349.906 2.518 10 30 EFEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1CCC)C1CCCCC1 ZINC001482406092 1100042750 /nfs/dbraw/zinc/04/27/50/1100042750.db2.gz MRTOPNZUQRSEON-RTBURBONSA-N 1 3 333.520 2.539 10 30 EFEEHO C=CC[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001271016426 1100377779 /nfs/dbraw/zinc/37/77/79/1100377779.db2.gz GQYRZLFOVKMQHW-FQEVSTJZSA-N 1 3 329.488 2.766 10 30 EFEEHO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001271016426 1100377788 /nfs/dbraw/zinc/37/77/88/1100377788.db2.gz GQYRZLFOVKMQHW-FQEVSTJZSA-N 1 3 329.488 2.766 10 30 EFEEHO CC#CCN1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001271017717 1100381976 /nfs/dbraw/zinc/38/19/76/1100381976.db2.gz VFEGVWZZDDBEIZ-TZIWHRDSSA-N 1 3 347.547 2.739 10 30 EFEEHO C=C(C)CC[NH2+][C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001266431226 1102032230 /nfs/dbraw/zinc/03/22/30/1102032230.db2.gz LVVWHORDGYQHNU-APWZRJJASA-N 1 3 339.499 2.650 10 30 EFEEHO C=C(C)CC[NH2+][C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001266431229 1102033155 /nfs/dbraw/zinc/03/31/55/1102033155.db2.gz LVVWHORDGYQHNU-VQIMIIECSA-N 1 3 339.499 2.650 10 30 EFEEHO C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)CCCCCC)C2)CC1 ZINC001656398342 1102052072 /nfs/dbraw/zinc/05/20/72/1102052072.db2.gz IBDOOBHSUAZBGS-LJQANCHMSA-N 1 3 347.547 2.835 10 30 EFEEHO C=CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271665279 1102228065 /nfs/dbraw/zinc/22/80/65/1102228065.db2.gz JRGLRTXKMFLFAE-OALUTQOASA-N 1 3 335.536 2.901 10 30 EFEEHO C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001656905237 1102253511 /nfs/dbraw/zinc/25/35/11/1102253511.db2.gz TURVWEKCPHQUAS-MOPGFXCFSA-N 1 3 333.520 2.635 10 30 EFEEHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001271750065 1102590361 /nfs/dbraw/zinc/59/03/61/1102590361.db2.gz MBDRXSFDADATGN-OKYOBFRVSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001271750065 1102590372 /nfs/dbraw/zinc/59/03/72/1102590372.db2.gz MBDRXSFDADATGN-OKYOBFRVSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCC[C@H](C)[N@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001271783901 1102673072 /nfs/dbraw/zinc/67/30/72/1102673072.db2.gz ICUHALLTUNWPLX-INIZCTEOSA-N 1 3 332.492 2.867 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001271783901 1102673080 /nfs/dbraw/zinc/67/30/80/1102673080.db2.gz ICUHALLTUNWPLX-INIZCTEOSA-N 1 3 332.492 2.867 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001661066990 1103108338 /nfs/dbraw/zinc/10/83/38/1103108338.db2.gz TXJFAFFLIDPJLT-QZTJIDSGSA-N 1 3 333.520 2.798 10 30 EFEEHO C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001661235391 1103194918 /nfs/dbraw/zinc/19/49/18/1103194918.db2.gz JBPNKZRCHCSYLO-OALUTQOASA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001661235391 1103194927 /nfs/dbraw/zinc/19/49/27/1103194927.db2.gz JBPNKZRCHCSYLO-OALUTQOASA-N 1 3 335.536 2.997 10 30 EFEEHO CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001661275757 1103215177 /nfs/dbraw/zinc/21/51/77/1103215177.db2.gz DPLWLSVUILTYTP-HDICACEKSA-N 1 3 333.520 2.728 10 30 EFEEHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001661280436 1103219866 /nfs/dbraw/zinc/21/98/66/1103219866.db2.gz YPWIRRZYKMQGMN-KDURUIRLSA-N 1 3 333.520 2.894 10 30 EFEEHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001662728049 1103774292 /nfs/dbraw/zinc/77/42/92/1103774292.db2.gz MQDULGYMNCXMMJ-SFHVURJKSA-N 1 3 329.488 2.766 10 30 EFEEHO C=C(C)CN(CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001663749779 1104206917 /nfs/dbraw/zinc/20/69/17/1104206917.db2.gz UCIPKILCEVLCBE-LJQANCHMSA-N 1 3 333.520 2.940 10 30 EFEEHO C=C(C)CN(CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001663749779 1104206926 /nfs/dbraw/zinc/20/69/26/1104206926.db2.gz UCIPKILCEVLCBE-LJQANCHMSA-N 1 3 333.520 2.940 10 30 EFEEHO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](CCC)CCC ZINC001272044573 1104278899 /nfs/dbraw/zinc/27/88/99/1104278899.db2.gz RROGHMFAAURDPR-RTBURBONSA-N 1 3 333.520 2.587 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CCCC)c2ccccc2)CC1 ZINC001664599218 1104467429 /nfs/dbraw/zinc/46/74/29/1104467429.db2.gz QFIQXCAQIBHGHI-FQEVSTJZSA-N 1 3 341.499 2.579 10 30 EFEEHO C#CCNCc1ccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC001666347728 1104932041 /nfs/dbraw/zinc/93/20/41/1104932041.db2.gz PXQIUBYMUCGVJW-FQEVSTJZSA-N 1 3 341.499 2.536 10 30 EFEEHO C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001667307326 1105113931 /nfs/dbraw/zinc/11/39/31/1105113931.db2.gz VIHFFSVZCWYAOT-FQEVSTJZSA-N 1 3 341.499 2.746 10 30 EFEEHO C#CCC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1CCCC1 ZINC001671530794 1105653022 /nfs/dbraw/zinc/65/30/22/1105653022.db2.gz UDBVVABZYPDDRY-SFHVURJKSA-N 1 3 333.520 2.539 10 30 EFEEHO CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001672356139 1105811712 /nfs/dbraw/zinc/81/17/12/1105811712.db2.gz OHCZPZJKFUNGRO-YSTOQKLRSA-N 1 3 345.531 2.633 10 30 EFEEHO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001672356139 1105811718 /nfs/dbraw/zinc/81/17/18/1105811718.db2.gz OHCZPZJKFUNGRO-YSTOQKLRSA-N 1 3 345.531 2.633 10 30 EFEEHO CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCCN1CC ZINC001672400739 1105824860 /nfs/dbraw/zinc/82/48/60/1105824860.db2.gz PVKNHKCYNDVTOB-FQEVSTJZSA-N 1 3 341.499 2.503 10 30 EFEEHO C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001672439109 1105833550 /nfs/dbraw/zinc/83/35/50/1105833550.db2.gz SFQJDRNTRYUXAT-OTWHNJEPSA-N 1 3 333.520 2.606 10 30 EFEEHO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001672439109 1105833554 /nfs/dbraw/zinc/83/35/54/1105833554.db2.gz SFQJDRNTRYUXAT-OTWHNJEPSA-N 1 3 333.520 2.606 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001672933601 1105941860 /nfs/dbraw/zinc/94/18/60/1105941860.db2.gz FXLNOIUWGHGWMG-IRXDYDNUSA-N 1 3 329.488 2.793 10 30 EFEEHO C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001672943945 1105946033 /nfs/dbraw/zinc/94/60/33/1105946033.db2.gz UMDZYEROORSCRQ-SJORKVTESA-N 1 3 329.488 2.871 10 30 EFEEHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001672982662 1105953873 /nfs/dbraw/zinc/95/38/73/1105953873.db2.gz JGZSOLYGXKWUEF-FHWLQOOXSA-N 1 3 333.520 2.537 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]C[C@H](C)CC)CC2)CC1 ZINC001672995030 1105956288 /nfs/dbraw/zinc/95/62/88/1105956288.db2.gz QUJYYPUXUJNAAG-QWFCFKBJSA-N 1 3 347.547 2.642 10 30 EFEEHO C=CCCCCC[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001673016607 1105960063 /nfs/dbraw/zinc/96/00/63/1105960063.db2.gz LLGDXKJMUAUMGB-UHFFFAOYSA-N 1 3 330.476 2.623 10 30 EFEEHO C=C(C)CN1CCc2c(CNC(=O)C3(C[NH+](C)C)CC3)cccc2C1 ZINC001673079932 1105971703 /nfs/dbraw/zinc/97/17/03/1105971703.db2.gz VGOWMXOQGPCOBK-UHFFFAOYSA-N 1 3 341.499 2.579 10 30 EFEEHO C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001673496496 1106035247 /nfs/dbraw/zinc/03/52/47/1106035247.db2.gz NDPORCJSDXAAKL-RBUKOAKNSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001673496496 1106035252 /nfs/dbraw/zinc/03/52/52/1106035252.db2.gz NDPORCJSDXAAKL-RBUKOAKNSA-N 1 3 335.536 2.853 10 30 EFEEHO CC#CC[NH+]1CCC(CCCCCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001673630001 1106058534 /nfs/dbraw/zinc/05/85/34/1106058534.db2.gz SZKMGVWYKPLLRR-IBGZPJMESA-N 1 3 347.547 2.740 10 30 EFEEHO C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001676074790 1106480452 /nfs/dbraw/zinc/48/04/52/1106480452.db2.gz SPVDDMZFCULIRK-SFHVURJKSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001676074790 1106480453 /nfs/dbraw/zinc/48/04/53/1106480453.db2.gz SPVDDMZFCULIRK-SFHVURJKSA-N 1 3 335.536 2.996 10 30 EFEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001677307265 1106695494 /nfs/dbraw/zinc/69/54/94/1106695494.db2.gz ZKSZFZPOJAYFHX-ROUUACIJSA-N 1 3 335.536 2.641 10 30 EFEEHO CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001272226427 1108330318 /nfs/dbraw/zinc/33/03/18/1108330318.db2.gz ROFGEMYVZLQGSI-SJLPKXTDSA-N 1 3 332.492 2.845 10 30 EFEEHO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001272226427 1108330332 /nfs/dbraw/zinc/33/03/32/1108330332.db2.gz ROFGEMYVZLQGSI-SJLPKXTDSA-N 1 3 332.492 2.845 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CCCN1C(C)C)C1CC[NH+](CCC(C)C)CC1 ZINC001483984478 1112630252 /nfs/dbraw/zinc/63/02/52/1112630252.db2.gz NXSQJRZDRRIZMZ-FQEVSTJZSA-N 1 3 347.547 2.832 10 30 EFEEHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CC/C=C/CC)CC1 ZINC001483987016 1112632090 /nfs/dbraw/zinc/63/20/90/1112632090.db2.gz AWUDPQLYRJWMGD-YXBWYFRISA-N 1 3 333.520 2.609 10 30 EFEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CC/C=C\CC)CC1 ZINC001483988427 1112634183 /nfs/dbraw/zinc/63/41/83/1112634183.db2.gz AWUDPQLYRJWMGD-ZBTAVZRMSA-N 1 3 333.520 2.609 10 30 EFEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CCCC3CCC3)CCC2)CC1 ZINC001484663345 1113103594 /nfs/dbraw/zinc/10/35/94/1113103594.db2.gz QAEUTZBNVCZLDF-UHFFFAOYSA-N 1 3 345.531 2.540 10 30 EFEEHO C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001485045478 1117964489 /nfs/dbraw/zinc/96/44/89/1117964489.db2.gz YTOVQLRHKSDJBB-VAMGGRTRSA-N 1 3 343.515 2.911 10 30 EFEEHO C=C(Cl)CN(CC)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001485033322 1117966747 /nfs/dbraw/zinc/96/67/47/1117966747.db2.gz DFRMJLFYRIFBMJ-KRWDZBQOSA-N 1 3 341.927 2.641 10 30 EFEEHO C=C(Cl)CN(CC)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001485033322 1117966752 /nfs/dbraw/zinc/96/67/52/1117966752.db2.gz DFRMJLFYRIFBMJ-KRWDZBQOSA-N 1 3 341.927 2.641 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001485617826 1118482196 /nfs/dbraw/zinc/48/21/96/1118482196.db2.gz AQTLVOHQCVWTKW-MKXGPGLRSA-N 1 3 333.520 2.511 10 30 EFEEHO C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001485617826 1118482197 /nfs/dbraw/zinc/48/21/97/1118482197.db2.gz AQTLVOHQCVWTKW-MKXGPGLRSA-N 1 3 333.520 2.511 10 30 EFEEHO C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001485653960 1118501049 /nfs/dbraw/zinc/50/10/49/1118501049.db2.gz OXEGSJIMNKUGIY-KSZLIROESA-N 1 3 333.520 2.654 10 30 EFEEHO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001485653960 1118501050 /nfs/dbraw/zinc/50/10/50/1118501050.db2.gz OXEGSJIMNKUGIY-KSZLIROESA-N 1 3 333.520 2.654 10 30 EFEEHO [NH2+]=C(Nc1ccccn1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000262423922 240351284 /nfs/dbraw/zinc/35/12/84/240351284.db2.gz BYHHYLZNYKWDTJ-UHFFFAOYSA-N 1 3 341.381 2.614 10 30 EFEEHO CCN1CC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113323925 544569957 /nfs/dbraw/zinc/56/99/57/544569957.db2.gz QXNXQSXJXCKZIN-QGZVFWFLSA-N 1 3 337.471 2.895 10 30 EFEEHO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)NC1CCN(C2CC2)CC1 ZINC000330129037 295389876 /nfs/dbraw/zinc/38/98/76/295389876.db2.gz OBFMKICPRMAUGE-QZTJIDSGSA-N 1 3 345.491 2.540 10 30 EFEEHO N#Cc1ccc(OCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000567645833 319192147 /nfs/dbraw/zinc/19/21/47/319192147.db2.gz BWNWDKWYELUOCP-PZJWPPBQSA-N 1 3 349.434 2.783 10 30 EFEEHO C=CC[C@H]1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000628492124 479920852 /nfs/dbraw/zinc/92/08/52/479920852.db2.gz OKMNSVDWNFXKLZ-KRWDZBQOSA-N 1 3 333.520 2.607 10 30 EFEEHO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccccc2)CC1 ZINC000106329604 472840910 /nfs/dbraw/zinc/84/09/10/472840910.db2.gz PFAHYMFVURQNMH-IBGZPJMESA-N 1 3 344.503 2.629 10 30 EFEEHO N#CCCOCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000339008896 474829180 /nfs/dbraw/zinc/82/91/80/474829180.db2.gz BLANYRMTXHOLFY-FQEVSTJZSA-N 1 3 327.472 2.905 10 30 EFEEHO N#CCCOCC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000339008896 474829182 /nfs/dbraw/zinc/82/91/82/474829182.db2.gz BLANYRMTXHOLFY-FQEVSTJZSA-N 1 3 327.472 2.905 10 30 EFEEHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358564039 475774072 /nfs/dbraw/zinc/77/40/72/475774072.db2.gz WOGLNRKIZWGNGJ-INIZCTEOSA-N 1 3 332.467 2.766 10 30 EFEEHO CNC(NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1)=[NH+]C ZINC000363433151 476381608 /nfs/dbraw/zinc/38/16/08/476381608.db2.gz VWLNSNKLANREJT-DZGCQCFKSA-N 1 3 342.409 2.883 10 30 EFEEHO C#Cc1ccc(C[NH2+]CC2(N3CCCCC3)CCN(C)CC2)cc1 ZINC000377660558 476505954 /nfs/dbraw/zinc/50/59/54/476505954.db2.gz XVQVVHWVOUAJOH-UHFFFAOYSA-N 1 3 325.500 2.708 10 30 EFEEHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000445521933 476747512 /nfs/dbraw/zinc/74/75/12/476747512.db2.gz CIPCYFIBBUYDDH-UHFFFAOYSA-N 1 3 326.488 2.550 10 30 EFEEHO CN1CCC(C[NH2+]C2CCC(C)(C#N)CC2)(N2CCCCC2)CC1 ZINC000449171825 477470151 /nfs/dbraw/zinc/47/01/51/477470151.db2.gz UXYJIYYCHZPJKE-UHFFFAOYSA-N 1 3 332.536 2.999 10 30 EFEEHO C=CCOc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530247696 477880047 /nfs/dbraw/zinc/88/00/47/477880047.db2.gz CDDSLOZHLOVJGK-HXUWFJFHSA-N 1 3 330.472 2.842 10 30 EFEEHO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000516861386 477998439 /nfs/dbraw/zinc/99/84/39/477998439.db2.gz ASNDGUCLNLPBIS-KUQKPQIMSA-N 1 3 328.460 2.750 10 30 EFEEHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](N)CCCCC#N)c1 ZINC000594437688 478386888 /nfs/dbraw/zinc/38/68/88/478386888.db2.gz KSWLMEIRPCCBMT-GOSISDBHSA-N 1 3 330.476 2.554 10 30 EFEEHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](N)CCCCC#N)c1 ZINC000594437688 478386895 /nfs/dbraw/zinc/38/68/95/478386895.db2.gz KSWLMEIRPCCBMT-GOSISDBHSA-N 1 3 330.476 2.554 10 30 EFEEHO N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000594440708 478389114 /nfs/dbraw/zinc/38/91/14/478389114.db2.gz HVBQQLBOWRLLPZ-RBUKOAKNSA-N 1 3 342.487 2.569 10 30 EFEEHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc21 ZINC000594439556 478389378 /nfs/dbraw/zinc/38/93/78/478389378.db2.gz RYZSCWVTTFJPBV-KRWDZBQOSA-N 1 3 341.459 2.553 10 30 EFEEHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](N)CCCCC#N ZINC000594441309 478391370 /nfs/dbraw/zinc/39/13/70/478391370.db2.gz QSOHJZRQCWNULW-SFHVURJKSA-N 1 3 330.476 2.554 10 30 EFEEHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](N)CCCCC#N ZINC000594441309 478391372 /nfs/dbraw/zinc/39/13/72/478391372.db2.gz QSOHJZRQCWNULW-SFHVURJKSA-N 1 3 330.476 2.554 10 30 EFEEHO N#CC1(c2ccc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)cc2)CC1 ZINC000594921159 478585394 /nfs/dbraw/zinc/58/53/94/478585394.db2.gz FWDMZWJGQWLVLX-SFHVURJKSA-N 1 3 339.483 2.832 10 30 EFEEHO C=CCOc1ccccc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705271 481272954 /nfs/dbraw/zinc/27/29/54/481272954.db2.gz AVYRNTUORXNLPC-BJLQDIEVSA-N 1 3 330.472 2.970 10 30 EFEEHO C=CC[C@H]1CC[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000651693674 481908671 /nfs/dbraw/zinc/90/86/71/481908671.db2.gz ZLCDXLMYBLHEEU-RBUKOAKNSA-N 1 3 328.504 2.928 10 30 EFEEHO C=CC[C@@]1(C(=O)NCc2ccccc2CN2CCCCC2)CCC[NH2+]1 ZINC000662668985 481924292 /nfs/dbraw/zinc/92/42/92/481924292.db2.gz LSZBIQJDRLPAMH-NRFANRHFSA-N 1 3 341.499 2.987 10 30 EFEEHO C=CC[C@@]1(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCC[NH2+]1 ZINC000662698211 481940300 /nfs/dbraw/zinc/94/03/00/481940300.db2.gz JTMWWJQIJVGHOD-APWZRJJASA-N 1 3 347.528 2.775 10 30 EFEEHO C=CC[C@@]1(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662719615 481948226 /nfs/dbraw/zinc/94/82/26/481948226.db2.gz HOWAOFFXIDDERD-NRFANRHFSA-N 1 3 341.499 2.808 10 30 EFEEHO C=CC[C@]1(C(=O)N(CC)Cc2ccc(CN(C)C)cc2)CCC[NH2+]1 ZINC000662787952 481969387 /nfs/dbraw/zinc/96/93/87/481969387.db2.gz DADGYHBEXIKEMJ-HXUWFJFHSA-N 1 3 329.488 2.795 10 30 EFEEHO C[NH+]=C(NCCNC(C)(C)C)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000160960542 526361393 /nfs/dbraw/zinc/36/13/93/526361393.db2.gz ANQTVKSQIOICTO-OAHLLOKOSA-N 1 3 332.492 2.842 10 30 EFEEHO N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCN(Cc4ccccc4)C3)n2c1 ZINC000192928348 526694002 /nfs/dbraw/zinc/69/40/02/526694002.db2.gz DSYGLSXCRHMKJY-LJQANCHMSA-N 1 3 345.450 2.818 10 30 EFEEHO CCO[C@@H]1C[C@H](NC(NC2C[C@H]3CCC[C@@H](C2)N3C)=[NH+]C)C12CCC2 ZINC000246326128 535455082 /nfs/dbraw/zinc/45/50/82/535455082.db2.gz FXCORWZNALXWQD-OOHRUWKFSA-N 1 3 348.535 2.514 10 30 EFEEHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC/C=C/CCC)CC1 ZINC001691075520 1248363333 /nfs/dbraw/zinc/36/33/33/1248363333.db2.gz TYXPUYZHUDDRSO-AQKVLALTSA-N 1 3 345.531 2.611 10 30 EFEEHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC/C=C/CCC)CC1 ZINC001691075520 1248363345 /nfs/dbraw/zinc/36/33/45/1248363345.db2.gz TYXPUYZHUDDRSO-AQKVLALTSA-N 1 3 345.531 2.611 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001691170982 1248501398 /nfs/dbraw/zinc/50/13/98/1248501398.db2.gz KYGQUSRHQPTLJU-SFHVURJKSA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001691170982 1248501406 /nfs/dbraw/zinc/50/14/06/1248501406.db2.gz KYGQUSRHQPTLJU-SFHVURJKSA-N 1 3 347.547 2.596 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001691554657 1251768516 /nfs/dbraw/zinc/76/85/16/1251768516.db2.gz PXEGZXOSAYIHFZ-MOPGFXCFSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001691554657 1251768523 /nfs/dbraw/zinc/76/85/23/1251768523.db2.gz PXEGZXOSAYIHFZ-MOPGFXCFSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001484390669 1252499012 /nfs/dbraw/zinc/49/90/12/1252499012.db2.gz RKQZFIBIEZLVBA-FCGDIQPGSA-N 1 3 335.536 2.898 10 30 EFEEHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001484390669 1252499018 /nfs/dbraw/zinc/49/90/18/1252499018.db2.gz RKQZFIBIEZLVBA-FCGDIQPGSA-N 1 3 335.536 2.898 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001484455028 1252627746 /nfs/dbraw/zinc/62/77/46/1252627746.db2.gz HVRZZXXESOHGHT-QRVBRYPASA-N 1 3 333.520 2.891 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001484455028 1252627755 /nfs/dbraw/zinc/62/77/55/1252627755.db2.gz HVRZZXXESOHGHT-QRVBRYPASA-N 1 3 333.520 2.891 10 30 EFEEHO C=CCCC[NH2+]CC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001273018578 1265826987 /nfs/dbraw/zinc/82/69/87/1265826987.db2.gz MRQFKJUYXKRZEC-QAPCUYQASA-N 1 3 327.488 2.650 10 30 EFEEHO C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001485827533 1257000296 /nfs/dbraw/zinc/00/02/96/1257000296.db2.gz PLCLUDAWSRNRDE-APWZRJJASA-N 1 3 339.499 2.602 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001670918662 1258606970 /nfs/dbraw/zinc/60/69/70/1258606970.db2.gz LJSRZYYLYHECPB-LJQANCHMSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001670918662 1258606979 /nfs/dbraw/zinc/60/69/79/1258606979.db2.gz LJSRZYYLYHECPB-LJQANCHMSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCC[N@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001670989182 1259347385 /nfs/dbraw/zinc/34/73/85/1259347385.db2.gz LHAKWJUTSJCILG-UHFFFAOYSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001670989182 1259347391 /nfs/dbraw/zinc/34/73/91/1259347391.db2.gz LHAKWJUTSJCILG-UHFFFAOYSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001272825924 1261060954 /nfs/dbraw/zinc/06/09/54/1261060954.db2.gz LJQAFSISCYYYLZ-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001485921974 1262501519 /nfs/dbraw/zinc/50/15/19/1262501519.db2.gz FYKWQYMMKPCKKG-MAUKXSAKSA-N 1 3 327.488 2.602 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC2CCCC2)C(C)(C)C)CC1 ZINC001486424466 1263077470 /nfs/dbraw/zinc/07/74/70/1263077470.db2.gz NLJOPRQCCGKTGP-IBGZPJMESA-N 1 3 347.547 2.642 10 30 EFEEHO CC#CCN1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001486450077 1263142590 /nfs/dbraw/zinc/14/25/90/1263142590.db2.gz ANTBQGHYBVESOU-AZUAARDMSA-N 1 3 347.547 2.737 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]CCC2=CCCCC2)CC1 ZINC001273205391 1263220261 /nfs/dbraw/zinc/22/02/61/1263220261.db2.gz ZVAXCNNDXLFOPQ-SFHVURJKSA-N 1 3 345.531 2.707 10 30 EFEEHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)c(F)c1 ZINC001486524298 1263327505 /nfs/dbraw/zinc/32/75/05/1263327505.db2.gz XLLJVFNNCUZAEI-SFHVURJKSA-N 1 3 333.451 2.590 10 30 EFEEHO C=C(C)CC[NH2+]Cc1ccc(CNC(=O)C2(N(C)C)CCC2)c(F)c1 ZINC001486524316 1263328373 /nfs/dbraw/zinc/32/83/73/1263328373.db2.gz YEXXRUPUGAQCIJ-UHFFFAOYSA-N 1 3 347.478 2.982 10 30 EFEEHO C=CCN1CCC(NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)CC1 ZINC000872902604 1289454079 /nfs/dbraw/zinc/45/40/79/1289454079.db2.gz ONWJECJHZXLALX-UHFFFAOYSA-N 1 3 348.535 2.687 10 30 EFEEHO N#Cc1cc(Cl)cc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000903460675 1312715613 /nfs/dbraw/zinc/71/56/13/1312715613.db2.gz HMTMAORTQPWLEO-SZMVWBNQSA-N 1 3 333.863 2.930 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000876732291 1290994036 /nfs/dbraw/zinc/99/40/36/1290994036.db2.gz SDSVXGYGJHFKGT-MRXNPFEDSA-N 1 3 327.900 2.571 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000876732291 1290994043 /nfs/dbraw/zinc/99/40/43/1290994043.db2.gz SDSVXGYGJHFKGT-MRXNPFEDSA-N 1 3 327.900 2.571 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000876742576 1291000047 /nfs/dbraw/zinc/00/00/47/1291000047.db2.gz UXLIVPCSIKRTKU-IRXDYDNUSA-N 1 3 335.879 2.718 10 30 EFEEHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000876742576 1291000054 /nfs/dbraw/zinc/00/00/54/1291000054.db2.gz UXLIVPCSIKRTKU-IRXDYDNUSA-N 1 3 335.879 2.718 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000876752355 1291005432 /nfs/dbraw/zinc/00/54/32/1291005432.db2.gz MQOMVDYTSKWQQA-HOTGVXAUSA-N 1 3 327.900 2.571 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000876941330 1291080454 /nfs/dbraw/zinc/08/04/54/1291080454.db2.gz KHAWZURYLJXUSG-WBVHZDCISA-N 1 3 341.927 2.959 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000876941330 1291080458 /nfs/dbraw/zinc/08/04/58/1291080458.db2.gz KHAWZURYLJXUSG-WBVHZDCISA-N 1 3 341.927 2.959 10 30 EFEEHO C#CCCCCCN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000878089504 1291488619 /nfs/dbraw/zinc/48/86/19/1291488619.db2.gz HAPQYYGGSXHCRM-UHFFFAOYSA-N 1 3 327.516 2.930 10 30 EFEEHO C#CCCCCCN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000878089504 1291488624 /nfs/dbraw/zinc/48/86/24/1291488624.db2.gz HAPQYYGGSXHCRM-UHFFFAOYSA-N 1 3 327.516 2.930 10 30 EFEEHO C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001273599023 1292115986 /nfs/dbraw/zinc/11/59/86/1292115986.db2.gz MSFZZGJKDOSMTL-OALUTQOASA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001273599023 1292115989 /nfs/dbraw/zinc/11/59/89/1292115989.db2.gz MSFZZGJKDOSMTL-OALUTQOASA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCCC[N@@H+](CC)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001274955985 1296219872 /nfs/dbraw/zinc/21/98/72/1296219872.db2.gz UVJUIZIBPINMHC-SFHVURJKSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCCC[N@H+](CC)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001274955985 1296219879 /nfs/dbraw/zinc/21/98/79/1296219879.db2.gz UVJUIZIBPINMHC-SFHVURJKSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001489332795 1298185242 /nfs/dbraw/zinc/18/52/42/1298185242.db2.gz FOBKQHNHSAFOKJ-IBGZPJMESA-N 1 3 329.488 2.861 10 30 EFEEHO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001489332795 1298185245 /nfs/dbraw/zinc/18/52/45/1298185245.db2.gz FOBKQHNHSAFOKJ-IBGZPJMESA-N 1 3 329.488 2.861 10 30 EFEEHO OC1(CNCC#Cc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000397682080 1313610553 /nfs/dbraw/zinc/61/05/53/1313610553.db2.gz LZQDQRVVHLLMBD-UHFFFAOYSA-N 1 3 334.463 2.655 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000900535598 1308274768 /nfs/dbraw/zinc/27/47/68/1308274768.db2.gz RAAJFMWNRNZRJD-IBGZPJMESA-N 1 3 329.488 2.838 10 30 EFEEHO C#CCC[NH+]1CCC(NC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900797160 1308698050 /nfs/dbraw/zinc/69/80/50/1308698050.db2.gz BHJTXJPYJSBPMK-UHFFFAOYSA-N 1 3 338.455 2.508 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000900918247 1308932588 /nfs/dbraw/zinc/93/25/88/1308932588.db2.gz ORJCAUPBBBTVRN-IBGZPJMESA-N 1 3 329.488 2.617 10 30 EFEEHO C=CCC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@]1(C)CCCCO1 ZINC000902981606 1312258560 /nfs/dbraw/zinc/25/85/60/1312258560.db2.gz PSVOXDNPAQHPHO-AZUAARDMSA-N 1 3 337.552 2.896 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001277473881 1312400405 /nfs/dbraw/zinc/40/04/05/1312400405.db2.gz LNMGAZIUPAKTHW-QUCCMNQESA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001277473881 1312400406 /nfs/dbraw/zinc/40/04/06/1312400406.db2.gz LNMGAZIUPAKTHW-QUCCMNQESA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001278427366 1314574424 /nfs/dbraw/zinc/57/44/24/1314574424.db2.gz SFQGJBMDDIJTBM-OALUTQOASA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001278427366 1314574429 /nfs/dbraw/zinc/57/44/29/1314574429.db2.gz SFQGJBMDDIJTBM-OALUTQOASA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(C)CN(C)CCN(C(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001278926285 1315927057 /nfs/dbraw/zinc/92/70/57/1315927057.db2.gz GHEHLMLNLSYBOH-UHFFFAOYSA-N 1 3 335.536 2.853 10 30 EFEEHO C#CCC[NH2+]C[C@H](NC(=O)c1cccc(CN(C)C)c1)C(C)(C)C ZINC001279034501 1316086281 /nfs/dbraw/zinc/08/62/81/1316086281.db2.gz MQEITVPZIKAJNZ-SFHVURJKSA-N 1 3 329.488 2.506 10 30 EFEEHO CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001264496980 1316620916 /nfs/dbraw/zinc/62/09/16/1316620916.db2.gz IIFFXHOMWNETHJ-RBUKOAKNSA-N 1 3 347.547 2.833 10 30 EFEEHO C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265624101 1316837342 /nfs/dbraw/zinc/83/73/42/1316837342.db2.gz LAZURKDHIRBVTM-LPHOPBHVSA-N 1 3 339.499 2.603 10 30 EFEEHO CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001265697473 1316858378 /nfs/dbraw/zinc/85/83/78/1316858378.db2.gz SPSQFRRWODWQGJ-RTBURBONSA-N 1 3 333.520 2.587 10 30 EFEEHO CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001265697473 1316858380 /nfs/dbraw/zinc/85/83/80/1316858380.db2.gz SPSQFRRWODWQGJ-RTBURBONSA-N 1 3 333.520 2.587 10 30 EFEEHO CC#CCN1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001265702857 1316860857 /nfs/dbraw/zinc/86/08/57/1316860857.db2.gz ISYYZBRZFHKMFF-ROUUACIJSA-N 1 3 347.547 2.879 10 30 EFEEHO CC#CCN1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001265702857 1316860860 /nfs/dbraw/zinc/86/08/60/1316860860.db2.gz ISYYZBRZFHKMFF-ROUUACIJSA-N 1 3 347.547 2.879 10 30 EFEEHO CC#CCN1CCC[C@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265705928 1316863425 /nfs/dbraw/zinc/86/34/25/1316863425.db2.gz ORMGBMPSEDMJPR-OALUTQOASA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)NC2CCC([NH2+]CCCCC)CC2)CC1 ZINC001265744248 1316870543 /nfs/dbraw/zinc/87/05/43/1316870543.db2.gz ABPXMKBTVYZJCO-UHFFFAOYSA-N 1 3 333.520 2.539 10 30 EFEEHO C=CCC[NH2+]C[C@](C)(NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001318715740 1328676093 /nfs/dbraw/zinc/67/60/93/1328676093.db2.gz WTIJYJFEGBXINC-OALUTQOASA-N 1 3 339.499 2.650 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CC2CCC(C)CC2)CC1 ZINC001266191398 1317135829 /nfs/dbraw/zinc/13/58/29/1317135829.db2.gz BLUACYUNARGUJO-XBMUEBEBSA-N 1 3 347.547 2.642 10 30 EFEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001266215009 1317155535 /nfs/dbraw/zinc/15/55/35/1317155535.db2.gz HHAAWBRBCKUFQU-IXDOHACOSA-N 1 3 341.927 2.830 10 30 EFEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001266215009 1317155541 /nfs/dbraw/zinc/15/55/41/1317155541.db2.gz HHAAWBRBCKUFQU-IXDOHACOSA-N 1 3 341.927 2.830 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001280252878 1317487598 /nfs/dbraw/zinc/48/75/98/1317487598.db2.gz YFTFVQXDNREIDV-INIZCTEOSA-N 1 3 341.927 2.688 10 30 EFEEHO C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001280889107 1317879778 /nfs/dbraw/zinc/87/97/78/1317879778.db2.gz JVWJASNBTZRLBS-RTBURBONSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001280889107 1317879787 /nfs/dbraw/zinc/87/97/87/1317879787.db2.gz JVWJASNBTZRLBS-RTBURBONSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCN1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001281299687 1318156057 /nfs/dbraw/zinc/15/60/57/1318156057.db2.gz PRVFLDCBXNWJJU-IBGZPJMESA-N 1 3 329.488 2.781 10 30 EFEEHO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001281980416 1318647031 /nfs/dbraw/zinc/64/70/31/1318647031.db2.gz IGHGLEJYWFCTFU-LJQANCHMSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001281980416 1318647036 /nfs/dbraw/zinc/64/70/36/1318647036.db2.gz IGHGLEJYWFCTFU-LJQANCHMSA-N 1 3 335.536 2.853 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CCC2CCCCC2)CC1 ZINC001282497830 1318973260 /nfs/dbraw/zinc/97/32/60/1318973260.db2.gz REAWRGNMSWUXHS-SFHVURJKSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCC2CCCCC2)CC1 ZINC001282497830 1318973266 /nfs/dbraw/zinc/97/32/66/1318973266.db2.gz REAWRGNMSWUXHS-SFHVURJKSA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCN1CCCCC[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001282674494 1319065174 /nfs/dbraw/zinc/06/51/74/1319065174.db2.gz FHKYGWGEHWGSEY-QFBILLFUSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCN1CCCCC[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001282674494 1319065183 /nfs/dbraw/zinc/06/51/83/1319065183.db2.gz FHKYGWGEHWGSEY-QFBILLFUSA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001282834792 1319152430 /nfs/dbraw/zinc/15/24/30/1319152430.db2.gz VZQUEEUGBYNPOQ-ROUUACIJSA-N 1 3 335.536 2.900 10 30 EFEEHO C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001282834792 1319152434 /nfs/dbraw/zinc/15/24/34/1319152434.db2.gz VZQUEEUGBYNPOQ-ROUUACIJSA-N 1 3 335.536 2.900 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CCC2CCCCC2)CC1 ZINC001319284687 1328831385 /nfs/dbraw/zinc/83/13/85/1328831385.db2.gz IEENCJWCZFEKDL-SFHVURJKSA-N 1 3 347.547 2.644 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC/C=C/CC)[C@H]2C)CC1 ZINC001284155753 1320242055 /nfs/dbraw/zinc/24/20/55/1320242055.db2.gz WGFLKZQIHHVOLQ-KQPGTDLCSA-N 1 3 345.531 2.657 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC/C=C/CC)[C@H]2C)CC1 ZINC001284155753 1320242058 /nfs/dbraw/zinc/24/20/58/1320242058.db2.gz WGFLKZQIHHVOLQ-KQPGTDLCSA-N 1 3 345.531 2.657 10 30 EFEEHO C=CCC[NH2+][C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001319943708 1329040940 /nfs/dbraw/zinc/04/09/40/1329040940.db2.gz LBKWIMFBZGFJJE-YJBOKZPZSA-N 1 3 327.488 2.505 10 30 EFEEHO C=CCC[NH2+][C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001319943693 1329041192 /nfs/dbraw/zinc/04/11/92/1329041192.db2.gz LBKWIMFBZGFJJE-CRAIPNDOSA-N 1 3 327.488 2.505 10 30 EFEEHO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCCCCC)CC[C@H]21 ZINC001320112815 1329084185 /nfs/dbraw/zinc/08/41/85/1329084185.db2.gz WAAOFAMZSUKQGC-RBUKOAKNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCCCCC)CC[C@H]21 ZINC001320112815 1329084194 /nfs/dbraw/zinc/08/41/94/1329084194.db2.gz WAAOFAMZSUKQGC-RBUKOAKNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001320549458 1329160454 /nfs/dbraw/zinc/16/04/54/1329160454.db2.gz RXJUSVWFYUNMEW-YJBOKZPZSA-N 1 3 327.488 2.650 10 30 EFEEHO C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001320549450 1329160190 /nfs/dbraw/zinc/16/01/90/1329160190.db2.gz RXJUSVWFYUNMEW-CRAIPNDOSA-N 1 3 327.488 2.650 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001316761825 1325115525 /nfs/dbraw/zinc/11/55/25/1325115525.db2.gz ZWQFYXARKJCWPX-MOPGFXCFSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001316761825 1325115536 /nfs/dbraw/zinc/11/55/36/1325115536.db2.gz ZWQFYXARKJCWPX-MOPGFXCFSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001321248253 1329363000 /nfs/dbraw/zinc/36/30/00/1329363000.db2.gz ACHTZWBCRZITCF-XERWZBGXSA-N 1 3 339.499 2.816 10 30 EFEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317436615 1328025530 /nfs/dbraw/zinc/02/55/30/1328025530.db2.gz ZCGCEKKTOGRLCX-HZPDHXFCSA-N 1 3 329.916 2.686 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001317471964 1328060056 /nfs/dbraw/zinc/06/00/56/1328060056.db2.gz SGDJDJMNNGYZKA-RTBURBONSA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001317471964 1328060062 /nfs/dbraw/zinc/06/00/62/1328060062.db2.gz SGDJDJMNNGYZKA-RTBURBONSA-N 1 3 347.547 2.596 10 30 EFEEHO C#CC[NH2+][C@H](CNC(=O)[C@@H](c1ccccc1)N(C)CC)c1ccccc1 ZINC001317727776 1328337742 /nfs/dbraw/zinc/33/77/42/1328337742.db2.gz XQOUJKQVBTVMEC-NHCUHLMSSA-N 1 3 349.478 2.760 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1nc[nH]c1C)C2 ZINC001325630551 1329702529 /nfs/dbraw/zinc/70/25/29/1329702529.db2.gz VJCYYDCLQQENNH-OWLYRPNTSA-N 1 3 344.503 2.975 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1nc[nH]c1C)C2 ZINC001325630551 1329702531 /nfs/dbraw/zinc/70/25/31/1329702531.db2.gz VJCYYDCLQQENNH-OWLYRPNTSA-N 1 3 344.503 2.975 10 30 EFEEHO C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001325740884 1329709905 /nfs/dbraw/zinc/70/99/05/1329709905.db2.gz QJMLFGYGZFBVOO-HDICACEKSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001325740884 1329709906 /nfs/dbraw/zinc/70/99/06/1329709906.db2.gz QJMLFGYGZFBVOO-HDICACEKSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001325920807 1329725002 /nfs/dbraw/zinc/72/50/02/1329725002.db2.gz MYPYPBAUODQNDI-HOTGVXAUSA-N 1 3 330.476 2.719 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001325920807 1329725003 /nfs/dbraw/zinc/72/50/03/1329725003.db2.gz MYPYPBAUODQNDI-HOTGVXAUSA-N 1 3 330.476 2.719 10 30 EFEEHO C#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001327505480 1330489533 /nfs/dbraw/zinc/48/95/33/1330489533.db2.gz CSYLRBAJPJUBMU-FQEVSTJZSA-N 1 3 347.547 2.883 10 30 EFEEHO C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001329110842 1330668469 /nfs/dbraw/zinc/66/84/69/1330668469.db2.gz QHYLCOGYQJDUPZ-HZPDHXFCSA-N 1 3 349.906 2.516 10 30 EFEEHO CC#CCN1CCCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001329940518 1330754205 /nfs/dbraw/zinc/75/42/05/1330754205.db2.gz XVPXLRLWAXXOKY-LJQANCHMSA-N 1 3 347.547 2.883 10 30 EFEEHO C=CCCC[C@H](N)C(=O)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 ZINC001341221419 1332243777 /nfs/dbraw/zinc/24/37/77/1332243777.db2.gz XXONHKCWJHSIKN-DLBZAZTESA-N 1 3 343.471 2.514 10 30 EFEEHO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2c(s1)CNCC2)C(C)C ZINC001341661039 1332274415 /nfs/dbraw/zinc/27/44/15/1332274415.db2.gz BBFXSJCALGEAQF-INIZCTEOSA-N 1 3 347.528 2.822 10 30 EFEEHO C=C(Cl)CN1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001366703065 1337893642 /nfs/dbraw/zinc/89/36/42/1337893642.db2.gz FZPBZXUKWDCPGI-AEFFLSMTSA-N 1 3 349.906 2.870 10 30 EFEEHO C=C(Cl)CN1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001366703065 1337893650 /nfs/dbraw/zinc/89/36/50/1337893650.db2.gz FZPBZXUKWDCPGI-AEFFLSMTSA-N 1 3 349.906 2.870 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001367161378 1338460420 /nfs/dbraw/zinc/46/04/20/1338460420.db2.gz QHKHTVYVYVTPNY-HOTGVXAUSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001367321188 1338618668 /nfs/dbraw/zinc/61/86/68/1338618668.db2.gz DFLMVHCCGSYGAD-JKSUJKDBSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCC1 ZINC001367321188 1338618671 /nfs/dbraw/zinc/61/86/71/1338618671.db2.gz DFLMVHCCGSYGAD-JKSUJKDBSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001380175994 1347550203 /nfs/dbraw/zinc/55/02/03/1347550203.db2.gz QIRJSRBWFWRXFC-OFLPRAFFSA-N 1 3 341.927 2.828 10 30 EFEEHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001380788249 1347878991 /nfs/dbraw/zinc/87/89/91/1347878991.db2.gz FDZDHAMWUKCTGQ-WKILWMFISA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CNC[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001390148925 1353863172 /nfs/dbraw/zinc/86/31/72/1353863172.db2.gz GUKMWMBRQKVFHK-DLBZAZTESA-N 1 3 341.927 2.973 10 30 EFEEHO C=C(Cl)CNC[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001390148925 1353863177 /nfs/dbraw/zinc/86/31/77/1353863177.db2.gz GUKMWMBRQKVFHK-DLBZAZTESA-N 1 3 341.927 2.973 10 30 EFEEHO C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CN(C)C(C)C)CCCC[C@@H]1C ZINC001391812065 1355554884 /nfs/dbraw/zinc/55/48/84/1355554884.db2.gz QNMRYDIXLAOHHR-YOEHRIQHSA-N 1 3 329.916 2.734 10 30 EFEEHO C=C(Cl)C[NH2+]C[C@]1(NC(=O)CN(C)C(C)C)CCCC[C@H]1C ZINC001391812056 1355554947 /nfs/dbraw/zinc/55/49/47/1355554947.db2.gz QNMRYDIXLAOHHR-RHSMWYFYSA-N 1 3 329.916 2.734 10 30 EFEEHO C=C(Cl)CNC[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CCCC1 ZINC001393074194 1356563571 /nfs/dbraw/zinc/56/35/71/1356563571.db2.gz UQNNBLLECSGDNL-IAGOWNOFSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CNC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CCCC1 ZINC001393074194 1356563573 /nfs/dbraw/zinc/56/35/73/1356563573.db2.gz UQNNBLLECSGDNL-IAGOWNOFSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CNC[C@](C)(NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001401072345 1362412764 /nfs/dbraw/zinc/41/27/64/1362412764.db2.gz JCWZMMPCUSTEHD-QAPCUYQASA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001402386134 1363642492 /nfs/dbraw/zinc/64/24/92/1363642492.db2.gz UYCMONZWDLCUCY-DLBZAZTESA-N 1 3 341.927 2.734 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001402386141 1363642949 /nfs/dbraw/zinc/64/29/49/1363642949.db2.gz UYCMONZWDLCUCY-IAGOWNOFSA-N 1 3 341.927 2.734 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001406043514 1367136764 /nfs/dbraw/zinc/13/67/64/1367136764.db2.gz QVAXBTVLFNFGNN-DLBZAZTESA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001406043514 1367136771 /nfs/dbraw/zinc/13/67/71/1367136771.db2.gz QVAXBTVLFNFGNN-DLBZAZTESA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001408105583 1369611288 /nfs/dbraw/zinc/61/12/88/1369611288.db2.gz GPYDNMXUUOFCRQ-OAHLLOKOSA-N 1 3 327.900 2.584 10 30 EFEEHO C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001420161139 1376519726 /nfs/dbraw/zinc/51/97/26/1376519726.db2.gz WEMZZTYVHONUJU-NXHRZFHOSA-N 1 3 349.906 2.569 10 30 EFEEHO C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001420161139 1376519734 /nfs/dbraw/zinc/51/97/34/1376519734.db2.gz WEMZZTYVHONUJU-NXHRZFHOSA-N 1 3 349.906 2.569 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001422119507 1379639073 /nfs/dbraw/zinc/63/90/73/1379639073.db2.gz KRIMAXREWFJDAB-HZPDHXFCSA-N 1 3 329.916 2.591 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001422119507 1379639080 /nfs/dbraw/zinc/63/90/80/1379639080.db2.gz KRIMAXREWFJDAB-HZPDHXFCSA-N 1 3 329.916 2.591 10 30 EFEEHO C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001424383785 1382974908 /nfs/dbraw/zinc/97/49/08/1382974908.db2.gz SOTUOOPBUYCKNG-OAHLLOKOSA-N 1 3 329.916 2.686 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001438828104 1388844995 /nfs/dbraw/zinc/84/49/95/1388844995.db2.gz LVCCOBGEYAGLBY-WMLDXEAASA-N 1 3 347.906 2.682 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001438828104 1388844998 /nfs/dbraw/zinc/84/49/98/1388844998.db2.gz LVCCOBGEYAGLBY-WMLDXEAASA-N 1 3 347.906 2.682 10 30 EFEEHO C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001439414542 1389270014 /nfs/dbraw/zinc/27/00/14/1389270014.db2.gz BMEPVUDVJOLFCO-HZPDHXFCSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001439414541 1389270252 /nfs/dbraw/zinc/27/02/52/1389270252.db2.gz BMEPVUDVJOLFCO-HOTGVXAUSA-N 1 3 341.927 2.878 10 30 EFEEHO C=CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC001506868282 1406383043 /nfs/dbraw/zinc/38/30/43/1406383043.db2.gz HNRXDVGSVXEARE-BGYRXZFFSA-N 1 3 344.503 2.869 10 30 EFEEHO C=CCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC001506868282 1406383055 /nfs/dbraw/zinc/38/30/55/1406383055.db2.gz HNRXDVGSVXEARE-BGYRXZFFSA-N 1 3 344.503 2.869 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC001507296587 1406861225 /nfs/dbraw/zinc/86/12/25/1406861225.db2.gz JQDCOMCAQPVICL-VQIMIIECSA-N 1 3 329.488 2.907 10 30 EFEEHO C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001479241980 1397634563 /nfs/dbraw/zinc/63/45/63/1397634563.db2.gz TZEJLCKMJGWTOJ-FHWLQOOXSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001479241980 1397634565 /nfs/dbraw/zinc/63/45/65/1397634565.db2.gz TZEJLCKMJGWTOJ-FHWLQOOXSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001479246302 1397638889 /nfs/dbraw/zinc/63/88/89/1397638889.db2.gz MQNWGYVFCMCIFX-LPHOPBHVSA-N 1 3 339.499 2.698 10 30 EFEEHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001479246302 1397638891 /nfs/dbraw/zinc/63/88/91/1397638891.db2.gz MQNWGYVFCMCIFX-LPHOPBHVSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001479501148 1397738499 /nfs/dbraw/zinc/73/84/99/1397738499.db2.gz JSVICMUAOQMMPZ-INIZCTEOSA-N 1 3 330.476 2.621 10 30 EFEEHO CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001479502315 1397739193 /nfs/dbraw/zinc/73/91/93/1397739193.db2.gz NPIZPENPAXLJKG-GOSISDBHSA-N 1 3 347.547 2.691 10 30 EFEEHO CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001479502318 1397739296 /nfs/dbraw/zinc/73/92/96/1397739296.db2.gz NPIZPENPAXLJKG-SFHVURJKSA-N 1 3 347.547 2.691 10 30 EFEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001479739327 1397792816 /nfs/dbraw/zinc/79/28/16/1397792816.db2.gz VHZTZUNYKXOKJZ-IBGZPJMESA-N 1 3 333.520 2.607 10 30 EFEEHO C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001479833810 1397928842 /nfs/dbraw/zinc/92/88/42/1397928842.db2.gz LMWAJAQXLJXQKV-VQIMIIECSA-N 1 3 329.488 2.907 10 30 EFEEHO C=CCC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001493891614 1398957828 /nfs/dbraw/zinc/95/78/28/1398957828.db2.gz DORUHCFQBVHWPQ-SFHVURJKSA-N 1 3 329.488 2.884 10 30 EFEEHO CC[C@H](CNC(=O)CCC[NH+](C)C)NCC#Cc1cccc(Cl)c1 ZINC001495050342 1399627112 /nfs/dbraw/zinc/62/71/12/1399627112.db2.gz LZTIOOZRMNCOAW-GOSISDBHSA-N 1 3 349.906 2.518 10 30 EFEEHO CC[C@H](CNC(=O)CCC[NH+](C)C)NCC#Cc1ccc(Cl)cc1 ZINC001495051471 1399628402 /nfs/dbraw/zinc/62/84/02/1399628402.db2.gz RUROIDFGHFGFSN-GOSISDBHSA-N 1 3 349.906 2.518 10 30 EFEEHO C=C(C)C[NH2+]C[C@](C)(NC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001495302708 1399812648 /nfs/dbraw/zinc/81/26/48/1399812648.db2.gz KONXJTXFHJYVEC-FQEVSTJZSA-N 1 3 329.488 2.812 10 30 EFEEHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001495495754 1400029249 /nfs/dbraw/zinc/02/92/49/1400029249.db2.gz GZICOZHMXBRDCJ-IBGZPJMESA-N 1 3 329.488 2.841 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001495598826 1400105952 /nfs/dbraw/zinc/10/59/52/1400105952.db2.gz LGZCJFGOZRWQDV-ZWKOTPCHSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001495598826 1400105957 /nfs/dbraw/zinc/10/59/57/1400105957.db2.gz LGZCJFGOZRWQDV-ZWKOTPCHSA-N 1 3 333.520 2.750 10 30 EFEEHO C=C(Cl)CNCCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001498613373 1402202343 /nfs/dbraw/zinc/20/23/43/1402202343.db2.gz CWJAQIABCZJIDU-MSOLQXFVSA-N 1 3 349.906 2.522 10 30 EFEEHO C=C(Cl)CNCCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001498613373 1402202351 /nfs/dbraw/zinc/20/23/51/1402202351.db2.gz CWJAQIABCZJIDU-MSOLQXFVSA-N 1 3 349.906 2.522 10 30 EFEEHO CC#CCN1CCC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001499576583 1402694485 /nfs/dbraw/zinc/69/44/85/1402694485.db2.gz LRFXKFYRXSAIIZ-NRFANRHFSA-N 1 3 345.531 2.590 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C)CC[NH+](CCCCCC)CC2)CC1 ZINC001500012932 1402900813 /nfs/dbraw/zinc/90/08/13/1402900813.db2.gz ORNVHMMQAAXFMD-UHFFFAOYSA-N 1 3 347.547 2.883 10 30 EFEEHO CC#CCN1CCC(C2(NC(=O)CCCC[NH+]3CCCC3)CC2)CC1 ZINC001508162182 1407322804 /nfs/dbraw/zinc/32/28/04/1407322804.db2.gz LDFVGWUODAWYGD-UHFFFAOYSA-N 1 3 345.531 2.637 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1CC ZINC001501018453 1403407062 /nfs/dbraw/zinc/40/70/62/1403407062.db2.gz CHBCGJVTYOYWSU-SLFFLAALSA-N 1 3 343.515 2.912 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1CC ZINC001501018453 1403407065 /nfs/dbraw/zinc/40/70/65/1403407065.db2.gz CHBCGJVTYOYWSU-SLFFLAALSA-N 1 3 343.515 2.912 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1CC ZINC001501018456 1403407136 /nfs/dbraw/zinc/40/71/36/1403407136.db2.gz CHBCGJVTYOYWSU-XUVXKRRUSA-N 1 3 343.515 2.912 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1CC ZINC001501018456 1403407138 /nfs/dbraw/zinc/40/71/38/1403407138.db2.gz CHBCGJVTYOYWSU-XUVXKRRUSA-N 1 3 343.515 2.912 10 30 EFEEHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C2 ZINC001501169897 1403473391 /nfs/dbraw/zinc/47/33/91/1403473391.db2.gz IEEWFDLYFRRKNM-AKHDSKFASA-N 1 3 333.520 2.654 10 30 EFEEHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C2 ZINC001501169897 1403473392 /nfs/dbraw/zinc/47/33/92/1403473392.db2.gz IEEWFDLYFRRKNM-AKHDSKFASA-N 1 3 333.520 2.654 10 30 EFEEHO C=C(Cl)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+](C)C)C2 ZINC001501172442 1403475361 /nfs/dbraw/zinc/47/53/61/1403475361.db2.gz WTFOTUPZVKKORW-BJWYYQGGSA-N 1 3 341.927 2.830 10 30 EFEEHO C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCCN1C(C)C ZINC001501197278 1403487889 /nfs/dbraw/zinc/48/78/89/1403487889.db2.gz GVSQLFKFADYNCB-HXUWFJFHSA-N 1 3 341.499 2.501 10 30 EFEEHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)C2(N(C)C)CCC2)c(F)c1 ZINC001508234466 1407370881 /nfs/dbraw/zinc/37/08/81/1407370881.db2.gz AKPSBGINWYYASU-UHFFFAOYSA-N 1 3 333.451 2.592 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001502545673 1404234990 /nfs/dbraw/zinc/23/49/90/1404234990.db2.gz FKBFJCWRGOYSNW-UYAOXDASSA-N 1 3 333.520 2.609 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001502545673 1404234997 /nfs/dbraw/zinc/23/49/97/1404234997.db2.gz FKBFJCWRGOYSNW-UYAOXDASSA-N 1 3 333.520 2.609 10 30 EFEEHO C=CCCCN1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cc2C1 ZINC001502648057 1404280873 /nfs/dbraw/zinc/28/08/73/1404280873.db2.gz DHTGITIRWRJVBY-OXQOHEQNSA-N 1 3 341.499 2.925 10 30 EFEEHO C=CCCCN1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cc2C1 ZINC001502648057 1404280878 /nfs/dbraw/zinc/28/08/78/1404280878.db2.gz DHTGITIRWRJVBY-OXQOHEQNSA-N 1 3 341.499 2.925 10 30 EFEEHO C=CCCN1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2C1 ZINC001502650979 1404284359 /nfs/dbraw/zinc/28/43/59/1404284359.db2.gz UBAQWBIYCLCGTA-UHFFFAOYSA-N 1 3 327.472 2.536 10 30 EFEEHO CC#CCN1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001502830011 1404381807 /nfs/dbraw/zinc/38/18/07/1404381807.db2.gz CHHSFMAXZNFVAF-LJQANCHMSA-N 1 3 347.547 2.881 10 30 EFEEHO CC#CCN1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001502830011 1404381810 /nfs/dbraw/zinc/38/18/10/1404381810.db2.gz CHHSFMAXZNFVAF-LJQANCHMSA-N 1 3 347.547 2.881 10 30 EFEEHO C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001503473281 1404485635 /nfs/dbraw/zinc/48/56/35/1404485635.db2.gz KIQKNUWCQYNMOA-MAUKXSAKSA-N 1 3 327.488 2.650 10 30 EFEEHO C=C(C)CCN1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)C ZINC001503678298 1404497847 /nfs/dbraw/zinc/49/78/47/1404497847.db2.gz OCWQWICVDMVJMV-IBGZPJMESA-N 1 3 329.488 2.620 10 30 EFEEHO C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001505446985 1404640293 /nfs/dbraw/zinc/64/02/93/1404640293.db2.gz WUWZMCIFXQSBNY-LPHOPBHVSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001505446985 1404640308 /nfs/dbraw/zinc/64/03/08/1404640308.db2.gz WUWZMCIFXQSBNY-LPHOPBHVSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001505465854 1404692187 /nfs/dbraw/zinc/69/21/87/1404692187.db2.gz NLBFZZASIFKTOE-IBGZPJMESA-N 1 3 329.488 2.861 10 30 EFEEHO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001505465854 1404692198 /nfs/dbraw/zinc/69/21/98/1404692198.db2.gz NLBFZZASIFKTOE-IBGZPJMESA-N 1 3 329.488 2.861 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCCC2CCCC2)CC1 ZINC001506064825 1405423918 /nfs/dbraw/zinc/42/39/18/1405423918.db2.gz DFBMBUQFCHNCPZ-GOSISDBHSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCCC2CCCC2)CC1 ZINC001506064825 1405423927 /nfs/dbraw/zinc/42/39/27/1405423927.db2.gz DFBMBUQFCHNCPZ-GOSISDBHSA-N 1 3 347.547 2.739 10 30 EFEEHO CC#CCN1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001506588732 1406014311 /nfs/dbraw/zinc/01/43/11/1406014311.db2.gz ZCJXRAGOPSIZID-IBGZPJMESA-N 1 3 333.520 2.637 10 30 EFEEHO C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001565908708 1415448186 /nfs/dbraw/zinc/44/81/86/1415448186.db2.gz WOEWPJWARYUNPI-FCEWJHQRSA-N 1 3 339.499 2.650 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)CCC)C(C)(C)[C@H]21 ZINC001565994393 1415474224 /nfs/dbraw/zinc/47/42/24/1415474224.db2.gz FYFGWAMWNBRVRG-QRQLOZEOSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)CCC)C(C)(C)[C@H]21 ZINC001565994393 1415474225 /nfs/dbraw/zinc/47/42/25/1415474225.db2.gz FYFGWAMWNBRVRG-QRQLOZEOSA-N 1 3 335.536 2.900 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001566632552 1415707521 /nfs/dbraw/zinc/70/75/21/1415707521.db2.gz AHLONKPPQWWVDC-IBGZPJMESA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001566632552 1415707527 /nfs/dbraw/zinc/70/75/27/1415707527.db2.gz AHLONKPPQWWVDC-IBGZPJMESA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCN1CCC(N(CCC)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001566697701 1415737862 /nfs/dbraw/zinc/73/78/62/1415737862.db2.gz KJIGNROENZKFKL-HKUYNNGSSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCN1CCC(N(CCC)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001566697701 1415737864 /nfs/dbraw/zinc/73/78/64/1415737864.db2.gz KJIGNROENZKFKL-HKUYNNGSSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566878473 1415819422 /nfs/dbraw/zinc/81/94/22/1415819422.db2.gz QVPHKXQLYKVDFC-APWZRJJASA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566878473 1415819426 /nfs/dbraw/zinc/81/94/26/1415819426.db2.gz QVPHKXQLYKVDFC-APWZRJJASA-N 1 3 339.499 2.603 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCC(C)C)C2)CC1 ZINC001567178994 1415973648 /nfs/dbraw/zinc/97/36/48/1415973648.db2.gz ULDAIYIKDOETPS-WOJBJXKFSA-N 1 3 347.547 2.785 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001567409391 1416123296 /nfs/dbraw/zinc/12/32/96/1416123296.db2.gz GWPQKKCLRINRPI-QFBILLFUSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001567409391 1416123298 /nfs/dbraw/zinc/12/32/98/1416123298.db2.gz GWPQKKCLRINRPI-QFBILLFUSA-N 1 3 339.499 2.603 10 30 EFEEHO C#CCC[NH2+][C@H](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001567634285 1416219124 /nfs/dbraw/zinc/21/91/24/1416219124.db2.gz LXZOXGMBSPMPOA-QGZVFWFLSA-N 1 3 341.499 2.602 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001567665777 1416237890 /nfs/dbraw/zinc/23/78/90/1416237890.db2.gz LNKWCVCBSLYMAV-LJQANCHMSA-N 1 3 329.488 2.886 10 30 EFEEHO C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001567685213 1416246724 /nfs/dbraw/zinc/24/67/24/1416246724.db2.gz BJUBWDYRKBIGGY-OALUTQOASA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001567685213 1416246728 /nfs/dbraw/zinc/24/67/28/1416246728.db2.gz BJUBWDYRKBIGGY-OALUTQOASA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001567685214 1416247408 /nfs/dbraw/zinc/24/74/08/1416247408.db2.gz BJUBWDYRKBIGGY-RBUKOAKNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001567685214 1416247410 /nfs/dbraw/zinc/24/74/10/1416247410.db2.gz BJUBWDYRKBIGGY-RBUKOAKNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CC[NH2+]CC[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001568075806 1416397528 /nfs/dbraw/zinc/39/75/28/1416397528.db2.gz IUETXLHDGYONJS-KRWDZBQOSA-N 1 3 329.488 2.766 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001568154974 1416427346 /nfs/dbraw/zinc/42/73/46/1416427346.db2.gz BKJZPJMSEKPHID-MOPGFXCFSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001568154974 1416427349 /nfs/dbraw/zinc/42/73/49/1416427349.db2.gz BKJZPJMSEKPHID-MOPGFXCFSA-N 1 3 347.547 2.997 10 30 EFEEHO C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001568336216 1416481159 /nfs/dbraw/zinc/48/11/59/1416481159.db2.gz OTVDRLTXISTCJQ-APWZRJJASA-N 1 3 341.515 2.896 10 30 EFEEHO C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001568336217 1416481178 /nfs/dbraw/zinc/48/11/78/1416481178.db2.gz OTVDRLTXISTCJQ-LPHOPBHVSA-N 1 3 341.515 2.896 10 30 EFEEHO C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001699672804 1417446048 /nfs/dbraw/zinc/44/60/48/1417446048.db2.gz FITVQLMJEFABSQ-VQTJNVASSA-N 1 3 345.531 2.589 10 30 EFEEHO C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001699672802 1417446303 /nfs/dbraw/zinc/44/63/03/1417446303.db2.gz FITVQLMJEFABSQ-PMACEKPBSA-N 1 3 345.531 2.589 10 30 EFEEHO C#CCN(C(=O)CN1CCC(C)CC1)C1CC[NH+](CC=C(C)C)CC1 ZINC001699785196 1417468744 /nfs/dbraw/zinc/46/87/44/1417468744.db2.gz HMFNBIPQDNUFRY-UHFFFAOYSA-N 1 3 345.531 2.611 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001700089860 1417561770 /nfs/dbraw/zinc/56/17/70/1417561770.db2.gz CKYLROYQNNUEJI-WOJBJXKFSA-N 1 3 341.499 2.938 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001700089860 1417561772 /nfs/dbraw/zinc/56/17/72/1417561772.db2.gz CKYLROYQNNUEJI-WOJBJXKFSA-N 1 3 341.499 2.938 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CCCC=C)C2)CC1 ZINC001713278688 1418448502 /nfs/dbraw/zinc/44/85/02/1418448502.db2.gz HDJPCKKXFQUUFZ-QUCCMNQESA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CCCC=C)C2)CC1 ZINC001713278688 1418448505 /nfs/dbraw/zinc/44/85/05/1418448505.db2.gz HDJPCKKXFQUUFZ-QUCCMNQESA-N 1 3 345.531 2.515 10 30 EFEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001713435833 1418528892 /nfs/dbraw/zinc/52/88/92/1418528892.db2.gz YWCISFKRIZRAIM-INIZCTEOSA-N 1 3 339.911 2.728 10 30 EFEEHO CCCCCCC[NH+]1CC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001715315992 1418663538 /nfs/dbraw/zinc/66/35/38/1418663538.db2.gz GIICHOIHOXEKSZ-UHFFFAOYSA-N 1 3 335.536 2.977 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001716706517 1418965782 /nfs/dbraw/zinc/96/57/82/1418965782.db2.gz QSJLEAKWFZGOQD-MOPGFXCFSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001716706517 1418965784 /nfs/dbraw/zinc/96/57/84/1418965784.db2.gz QSJLEAKWFZGOQD-MOPGFXCFSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](C[C@@H](C)CC)C2)CC1 ZINC001716903145 1419088545 /nfs/dbraw/zinc/08/85/45/1419088545.db2.gz XXWRYAZLFPCFKD-RXVVDRJESA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@]2(C)CCC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001716903145 1419088550 /nfs/dbraw/zinc/08/85/50/1419088550.db2.gz XXWRYAZLFPCFKD-RXVVDRJESA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001717115414 1419219349 /nfs/dbraw/zinc/21/93/49/1419219349.db2.gz LQORTMOQFVGYRE-KRWDZBQOSA-N 1 3 341.499 2.851 10 30 EFEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001717115868 1419220219 /nfs/dbraw/zinc/22/02/19/1419220219.db2.gz PIVJJIZTQMWBRA-YLJYHZDGSA-N 1 3 341.499 2.709 10 30 EFEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)cc1 ZINC001717115868 1419220222 /nfs/dbraw/zinc/22/02/22/1419220222.db2.gz PIVJJIZTQMWBRA-YLJYHZDGSA-N 1 3 341.499 2.709 10 30 EFEEHO C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001717122338 1419224107 /nfs/dbraw/zinc/22/41/07/1419224107.db2.gz AGILBNXEXWZCJX-RDGPPVDQSA-N 1 3 335.536 2.948 10 30 EFEEHO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001717537524 1419434303 /nfs/dbraw/zinc/43/43/03/1419434303.db2.gz GLOXTIYQTFTJML-SJORKVTESA-N 1 3 327.488 2.603 10 30 EFEEHO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001717537524 1419434305 /nfs/dbraw/zinc/43/43/05/1419434305.db2.gz GLOXTIYQTFTJML-SJORKVTESA-N 1 3 327.488 2.603 10 30 EFEEHO C=CCCCCC[N@@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001717703382 1419516674 /nfs/dbraw/zinc/51/66/74/1419516674.db2.gz HJTXVPHLEZHFAL-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCCCC[N@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001717703382 1419516679 /nfs/dbraw/zinc/51/66/79/1419516679.db2.gz HJTXVPHLEZHFAL-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCN(C)CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001717948089 1419624257 /nfs/dbraw/zinc/62/42/57/1419624257.db2.gz FHOZWCQKJNWYEZ-SFHVURJKSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCN(C)CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001717948089 1419624258 /nfs/dbraw/zinc/62/42/58/1419624258.db2.gz FHOZWCQKJNWYEZ-SFHVURJKSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)C(C)(C)N2CCCC2)c(F)c1 ZINC001718037088 1419674626 /nfs/dbraw/zinc/67/46/26/1419674626.db2.gz LWHQGFSHYDVTBI-UHFFFAOYSA-N 1 3 347.478 2.982 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCC(=C)C)CC1 ZINC001722958051 1424387423 /nfs/dbraw/zinc/38/74/23/1424387423.db2.gz UQYYGBRUFOMNSR-PMACEKPBSA-N 1 3 345.531 2.562 10 30 EFEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001723450972 1424500169 /nfs/dbraw/zinc/50/01/69/1424500169.db2.gz MDEDEPCOUYFNJM-RTBURBONSA-N 1 3 333.520 2.940 10 30 EFEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001723450972 1424500174 /nfs/dbraw/zinc/50/01/74/1424500174.db2.gz MDEDEPCOUYFNJM-RTBURBONSA-N 1 3 333.520 2.940 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001723689706 1424557941 /nfs/dbraw/zinc/55/79/41/1424557941.db2.gz BNEAVYJZXNYNST-QFBILLFUSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001723689706 1424557943 /nfs/dbraw/zinc/55/79/43/1424557943.db2.gz BNEAVYJZXNYNST-QFBILLFUSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001723722331 1424569326 /nfs/dbraw/zinc/56/93/26/1424569326.db2.gz UNXFORXHQCHYCI-IBGZPJMESA-N 1 3 330.476 2.623 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001723722331 1424569329 /nfs/dbraw/zinc/56/93/29/1424569329.db2.gz UNXFORXHQCHYCI-IBGZPJMESA-N 1 3 330.476 2.623 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001724189385 1424694492 /nfs/dbraw/zinc/69/44/92/1424694492.db2.gz KGLJYZNEORTCEO-NRFANRHFSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001724189385 1424694496 /nfs/dbraw/zinc/69/44/96/1424694496.db2.gz KGLJYZNEORTCEO-NRFANRHFSA-N 1 3 347.547 2.739 10 30 EFEEHO CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001724325624 1424736121 /nfs/dbraw/zinc/73/61/21/1424736121.db2.gz ZTXMSBNUPAAQKD-TZIWHRDSSA-N 1 3 345.531 2.635 10 30 EFEEHO CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001724325624 1424736125 /nfs/dbraw/zinc/73/61/25/1424736125.db2.gz ZTXMSBNUPAAQKD-TZIWHRDSSA-N 1 3 345.531 2.635 10 30 EFEEHO CC#CCN1CCC[C@@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724343644 1424742772 /nfs/dbraw/zinc/74/27/72/1424742772.db2.gz OCHMTSODNQXONU-NRFANRHFSA-N 1 3 341.499 2.603 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001724511103 1424776356 /nfs/dbraw/zinc/77/63/56/1424776356.db2.gz FWDXKBXQXQMZJP-HKUYNNGSSA-N 1 3 329.488 2.524 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001724511103 1424776361 /nfs/dbraw/zinc/77/63/61/1424776361.db2.gz FWDXKBXQXQMZJP-HKUYNNGSSA-N 1 3 329.488 2.524 10 30 EFEEHO C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCCN1CC ZINC001724742798 1424970432 /nfs/dbraw/zinc/97/04/32/1424970432.db2.gz TUIQFVSOLJLGDX-FQEVSTJZSA-N 1 3 341.499 2.632 10 30 EFEEHO C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCCN1CC ZINC001724742798 1424970443 /nfs/dbraw/zinc/97/04/43/1424970443.db2.gz TUIQFVSOLJLGDX-FQEVSTJZSA-N 1 3 341.499 2.632 10 30 EFEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001724749568 1424978713 /nfs/dbraw/zinc/97/87/13/1424978713.db2.gz NONWXFFOKOQEEG-PXNSSMCTSA-N 1 3 341.499 2.850 10 30 EFEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001724749568 1424978722 /nfs/dbraw/zinc/97/87/22/1424978722.db2.gz NONWXFFOKOQEEG-PXNSSMCTSA-N 1 3 341.499 2.850 10 30 EFEEHO C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001724854726 1425071877 /nfs/dbraw/zinc/07/18/77/1425071877.db2.gz CYACLKCHFBESLJ-IBGZPJMESA-N 1 3 341.515 2.945 10 30 EFEEHO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001724854726 1425071882 /nfs/dbraw/zinc/07/18/82/1425071882.db2.gz CYACLKCHFBESLJ-IBGZPJMESA-N 1 3 341.515 2.945 10 30 EFEEHO C=CCC[N@@H+](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001725424294 1425569661 /nfs/dbraw/zinc/56/96/61/1425569661.db2.gz KKMHIRZPHPXILA-IBGZPJMESA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCC[N@H+](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001725424294 1425569664 /nfs/dbraw/zinc/56/96/64/1425569664.db2.gz KKMHIRZPHPXILA-IBGZPJMESA-N 1 3 339.499 2.698 10 30 EFEEHO C=C(C)C[NH2+][C@H](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001725445574 1425587011 /nfs/dbraw/zinc/58/70/11/1425587011.db2.gz UJSKUXAJTFHPGQ-APWZRJJASA-N 1 3 341.515 2.896 10 30 EFEEHO C=CCNCc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC001725832884 1425900549 /nfs/dbraw/zinc/90/05/49/1425900549.db2.gz HISDIASVKNXELU-WMZOPIPTSA-N 1 3 347.478 2.838 10 30 EFEEHO CSc1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1C#N ZINC000895776347 724309746 /nfs/dbraw/zinc/30/97/46/724309746.db2.gz CPTKRGNOVYQASN-UHFFFAOYSA-N 1 3 333.501 2.605 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913098131 727781085 /nfs/dbraw/zinc/78/10/85/727781085.db2.gz YTCUYVZETUKQPF-QFBILLFUSA-N 1 3 329.488 2.521 10 30 EFEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001569357795 1085137210 /nfs/dbraw/zinc/13/72/10/1085137210.db2.gz QHTQNIAZZAPTEA-PKOBYXMFSA-N 1 3 333.520 2.798 10 30 EFEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001569357795 1085137216 /nfs/dbraw/zinc/13/72/16/1085137216.db2.gz QHTQNIAZZAPTEA-PKOBYXMFSA-N 1 3 333.520 2.798 10 30 EFEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001569357794 1085137779 /nfs/dbraw/zinc/13/77/79/1085137779.db2.gz QHTQNIAZZAPTEA-MJGOQNOKSA-N 1 3 333.520 2.798 10 30 EFEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001569357794 1085137785 /nfs/dbraw/zinc/13/77/85/1085137785.db2.gz QHTQNIAZZAPTEA-MJGOQNOKSA-N 1 3 333.520 2.798 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001569437122 1085214941 /nfs/dbraw/zinc/21/49/41/1085214941.db2.gz PRDGZKALEFWOPF-QUCCMNQESA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001569437122 1085214951 /nfs/dbraw/zinc/21/49/51/1085214951.db2.gz PRDGZKALEFWOPF-QUCCMNQESA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001569471273 1085268821 /nfs/dbraw/zinc/26/88/21/1085268821.db2.gz ZMMLKKGAFMSXEH-RTBURBONSA-N 1 3 347.547 2.997 10 30 EFEEHO C#CCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001569593136 1085414791 /nfs/dbraw/zinc/41/47/91/1085414791.db2.gz NUYPXTGHESTAHH-SFHVURJKSA-N 1 3 347.547 2.691 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001569648584 1085482766 /nfs/dbraw/zinc/48/27/66/1085482766.db2.gz WXJUMUDXASMEJZ-RTBURBONSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001569648584 1085482772 /nfs/dbraw/zinc/48/27/72/1085482772.db2.gz WXJUMUDXASMEJZ-RTBURBONSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)CN(C)CCC)C2)CC1 ZINC001569800992 1085617614 /nfs/dbraw/zinc/61/76/14/1085617614.db2.gz XVMMXVZHJXJOAV-IBGZPJMESA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001569859660 1085685388 /nfs/dbraw/zinc/68/53/88/1085685388.db2.gz DEEZLMWNSLDRAJ-BCDXTJNWSA-N 1 3 333.520 2.796 10 30 EFEEHO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001569859660 1085685391 /nfs/dbraw/zinc/68/53/91/1085685391.db2.gz DEEZLMWNSLDRAJ-BCDXTJNWSA-N 1 3 333.520 2.796 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001569989114 1085826972 /nfs/dbraw/zinc/82/69/72/1085826972.db2.gz YPZWJZKYGKRYJZ-IRXDYDNUSA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001569989114 1085826979 /nfs/dbraw/zinc/82/69/79/1085826979.db2.gz YPZWJZKYGKRYJZ-IRXDYDNUSA-N 1 3 341.927 2.688 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001570026760 1085875721 /nfs/dbraw/zinc/87/57/21/1085875721.db2.gz JDEQATLRUBZVJK-LJQANCHMSA-N 1 3 329.488 2.795 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001570026760 1085875725 /nfs/dbraw/zinc/87/57/25/1085875725.db2.gz JDEQATLRUBZVJK-LJQANCHMSA-N 1 3 329.488 2.795 10 30 EFEEHO CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001570033209 1085885074 /nfs/dbraw/zinc/88/50/74/1085885074.db2.gz OMXNQNDFPXKPCI-PXNSSMCTSA-N 1 3 341.499 2.851 10 30 EFEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001570032692 1085886378 /nfs/dbraw/zinc/88/63/78/1085886378.db2.gz AEODYSWWGLKUKB-ROUUACIJSA-N 1 3 341.499 2.851 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001570220919 1086062065 /nfs/dbraw/zinc/06/20/65/1086062065.db2.gz YETZARFGXYBJTH-OALUTQOASA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001570220919 1086062069 /nfs/dbraw/zinc/06/20/69/1086062069.db2.gz YETZARFGXYBJTH-OALUTQOASA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001570522197 1086308734 /nfs/dbraw/zinc/30/87/34/1086308734.db2.gz SISRCWRYIAVNDK-UYAOXDASSA-N 1 3 329.488 2.666 10 30 EFEEHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001570522197 1086308747 /nfs/dbraw/zinc/30/87/47/1086308747.db2.gz SISRCWRYIAVNDK-UYAOXDASSA-N 1 3 329.488 2.666 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001570653292 1086437018 /nfs/dbraw/zinc/43/70/18/1086437018.db2.gz PKACBCCWOQPPPO-QZTJIDSGSA-N 1 3 347.547 2.785 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@@]2(C)C1 ZINC001571067999 1086659110 /nfs/dbraw/zinc/65/91/10/1086659110.db2.gz CMNJCXZQFFAYMV-LFGUQSLTSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@@]2(C)C1 ZINC001571067999 1086659115 /nfs/dbraw/zinc/65/91/15/1086659115.db2.gz CMNJCXZQFFAYMV-LFGUQSLTSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCCCCC[NH2+][C@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC001571563948 1086964486 /nfs/dbraw/zinc/96/44/86/1086964486.db2.gz UBYZKXKNNJDPNR-MSOLQXFVSA-N 1 3 335.536 2.901 10 30 EFEEHO CC#CCN1CCC(C2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC001571669498 1087034445 /nfs/dbraw/zinc/03/44/45/1087034445.db2.gz DBHHJUMSLHWIPH-SFHVURJKSA-N 1 3 345.531 2.635 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001267217186 1093227827 /nfs/dbraw/zinc/22/78/27/1093227827.db2.gz AEUSAZHPWXDGKJ-CRAIPNDOSA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001267217186 1093227835 /nfs/dbraw/zinc/22/78/35/1093227835.db2.gz AEUSAZHPWXDGKJ-CRAIPNDOSA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](CC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001267250162 1093367132 /nfs/dbraw/zinc/36/71/32/1093367132.db2.gz HKOYKOZWJMQWND-VQIMIIECSA-N 1 3 341.515 2.992 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001267250162 1093367140 /nfs/dbraw/zinc/36/71/40/1093367140.db2.gz HKOYKOZWJMQWND-VQIMIIECSA-N 1 3 341.515 2.992 10 30 EFEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CCCCC1 ZINC001268123295 1095420288 /nfs/dbraw/zinc/42/02/88/1095420288.db2.gz MLOYOUXGVXMEQB-VQTJNVASSA-N 1 3 347.547 2.927 10 30 EFEEHO C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001268198492 1096078115 /nfs/dbraw/zinc/07/81/15/1096078115.db2.gz RSTYARCWCXHHCH-VQIMIIECSA-N 1 3 329.488 2.765 10 30 EFEEHO C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001268198489 1096079608 /nfs/dbraw/zinc/07/96/08/1096079608.db2.gz RSTYARCWCXHHCH-APWZRJJASA-N 1 3 329.488 2.765 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001481740386 1096481365 /nfs/dbraw/zinc/48/13/65/1096481365.db2.gz BGQMYNJBUMMGKL-QFBILLFUSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001481740386 1096481372 /nfs/dbraw/zinc/48/13/72/1096481372.db2.gz BGQMYNJBUMMGKL-QFBILLFUSA-N 1 3 339.499 2.698 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]CC2CCCCCC2)CC1 ZINC001268427588 1096585075 /nfs/dbraw/zinc/58/50/75/1096585075.db2.gz YCNCEOXCKILBQP-SFHVURJKSA-N 1 3 347.547 2.786 10 30 EFEEHO C#CCC[NH2+]CC[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001481990998 1097057095 /nfs/dbraw/zinc/05/70/95/1097057095.db2.gz IAUSBVOFHIGZTQ-GOSISDBHSA-N 1 3 341.499 2.603 10 30 EFEEHO C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001268772236 1097619745 /nfs/dbraw/zinc/61/97/45/1097619745.db2.gz XCDYTZYDANREDB-UXHICEINSA-N 1 3 341.499 2.650 10 30 EFEEHO C#CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)N2CCCCC2)CCCC1 ZINC001482238610 1098378368 /nfs/dbraw/zinc/37/83/68/1098378368.db2.gz UUIOELJYDKFWBD-SFHVURJKSA-N 1 3 333.520 2.539 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001269732321 1098401798 /nfs/dbraw/zinc/40/17/98/1098401798.db2.gz QZFHHVSJWASFLR-UYAOXDASSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001269732321 1098401801 /nfs/dbraw/zinc/40/18/01/1098401801.db2.gz QZFHHVSJWASFLR-UYAOXDASSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CC[NH+]1CCC(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001270157679 1098748848 /nfs/dbraw/zinc/74/88/48/1098748848.db2.gz GNUYQXRUTPFYKT-UHFFFAOYSA-N 1 3 329.488 2.766 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CCC(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001267947559 1098796728 /nfs/dbraw/zinc/79/67/28/1098796728.db2.gz WNIOZMJCOGWSMB-ROUUACIJSA-N 1 3 335.536 2.901 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C)CC[NH+](CC/C=C/CC)CC2)CC1 ZINC001270266547 1098887737 /nfs/dbraw/zinc/88/77/37/1098887737.db2.gz JRINXTOEBDMGCO-VOTSOKGWSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CCN(CC(=C)C)CC1 ZINC001270321686 1098955714 /nfs/dbraw/zinc/95/57/14/1098955714.db2.gz ZENFGSLDNQVKAO-QUCCMNQESA-N 1 3 343.515 2.506 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CCN(CC(=C)C)CC1 ZINC001270321686 1098955723 /nfs/dbraw/zinc/95/57/23/1098955723.db2.gz ZENFGSLDNQVKAO-QUCCMNQESA-N 1 3 343.515 2.506 10 30 EFEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCC1 ZINC001270443374 1099094806 /nfs/dbraw/zinc/09/48/06/1099094806.db2.gz SKROWSHJFZDMQK-MOPGFXCFSA-N 1 3 333.520 2.537 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]C[C@@H](C)CC)C2CCCC2)CC1 ZINC001270459020 1099111914 /nfs/dbraw/zinc/11/19/14/1099111914.db2.gz YJGFEUVJCAJPDL-PXNSSMCTSA-N 1 3 347.547 2.642 10 30 EFEEHO C=C(C)CC[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001481370462 1099501807 /nfs/dbraw/zinc/50/18/07/1099501807.db2.gz FRBYSQWPEQSJRX-HKUYNNGSSA-N 1 3 329.488 2.742 10 30 EFEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1CCC)C1CCCCC1 ZINC001482406091 1100042233 /nfs/dbraw/zinc/04/22/33/1100042233.db2.gz MRTOPNZUQRSEON-RBUKOAKNSA-N 1 3 333.520 2.539 10 30 EFEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1CC ZINC001670594991 1101376405 /nfs/dbraw/zinc/37/64/05/1101376405.db2.gz IOVVKMPSHQXPEI-AZUAARDMSA-N 1 3 341.499 2.602 10 30 EFEEHO CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1CC ZINC001670594992 1101377667 /nfs/dbraw/zinc/37/76/67/1101377667.db2.gz IOVVKMPSHQXPEI-ICSRJNTNSA-N 1 3 341.499 2.602 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001266371160 1101762913 /nfs/dbraw/zinc/76/29/13/1101762913.db2.gz TUZBTWZHLUVMTI-ROUUACIJSA-N 1 3 333.520 2.796 10 30 EFEEHO C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)CCCCCC)C2)CC1 ZINC001656398341 1102051208 /nfs/dbraw/zinc/05/12/08/1102051208.db2.gz IBDOOBHSUAZBGS-IBGZPJMESA-N 1 3 347.547 2.835 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC/C=C\CC)[C@@H]2CC)CC1 ZINC001656763725 1102193449 /nfs/dbraw/zinc/19/34/49/1102193449.db2.gz MSLULNXQENMTKT-PXIXMTEYSA-N 1 3 345.531 2.657 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC/C=C\CC)[C@@H]2CC)CC1 ZINC001656763725 1102193457 /nfs/dbraw/zinc/19/34/57/1102193457.db2.gz MSLULNXQENMTKT-PXIXMTEYSA-N 1 3 345.531 2.657 10 30 EFEEHO C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271663791 1102225903 /nfs/dbraw/zinc/22/59/03/1102225903.db2.gz AZEXAOKUXYQKBK-RBUKOAKNSA-N 1 3 335.536 2.901 10 30 EFEEHO C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001656905238 1102253800 /nfs/dbraw/zinc/25/38/00/1102253800.db2.gz TURVWEKCPHQUAS-OALUTQOASA-N 1 3 333.520 2.635 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001271766336 1102628183 /nfs/dbraw/zinc/62/81/83/1102628183.db2.gz MWAUTUSEWYIAPV-MJGOQNOKSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001271766336 1102628192 /nfs/dbraw/zinc/62/81/92/1102628192.db2.gz MWAUTUSEWYIAPV-MJGOQNOKSA-N 1 3 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C#CCN1CCC(C(=O)NCC2([NH2+]CC/C=C\CC)CCCC2)CC1 ZINC001666808864 1104999562 /nfs/dbraw/zinc/99/95/62/1104999562.db2.gz RDGYFNQOXKBBAM-WAYWQWQTSA-N 1 3 345.531 2.707 10 30 EFEEHO C#CCN1CCC(C(=O)N(CC)CC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001482970479 1105273197 /nfs/dbraw/zinc/27/31/97/1105273197.db2.gz VAQXGBYQJVOXEY-SFHVURJKSA-N 1 3 341.499 2.531 10 30 EFEEHO CCCN(C)CC(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001668282554 1105273396 /nfs/dbraw/zinc/27/33/96/1105273396.db2.gz DBAQQPASPHBZNA-INIZCTEOSA-N 1 3 349.906 2.518 10 30 EFEEHO CCC[N@H+](C)CCC(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001669721162 1105511965 /nfs/dbraw/zinc/51/19/65/1105511965.db2.gz XEZXKBKCZURVPX-INIZCTEOSA-N 1 3 349.906 2.518 10 30 EFEEHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001669721162 1105511973 /nfs/dbraw/zinc/51/19/73/1105511973.db2.gz XEZXKBKCZURVPX-INIZCTEOSA-N 1 3 349.906 2.518 10 30 EFEEHO C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001670250025 1105604431 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347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC(C)C)CC2)CC1 ZINC001673406171 1106020189 /nfs/dbraw/zinc/02/01/89/1106020189.db2.gz BWADYGUFJSBQGE-HXUWFJFHSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC(C)C)CC2)CC1 ZINC001673406171 1106020195 /nfs/dbraw/zinc/02/01/95/1106020195.db2.gz BWADYGUFJSBQGE-HXUWFJFHSA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001673496495 1106035679 /nfs/dbraw/zinc/03/56/79/1106035679.db2.gz NDPORCJSDXAAKL-OALUTQOASA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001673496495 1106035683 /nfs/dbraw/zinc/03/56/83/1106035683.db2.gz NDPORCJSDXAAKL-OALUTQOASA-N 1 3 335.536 2.853 10 30 EFEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001674033028 1106127936 /nfs/dbraw/zinc/12/79/36/1106127936.db2.gz DTTMOXSMCRZEBX-RTBURBONSA-N 1 3 347.547 2.737 10 30 EFEEHO 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1106805629 /nfs/dbraw/zinc/80/56/29/1106805629.db2.gz VLSOIDZQNDUMLN-LJQANCHMSA-N 1 3 347.478 2.980 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCC(C)(C)C)CC1 ZINC001272344208 1108011758 /nfs/dbraw/zinc/01/17/58/1108011758.db2.gz SAOFHMUFYFXNQE-RBUKOAKNSA-N 1 3 347.547 2.642 10 30 EFEEHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001409440313 1108459576 /nfs/dbraw/zinc/45/95/76/1108459576.db2.gz HAUHYYSBDNJPJK-LSDHHAIUSA-N 1 3 329.916 2.543 10 30 EFEEHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001409440313 1108459580 /nfs/dbraw/zinc/45/95/80/1108459580.db2.gz HAUHYYSBDNJPJK-LSDHHAIUSA-N 1 3 329.916 2.543 10 30 EFEEHO C#CCC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)C1CCCCCC1 ZINC001483813008 1112480378 /nfs/dbraw/zinc/48/03/78/1112480378.db2.gz ATQQEVOJXBPXFU-LJQANCHMSA-N 1 3 335.536 2.737 10 30 EFEEHO C#CCC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)C1CCCCCC1 ZINC001483813008 1112480379 /nfs/dbraw/zinc/48/03/79/1112480379.db2.gz ATQQEVOJXBPXFU-LJQANCHMSA-N 1 3 335.536 2.737 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001483837762 1112513358 /nfs/dbraw/zinc/51/33/58/1112513358.db2.gz OQROXIPKZSISCM-SFHVURJKSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC001484147018 1112825260 /nfs/dbraw/zinc/82/52/60/1112825260.db2.gz NRBRJTORKCCFFX-LJQANCHMSA-N 1 3 347.547 2.739 10 30 EFEEHO C=C(C)CC[N@H+]1CCc2c(CNC(=O)CN(C)CCC)cccc2C1 ZINC001484612331 1113054361 /nfs/dbraw/zinc/05/43/61/1113054361.db2.gz YQJOTGGXNBVJPL-UHFFFAOYSA-N 1 3 343.515 2.969 10 30 EFEEHO C=C(C)CC[N@@H+]1CCc2c(CNC(=O)CN(C)CCC)cccc2C1 ZINC001484612331 1113054363 /nfs/dbraw/zinc/05/43/63/1113054363.db2.gz YQJOTGGXNBVJPL-UHFFFAOYSA-N 1 3 343.515 2.969 10 30 EFEEHO C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)[C@H](CC)N(C)C)cc2C1 ZINC001484875514 1117790387 /nfs/dbraw/zinc/79/03/87/1117790387.db2.gz HTWQADNDELRUDI-IBGZPJMESA-N 1 3 329.488 2.925 10 30 EFEEHO C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](CC)N(C)C)cc2C1 ZINC001484875514 1117790391 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2.633 10 30 EFEEHO CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800797 1118634184 /nfs/dbraw/zinc/63/41/84/1118634184.db2.gz HMHCBBZEUHNXFH-OALUTQOASA-N 1 3 345.531 2.633 10 30 EFEEHO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000941027078 1118657864 /nfs/dbraw/zinc/65/78/64/1118657864.db2.gz RRGGUVXNLSNAJK-DNVCBOLYSA-N 1 3 339.499 2.602 10 30 EFEEHO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000941027078 1118657866 /nfs/dbraw/zinc/65/78/66/1118657866.db2.gz RRGGUVXNLSNAJK-DNVCBOLYSA-N 1 3 339.499 2.602 10 30 EFEEHO C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941238183 1118695183 /nfs/dbraw/zinc/69/51/83/1118695183.db2.gz UMOMBHFODBZMAV-GOSISDBHSA-N 1 3 329.488 2.765 10 30 EFEEHO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941238183 1118695186 /nfs/dbraw/zinc/69/51/86/1118695186.db2.gz UMOMBHFODBZMAV-GOSISDBHSA-N 1 3 329.488 2.765 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(C)C)CC2(C)C)CC1 ZINC000941238491 1118696254 /nfs/dbraw/zinc/69/62/54/1118696254.db2.gz XJCNGZRHQALPJI-LJQANCHMSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)CC2(C)C)CC1 ZINC000941238491 1118696258 /nfs/dbraw/zinc/69/62/58/1118696258.db2.gz XJCNGZRHQALPJI-LJQANCHMSA-N 1 3 347.547 2.594 10 30 EFEEHO C[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000245620002 240257243 /nfs/dbraw/zinc/25/72/43/240257243.db2.gz NLNAXKZYXBFNDA-WCQYABFASA-N 1 3 328.913 2.795 10 30 EFEEHO C[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000245619999 240257829 /nfs/dbraw/zinc/25/78/29/240257829.db2.gz NLNAXKZYXBFNDA-DGCLKSJQSA-N 1 3 328.913 2.795 10 30 EFEEHO C=CCC[C@H](O)C[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000246878147 240274182 /nfs/dbraw/zinc/27/41/82/240274182.db2.gz DMZXEEXGIPJJBZ-SFTDATJTSA-N 1 3 346.515 2.691 10 30 EFEEHO C=CCC[C@H](O)C[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000246878147 240274190 /nfs/dbraw/zinc/27/41/90/240274190.db2.gz DMZXEEXGIPJJBZ-SFTDATJTSA-N 1 3 346.515 2.691 10 30 EFEEHO CN1CC[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)[C@@H]1c1cccnc1 ZINC000263185662 240381400 /nfs/dbraw/zinc/38/14/00/240381400.db2.gz UTVRVSYQOSGXGB-GUYCJALGSA-N 1 3 345.397 2.779 10 30 EFEEHO C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414674645 244287056 /nfs/dbraw/zinc/28/70/56/244287056.db2.gz DYJKJIHSHGHQEF-ZDUSSCGKSA-N 1 3 341.908 2.587 10 30 EFEEHO N#Cc1csc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000397572240 268320177 /nfs/dbraw/zinc/32/01/77/268320177.db2.gz ZDBTUOPUCAYNQB-UHFFFAOYSA-N 1 3 341.480 2.736 10 30 EFEEHO CN1CCN(Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000048783128 472909989 /nfs/dbraw/zinc/90/99/89/472909989.db2.gz RELSVWIDJLNGRT-UHFFFAOYSA-N 1 3 334.467 2.595 10 30 EFEEHO C[C@@H](O)C[NH+]1CCC(CN(C)CC#Cc2cccc(Cl)c2)CC1 ZINC000178973619 473603304 /nfs/dbraw/zinc/60/33/04/473603304.db2.gz BMLISPNYSYDIJO-MRXNPFEDSA-N 1 3 334.891 2.716 10 30 EFEEHO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cc1C#N ZINC000310837549 474828217 /nfs/dbraw/zinc/82/82/17/474828217.db2.gz MZPDQXWKCNXPTO-HMXCVIKNSA-N 1 3 334.467 2.897 10 30 EFEEHO C=CCOc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415126807 476909388 /nfs/dbraw/zinc/90/93/88/476909388.db2.gz MKAWTKCZDCKAFQ-VQTJNVASSA-N 1 3 330.472 2.970 10 30 EFEEHO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000424167576 477314484 /nfs/dbraw/zinc/31/44/84/477314484.db2.gz DZFTYJNQJDZYGS-FPOVZHCZSA-N 1 3 343.515 2.899 10 30 EFEEHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594437689 478387869 /nfs/dbraw/zinc/38/78/69/478387869.db2.gz KSWLMEIRPCCBMT-SFHVURJKSA-N 1 3 330.476 2.554 10 30 EFEEHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594437689 478387875 /nfs/dbraw/zinc/38/78/75/478387875.db2.gz KSWLMEIRPCCBMT-SFHVURJKSA-N 1 3 330.476 2.554 10 30 EFEEHO N#CCCCC[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000594439566 478388611 /nfs/dbraw/zinc/38/86/11/478388611.db2.gz XIPSGYQCZZQEOR-ROUUACIJSA-N 1 3 334.508 2.512 10 30 EFEEHO N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000594441938 478391421 /nfs/dbraw/zinc/39/14/21/478391421.db2.gz YWNDYAQFPXPPCH-RTBURBONSA-N 1 3 342.487 2.741 10 30 EFEEHO C[NH+]1CCC2(CCN(C(=O)C(C#N)CCc3ccccc3)C2)CC1 ZINC000597665747 478454085 /nfs/dbraw/zinc/45/40/85/478454085.db2.gz FGFZQQKUCAJVFQ-SFHVURJKSA-N 1 3 325.456 2.703 10 30 EFEEHO N#CC1(C[C@H](O)C[NH2+]CC2CCN(Cc3cccs3)CC2)CC1 ZINC000600721391 478485073 /nfs/dbraw/zinc/48/50/73/478485073.db2.gz LSHRSVFFECYPEV-INIZCTEOSA-N 1 3 333.501 2.604 10 30 EFEEHO N#CC1(C[C@@H](O)C[NH2+]CC2CCN(Cc3cccs3)CC2)CC1 ZINC000600721392 478486190 /nfs/dbraw/zinc/48/61/90/478486190.db2.gz LSHRSVFFECYPEV-MRXNPFEDSA-N 1 3 333.501 2.604 10 30 EFEEHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595067643 478649416 /nfs/dbraw/zinc/64/94/16/478649416.db2.gz HQNSROQLRZARFQ-HRAATJIYSA-N 1 3 335.451 2.976 10 30 EFEEHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595067643 478649424 /nfs/dbraw/zinc/64/94/24/478649424.db2.gz HQNSROQLRZARFQ-HRAATJIYSA-N 1 3 335.451 2.976 10 30 EFEEHO C=CC[C@H]1CC[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000651693673 481908183 /nfs/dbraw/zinc/90/81/83/481908183.db2.gz ZLCDXLMYBLHEEU-OALUTQOASA-N 1 3 328.504 2.928 10 30 EFEEHO C=CC[C@]1(C(=O)NC2CCN(Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000662673834 481927966 /nfs/dbraw/zinc/92/79/66/481927966.db2.gz SHUODGGHKARMNZ-OAQYLSRUSA-N 1 3 341.499 2.774 10 30 EFEEHO C=CC[C@@]1(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662693790 481936773 /nfs/dbraw/zinc/93/67/73/481936773.db2.gz RAXJZNGGVDLBJY-CTNGQTDRSA-N 1 3 341.499 2.713 10 30 EFEEHO C=CC[C@@]1(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000662719079 481946401 /nfs/dbraw/zinc/94/64/01/481946401.db2.gz WKCBNMSAJDWBSG-JXFKEZNVSA-N 1 3 329.488 2.930 10 30 EFEEHO C=CCn1c(CCN2CCCCC2)nnc1SC[C@H](C)[NH+](C)C ZINC000358863668 534440612 /nfs/dbraw/zinc/44/06/12/534440612.db2.gz JHVXIOLHHOQAHB-HNNXBMFYSA-N 1 3 337.537 2.535 10 30 EFEEHO CC[NH+]=C(NCC1CCSCC1)N[C@H]1CCN(C2CCCC2)C1 ZINC000262767357 535260119 /nfs/dbraw/zinc/26/01/19/535260119.db2.gz HQVUQODCKJTQAI-INIZCTEOSA-N 1 3 338.565 2.702 10 30 EFEEHO CC(C)[NH+]=C(NCCc1ccco1)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000262702595 535338584 /nfs/dbraw/zinc/33/85/84/535338584.db2.gz ZKYMCQREUNVAGU-ALOPSCKCSA-N 1 3 332.492 2.781 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)[C@@H](CC)c2ccccc2)CC1 ZINC001691000665 1247917980 /nfs/dbraw/zinc/91/79/80/1247917980.db2.gz OAXIMMURTQDTJX-FQEVSTJZSA-N 1 3 341.499 2.531 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)[C@@H](CC)c2ccccc2)CC1 ZINC001691000665 1247917989 /nfs/dbraw/zinc/91/79/89/1247917989.db2.gz OAXIMMURTQDTJX-FQEVSTJZSA-N 1 3 341.499 2.531 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC/C=C\CCC)CC1 ZINC001691112613 1248433723 /nfs/dbraw/zinc/43/37/23/1248433723.db2.gz IQTFWKQMMXJRTG-HCZHMGAMSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC/C=C\CCC)CC1 ZINC001691112613 1248433734 /nfs/dbraw/zinc/43/37/34/1248433734.db2.gz IQTFWKQMMXJRTG-HCZHMGAMSA-N 1 3 345.531 2.659 10 30 EFEEHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001484384395 1252489344 /nfs/dbraw/zinc/48/93/44/1252489344.db2.gz NJZGSBYYEPWZGU-KSSFIOAISA-N 1 3 349.906 2.798 10 30 EFEEHO C=C(C)CC[N@H+]1CCc2c(CNC(=O)[C@@H](CC)N(C)C)cccc2C1 ZINC001272917460 1261331580 /nfs/dbraw/zinc/33/15/80/1261331580.db2.gz YXIBNIXSIHEIDJ-HXUWFJFHSA-N 1 3 343.515 2.967 10 30 EFEEHO C=C(C)CC[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)N(C)C)cccc2C1 ZINC001272917460 1261331584 /nfs/dbraw/zinc/33/15/84/1261331584.db2.gz YXIBNIXSIHEIDJ-HXUWFJFHSA-N 1 3 343.515 2.967 10 30 EFEEHO C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001486222628 1262828028 /nfs/dbraw/zinc/82/80/28/1262828028.db2.gz YUKGTPJIPCBJKA-APWZRJJASA-N 1 3 329.488 2.812 10 30 EFEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000876736967 1290994981 /nfs/dbraw/zinc/99/49/81/1290994981.db2.gz YNKGRGYYXZIECI-IAGOWNOFSA-N 1 3 335.879 2.627 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000876742574 1291001038 /nfs/dbraw/zinc/00/10/38/1291001038.db2.gz UXLIVPCSIKRTKU-IAGOWNOFSA-N 1 3 335.879 2.718 10 30 EFEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000876742574 1291001046 /nfs/dbraw/zinc/00/10/46/1291001046.db2.gz UXLIVPCSIKRTKU-IAGOWNOFSA-N 1 3 335.879 2.718 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000876753147 1291006325 /nfs/dbraw/zinc/00/63/25/1291006325.db2.gz BDDVZQXDYSHPCW-XIRDDKMYSA-N 1 3 335.879 2.626 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000876753147 1291006336 /nfs/dbraw/zinc/00/63/36/1291006336.db2.gz BDDVZQXDYSHPCW-XIRDDKMYSA-N 1 3 335.879 2.626 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000876754233 1291007074 /nfs/dbraw/zinc/00/70/74/1291007074.db2.gz DAHCHPABWYRIQI-YOEHRIQHSA-N 1 3 335.879 2.798 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000876764053 1291010417 /nfs/dbraw/zinc/01/04/17/1291010417.db2.gz NFWYPQQVHFUJGU-FBVQUNGASA-N 1 3 347.890 2.768 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000876764053 1291010427 /nfs/dbraw/zinc/01/04/27/1291010427.db2.gz NFWYPQQVHFUJGU-FBVQUNGASA-N 1 3 347.890 2.768 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000876768535 1291013370 /nfs/dbraw/zinc/01/33/70/1291013370.db2.gz XBGSGMOZKQHTHV-NONVJHHQSA-N 1 3 349.906 2.729 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000876768535 1291013379 /nfs/dbraw/zinc/01/33/79/1291013379.db2.gz XBGSGMOZKQHTHV-NONVJHHQSA-N 1 3 349.906 2.729 10 30 EFEEHO CC#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001273606540 1292295813 /nfs/dbraw/zinc/29/58/13/1292295813.db2.gz ADXFJFUQSRRONZ-UXHICEINSA-N 1 3 347.547 2.835 10 30 EFEEHO C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001276333055 1292836773 /nfs/dbraw/zinc/83/67/73/1292836773.db2.gz DAPIEBYYQHTEAW-VQTJNVASSA-N 1 3 347.547 2.881 10 30 EFEEHO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001276333055 1292836785 /nfs/dbraw/zinc/83/67/85/1292836785.db2.gz DAPIEBYYQHTEAW-VQTJNVASSA-N 1 3 347.547 2.881 10 30 EFEEHO C=CCCCCCN1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001490441462 1298866754 /nfs/dbraw/zinc/86/67/54/1298866754.db2.gz CZRDMQUFYQYODJ-SFHVURJKSA-N 1 3 333.520 2.942 10 30 EFEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001278200238 1313780522 /nfs/dbraw/zinc/78/05/22/1313780522.db2.gz APBOGWZMYWSQLK-GOSISDBHSA-N 1 3 333.520 2.608 10 30 EFEEHO C=CCC[C@@H]([NH2+]CCCN1CCN(CC)CC1)[C@@]1(C)CCCCO1 ZINC000902745625 1312071910 /nfs/dbraw/zinc/07/19/10/1312071910.db2.gz RSCAQNLZFXEWJV-WOJBJXKFSA-N 1 3 337.552 2.898 10 30 EFEEHO C=CCC[NH2+][C@H](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001277586860 1312588387 /nfs/dbraw/zinc/58/83/87/1312588387.db2.gz GLXZXACVSIFAJH-APWZRJJASA-N 1 3 341.515 2.896 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001278449767 1314632972 /nfs/dbraw/zinc/63/29/72/1314632972.db2.gz ILOMXLQGNXQSPL-NQIIRXRSSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001278449767 1314632975 /nfs/dbraw/zinc/63/29/75/1314632975.db2.gz ILOMXLQGNXQSPL-NQIIRXRSSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001278613363 1315293693 /nfs/dbraw/zinc/29/36/93/1315293693.db2.gz KVQCDYOAYUJMRS-HKUYNNGSSA-N 1 3 347.547 2.642 10 30 EFEEHO C=CC[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001252932746 1315536164 /nfs/dbraw/zinc/53/61/64/1315536164.db2.gz WJFHAKYNQWVEFB-BZSNNMDCSA-N 1 3 338.540 2.693 10 30 EFEEHO C=CC[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001252932746 1315536167 /nfs/dbraw/zinc/53/61/67/1315536167.db2.gz WJFHAKYNQWVEFB-BZSNNMDCSA-N 1 3 338.540 2.693 10 30 EFEEHO C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001252932749 1315536381 /nfs/dbraw/zinc/53/63/81/1315536381.db2.gz WJFHAKYNQWVEFB-RCCFBDPRSA-N 1 3 338.540 2.693 10 30 EFEEHO C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001252932749 1315536385 /nfs/dbraw/zinc/53/63/85/1315536385.db2.gz WJFHAKYNQWVEFB-RCCFBDPRSA-N 1 3 338.540 2.693 10 30 EFEEHO C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001278741633 1315640672 /nfs/dbraw/zinc/64/06/72/1315640672.db2.gz QCAYNZWNIXUIFB-HNNXBMFYSA-N 1 3 343.462 2.510 10 30 EFEEHO C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001278741633 1315640674 /nfs/dbraw/zinc/64/06/74/1315640674.db2.gz QCAYNZWNIXUIFB-HNNXBMFYSA-N 1 3 343.462 2.510 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CCC2CCCCC2)CC1 ZINC001318605844 1328649806 /nfs/dbraw/zinc/64/98/06/1328649806.db2.gz KCCAKWCAKABSHL-HXUWFJFHSA-N 1 3 347.547 2.786 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265624100 1316837424 /nfs/dbraw/zinc/83/74/24/1316837424.db2.gz LAZURKDHIRBVTM-APWZRJJASA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001266086074 1317012675 /nfs/dbraw/zinc/01/26/75/1317012675.db2.gz FLFCNUZWVMBKFW-HNNXBMFYSA-N 1 3 349.906 2.529 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](CC)CCC(C)(C)C)CC1 ZINC001266112558 1317054207 /nfs/dbraw/zinc/05/42/07/1317054207.db2.gz SUWBDNCOGIWQIH-UHFFFAOYSA-N 1 3 335.536 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@H+](CC)CCC(C)(C)C)CC1 ZINC001266112558 1317054216 /nfs/dbraw/zinc/05/42/16/1317054216.db2.gz SUWBDNCOGIWQIH-UHFFFAOYSA-N 1 3 335.536 2.596 10 30 EFEEHO C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001266217399 1317158207 /nfs/dbraw/zinc/15/82/07/1317158207.db2.gz ZFCTWYBBJCKVBA-GOSISDBHSA-N 1 3 333.520 2.635 10 30 EFEEHO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001266217399 1317158211 /nfs/dbraw/zinc/15/82/11/1317158211.db2.gz ZFCTWYBBJCKVBA-GOSISDBHSA-N 1 3 333.520 2.635 10 30 EFEEHO C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001266217400 1317158450 /nfs/dbraw/zinc/15/84/50/1317158450.db2.gz ZFCTWYBBJCKVBA-SFHVURJKSA-N 1 3 333.520 2.635 10 30 EFEEHO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001266217400 1317158454 /nfs/dbraw/zinc/15/84/54/1317158454.db2.gz ZFCTWYBBJCKVBA-SFHVURJKSA-N 1 3 333.520 2.635 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCC=C)CC2)CC1 ZINC001280381613 1317535160 /nfs/dbraw/zinc/53/51/60/1317535160.db2.gz RMIWTUNIQKFGHX-KESTWPANSA-N 1 3 345.531 2.562 10 30 EFEEHO C=CCCC[NH+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001280394645 1317541458 /nfs/dbraw/zinc/54/14/58/1317541458.db2.gz UCRHWSYFVWGTCJ-ROUUACIJSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001280890695 1317882605 /nfs/dbraw/zinc/88/26/05/1317882605.db2.gz XKKJDLSCSIDTGK-RBUKOAKNSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001280890695 1317882611 /nfs/dbraw/zinc/88/26/11/1317882611.db2.gz XKKJDLSCSIDTGK-RBUKOAKNSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CC[NH+]1CCC(CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001319031253 1328768285 /nfs/dbraw/zinc/76/82/85/1328768285.db2.gz FFNVLKOGVUIKTN-LJQANCHMSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](F)CN(CC)CC ZINC001281905375 1318618597 /nfs/dbraw/zinc/61/85/97/1318618597.db2.gz IZUXCNHGLJPCJZ-IPMKNSEASA-N 1 3 347.478 2.614 10 30 EFEEHO C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCN1CCC ZINC001281904972 1318619300 /nfs/dbraw/zinc/61/93/00/1318619300.db2.gz CMVDBUROQLMVOO-HSALFYBXSA-N 1 3 341.499 2.809 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001281975851 1318643126 /nfs/dbraw/zinc/64/31/26/1318643126.db2.gz QVQRIWMOEMCQRE-RTBURBONSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001281975851 1318643134 /nfs/dbraw/zinc/64/31/34/1318643134.db2.gz QVQRIWMOEMCQRE-RTBURBONSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCN1CCCCC[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001282674493 1319065036 /nfs/dbraw/zinc/06/50/36/1319065036.db2.gz FHKYGWGEHWGSEY-LPHOPBHVSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCN1CCCCC[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001282674493 1319065042 /nfs/dbraw/zinc/06/50/42/1319065042.db2.gz FHKYGWGEHWGSEY-LPHOPBHVSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CC[NH+]1CCC([C@H](C)NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001284723208 1320492513 /nfs/dbraw/zinc/49/25/13/1320492513.db2.gz IJUQXBBHSNYRMT-KXBFYZLASA-N 1 3 339.499 2.602 10 30 EFEEHO C=CCC[NH2+][C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001319943702 1329040968 /nfs/dbraw/zinc/04/09/68/1329040968.db2.gz LBKWIMFBZGFJJE-MAUKXSAKSA-N 1 3 327.488 2.505 10 30 EFEEHO C=CCO[C@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC001320086309 1329073648 /nfs/dbraw/zinc/07/36/48/1329073648.db2.gz LBTVHTLYOOLHEC-FQEVSTJZSA-N 1 3 330.472 2.938 10 30 EFEEHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)CC[C@@H]21 ZINC001320112812 1329084902 /nfs/dbraw/zinc/08/49/02/1329084902.db2.gz WAAOFAMZSUKQGC-MOPGFXCFSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)CC[C@@H]21 ZINC001320112812 1329084904 /nfs/dbraw/zinc/08/49/04/1329084904.db2.gz WAAOFAMZSUKQGC-MOPGFXCFSA-N 1 3 335.536 2.997 10 30 EFEEHO CC#CC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001316769014 1325041615 /nfs/dbraw/zinc/04/16/15/1325041615.db2.gz DIYGRNFYGLDBLN-HXUWFJFHSA-N 1 3 341.499 2.746 10 30 EFEEHO CC#CC[NH2+][C@H]1CCCCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001316769012 1325042082 /nfs/dbraw/zinc/04/20/82/1325042082.db2.gz DIYGRNFYGLDBLN-FQEVSTJZSA-N 1 3 341.499 2.746 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001316760016 1325113425 /nfs/dbraw/zinc/11/34/25/1325113425.db2.gz YUNOIFTUWUSNMX-QYZOEREBSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@@H]2C1 ZINC001316760016 1325113431 /nfs/dbraw/zinc/11/34/31/1325113431.db2.gz YUNOIFTUWUSNMX-QYZOEREBSA-N 1 3 335.536 2.853 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)CCC2=CCCCC2)CC1 ZINC001316871675 1325241492 /nfs/dbraw/zinc/24/14/92/1325241492.db2.gz YLUUTKSVERJIIN-UHFFFAOYSA-N 1 3 345.531 2.660 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@H+](C)CCC2=CCCCC2)CC1 ZINC001316871675 1325241502 /nfs/dbraw/zinc/24/15/02/1325241502.db2.gz YLUUTKSVERJIIN-UHFFFAOYSA-N 1 3 345.531 2.660 10 30 EFEEHO C[C@@H](CNCC#Cc1cccc(Cl)c1)NC(=O)CCCC[NH+](C)C ZINC001322049362 1329424913 /nfs/dbraw/zinc/42/49/13/1329424913.db2.gz BSIQSBOARWIYDE-INIZCTEOSA-N 1 3 349.906 2.518 10 30 EFEEHO C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001323540451 1329550368 /nfs/dbraw/zinc/55/03/68/1329550368.db2.gz CUHBCNZVAGSJHP-HNAYVOBHSA-N 1 3 339.499 2.792 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001323830775 1329575732 /nfs/dbraw/zinc/57/57/32/1329575732.db2.gz BXWSVUZVYKYAOU-MSOLQXFVSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCCC[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001323832284 1329576446 /nfs/dbraw/zinc/57/64/46/1329576446.db2.gz MYVVMKFWFZPDBA-GOSISDBHSA-N 1 3 333.520 2.609 10 30 EFEEHO C=CCCC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001323835587 1329576567 /nfs/dbraw/zinc/57/65/67/1329576567.db2.gz MIUVMGOSLGTSJO-SFHVURJKSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001324225024 1329609267 /nfs/dbraw/zinc/60/92/67/1329609267.db2.gz GJLOJCGDTJWESY-QFBILLFUSA-N 1 3 339.499 2.746 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C)CC[NH+]([C@H](C)CCC=C)CC2)CC1 ZINC001324343074 1329618227 /nfs/dbraw/zinc/61/82/27/1329618227.db2.gz OQHTZSPOFSUTSB-GOSISDBHSA-N 1 3 345.531 2.657 10 30 EFEEHO C#CCN(C(=O)[C@H]1CCCN1C(C)C)C1CC[NH+](CCCCC)CC1 ZINC001324387337 1329622922 /nfs/dbraw/zinc/62/29/22/1329622922.db2.gz SWNPAFREFIRPRM-HXUWFJFHSA-N 1 3 347.547 2.976 10 30 EFEEHO C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCN(CC=C(C)C)CC1 ZINC001324396905 1329623681 /nfs/dbraw/zinc/62/36/81/1329623681.db2.gz JWVVHADFSJCEHO-VQTJNVASSA-N 1 3 345.531 2.609 10 30 EFEEHO C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCN(CC=C(C)C)CC1 ZINC001324396905 1329623682 /nfs/dbraw/zinc/62/36/82/1329623682.db2.gz JWVVHADFSJCEHO-VQTJNVASSA-N 1 3 345.531 2.609 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001324976554 1329664822 /nfs/dbraw/zinc/66/48/22/1329664822.db2.gz MRAJQYBMCDEJJS-NRFANRHFSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@]2(C)CCC[N@H+](CCC(=C)C)C2)CC1 ZINC001324976554 1329664823 /nfs/dbraw/zinc/66/48/23/1329664823.db2.gz MRAJQYBMCDEJJS-NRFANRHFSA-N 1 3 345.531 2.516 10 30 EFEEHO C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001325656547 1329704114 /nfs/dbraw/zinc/70/41/14/1329704114.db2.gz STFMIALGWYHOAJ-IYARVYRRSA-N 1 3 335.536 2.949 10 30 EFEEHO C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001326482512 1329759942 /nfs/dbraw/zinc/75/99/42/1329759942.db2.gz XJYSZCZMVWQUDU-IRXDYDNUSA-N 1 3 329.488 2.871 10 30 EFEEHO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001327299365 1330454281 /nfs/dbraw/zinc/45/42/81/1330454281.db2.gz NGVJIRKUPACCFL-KDURUIRLSA-N 1 3 331.504 2.502 10 30 EFEEHO C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001327307452 1330457148 /nfs/dbraw/zinc/45/71/48/1330457148.db2.gz CZEGYZNBAWEKPW-RBUKOAKNSA-N 1 3 347.547 2.691 10 30 EFEEHO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001327307452 1330457154 /nfs/dbraw/zinc/45/71/54/1330457154.db2.gz CZEGYZNBAWEKPW-RBUKOAKNSA-N 1 3 347.547 2.691 10 30 EFEEHO C=C(C)C[N@H+](CC)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001328586427 1330604997 /nfs/dbraw/zinc/60/49/97/1330604997.db2.gz BNPQEUJCSYTIIC-UHFFFAOYSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001328586427 1330604999 /nfs/dbraw/zinc/60/49/99/1330604999.db2.gz BNPQEUJCSYTIIC-UHFFFAOYSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001328687145 1330616132 /nfs/dbraw/zinc/61/61/32/1330616132.db2.gz YTOVQLRHKSDJBB-AQNXPRMDSA-N 1 3 343.515 2.911 10 30 EFEEHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001328694852 1330616930 /nfs/dbraw/zinc/61/69/30/1330616930.db2.gz XGADOLDEMDTWSY-TZIWHRDSSA-N 1 3 341.499 2.810 10 30 EFEEHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC001329167117 1330675454 /nfs/dbraw/zinc/67/54/54/1330675454.db2.gz JXBKDKAMXVQCTR-CVEARBPZSA-N 1 3 349.906 2.516 10 30 EFEEHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC001329167117 1330675457 /nfs/dbraw/zinc/67/54/57/1330675457.db2.gz JXBKDKAMXVQCTR-CVEARBPZSA-N 1 3 349.906 2.516 10 30 EFEEHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001329167118 1330675489 /nfs/dbraw/zinc/67/54/89/1330675489.db2.gz JXBKDKAMXVQCTR-HOTGVXAUSA-N 1 3 349.906 2.516 10 30 EFEEHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001329167118 1330675492 /nfs/dbraw/zinc/67/54/92/1330675492.db2.gz JXBKDKAMXVQCTR-HOTGVXAUSA-N 1 3 349.906 2.516 10 30 EFEEHO C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001330513878 1330763871 /nfs/dbraw/zinc/76/38/71/1330763871.db2.gz FKRFHIBZRBMJRT-SFHVURJKSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001330513878 1330763873 /nfs/dbraw/zinc/76/38/73/1330763873.db2.gz FKRFHIBZRBMJRT-SFHVURJKSA-N 1 3 333.520 2.751 10 30 EFEEHO C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001330657637 1330764344 /nfs/dbraw/zinc/76/43/44/1330764344.db2.gz ZWMHZIQSBFCPCL-BXWFABGCSA-N 1 3 339.499 2.650 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+](CCCCC)CC2)CC1 ZINC001332972008 1331056892 /nfs/dbraw/zinc/05/68/92/1331056892.db2.gz HNXILHTXTRGMND-GOSISDBHSA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCCC[C@H](N)C(=O)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 ZINC001341221423 1332243768 /nfs/dbraw/zinc/24/37/68/1332243768.db2.gz XXONHKCWJHSIKN-IRXDYDNUSA-N 1 3 343.471 2.514 10 30 EFEEHO C=CCCC[C@@H](N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001354571126 1334383681 /nfs/dbraw/zinc/38/36/81/1334383681.db2.gz ULEBFDSPAXYLDA-QKNQBKEWSA-N 1 3 341.499 2.651 10 30 EFEEHO C=CCCC[C@@H](N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001354571126 1334383686 /nfs/dbraw/zinc/38/36/86/1334383686.db2.gz ULEBFDSPAXYLDA-QKNQBKEWSA-N 1 3 341.499 2.651 10 30 EFEEHO N#CCCCC[C@H](N)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000848409761 1334710586 /nfs/dbraw/zinc/71/05/86/1334710586.db2.gz CWHQUOCMACMSKJ-SFHVURJKSA-N 1 3 334.508 2.559 10 30 EFEEHO C=C(Cl)CN1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001366703070 1337893307 /nfs/dbraw/zinc/89/33/07/1337893307.db2.gz FZPBZXUKWDCPGI-WMZOPIPTSA-N 1 3 349.906 2.870 10 30 EFEEHO C=C(Cl)CN1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001366703070 1337893314 /nfs/dbraw/zinc/89/33/14/1337893314.db2.gz FZPBZXUKWDCPGI-WMZOPIPTSA-N 1 3 349.906 2.870 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001374178962 1341519192 /nfs/dbraw/zinc/51/91/92/1341519192.db2.gz HKCLUNRSGVXNEN-HUUCEWRRSA-N 1 3 327.900 2.630 10 30 EFEEHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001394449557 1357830493 /nfs/dbraw/zinc/83/04/93/1357830493.db2.gz MPQGQNFOBCLHJN-DOTOQJQBSA-N 1 3 341.927 2.830 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001401179668 1362514081 /nfs/dbraw/zinc/51/40/81/1362514081.db2.gz JGUCPQQOHZNAHC-HNNXBMFYSA-N 1 3 327.900 2.632 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001401179668 1362514086 /nfs/dbraw/zinc/51/40/86/1362514086.db2.gz JGUCPQQOHZNAHC-HNNXBMFYSA-N 1 3 327.900 2.632 10 30 EFEEHO C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001437371400 1387586604 /nfs/dbraw/zinc/58/66/04/1387586604.db2.gz KJVISRAGOQQZRU-HZPDHXFCSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CN[C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001437371400 1387586607 /nfs/dbraw/zinc/58/66/07/1387586607.db2.gz KJVISRAGOQQZRU-HZPDHXFCSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001402319007 1363603450 /nfs/dbraw/zinc/60/34/50/1363603450.db2.gz UGIBUQFAVFANNM-SJORKVTESA-N 1 3 339.911 2.630 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001402319007 1363603454 /nfs/dbraw/zinc/60/34/54/1363603454.db2.gz UGIBUQFAVFANNM-SJORKVTESA-N 1 3 339.911 2.630 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001402318997 1363603604 /nfs/dbraw/zinc/60/36/04/1363603604.db2.gz UGIBUQFAVFANNM-IAGOWNOFSA-N 1 3 339.911 2.630 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001402318997 1363603609 /nfs/dbraw/zinc/60/36/09/1363603609.db2.gz UGIBUQFAVFANNM-IAGOWNOFSA-N 1 3 339.911 2.630 10 30 EFEEHO C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]2C1 ZINC001403428401 1364632269 /nfs/dbraw/zinc/63/22/69/1364632269.db2.gz ZHBRANSUKWUXNG-GVDBMIGSSA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@@H]2C1 ZINC001403428401 1364632272 /nfs/dbraw/zinc/63/22/72/1364632272.db2.gz ZHBRANSUKWUXNG-GVDBMIGSSA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001406087291 1367206622 /nfs/dbraw/zinc/20/66/22/1367206622.db2.gz WAICTXDUUIWMMB-CVEARBPZSA-N 1 3 329.916 2.590 10 30 EFEEHO C=C(Cl)CNC[C@H]1CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001423486461 1381978133 /nfs/dbraw/zinc/97/81/33/1381978133.db2.gz RFZOAXFUUWILMB-PBHICJAKSA-N 1 3 345.890 2.532 10 30 EFEEHO C=C(Cl)CNC[C@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001423486461 1381978139 /nfs/dbraw/zinc/97/81/39/1381978139.db2.gz RFZOAXFUUWILMB-PBHICJAKSA-N 1 3 345.890 2.532 10 30 EFEEHO C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001439414543 1389271012 /nfs/dbraw/zinc/27/10/12/1389271012.db2.gz BMEPVUDVJOLFCO-JKSUJKDBSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001506907782 1406425189 /nfs/dbraw/zinc/42/51/89/1406425189.db2.gz XLOQABIAWJQUOP-UAPYVXQJSA-N 1 3 329.488 2.812 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001441203156 1391179589 /nfs/dbraw/zinc/17/95/89/1391179589.db2.gz KVEPFWRLCXFJAA-INIZCTEOSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CC1 ZINC001441203156 1391179592 /nfs/dbraw/zinc/17/95/92/1391179592.db2.gz KVEPFWRLCXFJAA-INIZCTEOSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001448217914 1392025121 /nfs/dbraw/zinc/02/51/21/1392025121.db2.gz PAPZIGHZOOQZSN-ZBFHGGJFSA-N 1 3 329.916 2.543 10 30 EFEEHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001480665962 1398272177 /nfs/dbraw/zinc/27/21/77/1398272177.db2.gz QKZVQPFCQKOTBI-VQIMIIECSA-N 1 3 339.499 2.603 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](CC/C=C\CCC)C2)CC1 ZINC001493266343 1398574398 /nfs/dbraw/zinc/57/43/98/1398574398.db2.gz FGHHZWZSLBRAMR-LIXSYLKWSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](CC/C=C\CCC)C2)CC1 ZINC001493266343 1398574400 /nfs/dbraw/zinc/57/44/00/1398574400.db2.gz FGHHZWZSLBRAMR-LIXSYLKWSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCCN1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H]1C ZINC001507375291 1406973974 /nfs/dbraw/zinc/97/39/74/1406973974.db2.gz LXWHDRSVLVUSBT-WMZOPIPTSA-N 1 3 333.520 2.632 10 30 EFEEHO C#CCCN1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H]1C ZINC001507375291 1406973981 /nfs/dbraw/zinc/97/39/81/1406973981.db2.gz LXWHDRSVLVUSBT-WMZOPIPTSA-N 1 3 333.520 2.632 10 30 EFEEHO C#CCCN1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H]1C ZINC001507375289 1406974370 /nfs/dbraw/zinc/97/43/70/1406974370.db2.gz LXWHDRSVLVUSBT-FUHWJXTLSA-N 1 3 333.520 2.632 10 30 EFEEHO C#CCCN1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H]1C ZINC001507375289 1406974372 /nfs/dbraw/zinc/97/43/72/1406974372.db2.gz LXWHDRSVLVUSBT-FUHWJXTLSA-N 1 3 333.520 2.632 10 30 EFEEHO C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001493979379 1399033235 /nfs/dbraw/zinc/03/32/35/1399033235.db2.gz XSNOTARRKIYOKJ-HXUWFJFHSA-N 1 3 341.499 2.698 10 30 EFEEHO C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001493979379 1399033241 /nfs/dbraw/zinc/03/32/41/1399033241.db2.gz XSNOTARRKIYOKJ-HXUWFJFHSA-N 1 3 341.499 2.698 10 30 EFEEHO C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001507426794 1407040890 /nfs/dbraw/zinc/04/08/90/1407040890.db2.gz HDXXVQUGIVXGCN-VQIMIIECSA-N 1 3 329.488 2.812 10 30 EFEEHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001495495756 1400029278 /nfs/dbraw/zinc/02/92/78/1400029278.db2.gz GZICOZHMXBRDCJ-LJQANCHMSA-N 1 3 329.488 2.841 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001495598824 1400106482 /nfs/dbraw/zinc/10/64/82/1400106482.db2.gz LGZCJFGOZRWQDV-QZTJIDSGSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001495598824 1400106489 /nfs/dbraw/zinc/10/64/89/1400106489.db2.gz LGZCJFGOZRWQDV-QZTJIDSGSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001495598825 1400106958 /nfs/dbraw/zinc/10/69/58/1400106958.db2.gz LGZCJFGOZRWQDV-ROUUACIJSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001495598825 1400106964 /nfs/dbraw/zinc/10/69/64/1400106964.db2.gz LGZCJFGOZRWQDV-ROUUACIJSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001495974441 1400392167 /nfs/dbraw/zinc/39/21/67/1400392167.db2.gz SDPGYYPQEZMCGH-QGZVFWFLSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001496288555 1400603508 /nfs/dbraw/zinc/60/35/08/1400603508.db2.gz ODMCIIPABMWPNH-MAUKXSAKSA-N 1 3 327.488 2.505 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC(=C)C)C2CCCCC2)CC1 ZINC001496328097 1400643206 /nfs/dbraw/zinc/64/32/06/1400643206.db2.gz WWESIVREGMOEOW-FQEVSTJZSA-N 1 3 345.531 2.562 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCCCC)CC1 ZINC001498506571 1402152007 /nfs/dbraw/zinc/15/20/07/1402152007.db2.gz ZFWGMEFWPBQSKC-VQTJNVASSA-N 1 3 347.547 2.786 10 30 EFEEHO C=CCN1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001500512515 1403184882 /nfs/dbraw/zinc/18/48/82/1403184882.db2.gz ZGFSSGLDBPKPPO-LJQANCHMSA-N 1 3 335.536 2.903 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001501651399 1403669115 /nfs/dbraw/zinc/66/91/15/1403669115.db2.gz ONQLYDOHVOXXKX-QGZVFWFLSA-N 1 3 341.927 2.833 10 30 EFEEHO C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001506576229 1405992800 /nfs/dbraw/zinc/99/28/00/1405992800.db2.gz RLIXAZFKVVSDBA-OALUTQOASA-N 1 3 333.520 2.635 10 30 EFEEHO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001506576229 1405992805 /nfs/dbraw/zinc/99/28/05/1405992805.db2.gz RLIXAZFKVVSDBA-OALUTQOASA-N 1 3 333.520 2.635 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001565938746 1415456985 /nfs/dbraw/zinc/45/69/85/1415456985.db2.gz LNKLOEWSCHCORZ-GDBMZVCRSA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001565938749 1415457269 /nfs/dbraw/zinc/45/72/69/1415457269.db2.gz LNKLOEWSCHCORZ-ZBFHGGJFSA-N 1 3 341.927 2.688 10 30 EFEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001566121445 1415520139 /nfs/dbraw/zinc/52/01/39/1415520139.db2.gz IJWNDACPGXDFMU-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCCCC[NH+]1CCC(N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC001566612819 1415695514 /nfs/dbraw/zinc/69/55/14/1415695514.db2.gz JSEJLKCWWFSBLN-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001567230539 1416004125 /nfs/dbraw/zinc/00/41/25/1416004125.db2.gz KIQKNUWCQYNMOA-CRAIPNDOSA-N 1 3 327.488 2.650 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001567240558 1416007690 /nfs/dbraw/zinc/00/76/90/1416007690.db2.gz KSMVOKBBUQZCHI-GOSISDBHSA-N 1 3 345.531 2.707 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001568157907 1416428600 /nfs/dbraw/zinc/42/86/00/1416428600.db2.gz HEFKFRDDCOHYRJ-QZTJIDSGSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001568157907 1416428602 /nfs/dbraw/zinc/42/86/02/1416428602.db2.gz HEFKFRDDCOHYRJ-QZTJIDSGSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001568387176 1416507345 /nfs/dbraw/zinc/50/73/45/1416507345.db2.gz RDZBLDYCIJVCKB-SJORKVTESA-N 1 3 341.927 2.974 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568387176 1416507349 /nfs/dbraw/zinc/50/73/49/1416507349.db2.gz RDZBLDYCIJVCKB-SJORKVTESA-N 1 3 341.927 2.974 10 30 EFEEHO C=CCC[N@@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001691752081 1416665862 /nfs/dbraw/zinc/66/58/62/1416665862.db2.gz YNFINQZQGCSVBC-IBGZPJMESA-N 1 3 341.515 2.992 10 30 EFEEHO C=CCC[N@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001691752081 1416665866 /nfs/dbraw/zinc/66/58/66/1416665866.db2.gz YNFINQZQGCSVBC-IBGZPJMESA-N 1 3 341.515 2.992 10 30 EFEEHO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001690356621 1417195481 /nfs/dbraw/zinc/19/54/81/1417195481.db2.gz PHMSNZSCMDOPKL-YIOZNXECSA-N 1 3 339.499 2.790 10 30 EFEEHO C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001698940554 1417351322 /nfs/dbraw/zinc/35/13/22/1417351322.db2.gz UGNCOFSXZLOHLR-QFBILLFUSA-N 1 3 329.488 2.765 10 30 EFEEHO C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001698940551 1417351585 /nfs/dbraw/zinc/35/15/85/1417351585.db2.gz UGNCOFSXZLOHLR-LPHOPBHVSA-N 1 3 329.488 2.765 10 30 EFEEHO C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001699696025 1417457128 /nfs/dbraw/zinc/45/71/28/1417457128.db2.gz YBXBTNLSBZJNFO-FQEVSTJZSA-N 1 3 335.536 2.999 10 30 EFEEHO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001699696025 1417457129 /nfs/dbraw/zinc/45/71/29/1417457129.db2.gz YBXBTNLSBZJNFO-FQEVSTJZSA-N 1 3 335.536 2.999 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1CC ZINC001699930358 1417511149 /nfs/dbraw/zinc/51/11/49/1417511149.db2.gz KNGVTCPUHLYDFF-HXUWFJFHSA-N 1 3 343.515 2.914 10 30 EFEEHO C=C(Cl)CNCCC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001700709779 1417625547 /nfs/dbraw/zinc/62/55/47/1417625547.db2.gz VTMKNFCVWODEPW-ROUUACIJSA-N 1 3 349.906 2.918 10 30 EFEEHO C=C(Cl)CNCCC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001700709779 1417625549 /nfs/dbraw/zinc/62/55/49/1417625549.db2.gz VTMKNFCVWODEPW-ROUUACIJSA-N 1 3 349.906 2.918 10 30 EFEEHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713144595 1418336159 /nfs/dbraw/zinc/33/61/59/1418336159.db2.gz UZEGCQDHYWPVDL-HCXYKTFWSA-N 1 3 333.520 2.748 10 30 EFEEHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713144596 1418336281 /nfs/dbraw/zinc/33/62/81/1418336281.db2.gz UZEGCQDHYWPVDL-MKXGPGLRSA-N 1 3 333.520 2.748 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CCCC=C)C2)CC1 ZINC001713278686 1418448294 /nfs/dbraw/zinc/44/82/94/1418448294.db2.gz HDJPCKKXFQUUFZ-AZUAARDMSA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CCCC=C)C2)CC1 ZINC001713278686 1418448298 /nfs/dbraw/zinc/44/82/98/1418448298.db2.gz HDJPCKKXFQUUFZ-AZUAARDMSA-N 1 3 345.531 2.515 10 30 EFEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001713762491 1418574447 /nfs/dbraw/zinc/57/44/47/1418574447.db2.gz WZMJHWFRCLLOPT-SFHVURJKSA-N 1 3 329.488 2.718 10 30 EFEEHO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001713762491 1418574448 /nfs/dbraw/zinc/57/44/48/1418574448.db2.gz WZMJHWFRCLLOPT-SFHVURJKSA-N 1 3 329.488 2.718 10 30 EFEEHO CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001716706533 1418965758 /nfs/dbraw/zinc/96/57/58/1418965758.db2.gz QUMOAPIKABLVGG-MOPGFXCFSA-N 1 3 347.547 2.691 10 30 EFEEHO CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001716706533 1418965760 /nfs/dbraw/zinc/96/57/60/1418965760.db2.gz QUMOAPIKABLVGG-MOPGFXCFSA-N 1 3 347.547 2.691 10 30 EFEEHO C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001716708483 1418966686 /nfs/dbraw/zinc/96/66/86/1418966686.db2.gz HMGDUCJGBWQPIY-QBUWPKIASA-N 1 3 333.520 2.796 10 30 EFEEHO C#CCNC[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001716812885 1419026015 /nfs/dbraw/zinc/02/60/15/1419026015.db2.gz UKDCUQSFGUSYHZ-LAUBAEHRSA-N 1 3 349.478 2.562 10 30 EFEEHO C#CCNC[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001716812885 1419026020 /nfs/dbraw/zinc/02/60/20/1419026020.db2.gz UKDCUQSFGUSYHZ-LAUBAEHRSA-N 1 3 349.478 2.562 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](C[C@H](C)CC)C2)CC1 ZINC001716903146 1419088740 /nfs/dbraw/zinc/08/87/40/1419088740.db2.gz XXWRYAZLFPCFKD-WIYYLYMNSA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001716903146 1419088743 /nfs/dbraw/zinc/08/87/43/1419088743.db2.gz XXWRYAZLFPCFKD-WIYYLYMNSA-N 1 3 347.547 2.596 10 30 EFEEHO C=CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001716952592 1419107249 /nfs/dbraw/zinc/10/72/49/1419107249.db2.gz IDNVQESYHKWHPL-GOSISDBHSA-N 1 3 344.503 2.869 10 30 EFEEHO CC#CCNCCN(Cc1ccccc1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001717005734 1419141696 /nfs/dbraw/zinc/14/16/96/1419141696.db2.gz MNYIVCNCWMUXIT-FQEVSTJZSA-N 1 3 341.499 2.503 10 30 EFEEHO CC#CCNCCN(Cc1ccccc1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001717005734 1419141697 /nfs/dbraw/zinc/14/16/97/1419141697.db2.gz MNYIVCNCWMUXIT-FQEVSTJZSA-N 1 3 341.499 2.503 10 30 EFEEHO C=C(C)CCN1Cc2ccc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001717271107 1419300534 /nfs/dbraw/zinc/30/05/34/1419300534.db2.gz XPGNDNRLQZVBTL-GOSISDBHSA-N 1 3 341.499 2.926 10 30 EFEEHO C=C(C)CCN1Cc2ccc(CNC(=O)C[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001717271107 1419300539 /nfs/dbraw/zinc/30/05/39/1419300539.db2.gz XPGNDNRLQZVBTL-GOSISDBHSA-N 1 3 341.499 2.926 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001717376915 1419368024 /nfs/dbraw/zinc/36/80/24/1419368024.db2.gz ARHRDCYHPJZKAE-FQEVSTJZSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001717376915 1419368028 /nfs/dbraw/zinc/36/80/28/1419368028.db2.gz ARHRDCYHPJZKAE-FQEVSTJZSA-N 1 3 347.547 2.999 10 30 EFEEHO C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001717377463 1419369092 /nfs/dbraw/zinc/36/90/92/1419369092.db2.gz CDSUGAXJZPSLJI-UXHICEINSA-N 1 3 347.547 2.692 10 30 EFEEHO C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001717377463 1419369093 /nfs/dbraw/zinc/36/90/93/1419369093.db2.gz CDSUGAXJZPSLJI-UXHICEINSA-N 1 3 347.547 2.692 10 30 EFEEHO CC#CC[NH2+][C@H](CCNC(=O)c1cccc(CN(C)C)c1)C(C)C ZINC001717724850 1419526058 /nfs/dbraw/zinc/52/60/58/1419526058.db2.gz XGMRPSNRHYRPOR-LJQANCHMSA-N 1 3 329.488 2.506 10 30 EFEEHO C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]21 ZINC001717848882 1419576967 /nfs/dbraw/zinc/57/69/67/1419576967.db2.gz KNCNIAYYBKWTNH-IPMKNSEASA-N 1 3 333.520 2.511 10 30 EFEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001723450969 1424500139 /nfs/dbraw/zinc/50/01/39/1424500139.db2.gz MDEDEPCOUYFNJM-OALUTQOASA-N 1 3 333.520 2.940 10 30 EFEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001723450969 1424500142 /nfs/dbraw/zinc/50/01/42/1424500142.db2.gz MDEDEPCOUYFNJM-OALUTQOASA-N 1 3 333.520 2.940 10 30 EFEEHO C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001723608893 1424534200 /nfs/dbraw/zinc/53/42/00/1424534200.db2.gz SQRRVWUMZXSBRD-MOPGFXCFSA-N 1 3 347.547 2.691 10 30 EFEEHO C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001723608893 1424534206 /nfs/dbraw/zinc/53/42/06/1424534206.db2.gz SQRRVWUMZXSBRD-MOPGFXCFSA-N 1 3 347.547 2.691 10 30 EFEEHO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001724730891 1424952845 /nfs/dbraw/zinc/95/28/45/1424952845.db2.gz VCOCQQFLOVQASS-RTBURBONSA-N 1 3 335.536 2.901 10 30 EFEEHO C=C(C)C[N@H+]1CCc2c(CNC(=O)CN3CC[C@@H](C)C3)cccc2C1 ZINC001724777149 1425004392 /nfs/dbraw/zinc/00/43/92/1425004392.db2.gz NSWRBEBACMQLGL-QGZVFWFLSA-N 1 3 341.499 2.579 10 30 EFEEHO C=C(C)C[N@@H+]1CCc2c(CNC(=O)CN3CC[C@@H](C)C3)cccc2C1 ZINC001724777149 1425004395 /nfs/dbraw/zinc/00/43/95/1425004395.db2.gz NSWRBEBACMQLGL-QGZVFWFLSA-N 1 3 341.499 2.579 10 30 EFEEHO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001724865912 1425080113 /nfs/dbraw/zinc/08/01/13/1425080113.db2.gz YUYURFJHOVOLTJ-BGYRXZFFSA-N 1 3 345.531 2.892 10 30 EFEEHO C=C(C)CC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001724948990 1425157464 /nfs/dbraw/zinc/15/74/64/1425157464.db2.gz QUWPBEAONLCTSJ-LPHOPBHVSA-N 1 3 329.488 2.765 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC(C)C)[C@@H](C)C2)CC1 ZINC001725000081 1425213997 /nfs/dbraw/zinc/21/39/97/1425213997.db2.gz FZNAXQLTPMOBNX-AZUAARDMSA-N 1 3 347.547 2.737 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC(C)C)[C@@H](C)C2)CC1 ZINC001725000081 1425214005 /nfs/dbraw/zinc/21/40/05/1425214005.db2.gz FZNAXQLTPMOBNX-AZUAARDMSA-N 1 3 347.547 2.737 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001725290017 1425443734 /nfs/dbraw/zinc/44/37/34/1425443734.db2.gz NVJHZARBYNAXHP-IRXDYDNUSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001725290017 1425443745 /nfs/dbraw/zinc/44/37/45/1425443745.db2.gz NVJHZARBYNAXHP-IRXDYDNUSA-N 1 3 333.520 2.796 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC/C=C/CC)C(C)(C)C)CC1 ZINC001725758365 1425825305 /nfs/dbraw/zinc/82/53/05/1425825305.db2.gz RWZMFSHTSOENOR-SGQUHAKNSA-N 1 3 347.547 2.808 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC/C=C/CC)C(C)(C)C)CC1 ZINC001725758362 1425825639 /nfs/dbraw/zinc/82/56/39/1425825639.db2.gz RWZMFSHTSOENOR-CSHXORCISA-N 1 3 347.547 2.808 10 30 EFEEHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C(F)(F)F ZINC001725784193 1425849181 /nfs/dbraw/zinc/84/91/81/1425849181.db2.gz XHDIVCBOOIPBBB-LSDHHAIUSA-N 1 3 349.441 2.663 10 30 EFEEHO C#CCN1CCC(C(=O)NCC2=CC[N@H+](CCCC(C)C)CC2)CC1 ZINC001725828081 1425892369 /nfs/dbraw/zinc/89/23/69/1425892369.db2.gz DIRNLVHXTKESRH-UHFFFAOYSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)NCC2=CC[N@@H+](CCCC(C)C)CC2)CC1 ZINC001725828081 1425892375 /nfs/dbraw/zinc/89/23/75/1425892375.db2.gz DIRNLVHXTKESRH-UHFFFAOYSA-N 1 3 345.531 2.516 10 30 EFEEHO CC#CCN1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941236965 727925599 /nfs/dbraw/zinc/92/55/99/727925599.db2.gz DPYICNPDPBOBCP-IBGZPJMESA-N 1 3 341.499 2.602 10 30 EFEEHO C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(N(C)C)CCC1 ZINC001569440620 1085220915 /nfs/dbraw/zinc/22/09/15/1085220915.db2.gz RRBGPVPFEZUQLL-AYHJJNSGSA-N 1 3 333.520 2.939 10 30 EFEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCCCC)CC1 ZINC001569595962 1085419723 /nfs/dbraw/zinc/41/97/23/1085419723.db2.gz IZHBKEYQFQWRBL-KDURUIRLSA-N 1 3 347.547 2.976 10 30 EFEEHO C#CCNC[C@H](NC(=O)CC[N@@H+](C)CC)c1ccc2ccccc2c1 ZINC001569598133 1085424389 /nfs/dbraw/zinc/42/43/89/1085424389.db2.gz WVAULWGLYHZWKZ-FQEVSTJZSA-N 1 3 337.467 2.562 10 30 EFEEHO C#CCNC[C@H](NC(=O)CC[N@H+](C)CC)c1ccc2ccccc2c1 ZINC001569598133 1085424396 /nfs/dbraw/zinc/42/43/96/1085424396.db2.gz WVAULWGLYHZWKZ-FQEVSTJZSA-N 1 3 337.467 2.562 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001570219636 1086060253 /nfs/dbraw/zinc/06/02/53/1086060253.db2.gz FEMFAQJFQOCLBH-RTBURBONSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001570219636 1086060260 /nfs/dbraw/zinc/06/02/60/1086060260.db2.gz FEMFAQJFQOCLBH-RTBURBONSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001570220453 1086062889 /nfs/dbraw/zinc/06/28/89/1086062889.db2.gz RVVZAKSCMVDOEP-RTBURBONSA-N 1 3 347.547 2.548 10 30 EFEEHO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001570220453 1086062904 /nfs/dbraw/zinc/06/29/04/1086062904.db2.gz RVVZAKSCMVDOEP-RTBURBONSA-N 1 3 347.547 2.548 10 30 EFEEHO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001570736105 1086490633 /nfs/dbraw/zinc/49/06/33/1086490633.db2.gz QYXIUSSBVSLGNP-QAPCUYQASA-N 1 3 327.488 2.602 10 30 EFEEHO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001570736105 1086490635 /nfs/dbraw/zinc/49/06/35/1086490635.db2.gz QYXIUSSBVSLGNP-QAPCUYQASA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCCCCC[NH2+][C@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC001571563950 1086964263 /nfs/dbraw/zinc/96/42/63/1086964263.db2.gz UBYZKXKNNJDPNR-ROUUACIJSA-N 1 3 335.536 2.901 10 30 EFEEHO CC#CCN1CCC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001571644374 1087014793 /nfs/dbraw/zinc/01/47/93/1087014793.db2.gz OBJJVTZKNVRLHT-QGZVFWFLSA-N 1 3 347.547 2.879 10 30 EFEEHO CC#CCN1CCC([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001571644374 1087014800 /nfs/dbraw/zinc/01/48/00/1087014800.db2.gz OBJJVTZKNVRLHT-QGZVFWFLSA-N 1 3 347.547 2.879 10 30 EFEEHO C=CC[NH2+]CCc1ccc(CNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001267096139 1092683540 /nfs/dbraw/zinc/68/35/40/1092683540.db2.gz HUJDEXMOHFBIJC-UHFFFAOYSA-N 1 3 343.515 2.885 10 30 EFEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001267107293 1092749646 /nfs/dbraw/zinc/74/96/46/1092749646.db2.gz BTSXFSWGGDENAS-LJQANCHMSA-N 1 3 333.520 2.587 10 30 EFEEHO CC#CCN(C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001267107293 1092749649 /nfs/dbraw/zinc/74/96/49/1092749649.db2.gz BTSXFSWGGDENAS-LJQANCHMSA-N 1 3 333.520 2.587 10 30 EFEEHO C#CC[NH2+][C@H](CNC(=O)c1sccc1CN(C)C)c1ccccc1 ZINC001267362098 1094312077 /nfs/dbraw/zinc/31/20/77/1094312077.db2.gz OALSTRXDGDNDOH-QGZVFWFLSA-N 1 3 341.480 2.504 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001268046914 1094891012 /nfs/dbraw/zinc/89/10/12/1094891012.db2.gz PAXCIEBSOWTLPH-MSOLQXFVSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001268046917 1094895915 /nfs/dbraw/zinc/89/59/15/1094895915.db2.gz PAXCIEBSOWTLPH-ZWKOTPCHSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCN[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001267519462 1095212576 /nfs/dbraw/zinc/21/25/76/1095212576.db2.gz GUZLBJQWAOQBEQ-GOSISDBHSA-N 1 3 329.488 2.884 10 30 EFEEHO C#CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1CCCCC1 ZINC001268118975 1095404522 /nfs/dbraw/zinc/40/45/22/1095404522.db2.gz GTOSBYSQARYFMN-SFHVURJKSA-N 1 3 333.520 2.539 10 30 EFEEHO C#CCCN1CC[C@H](N(CCC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267547389 1095457586 /nfs/dbraw/zinc/45/75/86/1095457586.db2.gz MIUIFMXVADDTEQ-OALUTQOASA-N 1 3 333.520 2.587 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268161639 1095594412 /nfs/dbraw/zinc/59/44/12/1095594412.db2.gz FHPXMYWPJLNMHM-YESZJQIVSA-N 1 3 341.927 2.830 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268161639 1095594422 /nfs/dbraw/zinc/59/44/22/1095594422.db2.gz FHPXMYWPJLNMHM-YESZJQIVSA-N 1 3 341.927 2.830 10 30 EFEEHO C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001267601107 1096190783 /nfs/dbraw/zinc/19/07/83/1096190783.db2.gz KKJLQDSDHZGPDI-KRWDZBQOSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001267601107 1096190789 /nfs/dbraw/zinc/19/07/89/1096190789.db2.gz KKJLQDSDHZGPDI-KRWDZBQOSA-N 1 3 335.536 2.996 10 30 EFEEHO CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001481677087 1096289656 /nfs/dbraw/zinc/28/96/56/1096289656.db2.gz CMIDUYFWYDJZBV-VJANTYMQSA-N 1 3 335.536 2.972 10 30 EFEEHO CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001481677087 1096289664 /nfs/dbraw/zinc/28/96/64/1096289664.db2.gz CMIDUYFWYDJZBV-VJANTYMQSA-N 1 3 335.536 2.972 10 30 EFEEHO C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001481850321 1096794791 /nfs/dbraw/zinc/79/47/91/1096794791.db2.gz KUYLBPSMPPLFDJ-MAUKXSAKSA-N 1 3 327.488 2.650 10 30 EFEEHO C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001481850322 1096795115 /nfs/dbraw/zinc/79/51/15/1096795115.db2.gz KUYLBPSMPPLFDJ-QAPCUYQASA-N 1 3 327.488 2.650 10 30 EFEEHO CC#CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)CCCCCC)CC2 ZINC001482071716 1097225382 /nfs/dbraw/zinc/22/53/82/1097225382.db2.gz KPEQRMVTRUCCSL-UHFFFAOYSA-N 1 3 347.547 2.836 10 30 EFEEHO CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)CCCCCC)CC2 ZINC001482071716 1097225387 /nfs/dbraw/zinc/22/53/87/1097225387.db2.gz KPEQRMVTRUCCSL-UHFFFAOYSA-N 1 3 347.547 2.836 10 30 EFEEHO C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001268944491 1097737790 /nfs/dbraw/zinc/73/77/90/1097737790.db2.gz XOHOGTRKKGXZSK-CADBVGFASA-N 1 3 333.520 2.748 10 30 EFEEHO C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001268944491 1097737795 /nfs/dbraw/zinc/73/77/95/1097737795.db2.gz XOHOGTRKKGXZSK-CADBVGFASA-N 1 3 333.520 2.748 10 30 EFEEHO CC[C@H](CNC(=O)CC[N@H+](C)CC)NCC#Cc1ccccc1Cl ZINC001269493273 1098182904 /nfs/dbraw/zinc/18/29/04/1098182904.db2.gz UWLNXVXFOUQCDS-QGZVFWFLSA-N 1 3 349.906 2.518 10 30 EFEEHO CC[C@H](CNC(=O)CC[N@@H+](C)CC)NCC#Cc1ccccc1Cl ZINC001269493273 1098182907 /nfs/dbraw/zinc/18/29/07/1098182907.db2.gz UWLNXVXFOUQCDS-QGZVFWFLSA-N 1 3 349.906 2.518 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001482232112 1098263901 /nfs/dbraw/zinc/26/39/01/1098263901.db2.gz ALAKISSJOVKXGN-HZPDHXFCSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001482232112 1098263910 /nfs/dbraw/zinc/26/39/10/1098263910.db2.gz ALAKISSJOVKXGN-HZPDHXFCSA-N 1 3 339.911 2.774 10 30 EFEEHO C=CCC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001269633169 1098311043 /nfs/dbraw/zinc/31/10/43/1098311043.db2.gz UCOGVVADUBWIFQ-KRWDZBQOSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001269633169 1098311050 /nfs/dbraw/zinc/31/10/50/1098311050.db2.gz UCOGVVADUBWIFQ-KRWDZBQOSA-N 1 3 333.520 2.607 10 30 EFEEHO C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001269634045 1098311192 /nfs/dbraw/zinc/31/11/92/1098311192.db2.gz JLFIQEHCKBQDRQ-RTBURBONSA-N 1 3 339.499 2.650 10 30 EFEEHO C#CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N2CCCCC2)CCCC1 ZINC001482238609 1098377732 /nfs/dbraw/zinc/37/77/32/1098377732.db2.gz UUIOELJYDKFWBD-GOSISDBHSA-N 1 3 333.520 2.539 10 30 EFEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CCCC1 ZINC001270443376 1099093844 /nfs/dbraw/zinc/09/38/44/1099093844.db2.gz SKROWSHJFZDMQK-RBUKOAKNSA-N 1 3 333.520 2.537 10 30 EFEEHO CC#CCN1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001271017716 1100381378 /nfs/dbraw/zinc/38/13/78/1100381378.db2.gz VFEGVWZZDDBEIZ-PZJWPPBQSA-N 1 3 347.547 2.739 10 30 EFEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1CC ZINC001670594994 1101376809 /nfs/dbraw/zinc/37/68/09/1101376809.db2.gz IOVVKMPSHQXPEI-UYAOXDASSA-N 1 3 341.499 2.602 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC(C)C)C2)CC1 ZINC001656385981 1102047786 /nfs/dbraw/zinc/04/77/86/1102047786.db2.gz FXMDSADRWWPWNZ-AZUAARDMSA-N 1 3 347.547 2.642 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001266760279 1102141864 /nfs/dbraw/zinc/14/18/64/1102141864.db2.gz BIFRMHGMQTYJBQ-APWZRJJASA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001266760279 1102141871 /nfs/dbraw/zinc/14/18/71/1102141871.db2.gz BIFRMHGMQTYJBQ-APWZRJJASA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001271608471 1102172571 /nfs/dbraw/zinc/17/25/71/1102172571.db2.gz JWGFXRULPNASSY-QGZVFWFLSA-N 1 3 341.927 2.976 10 30 EFEEHO CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266486595 1102244898 /nfs/dbraw/zinc/24/48/98/1102244898.db2.gz QBQHHUIKXOZYCM-AKHDSKFASA-N 1 3 335.536 2.972 10 30 EFEEHO CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266486595 1102244902 /nfs/dbraw/zinc/24/49/02/1102244902.db2.gz QBQHHUIKXOZYCM-AKHDSKFASA-N 1 3 335.536 2.972 10 30 EFEEHO C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001482501414 1102423462 /nfs/dbraw/zinc/42/34/62/1102423462.db2.gz OQMPZVXQJFFEEY-XLIONFOSSA-N 1 3 341.499 2.602 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001271766334 1102628068 /nfs/dbraw/zinc/62/80/68/1102628068.db2.gz MWAUTUSEWYIAPV-IEBWSBKVSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001271766334 1102628076 /nfs/dbraw/zinc/62/80/76/1102628076.db2.gz MWAUTUSEWYIAPV-IEBWSBKVSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001670523405 1102799174 /nfs/dbraw/zinc/79/91/74/1102799174.db2.gz XGMLRYQVIZOXLE-QFBILLFUSA-N 1 3 339.499 2.650 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001661066991 1103106975 /nfs/dbraw/zinc/10/69/75/1103106975.db2.gz TXJFAFFLIDPJLT-ROUUACIJSA-N 1 3 333.520 2.798 10 30 EFEEHO C=CCCC[NH2+][C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001661168617 1103156575 /nfs/dbraw/zinc/15/65/75/1103156575.db2.gz PXRLRRZRKYSDRU-APWZRJJASA-N 1 3 339.499 2.650 10 30 EFEEHO C=CCCC[NH2+][C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001661168619 1103156818 /nfs/dbraw/zinc/15/68/18/1103156818.db2.gz PXRLRRZRKYSDRU-QFBILLFUSA-N 1 3 339.499 2.650 10 30 EFEEHO C=C(C)CC[N@H+](CC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001663422567 1104089352 /nfs/dbraw/zinc/08/93/52/1104089352.db2.gz JFYRAWBOUZGKEW-SFHVURJKSA-N 1 3 327.488 2.603 10 30 EFEEHO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001663422567 1104089364 /nfs/dbraw/zinc/08/93/64/1104089364.db2.gz JFYRAWBOUZGKEW-SFHVURJKSA-N 1 3 327.488 2.603 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CCCC)c2ccccc2)CC1 ZINC001664599219 1104466818 /nfs/dbraw/zinc/46/68/18/1104466818.db2.gz QFIQXCAQIBHGHI-HXUWFJFHSA-N 1 3 341.499 2.579 10 30 EFEEHO C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001666333411 1104928535 /nfs/dbraw/zinc/92/85/35/1104928535.db2.gz QKVZEKSCBYFIQN-LJQANCHMSA-N 1 3 329.488 2.841 10 30 EFEEHO CC#CCN1CCC[C@](C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001671891952 1105722696 /nfs/dbraw/zinc/72/26/96/1105722696.db2.gz IVYSBHZDVIQVNW-OAQYLSRUSA-N 1 3 347.547 2.881 10 30 EFEEHO CC#CCN1CCC[C@](C)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001671891952 1105722700 /nfs/dbraw/zinc/72/27/00/1105722700.db2.gz IVYSBHZDVIQVNW-OAQYLSRUSA-N 1 3 347.547 2.881 10 30 EFEEHO C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001672377496 1105817274 /nfs/dbraw/zinc/81/72/74/1105817274.db2.gz WMSYRKOOMKJODN-VAMGGRTRSA-N 1 3 347.547 2.785 10 30 EFEEHO CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCCN1CC ZINC001672400740 1105825144 /nfs/dbraw/zinc/82/51/44/1105825144.db2.gz PVKNHKCYNDVTOB-HXUWFJFHSA-N 1 3 341.499 2.503 10 30 EFEEHO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001672994218 1105956327 /nfs/dbraw/zinc/95/63/27/1105956327.db2.gz CNPWJYLBBMLBLC-IRJFHVNHSA-N 1 3 341.499 2.650 10 30 EFEEHO C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001673496494 1106035784 /nfs/dbraw/zinc/03/57/84/1106035784.db2.gz NDPORCJSDXAAKL-MOPGFXCFSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001673496494 1106035791 /nfs/dbraw/zinc/03/57/91/1106035791.db2.gz NDPORCJSDXAAKL-MOPGFXCFSA-N 1 3 335.536 2.853 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001674775922 1106254878 /nfs/dbraw/zinc/25/48/78/1106254878.db2.gz YXDJJFWVJQJMNI-SJORKVTESA-N 1 3 335.536 2.641 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001674775919 1106255248 /nfs/dbraw/zinc/25/52/48/1106255248.db2.gz YXDJJFWVJQJMNI-DLBZAZTESA-N 1 3 335.536 2.641 10 30 EFEEHO C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001675986109 1106461246 /nfs/dbraw/zinc/46/12/46/1106461246.db2.gz MTGIEGLJPNMPTM-JKSUJKDBSA-N 1 3 329.916 2.878 10 30 EFEEHO C#CC[NH2+]CCC[C@@H](NC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001676144164 1106491729 /nfs/dbraw/zinc/49/17/29/1106491729.db2.gz KLDYGWOQKAAWCX-LJQANCHMSA-N 1 3 341.499 2.721 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC001676839199 1106601473 /nfs/dbraw/zinc/60/14/73/1106601473.db2.gz ZSAKRGGTKJCGPX-QXAKKESOSA-N 1 3 333.520 2.654 10 30 EFEEHO CC#CCN1CCC([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001677335283 1106700639 /nfs/dbraw/zinc/70/06/39/1106700639.db2.gz UREAETNSYRMEGJ-GOSISDBHSA-N 1 3 347.547 2.881 10 30 EFEEHO CC#CCN1CCC([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001677335283 1106700643 /nfs/dbraw/zinc/70/06/43/1106700643.db2.gz UREAETNSYRMEGJ-GOSISDBHSA-N 1 3 347.547 2.881 10 30 EFEEHO CC[C@@H](N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1cccc(C#N)c1 ZINC000902922076 1106847230 /nfs/dbraw/zinc/84/72/30/1106847230.db2.gz KACOFRUHPPCSED-MOPGFXCFSA-N 1 3 344.503 2.691 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001483798451 1112461139 /nfs/dbraw/zinc/46/11/39/1112461139.db2.gz GLRGYDXAIKNMKW-IBGZPJMESA-N 1 3 333.520 2.609 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001483798451 1112461140 /nfs/dbraw/zinc/46/11/40/1112461140.db2.gz GLRGYDXAIKNMKW-IBGZPJMESA-N 1 3 333.520 2.609 10 30 EFEEHO C=CC[N@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001483817448 1112468041 /nfs/dbraw/zinc/46/80/41/1112468041.db2.gz MTUSJMRNTSQRDB-UHFFFAOYSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001483817448 1112468043 /nfs/dbraw/zinc/46/80/43/1112468043.db2.gz MTUSJMRNTSQRDB-UHFFFAOYSA-N 1 3 333.520 2.607 10 30 EFEEHO C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001484558486 1113012516 /nfs/dbraw/zinc/01/25/16/1113012516.db2.gz HHXFOPGULYGEGI-XLIONFOSSA-N 1 3 341.499 2.850 10 30 EFEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001484561662 1113015293 /nfs/dbraw/zinc/01/52/93/1113015293.db2.gz PHGYFDJESMHHIV-KRWDZBQOSA-N 1 3 339.483 2.605 10 30 EFEEHO C=C(C)CN1CCc2c(CNC(=O)CCC[NH+](C)C)cccc2C1 ZINC001484612454 1113054645 /nfs/dbraw/zinc/05/46/45/1113054645.db2.gz DJBJEIZLAIXAFR-UHFFFAOYSA-N 1 3 329.488 2.579 10 30 EFEEHO C=CCCCN1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2C1 ZINC001484874316 1117788702 /nfs/dbraw/zinc/78/87/02/1117788702.db2.gz PDLZOCQUWRPCRG-UHFFFAOYSA-N 1 3 341.499 2.926 10 30 EFEEHO C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001485029192 1117954460 /nfs/dbraw/zinc/95/44/60/1117954460.db2.gz KHWFGTITDHXNLD-HKUYNNGSSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001485029192 1117954461 /nfs/dbraw/zinc/95/44/61/1117954461.db2.gz KHWFGTITDHXNLD-HKUYNNGSSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001485260790 1118179902 /nfs/dbraw/zinc/17/99/02/1118179902.db2.gz QRDSFOKKPFYDLA-IBGZPJMESA-N 1 3 341.515 2.849 10 30 EFEEHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001485263530 1118182593 /nfs/dbraw/zinc/18/25/93/1118182593.db2.gz IABRRNMBNJTSRA-HZPDHXFCSA-N 1 3 343.943 2.934 10 30 EFEEHO C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001485706627 1118530702 /nfs/dbraw/zinc/53/07/02/1118530702.db2.gz LHOJCNJTEADJRQ-JCNLHEQBSA-N 1 3 335.879 2.599 10 30 EFEEHO C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001485768411 1118581090 /nfs/dbraw/zinc/58/10/90/1118581090.db2.gz NQSWCCJQWMWSIW-KDURUIRLSA-N 1 3 341.499 2.501 10 30 EFEEHO C=CC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000941027080 1118658079 /nfs/dbraw/zinc/65/80/79/1118658079.db2.gz RRGGUVXNLSNAJK-KXBFYZLASA-N 1 3 339.499 2.602 10 30 EFEEHO C=CC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000941027080 1118658082 /nfs/dbraw/zinc/65/80/82/1118658082.db2.gz RRGGUVXNLSNAJK-KXBFYZLASA-N 1 3 339.499 2.602 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)CC2(C)C)CC1 ZINC000941238222 1118695571 /nfs/dbraw/zinc/69/55/71/1118695571.db2.gz VGBSYESDFWEEGF-IBGZPJMESA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)CC2(C)C)CC1 ZINC000941238222 1118695574 /nfs/dbraw/zinc/69/55/74/1118695574.db2.gz VGBSYESDFWEEGF-IBGZPJMESA-N 1 3 345.531 2.515 10 30 EFEEHO N#Cc1ccc(CNCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)o1 ZINC000174362105 231189494 /nfs/dbraw/zinc/18/94/94/231189494.db2.gz MZUJNUOCKXASHK-HXUWFJFHSA-N 1 3 339.439 2.686 10 30 EFEEHO CN(CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC000262478925 240356043 /nfs/dbraw/zinc/35/60/43/240356043.db2.gz HRNFRZRVFZGGCT-QGZVFWFLSA-N 1 3 330.476 2.679 10 30 EFEEHO C[NH+]=C(NCc1nccc2ccccc21)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000245629688 240257272 /nfs/dbraw/zinc/25/72/72/240257272.db2.gz PRGDKUVISVZKNK-DNVCBOLYSA-N 1 3 339.487 2.629 10 30 EFEEHO N#C[C@@H]1CCC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000414296943 244078447 /nfs/dbraw/zinc/07/84/47/244078447.db2.gz FWGNIVJADATDJB-MOPGFXCFSA-N 1 3 327.472 2.685 10 30 EFEEHO C=CCN1CCC(N[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422865269 246493871 /nfs/dbraw/zinc/49/38/71/246493871.db2.gz XMAKLWRDOKEDBG-VQTJNVASSA-N 1 3 329.488 2.728 10 30 EFEEHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(C#N)CCc2ccccc2)[C@H](C)C1 ZINC000433471364 248063703 /nfs/dbraw/zinc/06/37/03/248063703.db2.gz OFQWBEHFLINWPD-QRQLOZEOSA-N 1 3 327.472 2.948 10 30 EFEEHO CC[N@H+]1CC[C@H](N(C)C(=O)C(C#N)CCc2ccccc2)[C@H](C)C1 ZINC000433471364 248063706 /nfs/dbraw/zinc/06/37/06/248063706.db2.gz OFQWBEHFLINWPD-QRQLOZEOSA-N 1 3 327.472 2.948 10 30 EFEEHO C[N@H+](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000471880376 269688298 /nfs/dbraw/zinc/68/82/98/269688298.db2.gz NVRZLXZKALKPJL-SFHVURJKSA-N 1 3 338.455 2.621 10 30 EFEEHO C[N@@H+](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000471880376 269688299 /nfs/dbraw/zinc/68/82/99/269688299.db2.gz NVRZLXZKALKPJL-SFHVURJKSA-N 1 3 338.455 2.621 10 30 EFEEHO CN1CCC(C[NH2+]Cc2cc(C#N)cs2)(N2CCCCC2)CC1 ZINC000177706880 310776116 /nfs/dbraw/zinc/77/61/16/310776116.db2.gz GTWVBSOOCNYELN-UHFFFAOYSA-N 1 3 332.517 2.660 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000106336915 472841173 /nfs/dbraw/zinc/84/11/73/472841173.db2.gz IWUHNASDGOZORB-UHFFFAOYSA-N 1 3 336.524 2.591 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000106336915 472841181 /nfs/dbraw/zinc/84/11/81/472841181.db2.gz IWUHNASDGOZORB-UHFFFAOYSA-N 1 3 336.524 2.591 10 30 EFEEHO C[C@H](O)C[NH+]1CCC(CN(C)CC#Cc2cccc(Cl)c2)CC1 ZINC000178973610 473603290 /nfs/dbraw/zinc/60/32/90/473603290.db2.gz BMLISPNYSYDIJO-INIZCTEOSA-N 1 3 334.891 2.716 10 30 EFEEHO C=CCOc1ccccc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000349070037 475900004 /nfs/dbraw/zinc/90/00/04/475900004.db2.gz AOYQOCBKBZYGHM-UHFFFAOYSA-N 1 3 343.515 2.711 10 30 EFEEHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349690460 475987001 /nfs/dbraw/zinc/98/70/01/475987001.db2.gz GEEOMVMCXUAIFE-FCEWJHQRSA-N 1 3 338.455 2.620 10 30 EFEEHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349690460 475987009 /nfs/dbraw/zinc/98/70/09/475987009.db2.gz GEEOMVMCXUAIFE-FCEWJHQRSA-N 1 3 338.455 2.620 10 30 EFEEHO C=CCOc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415126804 476909230 /nfs/dbraw/zinc/90/92/30/476909230.db2.gz MKAWTKCZDCKAFQ-UXHICEINSA-N 1 3 330.472 2.970 10 30 EFEEHO N#CCCCC[C@@H](N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000594426047 478378649 /nfs/dbraw/zinc/37/86/49/478378649.db2.gz ONZFLMVPRXDEAP-QGZVFWFLSA-N 1 3 334.508 2.703 10 30 EFEEHO N#CCCCC[C@H](N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000594440655 478389505 /nfs/dbraw/zinc/38/95/05/478389505.db2.gz HKBQMAPLXIVNBO-SFHVURJKSA-N 1 3 334.508 2.512 10 30 EFEEHO N#CCCCC[C@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000594440655 478389509 /nfs/dbraw/zinc/38/95/09/478389509.db2.gz HKBQMAPLXIVNBO-SFHVURJKSA-N 1 3 334.508 2.512 10 30 EFEEHO CC(C)[NH+]1CCC(O)(CNCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594497147 478411424 /nfs/dbraw/zinc/41/14/24/478411424.db2.gz CVGOMUCQEJIQRU-UHFFFAOYSA-N 1 3 329.488 2.813 10 30 EFEEHO CCN1CCN(CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594924115 478587679 /nfs/dbraw/zinc/58/76/79/478587679.db2.gz HIGTUHPBGWFAFC-UHFFFAOYSA-N 1 3 340.515 2.749 10 30 EFEEHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595067646 478649392 /nfs/dbraw/zinc/64/93/92/478649392.db2.gz HQNSROQLRZARFQ-KKSFZXQISA-N 1 3 335.451 2.976 10 30 EFEEHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595067646 478649397 /nfs/dbraw/zinc/64/93/97/478649397.db2.gz HQNSROQLRZARFQ-KKSFZXQISA-N 1 3 335.451 2.976 10 30 EFEEHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(C#N)c1 ZINC000595069885 478651099 /nfs/dbraw/zinc/65/10/99/478651099.db2.gz LWKJMWLAYUOZDB-KKSFZXQISA-N 1 3 335.451 2.976 10 30 EFEEHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(C#N)c1 ZINC000595069885 478651106 /nfs/dbraw/zinc/65/11/06/478651106.db2.gz LWKJMWLAYUOZDB-KKSFZXQISA-N 1 3 335.451 2.976 10 30 EFEEHO CN(C)CCC[N@H+](C)CCNc1cccc(Br)c1C#N ZINC000596425603 479290816 /nfs/dbraw/zinc/29/08/16/479290816.db2.gz RXTSJDZXOYRGFO-UHFFFAOYSA-N 1 3 339.281 2.616 10 30 EFEEHO CN(C)CCC[N@@H+](C)CCNc1cccc(Br)c1C#N ZINC000596425603 479290818 /nfs/dbraw/zinc/29/08/18/479290818.db2.gz RXTSJDZXOYRGFO-UHFFFAOYSA-N 1 3 339.281 2.616 10 30 EFEEHO CN(C)CCOc1ccc(C[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000610271290 480267337 /nfs/dbraw/zinc/26/73/37/480267337.db2.gz OIFNQSZEABAMFU-UHFFFAOYSA-N 1 3 339.439 2.667 10 30 EFEEHO C=CC[C@]1(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)CCC[NH2+]1 ZINC000662391673 481780365 /nfs/dbraw/zinc/78/03/65/481780365.db2.gz FDYZBPLVJRIQJX-AZUAARDMSA-N 1 3 329.488 2.884 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000667831533 481837301 /nfs/dbraw/zinc/83/73/01/481837301.db2.gz OMAJPZQEFAZDJI-UHFFFAOYSA-N 1 3 346.450 2.633 10 30 EFEEHO C=CC[C@@]1(C(=O)N2CCCN(CC3CCCCC3)CC2)CCC[NH2+]1 ZINC000662693128 481936765 /nfs/dbraw/zinc/93/67/65/481936765.db2.gz ZYBHQNRSDGKLRF-FQEVSTJZSA-N 1 3 333.520 2.799 10 30 EFEEHO C=CC[C@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000662719035 481946277 /nfs/dbraw/zinc/94/62/77/481946277.db2.gz VLBDWYIWPPUWMI-SLYNCCJLSA-N 1 3 341.499 2.854 10 30 EFEEHO C=CC[C@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000662719036 481947051 /nfs/dbraw/zinc/94/70/51/481947051.db2.gz VLBDWYIWPPUWMI-YFVAEKQCSA-N 1 3 341.499 2.854 10 30 EFEEHO CC[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000158475294 528820249 /nfs/dbraw/zinc/82/02/49/528820249.db2.gz FDEUFAUAIMGDCF-SWLSCSKDSA-N 1 3 337.537 2.544 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)[C@H](C)c2ccccc2)CC1 ZINC001691056071 1248313786 /nfs/dbraw/zinc/31/37/86/1248313786.db2.gz LUULVBQJIZJBRP-GOSISDBHSA-N 1 3 341.499 2.531 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC)[C@H](C)c2ccccc2)CC1 ZINC001691056071 1248313795 /nfs/dbraw/zinc/31/37/95/1248313795.db2.gz LUULVBQJIZJBRP-GOSISDBHSA-N 1 3 341.499 2.531 10 30 EFEEHO C=CCCC[N@@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001691226310 1248552332 /nfs/dbraw/zinc/55/23/32/1248552332.db2.gz WRGNQVFUUFAYFK-LJQANCHMSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCCC[N@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001691226310 1248552353 /nfs/dbraw/zinc/55/23/53/1248552353.db2.gz WRGNQVFUUFAYFK-LJQANCHMSA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001484384394 1252488961 /nfs/dbraw/zinc/48/89/61/1252488961.db2.gz NJZGSBYYEPWZGU-KDOFPFPSSA-N 1 3 349.906 2.798 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001484414998 1252569270 /nfs/dbraw/zinc/56/92/70/1252569270.db2.gz JSXNPHAVPUGIFZ-YRXWBPOGSA-N 1 3 333.520 2.606 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001484414998 1252569274 /nfs/dbraw/zinc/56/92/74/1252569274.db2.gz JSXNPHAVPUGIFZ-YRXWBPOGSA-N 1 3 333.520 2.606 10 30 EFEEHO C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)N1CCCCC1 ZINC001670933052 1258754314 /nfs/dbraw/zinc/75/43/14/1258754314.db2.gz OYSRDJYQSQLROT-YQQQUEKLSA-N 1 3 345.531 2.776 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](F)CN(CC)CC)C2)C1 ZINC001671038555 1259820713 /nfs/dbraw/zinc/82/07/13/1259820713.db2.gz DTIHHROTLQPARH-PKOBYXMFSA-N 1 3 339.499 2.557 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](F)CN(CC)CC)C2)C1 ZINC001671038555 1259820724 /nfs/dbraw/zinc/82/07/24/1259820724.db2.gz DTIHHROTLQPARH-PKOBYXMFSA-N 1 3 339.499 2.557 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001272817533 1260402157 /nfs/dbraw/zinc/40/21/57/1260402157.db2.gz OVEUYQFSHYZRGF-QZTJIDSGSA-N 1 3 335.536 2.852 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC2CCCC2)C(C)(C)C)CC1 ZINC001486424467 1263077198 /nfs/dbraw/zinc/07/71/98/1263077198.db2.gz NLJOPRQCCGKTGP-LJQANCHMSA-N 1 3 347.547 2.642 10 30 EFEEHO CC#CCN1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001486440919 1263151582 /nfs/dbraw/zinc/15/15/82/1263151582.db2.gz ANTBQGHYBVESOU-UYAOXDASSA-N 1 3 347.547 2.737 10 30 EFEEHO N#Cc1cc(Cl)cc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000903460674 1312715249 /nfs/dbraw/zinc/71/52/49/1312715249.db2.gz HMTMAORTQPWLEO-RYQLBKOJSA-N 1 3 333.863 2.930 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000876716536 1290987589 /nfs/dbraw/zinc/98/75/89/1290987589.db2.gz HBFQFGYZELLHHN-CQSZACIVSA-N 1 3 339.867 2.816 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000876737691 1290994650 /nfs/dbraw/zinc/99/46/50/1290994650.db2.gz VTOZZZVDOKZAGT-ZDUSSCGKSA-N 1 3 346.258 2.689 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000876753145 1291007973 /nfs/dbraw/zinc/00/79/73/1291007973.db2.gz BDDVZQXDYSHPCW-PVAVHDDUSA-N 1 3 335.879 2.626 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000876753145 1291007985 /nfs/dbraw/zinc/00/79/85/1291007985.db2.gz BDDVZQXDYSHPCW-PVAVHDDUSA-N 1 3 335.879 2.626 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000876903154 1291065890 /nfs/dbraw/zinc/06/58/90/1291065890.db2.gz RKSXVVZEWDWDMZ-SZMVWBNQSA-N 1 3 349.906 2.873 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000876903154 1291065897 /nfs/dbraw/zinc/06/58/97/1291065897.db2.gz RKSXVVZEWDWDMZ-SZMVWBNQSA-N 1 3 349.906 2.873 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201805 1291165545 /nfs/dbraw/zinc/16/55/45/1291165545.db2.gz RBQIMGXPUUNQDE-SFHVURJKSA-N 1 3 349.906 2.875 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877443538 1291236087 /nfs/dbraw/zinc/23/60/87/1291236087.db2.gz FUUATQBDRRYEQQ-BMFZPTHFSA-N 1 3 327.900 2.603 10 30 EFEEHO C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001273599024 1292116142 /nfs/dbraw/zinc/11/61/42/1292116142.db2.gz MSFZZGJKDOSMTL-RBUKOAKNSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001273599024 1292116144 /nfs/dbraw/zinc/11/61/44/1292116144.db2.gz MSFZZGJKDOSMTL-RBUKOAKNSA-N 1 3 335.536 2.855 10 30 EFEEHO Cc1cc(C#N)cc(C)c1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000930136582 1297236977 /nfs/dbraw/zinc/23/69/77/1297236977.db2.gz NWJDWJOGUYFKML-GHTZIAJQSA-N 1 3 340.515 2.633 10 30 EFEEHO Cc1cc(C#N)cc(C)c1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000930136584 1297237252 /nfs/dbraw/zinc/23/72/52/1297237252.db2.gz NWJDWJOGUYFKML-RXVVDRJESA-N 1 3 340.515 2.633 10 30 EFEEHO C=CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903980482 1313530783 /nfs/dbraw/zinc/53/07/83/1313530783.db2.gz STUMAVLKQOEZBO-BGYRXZFFSA-N 1 3 341.499 2.652 10 30 EFEEHO C=CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903980482 1313530786 /nfs/dbraw/zinc/53/07/86/1313530786.db2.gz STUMAVLKQOEZBO-BGYRXZFFSA-N 1 3 341.499 2.652 10 30 EFEEHO C=CCCCCCN1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001490441458 1298866540 /nfs/dbraw/zinc/86/65/40/1298866540.db2.gz CZRDMQUFYQYODJ-GOSISDBHSA-N 1 3 333.520 2.942 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001490602072 1299032818 /nfs/dbraw/zinc/03/28/18/1299032818.db2.gz UGBAWTHKSZMKRD-KRWDZBQOSA-N 1 3 333.520 2.798 10 30 EFEEHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001278183800 1313755145 /nfs/dbraw/zinc/75/51/45/1313755145.db2.gz CTNDRCHEOKLWQO-FQEVSTJZSA-N 1 3 347.547 2.833 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001278334063 1314138538 /nfs/dbraw/zinc/13/85/38/1314138538.db2.gz ADKYHGFSOLJQOP-LJQANCHMSA-N 1 3 330.476 2.623 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001278334063 1314138541 /nfs/dbraw/zinc/13/85/41/1314138541.db2.gz ADKYHGFSOLJQOP-LJQANCHMSA-N 1 3 330.476 2.623 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001278427365 1314574031 /nfs/dbraw/zinc/57/40/31/1314574031.db2.gz SFQGJBMDDIJTBM-MOPGFXCFSA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001278427365 1314574033 /nfs/dbraw/zinc/57/40/33/1314574033.db2.gz SFQGJBMDDIJTBM-MOPGFXCFSA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001278427367 1314574704 /nfs/dbraw/zinc/57/47/04/1314574704.db2.gz SFQGJBMDDIJTBM-RBUKOAKNSA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001278427367 1314574708 /nfs/dbraw/zinc/57/47/08/1314574708.db2.gz SFQGJBMDDIJTBM-RBUKOAKNSA-N 1 3 339.499 2.746 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001278613368 1315294015 /nfs/dbraw/zinc/29/40/15/1315294015.db2.gz KVQCDYOAYUJMRS-PKOBYXMFSA-N 1 3 347.547 2.642 10 30 EFEEHO C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001278741448 1315640472 /nfs/dbraw/zinc/64/04/72/1315640472.db2.gz OZLYCIGDUIQTKE-OAHLLOKOSA-N 1 3 343.462 2.510 10 30 EFEEHO C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001278741448 1315640473 /nfs/dbraw/zinc/64/04/73/1315640473.db2.gz OZLYCIGDUIQTKE-OAHLLOKOSA-N 1 3 343.462 2.510 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001264097827 1316589474 /nfs/dbraw/zinc/58/94/74/1316589474.db2.gz YMVHSAPKIZPCPO-AABGKKOBSA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001264097827 1316589476 /nfs/dbraw/zinc/58/94/76/1316589476.db2.gz YMVHSAPKIZPCPO-AABGKKOBSA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001265407293 1316801002 /nfs/dbraw/zinc/80/10/02/1316801002.db2.gz WXDXNIXJTXHKGK-INDMIFKZSA-N 1 3 333.520 2.891 10 30 EFEEHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001265407293 1316801005 /nfs/dbraw/zinc/80/10/05/1316801005.db2.gz WXDXNIXJTXHKGK-INDMIFKZSA-N 1 3 333.520 2.891 10 30 EFEEHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001265407294 1316801104 /nfs/dbraw/zinc/80/11/04/1316801104.db2.gz WXDXNIXJTXHKGK-OKYOBFRVSA-N 1 3 333.520 2.891 10 30 EFEEHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001265407294 1316801105 /nfs/dbraw/zinc/80/11/05/1316801105.db2.gz WXDXNIXJTXHKGK-OKYOBFRVSA-N 1 3 333.520 2.891 10 30 EFEEHO CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001265702858 1316861120 /nfs/dbraw/zinc/86/11/20/1316861120.db2.gz ISYYZBRZFHKMFF-ZWKOTPCHSA-N 1 3 347.547 2.879 10 30 EFEEHO CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001265702858 1316861123 /nfs/dbraw/zinc/86/11/23/1316861123.db2.gz ISYYZBRZFHKMFF-ZWKOTPCHSA-N 1 3 347.547 2.879 10 30 EFEEHO C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001266110101 1317050865 /nfs/dbraw/zinc/05/08/65/1317050865.db2.gz ANRWPGIVRFKFMD-APWZRJJASA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001266110101 1317050874 /nfs/dbraw/zinc/05/08/74/1317050874.db2.gz ANRWPGIVRFKFMD-APWZRJJASA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCC[NH2+]C[C@](C)(NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001318715741 1328675803 /nfs/dbraw/zinc/67/58/03/1328675803.db2.gz WTIJYJFEGBXINC-RBUKOAKNSA-N 1 3 339.499 2.650 10 30 EFEEHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001280373908 1317530529 /nfs/dbraw/zinc/53/05/29/1317530529.db2.gz DACYRBWLKCCVPR-BXWFABGCSA-N 1 3 339.499 2.650 10 30 EFEEHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001280373909 1317530599 /nfs/dbraw/zinc/53/05/99/1317530599.db2.gz DACYRBWLKCCVPR-GPMSIDNRSA-N 1 3 339.499 2.650 10 30 EFEEHO C=CCC[N@H+]1CCc2c(CNC(=O)[C@H](C(C)C)N(C)C)cccc2C1 ZINC001280427201 1317556188 /nfs/dbraw/zinc/55/61/88/1317556188.db2.gz VYDZVAUULKXAFF-FQEVSTJZSA-N 1 3 343.515 2.823 10 30 EFEEHO C=CCC[N@@H+]1CCc2c(CNC(=O)[C@H](C(C)C)N(C)C)cccc2C1 ZINC001280427201 1317556190 /nfs/dbraw/zinc/55/61/90/1317556190.db2.gz VYDZVAUULKXAFF-FQEVSTJZSA-N 1 3 343.515 2.823 10 30 EFEEHO C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001280890694 1317883128 /nfs/dbraw/zinc/88/31/28/1317883128.db2.gz XKKJDLSCSIDTGK-OALUTQOASA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001280890694 1317883138 /nfs/dbraw/zinc/88/31/38/1317883138.db2.gz XKKJDLSCSIDTGK-OALUTQOASA-N 1 3 335.536 2.996 10 30 EFEEHO C=CC[NH+]1CCC(CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001319031225 1328767794 /nfs/dbraw/zinc/76/77/94/1328767794.db2.gz FFNVLKOGVUIKTN-IBGZPJMESA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCCC[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC001281795797 1318587247 /nfs/dbraw/zinc/58/72/47/1318587247.db2.gz DIGLRIFMEBZEHC-LJQANCHMSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001281980415 1318647291 /nfs/dbraw/zinc/64/72/91/1318647291.db2.gz IGHGLEJYWFCTFU-IBGZPJMESA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001281980415 1318647299 /nfs/dbraw/zinc/64/72/99/1318647299.db2.gz IGHGLEJYWFCTFU-IBGZPJMESA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001319144144 1328790088 /nfs/dbraw/zinc/79/00/88/1328790088.db2.gz BFNYMJYKLYJDLP-GOSISDBHSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001319144144 1328790094 /nfs/dbraw/zinc/79/00/94/1328790094.db2.gz BFNYMJYKLYJDLP-GOSISDBHSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001282744687 1319106847 /nfs/dbraw/zinc/10/68/47/1319106847.db2.gz PYMHENGOEFWBKZ-KXBFYZLASA-N 1 3 339.499 2.602 10 30 EFEEHO C=CCCC[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001282833499 1319151007 /nfs/dbraw/zinc/15/10/07/1319151007.db2.gz LCWIBAVXLIDAOT-ZWKOTPCHSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCCC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001282833499 1319151012 /nfs/dbraw/zinc/15/10/12/1319151012.db2.gz LCWIBAVXLIDAOT-ZWKOTPCHSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001319412466 1328877469 /nfs/dbraw/zinc/87/74/69/1328877469.db2.gz PVMJTTAZBHLLDC-UHFFFAOYSA-N 1 3 333.520 2.753 10 30 EFEEHO CC#CCN1CCC([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001284720013 1320491690 /nfs/dbraw/zinc/49/16/90/1320491690.db2.gz UREAETNSYRMEGJ-SFHVURJKSA-N 1 3 347.547 2.881 10 30 EFEEHO CC#CCN1CCC([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001284720013 1320491694 /nfs/dbraw/zinc/49/16/94/1320491694.db2.gz UREAETNSYRMEGJ-SFHVURJKSA-N 1 3 347.547 2.881 10 30 EFEEHO C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001319773898 1328984426 /nfs/dbraw/zinc/98/44/26/1328984426.db2.gz GEOMCYNBMQQRPU-APWZRJJASA-N 1 3 339.499 2.746 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001316666757 1323711750 /nfs/dbraw/zinc/71/17/50/1323711750.db2.gz KUJMTEVOOOLPLH-CMKODMSKSA-N 1 3 345.531 2.561 10 30 EFEEHO C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001320549452 1329160563 /nfs/dbraw/zinc/16/05/63/1329160563.db2.gz RXJUSVWFYUNMEW-MAUKXSAKSA-N 1 3 327.488 2.650 10 30 EFEEHO C=CC[C@@H](C)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001307503622 1324770816 /nfs/dbraw/zinc/77/08/16/1324770816.db2.gz IYGUURMGBYIRNT-GOSISDBHSA-N 1 3 343.515 2.911 10 30 EFEEHO C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317106657 1325577711 /nfs/dbraw/zinc/57/77/11/1325577711.db2.gz YSDXQROHSYYCGK-QUCCMNQESA-N 1 3 345.531 2.587 10 30 EFEEHO C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317106657 1325577718 /nfs/dbraw/zinc/57/77/18/1325577718.db2.gz YSDXQROHSYYCGK-QUCCMNQESA-N 1 3 345.531 2.587 10 30 EFEEHO C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001317191621 1327712020 /nfs/dbraw/zinc/71/20/20/1327712020.db2.gz IPHSGXBGLGJEHM-LPHOPBHVSA-N 1 3 339.499 2.746 10 30 EFEEHO C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)NCC#Cc1ccccc1 ZINC001317293540 1327827370 /nfs/dbraw/zinc/82/73/70/1327827370.db2.gz HBZPEGPQOLCBBG-GOSISDBHSA-N 1 3 349.478 2.508 10 30 EFEEHO CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)N1CCCCC1 ZINC001323658250 1329559414 /nfs/dbraw/zinc/55/94/14/1329559414.db2.gz SJDNEDSNFPUNDK-YQQQUEKLSA-N 1 3 345.531 2.776 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001323858647 1329579875 /nfs/dbraw/zinc/57/98/75/1329579875.db2.gz QHBRFCPSKUWEGO-MJGOQNOKSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001323858647 1329579876 /nfs/dbraw/zinc/57/98/76/1329579876.db2.gz QHBRFCPSKUWEGO-MJGOQNOKSA-N 1 3 333.520 2.750 10 30 EFEEHO C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001324557606 1329639885 /nfs/dbraw/zinc/63/98/85/1329639885.db2.gz STBALPZSORHLCL-NRFANRHFSA-N 1 3 347.547 2.692 10 30 EFEEHO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001324557606 1329639887 /nfs/dbraw/zinc/63/98/87/1329639887.db2.gz STBALPZSORHLCL-NRFANRHFSA-N 1 3 347.547 2.692 10 30 EFEEHO C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001325508699 1329692979 /nfs/dbraw/zinc/69/29/79/1329692979.db2.gz LIASHPCBNUWIGY-ROUUACIJSA-N 1 3 335.536 2.901 10 30 EFEEHO C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001327307450 1330456747 /nfs/dbraw/zinc/45/67/47/1330456747.db2.gz CZEGYZNBAWEKPW-OALUTQOASA-N 1 3 347.547 2.691 10 30 EFEEHO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001327307450 1330456750 /nfs/dbraw/zinc/45/67/50/1330456750.db2.gz CZEGYZNBAWEKPW-OALUTQOASA-N 1 3 347.547 2.691 10 30 EFEEHO CC#CCN1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001328079658 1330551165 /nfs/dbraw/zinc/55/11/65/1330551165.db2.gz DMJQQNOHLOBTGI-SFHVURJKSA-N 1 3 347.547 2.879 10 30 EFEEHO CC#CCN1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001328079658 1330551168 /nfs/dbraw/zinc/55/11/68/1330551168.db2.gz DMJQQNOHLOBTGI-SFHVURJKSA-N 1 3 347.547 2.879 10 30 EFEEHO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001328795722 1330632882 /nfs/dbraw/zinc/63/28/82/1330632882.db2.gz DFZMBVBSUNZVNL-IBGZPJMESA-N 1 3 329.488 2.861 10 30 EFEEHO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001328795722 1330632889 /nfs/dbraw/zinc/63/28/89/1330632889.db2.gz DFZMBVBSUNZVNL-IBGZPJMESA-N 1 3 329.488 2.861 10 30 EFEEHO C=C(C)CC[NH2+]CC1CC(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001328961794 1330650740 /nfs/dbraw/zinc/65/07/40/1330650740.db2.gz XLOQABIAWJQUOP-UHFFFAOYSA-N 1 3 329.488 2.812 10 30 EFEEHO C#CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC001331175882 1330801903 /nfs/dbraw/zinc/80/19/03/1330801903.db2.gz DPGYHCMPHCSGKS-PMACEKPBSA-N 1 3 341.499 2.720 10 30 EFEEHO CC#CCN1CC[C@]2(NC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001332101300 1330920483 /nfs/dbraw/zinc/92/04/83/1330920483.db2.gz SXPJDTUNRWGNOK-TZIWHRDSSA-N 1 3 345.531 2.778 10 30 EFEEHO CC#CCN1CC[C@]2(NC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001332101300 1330920487 /nfs/dbraw/zinc/92/04/87/1330920487.db2.gz SXPJDTUNRWGNOK-TZIWHRDSSA-N 1 3 345.531 2.778 10 30 EFEEHO C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]21 ZINC001332151105 1330929272 /nfs/dbraw/zinc/92/92/72/1330929272.db2.gz YGZKHFCVIUGITK-KZNAEPCWSA-N 1 3 335.536 2.757 10 30 EFEEHO C=CCC[NH2+][C@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC001332424722 1330970422 /nfs/dbraw/zinc/97/04/22/1330970422.db2.gz UYPALISRTKFPPB-HNAYVOBHSA-N 1 3 339.499 2.602 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001367321184 1338618843 /nfs/dbraw/zinc/61/88/43/1338618843.db2.gz DFLMVHCCGSYGAD-HZPDHXFCSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001367321184 1338618844 /nfs/dbraw/zinc/61/88/44/1338618844.db2.gz DFLMVHCCGSYGAD-HZPDHXFCSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001374437739 1341920914 /nfs/dbraw/zinc/92/09/14/1341920914.db2.gz DSGNZWXPAHGYFA-CVEARBPZSA-N 1 3 329.916 2.732 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001374437739 1341920916 /nfs/dbraw/zinc/92/09/16/1341920916.db2.gz DSGNZWXPAHGYFA-CVEARBPZSA-N 1 3 329.916 2.732 10 30 EFEEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001377846068 1344502661 /nfs/dbraw/zinc/50/26/61/1344502661.db2.gz ADYDWNDIEJPEPK-JKSUJKDBSA-N 1 3 344.503 2.519 10 30 EFEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001394369462 1357742661 /nfs/dbraw/zinc/74/26/61/1357742661.db2.gz PTPQNUYYHBSDPA-WKILWMFISA-N 1 3 341.927 2.735 10 30 EFEEHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001394449568 1357830116 /nfs/dbraw/zinc/83/01/16/1357830116.db2.gz MPQGQNFOBCLHJN-WBVHZDCISA-N 1 3 341.927 2.830 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001400969413 1362307785 /nfs/dbraw/zinc/30/77/85/1362307785.db2.gz AWOBQNCOQJZOQA-CVEARBPZSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001400969413 1362307791 /nfs/dbraw/zinc/30/77/91/1362307791.db2.gz AWOBQNCOQJZOQA-CVEARBPZSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNC[C@](C)(NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001401072347 1362412915 /nfs/dbraw/zinc/41/29/15/1362412915.db2.gz JCWZMMPCUSTEHD-YJBOKZPZSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C(C)C ZINC001402000376 1363318533 /nfs/dbraw/zinc/31/85/33/1363318533.db2.gz OBNODACTSSLOFG-MQVJKMGUSA-N 1 3 327.900 2.581 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001402386150 1363642761 /nfs/dbraw/zinc/64/27/61/1363642761.db2.gz UYCMONZWDLCUCY-SJORKVTESA-N 1 3 341.927 2.734 10 30 EFEEHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001403525550 1364731238 /nfs/dbraw/zinc/73/12/38/1364731238.db2.gz LCUILOAMMCYUPW-SJORKVTESA-N 1 3 341.927 2.828 10 30 EFEEHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001403525550 1364731239 /nfs/dbraw/zinc/73/12/39/1364731239.db2.gz LCUILOAMMCYUPW-SJORKVTESA-N 1 3 341.927 2.828 10 30 EFEEHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C)N(C)C ZINC001403988132 1365137724 /nfs/dbraw/zinc/13/77/24/1365137724.db2.gz LMQYGLUKOWNGOU-MSOLQXFVSA-N 1 3 344.503 2.519 10 30 EFEEHO C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001420748639 1377594434 /nfs/dbraw/zinc/59/44/34/1377594434.db2.gz VMOWLNMUTJMZEF-ZBFHGGJFSA-N 1 3 347.906 2.636 10 30 EFEEHO C=C(Cl)CNC[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)(C)C ZINC001423599001 1382142986 /nfs/dbraw/zinc/14/29/86/1382142986.db2.gz FPRKKFIRUYOZGD-GJZGRUSLSA-N 1 3 329.916 2.734 10 30 EFEEHO C=C(Cl)CNC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C(C)(C)C ZINC001423599001 1382142988 /nfs/dbraw/zinc/14/29/88/1382142988.db2.gz FPRKKFIRUYOZGD-GJZGRUSLSA-N 1 3 329.916 2.734 10 30 EFEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001425401406 1383647936 /nfs/dbraw/zinc/64/79/36/1383647936.db2.gz ASIFSIUPRFWIPA-WKILWMFISA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001425401406 1383647941 /nfs/dbraw/zinc/64/79/41/1383647941.db2.gz ASIFSIUPRFWIPA-WKILWMFISA-N 1 3 341.927 2.878 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001506865089 1406372721 /nfs/dbraw/zinc/37/27/21/1406372721.db2.gz IAMVMNLRCLPOLV-MSOLQXFVSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001506865089 1406372724 /nfs/dbraw/zinc/37/27/24/1406372724.db2.gz IAMVMNLRCLPOLV-MSOLQXFVSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCC[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001460888035 1396266595 /nfs/dbraw/zinc/26/65/95/1396266595.db2.gz YFWAHXXOIHUYOH-RBUKOAKNSA-N 1 3 329.488 2.836 10 30 EFEEHO C=CCC[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001460888035 1396266601 /nfs/dbraw/zinc/26/66/01/1396266601.db2.gz YFWAHXXOIHUYOH-RBUKOAKNSA-N 1 3 329.488 2.836 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001479501653 1397739334 /nfs/dbraw/zinc/73/93/34/1397739334.db2.gz LWYYZHCEWHUMMU-OALUTQOASA-N 1 3 347.547 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)CCC2CCCCC2)CC1 ZINC001479815987 1397910944 /nfs/dbraw/zinc/91/09/44/1397910944.db2.gz PWNJRTSGFVBVGY-UHFFFAOYSA-N 1 3 347.547 2.740 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@H+](C)CCC2CCCCC2)CC1 ZINC001479815987 1397910945 /nfs/dbraw/zinc/91/09/45/1397910945.db2.gz PWNJRTSGFVBVGY-UHFFFAOYSA-N 1 3 347.547 2.740 10 30 EFEEHO C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001480086417 1398124018 /nfs/dbraw/zinc/12/40/18/1398124018.db2.gz XVRIGEYVBDAJNI-VQIMIIECSA-N 1 3 339.499 2.555 10 30 EFEEHO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001480086417 1398124022 /nfs/dbraw/zinc/12/40/22/1398124022.db2.gz XVRIGEYVBDAJNI-VQIMIIECSA-N 1 3 339.499 2.555 10 30 EFEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480826638 1398335769 /nfs/dbraw/zinc/33/57/69/1398335769.db2.gz MSUBRDQIVHLHBR-MRXNPFEDSA-N 1 3 341.927 2.974 10 30 EFEEHO C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]21 ZINC001507361160 1406952905 /nfs/dbraw/zinc/95/29/05/1406952905.db2.gz AUWPGNAAQQXAKG-FGTMMUONSA-N 1 3 335.536 2.757 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](CC/C=C/CCC)C2)CC1 ZINC001493266344 1398574810 /nfs/dbraw/zinc/57/48/10/1398574810.db2.gz FGHHZWZSLBRAMR-OVKVCFKUSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](CC/C=C/CCC)C2)CC1 ZINC001493266344 1398574818 /nfs/dbraw/zinc/57/48/18/1398574818.db2.gz FGHHZWZSLBRAMR-OVKVCFKUSA-N 1 3 345.531 2.516 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001493904411 1398969907 /nfs/dbraw/zinc/96/99/07/1398969907.db2.gz HEPNZFDFKGLBSD-OALUTQOASA-N 1 3 329.488 2.740 10 30 EFEEHO C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001493979378 1399033004 /nfs/dbraw/zinc/03/30/04/1399033004.db2.gz XSNOTARRKIYOKJ-FQEVSTJZSA-N 1 3 341.499 2.698 10 30 EFEEHO C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001493979378 1399033006 /nfs/dbraw/zinc/03/30/06/1399033006.db2.gz XSNOTARRKIYOKJ-FQEVSTJZSA-N 1 3 341.499 2.698 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCCCC)[C@H]2C)CC1 ZINC001507388827 1407000740 /nfs/dbraw/zinc/00/07/40/1407000740.db2.gz VDGHMCVPSXRXPD-AZUAARDMSA-N 1 3 347.547 2.881 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCCCC)[C@H]2C)CC1 ZINC001507388827 1407000748 /nfs/dbraw/zinc/00/07/48/1407000748.db2.gz VDGHMCVPSXRXPD-AZUAARDMSA-N 1 3 347.547 2.881 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001494792188 1399469884 /nfs/dbraw/zinc/46/98/84/1399469884.db2.gz RQXIKCQGNDPSEQ-VQIMIIECSA-N 1 3 329.488 2.907 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001494792188 1399469886 /nfs/dbraw/zinc/46/98/86/1399469886.db2.gz RQXIKCQGNDPSEQ-VQIMIIECSA-N 1 3 329.488 2.907 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001495167125 1399710363 /nfs/dbraw/zinc/71/03/63/1399710363.db2.gz FQDDBTABFKMUNP-CVEARBPZSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001495167125 1399710364 /nfs/dbraw/zinc/71/03/64/1399710364.db2.gz FQDDBTABFKMUNP-CVEARBPZSA-N 1 3 339.911 2.774 10 30 EFEEHO C=CCCC[NH2+]C[C@@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@H]1C ZINC001495327856 1399855853 /nfs/dbraw/zinc/85/58/53/1399855853.db2.gz WVNKUOVXBISSOD-BEFAXECRSA-N 1 3 332.492 2.882 10 30 EFEEHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001495509433 1400042276 /nfs/dbraw/zinc/04/22/76/1400042276.db2.gz QAEMWJCQXKHWQQ-IBGZPJMESA-N 1 3 329.488 2.843 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC/C=C/CC)CC1 ZINC001496918679 1401101894 /nfs/dbraw/zinc/10/18/94/1401101894.db2.gz QKCWEQXIWBUTDV-MNVMYWNISA-N 1 3 345.531 2.562 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCCCC)CC1 ZINC001498506567 1402152070 /nfs/dbraw/zinc/15/20/70/1402152070.db2.gz ZFWGMEFWPBQSKC-PMACEKPBSA-N 1 3 347.547 2.786 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CCN(CC(=C)C)CC1 ZINC001500051930 1402914713 /nfs/dbraw/zinc/91/47/13/1402914713.db2.gz MZXWYCIZDXWJGG-ICSRJNTNSA-N 1 3 343.515 2.506 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CCN(CC(=C)C)CC1 ZINC001500051930 1402914716 /nfs/dbraw/zinc/91/47/16/1402914716.db2.gz MZXWYCIZDXWJGG-ICSRJNTNSA-N 1 3 343.515 2.506 10 30 EFEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CC/C=C/CC)CC1 ZINC001500057271 1402916696 /nfs/dbraw/zinc/91/66/96/1402916696.db2.gz FXMZWANNTNQPNL-CMDGGOBGSA-N 1 3 333.520 2.609 10 30 EFEEHO C=CCCC[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCC1 ZINC001501999663 1403938992 /nfs/dbraw/zinc/93/89/92/1403938992.db2.gz BLCCKUWPLLZDJI-IBGZPJMESA-N 1 3 339.499 2.794 10 30 EFEEHO CC#CCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001502831262 1404383130 /nfs/dbraw/zinc/38/31/30/1404383130.db2.gz YKLNFIKDCASXIT-GOSISDBHSA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001502837105 1404396480 /nfs/dbraw/zinc/39/64/80/1404396480.db2.gz XJQUQXSUTCDVSM-PBHICJAKSA-N 1 3 332.492 2.832 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001502837105 1404396488 /nfs/dbraw/zinc/39/64/88/1404396488.db2.gz XJQUQXSUTCDVSM-PBHICJAKSA-N 1 3 332.492 2.832 10 30 EFEEHO C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001505446984 1404641183 /nfs/dbraw/zinc/64/11/83/1404641183.db2.gz WUWZMCIFXQSBNY-APWZRJJASA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001505446984 1404641195 /nfs/dbraw/zinc/64/11/95/1404641195.db2.gz WUWZMCIFXQSBNY-APWZRJJASA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001565908709 1415448218 /nfs/dbraw/zinc/44/82/18/1415448218.db2.gz WOEWPJWARYUNPI-FRQCXROJSA-N 1 3 339.499 2.650 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001565943309 1415461677 /nfs/dbraw/zinc/46/16/77/1415461677.db2.gz OZYNLWXPNAQQDR-GDBMZVCRSA-N 1 3 329.916 2.686 10 30 EFEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001566002271 1415479072 /nfs/dbraw/zinc/47/90/72/1415479072.db2.gz VTYOLRLXDNLBFO-GJZGRUSLSA-N 1 3 349.441 2.519 10 30 EFEEHO C=CCN(C)C[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001566124112 1415522540 /nfs/dbraw/zinc/52/25/40/1415522540.db2.gz HCCGZVBIEHBEQQ-FQEVSTJZSA-N 1 3 343.515 2.903 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCCC(C)C)C2)CC1 ZINC001567178991 1415973407 /nfs/dbraw/zinc/97/34/07/1415973407.db2.gz ULDAIYIKDOETPS-PMACEKPBSA-N 1 3 347.547 2.785 10 30 EFEEHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001568121268 1416418047 /nfs/dbraw/zinc/41/80/47/1416418047.db2.gz SUYDKZPWMVGNHK-FQEVSTJZSA-N 1 3 347.478 2.791 10 30 EFEEHO C=CCC[N@@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001691752082 1416665972 /nfs/dbraw/zinc/66/59/72/1416665972.db2.gz YNFINQZQGCSVBC-LJQANCHMSA-N 1 3 341.515 2.992 10 30 EFEEHO C=CCC[N@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001691752082 1416665974 /nfs/dbraw/zinc/66/59/74/1416665974.db2.gz YNFINQZQGCSVBC-LJQANCHMSA-N 1 3 341.515 2.992 10 30 EFEEHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001690356620 1417195010 /nfs/dbraw/zinc/19/50/10/1417195010.db2.gz PHMSNZSCMDOPKL-OAFZBRQQSA-N 1 3 339.499 2.790 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]([C@H](C)CCC=C)C2)CC1 ZINC001690393876 1417209143 /nfs/dbraw/zinc/20/91/43/1417209143.db2.gz NVEVNRNRYPHCGQ-RTBURBONSA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001690393876 1417209144 /nfs/dbraw/zinc/20/91/44/1417209144.db2.gz NVEVNRNRYPHCGQ-RTBURBONSA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001699672803 1417446256 /nfs/dbraw/zinc/44/62/56/1417446256.db2.gz FITVQLMJEFABSQ-UXHICEINSA-N 1 3 345.531 2.589 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001700089857 1417561914 /nfs/dbraw/zinc/56/19/14/1417561914.db2.gz CKYLROYQNNUEJI-VQTJNVASSA-N 1 3 341.499 2.938 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001700089857 1417561916 /nfs/dbraw/zinc/56/19/16/1417561916.db2.gz CKYLROYQNNUEJI-VQTJNVASSA-N 1 3 341.499 2.938 10 30 EFEEHO C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN(C)CCCCCC ZINC001713271296 1418438590 /nfs/dbraw/zinc/43/85/90/1418438590.db2.gz IEKVVEBKZWPXGR-WOJBJXKFSA-N 1 3 347.547 2.977 10 30 EFEEHO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN(C)CCCCCC ZINC001713271296 1418438592 /nfs/dbraw/zinc/43/85/92/1418438592.db2.gz IEKVVEBKZWPXGR-WOJBJXKFSA-N 1 3 347.547 2.977 10 30 EFEEHO C=CCCC[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001716726445 1418977351 /nfs/dbraw/zinc/97/73/51/1418977351.db2.gz LEQUXAJDCSOTAD-UHFFFAOYSA-N 1 3 333.520 2.751 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001716735414 1418984451 /nfs/dbraw/zinc/98/44/51/1418984451.db2.gz POJWRVGJLMVKJO-HXUWFJFHSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001716735414 1418984453 /nfs/dbraw/zinc/98/44/53/1418984453.db2.gz POJWRVGJLMVKJO-HXUWFJFHSA-N 1 3 335.536 2.855 10 30 EFEEHO C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN1C(C)C ZINC001717005101 1419141077 /nfs/dbraw/zinc/14/10/77/1419141077.db2.gz NKLIKNBMEYREBT-FQEVSTJZSA-N 1 3 341.499 2.501 10 30 EFEEHO CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001717036509 1419169204 /nfs/dbraw/zinc/16/92/04/1419169204.db2.gz URKWCMLTFACUSO-VQTJNVASSA-N 1 3 345.531 2.730 10 30 EFEEHO CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001717036509 1419169208 /nfs/dbraw/zinc/16/92/08/1419169208.db2.gz URKWCMLTFACUSO-VQTJNVASSA-N 1 3 345.531 2.730 10 30 EFEEHO C#CCN[C@H](C)c1ccc(CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001717115415 1419219233 /nfs/dbraw/zinc/21/92/33/1419219233.db2.gz LQORTMOQFVGYRE-QGZVFWFLSA-N 1 3 341.499 2.851 10 30 EFEEHO C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001717122339 1419224597 /nfs/dbraw/zinc/22/45/97/1419224597.db2.gz AGILBNXEXWZCJX-VJANTYMQSA-N 1 3 335.536 2.948 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)CCC[NH2+]CC2=CCCCC2)CC1 ZINC001717695221 1419511389 /nfs/dbraw/zinc/51/13/89/1419511389.db2.gz CUTYZVNTZLPIHE-GOSISDBHSA-N 1 3 345.531 2.707 10 30 EFEEHO C=CCNCc1ccc(CNC(=O)CC[C@H]2CCC[N@H+]2C)c(F)c1 ZINC001718034966 1419672800 /nfs/dbraw/zinc/67/28/00/1419672800.db2.gz VDMXHZQXSHGEQP-QGZVFWFLSA-N 1 3 333.451 2.592 10 30 EFEEHO C=CCNCc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)c(F)c1 ZINC001718034966 1419672801 /nfs/dbraw/zinc/67/28/01/1419672801.db2.gz VDMXHZQXSHGEQP-QGZVFWFLSA-N 1 3 333.451 2.592 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001723689707 1424557507 /nfs/dbraw/zinc/55/75/07/1424557507.db2.gz BNEAVYJZXNYNST-VQIMIIECSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001723689707 1424557510 /nfs/dbraw/zinc/55/75/10/1424557510.db2.gz BNEAVYJZXNYNST-VQIMIIECSA-N 1 3 330.476 2.621 10 30 EFEEHO C#CCN(C(=O)CN1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCC(=C)C)CC1 ZINC001724064667 1424642917 /nfs/dbraw/zinc/64/29/17/1424642917.db2.gz HLUSQQYYYDGABS-OALUTQOASA-N 1 3 345.531 2.752 10 30 EFEEHO C=CCN1CCC[C@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001724341060 1424741891 /nfs/dbraw/zinc/74/18/91/1424741891.db2.gz PNBOGHNSKPLDGA-HXUWFJFHSA-N 1 3 333.520 2.513 10 30 EFEEHO C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001724564997 1424799281 /nfs/dbraw/zinc/79/92/81/1424799281.db2.gz WFCWMMCCDAXZRY-VQIMIIECSA-N 1 3 329.488 2.765 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001724607092 1424825015 /nfs/dbraw/zinc/82/50/15/1424825015.db2.gz NMZAPPFZPHCHKP-FHWLQOOXSA-N 1 3 335.536 2.949 10 30 EFEEHO C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001724737589 1424963453 /nfs/dbraw/zinc/96/34/53/1424963453.db2.gz QHTYKVIKFPATGO-HXUWFJFHSA-N 1 3 341.499 2.653 10 30 EFEEHO C=C(C)CC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001724948988 1425157425 /nfs/dbraw/zinc/15/74/25/1425157425.db2.gz QUWPBEAONLCTSJ-APWZRJJASA-N 1 3 329.488 2.765 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000908274801 727148165 /nfs/dbraw/zinc/14/81/65/727148165.db2.gz BWFKEUMIJGHWAF-IEBWSBKVSA-N 1 3 327.472 2.637 10 30 EFEEHO C=CCN1CCC(NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000917137287 727776035 /nfs/dbraw/zinc/77/60/35/727776035.db2.gz NYZNGIHLRXBDBX-UHFFFAOYSA-N 1 3 348.535 2.733 10 30 EFEEHO C#CCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941238650 727926267 /nfs/dbraw/zinc/92/62/67/727926267.db2.gz ZERFZFDITKOKMA-IBGZPJMESA-N 1 3 341.499 2.602 10 30 EFEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941238650 727926268 /nfs/dbraw/zinc/92/62/68/727926268.db2.gz ZERFZFDITKOKMA-IBGZPJMESA-N 1 3 341.499 2.602 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(=C)C)CC2(C)C)CC1 ZINC000941239632 727926757 /nfs/dbraw/zinc/92/67/57/727926757.db2.gz QYMHFKHGSGXCIW-LJQANCHMSA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(=C)C)CC2(C)C)CC1 ZINC000941239632 727926758 /nfs/dbraw/zinc/92/67/58/727926758.db2.gz QYMHFKHGSGXCIW-LJQANCHMSA-N 1 3 345.531 2.515 10 30 EFEEHO C=CCN1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000940918321 728329479 /nfs/dbraw/zinc/32/94/79/728329479.db2.gz OJKDRNDEOBOVOP-LJQANCHMSA-N 1 3 343.515 2.807 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001569437123 1085213468 /nfs/dbraw/zinc/21/34/68/1085213468.db2.gz PRDGZKALEFWOPF-UYAOXDASSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001569437123 1085213478 /nfs/dbraw/zinc/21/34/78/1085213478.db2.gz PRDGZKALEFWOPF-UYAOXDASSA-N 1 3 347.547 2.997 10 30 EFEEHO C#CCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CC(CC)CC)CC1 ZINC001569593411 1085414893 /nfs/dbraw/zinc/41/48/93/1085414893.db2.gz YLIXYYQJENDIIX-GOSISDBHSA-N 1 3 347.547 2.691 10 30 EFEEHO C#CCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](CC(CC)CC)CC1 ZINC001569593412 1085417078 /nfs/dbraw/zinc/41/70/78/1085417078.db2.gz YLIXYYQJENDIIX-SFHVURJKSA-N 1 3 347.547 2.691 10 30 EFEEHO C#CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1CCN(CC(=C)C)CC1 ZINC001569595142 1085417835 /nfs/dbraw/zinc/41/78/35/1085417835.db2.gz FGOOZULSYGFIPY-UHFFFAOYSA-N 1 3 345.531 2.609 10 30 EFEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@H]1C)C1CC[NH+](CCCCC)CC1 ZINC001569595964 1085419241 /nfs/dbraw/zinc/41/92/41/1085419241.db2.gz IZHBKEYQFQWRBL-RTBURBONSA-N 1 3 347.547 2.976 10 30 EFEEHO C=CCCC[N@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001569648583 1085482711 /nfs/dbraw/zinc/48/27/11/1085482711.db2.gz WXJUMUDXASMEJZ-RBUKOAKNSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001569648583 1085482719 /nfs/dbraw/zinc/48/27/19/1085482719.db2.gz WXJUMUDXASMEJZ-RBUKOAKNSA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(C)C[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1CC ZINC001569802442 1085619232 /nfs/dbraw/zinc/61/92/32/1085619232.db2.gz VHFLTHFDHZMMIW-YLJYHZDGSA-N 1 3 343.515 2.914 10 30 EFEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001570031372 1085881939 /nfs/dbraw/zinc/88/19/39/1085881939.db2.gz NCPWOMQYQBDPTR-LSTHTHJFSA-N 1 3 341.499 2.707 10 30 EFEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)cc1 ZINC001570031372 1085881946 /nfs/dbraw/zinc/88/19/46/1085881946.db2.gz NCPWOMQYQBDPTR-LSTHTHJFSA-N 1 3 341.499 2.707 10 30 EFEEHO C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)CC1 ZINC001570056837 1085911440 /nfs/dbraw/zinc/91/14/40/1085911440.db2.gz CEKRNMGGIDLOFR-GOSISDBHSA-N 1 3 333.520 2.751 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001570219633 1086060943 /nfs/dbraw/zinc/06/09/43/1086060943.db2.gz FEMFAQJFQOCLBH-MOPGFXCFSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001570219633 1086060950 /nfs/dbraw/zinc/06/09/50/1086060950.db2.gz FEMFAQJFQOCLBH-MOPGFXCFSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001570520580 1086305724 /nfs/dbraw/zinc/30/57/24/1086305724.db2.gz ILJODSBLOAVHPX-AQNXPRMDSA-N 1 3 343.515 2.911 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001570653294 1086437468 /nfs/dbraw/zinc/43/74/68/1086437468.db2.gz PKACBCCWOQPPPO-ZWKOTPCHSA-N 1 3 347.547 2.785 10 30 EFEEHO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001570736103 1086490926 /nfs/dbraw/zinc/49/09/26/1086490926.db2.gz QYXIUSSBVSLGNP-CRAIPNDOSA-N 1 3 327.488 2.602 10 30 EFEEHO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001570736103 1086490928 /nfs/dbraw/zinc/49/09/28/1086490928.db2.gz QYXIUSSBVSLGNP-CRAIPNDOSA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC001571059529 1086658081 /nfs/dbraw/zinc/65/80/81/1086658081.db2.gz MMXYOPNCKRRQLA-DZFGPLHGSA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC001571059529 1086658082 /nfs/dbraw/zinc/65/80/82/1086658082.db2.gz MMXYOPNCKRRQLA-DZFGPLHGSA-N 1 3 347.547 2.996 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC001571508771 1086914838 /nfs/dbraw/zinc/91/48/38/1086914838.db2.gz JMITZNMWZLEGKS-RCCFBDPRSA-N 1 3 333.520 2.654 10 30 EFEEHO C=C(C)C[N@@H+](C)CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001571614779 1086989427 /nfs/dbraw/zinc/98/94/27/1086989427.db2.gz SZSVWAUOLUYJEN-LJQANCHMSA-N 1 3 341.515 2.944 10 30 EFEEHO C=C(C)C[N@H+](C)CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001571614779 1086989432 /nfs/dbraw/zinc/98/94/32/1086989432.db2.gz SZSVWAUOLUYJEN-LJQANCHMSA-N 1 3 341.515 2.944 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CCCCC)C(C)(C)C)CC1 ZINC001571638502 1087009503 /nfs/dbraw/zinc/00/95/03/1087009503.db2.gz SDTRTAQYRHPNOJ-SFHVURJKSA-N 1 3 335.536 2.642 10 30 EFEEHO C=CCNCc1ccc(CNC(=O)CC[NH+]2CCCCC2)c(F)c1 ZINC001571704139 1087078561 /nfs/dbraw/zinc/07/85/61/1087078561.db2.gz IOIOKAAQNWDCRJ-UHFFFAOYSA-N 1 3 333.451 2.594 10 30 EFEEHO C#CCCN[C@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)c1ccccc1 ZINC001267518886 1095203616 /nfs/dbraw/zinc/20/36/16/1095203616.db2.gz DWBFBWBCZZHRII-VQTJNVASSA-N 1 3 341.499 2.579 10 30 EFEEHO C#CCCN[C@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC001267518886 1095203626 /nfs/dbraw/zinc/20/36/26/1095203626.db2.gz DWBFBWBCZZHRII-VQTJNVASSA-N 1 3 341.499 2.579 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001267521176 1095228681 /nfs/dbraw/zinc/22/86/81/1095228681.db2.gz WHIVQSVSMKYZFC-SFHVURJKSA-N 1 3 329.488 2.884 10 30 EFEEHO C#CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1CCCCC1 ZINC001268118974 1095404289 /nfs/dbraw/zinc/40/42/89/1095404289.db2.gz GTOSBYSQARYFMN-GOSISDBHSA-N 1 3 333.520 2.539 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@H]2CC[N@@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001267572112 1095712419 /nfs/dbraw/zinc/71/24/19/1095712419.db2.gz WRCYPSOOEDXIQS-OALUTQOASA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@H]2CC[N@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001267572112 1095712438 /nfs/dbraw/zinc/71/24/38/1095712438.db2.gz WRCYPSOOEDXIQS-OALUTQOASA-N 1 3 345.531 2.515 10 30 EFEEHO C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001481850323 1096795156 /nfs/dbraw/zinc/79/51/56/1096795156.db2.gz KUYLBPSMPPLFDJ-YJBOKZPZSA-N 1 3 327.488 2.650 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CCCC(C)C)CC2)CC1 ZINC001482025670 1097106648 /nfs/dbraw/zinc/10/66/48/1097106648.db2.gz LFCYRUXSKQDJFJ-MXVIHJGJSA-N 1 3 347.547 2.785 10 30 EFEEHO C[C@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)CCCC[NH+](C)C ZINC001268670563 1097520921 /nfs/dbraw/zinc/52/09/21/1097520921.db2.gz FCCUZWMWJRKWKP-MRXNPFEDSA-N 1 3 349.906 2.518 10 30 EFEEHO C=CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001269616873 1098294905 /nfs/dbraw/zinc/29/49/05/1098294905.db2.gz UDZLGGWJDFRFQL-LJQANCHMSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001269616873 1098294911 /nfs/dbraw/zinc/29/49/11/1098294911.db2.gz UDZLGGWJDFRFQL-LJQANCHMSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001269700437 1098377819 /nfs/dbraw/zinc/37/78/19/1098377819.db2.gz XSBYXSZASGREKF-NRFANRHFSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001269700437 1098377822 /nfs/dbraw/zinc/37/78/22/1098377822.db2.gz XSBYXSZASGREKF-NRFANRHFSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001269732320 1098402003 /nfs/dbraw/zinc/40/20/03/1098402003.db2.gz QZFHHVSJWASFLR-QUCCMNQESA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001269732320 1098402005 /nfs/dbraw/zinc/40/20/05/1098402005.db2.gz QZFHHVSJWASFLR-QUCCMNQESA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC2CC[NH+](CCCC=C)CC2)CC1 ZINC001270158051 1098750608 /nfs/dbraw/zinc/75/06/08/1098750608.db2.gz OPHFSMRNCVJZDU-UHFFFAOYSA-N 1 3 345.531 2.516 10 30 EFEEHO C=C(C)CC[NH2+]Cc1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001267938816 1098759521 /nfs/dbraw/zinc/75/95/21/1098759521.db2.gz LMKALFWVKUBBRY-QGZVFWFLSA-N 1 3 329.488 2.700 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001267947560 1098796673 /nfs/dbraw/zinc/79/66/73/1098796673.db2.gz WNIOZMJCOGWSMB-ZWKOTPCHSA-N 1 3 335.536 2.901 10 30 EFEEHO CC#CCN1CCC(C)(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001270242543 1098850177 /nfs/dbraw/zinc/85/01/77/1098850177.db2.gz DBHQVKBBUGEDID-UHFFFAOYSA-N 1 3 333.520 2.635 10 30 EFEEHO CC#CCN1CCC(C)(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001270242543 1098850199 /nfs/dbraw/zinc/85/01/99/1098850199.db2.gz DBHQVKBBUGEDID-UHFFFAOYSA-N 1 3 333.520 2.635 10 30 EFEEHO C#CCN(C(=O)c1cccc(CN(C)C)c1)C1CC[NH+](C(C)C)CC1 ZINC001270364906 1099011043 /nfs/dbraw/zinc/01/10/43/1099011043.db2.gz WOZFJBQZRAUKEN-UHFFFAOYSA-N 1 3 341.499 2.696 10 30 EFEEHO C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC001481365901 1099484578 /nfs/dbraw/zinc/48/45/78/1099484578.db2.gz BVUXFMGYBAQXFE-MOPGFXCFSA-N 1 3 329.488 2.882 10 30 EFEEHO C=C(C)CC[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001481370463 1099501141 /nfs/dbraw/zinc/50/11/41/1099501141.db2.gz FRBYSQWPEQSJRX-IEBWSBKVSA-N 1 3 329.488 2.742 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001481370891 1099503650 /nfs/dbraw/zinc/50/36/50/1099503650.db2.gz NTJXEEABGKPWPM-OALUTQOASA-N 1 3 329.488 2.882 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001481370891 1099503658 /nfs/dbraw/zinc/50/36/58/1099503658.db2.gz NTJXEEABGKPWPM-OALUTQOASA-N 1 3 329.488 2.882 10 30 EFEEHO CC[C@@H](C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1)[NH+](CC)CC ZINC001482330860 1099632342 /nfs/dbraw/zinc/63/23/42/1099632342.db2.gz NCUADQGQCHZGBU-QUCCMNQESA-N 1 3 343.515 2.595 10 30 EFEEHO C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001271438811 1101686652 /nfs/dbraw/zinc/68/66/52/1101686652.db2.gz PHDAIHXZEPRGPI-LJQANCHMSA-N 1 3 335.536 2.853 10 30 EFEEHO CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001266889121 1102601023 /nfs/dbraw/zinc/60/10/23/1102601023.db2.gz IBCYBMLAOUEKDR-RBUKOAKNSA-N 1 3 333.520 2.587 10 30 EFEEHO CC#CCN1CCC[C@H]([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001266890177 1102603397 /nfs/dbraw/zinc/60/33/97/1102603397.db2.gz JBIJMNAJZQANLM-MOPGFXCFSA-N 1 3 347.547 2.881 10 30 EFEEHO CC#CCN1CCC[C@H]([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001266890177 1102603401 /nfs/dbraw/zinc/60/34/01/1102603401.db2.gz JBIJMNAJZQANLM-MOPGFXCFSA-N 1 3 347.547 2.881 10 30 EFEEHO CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001266891074 1102606985 /nfs/dbraw/zinc/60/69/85/1102606985.db2.gz NVTWXAUSMDLNLY-OALUTQOASA-N 1 3 347.547 2.833 10 30 EFEEHO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001266891074 1102606991 /nfs/dbraw/zinc/60/69/91/1102606991.db2.gz NVTWXAUSMDLNLY-OALUTQOASA-N 1 3 347.547 2.833 10 30 EFEEHO C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001661235392 1103195320 /nfs/dbraw/zinc/19/53/20/1103195320.db2.gz JBPNKZRCHCSYLO-RBUKOAKNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001661235392 1103195324 /nfs/dbraw/zinc/19/53/24/1103195324.db2.gz JBPNKZRCHCSYLO-RBUKOAKNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001661235393 1103195344 /nfs/dbraw/zinc/19/53/44/1103195344.db2.gz JBPNKZRCHCSYLO-RTBURBONSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001661235393 1103195346 /nfs/dbraw/zinc/19/53/46/1103195346.db2.gz JBPNKZRCHCSYLO-RTBURBONSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001662578160 1103719150 /nfs/dbraw/zinc/71/91/50/1103719150.db2.gz WVDRIXVQJFODGN-APWZRJJASA-N 1 3 329.488 2.907 10 30 EFEEHO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001662578161 1103719560 /nfs/dbraw/zinc/71/95/60/1103719560.db2.gz WVDRIXVQJFODGN-LPHOPBHVSA-N 1 3 329.488 2.907 10 30 EFEEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001663013665 1103922974 /nfs/dbraw/zinc/92/29/74/1103922974.db2.gz AJAWODSATXRDDM-MRXNPFEDSA-N 1 3 349.906 2.516 10 30 EFEEHO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001664185714 1104309463 /nfs/dbraw/zinc/30/94/63/1104309463.db2.gz ABQMEZVCKCTICZ-CRAIPNDOSA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001665567196 1104715024 /nfs/dbraw/zinc/71/50/24/1104715024.db2.gz OLNKORPSSMWIFX-IEBWSBKVSA-N 1 3 333.520 2.940 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001665567196 1104715033 /nfs/dbraw/zinc/71/50/33/1104715033.db2.gz OLNKORPSSMWIFX-IEBWSBKVSA-N 1 3 333.520 2.940 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001665687084 1104751253 /nfs/dbraw/zinc/75/12/53/1104751253.db2.gz WQVOQUMYWCSGMT-LJQANCHMSA-N 1 3 329.488 2.861 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001665687084 1104751255 /nfs/dbraw/zinc/75/12/55/1104751255.db2.gz WQVOQUMYWCSGMT-LJQANCHMSA-N 1 3 329.488 2.861 10 30 EFEEHO CC[C@H](CNC(=O)CCC[NH+](C)C)NCC#Cc1ccccc1Cl ZINC001665832909 1104790865 /nfs/dbraw/zinc/79/08/65/1104790865.db2.gz AAXUAZVVKRMWJY-QGZVFWFLSA-N 1 3 349.906 2.518 10 30 EFEEHO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001272085551 1104807476 /nfs/dbraw/zinc/80/74/76/1104807476.db2.gz QEGNLVSEEXCPCJ-GBESFXJTSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001272085551 1104807485 /nfs/dbraw/zinc/80/74/85/1104807485.db2.gz QEGNLVSEEXCPCJ-GBESFXJTSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CC[NH2+]C[C@]1(NC(=O)c2cccc(CN(C)C)c2)CCCC[C@H]1C ZINC001666067015 1104846752 /nfs/dbraw/zinc/84/67/52/1104846752.db2.gz BFMJCZQYAQFEMW-DYESRHJHSA-N 1 3 341.499 2.650 10 30 EFEEHO C=C(C)CC[NH2+]C[C@@H](NC(=O)Cc1nc[nH]c1C)C1CCCCC1 ZINC001667151579 1105063558 /nfs/dbraw/zinc/06/35/58/1105063558.db2.gz OZVFWMSBDHTDMI-GOSISDBHSA-N 1 3 332.492 2.882 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001667693547 1105180524 /nfs/dbraw/zinc/18/05/24/1105180524.db2.gz IKJSFXNTPZSTAA-FUHWJXTLSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001667693547 1105180528 /nfs/dbraw/zinc/18/05/28/1105180528.db2.gz IKJSFXNTPZSTAA-FUHWJXTLSA-N 1 3 330.476 2.621 10 30 EFEEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1Cl)N(C)C ZINC001668107697 1105236960 /nfs/dbraw/zinc/23/69/60/1105236960.db2.gz WAKXCQBBMIOYKT-MAUKXSAKSA-N 1 3 349.906 2.516 10 30 EFEEHO C[C@@H](CNCC#Cc1ccccc1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001669690608 1105508541 /nfs/dbraw/zinc/50/85/41/1105508541.db2.gz SEARABPODLGSOB-SFHVURJKSA-N 1 3 349.478 2.508 10 30 EFEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001671508033 1105647889 /nfs/dbraw/zinc/64/78/89/1105647889.db2.gz MOSYPEDDHMTIQX-LJQANCHMSA-N 1 3 349.563 2.935 10 30 EFEEHO CC#CCNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001671512415 1105648883 /nfs/dbraw/zinc/64/88/83/1105648883.db2.gz HMLYSJVJLQJHJX-NHCUHLMSSA-N 1 3 349.478 2.562 10 30 EFEEHO CC#CCNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001671512415 1105648886 /nfs/dbraw/zinc/64/88/86/1105648886.db2.gz HMLYSJVJLQJHJX-NHCUHLMSSA-N 1 3 349.478 2.562 10 30 EFEEHO CC#CCNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001671512417 1105648914 /nfs/dbraw/zinc/64/89/14/1105648914.db2.gz HMLYSJVJLQJHJX-SFTDATJTSA-N 1 3 349.478 2.562 10 30 EFEEHO CC#CCNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001671512417 1105648917 /nfs/dbraw/zinc/64/89/17/1105648917.db2.gz HMLYSJVJLQJHJX-SFTDATJTSA-N 1 3 349.478 2.562 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1CC ZINC001672183610 1105768059 /nfs/dbraw/zinc/76/80/59/1105768059.db2.gz PMGGZKONVOIKNM-LJQANCHMSA-N 1 3 341.499 2.668 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001672933599 1105941877 /nfs/dbraw/zinc/94/18/77/1105941877.db2.gz FXLNOIUWGHGWMG-CALCHBBNSA-N 1 3 329.488 2.793 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001672933599 1105941881 /nfs/dbraw/zinc/94/18/81/1105941881.db2.gz FXLNOIUWGHGWMG-CALCHBBNSA-N 1 3 329.488 2.793 10 30 EFEEHO C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001672943936 1105946597 /nfs/dbraw/zinc/94/65/97/1105946597.db2.gz UMDZYEROORSCRQ-DLBZAZTESA-N 1 3 329.488 2.871 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]C[C@@H](C)CC)CC2)CC1 ZINC001672995029 1105956124 /nfs/dbraw/zinc/95/61/24/1105956124.db2.gz QUJYYPUXUJNAAG-BJLQDIEVSA-N 1 3 347.547 2.642 10 30 EFEEHO C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001674272599 1106164231 /nfs/dbraw/zinc/16/42/31/1106164231.db2.gz ZSUKDHYUWMZECO-UYAOXDASSA-N 1 3 341.499 2.620 10 30 EFEEHO C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001674272599 1106164233 /nfs/dbraw/zinc/16/42/33/1106164233.db2.gz ZSUKDHYUWMZECO-UYAOXDASSA-N 1 3 341.499 2.620 10 30 EFEEHO C=CCCC[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001674294435 1106167053 /nfs/dbraw/zinc/16/70/53/1106167053.db2.gz MLSDXIYMANFRLA-UHFFFAOYSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001675692411 1106411489 /nfs/dbraw/zinc/41/14/89/1106411489.db2.gz FJATWAZYNUKFIW-BGYRXZFFSA-N 1 3 335.536 2.711 10 30 EFEEHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001675692411 1106411492 /nfs/dbraw/zinc/41/14/92/1106411492.db2.gz FJATWAZYNUKFIW-BGYRXZFFSA-N 1 3 335.536 2.711 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000899981837 1109568994 /nfs/dbraw/zinc/56/89/94/1109568994.db2.gz VJEGEWBDPBNHMB-UHFFFAOYSA-N 1 3 344.503 2.583 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CCN(CC(=C)C)CC1 ZINC001483986734 1112632043 /nfs/dbraw/zinc/63/20/43/1112632043.db2.gz QKHABMAZASWCIE-LJQANCHMSA-N 1 3 345.531 2.611 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CCN(CC(=C)C)CC1 ZINC001483986734 1112632044 /nfs/dbraw/zinc/63/20/44/1112632044.db2.gz QKHABMAZASWCIE-LJQANCHMSA-N 1 3 345.531 2.611 10 30 EFEEHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001483987608 1112632472 /nfs/dbraw/zinc/63/24/72/1112632472.db2.gz XEFPPEVZZPMIHX-QUCCMNQESA-N 1 3 349.563 2.935 10 30 EFEEHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001483987607 1112632736 /nfs/dbraw/zinc/63/27/36/1112632736.db2.gz XEFPPEVZZPMIHX-ICSRJNTNSA-N 1 3 349.563 2.935 10 30 EFEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CCCC1 ZINC001484008154 1112656861 /nfs/dbraw/zinc/65/68/61/1112656861.db2.gz NZVBFZUIHWZGKH-IEBWSBKVSA-N 1 3 333.520 2.539 10 30 EFEEHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001484022939 1112676298 /nfs/dbraw/zinc/67/62/98/1112676298.db2.gz RRRINYZHNXPKKU-FPOVZHCZSA-N 1 3 347.547 2.835 10 30 EFEEHO C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001484575683 1113040480 /nfs/dbraw/zinc/04/04/80/1113040480.db2.gz XRRFTNZUGHVYNH-XIRDDKMYSA-N 1 3 332.492 2.880 10 30 EFEEHO C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001484575682 1113040650 /nfs/dbraw/zinc/04/06/50/1113040650.db2.gz XRRFTNZUGHVYNH-DJIMGWMZSA-N 1 3 332.492 2.880 10 30 EFEEHO C#CC[NH+]1CCC2(CCN(C(=O)CN(C)CCCCCC)CC2)CC1 ZINC001485011104 1117942808 /nfs/dbraw/zinc/94/28/08/1117942808.db2.gz FGAFDMUZIXNXRF-UHFFFAOYSA-N 1 3 347.547 2.836 10 30 EFEEHO C=C(Cl)CN(CC)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001485033323 1117966089 /nfs/dbraw/zinc/96/60/89/1117966089.db2.gz DFRMJLFYRIFBMJ-QGZVFWFLSA-N 1 3 341.927 2.641 10 30 EFEEHO C=C(Cl)CN(CC)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001485033323 1117966094 /nfs/dbraw/zinc/96/60/94/1117966094.db2.gz DFRMJLFYRIFBMJ-QGZVFWFLSA-N 1 3 341.927 2.641 10 30 EFEEHO C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001485653959 1118500971 /nfs/dbraw/zinc/50/09/71/1118500971.db2.gz OXEGSJIMNKUGIY-BZSNNMDCSA-N 1 3 333.520 2.654 10 30 EFEEHO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001485653959 1118500974 /nfs/dbraw/zinc/50/09/74/1118500974.db2.gz OXEGSJIMNKUGIY-BZSNNMDCSA-N 1 3 333.520 2.654 10 30 EFEEHO C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC001485768413 1118581187 /nfs/dbraw/zinc/58/11/87/1118581187.db2.gz NQSWCCJQWMWSIW-RTBURBONSA-N 1 3 341.499 2.501 10 30 EFEEHO CC#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800796 1118633888 /nfs/dbraw/zinc/63/38/88/1118633888.db2.gz HMHCBBZEUHNXFH-MOPGFXCFSA-N 1 3 345.531 2.633 10 30 EFEEHO CC#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800796 1118633890 /nfs/dbraw/zinc/63/38/90/1118633890.db2.gz HMHCBBZEUHNXFH-MOPGFXCFSA-N 1 3 345.531 2.633 10 30 EFEEHO CN1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@@H]1c1cccnc1 ZINC000263122892 240380529 /nfs/dbraw/zinc/38/05/29/240380529.db2.gz MEWJOOQYZKQZTI-ICSRJNTNSA-N 1 3 349.482 2.990 10 30 EFEEHO C[NH+](C)CCOC1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597016222 479537227 /nfs/dbraw/zinc/53/72/27/479537227.db2.gz MFQDBAOBHDOKEH-UHFFFAOYSA-N 1 3 327.472 2.784 10 30 EFEEHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cnc2ccc(C#N)cn12 ZINC000123313201 473126215 /nfs/dbraw/zinc/12/62/15/473126215.db2.gz IWHYHAZNWBBROF-INIZCTEOSA-N 1 3 325.460 2.950 10 30 EFEEHO C[C@H]1CCCC[N@H+]1CCCCNCc1cnc2ccc(C#N)cn12 ZINC000123313201 473126221 /nfs/dbraw/zinc/12/62/21/473126221.db2.gz IWHYHAZNWBBROF-INIZCTEOSA-N 1 3 325.460 2.950 10 30 EFEEHO N#CCCOCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000339008897 474829246 /nfs/dbraw/zinc/82/92/46/474829246.db2.gz BLANYRMTXHOLFY-HXUWFJFHSA-N 1 3 327.472 2.905 10 30 EFEEHO N#CCCOCC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000339008897 474829253 /nfs/dbraw/zinc/82/92/53/474829253.db2.gz BLANYRMTXHOLFY-HXUWFJFHSA-N 1 3 327.472 2.905 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000341096415 474970037 /nfs/dbraw/zinc/97/00/37/474970037.db2.gz JOWRCZDFYBACIU-CALCHBBNSA-N 1 3 336.524 2.589 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000341096415 474970042 /nfs/dbraw/zinc/97/00/42/474970042.db2.gz JOWRCZDFYBACIU-CALCHBBNSA-N 1 3 336.524 2.589 10 30 EFEEHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349690462 475987053 /nfs/dbraw/zinc/98/70/53/475987053.db2.gz GEEOMVMCXUAIFE-GPMSIDNRSA-N 1 3 338.455 2.620 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000417545092 477455818 /nfs/dbraw/zinc/45/58/18/477455818.db2.gz XDFMRIDVTGUJPZ-OAHLLOKOSA-N 1 3 330.476 2.546 10 30 EFEEHO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000516861385 477997853 /nfs/dbraw/zinc/99/78/53/477997853.db2.gz ASNDGUCLNLPBIS-IWCVFHTOSA-N 1 3 328.460 2.750 10 30 EFEEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594435896 478384635 /nfs/dbraw/zinc/38/46/35/478384635.db2.gz GESNWXYAOVVPJB-IEBWSBKVSA-N 1 3 342.487 2.521 10 30 EFEEHO N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000594440706 478388666 /nfs/dbraw/zinc/38/86/66/478388666.db2.gz HVBQQLBOWRLLPZ-OALUTQOASA-N 1 3 342.487 2.569 10 30 EFEEHO N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000594440709 478389319 /nfs/dbraw/zinc/38/93/19/478389319.db2.gz HVBQQLBOWRLLPZ-RTBURBONSA-N 1 3 342.487 2.569 10 30 EFEEHO N#CCCCC[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000594440465 478389795 /nfs/dbraw/zinc/38/97/95/478389795.db2.gz CSTIRIBVLQNQLU-SFHVURJKSA-N 1 3 328.460 2.675 10 30 EFEEHO CCN1CCN(CCCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594494929 478410262 /nfs/dbraw/zinc/41/02/62/478410262.db2.gz LQGKWBVKMMECIK-UHFFFAOYSA-N 1 3 342.531 2.995 10 30 EFEEHO N#CC1(C[C@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000600725371 478488676 /nfs/dbraw/zinc/48/86/76/478488676.db2.gz JHFLHYYYGMKWHB-NXEWRWPSSA-N 1 3 339.483 2.826 10 30 EFEEHO N#CC1(C[C@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000600725371 478488682 /nfs/dbraw/zinc/48/86/82/478488682.db2.gz JHFLHYYYGMKWHB-NXEWRWPSSA-N 1 3 339.483 2.826 10 30 EFEEHO CC(C)[NH+]1CCC(O)(CNCc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594932743 478592913 /nfs/dbraw/zinc/59/29/13/478592913.db2.gz SSGFMJOXNVDMCJ-UHFFFAOYSA-N 1 3 327.472 2.567 10 30 EFEEHO CC1(C#N)CCC([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CC1 ZINC000594976312 478616262 /nfs/dbraw/zinc/61/62/62/478616262.db2.gz ZSNOORSPBFBWFD-IOJLRTSASA-N 1 3 327.472 2.815 10 30 EFEEHO C=CCCc1ccccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000554576416 479158563 /nfs/dbraw/zinc/15/85/63/479158563.db2.gz IBXCRZJFYLXJTD-UHFFFAOYSA-N 1 3 332.492 2.762 10 30 EFEEHO Cc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1C#N ZINC000599304485 479246945 /nfs/dbraw/zinc/24/69/45/479246945.db2.gz MDJAVRIROYATIY-UHFFFAOYSA-N 1 3 327.472 2.944 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)N2CCC(CC)([NH+](C)C)CC2)CC1 ZINC000632986755 480835221 /nfs/dbraw/zinc/83/52/21/480835221.db2.gz JLIIXBROADWCEF-UHFFFAOYSA-N 1 3 336.524 2.543 10 30 EFEEHO C=CCC[C@@H](CO)[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000641760527 481054779 /nfs/dbraw/zinc/05/47/79/481054779.db2.gz SXPFVHNPAVTTNY-IBGZPJMESA-N 1 3 331.504 2.635 10 30 EFEEHO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000651699131 481909361 /nfs/dbraw/zinc/90/93/61/481909361.db2.gz HYHWJEFHWZYVLS-LPHOPBHVSA-N 1 3 329.488 2.812 10 30 EFEEHO CC[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261943715 535265651 /nfs/dbraw/zinc/26/56/51/535265651.db2.gz FDEUFAUAIMGDCF-IUODEOHRSA-N 1 3 337.537 2.544 10 30 EFEEHO C=CCOCCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000657658058 547244688 /nfs/dbraw/zinc/24/46/88/547244688.db2.gz KVGANFHIZYQKMY-UHFFFAOYSA-N 1 3 331.504 2.899 10 30 EFEEHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691417028 1248757867 /nfs/dbraw/zinc/75/78/67/1248757867.db2.gz SRCKKBNJPUNNMO-MOPGFXCFSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001691935178 1249062615 /nfs/dbraw/zinc/06/26/15/1249062615.db2.gz BQLCQNOVOICEMP-GJZGRUSLSA-N 1 3 349.441 2.519 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC/C=C/CCC)CC1 ZINC001691112616 1248433636 /nfs/dbraw/zinc/43/36/36/1248433636.db2.gz IQTFWKQMMXJRTG-YJJPMGAVSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC/C=C/CCC)CC1 ZINC001691112616 1248433645 /nfs/dbraw/zinc/43/36/45/1248433645.db2.gz IQTFWKQMMXJRTG-YJJPMGAVSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCCN1CC ZINC001484401868 1252542934 /nfs/dbraw/zinc/54/29/34/1252542934.db2.gz VTBLGXDOJQWWAU-HXUWFJFHSA-N 1 3 341.499 2.503 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC=C(C)C)CC2)CC1 ZINC001484574184 1252759275 /nfs/dbraw/zinc/75/92/75/1252759275.db2.gz AEPIEKNRRFIWED-KESTWPANSA-N 1 3 345.531 2.562 10 30 EFEEHO C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001273018579 1265827708 /nfs/dbraw/zinc/82/77/08/1265827708.db2.gz MRQFKJUYXKRZEC-YJBOKZPZSA-N 1 3 327.488 2.650 10 30 EFEEHO C=CCN1CCc2c(CNC(=O)[C@@H](CC)[NH+](CC)CC)cccc2C1 ZINC001272917325 1261330622 /nfs/dbraw/zinc/33/06/22/1261330622.db2.gz SRLYMPKTBQZTDU-HXUWFJFHSA-N 1 3 343.515 2.967 10 30 EFEEHO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001485921976 1262501701 /nfs/dbraw/zinc/50/17/01/1262501701.db2.gz FYKWQYMMKPCKKG-YJBOKZPZSA-N 1 3 327.488 2.602 10 30 EFEEHO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001485921975 1262501800 /nfs/dbraw/zinc/50/18/00/1262501800.db2.gz FYKWQYMMKPCKKG-QAPCUYQASA-N 1 3 327.488 2.602 10 30 EFEEHO CC#CC[NH2+]C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C(C)(C)C ZINC001486425108 1263078946 /nfs/dbraw/zinc/07/89/46/1263078946.db2.gz SVPAVERXRTVYDH-GOSISDBHSA-N 1 3 329.488 2.506 10 30 EFEEHO C=C(C)CC[N@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001486507008 1263260937 /nfs/dbraw/zinc/26/09/37/1263260937.db2.gz QSLJURVJXNHBNP-UHFFFAOYSA-N 1 3 333.520 2.965 10 30 EFEEHO C=C(C)CC[N@@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001486507008 1263260943 /nfs/dbraw/zinc/26/09/43/1263260943.db2.gz QSLJURVJXNHBNP-UHFFFAOYSA-N 1 3 333.520 2.965 10 30 EFEEHO C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001691669912 1266509225 /nfs/dbraw/zinc/50/92/25/1266509225.db2.gz DFYBONRDSQYZEC-OALUTQOASA-N 1 3 329.488 2.788 10 30 EFEEHO C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001691669912 1266509234 /nfs/dbraw/zinc/50/92/34/1266509234.db2.gz DFYBONRDSQYZEC-OALUTQOASA-N 1 3 329.488 2.788 10 30 EFEEHO C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001691669914 1266509974 /nfs/dbraw/zinc/50/99/74/1266509974.db2.gz DFYBONRDSQYZEC-RTBURBONSA-N 1 3 329.488 2.788 10 30 EFEEHO C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001691669914 1266509980 /nfs/dbraw/zinc/50/99/80/1266509980.db2.gz DFYBONRDSQYZEC-RTBURBONSA-N 1 3 329.488 2.788 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000876732286 1290993460 /nfs/dbraw/zinc/99/34/60/1290993460.db2.gz SDSVXGYGJHFKGT-INIZCTEOSA-N 1 3 327.900 2.571 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000876732286 1290993465 /nfs/dbraw/zinc/99/34/65/1290993465.db2.gz SDSVXGYGJHFKGT-INIZCTEOSA-N 1 3 327.900 2.571 10 30 EFEEHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000876736970 1290995887 /nfs/dbraw/zinc/99/58/87/1290995887.db2.gz YNKGRGYYXZIECI-SJORKVTESA-N 1 3 335.879 2.627 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000876738544 1290996544 /nfs/dbraw/zinc/99/65/44/1290996544.db2.gz GNAAEZUBDIAGBS-HNNXBMFYSA-N 1 3 341.908 2.546 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000876738553 1290996690 /nfs/dbraw/zinc/99/66/90/1290996690.db2.gz GSAABRDMORVAKF-DZGCQCFKSA-N 1 3 341.908 2.546 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876738553 1290996695 /nfs/dbraw/zinc/99/66/95/1290996695.db2.gz GSAABRDMORVAKF-DZGCQCFKSA-N 1 3 341.908 2.546 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)N(CC[NH+](CC)CC)Cc1ccccc1 ZINC000876740154 1290998061 /nfs/dbraw/zinc/99/80/61/1290998061.db2.gz IAJLMMBUNIJLKC-QGZVFWFLSA-N 1 3 337.895 2.827 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000876742578 1290999665 /nfs/dbraw/zinc/99/96/65/1290999665.db2.gz UXLIVPCSIKRTKU-SJORKVTESA-N 1 3 335.879 2.718 10 30 EFEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000876742578 1290999674 /nfs/dbraw/zinc/99/96/74/1290999674.db2.gz UXLIVPCSIKRTKU-SJORKVTESA-N 1 3 335.879 2.718 10 30 EFEEHO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000876885739 1291057770 /nfs/dbraw/zinc/05/77/70/1291057770.db2.gz ZJIODPRUSKGSRU-WBVHZDCISA-N 1 3 335.879 2.579 10 30 EFEEHO C#CCC1([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)CCCCC1 ZINC001198084258 1294868853 /nfs/dbraw/zinc/86/88/53/1294868853.db2.gz GBQSCDHVZXQYDK-LJQANCHMSA-N 1 3 341.499 2.721 10 30 EFEEHO C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001488956144 1297904931 /nfs/dbraw/zinc/90/49/31/1297904931.db2.gz ZHMBPTWWXUXUBU-LSDHHAIUSA-N 1 3 329.916 2.591 10 30 EFEEHO C=CCN1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000868284117 1304225083 /nfs/dbraw/zinc/22/50/83/1304225083.db2.gz PQFIFICZCXPWDT-IBGZPJMESA-N 1 3 348.535 2.733 10 30 EFEEHO C=CCN1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000868284117 1304225089 /nfs/dbraw/zinc/22/50/89/1304225089.db2.gz PQFIFICZCXPWDT-IBGZPJMESA-N 1 3 348.535 2.733 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000900436011 1308161048 /nfs/dbraw/zinc/16/10/48/1308161048.db2.gz GRFSILMKDKEGNH-UHFFFAOYSA-N 1 3 347.528 2.724 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000900808658 1308711739 /nfs/dbraw/zinc/71/17/39/1308711739.db2.gz QFCWKIXSDKCNLL-GOSISDBHSA-N 1 3 329.488 2.617 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000900808659 1308711789 /nfs/dbraw/zinc/71/17/89/1308711789.db2.gz QFCWKIXSDKCNLL-SFHVURJKSA-N 1 3 329.488 2.617 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000901282317 1310044500 /nfs/dbraw/zinc/04/45/00/1310044500.db2.gz UYUKAFQBJKUIAD-UHFFFAOYSA-N 1 3 344.503 2.663 10 30 EFEEHO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCCCCC)C[C@@H]2C1 ZINC001276839000 1311185205 /nfs/dbraw/zinc/18/52/05/1311185205.db2.gz FHQROGDVKCBMPI-XUVXKRRUSA-N 1 3 347.547 2.739 10 30 EFEEHO CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCCCCC)C[C@@H]2C1 ZINC001276839000 1311185206 /nfs/dbraw/zinc/18/52/06/1311185206.db2.gz FHQROGDVKCBMPI-XUVXKRRUSA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001276862728 1311216956 /nfs/dbraw/zinc/21/69/56/1311216956.db2.gz PHCMZGDEYIMCOZ-KRWDZBQOSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001276862728 1311216959 /nfs/dbraw/zinc/21/69/59/1311216959.db2.gz PHCMZGDEYIMCOZ-KRWDZBQOSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCCCCC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001276879347 1311240982 /nfs/dbraw/zinc/24/09/82/1311240982.db2.gz ZQVBESGXBLLRQM-IBGZPJMESA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001276879347 1311240985 /nfs/dbraw/zinc/24/09/85/1311240985.db2.gz ZQVBESGXBLLRQM-IBGZPJMESA-N 1 3 347.547 2.999 10 30 EFEEHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001277368930 1312067073 /nfs/dbraw/zinc/06/70/73/1312067073.db2.gz OZEMYRKHJGDCSC-MOPGFXCFSA-N 1 3 333.520 2.894 10 30 EFEEHO C=C(C)CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001277388744 1312099143 /nfs/dbraw/zinc/09/91/43/1312099143.db2.gz RJONONGYVMIGPE-LJQANCHMSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001277388744 1312099146 /nfs/dbraw/zinc/09/91/46/1312099146.db2.gz RJONONGYVMIGPE-LJQANCHMSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001277473879 1312400382 /nfs/dbraw/zinc/40/03/82/1312400382.db2.gz LNMGAZIUPAKTHW-AZUAARDMSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001277473879 1312400386 /nfs/dbraw/zinc/40/03/86/1312400386.db2.gz LNMGAZIUPAKTHW-AZUAARDMSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001277515996 1312505697 /nfs/dbraw/zinc/50/56/97/1312505697.db2.gz DWLMGWCKGJTFST-YLJYHZDGSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001277515996 1312505700 /nfs/dbraw/zinc/50/57/00/1312505700.db2.gz DWLMGWCKGJTFST-YLJYHZDGSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001318206763 1328527985 /nfs/dbraw/zinc/52/79/85/1328527985.db2.gz WMSRXHONAYKKPX-OALUTQOASA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001318206763 1328527988 /nfs/dbraw/zinc/52/79/88/1328527988.db2.gz WMSRXHONAYKKPX-OALUTQOASA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001278703774 1315581746 /nfs/dbraw/zinc/58/17/46/1315581746.db2.gz MKHJUERRNBAVML-LSDHHAIUSA-N 1 3 349.441 2.519 10 30 EFEEHO C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001264010300 1316579924 /nfs/dbraw/zinc/57/99/24/1316579924.db2.gz UBRARPPSYSLWIK-APWZRJJASA-N 1 3 329.488 2.765 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001264585835 1316635435 /nfs/dbraw/zinc/63/54/35/1316635435.db2.gz HITHICBIHPOKAI-LZQZEXGQSA-N 1 3 344.503 2.832 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001264585835 1316635438 /nfs/dbraw/zinc/63/54/38/1316635438.db2.gz HITHICBIHPOKAI-LZQZEXGQSA-N 1 3 344.503 2.832 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001264753778 1316668727 /nfs/dbraw/zinc/66/87/27/1316668727.db2.gz OBCVCAMUCSBMOO-QZTJIDSGSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001264753778 1316668729 /nfs/dbraw/zinc/66/87/29/1316668729.db2.gz OBCVCAMUCSBMOO-QZTJIDSGSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001265407295 1316800813 /nfs/dbraw/zinc/80/08/13/1316800813.db2.gz WXDXNIXJTXHKGK-YRXWBPOGSA-N 1 3 333.520 2.891 10 30 EFEEHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001265407295 1316800816 /nfs/dbraw/zinc/80/08/16/1316800816.db2.gz WXDXNIXJTXHKGK-YRXWBPOGSA-N 1 3 333.520 2.891 10 30 EFEEHO CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001265697470 1316858508 /nfs/dbraw/zinc/85/85/08/1316858508.db2.gz SPSQFRRWODWQGJ-MOPGFXCFSA-N 1 3 333.520 2.587 10 30 EFEEHO CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001265697470 1316858510 /nfs/dbraw/zinc/85/85/10/1316858510.db2.gz SPSQFRRWODWQGJ-MOPGFXCFSA-N 1 3 333.520 2.587 10 30 EFEEHO CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001265697472 1316858527 /nfs/dbraw/zinc/85/85/27/1316858527.db2.gz SPSQFRRWODWQGJ-RBUKOAKNSA-N 1 3 333.520 2.587 10 30 EFEEHO CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001265697472 1316858530 /nfs/dbraw/zinc/85/85/30/1316858530.db2.gz SPSQFRRWODWQGJ-RBUKOAKNSA-N 1 3 333.520 2.587 10 30 EFEEHO CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001265702855 1316861001 /nfs/dbraw/zinc/86/10/01/1316861001.db2.gz ISYYZBRZFHKMFF-MSOLQXFVSA-N 1 3 347.547 2.879 10 30 EFEEHO CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001265702855 1316861003 /nfs/dbraw/zinc/86/10/03/1316861003.db2.gz ISYYZBRZFHKMFF-MSOLQXFVSA-N 1 3 347.547 2.879 10 30 EFEEHO C=CCC[NH2+]C[C@@](C)(NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001318715739 1328675863 /nfs/dbraw/zinc/67/58/63/1328675863.db2.gz WTIJYJFEGBXINC-MOPGFXCFSA-N 1 3 339.499 2.650 10 30 EFEEHO C=CCNCc1ccc(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)c(F)c1 ZINC001279716001 1317369126 /nfs/dbraw/zinc/36/91/26/1317369126.db2.gz LWCRGIVXCJKXGQ-SFHVURJKSA-N 1 3 347.478 2.840 10 30 EFEEHO C=CCNCc1ccc(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)c(F)c1 ZINC001279716001 1317369132 /nfs/dbraw/zinc/36/91/32/1317369132.db2.gz LWCRGIVXCJKXGQ-SFHVURJKSA-N 1 3 347.478 2.840 10 30 EFEEHO C=CCCC[NH+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001280394643 1317541316 /nfs/dbraw/zinc/54/13/16/1317541316.db2.gz UCRHWSYFVWGTCJ-HDICACEKSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001280890696 1317882941 /nfs/dbraw/zinc/88/29/41/1317882941.db2.gz XKKJDLSCSIDTGK-RTBURBONSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001280890696 1317882947 /nfs/dbraw/zinc/88/29/47/1317882947.db2.gz XKKJDLSCSIDTGK-RTBURBONSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCC[NH2+]C1(CC)CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001281049749 1317996720 /nfs/dbraw/zinc/99/67/20/1317996720.db2.gz INXSVFNJFMKDOY-UHFFFAOYSA-N 1 3 341.499 2.746 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001281099968 1318012468 /nfs/dbraw/zinc/01/24/68/1318012468.db2.gz JNJMWXZAGMFWNM-AZUAARDMSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001281099968 1318012476 /nfs/dbraw/zinc/01/24/76/1318012476.db2.gz JNJMWXZAGMFWNM-AZUAARDMSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001281099971 1318013391 /nfs/dbraw/zinc/01/33/91/1318013391.db2.gz JNJMWXZAGMFWNM-UYAOXDASSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001281099971 1318013399 /nfs/dbraw/zinc/01/33/99/1318013399.db2.gz JNJMWXZAGMFWNM-UYAOXDASSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001281844710 1318601751 /nfs/dbraw/zinc/60/17/51/1318601751.db2.gz AWQLTCUIOJIUKM-LJQANCHMSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001281844710 1318601763 /nfs/dbraw/zinc/60/17/63/1318601763.db2.gz AWQLTCUIOJIUKM-LJQANCHMSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](F)CN(CC)CC ZINC001281905373 1318619468 /nfs/dbraw/zinc/61/94/68/1318619468.db2.gz IZUXCNHGLJPCJZ-GUDVDZBRSA-N 1 3 347.478 2.614 10 30 EFEEHO C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCN1CCC ZINC001281904973 1318619927 /nfs/dbraw/zinc/61/99/27/1318619927.db2.gz CMVDBUROQLMVOO-VAMGGRTRSA-N 1 3 341.499 2.809 10 30 EFEEHO CC#CC[NH2+]CC1(NC(=O)[C@@H](C)N2CCCCCC2)CCCCC1 ZINC001282623503 1319034876 /nfs/dbraw/zinc/03/48/76/1319034876.db2.gz CBXUCCRPMSMLNJ-GOSISDBHSA-N 1 3 333.520 2.683 10 30 EFEEHO C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001282744685 1319106750 /nfs/dbraw/zinc/10/67/50/1319106750.db2.gz PYMHENGOEFWBKZ-DNVCBOLYSA-N 1 3 339.499 2.602 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001282972379 1319229728 /nfs/dbraw/zinc/22/97/28/1319229728.db2.gz IAMVMNLRCLPOLV-ZWKOTPCHSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001282972379 1319229733 /nfs/dbraw/zinc/22/97/33/1319229733.db2.gz IAMVMNLRCLPOLV-ZWKOTPCHSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC001282996236 1319247630 /nfs/dbraw/zinc/24/76/30/1319247630.db2.gz LGVJHYQTPKTGNJ-JYAXBFRTSA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC001282996236 1319247638 /nfs/dbraw/zinc/24/76/38/1319247638.db2.gz LGVJHYQTPKTGNJ-JYAXBFRTSA-N 1 3 347.547 2.996 10 30 EFEEHO C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001319773900 1328984668 /nfs/dbraw/zinc/98/46/68/1328984668.db2.gz GEOMCYNBMQQRPU-QFBILLFUSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCCC[N@@H+](C)CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001319882001 1329027669 /nfs/dbraw/zinc/02/76/69/1329027669.db2.gz YQYXFMFPTQZQJE-UHFFFAOYSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@H+](C)CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001319882001 1329027672 /nfs/dbraw/zinc/02/76/72/1329027672.db2.gz YQYXFMFPTQZQJE-UHFFFAOYSA-N 1 3 335.536 2.997 10 30 EFEEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001492128936 1324236662 /nfs/dbraw/zinc/23/66/62/1324236662.db2.gz JBPUHEVWNQIPMW-MRXNPFEDSA-N 1 3 349.906 2.516 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@@H]21 ZINC001316718283 1325044313 /nfs/dbraw/zinc/04/43/13/1325044313.db2.gz BRFARPHPNVQZRZ-BHIYHBOVSA-N 1 3 333.520 2.652 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@@H]21 ZINC001316718283 1325044315 /nfs/dbraw/zinc/04/43/15/1325044315.db2.gz BRFARPHPNVQZRZ-BHIYHBOVSA-N 1 3 333.520 2.652 10 30 EFEEHO C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317106656 1325579034 /nfs/dbraw/zinc/57/90/34/1325579034.db2.gz YSDXQROHSYYCGK-ICSRJNTNSA-N 1 3 345.531 2.587 10 30 EFEEHO C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317106656 1325579045 /nfs/dbraw/zinc/57/90/45/1325579045.db2.gz YSDXQROHSYYCGK-ICSRJNTNSA-N 1 3 345.531 2.587 10 30 EFEEHO CC#CC[N@H+](CCNC(=O)CN(C)C1CCC1)C1CCCCCC1 ZINC001323707920 1329563628 /nfs/dbraw/zinc/56/36/28/1329563628.db2.gz AOLDXXJYDIOKPW-UHFFFAOYSA-N 1 3 333.520 2.635 10 30 EFEEHO CC#CC[N@@H+](CCNC(=O)CN(C)C1CCC1)C1CCCCCC1 ZINC001323707920 1329563629 /nfs/dbraw/zinc/56/36/29/1329563629.db2.gz AOLDXXJYDIOKPW-UHFFFAOYSA-N 1 3 333.520 2.635 10 30 EFEEHO C#CCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001324420219 1329625598 /nfs/dbraw/zinc/62/55/98/1329625598.db2.gz OAHNQBGCVWGRTN-MOPGFXCFSA-N 1 3 345.531 2.609 10 30 EFEEHO C#CCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001324420223 1329625692 /nfs/dbraw/zinc/62/56/92/1329625692.db2.gz OAHNQBGCVWGRTN-RBUKOAKNSA-N 1 3 345.531 2.609 10 30 EFEEHO C#CCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001324420225 1329625765 /nfs/dbraw/zinc/62/57/65/1329625765.db2.gz OAHNQBGCVWGRTN-RTBURBONSA-N 1 3 345.531 2.609 10 30 EFEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@H]1C)C1CC[NH+](CCCC=C)CC1 ZINC001324440676 1329627837 /nfs/dbraw/zinc/62/78/37/1329627837.db2.gz FBHHOEOIOUWMDE-RTBURBONSA-N 1 3 345.531 2.752 10 30 EFEEHO C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001324557607 1329639911 /nfs/dbraw/zinc/63/99/11/1329639911.db2.gz STBALPZSORHLCL-OAQYLSRUSA-N 1 3 347.547 2.692 10 30 EFEEHO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001324557607 1329639912 /nfs/dbraw/zinc/63/99/12/1329639912.db2.gz STBALPZSORHLCL-OAQYLSRUSA-N 1 3 347.547 2.692 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC/C=C\CCC)C2)CC1 ZINC001324673824 1329650650 /nfs/dbraw/zinc/65/06/50/1329650650.db2.gz OJCQKGSWKZTBIF-NJRZHNRPSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC/C=C\CCC)C2)CC1 ZINC001324673824 1329650651 /nfs/dbraw/zinc/65/06/51/1329650651.db2.gz OJCQKGSWKZTBIF-NJRZHNRPSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC001325708590 1329707989 /nfs/dbraw/zinc/70/79/89/1329707989.db2.gz RDFNOXXPYKUYDN-RTBURBONSA-N 1 3 341.499 2.501 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001326378695 1329751448 /nfs/dbraw/zinc/75/14/48/1329751448.db2.gz AAYUXTRDKLWMAJ-IAGOWNOFSA-N 1 3 341.927 2.832 10 30 EFEEHO C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001327307454 1330457186 /nfs/dbraw/zinc/45/71/86/1330457186.db2.gz CZEGYZNBAWEKPW-RTBURBONSA-N 1 3 347.547 2.691 10 30 EFEEHO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001327307454 1330457191 /nfs/dbraw/zinc/45/71/91/1330457191.db2.gz CZEGYZNBAWEKPW-RTBURBONSA-N 1 3 347.547 2.691 10 30 EFEEHO C=CCCN1Cc2ccc(CNC(=O)CC3CC[NH+](C)CC3)cc2C1 ZINC001327696904 1330510246 /nfs/dbraw/zinc/51/02/46/1330510246.db2.gz ZKMMJLZHCCZAGJ-UHFFFAOYSA-N 1 3 341.499 2.926 10 30 EFEEHO CC#CCN1CC[C@]2(NC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@H]12 ZINC001332101299 1330920435 /nfs/dbraw/zinc/92/04/35/1330920435.db2.gz SXPJDTUNRWGNOK-PZJWPPBQSA-N 1 3 345.531 2.778 10 30 EFEEHO CC#CCN1CC[C@]2(NC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@H]12 ZINC001332101299 1330920437 /nfs/dbraw/zinc/92/04/37/1330920437.db2.gz SXPJDTUNRWGNOK-PZJWPPBQSA-N 1 3 345.531 2.778 10 30 EFEEHO C=CCC[NH2+]C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001332859667 1331032578 /nfs/dbraw/zinc/03/25/78/1331032578.db2.gz ZAFZARKAMUZLEE-HNAYVOBHSA-N 1 3 341.515 2.896 10 30 EFEEHO C=C(C)CN[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001333022199 1331068311 /nfs/dbraw/zinc/06/83/11/1331068311.db2.gz SDWPYJVOHSCMGB-CABCVRRESA-N 1 3 349.441 2.663 10 30 EFEEHO N#CCCCC[C@@H](N)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000848409760 1334710698 /nfs/dbraw/zinc/71/06/98/1334710698.db2.gz CWHQUOCMACMSKJ-GOSISDBHSA-N 1 3 334.508 2.559 10 30 EFEEHO C=C(Cl)CN1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001366703067 1337894005 /nfs/dbraw/zinc/89/40/05/1337894005.db2.gz FZPBZXUKWDCPGI-FUHWJXTLSA-N 1 3 349.906 2.870 10 30 EFEEHO C=C(Cl)CN1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001366703067 1337894017 /nfs/dbraw/zinc/89/40/17/1337894017.db2.gz FZPBZXUKWDCPGI-FUHWJXTLSA-N 1 3 349.906 2.870 10 30 EFEEHO C=C(Cl)C[NH2+]CC1CC(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001368825229 1339764593 /nfs/dbraw/zinc/76/45/93/1339764593.db2.gz LHOJCNJTEADJRQ-UHFFFAOYSA-N 1 3 335.879 2.599 10 30 EFEEHO C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001373041961 1340883057 /nfs/dbraw/zinc/88/30/57/1340883057.db2.gz YOZCGZDVOBQCDU-WBVHZDCISA-N 1 3 341.927 2.830 10 30 EFEEHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001380798255 1347886023 /nfs/dbraw/zinc/88/60/23/1347886023.db2.gz HOXSPLZNPYOFPB-DSPLQEQRSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001397151575 1359709230 /nfs/dbraw/zinc/70/92/30/1359709230.db2.gz MMGCXDNGFSCFEJ-JKSUJKDBSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CNC[C@@](C)(NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001401072342 1362412746 /nfs/dbraw/zinc/41/27/46/1362412746.db2.gz JCWZMMPCUSTEHD-MAUKXSAKSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001401072339 1362412792 /nfs/dbraw/zinc/41/27/92/1362412792.db2.gz JCWZMMPCUSTEHD-CRAIPNDOSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001437371392 1387586051 /nfs/dbraw/zinc/58/60/51/1387586051.db2.gz KJVISRAGOQQZRU-CVEARBPZSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CN[C@H](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001437371392 1387586053 /nfs/dbraw/zinc/58/60/53/1387586053.db2.gz KJVISRAGOQQZRU-CVEARBPZSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001403525549 1364731269 /nfs/dbraw/zinc/73/12/69/1364731269.db2.gz LCUILOAMMCYUPW-IRXDYDNUSA-N 1 3 341.927 2.828 10 30 EFEEHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001403525549 1364731271 /nfs/dbraw/zinc/73/12/71/1364731271.db2.gz LCUILOAMMCYUPW-IRXDYDNUSA-N 1 3 341.927 2.828 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001406043523 1367136412 /nfs/dbraw/zinc/13/64/12/1367136412.db2.gz QVAXBTVLFNFGNN-IRXDYDNUSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001406043523 1367136420 /nfs/dbraw/zinc/13/64/20/1367136420.db2.gz QVAXBTVLFNFGNN-IRXDYDNUSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001406087309 1367206314 /nfs/dbraw/zinc/20/63/14/1367206314.db2.gz WAICTXDUUIWMMB-HZPDHXFCSA-N 1 3 329.916 2.590 10 30 EFEEHO C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001420748626 1377594787 /nfs/dbraw/zinc/59/47/87/1377594787.db2.gz VMOWLNMUTJMZEF-GDBMZVCRSA-N 1 3 347.906 2.636 10 30 EFEEHO C=C(Cl)CNC[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001423486464 1381979155 /nfs/dbraw/zinc/97/91/55/1381979155.db2.gz RFZOAXFUUWILMB-RHSMWYFYSA-N 1 3 345.890 2.532 10 30 EFEEHO C=C(Cl)CNC[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001423486464 1381979158 /nfs/dbraw/zinc/97/91/58/1381979158.db2.gz RFZOAXFUUWILMB-RHSMWYFYSA-N 1 3 345.890 2.532 10 30 EFEEHO C=C(Cl)CNC[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001423544557 1382041575 /nfs/dbraw/zinc/04/15/75/1382041575.db2.gz IUYHUEXSEZUMEX-MRXNPFEDSA-N 1 3 341.927 2.878 10 30 EFEEHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C)N(C)C ZINC001423597142 1382140750 /nfs/dbraw/zinc/14/07/50/1382140750.db2.gz BQLWFFNQCTVWMR-QZTJIDSGSA-N 1 3 344.503 2.519 10 30 EFEEHO C=C(Cl)CNC[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C(C)(C)C ZINC001423599005 1382143068 /nfs/dbraw/zinc/14/30/68/1382143068.db2.gz FPRKKFIRUYOZGD-HUUCEWRRSA-N 1 3 329.916 2.734 10 30 EFEEHO C=C(Cl)CNC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C(C)(C)C ZINC001423599005 1382143070 /nfs/dbraw/zinc/14/30/70/1382143070.db2.gz FPRKKFIRUYOZGD-HUUCEWRRSA-N 1 3 329.916 2.734 10 30 EFEEHO C=C(Cl)CNC[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001426134133 1384017340 /nfs/dbraw/zinc/01/73/40/1384017340.db2.gz INWQFNNJSMQURB-HZPDHXFCSA-N 1 3 343.943 2.980 10 30 EFEEHO C=C(Cl)CNC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001426134133 1384017343 /nfs/dbraw/zinc/01/73/43/1384017343.db2.gz INWQFNNJSMQURB-HZPDHXFCSA-N 1 3 343.943 2.980 10 30 EFEEHO C=C(Cl)CNC[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001426148236 1384029607 /nfs/dbraw/zinc/02/96/07/1384029607.db2.gz GVPASYXIHSZYFZ-CQSZACIVSA-N 1 3 329.916 2.734 10 30 EFEEHO C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001439414539 1389270790 /nfs/dbraw/zinc/27/07/90/1389270790.db2.gz BMEPVUDVJOLFCO-CVEARBPZSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCCC1 ZINC001448220748 1392027831 /nfs/dbraw/zinc/02/78/31/1392027831.db2.gz KNLDYWGRZTULIF-JKSUJKDBSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001448220748 1392027836 /nfs/dbraw/zinc/02/78/36/1392027836.db2.gz KNLDYWGRZTULIF-JKSUJKDBSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC001507296581 1406861484 /nfs/dbraw/zinc/86/14/84/1406861484.db2.gz JQDCOMCAQPVICL-APWZRJJASA-N 1 3 329.488 2.907 10 30 EFEEHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001479246301 1397638716 /nfs/dbraw/zinc/63/87/16/1397638716.db2.gz MQNWGYVFCMCIFX-APWZRJJASA-N 1 3 339.499 2.698 10 30 EFEEHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001479246301 1397638719 /nfs/dbraw/zinc/63/87/19/1397638719.db2.gz MQNWGYVFCMCIFX-APWZRJJASA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001479425704 1397722574 /nfs/dbraw/zinc/72/25/74/1397722574.db2.gz SNHKMJVRYHKDNL-ZCNNSNEGSA-N 1 3 343.515 2.733 10 30 EFEEHO C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001479425704 1397722577 /nfs/dbraw/zinc/72/25/77/1397722577.db2.gz SNHKMJVRYHKDNL-ZCNNSNEGSA-N 1 3 343.515 2.733 10 30 EFEEHO C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001479833809 1397928753 /nfs/dbraw/zinc/92/87/53/1397928753.db2.gz LMWAJAQXLJXQKV-QFBILLFUSA-N 1 3 329.488 2.907 10 30 EFEEHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001480173381 1398142511 /nfs/dbraw/zinc/14/25/11/1398142511.db2.gz HFRUDNSSMFTROJ-ATZDWAIDSA-N 1 3 329.488 2.953 10 30 EFEEHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001480665960 1398272268 /nfs/dbraw/zinc/27/22/68/1398272268.db2.gz QKZVQPFCQKOTBI-QFBILLFUSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480826637 1398335008 /nfs/dbraw/zinc/33/50/08/1398335008.db2.gz MSUBRDQIVHLHBR-INIZCTEOSA-N 1 3 341.927 2.974 10 30 EFEEHO C=C(C)CN1CC[C@@H](N(CCC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001493970670 1399023313 /nfs/dbraw/zinc/02/33/13/1399023313.db2.gz HAEVYZMAUDDKGC-HXUWFJFHSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001494654215 1399416699 /nfs/dbraw/zinc/41/66/99/1399416699.db2.gz MLDLLVBXAGMEBV-ROUUACIJSA-N 1 3 341.455 2.818 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001494654215 1399416704 /nfs/dbraw/zinc/41/67/04/1399416704.db2.gz MLDLLVBXAGMEBV-ROUUACIJSA-N 1 3 341.455 2.818 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001495358496 1399902778 /nfs/dbraw/zinc/90/27/78/1399902778.db2.gz VNBNFBHRQFVFAZ-YESZJQIVSA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001495358496 1399902782 /nfs/dbraw/zinc/90/27/82/1399902782.db2.gz VNBNFBHRQFVFAZ-YESZJQIVSA-N 1 3 341.927 2.688 10 30 EFEEHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001497329278 1401306517 /nfs/dbraw/zinc/30/65/17/1401306517.db2.gz ANAHPVJAWYDCSV-INIZCTEOSA-N 1 3 349.906 2.516 10 30 EFEEHO C=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCCC1 ZINC001499496123 1402642815 /nfs/dbraw/zinc/64/28/15/1402642815.db2.gz QKKKDPVGHDMWDU-MVCQKVDPSA-N 1 3 333.520 2.939 10 30 EFEEHO CC#CCN1CCC2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001499589338 1402703164 /nfs/dbraw/zinc/70/31/64/1402703164.db2.gz CVUVPOZRTQHVPY-UHFFFAOYSA-N 1 3 345.531 2.590 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)Cc2nc[nH]c2C)CC1 ZINC001508070369 1407280721 /nfs/dbraw/zinc/28/07/21/1407280721.db2.gz WQOBHUSXPNZHKM-LSDHHAIUSA-N 1 3 332.492 2.832 10 30 EFEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CC/C=C\CC)CC1 ZINC001500057272 1402916734 /nfs/dbraw/zinc/91/67/34/1402916734.db2.gz FXMZWANNTNQPNL-HJWRWDBZSA-N 1 3 333.520 2.609 10 30 EFEEHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C2 ZINC001501169898 1403473351 /nfs/dbraw/zinc/47/33/51/1403473351.db2.gz IEEWFDLYFRRKNM-OKYOBFRVSA-N 1 3 333.520 2.654 10 30 EFEEHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C2 ZINC001501169898 1403473354 /nfs/dbraw/zinc/47/33/54/1403473354.db2.gz IEEWFDLYFRRKNM-OKYOBFRVSA-N 1 3 333.520 2.654 10 30 EFEEHO C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001501190056 1403483792 /nfs/dbraw/zinc/48/37/92/1403483792.db2.gz NAQDBRSOQMJEGS-QAQDUYKDSA-N 1 3 332.492 2.739 10 30 EFEEHO CCCCCCC[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001501222036 1403499023 /nfs/dbraw/zinc/49/90/23/1403499023.db2.gz SWPCNCLINJGWGM-HDICACEKSA-N 1 3 335.536 2.831 10 30 EFEEHO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001501222036 1403499026 /nfs/dbraw/zinc/49/90/26/1403499026.db2.gz SWPCNCLINJGWGM-HDICACEKSA-N 1 3 335.536 2.831 10 30 EFEEHO C=C(C)CN(C)Cc1ccccc1CNC(=O)C12CCC[NH+]1CCC2 ZINC001501665681 1403685833 /nfs/dbraw/zinc/68/58/33/1403685833.db2.gz MXGLJMHSLGOBRV-UHFFFAOYSA-N 1 3 341.499 2.939 10 30 EFEEHO C=C(C)CC[NH2+]Cc1ccc(CNC(=O)Cc2nc[nH]c2C)c(F)c1 ZINC001508242984 1407374111 /nfs/dbraw/zinc/37/41/11/1407374111.db2.gz QYEFEMWRUOOBHQ-UHFFFAOYSA-N 1 3 344.434 2.772 10 30 EFEEHO C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001505446986 1404640892 /nfs/dbraw/zinc/64/08/92/1404640892.db2.gz WUWZMCIFXQSBNY-QFBILLFUSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001505446986 1404640901 /nfs/dbraw/zinc/64/09/01/1404640901.db2.gz WUWZMCIFXQSBNY-QFBILLFUSA-N 1 3 339.499 2.698 10 30 EFEEHO C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001506576228 1405993518 /nfs/dbraw/zinc/99/35/18/1405993518.db2.gz RLIXAZFKVVSDBA-MOPGFXCFSA-N 1 3 333.520 2.635 10 30 EFEEHO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001506576228 1405993524 /nfs/dbraw/zinc/99/35/24/1405993524.db2.gz RLIXAZFKVVSDBA-MOPGFXCFSA-N 1 3 333.520 2.635 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001565923199 1415450403 /nfs/dbraw/zinc/45/04/03/1415450403.db2.gz WPZOGOMBCBASAE-QZTJIDSGSA-N 1 3 333.520 2.750 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001565938747 1415457252 /nfs/dbraw/zinc/45/72/52/1415457252.db2.gz LNKLOEWSCHCORZ-GOEBONIOSA-N 1 3 341.927 2.688 10 30 EFEEHO C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001565973180 1415467164 /nfs/dbraw/zinc/46/71/64/1415467164.db2.gz UMHZFTLWPJXPJL-JTDSTZFVSA-N 1 3 339.499 2.602 10 30 EFEEHO C=CCN1CCC(N(CCC)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001566697702 1415737766 /nfs/dbraw/zinc/73/77/66/1415737766.db2.gz KJIGNROENZKFKL-IEBWSBKVSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCN1CCC(N(CCC)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001566697702 1415737769 /nfs/dbraw/zinc/73/77/69/1415737769.db2.gz KJIGNROENZKFKL-IEBWSBKVSA-N 1 3 333.520 2.892 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001567409392 1416123971 /nfs/dbraw/zinc/12/39/71/1416123971.db2.gz GWPQKKCLRINRPI-VQIMIIECSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001567409392 1416123974 /nfs/dbraw/zinc/12/39/74/1416123974.db2.gz GWPQKKCLRINRPI-VQIMIIECSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001568067763 1416391472 /nfs/dbraw/zinc/39/14/72/1416391472.db2.gz ILBFEOJJIRYZHB-LPHOPBHVSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568387175 1416507292 /nfs/dbraw/zinc/50/72/92/1416507292.db2.gz RDZBLDYCIJVCKB-IRXDYDNUSA-N 1 3 341.927 2.974 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568387175 1416507296 /nfs/dbraw/zinc/50/72/96/1416507296.db2.gz RDZBLDYCIJVCKB-IRXDYDNUSA-N 1 3 341.927 2.974 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001699020249 1417371770 /nfs/dbraw/zinc/37/17/70/1417371770.db2.gz MRJFAPFJRZATIS-MSOLQXFVSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001699020249 1417371773 /nfs/dbraw/zinc/37/17/73/1417371773.db2.gz MRJFAPFJRZATIS-MSOLQXFVSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001699533055 1417428724 /nfs/dbraw/zinc/42/87/24/1417428724.db2.gz AMEQUFXSAUHRKI-GOSISDBHSA-N 1 3 327.488 2.603 10 30 EFEEHO C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001699674425 1417447846 /nfs/dbraw/zinc/44/78/46/1417447846.db2.gz WAJPJAXOAIANBZ-PMACEKPBSA-N 1 3 345.531 2.589 10 30 EFEEHO C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001699674427 1417448019 /nfs/dbraw/zinc/44/80/19/1417448019.db2.gz WAJPJAXOAIANBZ-VQTJNVASSA-N 1 3 345.531 2.589 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1CCC ZINC001699684350 1417451611 /nfs/dbraw/zinc/45/16/11/1417451611.db2.gz RNLCVZJHOONDFX-CEXWTWQISA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1CCC ZINC001699684350 1417451614 /nfs/dbraw/zinc/45/16/14/1417451614.db2.gz RNLCVZJHOONDFX-CEXWTWQISA-N 1 3 333.520 2.892 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001699929801 1417510955 /nfs/dbraw/zinc/51/09/55/1417510955.db2.gz AJPLHINJJYOCGA-XLIONFOSSA-N 1 3 343.515 2.914 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001699929801 1417510957 /nfs/dbraw/zinc/51/09/57/1417510957.db2.gz AJPLHINJJYOCGA-XLIONFOSSA-N 1 3 343.515 2.914 10 30 EFEEHO C#CCC[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)c1ccccc1CC ZINC001699931704 1417511578 /nfs/dbraw/zinc/51/15/78/1417511578.db2.gz FEVRVDUAPFCNHP-IBGZPJMESA-N 1 3 341.499 2.504 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001716705520 1418964118 /nfs/dbraw/zinc/96/41/18/1418964118.db2.gz BEWDTGQJIRRUAD-RTBURBONSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001716705520 1418964120 /nfs/dbraw/zinc/96/41/20/1418964120.db2.gz BEWDTGQJIRRUAD-RTBURBONSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001716705519 1418964259 /nfs/dbraw/zinc/96/42/59/1418964259.db2.gz BEWDTGQJIRRUAD-RBUKOAKNSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001716705519 1418964262 /nfs/dbraw/zinc/96/42/62/1418964262.db2.gz BEWDTGQJIRRUAD-RBUKOAKNSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CCCC1 ZINC001716822373 1419032124 /nfs/dbraw/zinc/03/21/24/1419032124.db2.gz KTNJUAHXDPIOSP-RTBURBONSA-N 1 3 333.520 2.537 10 30 EFEEHO C=CCN1CCC[C@@](C)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001716900463 1419085606 /nfs/dbraw/zinc/08/56/06/1419085606.db2.gz YGMUHYNIJNOJTP-NRFANRHFSA-N 1 3 343.515 2.809 10 30 EFEEHO C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C2 ZINC001716997929 1419133525 /nfs/dbraw/zinc/13/35/25/1419133525.db2.gz BJJOOWDFOLRCPX-REPLKXPHSA-N 1 3 345.531 2.633 10 30 EFEEHO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C2 ZINC001716997929 1419133528 /nfs/dbraw/zinc/13/35/28/1419133528.db2.gz BJJOOWDFOLRCPX-REPLKXPHSA-N 1 3 345.531 2.633 10 30 EFEEHO C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001717003337 1419138707 /nfs/dbraw/zinc/13/87/07/1419138707.db2.gz VWVJBHLSPWWRKE-FHWLQOOXSA-N 1 3 335.536 2.948 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN1CC[C@H](C)C1 ZINC001717361189 1419354503 /nfs/dbraw/zinc/35/45/03/1419354503.db2.gz HQWOKLNFTPQIFX-LDQXTDLNSA-N 1 3 341.499 2.666 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001717629824 1419478709 /nfs/dbraw/zinc/47/87/09/1419478709.db2.gz XOQCUXFTANUTQK-ZWKOTPCHSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001717629824 1419478710 /nfs/dbraw/zinc/47/87/10/1419478710.db2.gz XOQCUXFTANUTQK-ZWKOTPCHSA-N 1 3 333.520 2.607 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCCC(C)(C)C)C2)CC1 ZINC001717652913 1419488080 /nfs/dbraw/zinc/48/80/80/1419488080.db2.gz WBYUZIRTTCEGHS-UAPYVXQJSA-N 1 3 347.547 2.642 10 30 EFEEHO CC[N@H+](C)CCC(=O)N[C@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001717969995 1419634856 /nfs/dbraw/zinc/63/48/56/1419634856.db2.gz HABGQQZTCCYTAS-LJQANCHMSA-N 1 3 343.515 2.500 10 30 EFEEHO CC[N@@H+](C)CCC(=O)N[C@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001717969995 1419634858 /nfs/dbraw/zinc/63/48/58/1419634858.db2.gz HABGQQZTCCYTAS-LJQANCHMSA-N 1 3 343.515 2.500 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC(CC)CC)C(C)(C)C)CC1 ZINC001717973821 1419636406 /nfs/dbraw/zinc/63/64/06/1419636406.db2.gz MDIGWPLJXZUMMZ-LJQANCHMSA-N 1 3 349.563 2.888 10 30 EFEEHO C=C(C)CC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001717987254 1419644172 /nfs/dbraw/zinc/64/41/72/1419644172.db2.gz RRJFUGBKDWYSQG-GJZGRUSLSA-N 1 3 349.441 2.662 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001723722332 1424569965 /nfs/dbraw/zinc/56/99/65/1424569965.db2.gz UNXFORXHQCHYCI-LJQANCHMSA-N 1 3 330.476 2.623 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001723722332 1424569967 /nfs/dbraw/zinc/56/99/67/1424569967.db2.gz UNXFORXHQCHYCI-LJQANCHMSA-N 1 3 330.476 2.623 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1CCC ZINC001724654065 1424887020 /nfs/dbraw/zinc/88/70/20/1424887020.db2.gz SDBACVGEEHXAAJ-QRVBRYPASA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1CCC ZINC001724654065 1424887030 /nfs/dbraw/zinc/88/70/30/1424887030.db2.gz SDBACVGEEHXAAJ-QRVBRYPASA-N 1 3 333.520 2.892 10 30 EFEEHO C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCCN1CC ZINC001724742801 1424970023 /nfs/dbraw/zinc/97/00/23/1424970023.db2.gz TUIQFVSOLJLGDX-HXUWFJFHSA-N 1 3 341.499 2.632 10 30 EFEEHO C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCCN1CC ZINC001724742801 1424970025 /nfs/dbraw/zinc/97/00/25/1424970025.db2.gz TUIQFVSOLJLGDX-HXUWFJFHSA-N 1 3 341.499 2.632 10 30 EFEEHO C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001725026146 1425236569 /nfs/dbraw/zinc/23/65/69/1425236569.db2.gz IHEROAGVLILAGP-GOSISDBHSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)CC[N@H+](CC)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001725026146 1425236580 /nfs/dbraw/zinc/23/65/80/1425236580.db2.gz IHEROAGVLILAGP-GOSISDBHSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001725817904 1425876927 /nfs/dbraw/zinc/87/69/27/1425876927.db2.gz YZHVJSNFZAIEJQ-IEBWSBKVSA-N 1 3 333.520 2.964 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001725817904 1425876934 /nfs/dbraw/zinc/87/69/34/1425876934.db2.gz YZHVJSNFZAIEJQ-IEBWSBKVSA-N 1 3 333.520 2.964 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001725817902 1425877294 /nfs/dbraw/zinc/87/72/94/1425877294.db2.gz YZHVJSNFZAIEJQ-HKUYNNGSSA-N 1 3 333.520 2.964 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001725817902 1425877300 /nfs/dbraw/zinc/87/73/00/1425877300.db2.gz YZHVJSNFZAIEJQ-HKUYNNGSSA-N 1 3 333.520 2.964 10 30 EFEEHO C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001725828687 1425893830 /nfs/dbraw/zinc/89/38/30/1425893830.db2.gz ZRZHIEDKQHGCTH-LJQANCHMSA-N 1 3 333.520 2.964 10 30 EFEEHO C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001725828687 1425893833 /nfs/dbraw/zinc/89/38/33/1425893833.db2.gz ZRZHIEDKQHGCTH-LJQANCHMSA-N 1 3 333.520 2.964 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913098130 727780921 /nfs/dbraw/zinc/78/09/21/727780921.db2.gz YTCUYVZETUKQPF-LPHOPBHVSA-N 1 3 329.488 2.521 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC000913098132 727780987 /nfs/dbraw/zinc/78/09/87/727780987.db2.gz YTCUYVZETUKQPF-VQIMIIECSA-N 1 3 329.488 2.521 10 30 EFEEHO C=CCN1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941157301 727874027 /nfs/dbraw/zinc/87/40/27/727874027.db2.gz AOUPPOQLADTLOK-SFHVURJKSA-N 1 3 333.520 2.511 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001569471270 1085269152 /nfs/dbraw/zinc/26/91/52/1085269152.db2.gz ZMMLKKGAFMSXEH-MOPGFXCFSA-N 1 3 347.547 2.997 10 30 EFEEHO CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001569478942 1085283541 /nfs/dbraw/zinc/28/35/41/1085283541.db2.gz PDUMFFQBMBTBRV-LJQANCHMSA-N 1 3 332.492 2.847 10 30 EFEEHO CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001569478942 1085283549 /nfs/dbraw/zinc/28/35/49/1085283549.db2.gz PDUMFFQBMBTBRV-LJQANCHMSA-N 1 3 332.492 2.847 10 30 EFEEHO C=CCCCCC[NH+]1CCC(C)(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001569577537 1085396527 /nfs/dbraw/zinc/39/65/27/1085396527.db2.gz WGIVBUOIYWIUDB-UHFFFAOYSA-N 1 3 332.492 2.978 10 30 EFEEHO C#CCNC[C@@H](NC(=O)CC[N@@H+](C)CC)c1ccc2ccccc2c1 ZINC001569598134 1085424344 /nfs/dbraw/zinc/42/43/44/1085424344.db2.gz WVAULWGLYHZWKZ-HXUWFJFHSA-N 1 3 337.467 2.562 10 30 EFEEHO C#CCNC[C@@H](NC(=O)CC[N@H+](C)CC)c1ccc2ccccc2c1 ZINC001569598134 1085424350 /nfs/dbraw/zinc/42/43/50/1085424350.db2.gz WVAULWGLYHZWKZ-HXUWFJFHSA-N 1 3 337.467 2.562 10 30 EFEEHO C#CCN1CCC([C@H]2CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001569799514 1085615538 /nfs/dbraw/zinc/61/55/38/1085615538.db2.gz GDCIEFOSKVICQL-PMACEKPBSA-N 1 3 347.547 2.691 10 30 EFEEHO C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN1C(C)C ZINC001569869542 1085698240 /nfs/dbraw/zinc/69/82/40/1085698240.db2.gz WTTYMKAVGIBWMW-IBGZPJMESA-N 1 3 329.488 2.664 10 30 EFEEHO C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001569883439 1085715889 /nfs/dbraw/zinc/71/58/89/1085715889.db2.gz BRLFONDCTKBWHX-LWYYNNOASA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001569883439 1085715896 /nfs/dbraw/zinc/71/58/96/1085715896.db2.gz BRLFONDCTKBWHX-LWYYNNOASA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001570026759 1085876452 /nfs/dbraw/zinc/87/64/52/1085876452.db2.gz JDEQATLRUBZVJK-IBGZPJMESA-N 1 3 329.488 2.795 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001570026759 1085876463 /nfs/dbraw/zinc/87/64/63/1085876463.db2.gz JDEQATLRUBZVJK-IBGZPJMESA-N 1 3 329.488 2.795 10 30 EFEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC001570032966 1085884973 /nfs/dbraw/zinc/88/49/73/1085884973.db2.gz ISBINNDQGZKKSM-KRWDZBQOSA-N 1 3 349.478 2.962 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001570275103 1086115898 /nfs/dbraw/zinc/11/58/98/1086115898.db2.gz PHKHBLUIAUMBQR-QFBILLFUSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001570275103 1086115904 /nfs/dbraw/zinc/11/59/04/1086115904.db2.gz PHKHBLUIAUMBQR-QFBILLFUSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001570544574 1086341201 /nfs/dbraw/zinc/34/12/01/1086341201.db2.gz ZCPVQMNKIMGJPB-OALUTQOASA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001570544574 1086341212 /nfs/dbraw/zinc/34/12/12/1086341212.db2.gz ZCPVQMNKIMGJPB-OALUTQOASA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001570544573 1086342279 /nfs/dbraw/zinc/34/22/79/1086342279.db2.gz ZCPVQMNKIMGJPB-MOPGFXCFSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001570544573 1086342291 /nfs/dbraw/zinc/34/22/91/1086342291.db2.gz ZCPVQMNKIMGJPB-MOPGFXCFSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001570550907 1086351272 /nfs/dbraw/zinc/35/12/72/1086351272.db2.gz GZNZMJPBFXYUHU-MOPGFXCFSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001570550907 1086351281 /nfs/dbraw/zinc/35/12/81/1086351281.db2.gz GZNZMJPBFXYUHU-MOPGFXCFSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]21 ZINC001571510480 1086915890 /nfs/dbraw/zinc/91/58/90/1086915890.db2.gz FDACSXOOMMBHOS-HSALFYBXSA-N 1 3 347.547 2.901 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CCCCC)C(C)(C)C)CC1 ZINC001571638501 1087009924 /nfs/dbraw/zinc/00/99/24/1087009924.db2.gz SDTRTAQYRHPNOJ-GOSISDBHSA-N 1 3 335.536 2.642 10 30 EFEEHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCN2CCC)c(F)c1 ZINC001571703213 1087076516 /nfs/dbraw/zinc/07/65/16/1087076516.db2.gz YBQRAQACRSNYSH-GOSISDBHSA-N 1 3 333.451 2.592 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001267376412 1094369446 /nfs/dbraw/zinc/36/94/46/1094369446.db2.gz DALKDWJUNNDJFD-IEBWSBKVSA-N 1 3 329.488 2.884 10 30 EFEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1CCCCC1 ZINC001268121438 1095413153 /nfs/dbraw/zinc/41/31/53/1095413153.db2.gz ACMYUBXEFMNZEZ-PKOBYXMFSA-N 1 3 333.520 2.539 10 30 EFEEHO C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001268198491 1096078096 /nfs/dbraw/zinc/07/80/96/1096078096.db2.gz RSTYARCWCXHHCH-QFBILLFUSA-N 1 3 329.488 2.765 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]CCC2CCCCC2)CC1 ZINC001268425446 1096577598 /nfs/dbraw/zinc/57/75/98/1096577598.db2.gz FWTISNLDZYGZRJ-GOSISDBHSA-N 1 3 347.547 2.786 10 30 EFEEHO C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001481850320 1096794476 /nfs/dbraw/zinc/79/44/76/1096794476.db2.gz KUYLBPSMPPLFDJ-CRAIPNDOSA-N 1 3 327.488 2.650 10 30 EFEEHO C=CCCCCCN1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001269255634 1097989723 /nfs/dbraw/zinc/98/97/23/1097989723.db2.gz RMDJGZHOJOOBGK-GOSISDBHSA-N 1 3 333.520 2.799 10 30 EFEEHO C=CCCCCCN1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001269255635 1097990290 /nfs/dbraw/zinc/99/02/90/1097990290.db2.gz RMDJGZHOJOOBGK-SFHVURJKSA-N 1 3 333.520 2.799 10 30 EFEEHO C#CCN1CCC2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)CC1 ZINC001269709261 1098384704 /nfs/dbraw/zinc/38/47/04/1098384704.db2.gz UKQMOLZUVTWNQG-UHFFFAOYSA-N 1 3 345.531 2.589 10 30 EFEEHO C#CCN1CCC2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)CC1 ZINC001269709261 1098384708 /nfs/dbraw/zinc/38/47/08/1098384708.db2.gz UKQMOLZUVTWNQG-UHFFFAOYSA-N 1 3 345.531 2.589 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C)CC[NH+](CC/C=C\CC)CC2)CC1 ZINC001270266546 1098886844 /nfs/dbraw/zinc/88/68/44/1098886844.db2.gz JRINXTOEBDMGCO-SREVYHEPSA-N 1 3 345.531 2.659 10 30 EFEEHO CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001270511547 1099158801 /nfs/dbraw/zinc/15/88/01/1099158801.db2.gz BPIXOPAGJHYWJX-OAQYLSRUSA-N 1 3 345.531 2.590 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CCC2=CCCCC2)CC1 ZINC001268016061 1099187496 /nfs/dbraw/zinc/18/74/96/1099187496.db2.gz YDINZSSPPTUJPI-SFHVURJKSA-N 1 3 345.531 2.564 10 30 EFEEHO C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001270869790 1099918958 /nfs/dbraw/zinc/91/89/58/1099918958.db2.gz DQUVXLWLFJEPIG-GOSISDBHSA-N 1 3 333.520 2.751 10 30 EFEEHO CC#CC[NH2+]CC[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001267900778 1099963867 /nfs/dbraw/zinc/96/38/67/1099963867.db2.gz NLKIHULYPVTRKW-GOSISDBHSA-N 1 3 341.499 2.603 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001266371158 1101763979 /nfs/dbraw/zinc/76/39/79/1101763979.db2.gz TUZBTWZHLUVMTI-MSOLQXFVSA-N 1 3 333.520 2.796 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001271609525 1102174129 /nfs/dbraw/zinc/17/41/29/1102174129.db2.gz POPPGZFGSLKVNR-QGZVFWFLSA-N 1 3 341.927 2.976 10 30 EFEEHO CC#CCN1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1CC ZINC001656728066 1102185413 /nfs/dbraw/zinc/18/54/13/1102185413.db2.gz XATWFGIYOBLYFU-RBUKOAKNSA-N 1 3 333.520 2.633 10 30 EFEEHO CC#CCN1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1CC ZINC001656728066 1102185421 /nfs/dbraw/zinc/18/54/21/1102185421.db2.gz XATWFGIYOBLYFU-RBUKOAKNSA-N 1 3 333.520 2.633 10 30 EFEEHO CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001656832774 1102216604 /nfs/dbraw/zinc/21/66/04/1102216604.db2.gz IGXRMZGGUALBIM-SJORKVTESA-N 1 3 332.492 2.703 10 30 EFEEHO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001656832774 1102216615 /nfs/dbraw/zinc/21/66/15/1102216615.db2.gz IGXRMZGGUALBIM-SJORKVTESA-N 1 3 332.492 2.703 10 30 EFEEHO C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271663789 1102226389 /nfs/dbraw/zinc/22/63/89/1102226389.db2.gz AZEXAOKUXYQKBK-MOPGFXCFSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271665283 1102227441 /nfs/dbraw/zinc/22/74/41/1102227441.db2.gz JRGLRTXKMFLFAE-RTBURBONSA-N 1 3 335.536 2.901 10 30 EFEEHO C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001271678366 1102241598 /nfs/dbraw/zinc/24/15/98/1102241598.db2.gz QOZXKSHJDKNRMA-XLIONFOSSA-N 1 3 341.499 2.602 10 30 EFEEHO C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001271678364 1102242015 /nfs/dbraw/zinc/24/20/15/1102242015.db2.gz QOZXKSHJDKNRMA-FXAWDEMLSA-N 1 3 341.499 2.602 10 30 EFEEHO C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001482501413 1102423419 /nfs/dbraw/zinc/42/34/19/1102423419.db2.gz OQMPZVXQJFFEEY-PXNSSMCTSA-N 1 3 341.499 2.602 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001271777302 1102656710 /nfs/dbraw/zinc/65/67/10/1102656710.db2.gz NDXMNDIYHUTLED-IYARVYRRSA-N 1 3 335.536 2.949 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001482571364 1103690185 /nfs/dbraw/zinc/69/01/85/1103690185.db2.gz LNVGXPDKTMXXIO-DLBZAZTESA-N 1 3 343.943 2.980 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001662796565 1103817483 /nfs/dbraw/zinc/81/74/83/1103817483.db2.gz BHBFGQHYOPUPHK-OALUTQOASA-N 1 3 347.547 2.785 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCCCC)C2)CC1 ZINC001662797002 1103819683 /nfs/dbraw/zinc/81/96/83/1103819683.db2.gz KIZUNCHMMSTYGC-VQTJNVASSA-N 1 3 347.547 2.929 10 30 EFEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)CC[NH+]1CCCCC1 ZINC001663123537 1103999111 /nfs/dbraw/zinc/99/91/11/1103999111.db2.gz HYBMJIQCELEORN-QGZVFWFLSA-N 1 3 341.927 2.976 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]CCCC(C)(C)C)CC1 ZINC001665888802 1104799810 /nfs/dbraw/zinc/79/98/10/1104799810.db2.gz WCMWUXYSQQIXCM-SFHVURJKSA-N 1 3 335.536 2.642 10 30 EFEEHO C#CCNCc1ccc(CNC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC001666340883 1104928927 /nfs/dbraw/zinc/92/89/27/1104928927.db2.gz CWVVZTUJBDWGEY-UHFFFAOYSA-N 1 3 341.499 2.538 10 30 EFEEHO C#CCNCc1ccc(CNC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC001666341077 1104929918 /nfs/dbraw/zinc/92/99/18/1104929918.db2.gz KGCWSSVIFYGZPD-UHFFFAOYSA-N 1 3 341.499 2.680 10 30 EFEEHO C#CCNCc1ccc(CNC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC001666341077 1104929922 /nfs/dbraw/zinc/92/99/22/1104929922.db2.gz KGCWSSVIFYGZPD-UHFFFAOYSA-N 1 3 341.499 2.680 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001667262382 1105101568 /nfs/dbraw/zinc/10/15/68/1105101568.db2.gz JHJHEADZJWGQMR-INIZCTEOSA-N 1 3 327.900 2.584 10 30 EFEEHO C#CC[N@@H+](C)CCC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001667426069 1105145102 /nfs/dbraw/zinc/14/51/02/1105145102.db2.gz GGTDDSJMVHQPEI-UHFFFAOYSA-N 1 3 341.499 2.556 10 30 EFEEHO C#CC[N@H+](C)CCC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001667426069 1105145105 /nfs/dbraw/zinc/14/51/05/1105145105.db2.gz GGTDDSJMVHQPEI-UHFFFAOYSA-N 1 3 341.499 2.556 10 30 EFEEHO CCCN(C)CC(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001668282555 1105273461 /nfs/dbraw/zinc/27/34/61/1105273461.db2.gz DBAQQPASPHBZNA-MRXNPFEDSA-N 1 3 349.906 2.518 10 30 EFEEHO C#CCN1CCC(C(=O)N(CC)CC[NH2+][C@H](C)c2ccccc2)CC1 ZINC001482970478 1105273507 /nfs/dbraw/zinc/27/35/07/1105273507.db2.gz VAQXGBYQJVOXEY-GOSISDBHSA-N 1 3 341.499 2.531 10 30 EFEEHO CC#CCN1CCC[C@@](C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001671891949 1105723320 /nfs/dbraw/zinc/72/33/20/1105723320.db2.gz IVYSBHZDVIQVNW-NRFANRHFSA-N 1 3 347.547 2.881 10 30 EFEEHO CC#CCN1CCC[C@@](C)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001671891949 1105723321 /nfs/dbraw/zinc/72/33/21/1105723321.db2.gz IVYSBHZDVIQVNW-NRFANRHFSA-N 1 3 347.547 2.881 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001671916406 1105729988 /nfs/dbraw/zinc/72/99/88/1105729988.db2.gz KYMJXTRRPZHFOD-KXBFYZLASA-N 1 3 332.492 2.834 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001671916406 1105729993 /nfs/dbraw/zinc/72/99/93/1105729993.db2.gz KYMJXTRRPZHFOD-KXBFYZLASA-N 1 3 332.492 2.834 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001672416150 1105827681 /nfs/dbraw/zinc/82/76/81/1105827681.db2.gz CRALWFHIIYVQMF-GBESFXJTSA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001672416150 1105827688 /nfs/dbraw/zinc/82/76/88/1105827688.db2.gz CRALWFHIIYVQMF-GBESFXJTSA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001672531009 1105859356 /nfs/dbraw/zinc/85/93/56/1105859356.db2.gz PEPBVDVCACDXGX-QZTJIDSGSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[N@H+]1CCc2c(CNC(=O)[C@@H](CC)N(C)C)cccc2C1 ZINC001673079577 1105970556 /nfs/dbraw/zinc/97/05/56/1105970556.db2.gz GJYULUVPSNWHOI-LJQANCHMSA-N 1 3 329.488 2.577 10 30 EFEEHO C=CCC[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)N(C)C)cccc2C1 ZINC001673079577 1105970560 /nfs/dbraw/zinc/97/05/60/1105970560.db2.gz GJYULUVPSNWHOI-LJQANCHMSA-N 1 3 329.488 2.577 10 30 EFEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001674033025 1106127617 /nfs/dbraw/zinc/12/76/17/1106127617.db2.gz DTTMOXSMCRZEBX-MOPGFXCFSA-N 1 3 347.547 2.737 10 30 EFEEHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001674033025 1106127620 /nfs/dbraw/zinc/12/76/20/1106127620.db2.gz DTTMOXSMCRZEBX-MOPGFXCFSA-N 1 3 347.547 2.737 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001674510232 1106211226 /nfs/dbraw/zinc/21/12/26/1106211226.db2.gz HEWXDFYPPREPTQ-IBGZPJMESA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001674510232 1106211229 /nfs/dbraw/zinc/21/12/29/1106211229.db2.gz HEWXDFYPPREPTQ-IBGZPJMESA-N 1 3 335.536 2.853 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)C2C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001675363510 1106347986 /nfs/dbraw/zinc/34/79/86/1106347986.db2.gz KDMDBPATAUPDSW-QGZVFWFLSA-N 1 3 347.547 2.594 10 30 EFEEHO C=C(Cl)CNCCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001676089838 1106484265 /nfs/dbraw/zinc/48/42/65/1106484265.db2.gz UNBNAEBREUQVTL-GOSISDBHSA-N 1 3 349.906 2.699 10 30 EFEEHO C=C(Cl)CNCCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676089838 1106484270 /nfs/dbraw/zinc/48/42/70/1106484270.db2.gz UNBNAEBREUQVTL-GOSISDBHSA-N 1 3 349.906 2.699 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC001676839200 1106601152 /nfs/dbraw/zinc/60/11/52/1106601152.db2.gz ZSAKRGGTKJCGPX-YTQUADARSA-N 1 3 333.520 2.654 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCC(C)(C)C)CC1 ZINC001272344207 1108011907 /nfs/dbraw/zinc/01/19/07/1108011907.db2.gz SAOFHMUFYFXNQE-OALUTQOASA-N 1 3 347.547 2.642 10 30 EFEEHO CCCCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001272226424 1108329377 /nfs/dbraw/zinc/32/93/77/1108329377.db2.gz ROFGEMYVZLQGSI-FUHWJXTLSA-N 1 3 332.492 2.845 10 30 EFEEHO CCCCCCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001272226424 1108329398 /nfs/dbraw/zinc/32/93/98/1108329398.db2.gz ROFGEMYVZLQGSI-FUHWJXTLSA-N 1 3 332.492 2.845 10 30 EFEEHO CC#CC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)C1CCCCCC1 ZINC001483813282 1112480812 /nfs/dbraw/zinc/48/08/12/1112480812.db2.gz LNEQENJCXVJTPP-LJQANCHMSA-N 1 3 335.536 2.737 10 30 EFEEHO CC#CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)C1CCCCCC1 ZINC001483813282 1112480814 /nfs/dbraw/zinc/48/08/14/1112480814.db2.gz LNEQENJCXVJTPP-LJQANCHMSA-N 1 3 335.536 2.737 10 30 EFEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001483989110 1112635143 /nfs/dbraw/zinc/63/51/43/1112635143.db2.gz XEFPPEVZZPMIHX-AZUAARDMSA-N 1 3 349.563 2.935 10 30 EFEEHO C=CCC[N@H+]1CCc2c(CNC(=O)[C@@H](C(C)C)N(C)C)cccc2C1 ZINC001484613004 1113056089 /nfs/dbraw/zinc/05/60/89/1113056089.db2.gz VYDZVAUULKXAFF-HXUWFJFHSA-N 1 3 343.515 2.823 10 30 EFEEHO C=CCC[N@@H+]1CCc2c(CNC(=O)[C@@H](C(C)C)N(C)C)cccc2C1 ZINC001484613004 1113056093 /nfs/dbraw/zinc/05/60/93/1113056093.db2.gz VYDZVAUULKXAFF-HXUWFJFHSA-N 1 3 343.515 2.823 10 30 EFEEHO C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001484820266 1117754481 /nfs/dbraw/zinc/75/44/81/1117754481.db2.gz LZOITJOMSPATHL-INIZCTEOSA-N 1 3 341.927 2.974 10 30 EFEEHO C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001485081525 1118031730 /nfs/dbraw/zinc/03/17/30/1118031730.db2.gz FCYMCSNXZWOJFX-ROUUACIJSA-N 1 3 335.536 2.711 10 30 EFEEHO C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001485081525 1118031733 /nfs/dbraw/zinc/03/17/33/1118031733.db2.gz FCYMCSNXZWOJFX-ROUUACIJSA-N 1 3 335.536 2.711 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCCC2CCCC2)CC1 ZINC001485230733 1118156432 /nfs/dbraw/zinc/15/64/32/1118156432.db2.gz XIZYVDKLNDLNGZ-ZWKOTPCHSA-N 1 3 347.547 2.785 10 30 EFEEHO C=CCN1CCCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001485661582 1118510836 /nfs/dbraw/zinc/51/08/36/1118510836.db2.gz DVKLICQTLJTVJJ-UHFFFAOYSA-N 1 3 333.520 2.609 10 30 EFEEHO CC#CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800799 1118634077 /nfs/dbraw/zinc/63/40/77/1118634077.db2.gz HMHCBBZEUHNXFH-RTBURBONSA-N 1 3 345.531 2.633 10 30 EFEEHO CC#CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800799 1118634079 /nfs/dbraw/zinc/63/40/79/1118634079.db2.gz HMHCBBZEUHNXFH-RTBURBONSA-N 1 3 345.531 2.633 10 30 EFEEHO C[NH+]=C(NCc1nc(C(C)C)c(C)s1)NC1CCN(C2CC2)CC1 ZINC000262792832 240370827 /nfs/dbraw/zinc/37/08/27/240370827.db2.gz OOIULEUMTGJZSR-UHFFFAOYSA-N 1 3 349.548 2.867 10 30 EFEEHO [NH2+]=C(N[C@H]1CC12CCCC2)NC1CCN(Cc2ccccc2)CC1 ZINC000263289438 240382544 /nfs/dbraw/zinc/38/25/44/240382544.db2.gz VUGCONGWDJHWDL-SFHVURJKSA-N 1 3 326.488 2.888 10 30 EFEEHO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000414296949 244079129 /nfs/dbraw/zinc/07/91/29/244079129.db2.gz FWGNIVJADATDJB-RTBURBONSA-N 1 3 327.472 2.685 10 30 EFEEHO CC[NH+]1CCC(CCNC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433382917 248055170 /nfs/dbraw/zinc/05/51/70/248055170.db2.gz QLJFKQOJHHCTDT-LJQANCHMSA-N 1 3 327.472 2.997 10 30 EFEEHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(C#N)CCc2ccccc2)[C@@H](C)C1 ZINC000433471365 248063865 /nfs/dbraw/zinc/06/38/65/248063865.db2.gz OFQWBEHFLINWPD-UHOSZYNNSA-N 1 3 327.472 2.948 10 30 EFEEHO CC[N@H+]1CC[C@H](N(C)C(=O)C(C#N)CCc2ccccc2)[C@@H](C)C1 ZINC000433471365 248063867 /nfs/dbraw/zinc/06/38/67/248063867.db2.gz OFQWBEHFLINWPD-UHOSZYNNSA-N 1 3 327.472 2.948 10 30 EFEEHO C=CCc1cc([C@H]2N[C@@](C)(CO)[C@H]3C[N@H+](C)C[C@H]32)ccc1OC(C)C ZINC000065430594 472941296 /nfs/dbraw/zinc/94/12/96/472941296.db2.gz REMDZLUDUCYKTI-JYRKZWEQSA-N 1 3 344.499 2.775 10 30 EFEEHO C=CCc1cc([C@H]2N[C@@](C)(CO)[C@H]3C[N@@H+](C)C[C@H]32)ccc1OC(C)C ZINC000065430594 472941301 /nfs/dbraw/zinc/94/13/01/472941301.db2.gz REMDZLUDUCYKTI-JYRKZWEQSA-N 1 3 344.499 2.775 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000107848184 472986911 /nfs/dbraw/zinc/98/69/11/472986911.db2.gz PHHBGYVWQKFXJY-IBGZPJMESA-N 1 3 348.535 2.687 10 30 EFEEHO C=CCC[C@@H](O)C[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000127651505 473637348 /nfs/dbraw/zinc/63/73/48/473637348.db2.gz DMZXEEXGIPJJBZ-NHCUHLMSSA-N 1 3 346.515 2.691 10 30 EFEEHO C=CCC[C@@H](O)C[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000127651505 473637352 /nfs/dbraw/zinc/63/73/52/473637352.db2.gz DMZXEEXGIPJJBZ-NHCUHLMSSA-N 1 3 346.515 2.691 10 30 EFEEHO Cn1cc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cc1C#N ZINC000310837550 474829689 /nfs/dbraw/zinc/82/96/89/474829689.db2.gz MZPDQXWKCNXPTO-SESVDKBCSA-N 1 3 334.467 2.897 10 30 EFEEHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358576237 475781587 /nfs/dbraw/zinc/78/15/87/475781587.db2.gz SYJAJYCDEWQYLX-HZPDHXFCSA-N 1 3 332.467 2.622 10 30 EFEEHO C=CCOc1ccccc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415123592 476908293 /nfs/dbraw/zinc/90/82/93/476908293.db2.gz LHUYBUJBFMJGJX-ICSRJNTNSA-N 1 3 330.472 2.970 10 30 EFEEHO COC[C@]1(CNC2CCC(C#N)(c3ccccc3)CC2)CCC[NH2+]1 ZINC000423413592 477025464 /nfs/dbraw/zinc/02/54/64/477025464.db2.gz KXACXIDPOMRUBS-SOAGJPPSSA-N 1 3 327.472 2.749 10 30 EFEEHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](N)CCCCC#N ZINC000594435146 478384359 /nfs/dbraw/zinc/38/43/59/478384359.db2.gz BJSTWQWOZUCSIY-GOSISDBHSA-N 1 3 330.476 2.508 10 30 EFEEHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594436824 478387002 /nfs/dbraw/zinc/38/70/02/478387002.db2.gz GGTKMVWQEDZFNT-NEWSRXKRSA-N 1 3 342.487 2.567 10 30 EFEEHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594436824 478387005 /nfs/dbraw/zinc/38/70/05/478387005.db2.gz GGTKMVWQEDZFNT-NEWSRXKRSA-N 1 3 342.487 2.567 10 30 EFEEHO N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000594439567 478388395 /nfs/dbraw/zinc/38/83/95/478388395.db2.gz XIPSGYQCZZQEOR-ZWKOTPCHSA-N 1 3 334.508 2.512 10 30 EFEEHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](N)CCCCC#N ZINC000594441308 478391077 /nfs/dbraw/zinc/39/10/77/478391077.db2.gz QSOHJZRQCWNULW-GOSISDBHSA-N 1 3 330.476 2.554 10 30 EFEEHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](N)CCCCC#N ZINC000594441308 478391081 /nfs/dbraw/zinc/39/10/81/478391081.db2.gz QSOHJZRQCWNULW-GOSISDBHSA-N 1 3 330.476 2.554 10 30 EFEEHO N#CCCCC[C@@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000594447209 478394069 /nfs/dbraw/zinc/39/40/69/478394069.db2.gz VLUOKPNFLKMNEQ-GOSISDBHSA-N 1 3 334.508 2.512 10 30 EFEEHO CN(C)CCN1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594493915 478410237 /nfs/dbraw/zinc/41/02/37/478410237.db2.gz AVQCSCPWYZNHID-UHFFFAOYSA-N 1 3 328.504 2.603 10 30 EFEEHO CN1CCN(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1(C)C ZINC000594524389 478426174 /nfs/dbraw/zinc/42/61/74/478426174.db2.gz PPBIVSOVPRHRTN-UHFFFAOYSA-N 1 3 328.504 2.603 10 30 EFEEHO N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000600738536 478498360 /nfs/dbraw/zinc/49/83/60/478498360.db2.gz JKOMTMHOEGFAJH-PMACEKPBSA-N 1 3 341.499 2.933 10 30 EFEEHO N#CC1(C[C@H](O)CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000600738536 478498367 /nfs/dbraw/zinc/49/83/67/478498367.db2.gz JKOMTMHOEGFAJH-PMACEKPBSA-N 1 3 341.499 2.933 10 30 EFEEHO N#CC1(C[C@H](O)CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000600738536 478498372 /nfs/dbraw/zinc/49/83/72/478498372.db2.gz JKOMTMHOEGFAJH-PMACEKPBSA-N 1 3 341.499 2.933 10 30 EFEEHO N#CC1(c2ccc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)cc2)CC1 ZINC000594921155 478585860 /nfs/dbraw/zinc/58/58/60/478585860.db2.gz FWDMZWJGQWLVLX-GOSISDBHSA-N 1 3 339.483 2.832 10 30 EFEEHO N#Cc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1F ZINC000594973002 478613251 /nfs/dbraw/zinc/61/32/51/478613251.db2.gz AYXLTYHKYNDTIW-LJQANCHMSA-N 1 3 339.414 2.554 10 30 EFEEHO N#Cc1ccc2c(c1)[C@H](NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000595066862 478648741 /nfs/dbraw/zinc/64/87/41/478648741.db2.gz FXCHJHUOGIHWGG-IFMALSPDSA-N 1 3 347.462 2.902 10 30 EFEEHO N#Cc1ccc2c(c1)[C@H](NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000595066862 478648747 /nfs/dbraw/zinc/64/87/47/478648747.db2.gz FXCHJHUOGIHWGG-IFMALSPDSA-N 1 3 347.462 2.902 10 30 EFEEHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595067644 478649694 /nfs/dbraw/zinc/64/96/94/478649694.db2.gz HQNSROQLRZARFQ-IERDGZPVSA-N 1 3 335.451 2.976 10 30 EFEEHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595067644 478649701 /nfs/dbraw/zinc/64/97/01/478649701.db2.gz HQNSROQLRZARFQ-IERDGZPVSA-N 1 3 335.451 2.976 10 30 EFEEHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(C#N)c1 ZINC000595069879 478649994 /nfs/dbraw/zinc/64/99/94/478649994.db2.gz LWKJMWLAYUOZDB-HRAATJIYSA-N 1 3 335.451 2.976 10 30 EFEEHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(C#N)c1 ZINC000595069879 478650003 /nfs/dbraw/zinc/65/00/03/478650003.db2.gz LWKJMWLAYUOZDB-HRAATJIYSA-N 1 3 335.451 2.976 10 30 EFEEHO C=CC(C)(C)CCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000628313518 479851237 /nfs/dbraw/zinc/85/12/37/479851237.db2.gz RFJXRBFXSBJRBS-UHFFFAOYSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CC[C@]1(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662693793 481936846 /nfs/dbraw/zinc/93/68/46/481936846.db2.gz RAXJZNGGVDLBJY-TZIWHRDSSA-N 1 3 341.499 2.713 10 30 EFEEHO C=CC[C@@]1(C(=O)NCC2CCN(Cc3cccs3)CC2)CCC[NH2+]1 ZINC000662697527 481938233 /nfs/dbraw/zinc/93/82/33/481938233.db2.gz GCHOFUHEYPIFFN-IBGZPJMESA-N 1 3 347.528 2.775 10 30 EFEEHO C=CC[C@]1(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCC[NH2+]1 ZINC000662698217 481940517 /nfs/dbraw/zinc/94/05/17/481940517.db2.gz JTMWWJQIJVGHOD-QFBILLFUSA-N 1 3 347.528 2.775 10 30 EFEEHO CN1CCC(C[NH2+]Cc2ccc(C#N)s2)(N2CCCCC2)CC1 ZINC000176977007 523765383 /nfs/dbraw/zinc/76/53/83/523765383.db2.gz YIQKBXJZCTWEGL-UHFFFAOYSA-N 1 3 332.517 2.660 10 30 EFEEHO N#CC1(c2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)CC1 ZINC000850135894 1250306891 /nfs/dbraw/zinc/30/68/91/1250306891.db2.gz SEDGIXBZNQYFHY-HXUWFJFHSA-N 1 3 339.483 2.975 10 30 EFEEHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691057962 1248319677 /nfs/dbraw/zinc/31/96/77/1248319677.db2.gz FPPHMUZYIFGIMH-VQIMIIECSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001691057962 1248319684 /nfs/dbraw/zinc/31/96/84/1248319684.db2.gz FPPHMUZYIFGIMH-VQIMIIECSA-N 1 3 339.499 2.698 10 30 EFEEHO CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)CN(C)CC(C)(C)C ZINC001484400383 1252538736 /nfs/dbraw/zinc/53/87/36/1252538736.db2.gz SPVZUELQIKEDKF-UHFFFAOYSA-N 1 3 343.515 2.606 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001484414996 1252556148 /nfs/dbraw/zinc/55/61/48/1252556148.db2.gz JSXNPHAVPUGIFZ-INDMIFKZSA-N 1 3 333.520 2.606 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001484414996 1252556158 /nfs/dbraw/zinc/55/61/58/1252556158.db2.gz JSXNPHAVPUGIFZ-INDMIFKZSA-N 1 3 333.520 2.606 10 30 EFEEHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001670960816 1259073820 /nfs/dbraw/zinc/07/38/20/1259073820.db2.gz NMYRLYCGJAAULT-MOPGFXCFSA-N 1 3 345.531 2.587 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](F)CN(CC)CC)C2)C1 ZINC001671038549 1259821105 /nfs/dbraw/zinc/82/11/05/1259821105.db2.gz DTIHHROTLQPARH-HKUYNNGSSA-N 1 3 339.499 2.557 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](F)CN(CC)CC)C2)C1 ZINC001671038549 1259821112 /nfs/dbraw/zinc/82/11/12/1259821112.db2.gz DTIHHROTLQPARH-HKUYNNGSSA-N 1 3 339.499 2.557 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001272817534 1260401672 /nfs/dbraw/zinc/40/16/72/1260401672.db2.gz OVEUYQFSHYZRGF-ZWKOTPCHSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923501893 1261799607 /nfs/dbraw/zinc/79/96/07/1261799607.db2.gz WPGXLJPPGYYGTE-JYJNAYRXSA-N 1 3 335.517 2.568 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC/C=C\CC)C2)CC1 ZINC001486222668 1262827630 /nfs/dbraw/zinc/82/76/30/1262827630.db2.gz ZETJZGDYPAMQRI-CFPAGDMOSA-N 1 3 345.531 2.562 10 30 EFEEHO C[NH+](C)CCCC(=O)N[C@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001486409850 1263029052 /nfs/dbraw/zinc/02/90/52/1263029052.db2.gz HAHGWLQTQZOCJV-LJQANCHMSA-N 1 3 343.515 2.500 10 30 EFEEHO CCCN(C)CC(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001486420874 1263068705 /nfs/dbraw/zinc/06/87/05/1263068705.db2.gz ZUKCCMMEIPIJGQ-LJQANCHMSA-N 1 3 343.515 2.500 10 30 EFEEHO C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001691669911 1266509876 /nfs/dbraw/zinc/50/98/76/1266509876.db2.gz DFYBONRDSQYZEC-MOPGFXCFSA-N 1 3 329.488 2.788 10 30 EFEEHO C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001691669911 1266509882 /nfs/dbraw/zinc/50/98/82/1266509882.db2.gz DFYBONRDSQYZEC-MOPGFXCFSA-N 1 3 329.488 2.788 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001671085318 1281424125 /nfs/dbraw/zinc/42/41/25/1281424125.db2.gz OFQQMARERNFCIM-TZIWHRDSSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001671085318 1281424133 /nfs/dbraw/zinc/42/41/33/1281424133.db2.gz OFQQMARERNFCIM-TZIWHRDSSA-N 1 3 347.547 2.997 10 30 EFEEHO N#Cc1cc(Cl)cc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000903460672 1312715384 /nfs/dbraw/zinc/71/53/84/1312715384.db2.gz HMTMAORTQPWLEO-CGTJXYLNSA-N 1 3 333.863 2.930 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000876738556 1290997652 /nfs/dbraw/zinc/99/76/52/1290997652.db2.gz GSAABRDMORVAKF-ZFWWWQNUSA-N 1 3 341.908 2.546 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876738556 1290997663 /nfs/dbraw/zinc/99/76/63/1290997663.db2.gz GSAABRDMORVAKF-ZFWWWQNUSA-N 1 3 341.908 2.546 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000876768533 1291012774 /nfs/dbraw/zinc/01/27/74/1291012774.db2.gz XBGSGMOZKQHTHV-CPUCHLNUSA-N 1 3 349.906 2.729 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000876768989 1291014895 /nfs/dbraw/zinc/01/48/95/1291014895.db2.gz ORQYONROPLHJFL-HNNXBMFYSA-N 1 3 334.851 2.611 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000876941328 1291080710 /nfs/dbraw/zinc/08/07/10/1291080710.db2.gz KHAWZURYLJXUSG-NVXWUHKLSA-N 1 3 341.927 2.959 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000876941328 1291080719 /nfs/dbraw/zinc/08/07/19/1291080719.db2.gz KHAWZURYLJXUSG-NVXWUHKLSA-N 1 3 341.927 2.959 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000876941327 1291080801 /nfs/dbraw/zinc/08/08/01/1291080801.db2.gz KHAWZURYLJXUSG-DOTOQJQBSA-N 1 3 341.927 2.959 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000876941327 1291080808 /nfs/dbraw/zinc/08/08/08/1291080808.db2.gz KHAWZURYLJXUSG-DOTOQJQBSA-N 1 3 341.927 2.959 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877443540 1291236822 /nfs/dbraw/zinc/23/68/22/1291236822.db2.gz FUUATQBDRRYEQQ-IMJJTQAJSA-N 1 3 327.900 2.603 10 30 EFEEHO C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001273610037 1292357346 /nfs/dbraw/zinc/35/73/46/1292357346.db2.gz HZDGWBOREKQTMU-GOSISDBHSA-N 1 3 327.488 2.603 10 30 EFEEHO C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001276333053 1292836324 /nfs/dbraw/zinc/83/63/24/1292836324.db2.gz DAPIEBYYQHTEAW-PMACEKPBSA-N 1 3 347.547 2.881 10 30 EFEEHO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001276333053 1292836339 /nfs/dbraw/zinc/83/63/39/1292836339.db2.gz DAPIEBYYQHTEAW-PMACEKPBSA-N 1 3 347.547 2.881 10 30 EFEEHO C=CCCC[N@@H+](CC)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001274955984 1296219728 /nfs/dbraw/zinc/21/97/28/1296219728.db2.gz UVJUIZIBPINMHC-GOSISDBHSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCCC[N@H+](CC)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001274955984 1296219734 /nfs/dbraw/zinc/21/97/34/1296219734.db2.gz UVJUIZIBPINMHC-GOSISDBHSA-N 1 3 335.536 2.855 10 30 EFEEHO CC1(C)[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925724802 1296873051 /nfs/dbraw/zinc/87/30/51/1296873051.db2.gz DGEPAMOOVAGCPC-YZGWKJHDSA-N 1 3 338.499 2.893 10 30 EFEEHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC/C=C\CCC)CC1 ZINC001278184091 1313755594 /nfs/dbraw/zinc/75/55/94/1313755594.db2.gz HASVBFYYTMNRKK-SREVYHEPSA-N 1 3 342.487 2.625 10 30 EFEEHO C#CCN(C(=O)c1cccc(CN(C)C)c1)C1CC[NH+](CCC)CC1 ZINC001278200839 1313782155 /nfs/dbraw/zinc/78/21/55/1313782155.db2.gz UWEHYFJKQHCKHA-UHFFFAOYSA-N 1 3 341.499 2.698 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000900415473 1308143900 /nfs/dbraw/zinc/14/39/00/1308143900.db2.gz TVPZEBGDFDFWNE-UHFFFAOYSA-N 1 3 337.895 2.738 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001277473882 1312400370 /nfs/dbraw/zinc/40/03/70/1312400370.db2.gz LNMGAZIUPAKTHW-UYAOXDASSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001277473882 1312400373 /nfs/dbraw/zinc/40/03/73/1312400373.db2.gz LNMGAZIUPAKTHW-UYAOXDASSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001277515995 1312505473 /nfs/dbraw/zinc/50/54/73/1312505473.db2.gz DWLMGWCKGJTFST-XLIONFOSSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001277515995 1312505477 /nfs/dbraw/zinc/50/54/77/1312505477.db2.gz DWLMGWCKGJTFST-XLIONFOSSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CC[NH2+][C@H](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001277587268 1312588882 /nfs/dbraw/zinc/58/88/82/1312588882.db2.gz NFPFORJPARJTPP-CRAIPNDOSA-N 1 3 327.488 2.505 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001264097828 1316589142 /nfs/dbraw/zinc/58/91/42/1316589142.db2.gz YMVHSAPKIZPCPO-HSALFYBXSA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001264097828 1316589146 /nfs/dbraw/zinc/58/91/46/1316589146.db2.gz YMVHSAPKIZPCPO-HSALFYBXSA-N 1 3 347.547 2.996 10 30 EFEEHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001281087947 1316681036 /nfs/dbraw/zinc/68/10/36/1316681036.db2.gz OUHACIAZCAZPDC-OAQYLSRUSA-N 1 3 345.531 2.589 10 30 EFEEHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001281087947 1316681037 /nfs/dbraw/zinc/68/10/37/1316681037.db2.gz OUHACIAZCAZPDC-OAQYLSRUSA-N 1 3 345.531 2.589 10 30 EFEEHO C=CCN1CCC(N(CCC)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001265340832 1316785826 /nfs/dbraw/zinc/78/58/26/1316785826.db2.gz DATUOTYXGCHXLH-MJGOQNOKSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001265523846 1316820055 /nfs/dbraw/zinc/82/00/55/1316820055.db2.gz QGVCAGPUBZWHGU-VQTJNVASSA-N 1 3 347.547 2.835 10 30 EFEEHO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001265523846 1316820058 /nfs/dbraw/zinc/82/00/58/1316820058.db2.gz QGVCAGPUBZWHGU-VQTJNVASSA-N 1 3 347.547 2.835 10 30 EFEEHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1Cl)N(C)C ZINC001266182243 1317128913 /nfs/dbraw/zinc/12/89/13/1317128913.db2.gz DINFPOAIPYJPJL-MAUKXSAKSA-N 1 3 349.906 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@]2(C[NH2+]CCCC)CCCC[C@H]2C)CC1 ZINC001318760729 1328691178 /nfs/dbraw/zinc/69/11/78/1328691178.db2.gz TVNBSKNLNILDLZ-NQIIRXRSSA-N 1 3 347.547 2.786 10 30 EFEEHO C=CCNCc1ccc(CNC(=O)C23CCC[NH+](CCC2)C3)c(F)c1 ZINC001279710335 1317368076 /nfs/dbraw/zinc/36/80/76/1317368076.db2.gz QCZHITPDYUFEBN-UHFFFAOYSA-N 1 3 345.462 2.594 10 30 EFEEHO CC#CCNCc1ccc(CNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001319008344 1328762856 /nfs/dbraw/zinc/76/28/56/1328762856.db2.gz BQXIXURNLAJNEE-UHFFFAOYSA-N 1 3 341.499 2.682 10 30 EFEEHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C ZINC001281747909 1318567805 /nfs/dbraw/zinc/56/78/05/1318567805.db2.gz DIOKTFAUMCZSNA-YJBOKZPZSA-N 1 3 349.906 2.516 10 30 EFEEHO C=C(C)CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001282812689 1319140678 /nfs/dbraw/zinc/14/06/78/1319140678.db2.gz PMTBWXFDMWIFRA-QGZVFWFLSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001319407689 1328876609 /nfs/dbraw/zinc/87/66/09/1328876609.db2.gz LKMXHFBPHDQDCX-UHFFFAOYSA-N 1 3 330.476 2.623 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC/C=C\CC)[C@H]2C)CC1 ZINC001284155750 1320241749 /nfs/dbraw/zinc/24/17/49/1320241749.db2.gz WGFLKZQIHHVOLQ-DDRDIHNTSA-N 1 3 345.531 2.657 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC/C=C\CC)[C@H]2C)CC1 ZINC001284155750 1320241755 /nfs/dbraw/zinc/24/17/55/1320241755.db2.gz WGFLKZQIHHVOLQ-DDRDIHNTSA-N 1 3 345.531 2.657 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC/C=C\CC)[C@@H]2C)CC1 ZINC001284155747 1320241802 /nfs/dbraw/zinc/24/18/02/1320241802.db2.gz WGFLKZQIHHVOLQ-CWHLKURSSA-N 1 3 345.531 2.657 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC/C=C\CC)[C@@H]2C)CC1 ZINC001284155747 1320241809 /nfs/dbraw/zinc/24/18/09/1320241809.db2.gz WGFLKZQIHHVOLQ-CWHLKURSSA-N 1 3 345.531 2.657 10 30 EFEEHO C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001284699621 1320481390 /nfs/dbraw/zinc/48/13/90/1320481390.db2.gz IJUQXBBHSNYRMT-BEFAXECRSA-N 1 3 339.499 2.602 10 30 EFEEHO C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001284723207 1320492675 /nfs/dbraw/zinc/49/26/75/1320492675.db2.gz IJUQXBBHSNYRMT-HNAYVOBHSA-N 1 3 339.499 2.602 10 30 EFEEHO C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)c(F)c1 ZINC001285004653 1320645968 /nfs/dbraw/zinc/64/59/68/1320645968.db2.gz MZXVBQNXMBVSQH-IBGZPJMESA-N 1 3 347.478 2.980 10 30 EFEEHO C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001320184577 1329102132 /nfs/dbraw/zinc/10/21/32/1329102132.db2.gz PVYQKLFLXYXOLD-OALUTQOASA-N 1 3 329.488 2.812 10 30 EFEEHO C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NCC#Cc1ccccc1 ZINC001491612741 1323747578 /nfs/dbraw/zinc/74/75/78/1323747578.db2.gz YTKURIWLWABSSF-GOSISDBHSA-N 1 3 349.478 2.508 10 30 EFEEHO C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001316669900 1324069277 /nfs/dbraw/zinc/06/92/77/1324069277.db2.gz MERNJZJTIPPPTI-QGZVFWFLSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001320549455 1329160579 /nfs/dbraw/zinc/16/05/79/1329160579.db2.gz RXJUSVWFYUNMEW-QAPCUYQASA-N 1 3 327.488 2.650 10 30 EFEEHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C ZINC001320609524 1329176874 /nfs/dbraw/zinc/17/68/74/1329176874.db2.gz UKVJZSOPCTXJTB-CRAIPNDOSA-N 1 3 349.906 2.516 10 30 EFEEHO C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001317884731 1328437974 /nfs/dbraw/zinc/43/79/74/1328437974.db2.gz XRNDLCAOMRPRLP-LJQANCHMSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001317884731 1328437979 /nfs/dbraw/zinc/43/79/79/1328437979.db2.gz XRNDLCAOMRPRLP-LJQANCHMSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001323734144 1329566174 /nfs/dbraw/zinc/56/61/74/1329566174.db2.gz XAUVEKOXTCIAIK-SFHVURJKSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001323734144 1329566177 /nfs/dbraw/zinc/56/61/77/1329566177.db2.gz XAUVEKOXTCIAIK-SFHVURJKSA-N 1 3 347.547 2.997 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CCCN1C(C)C)C1CC[NH+](CCCCC)CC1 ZINC001324387336 1329622980 /nfs/dbraw/zinc/62/29/80/1329622980.db2.gz SWNPAFREFIRPRM-FQEVSTJZSA-N 1 3 347.547 2.976 10 30 EFEEHO C#CCN(C(=O)CN(C)C1CCC1)C1CC[NH+](CC/C=C/CC)CC1 ZINC001324396961 1329623716 /nfs/dbraw/zinc/62/37/16/1329623716.db2.gz KXRBJCIVFLAARS-VOTSOKGWSA-N 1 3 345.531 2.753 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001324976555 1329664857 /nfs/dbraw/zinc/66/48/57/1329664857.db2.gz MRAJQYBMCDEJJS-OAQYLSRUSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](CCC(=C)C)C2)CC1 ZINC001324976555 1329664859 /nfs/dbraw/zinc/66/48/59/1329664859.db2.gz MRAJQYBMCDEJJS-OAQYLSRUSA-N 1 3 345.531 2.516 10 30 EFEEHO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)C2 ZINC001325642480 1329703523 /nfs/dbraw/zinc/70/35/23/1329703523.db2.gz GOHARMPKCGJMCH-FKSLSLAPSA-N 1 3 333.520 2.795 10 30 EFEEHO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)C2 ZINC001325642480 1329703524 /nfs/dbraw/zinc/70/35/24/1329703524.db2.gz GOHARMPKCGJMCH-FKSLSLAPSA-N 1 3 333.520 2.795 10 30 EFEEHO C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001325708588 1329707946 /nfs/dbraw/zinc/70/79/46/1329707946.db2.gz RDFNOXXPYKUYDN-KDURUIRLSA-N 1 3 341.499 2.501 10 30 EFEEHO C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001325946244 1329727077 /nfs/dbraw/zinc/72/70/77/1329727077.db2.gz NIPDICFWHGVPRC-GBESFXJTSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001325946244 1329727078 /nfs/dbraw/zinc/72/70/78/1329727078.db2.gz NIPDICFWHGVPRC-GBESFXJTSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001326482509 1329759923 /nfs/dbraw/zinc/75/99/23/1329759923.db2.gz XJYSZCZMVWQUDU-DLBZAZTESA-N 1 3 329.488 2.871 10 30 EFEEHO C=CCCCCC[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001326598476 1330324954 /nfs/dbraw/zinc/32/49/54/1330324954.db2.gz JORVCUHYIFACPS-IBGZPJMESA-N 1 3 347.547 2.999 10 30 EFEEHO C#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001327505482 1330489746 /nfs/dbraw/zinc/48/97/46/1330489746.db2.gz CSYLRBAJPJUBMU-HXUWFJFHSA-N 1 3 347.547 2.883 10 30 EFEEHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001329110845 1330668462 /nfs/dbraw/zinc/66/84/62/1330668462.db2.gz QHYLCOGYQJDUPZ-JKSUJKDBSA-N 1 3 349.906 2.516 10 30 EFEEHO C=C(C)CN[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001333022202 1331068185 /nfs/dbraw/zinc/06/81/85/1331068185.db2.gz SDWPYJVOHSCMGB-GJZGRUSLSA-N 1 3 349.441 2.663 10 30 EFEEHO C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001373041953 1340883049 /nfs/dbraw/zinc/88/30/49/1340883049.db2.gz YOZCGZDVOBQCDU-NVXWUHKLSA-N 1 3 341.927 2.830 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001374437747 1341921090 /nfs/dbraw/zinc/92/10/90/1341921090.db2.gz DSGNZWXPAHGYFA-HZPDHXFCSA-N 1 3 329.916 2.732 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001374437747 1341921091 /nfs/dbraw/zinc/92/10/91/1341921091.db2.gz DSGNZWXPAHGYFA-HZPDHXFCSA-N 1 3 329.916 2.732 10 30 EFEEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001377846063 1344502913 /nfs/dbraw/zinc/50/29/13/1344502913.db2.gz ADYDWNDIEJPEPK-HZPDHXFCSA-N 1 3 344.503 2.519 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001378368395 1345017511 /nfs/dbraw/zinc/01/75/11/1345017511.db2.gz FSVQVPBVBJSJRQ-HUUCEWRRSA-N 1 3 327.900 2.630 10 30 EFEEHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001380175993 1347550085 /nfs/dbraw/zinc/55/00/85/1347550085.db2.gz QIRJSRBWFWRXFC-JCYILVPMSA-N 1 3 341.927 2.828 10 30 EFEEHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001380798257 1347886148 /nfs/dbraw/zinc/88/61/48/1347886148.db2.gz HOXSPLZNPYOFPB-QAETUUGQSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CNC[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CCCC1 ZINC001393074195 1356563112 /nfs/dbraw/zinc/56/31/12/1356563112.db2.gz UQNNBLLECSGDNL-IRXDYDNUSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CNC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CCCC1 ZINC001393074195 1356563114 /nfs/dbraw/zinc/56/31/14/1356563114.db2.gz UQNNBLLECSGDNL-IRXDYDNUSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001406043519 1367136079 /nfs/dbraw/zinc/13/60/79/1367136079.db2.gz QVAXBTVLFNFGNN-IAGOWNOFSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001406043519 1367136084 /nfs/dbraw/zinc/13/60/84/1367136084.db2.gz QVAXBTVLFNFGNN-IAGOWNOFSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001417837045 1373316764 /nfs/dbraw/zinc/31/67/64/1373316764.db2.gz JBCSVTJFJNSMRA-QGZVFWFLSA-N 1 3 341.927 2.976 10 30 EFEEHO C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001420748630 1377594428 /nfs/dbraw/zinc/59/44/28/1377594428.db2.gz VMOWLNMUTJMZEF-GOEBONIOSA-N 1 3 347.906 2.636 10 30 EFEEHO C=C(Cl)CNC[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001426134129 1384016723 /nfs/dbraw/zinc/01/67/23/1384016723.db2.gz INWQFNNJSMQURB-CVEARBPZSA-N 1 3 343.943 2.980 10 30 EFEEHO C=C(Cl)CNC[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001426134129 1384016730 /nfs/dbraw/zinc/01/67/30/1384016730.db2.gz INWQFNNJSMQURB-CVEARBPZSA-N 1 3 343.943 2.980 10 30 EFEEHO C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC001506869118 1406385622 /nfs/dbraw/zinc/38/56/22/1406385622.db2.gz YQLXULNDUNTLKZ-SESVDKBCSA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC001506869118 1406385628 /nfs/dbraw/zinc/38/56/28/1406385628.db2.gz YQLXULNDUNTLKZ-SESVDKBCSA-N 1 3 347.547 2.996 10 30 EFEEHO C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001448217903 1392025475 /nfs/dbraw/zinc/02/54/75/1392025475.db2.gz PAPZIGHZOOQZSN-GDBMZVCRSA-N 1 3 329.916 2.543 10 30 EFEEHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001479246303 1397638525 /nfs/dbraw/zinc/63/85/25/1397638525.db2.gz MQNWGYVFCMCIFX-QFBILLFUSA-N 1 3 339.499 2.698 10 30 EFEEHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001479246303 1397638527 /nfs/dbraw/zinc/63/85/27/1397638527.db2.gz MQNWGYVFCMCIFX-QFBILLFUSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001480086411 1398122902 /nfs/dbraw/zinc/12/29/02/1398122902.db2.gz XVRIGEYVBDAJNI-LPHOPBHVSA-N 1 3 339.499 2.555 10 30 EFEEHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001480086411 1398122909 /nfs/dbraw/zinc/12/29/09/1398122909.db2.gz XVRIGEYVBDAJNI-LPHOPBHVSA-N 1 3 339.499 2.555 10 30 EFEEHO C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]21 ZINC001507361164 1406952882 /nfs/dbraw/zinc/95/28/82/1406952882.db2.gz AUWPGNAAQQXAKG-OKZBNKHCSA-N 1 3 335.536 2.757 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001493904409 1398969555 /nfs/dbraw/zinc/96/95/55/1398969555.db2.gz HEPNZFDFKGLBSD-MOPGFXCFSA-N 1 3 329.488 2.740 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001494301349 1399267863 /nfs/dbraw/zinc/26/78/63/1399267863.db2.gz AHLONKPPQWWVDC-LJQANCHMSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001494301349 1399267867 /nfs/dbraw/zinc/26/78/67/1399267867.db2.gz AHLONKPPQWWVDC-LJQANCHMSA-N 1 3 347.547 2.739 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001495167129 1399710527 /nfs/dbraw/zinc/71/05/27/1399710527.db2.gz FQDDBTABFKMUNP-HZPDHXFCSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001495167129 1399710529 /nfs/dbraw/zinc/71/05/29/1399710529.db2.gz FQDDBTABFKMUNP-HZPDHXFCSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(C)C[NH2+]C[C@@](C)(NC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001495302710 1399812744 /nfs/dbraw/zinc/81/27/44/1399812744.db2.gz KONXJTXFHJYVEC-HXUWFJFHSA-N 1 3 329.488 2.812 10 30 EFEEHO C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001495742929 1400217053 /nfs/dbraw/zinc/21/70/53/1400217053.db2.gz LDJNZCXWGQMJOG-QAPCUYQASA-N 1 3 327.488 2.507 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001497331634 1401308115 /nfs/dbraw/zinc/30/81/15/1401308115.db2.gz MXXUMXMGFOXJMC-ROUUACIJSA-N 1 3 341.499 2.577 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCCCC)CC1 ZINC001498506569 1402151818 /nfs/dbraw/zinc/15/18/18/1402151818.db2.gz ZFWGMEFWPBQSKC-UXHICEINSA-N 1 3 347.547 2.786 10 30 EFEEHO C=C(C)CC[N@H+](CC1CC1)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001499529880 1402664565 /nfs/dbraw/zinc/66/45/65/1402664565.db2.gz JNXBAKZEZDVORS-UHFFFAOYSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001499529880 1402664568 /nfs/dbraw/zinc/66/45/68/1402664568.db2.gz JNXBAKZEZDVORS-UHFFFAOYSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C1CCCC1 ZINC001500131449 1402950071 /nfs/dbraw/zinc/95/00/71/1402950071.db2.gz ODLBBHUTAKFDJQ-PMACEKPBSA-N 1 3 347.547 2.785 10 30 EFEEHO C=CCCC[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCC1 ZINC001501999664 1403939418 /nfs/dbraw/zinc/93/94/18/1403939418.db2.gz BLCCKUWPLLZDJI-LJQANCHMSA-N 1 3 339.499 2.794 10 30 EFEEHO C=C(Cl)C[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001503764459 1404508364 /nfs/dbraw/zinc/50/83/64/1404508364.db2.gz RCEKIMCMVOETCR-UHFFFAOYSA-N 1 3 341.927 2.784 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001505472609 1404708182 /nfs/dbraw/zinc/70/81/82/1404708182.db2.gz IYPINNRDZRTAAK-RBUKOAKNSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001505472609 1404708185 /nfs/dbraw/zinc/70/81/85/1404708185.db2.gz IYPINNRDZRTAAK-RBUKOAKNSA-N 1 3 335.536 2.853 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]CCCC)CCCCC2)CC1 ZINC001506532749 1405918835 /nfs/dbraw/zinc/91/88/35/1405918835.db2.gz SYHQNJUAMAEOII-UHFFFAOYSA-N 1 3 333.520 2.540 10 30 EFEEHO C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](F)CN(CC)CC)C2)CC1 ZINC001565922788 1415153882 /nfs/dbraw/zinc/15/38/82/1415153882.db2.gz STBTUIPEZKVNRZ-IAGOWNOFSA-N 1 3 339.499 2.555 10 30 EFEEHO C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001565938748 1415457156 /nfs/dbraw/zinc/45/71/56/1415457156.db2.gz LNKLOEWSCHCORZ-HOCLYGCPSA-N 1 3 341.927 2.688 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001566044446 1415492441 /nfs/dbraw/zinc/49/24/41/1415492441.db2.gz LCMIUJRHKCSSGA-MOPGFXCFSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001566044446 1415492443 /nfs/dbraw/zinc/49/24/43/1415492443.db2.gz LCMIUJRHKCSSGA-MOPGFXCFSA-N 1 3 347.547 2.997 10 30 EFEEHO C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001566914209 1415841623 /nfs/dbraw/zinc/84/16/23/1415841623.db2.gz ZDLNLCVTQBMBIM-SFHVURJKSA-N 1 3 329.488 2.766 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001567081877 1415928260 /nfs/dbraw/zinc/92/82/60/1415928260.db2.gz CZGVALJVDNSMAW-PXNSSMCTSA-N 1 3 341.499 2.577 10 30 EFEEHO CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001567263706 1416040278 /nfs/dbraw/zinc/04/02/78/1416040278.db2.gz ZUNIKYWQEYAWKN-OALUTQOASA-N 1 3 333.520 2.633 10 30 EFEEHO CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001567263706 1416040284 /nfs/dbraw/zinc/04/02/84/1416040284.db2.gz ZUNIKYWQEYAWKN-OALUTQOASA-N 1 3 333.520 2.633 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001567409389 1416123342 /nfs/dbraw/zinc/12/33/42/1416123342.db2.gz GWPQKKCLRINRPI-APWZRJJASA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001567409389 1416123343 /nfs/dbraw/zinc/12/33/43/1416123343.db2.gz GWPQKKCLRINRPI-APWZRJJASA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001567664439 1416236948 /nfs/dbraw/zinc/23/69/48/1416236948.db2.gz XRRSCETZBFKTGX-WDSOQIARSA-N 1 3 329.488 2.740 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001567664439 1416236952 /nfs/dbraw/zinc/23/69/52/1416236952.db2.gz XRRSCETZBFKTGX-WDSOQIARSA-N 1 3 329.488 2.740 10 30 EFEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001567861854 1416302053 /nfs/dbraw/zinc/30/20/53/1416302053.db2.gz FDSTYWOBOPSQSM-OALUTQOASA-N 1 3 327.472 2.613 10 30 EFEEHO C=CCOCCCC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001567888305 1416310038 /nfs/dbraw/zinc/31/00/38/1416310038.db2.gz JICYNCOWYXXUCR-HUUCEWRRSA-N 1 3 330.419 2.595 10 30 EFEEHO C=CCOCCCC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001567888305 1416310041 /nfs/dbraw/zinc/31/00/41/1416310041.db2.gz JICYNCOWYXXUCR-HUUCEWRRSA-N 1 3 330.419 2.595 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CCC(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001568131836 1416421722 /nfs/dbraw/zinc/42/17/22/1416421722.db2.gz XGVAXNFLJXHUHK-HNNXBMFYSA-N 1 3 332.492 2.834 10 30 EFEEHO C=C(Cl)C[NH2+]CCN(CC)C(=O)C1COc2cc(F)ccc2C1 ZINC001568742240 1416545711 /nfs/dbraw/zinc/54/57/11/1416545711.db2.gz ODSXCFQDLJNIAO-AWEZNQCLSA-N 1 3 340.826 2.567 10 30 EFEEHO CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001692376390 1417282981 /nfs/dbraw/zinc/28/29/81/1417282981.db2.gz MAYVYTFAHTVHBR-OALUTQOASA-N 1 3 335.536 2.974 10 30 EFEEHO C=C(C)CC[NH2+]C[C@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@@H]1C ZINC001698662409 1417309251 /nfs/dbraw/zinc/30/92/51/1417309251.db2.gz MFBJVPVGZZRJLZ-HNAYVOBHSA-N 1 3 332.492 2.882 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@H](C[NH2+]CCCC)CC2)CC1 ZINC001699981443 1417536144 /nfs/dbraw/zinc/53/61/44/1417536144.db2.gz ICXZWIMBXDTMPZ-WGSAOQKQSA-N 1 3 347.547 2.644 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001700089852 1417562195 /nfs/dbraw/zinc/56/21/95/1417562195.db2.gz CKYLROYQNNUEJI-UXHICEINSA-N 1 3 341.499 2.938 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001700089852 1417562198 /nfs/dbraw/zinc/56/21/98/1417562198.db2.gz CKYLROYQNNUEJI-UXHICEINSA-N 1 3 341.499 2.938 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001700089849 1417562268 /nfs/dbraw/zinc/56/22/68/1417562268.db2.gz CKYLROYQNNUEJI-PMACEKPBSA-N 1 3 341.499 2.938 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001700089849 1417562273 /nfs/dbraw/zinc/56/22/73/1417562273.db2.gz CKYLROYQNNUEJI-PMACEKPBSA-N 1 3 341.499 2.938 10 30 EFEEHO C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C(C)C ZINC001707189557 1418227777 /nfs/dbraw/zinc/22/77/77/1418227777.db2.gz ULFHWNTVFQTSSW-NZSAHSFTSA-N 1 3 335.536 2.898 10 30 EFEEHO C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C(C)C ZINC001707189557 1418227788 /nfs/dbraw/zinc/22/77/88/1418227788.db2.gz ULFHWNTVFQTSSW-NZSAHSFTSA-N 1 3 335.536 2.898 10 30 EFEEHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713144597 1418335839 /nfs/dbraw/zinc/33/58/39/1418335839.db2.gz UZEGCQDHYWPVDL-ZSYWTGECSA-N 1 3 333.520 2.748 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001713282948 1418452248 /nfs/dbraw/zinc/45/22/48/1418452248.db2.gz QFJYWFQWVSIWCF-LFDJNIOPSA-N 1 3 333.520 2.652 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001713282948 1418452250 /nfs/dbraw/zinc/45/22/50/1418452250.db2.gz QFJYWFQWVSIWCF-LFDJNIOPSA-N 1 3 333.520 2.652 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001713282949 1418452416 /nfs/dbraw/zinc/45/24/16/1418452416.db2.gz QFJYWFQWVSIWCF-LTFXXXRZSA-N 1 3 333.520 2.652 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001713282949 1418452418 /nfs/dbraw/zinc/45/24/18/1418452418.db2.gz QFJYWFQWVSIWCF-LTFXXXRZSA-N 1 3 333.520 2.652 10 30 EFEEHO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001713762489 1418574580 /nfs/dbraw/zinc/57/45/80/1418574580.db2.gz WZMJHWFRCLLOPT-GOSISDBHSA-N 1 3 329.488 2.718 10 30 EFEEHO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001713762489 1418574581 /nfs/dbraw/zinc/57/45/81/1418574581.db2.gz WZMJHWFRCLLOPT-GOSISDBHSA-N 1 3 329.488 2.718 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001716706519 1418965429 /nfs/dbraw/zinc/96/54/29/1418965429.db2.gz QSJLEAKWFZGOQD-OALUTQOASA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001716706519 1418965432 /nfs/dbraw/zinc/96/54/32/1418965432.db2.gz QSJLEAKWFZGOQD-OALUTQOASA-N 1 3 335.536 2.997 10 30 EFEEHO CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCCN1C(C)C ZINC001716708457 1418966640 /nfs/dbraw/zinc/96/66/40/1418966640.db2.gz GEYIMFYSAYJTII-RAFMOHDBSA-N 1 3 345.531 2.774 10 30 EFEEHO C#CCNC[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001716812884 1419025981 /nfs/dbraw/zinc/02/59/81/1419025981.db2.gz UKDCUQSFGUSYHZ-DYESRHJHSA-N 1 3 349.478 2.562 10 30 EFEEHO C#CCNC[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001716812884 1419025984 /nfs/dbraw/zinc/02/59/84/1419025984.db2.gz UKDCUQSFGUSYHZ-DYESRHJHSA-N 1 3 349.478 2.562 10 30 EFEEHO C=CC[NH2+]CCN(Cc1ccccc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001717006341 1419142388 /nfs/dbraw/zinc/14/23/88/1419142388.db2.gz LBZGSKXLZQFFKQ-ROUUACIJSA-N 1 3 329.488 2.664 10 30 EFEEHO CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001717036508 1419169543 /nfs/dbraw/zinc/16/95/43/1419169543.db2.gz URKWCMLTFACUSO-UXHICEINSA-N 1 3 345.531 2.730 10 30 EFEEHO CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001717036508 1419169546 /nfs/dbraw/zinc/16/95/46/1419169546.db2.gz URKWCMLTFACUSO-UXHICEINSA-N 1 3 345.531 2.730 10 30 EFEEHO C=CCC[N@H+]1CCc2c(CNC(=O)C3(N(C)C)CCC3)cccc2C1 ZINC001717143467 1419235087 /nfs/dbraw/zinc/23/50/87/1419235087.db2.gz KFGDRBMZLOSEIV-UHFFFAOYSA-N 1 3 341.499 2.721 10 30 EFEEHO C=CCC[N@@H+]1CCc2c(CNC(=O)C3(N(C)C)CCC3)cccc2C1 ZINC001717143467 1419235089 /nfs/dbraw/zinc/23/50/89/1419235089.db2.gz KFGDRBMZLOSEIV-UHFFFAOYSA-N 1 3 341.499 2.721 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC=C)CC2(C)C)CC1 ZINC001717313399 1419324160 /nfs/dbraw/zinc/32/41/60/1419324160.db2.gz SSEYSSWCRLKMQZ-IBGZPJMESA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCC=C)CC2(C)C)CC1 ZINC001717313399 1419324162 /nfs/dbraw/zinc/32/41/62/1419324162.db2.gz SSEYSSWCRLKMQZ-IBGZPJMESA-N 1 3 345.531 2.515 10 30 EFEEHO C=CC[NH2+]CC1(c2ccccc2)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001717316275 1419326551 /nfs/dbraw/zinc/32/65/51/1419326551.db2.gz USGGUCHOPSIJFJ-UHFFFAOYSA-N 1 3 343.515 2.663 10 30 EFEEHO C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001717377464 1419368891 /nfs/dbraw/zinc/36/88/91/1419368891.db2.gz CDSUGAXJZPSLJI-VQTJNVASSA-N 1 3 347.547 2.692 10 30 EFEEHO C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001717377464 1419368893 /nfs/dbraw/zinc/36/88/93/1419368893.db2.gz CDSUGAXJZPSLJI-VQTJNVASSA-N 1 3 347.547 2.692 10 30 EFEEHO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001717625097 1419474450 /nfs/dbraw/zinc/47/44/50/1419474450.db2.gz WMBQLSOZWDREEH-KSZLIROESA-N 1 3 335.536 2.757 10 30 EFEEHO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001717625097 1419474451 /nfs/dbraw/zinc/47/44/51/1419474451.db2.gz WMBQLSOZWDREEH-KSZLIROESA-N 1 3 335.536 2.757 10 30 EFEEHO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001717625099 1419474641 /nfs/dbraw/zinc/47/46/41/1419474641.db2.gz WMBQLSOZWDREEH-RCCFBDPRSA-N 1 3 335.536 2.757 10 30 EFEEHO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001717625099 1419474644 /nfs/dbraw/zinc/47/46/44/1419474644.db2.gz WMBQLSOZWDREEH-RCCFBDPRSA-N 1 3 335.536 2.757 10 30 EFEEHO CC#CCNC[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717734394 1419530129 /nfs/dbraw/zinc/53/01/29/1419530129.db2.gz CRKUSINXNVOOPM-WOJBJXKFSA-N 1 3 345.531 2.633 10 30 EFEEHO CC#CCNC[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001717734394 1419530132 /nfs/dbraw/zinc/53/01/32/1419530132.db2.gz CRKUSINXNVOOPM-WOJBJXKFSA-N 1 3 345.531 2.633 10 30 EFEEHO C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]21 ZINC001717848880 1419577185 /nfs/dbraw/zinc/57/71/85/1419577185.db2.gz KNCNIAYYBKWTNH-GBESFXJTSA-N 1 3 333.520 2.511 10 30 EFEEHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C(F)(F)F ZINC001717909510 1419615264 /nfs/dbraw/zinc/61/52/64/1419615264.db2.gz RRBDTXKRSBDVOP-HUUCEWRRSA-N 1 3 349.441 2.521 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C(F)(F)F ZINC001717987255 1419644296 /nfs/dbraw/zinc/64/42/96/1419644296.db2.gz RRJFUGBKDWYSQG-HUUCEWRRSA-N 1 3 349.441 2.662 10 30 EFEEHO CC#CCN1CCC2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001723699299 1424561831 /nfs/dbraw/zinc/56/18/31/1424561831.db2.gz IEOGWBKURZOQOE-UHFFFAOYSA-N 1 3 345.531 2.590 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C)CC[NH+](CCCC(C)C)CC2)CC1 ZINC001724026420 1424626171 /nfs/dbraw/zinc/62/61/71/1424626171.db2.gz SGZMTYQAFYPHPB-UHFFFAOYSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001724057849 1424639661 /nfs/dbraw/zinc/63/96/61/1424639661.db2.gz ABDXYXATJUXDJD-SFHVURJKSA-N 1 3 335.536 2.689 10 30 EFEEHO C#CCC[NH2+]C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1CCCC1 ZINC001724110824 1424661352 /nfs/dbraw/zinc/66/13/52/1424661352.db2.gz WPMVOEXUBSYSAG-FQEVSTJZSA-N 1 3 341.499 2.650 10 30 EFEEHO C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001724626605 1424851889 /nfs/dbraw/zinc/85/18/89/1424851889.db2.gz HVSZLXQXZQRVFU-ZCNNSNEGSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001724626605 1424851893 /nfs/dbraw/zinc/85/18/93/1424851893.db2.gz HVSZLXQXZQRVFU-ZCNNSNEGSA-N 1 3 347.547 2.997 10 30 EFEEHO C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001724737586 1424962637 /nfs/dbraw/zinc/96/26/37/1424962637.db2.gz QHTYKVIKFPATGO-FQEVSTJZSA-N 1 3 341.499 2.653 10 30 EFEEHO C=C(C)CN1CCc2c(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001724776181 1425003377 /nfs/dbraw/zinc/00/33/77/1425003377.db2.gz HNVBYKLTNNXIAY-KRWDZBQOSA-N 1 3 341.499 2.579 10 30 EFEEHO C=C(C)CN1CCc2c(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cccc2C1 ZINC001724776181 1425003385 /nfs/dbraw/zinc/00/33/85/1425003385.db2.gz HNVBYKLTNNXIAY-KRWDZBQOSA-N 1 3 341.499 2.579 10 30 EFEEHO C=C(C)C[N@H+]1CCc2c(CNC(=O)CN3CC[C@H](C)C3)cccc2C1 ZINC001724777147 1425004529 /nfs/dbraw/zinc/00/45/29/1425004529.db2.gz NSWRBEBACMQLGL-KRWDZBQOSA-N 1 3 341.499 2.579 10 30 EFEEHO C=C(C)C[N@@H+]1CCc2c(CNC(=O)CN3CC[C@H](C)C3)cccc2C1 ZINC001724777147 1425004537 /nfs/dbraw/zinc/00/45/37/1425004537.db2.gz NSWRBEBACMQLGL-KRWDZBQOSA-N 1 3 341.499 2.579 10 30 EFEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CCCC(C)(C)C)CCC2)CC1 ZINC001724800052 1425022398 /nfs/dbraw/zinc/02/23/98/1425022398.db2.gz KHJSANZJUCMOHL-UHFFFAOYSA-N 1 3 347.547 2.786 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC/C=C\CC)C(C)(C)C)CC1 ZINC001725758364 1425824907 /nfs/dbraw/zinc/82/49/07/1425824907.db2.gz RWZMFSHTSOENOR-QWUACUGRSA-N 1 3 347.547 2.808 10 30 EFEEHO C=CCNCc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC001725832879 1425899976 /nfs/dbraw/zinc/89/99/76/1425899976.db2.gz HISDIASVKNXELU-FUHWJXTLSA-N 1 3 347.478 2.838 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000907379546 726932097 /nfs/dbraw/zinc/93/20/97/726932097.db2.gz VFNHSMMYUJWRKQ-LJQANCHMSA-N 1 3 329.488 2.617 10 30 EFEEHO CC#CCN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092261 728399107 /nfs/dbraw/zinc/39/91/07/728399107.db2.gz CKKWQXOREVIFSJ-IBGZPJMESA-N 1 3 341.499 2.602 10 30 EFEEHO C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001569451648 1085237142 /nfs/dbraw/zinc/23/71/42/1085237142.db2.gz FNQALEYQDRSIKN-LJQANCHMSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001569451648 1085237154 /nfs/dbraw/zinc/23/71/54/1085237154.db2.gz FNQALEYQDRSIKN-LJQANCHMSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001569621055 1085447595 /nfs/dbraw/zinc/44/75/95/1085447595.db2.gz ACMQGBBGFQBBHP-AZUAARDMSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001569621055 1085447601 /nfs/dbraw/zinc/44/76/01/1085447601.db2.gz ACMQGBBGFQBBHP-AZUAARDMSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@H+]1CC[C@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001569648582 1085481934 /nfs/dbraw/zinc/48/19/34/1085481934.db2.gz WXJUMUDXASMEJZ-OALUTQOASA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001569648582 1085481941 /nfs/dbraw/zinc/48/19/41/1085481941.db2.gz WXJUMUDXASMEJZ-OALUTQOASA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001569655849 1085490199 /nfs/dbraw/zinc/49/01/99/1085490199.db2.gz XTDDLMHINQZHPN-HXUWFJFHSA-N 1 3 329.488 2.909 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001569655849 1085490205 /nfs/dbraw/zinc/49/02/05/1085490205.db2.gz XTDDLMHINQZHPN-HXUWFJFHSA-N 1 3 329.488 2.909 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001569989115 1085826351 /nfs/dbraw/zinc/82/63/51/1085826351.db2.gz YPZWJZKYGKRYJZ-SJORKVTESA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001569989115 1085826358 /nfs/dbraw/zinc/82/63/58/1085826358.db2.gz YPZWJZKYGKRYJZ-SJORKVTESA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001570021855 1085869360 /nfs/dbraw/zinc/86/93/60/1085869360.db2.gz JWZPMBWHUZXSJQ-MRXNPFEDSA-N 1 3 349.906 2.943 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001570220918 1086062642 /nfs/dbraw/zinc/06/26/42/1086062642.db2.gz YETZARFGXYBJTH-MOPGFXCFSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001570220918 1086062651 /nfs/dbraw/zinc/06/26/51/1086062651.db2.gz YETZARFGXYBJTH-MOPGFXCFSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCCC[N@H+]1Cc2ccc(CNC(=O)[C@H](CC)N(C)C)cc2C1 ZINC001570314064 1086143862 /nfs/dbraw/zinc/14/38/62/1086143862.db2.gz VZRJBUPPVWZBCC-IBGZPJMESA-N 1 3 329.488 2.925 10 30 EFEEHO C=CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H](CC)N(C)C)cc2C1 ZINC001570314064 1086143868 /nfs/dbraw/zinc/14/38/68/1086143868.db2.gz VZRJBUPPVWZBCC-IBGZPJMESA-N 1 3 329.488 2.925 10 30 EFEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001570540446 1086334384 /nfs/dbraw/zinc/33/43/84/1086334384.db2.gz ONUAUSLNRIXSOY-IBGZPJMESA-N 1 3 329.488 2.513 10 30 EFEEHO C=CCN(C)C[C@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001570540447 1086336148 /nfs/dbraw/zinc/33/61/48/1086336148.db2.gz ONUAUSLNRIXSOY-LJQANCHMSA-N 1 3 329.488 2.513 10 30 EFEEHO C#CCNC[C@H](CCCC)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001570812344 1086532970 /nfs/dbraw/zinc/53/29/70/1086532970.db2.gz PUOHCNHPYMMTRM-HKUYNNGSSA-N 1 3 333.520 2.681 10 30 EFEEHO C#CCNC[C@H](CCCC)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001570812344 1086532975 /nfs/dbraw/zinc/53/29/75/1086532975.db2.gz PUOHCNHPYMMTRM-HKUYNNGSSA-N 1 3 333.520 2.681 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001570923770 1086614990 /nfs/dbraw/zinc/61/49/90/1086614990.db2.gz FJEGSHPKSYWRHK-NNZMDNLPSA-N 1 3 333.520 2.511 10 30 EFEEHO C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001570923770 1086614997 /nfs/dbraw/zinc/61/49/97/1086614997.db2.gz FJEGSHPKSYWRHK-NNZMDNLPSA-N 1 3 333.520 2.511 10 30 EFEEHO C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC001571060241 1086658040 /nfs/dbraw/zinc/65/80/40/1086658040.db2.gz VVWDXIGYUQFUQL-KDURUIRLSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC001571060241 1086658042 /nfs/dbraw/zinc/65/80/42/1086658042.db2.gz VVWDXIGYUQFUQL-KDURUIRLSA-N 1 3 333.520 2.607 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC001571508769 1086914632 /nfs/dbraw/zinc/91/46/32/1086914632.db2.gz JMITZNMWZLEGKS-KZNAEPCWSA-N 1 3 333.520 2.654 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]21 ZINC001571510481 1086915744 /nfs/dbraw/zinc/91/57/44/1086915744.db2.gz FDACSXOOMMBHOS-SLFFLAALSA-N 1 3 347.547 2.901 10 30 EFEEHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267058984 1092498228 /nfs/dbraw/zinc/49/82/28/1092498228.db2.gz XFJFUGJWTMPXFJ-APWZRJJASA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267058985 1092499012 /nfs/dbraw/zinc/49/90/12/1092499012.db2.gz XFJFUGJWTMPXFJ-LPHOPBHVSA-N 1 3 339.499 2.603 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)CCC[NH2+]CC2CCCCC2)CC1 ZINC001649469251 1092508959 /nfs/dbraw/zinc/50/89/59/1092508959.db2.gz FHRLYHILHKRAAL-SFHVURJKSA-N 1 3 347.547 2.786 10 30 EFEEHO C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001267200343 1093173596 /nfs/dbraw/zinc/17/35/96/1093173596.db2.gz BTQHMVUXQQZIFN-HNAYVOBHSA-N 1 3 339.499 2.602 10 30 EFEEHO C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCCN1CC)c1ccccc1 ZINC001267382854 1094428931 /nfs/dbraw/zinc/42/89/31/1094428931.db2.gz VJOIQFJEUYUTCN-MOPGFXCFSA-N 1 3 329.488 2.884 10 30 EFEEHO C=C(C)CN1CC2(C1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC001268048126 1094943436 /nfs/dbraw/zinc/94/34/36/1094943436.db2.gz NQPODFJZSWLIQQ-UHFFFAOYSA-N 1 3 333.520 2.753 10 30 EFEEHO C#CC[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1CCCCC1 ZINC001268121433 1095413240 /nfs/dbraw/zinc/41/32/40/1095413240.db2.gz ACMYUBXEFMNZEZ-HKUYNNGSSA-N 1 3 333.520 2.539 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]CCC2CCCCC2)CC1 ZINC001268425447 1096577466 /nfs/dbraw/zinc/57/74/66/1096577466.db2.gz FWTISNLDZYGZRJ-SFHVURJKSA-N 1 3 347.547 2.786 10 30 EFEEHO C=C(C)C[NH2+]CC1(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC001481903878 1096896785 /nfs/dbraw/zinc/89/67/85/1096896785.db2.gz LIUHEFTVGRKRAC-IBGZPJMESA-N 1 3 339.499 2.794 10 30 EFEEHO C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001481938543 1096968270 /nfs/dbraw/zinc/96/82/70/1096968270.db2.gz BXWNQTFFPARSAD-QAPCUYQASA-N 1 3 341.927 2.735 10 30 EFEEHO C=C(Cl)CNC[C@](C)(NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001481938543 1096968276 /nfs/dbraw/zinc/96/82/76/1096968276.db2.gz BXWNQTFFPARSAD-QAPCUYQASA-N 1 3 341.927 2.735 10 30 EFEEHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001482034383 1097133464 /nfs/dbraw/zinc/13/34/64/1097133464.db2.gz LGHSTONUOIBFGC-UHFFFAOYSA-N 1 3 331.504 2.946 10 30 EFEEHO CC#CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001482035002 1097135014 /nfs/dbraw/zinc/13/50/14/1097135014.db2.gz KBRGRXZMYCPJMI-WOJBJXKFSA-N 1 3 341.499 2.536 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001482235502 1098315758 /nfs/dbraw/zinc/31/57/58/1098315758.db2.gz IDJDITFJTNYDAD-JKSUJKDBSA-N 1 3 341.927 2.878 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@](C)(C[NH2+]CCC(C)(C)C)C2CC2)CC1 ZINC001269651075 1098331933 /nfs/dbraw/zinc/33/19/33/1098331933.db2.gz BOJDVJUMIOXHIX-NRFANRHFSA-N 1 3 347.547 2.642 10 30 EFEEHO C#CCN1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCCCC)CC1 ZINC001269681859 1098360915 /nfs/dbraw/zinc/36/09/15/1098360915.db2.gz VDQMVCFOYIRLCM-BGYRXZFFSA-N 1 3 345.531 2.587 10 30 EFEEHO C#CCN1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCCCC)CC1 ZINC001269681859 1098360921 /nfs/dbraw/zinc/36/09/21/1098360921.db2.gz VDQMVCFOYIRLCM-BGYRXZFFSA-N 1 3 345.531 2.587 10 30 EFEEHO C#CCC[NH+]1CCC2(CCN(C(=O)CN(C)CCCCCC)C2)CC1 ZINC001269713488 1098389291 /nfs/dbraw/zinc/38/92/91/1098389291.db2.gz CPDUFMGITNOQLZ-UHFFFAOYSA-N 1 3 347.547 2.836 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001269766581 1098432532 /nfs/dbraw/zinc/43/25/32/1098432532.db2.gz WZFLKGWQRIITJG-INIZCTEOSA-N 1 3 343.943 2.935 10 30 EFEEHO C=CCCC[NH+]1CC2(C1)CCN(C(=O)CN(C)CC(C)(C)C)CC2 ZINC001482244922 1098465299 /nfs/dbraw/zinc/46/52/99/1098465299.db2.gz LXTOSDZNULYVCC-UHFFFAOYSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)CN1CC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001482246183 1098477082 /nfs/dbraw/zinc/47/70/82/1098477082.db2.gz GCENAVDFTVNUFX-UHFFFAOYSA-N 1 3 333.520 2.753 10 30 EFEEHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC001267940109 1098757387 /nfs/dbraw/zinc/75/73/87/1098757387.db2.gz DESSGPAWNRCCDW-CALCHBBNSA-N 1 3 329.488 2.841 10 30 EFEEHO C=C(C)C[NH+]1CCC(C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001270249670 1098862455 /nfs/dbraw/zinc/86/24/55/1098862455.db2.gz VVMWRNZRYBMQIT-IBGZPJMESA-N 1 3 339.499 2.746 10 30 EFEEHO C#CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CCN(CC(=C)C)CC1 ZINC001270321684 1098955873 /nfs/dbraw/zinc/95/58/73/1098955873.db2.gz ZENFGSLDNQVKAO-AZUAARDMSA-N 1 3 343.515 2.506 10 30 EFEEHO C#CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CCN(CC(=C)C)CC1 ZINC001270321684 1098955876 /nfs/dbraw/zinc/95/58/76/1098955876.db2.gz ZENFGSLDNQVKAO-AZUAARDMSA-N 1 3 343.515 2.506 10 30 EFEEHO C#CCN(C(=O)CN(C)CC(C)(C)C)C1CC[NH+](CC(C)C)CC1 ZINC001270346052 1098988343 /nfs/dbraw/zinc/98/83/43/1098988343.db2.gz XVASALUHHCSGQK-UHFFFAOYSA-N 1 3 335.536 2.547 10 30 EFEEHO C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001267974245 1099035652 /nfs/dbraw/zinc/03/56/52/1099035652.db2.gz RGQVBOZKOYUKRN-UHFFFAOYSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001267974245 1099035662 /nfs/dbraw/zinc/03/56/62/1099035662.db2.gz RGQVBOZKOYUKRN-UHFFFAOYSA-N 1 3 347.547 2.999 10 30 EFEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CCCC1 ZINC001270443377 1099094069 /nfs/dbraw/zinc/09/40/69/1099094069.db2.gz SKROWSHJFZDMQK-RTBURBONSA-N 1 3 333.520 2.537 10 30 EFEEHO C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC001481365907 1099484369 /nfs/dbraw/zinc/48/43/69/1099484369.db2.gz BVUXFMGYBAQXFE-RTBURBONSA-N 1 3 329.488 2.882 10 30 EFEEHO C=C(C)CC[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001481370465 1099501612 /nfs/dbraw/zinc/50/16/12/1099501612.db2.gz FRBYSQWPEQSJRX-PKOBYXMFSA-N 1 3 329.488 2.742 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]CC3CCCC3)CCCC2)CC1 ZINC001267846223 1099615540 /nfs/dbraw/zinc/61/55/40/1099615540.db2.gz AMFIMMHNSBAWIV-UHFFFAOYSA-N 1 3 345.531 2.540 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001267896994 1099929084 /nfs/dbraw/zinc/92/90/84/1099929084.db2.gz UOOASQZTIJEZFY-KRWDZBQOSA-N 1 3 341.927 2.689 10 30 EFEEHO CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001267900779 1099963371 /nfs/dbraw/zinc/96/33/71/1099963371.db2.gz NLKIHULYPVTRKW-SFHVURJKSA-N 1 3 341.499 2.603 10 30 EFEEHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001271017714 1100381689 /nfs/dbraw/zinc/38/16/89/1100381689.db2.gz VFEGVWZZDDBEIZ-CTNGQTDRSA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCN(C)CCN(CC)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC001640019855 1101005176 /nfs/dbraw/zinc/00/51/76/1101005176.db2.gz LMIZZYHKKQDDRI-UHFFFAOYSA-N 1 3 329.488 2.862 10 30 EFEEHO C=C(C)CC[NH2+][C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001266431227 1102034646 /nfs/dbraw/zinc/03/46/46/1102034646.db2.gz LVVWHORDGYQHNU-LPHOPBHVSA-N 1 3 339.499 2.650 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001266760281 1102141681 /nfs/dbraw/zinc/14/16/81/1102141681.db2.gz BIFRMHGMQTYJBQ-QFBILLFUSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001266760281 1102141687 /nfs/dbraw/zinc/14/16/87/1102141687.db2.gz BIFRMHGMQTYJBQ-QFBILLFUSA-N 1 3 339.499 2.603 10 30 EFEEHO CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001271609888 1102168748 /nfs/dbraw/zinc/16/87/48/1102168748.db2.gz TWPQPSRFPDPZAS-FQEVSTJZSA-N 1 3 341.499 2.746 10 30 EFEEHO C#CCCN1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1CC ZINC001656719976 1102182944 /nfs/dbraw/zinc/18/29/44/1102182944.db2.gz GRRVGVHCTSZBJX-ZWKOTPCHSA-N 1 3 333.520 2.632 10 30 EFEEHO C#CCCN1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1CC ZINC001656719976 1102182953 /nfs/dbraw/zinc/18/29/53/1102182953.db2.gz GRRVGVHCTSZBJX-ZWKOTPCHSA-N 1 3 333.520 2.632 10 30 EFEEHO C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271663792 1102225756 /nfs/dbraw/zinc/22/57/56/1102225756.db2.gz AZEXAOKUXYQKBK-RTBURBONSA-N 1 3 335.536 2.901 10 30 EFEEHO C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001271678367 1102242355 /nfs/dbraw/zinc/24/23/55/1102242355.db2.gz QOZXKSHJDKNRMA-YLJYHZDGSA-N 1 3 341.499 2.602 10 30 EFEEHO C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001657075787 1102309401 /nfs/dbraw/zinc/30/94/01/1102309401.db2.gz GNQWRQSLJRWLRB-IBGZPJMESA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001657075787 1102309417 /nfs/dbraw/zinc/30/94/17/1102309417.db2.gz GNQWRQSLJRWLRB-IBGZPJMESA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001271766331 1102628881 /nfs/dbraw/zinc/62/88/81/1102628881.db2.gz MWAUTUSEWYIAPV-HKUYNNGSSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001271766331 1102628888 /nfs/dbraw/zinc/62/88/88/1102628888.db2.gz MWAUTUSEWYIAPV-HKUYNNGSSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CC[NH2+][C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001271900770 1103006408 /nfs/dbraw/zinc/00/64/08/1103006408.db2.gz KJWOGXLKKLEQLC-APWZRJJASA-N 1 3 341.515 2.896 10 30 EFEEHO C=CCCC[NH2+][C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001661168620 1103155566 /nfs/dbraw/zinc/15/55/66/1103155566.db2.gz PXRLRRZRKYSDRU-VQIMIIECSA-N 1 3 339.499 2.650 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001482571366 1103693795 /nfs/dbraw/zinc/69/37/95/1103693795.db2.gz LNVGXPDKTMXXIO-IRXDYDNUSA-N 1 3 343.943 2.980 10 30 EFEEHO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001664185720 1104309742 /nfs/dbraw/zinc/30/97/42/1104309742.db2.gz ABQMEZVCKCTICZ-YJBOKZPZSA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001482628299 1104687857 /nfs/dbraw/zinc/68/78/57/1104687857.db2.gz MMBXCIDOYPPLJK-APWZRJJASA-N 1 3 341.515 2.944 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001482628299 1104687859 /nfs/dbraw/zinc/68/78/59/1104687859.db2.gz MMBXCIDOYPPLJK-APWZRJJASA-N 1 3 341.515 2.944 10 30 EFEEHO CC[C@@H](CNC(=O)CCC[NH+](C)C)NCC#Cc1ccccc1Cl ZINC001665832908 1104790852 /nfs/dbraw/zinc/79/08/52/1104790852.db2.gz AAXUAZVVKRMWJY-KRWDZBQOSA-N 1 3 349.906 2.518 10 30 EFEEHO C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001665844390 1104793374 /nfs/dbraw/zinc/79/33/74/1104793374.db2.gz JANKTNMKKFZKSD-MAUKXSAKSA-N 1 3 327.488 2.650 10 30 EFEEHO C#CC[NH2+]C[C@@]1(NC(=O)c2cccc(CN(C)C)c2)CCCC[C@H]1C ZINC001666067020 1104847558 /nfs/dbraw/zinc/84/75/58/1104847558.db2.gz BFMJCZQYAQFEMW-UTKZUKDTSA-N 1 3 341.499 2.650 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC2CC[NH+](C[C@@H](C)CC)CC2)CC1 ZINC001666389980 1104938450 /nfs/dbraw/zinc/93/84/50/1104938450.db2.gz STCLDDFGWOFEKR-SFHVURJKSA-N 1 3 347.547 2.596 10 30 EFEEHO C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001667413023 1105142973 /nfs/dbraw/zinc/14/29/73/1105142973.db2.gz IUXLRPHTGFQMCU-UHFFFAOYSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[N@H+](C)CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001667413023 1105142976 /nfs/dbraw/zinc/14/29/76/1105142976.db2.gz IUXLRPHTGFQMCU-UHFFFAOYSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001667426791 1105146133 /nfs/dbraw/zinc/14/61/33/1105146133.db2.gz YWLYVBQRZIGSMT-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001667426791 1105146135 /nfs/dbraw/zinc/14/61/35/1105146135.db2.gz YWLYVBQRZIGSMT-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001671916405 1105729713 /nfs/dbraw/zinc/72/97/13/1105729713.db2.gz KYMJXTRRPZHFOD-HNAYVOBHSA-N 1 3 332.492 2.834 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001671916405 1105729717 /nfs/dbraw/zinc/72/97/17/1105729717.db2.gz KYMJXTRRPZHFOD-HNAYVOBHSA-N 1 3 332.492 2.834 10 30 EFEEHO C#CCC[N@H+]1CCC[C@](C)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001671917286 1105730751 /nfs/dbraw/zinc/73/07/51/1105730751.db2.gz ZFZAVQLIMDIECQ-OAQYLSRUSA-N 1 3 341.499 2.603 10 30 EFEEHO C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001671917286 1105730755 /nfs/dbraw/zinc/73/07/55/1105730755.db2.gz ZFZAVQLIMDIECQ-OAQYLSRUSA-N 1 3 341.499 2.603 10 30 EFEEHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001672531011 1105859637 /nfs/dbraw/zinc/85/96/37/1105859637.db2.gz PEPBVDVCACDXGX-ZWKOTPCHSA-N 1 3 333.520 2.750 10 30 EFEEHO CCCN(C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001674252883 1106159393 /nfs/dbraw/zinc/15/93/93/1106159393.db2.gz DLYOVJNVGXUNMK-INIZCTEOSA-N 1 3 349.906 2.518 10 30 EFEEHO C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001674272598 1106164119 /nfs/dbraw/zinc/16/41/19/1106164119.db2.gz ZSUKDHYUWMZECO-QUCCMNQESA-N 1 3 341.499 2.620 10 30 EFEEHO C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001674272598 1106164123 /nfs/dbraw/zinc/16/41/23/1106164123.db2.gz ZSUKDHYUWMZECO-QUCCMNQESA-N 1 3 341.499 2.620 10 30 EFEEHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN(C)CCC)CC2)CC1 ZINC001674294236 1106167398 /nfs/dbraw/zinc/16/73/98/1106167398.db2.gz IXFWAWKYYRBWLR-UHFFFAOYSA-N 1 3 335.536 2.999 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001674503947 1106208238 /nfs/dbraw/zinc/20/82/38/1106208238.db2.gz BSCNKEVXGJPZBY-MOPGFXCFSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001674503947 1106208239 /nfs/dbraw/zinc/20/82/39/1106208239.db2.gz BSCNKEVXGJPZBY-MOPGFXCFSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001675986107 1106461230 /nfs/dbraw/zinc/46/12/30/1106461230.db2.gz MTGIEGLJPNMPTM-HOTGVXAUSA-N 1 3 329.916 2.878 10 30 EFEEHO C=C(C)CC[NH2+]C1CC(N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001677448852 1106719306 /nfs/dbraw/zinc/71/93/06/1106719306.db2.gz YXMWBUJHAAPYTF-UHFFFAOYSA-N 1 3 329.488 2.907 10 30 EFEEHO C=CCC[NH2+]Cc1ccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)c(F)c1 ZINC001677648217 1106810824 /nfs/dbraw/zinc/81/08/24/1106810824.db2.gz ILNOSWYYBQEZCF-IYBDPMFKSA-N 1 3 347.478 2.980 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001483197972 1109997430 /nfs/dbraw/zinc/99/74/30/1109997430.db2.gz JQIUNRGKQJXFLG-XLIONFOSSA-N 1 3 341.499 2.577 10 30 EFEEHO C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272669651 1112296102 /nfs/dbraw/zinc/29/61/02/1112296102.db2.gz FFKBQOKYJWQKMX-VQIMIIECSA-N 1 3 329.488 2.651 10 30 EFEEHO C=C(C)CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272669651 1112296106 /nfs/dbraw/zinc/29/61/06/1112296106.db2.gz FFKBQOKYJWQKMX-VQIMIIECSA-N 1 3 329.488 2.651 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001483798452 1112461596 /nfs/dbraw/zinc/46/15/96/1112461596.db2.gz GLRGYDXAIKNMKW-LJQANCHMSA-N 1 3 333.520 2.609 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001483798452 1112461598 /nfs/dbraw/zinc/46/15/98/1112461598.db2.gz GLRGYDXAIKNMKW-LJQANCHMSA-N 1 3 333.520 2.609 10 30 EFEEHO C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001483816566 1112485207 /nfs/dbraw/zinc/48/52/07/1112485207.db2.gz FNQALEYQDRSIKN-IBGZPJMESA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001483816566 1112485208 /nfs/dbraw/zinc/48/52/08/1112485208.db2.gz FNQALEYQDRSIKN-IBGZPJMESA-N 1 3 335.536 2.852 10 30 EFEEHO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001483849111 1112510373 /nfs/dbraw/zinc/51/03/73/1112510373.db2.gz QNQGRRFPGOUEEM-HXUWFJFHSA-N 1 3 335.536 2.999 10 30 EFEEHO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001483849111 1112510376 /nfs/dbraw/zinc/51/03/76/1112510376.db2.gz QNQGRRFPGOUEEM-HXUWFJFHSA-N 1 3 335.536 2.999 10 30 EFEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CC/C=C/CC)CC1 ZINC001483988426 1112634122 /nfs/dbraw/zinc/63/41/22/1112634122.db2.gz AWUDPQLYRJWMGD-JBVUFVISSA-N 1 3 333.520 2.609 10 30 EFEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1CCCC1 ZINC001484008156 1112657196 /nfs/dbraw/zinc/65/71/96/1112657196.db2.gz NZVBFZUIHWZGKH-PKOBYXMFSA-N 1 3 333.520 2.539 10 30 EFEEHO C=C(C)CCN1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2C1 ZINC001484874003 1117788639 /nfs/dbraw/zinc/78/86/39/1117788639.db2.gz MNYPDQDNRNLRHU-UHFFFAOYSA-N 1 3 341.499 2.926 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCCCC)[C@H](C)C2)CC1 ZINC001484985787 1117911384 /nfs/dbraw/zinc/91/13/84/1117911384.db2.gz KRNIOMXOKWWTOA-UYAOXDASSA-N 1 3 347.547 2.881 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCCCCC)[C@H](C)C2)CC1 ZINC001484985787 1117911385 /nfs/dbraw/zinc/91/13/85/1117911385.db2.gz KRNIOMXOKWWTOA-UYAOXDASSA-N 1 3 347.547 2.881 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001485085297 1118024756 /nfs/dbraw/zinc/02/47/56/1118024756.db2.gz ZQVZJVLJUXTQHX-MOPGFXCFSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001485085297 1118024761 /nfs/dbraw/zinc/02/47/61/1118024761.db2.gz ZQVZJVLJUXTQHX-MOPGFXCFSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC001485668533 1118517474 /nfs/dbraw/zinc/51/74/74/1118517474.db2.gz VKZBCHCXKARFLH-NRSPTQNISA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC001485668533 1118517475 /nfs/dbraw/zinc/51/74/75/1118517475.db2.gz VKZBCHCXKARFLH-NRSPTQNISA-N 1 3 347.547 2.997 10 30 EFEEHO C=CC[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000941027077 1118657618 /nfs/dbraw/zinc/65/76/18/1118657618.db2.gz RRGGUVXNLSNAJK-BEFAXECRSA-N 1 3 339.499 2.602 10 30 EFEEHO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000941027077 1118657621 /nfs/dbraw/zinc/65/76/21/1118657621.db2.gz RRGGUVXNLSNAJK-BEFAXECRSA-N 1 3 339.499 2.602 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)C)CC2(C)C)CC1 ZINC000941238490 1118696480 /nfs/dbraw/zinc/69/64/80/1118696480.db2.gz XJCNGZRHQALPJI-IBGZPJMESA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)C)CC2(C)C)CC1 ZINC000941238490 1118696483 /nfs/dbraw/zinc/69/64/83/1118696483.db2.gz XJCNGZRHQALPJI-IBGZPJMESA-N 1 3 347.547 2.594 10 30 EFEEHO CN1CCN(Cc2ccccc2C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000048783112 472909481 /nfs/dbraw/zinc/90/94/81/472909481.db2.gz VZJBJZCFGKXVMG-UHFFFAOYSA-N 1 3 334.467 2.595 10 30 EFEEHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358564042 475774740 /nfs/dbraw/zinc/77/47/40/475774740.db2.gz WOGLNRKIZWGNGJ-MRXNPFEDSA-N 1 3 332.467 2.766 10 30 EFEEHO C=CCOc1ccccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000349038931 475899018 /nfs/dbraw/zinc/89/90/18/475899018.db2.gz VYFOVFOJUYBRKZ-UHFFFAOYSA-N 1 3 331.504 2.709 10 30 EFEEHO C=CCOc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000349070350 475899866 /nfs/dbraw/zinc/89/98/66/475899866.db2.gz BYQIRSFYDDATLY-UHFFFAOYSA-N 1 3 343.515 2.711 10 30 EFEEHO C=CCN1CCC(N[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422865270 476818837 /nfs/dbraw/zinc/81/88/37/476818837.db2.gz XMAKLWRDOKEDBG-WOJBJXKFSA-N 1 3 329.488 2.728 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)Nc2ccccc2C[NH2+]CC)CC1 ZINC000415955368 476976279 /nfs/dbraw/zinc/97/62/79/476976279.db2.gz MUJVBJDPEQAUAL-UHFFFAOYSA-N 1 3 330.476 2.958 10 30 EFEEHO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000516861387 477998249 /nfs/dbraw/zinc/99/82/49/477998249.db2.gz ASNDGUCLNLPBIS-LTDKPHRXSA-N 1 3 328.460 2.750 10 30 EFEEHO C[N@H+](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000471880375 478011094 /nfs/dbraw/zinc/01/10/94/478011094.db2.gz NVRZLXZKALKPJL-GOSISDBHSA-N 1 3 338.455 2.621 10 30 EFEEHO C[N@@H+](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000471880375 478011105 /nfs/dbraw/zinc/01/11/05/478011105.db2.gz NVRZLXZKALKPJL-GOSISDBHSA-N 1 3 338.455 2.621 10 30 EFEEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594435897 478384594 /nfs/dbraw/zinc/38/45/94/478384594.db2.gz GESNWXYAOVVPJB-MJGOQNOKSA-N 1 3 342.487 2.521 10 30 EFEEHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594437060 478387887 /nfs/dbraw/zinc/38/78/87/478387887.db2.gz HWGCDTMGPJODPJ-NVXWUHKLSA-N 1 3 330.476 2.643 10 30 EFEEHO CN1CCN(CCCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594494875 478410822 /nfs/dbraw/zinc/41/08/22/478410822.db2.gz JRRXNJWARDOBEY-UHFFFAOYSA-N 1 3 328.504 2.605 10 30 EFEEHO CN1CCC(N2CC[C@H]([NH2+]Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000594499947 478413892 /nfs/dbraw/zinc/41/38/92/478413892.db2.gz FUEQBTNHGRFHOB-IBGZPJMESA-N 1 3 340.515 2.746 10 30 EFEEHO N#CC1(C[C@@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000600725372 478489437 /nfs/dbraw/zinc/48/94/37/478489437.db2.gz JHFLHYYYGMKWHB-RAFMOHDBSA-N 1 3 339.483 2.826 10 30 EFEEHO N#CC1(C[C@@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000600725372 478489446 /nfs/dbraw/zinc/48/94/46/478489446.db2.gz JHFLHYYYGMKWHB-RAFMOHDBSA-N 1 3 339.483 2.826 10 30 EFEEHO N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000600738553 478498207 /nfs/dbraw/zinc/49/82/07/478498207.db2.gz JKOMTMHOEGFAJH-UXHICEINSA-N 1 3 341.499 2.933 10 30 EFEEHO N#CC1(C[C@H](O)CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000600738553 478498214 /nfs/dbraw/zinc/49/82/14/478498214.db2.gz JKOMTMHOEGFAJH-UXHICEINSA-N 1 3 341.499 2.933 10 30 EFEEHO N#CC1(C[C@H](O)CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000600738553 478498219 /nfs/dbraw/zinc/49/82/19/478498219.db2.gz JKOMTMHOEGFAJH-UXHICEINSA-N 1 3 341.499 2.933 10 30 EFEEHO CN1C[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H](c2ccccc2)C1 ZINC000592376419 478873132 /nfs/dbraw/zinc/87/31/32/478873132.db2.gz KZDBKQFGMHGRGH-QUCCMNQESA-N 1 3 345.450 2.641 10 30 EFEEHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)CC1(C#N)CC1 ZINC000599345753 479261439 /nfs/dbraw/zinc/26/14/39/479261439.db2.gz BEKCQYDHMCFRQE-LJQANCHMSA-N 1 3 342.487 2.675 10 30 EFEEHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)CC1(C#N)CC1 ZINC000599345753 479261445 /nfs/dbraw/zinc/26/14/45/479261445.db2.gz BEKCQYDHMCFRQE-LJQANCHMSA-N 1 3 342.487 2.675 10 30 EFEEHO CN(C)CCC[N@H+](C)CCNc1ccc(C#N)cc1C(F)(F)F ZINC000596426027 479290854 /nfs/dbraw/zinc/29/08/54/479290854.db2.gz ZRHRZLBWMBJUCU-UHFFFAOYSA-N 1 3 328.382 2.872 10 30 EFEEHO CN(C)CCC[N@@H+](C)CCNc1ccc(C#N)cc1C(F)(F)F ZINC000596426027 479290858 /nfs/dbraw/zinc/29/08/58/479290858.db2.gz ZRHRZLBWMBJUCU-UHFFFAOYSA-N 1 3 328.382 2.872 10 30 EFEEHO C=CCCCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000577884157 479599087 /nfs/dbraw/zinc/59/90/87/479599087.db2.gz DFTALXXNVIUAMY-UHFFFAOYSA-N 1 3 336.524 2.591 10 30 EFEEHO C=CC[C@]1(C(=O)NCc2ccccc2CN2CCCCC2)CCC[NH2+]1 ZINC000662668986 481924569 /nfs/dbraw/zinc/92/45/69/481924569.db2.gz LSZBIQJDRLPAMH-OAQYLSRUSA-N 1 3 341.499 2.987 10 30 EFEEHO C=CC[C@]1(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CCC[NH2+]1 ZINC000662700385 481941556 /nfs/dbraw/zinc/94/15/56/481941556.db2.gz IATMKJNFSWMUAZ-PZJWPPBQSA-N 1 3 341.499 2.946 10 30 EFEEHO C=CC[C@@]1(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CCC[NH2+]1 ZINC000662719083 481946311 /nfs/dbraw/zinc/94/63/11/481946311.db2.gz WKCBNMSAJDWBSG-UZLBHIALSA-N 1 3 329.488 2.930 10 30 EFEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(-c2ccccn2)c1 ZINC000160784449 529100687 /nfs/dbraw/zinc/10/06/87/529100687.db2.gz JONLVCPFOPFDRE-SFHVURJKSA-N 1 3 337.471 2.637 10 30 EFEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262531490 535549325 /nfs/dbraw/zinc/54/93/25/535549325.db2.gz NUTUNYUSVXMYMV-XUJVJEKNSA-N 1 3 338.858 2.724 10 30 EFEEHO CN(CCC#N)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000247255457 536301571 /nfs/dbraw/zinc/30/15/71/536301571.db2.gz XJDNJSXKFBUICA-UYAOXDASSA-N 1 3 326.488 2.953 10 30 EFEEHO CN(CCC#N)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000247255457 536301573 /nfs/dbraw/zinc/30/15/73/536301573.db2.gz XJDNJSXKFBUICA-UYAOXDASSA-N 1 3 326.488 2.953 10 30 EFEEHO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000247255457 536301575 /nfs/dbraw/zinc/30/15/75/536301575.db2.gz XJDNJSXKFBUICA-UYAOXDASSA-N 1 3 326.488 2.953 10 30 EFEEHO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000247255457 536301576 /nfs/dbraw/zinc/30/15/76/536301576.db2.gz XJDNJSXKFBUICA-UYAOXDASSA-N 1 3 326.488 2.953 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)[C@H](CC)c2ccccc2)CC1 ZINC001691000666 1247917932 /nfs/dbraw/zinc/91/79/32/1247917932.db2.gz OAXIMMURTQDTJX-HXUWFJFHSA-N 1 3 341.499 2.531 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)[C@H](CC)c2ccccc2)CC1 ZINC001691000666 1247917941 /nfs/dbraw/zinc/91/79/41/1247917941.db2.gz OAXIMMURTQDTJX-HXUWFJFHSA-N 1 3 341.499 2.531 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001691128492 1248450295 /nfs/dbraw/zinc/45/02/95/1248450295.db2.gz KNOARDVQTSQAOF-IZAXUBKRSA-N 1 3 347.547 2.642 10 30 EFEEHO C=C(C)C[N@H+](CCC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001691190270 1248519474 /nfs/dbraw/zinc/51/94/74/1248519474.db2.gz CRTCPGDYJSORJY-SFHVURJKSA-N 1 3 327.488 2.603 10 30 EFEEHO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001691190270 1248519483 /nfs/dbraw/zinc/51/94/83/1248519483.db2.gz CRTCPGDYJSORJY-SFHVURJKSA-N 1 3 327.488 2.603 10 30 EFEEHO C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001691277222 1248588222 /nfs/dbraw/zinc/58/82/22/1248588222.db2.gz SZRYAAHMGNEMMU-GOSISDBHSA-N 1 3 347.547 2.691 10 30 EFEEHO C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001691524108 1251311105 /nfs/dbraw/zinc/31/11/05/1251311105.db2.gz YSESEQHQKGAKAV-BXWFABGCSA-N 1 3 339.499 2.650 10 30 EFEEHO C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001691620108 1251836132 /nfs/dbraw/zinc/83/61/32/1251836132.db2.gz GWBJVFXWMFIFIC-GOSISDBHSA-N 1 3 333.520 2.635 10 30 EFEEHO C#CCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001691620109 1251836912 /nfs/dbraw/zinc/83/69/12/1251836912.db2.gz GWBJVFXWMFIFIC-SFHVURJKSA-N 1 3 333.520 2.635 10 30 EFEEHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1nc[nH]c1C)C2 ZINC001484390186 1252496695 /nfs/dbraw/zinc/49/66/95/1252496695.db2.gz JRDSSVKCJRKAIV-BJWYYQGGSA-N 1 3 330.476 2.586 10 30 EFEEHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1nc[nH]c1C)C2 ZINC001484390186 1252496701 /nfs/dbraw/zinc/49/67/01/1252496701.db2.gz JRDSSVKCJRKAIV-BJWYYQGGSA-N 1 3 330.476 2.586 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001484414995 1252553758 /nfs/dbraw/zinc/55/37/58/1252553758.db2.gz JSXNPHAVPUGIFZ-AKHDSKFASA-N 1 3 333.520 2.606 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001484414995 1252553762 /nfs/dbraw/zinc/55/37/62/1252553762.db2.gz JSXNPHAVPUGIFZ-AKHDSKFASA-N 1 3 333.520 2.606 10 30 EFEEHO C=CCN1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001484471375 1252689932 /nfs/dbraw/zinc/68/99/32/1252689932.db2.gz RMRNNJDHSPRTEI-ZWKOTPCHSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001273018576 1265828015 /nfs/dbraw/zinc/82/80/15/1265828015.db2.gz MRQFKJUYXKRZEC-CRAIPNDOSA-N 1 3 327.488 2.650 10 30 EFEEHO C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCCN1CC ZINC001670946453 1258881859 /nfs/dbraw/zinc/88/18/59/1258881859.db2.gz JIOOHVINKVWTCT-XVLXNVKGSA-N 1 3 333.520 2.939 10 30 EFEEHO C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001670989040 1259340863 /nfs/dbraw/zinc/34/08/63/1259340863.db2.gz GCTYBLKERYDYNY-LJQANCHMSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001670989040 1259340867 /nfs/dbraw/zinc/34/08/67/1259340867.db2.gz GCTYBLKERYDYNY-LJQANCHMSA-N 1 3 333.520 2.750 10 30 EFEEHO C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001670988996 1259346140 /nfs/dbraw/zinc/34/61/40/1259346140.db2.gz DMVLXBDPMPWOKG-QGZVFWFLSA-N 1 3 333.520 2.607 10 30 EFEEHO C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001670988996 1259346146 /nfs/dbraw/zinc/34/61/46/1259346146.db2.gz DMVLXBDPMPWOKG-QGZVFWFLSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001486222630 1262828380 /nfs/dbraw/zinc/82/83/80/1262828380.db2.gz YUKGTPJIPCBJKA-QFBILLFUSA-N 1 3 329.488 2.812 10 30 EFEEHO C=CCCC[N@@H+](CC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001493021148 1269863165 /nfs/dbraw/zinc/86/31/65/1269863165.db2.gz AGSVDCNEBWGRTK-GOSISDBHSA-N 1 3 327.488 2.603 10 30 EFEEHO C=CCCC[N@H+](CC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001493021148 1269863177 /nfs/dbraw/zinc/86/31/77/1269863177.db2.gz AGSVDCNEBWGRTK-GOSISDBHSA-N 1 3 327.488 2.603 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001671085313 1281424035 /nfs/dbraw/zinc/42/40/35/1281424035.db2.gz OFQQMARERNFCIM-CTNGQTDRSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001671085313 1281424041 /nfs/dbraw/zinc/42/40/41/1281424041.db2.gz OFQQMARERNFCIM-CTNGQTDRSA-N 1 3 347.547 2.997 10 30 EFEEHO N#Cc1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903506733 1312786398 /nfs/dbraw/zinc/78/63/98/1312786398.db2.gz XRVLBVRBFDAACV-KDURUIRLSA-N 1 3 344.890 2.612 10 30 EFEEHO N#Cc1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903506733 1312786400 /nfs/dbraw/zinc/78/64/00/1312786400.db2.gz XRVLBVRBFDAACV-KDURUIRLSA-N 1 3 344.890 2.612 10 30 EFEEHO N#Cc1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903506733 1312786404 /nfs/dbraw/zinc/78/64/04/1312786404.db2.gz XRVLBVRBFDAACV-KDURUIRLSA-N 1 3 344.890 2.612 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000876555241 1290940837 /nfs/dbraw/zinc/94/08/37/1290940837.db2.gz QXAXXCQYQVGFCJ-HNNXBMFYSA-N 1 3 327.900 2.761 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000876716941 1290989488 /nfs/dbraw/zinc/98/94/88/1290989488.db2.gz RIUWIQGTYCFZNH-INIZCTEOSA-N 1 3 339.867 2.816 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000876738545 1290996643 /nfs/dbraw/zinc/99/66/43/1290996643.db2.gz GNAAEZUBDIAGBS-OAHLLOKOSA-N 1 3 341.908 2.546 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000876742572 1291000879 /nfs/dbraw/zinc/00/08/79/1291000879.db2.gz UXLIVPCSIKRTKU-DLBZAZTESA-N 1 3 335.879 2.718 10 30 EFEEHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000876742572 1291000887 /nfs/dbraw/zinc/00/08/87/1291000887.db2.gz UXLIVPCSIKRTKU-DLBZAZTESA-N 1 3 335.879 2.718 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000876752356 1291005341 /nfs/dbraw/zinc/00/53/41/1291005341.db2.gz MQOMVDYTSKWQQA-HZPDHXFCSA-N 1 3 327.900 2.571 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000876754231 1291007627 /nfs/dbraw/zinc/00/76/27/1291007627.db2.gz DAHCHPABWYRIQI-RHSMWYFYSA-N 1 3 335.879 2.798 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877443539 1291236427 /nfs/dbraw/zinc/23/64/27/1291236427.db2.gz FUUATQBDRRYEQQ-BPUTZDHNSA-N 1 3 327.900 2.603 10 30 EFEEHO C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001276333054 1292835449 /nfs/dbraw/zinc/83/54/49/1292835449.db2.gz DAPIEBYYQHTEAW-UXHICEINSA-N 1 3 347.547 2.881 10 30 EFEEHO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001276333054 1292835458 /nfs/dbraw/zinc/83/54/58/1292835458.db2.gz DAPIEBYYQHTEAW-UXHICEINSA-N 1 3 347.547 2.881 10 30 EFEEHO C#CCC1([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)CCCCC1 ZINC001198084256 1294868415 /nfs/dbraw/zinc/86/84/15/1294868415.db2.gz GBQSCDHVZXQYDK-IBGZPJMESA-N 1 3 341.499 2.721 10 30 EFEEHO C#CC[N@@H+](CC[C@@H]1CCCN1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426042 1294959737 /nfs/dbraw/zinc/95/97/37/1294959737.db2.gz FGECORJFBWGKGX-KRWDZBQOSA-N 1 3 349.519 2.805 10 30 EFEEHO C#CC[N@H+](CC[C@@H]1CCCN1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426042 1294959746 /nfs/dbraw/zinc/95/97/46/1294959746.db2.gz FGECORJFBWGKGX-KRWDZBQOSA-N 1 3 349.519 2.805 10 30 EFEEHO C#CCC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001489241368 1298151786 /nfs/dbraw/zinc/15/17/86/1298151786.db2.gz CGSCDNPWIZYGDJ-HXUWFJFHSA-N 1 3 341.499 2.746 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CCCN1C(C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001278151245 1313714396 /nfs/dbraw/zinc/71/43/96/1313714396.db2.gz LFDXAJRCORFGBA-FQEVSTJZSA-N 1 3 345.531 2.586 10 30 EFEEHO C#CCNC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccc2ccccc2c1 ZINC001278207329 1313789310 /nfs/dbraw/zinc/78/93/10/1313789310.db2.gz PSJAYBJMWGNWNI-HXUWFJFHSA-N 1 3 349.478 2.562 10 30 EFEEHO C=CCN1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000868284118 1304225282 /nfs/dbraw/zinc/22/52/82/1304225282.db2.gz PQFIFICZCXPWDT-LJQANCHMSA-N 1 3 348.535 2.733 10 30 EFEEHO C=CCN1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000868284118 1304225290 /nfs/dbraw/zinc/22/52/90/1304225290.db2.gz PQFIFICZCXPWDT-LJQANCHMSA-N 1 3 348.535 2.733 10 30 EFEEHO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900377735 1308100029 /nfs/dbraw/zinc/10/00/29/1308100029.db2.gz CSDMFJKDYWZYCJ-UHFFFAOYSA-N 1 3 341.459 2.598 10 30 EFEEHO C=CCCCCC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001276879349 1311240865 /nfs/dbraw/zinc/24/08/65/1311240865.db2.gz ZQVBESGXBLLRQM-LJQANCHMSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001276879349 1311240867 /nfs/dbraw/zinc/24/08/67/1311240867.db2.gz ZQVBESGXBLLRQM-LJQANCHMSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001277275251 1311905611 /nfs/dbraw/zinc/90/56/11/1311905611.db2.gz PCQJEOPOSADFSR-IBGZPJMESA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001277275251 1311905615 /nfs/dbraw/zinc/90/56/15/1311905615.db2.gz PCQJEOPOSADFSR-IBGZPJMESA-N 1 3 347.547 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CCC)C2CCCCCC2)CC1 ZINC001277383022 1312087193 /nfs/dbraw/zinc/08/71/93/1312087193.db2.gz WKGOOXQSIGKBMD-UHFFFAOYSA-N 1 3 347.547 2.883 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@H+](CCC)C2CCCCCC2)CC1 ZINC001277383022 1312087197 /nfs/dbraw/zinc/08/71/97/1312087197.db2.gz WKGOOXQSIGKBMD-UHFFFAOYSA-N 1 3 347.547 2.883 10 30 EFEEHO C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001277398223 1312112423 /nfs/dbraw/zinc/11/24/23/1312112423.db2.gz GLGNJNLOVHATDV-HXUWFJFHSA-N 1 3 345.531 2.587 10 30 EFEEHO C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001277398223 1312112426 /nfs/dbraw/zinc/11/24/26/1312112426.db2.gz GLGNJNLOVHATDV-HXUWFJFHSA-N 1 3 345.531 2.587 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001278449769 1314633057 /nfs/dbraw/zinc/63/30/57/1314633057.db2.gz ILOMXLQGNXQSPL-WIYYLYMNSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001278449769 1314633058 /nfs/dbraw/zinc/63/30/58/1314633058.db2.gz ILOMXLQGNXQSPL-WIYYLYMNSA-N 1 3 347.547 2.594 10 30 EFEEHO C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001278550683 1315175258 /nfs/dbraw/zinc/17/52/58/1315175258.db2.gz XOQYCWRQROIMHU-OALUTQOASA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001278747763 1315650984 /nfs/dbraw/zinc/65/09/84/1315650984.db2.gz SZFJYHFIAMRVKW-OAHLLOKOSA-N 1 3 343.462 2.510 10 30 EFEEHO C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001278747763 1315650988 /nfs/dbraw/zinc/65/09/88/1315650988.db2.gz SZFJYHFIAMRVKW-OAHLLOKOSA-N 1 3 343.462 2.510 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CN(C)CCC ZINC001263957299 1316575353 /nfs/dbraw/zinc/57/53/53/1316575353.db2.gz BRRWUWRXKSTPHB-HOCLYGCPSA-N 1 3 329.916 2.688 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CC2CCCCCC2)CC1 ZINC001318607575 1328651201 /nfs/dbraw/zinc/65/12/01/1328651201.db2.gz PZSDIAOOSZARFC-HXUWFJFHSA-N 1 3 347.547 2.786 10 30 EFEEHO C#CCN1CCC2(C[C@H](C)N(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001264497443 1316620754 /nfs/dbraw/zinc/62/07/54/1316620754.db2.gz VTWYGSCSLKXHSI-IBGZPJMESA-N 1 3 345.531 2.589 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001264585836 1316635499 /nfs/dbraw/zinc/63/54/99/1316635499.db2.gz HITHICBIHPOKAI-MNEFBYGVSA-N 1 3 344.503 2.832 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001264585836 1316635502 /nfs/dbraw/zinc/63/55/02/1316635502.db2.gz HITHICBIHPOKAI-MNEFBYGVSA-N 1 3 344.503 2.832 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCCC)[C@@H]2CC)CC1 ZINC001264627612 1316644004 /nfs/dbraw/zinc/64/40/04/1316644004.db2.gz TZPRUZNETIQUAU-VQTJNVASSA-N 1 3 347.547 2.881 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCC)[C@@H]2CC)CC1 ZINC001264627612 1316644006 /nfs/dbraw/zinc/64/40/06/1316644006.db2.gz TZPRUZNETIQUAU-VQTJNVASSA-N 1 3 347.547 2.881 10 30 EFEEHO C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001281087850 1316675487 /nfs/dbraw/zinc/67/54/87/1316675487.db2.gz NWGKLENZAQOQOE-IBGZPJMESA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001281087850 1316675490 /nfs/dbraw/zinc/67/54/90/1316675490.db2.gz NWGKLENZAQOQOE-IBGZPJMESA-N 1 3 333.520 2.751 10 30 EFEEHO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001265522639 1316818766 /nfs/dbraw/zinc/81/87/66/1316818766.db2.gz ACLNCSFKKXOKFB-ZWKOTPCHSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001265522639 1316818769 /nfs/dbraw/zinc/81/87/69/1316818769.db2.gz ACLNCSFKKXOKFB-ZWKOTPCHSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001266110102 1317049611 /nfs/dbraw/zinc/04/96/11/1317049611.db2.gz ANRWPGIVRFKFMD-LPHOPBHVSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001266110102 1317049619 /nfs/dbraw/zinc/04/96/19/1317049619.db2.gz ANRWPGIVRFKFMD-LPHOPBHVSA-N 1 3 339.499 2.698 10 30 EFEEHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1Cl)N(C)C ZINC001266182242 1317128826 /nfs/dbraw/zinc/12/88/26/1317128826.db2.gz DINFPOAIPYJPJL-CRAIPNDOSA-N 1 3 349.906 2.516 10 30 EFEEHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001279182832 1317205305 /nfs/dbraw/zinc/20/53/05/1317205305.db2.gz YPXXPIKHBDBWKH-LSDHHAIUSA-N 1 3 349.441 2.662 10 30 EFEEHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C(F)(F)F ZINC001279182831 1317205640 /nfs/dbraw/zinc/20/56/40/1317205640.db2.gz YPXXPIKHBDBWKH-HUUCEWRRSA-N 1 3 349.441 2.662 10 30 EFEEHO C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001280890693 1317882546 /nfs/dbraw/zinc/88/25/46/1317882546.db2.gz XKKJDLSCSIDTGK-MOPGFXCFSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001280890693 1317882549 /nfs/dbraw/zinc/88/25/49/1317882549.db2.gz XKKJDLSCSIDTGK-MOPGFXCFSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001280890217 1317882998 /nfs/dbraw/zinc/88/29/98/1317882998.db2.gz VNZJZTPPKJOLFQ-WOJBJXKFSA-N 1 3 345.531 2.589 10 30 EFEEHO C=C(C)CN1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001282812688 1319141771 /nfs/dbraw/zinc/14/17/71/1319141771.db2.gz PMTBWXFDMWIFRA-KRWDZBQOSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001282833496 1319151233 /nfs/dbraw/zinc/15/12/33/1319151233.db2.gz LCWIBAVXLIDAOT-MSOLQXFVSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001282833496 1319151235 /nfs/dbraw/zinc/15/12/35/1319151235.db2.gz LCWIBAVXLIDAOT-MSOLQXFVSA-N 1 3 335.536 2.900 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCC(C)C)C2)CC1 ZINC001284242098 1320283075 /nfs/dbraw/zinc/28/30/75/1320283075.db2.gz DMYCVKFIEOLADE-UYAOXDASSA-N 1 3 347.547 2.642 10 30 EFEEHO CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001319867558 1329021774 /nfs/dbraw/zinc/02/17/74/1329021774.db2.gz FUXNCEXWALCLSC-XLIONFOSSA-N 1 3 341.499 2.602 10 30 EFEEHO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCCCCC)CC[C@@H]21 ZINC001320112813 1329084323 /nfs/dbraw/zinc/08/43/23/1329084323.db2.gz WAAOFAMZSUKQGC-OALUTQOASA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCCCCC)CC[C@@H]21 ZINC001320112813 1329084331 /nfs/dbraw/zinc/08/43/31/1329084331.db2.gz WAAOFAMZSUKQGC-OALUTQOASA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001320184581 1329102386 /nfs/dbraw/zinc/10/23/86/1329102386.db2.gz PVYQKLFLXYXOLD-RTBURBONSA-N 1 3 329.488 2.812 10 30 EFEEHO C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001316775207 1325129187 /nfs/dbraw/zinc/12/91/87/1325129187.db2.gz YMXNOPUETYCANL-MOPGFXCFSA-N 1 3 333.520 2.633 10 30 EFEEHO C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001321248251 1329362984 /nfs/dbraw/zinc/36/29/84/1329362984.db2.gz ACHTZWBCRZITCF-KJYTYGLYSA-N 1 3 339.499 2.816 10 30 EFEEHO C#CCN1CCC(C(=O)NC2CCC([NH2+]CCC(C)(C)C)CC2)CC1 ZINC001317221396 1327766512 /nfs/dbraw/zinc/76/65/12/1327766512.db2.gz IZCHTENBKOOWJW-UHFFFAOYSA-N 1 3 347.547 2.785 10 30 EFEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317436611 1328024711 /nfs/dbraw/zinc/02/47/11/1328024711.db2.gz ZCGCEKKTOGRLCX-CVEARBPZSA-N 1 3 329.916 2.686 10 30 EFEEHO C#CC[NH2+][C@@H](CNC(=O)[C@@H](c1ccccc1)N(C)CC)c1ccccc1 ZINC001317727775 1328337663 /nfs/dbraw/zinc/33/76/63/1328337663.db2.gz XQOUJKQVBTVMEC-LEWJYISDSA-N 1 3 349.478 2.760 10 30 EFEEHO C#CCN1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](CC=C(C)C)C2)CC1 ZINC001317770742 1328367016 /nfs/dbraw/zinc/36/70/16/1328367016.db2.gz ATIOLEDHWRWJNM-HXUWFJFHSA-N 1 3 345.531 2.611 10 30 EFEEHO C#CCN1CCC(C(=O)N(CCC)[C@@H]2CC[N@@H+](CC=C(C)C)C2)CC1 ZINC001317770742 1328367025 /nfs/dbraw/zinc/36/70/25/1328367025.db2.gz ATIOLEDHWRWJNM-HXUWFJFHSA-N 1 3 345.531 2.611 10 30 EFEEHO C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001322243883 1329440507 /nfs/dbraw/zinc/44/05/07/1329440507.db2.gz JEHNOCPFRAPBHV-YJBOKZPZSA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001322243883 1329440509 /nfs/dbraw/zinc/44/05/09/1329440509.db2.gz JEHNOCPFRAPBHV-YJBOKZPZSA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001323540452 1329550319 /nfs/dbraw/zinc/55/03/19/1329550319.db2.gz CUHBCNZVAGSJHP-KXBFYZLASA-N 1 3 339.499 2.792 10 30 EFEEHO C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001324225023 1329609236 /nfs/dbraw/zinc/60/92/36/1329609236.db2.gz GJLOJCGDTJWESY-LPHOPBHVSA-N 1 3 339.499 2.746 10 30 EFEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001324395332 1329623391 /nfs/dbraw/zinc/62/33/91/1329623391.db2.gz ABDXYXATJUXDJD-GOSISDBHSA-N 1 3 335.536 2.689 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1nc[nH]c1C)C2 ZINC001325630550 1329702744 /nfs/dbraw/zinc/70/27/44/1329702744.db2.gz VJCYYDCLQQENNH-NRSFXHEJSA-N 1 3 344.503 2.975 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1nc[nH]c1C)C2 ZINC001325630550 1329702745 /nfs/dbraw/zinc/70/27/45/1329702745.db2.gz VJCYYDCLQQENNH-NRSFXHEJSA-N 1 3 344.503 2.975 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001325920809 1329725018 /nfs/dbraw/zinc/72/50/18/1329725018.db2.gz MYPYPBAUODQNDI-JKSUJKDBSA-N 1 3 330.476 2.719 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001325920809 1329725019 /nfs/dbraw/zinc/72/50/19/1329725019.db2.gz MYPYPBAUODQNDI-JKSUJKDBSA-N 1 3 330.476 2.719 10 30 EFEEHO C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001327531810 1330496254 /nfs/dbraw/zinc/49/62/54/1330496254.db2.gz UPQNTACRESHFBT-FQEVSTJZSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001327531810 1330496255 /nfs/dbraw/zinc/49/62/55/1330496255.db2.gz UPQNTACRESHFBT-FQEVSTJZSA-N 1 3 333.520 2.751 10 30 EFEEHO C#CC[NH2+]CCC[C@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC001331175884 1330801937 /nfs/dbraw/zinc/80/19/37/1330801937.db2.gz DPGYHCMPHCSGKS-VQTJNVASSA-N 1 3 341.499 2.720 10 30 EFEEHO C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001331559418 1330852500 /nfs/dbraw/zinc/85/25/00/1330852500.db2.gz FFPKMBHIEOQZPG-QAPCUYQASA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001331559414 1330852591 /nfs/dbraw/zinc/85/25/91/1330852591.db2.gz FFPKMBHIEOQZPG-CRAIPNDOSA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC001332424716 1330970666 /nfs/dbraw/zinc/97/06/66/1330970666.db2.gz UYPALISRTKFPPB-BEFAXECRSA-N 1 3 339.499 2.602 10 30 EFEEHO C=CCC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001332859666 1331032265 /nfs/dbraw/zinc/03/22/65/1331032265.db2.gz ZAFZARKAMUZLEE-DNVCBOLYSA-N 1 3 341.515 2.896 10 30 EFEEHO C=C(Cl)CN1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001366703069 1337893562 /nfs/dbraw/zinc/89/35/62/1337893562.db2.gz FZPBZXUKWDCPGI-SJLPKXTDSA-N 1 3 349.906 2.870 10 30 EFEEHO C=C(Cl)CN1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001366703069 1337893568 /nfs/dbraw/zinc/89/35/68/1337893568.db2.gz FZPBZXUKWDCPGI-SJLPKXTDSA-N 1 3 349.906 2.870 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001374178960 1341519125 /nfs/dbraw/zinc/51/91/25/1341519125.db2.gz HKCLUNRSGVXNEN-GJZGRUSLSA-N 1 3 327.900 2.630 10 30 EFEEHO C=C(Cl)CNC[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001375792654 1343020305 /nfs/dbraw/zinc/02/03/05/1343020305.db2.gz ZIGWHNJIMQWNLF-DLBZAZTESA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CNC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001375792654 1343020308 /nfs/dbraw/zinc/02/03/08/1343020308.db2.gz ZIGWHNJIMQWNLF-DLBZAZTESA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CNC[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001390148927 1353863060 /nfs/dbraw/zinc/86/30/60/1353863060.db2.gz GUKMWMBRQKVFHK-IAGOWNOFSA-N 1 3 341.927 2.973 10 30 EFEEHO C=C(Cl)CNC[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001390148927 1353863065 /nfs/dbraw/zinc/86/30/65/1353863065.db2.gz GUKMWMBRQKVFHK-IAGOWNOFSA-N 1 3 341.927 2.973 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)CC[C@H]2CCC[N@H+]2C)CCCC1 ZINC001391771235 1355515418 /nfs/dbraw/zinc/51/54/18/1355515418.db2.gz YJKRIZGKGUCXEV-OAHLLOKOSA-N 1 3 327.900 2.632 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001391771235 1355515423 /nfs/dbraw/zinc/51/54/23/1355515423.db2.gz YJKRIZGKGUCXEV-OAHLLOKOSA-N 1 3 327.900 2.632 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)CC[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001391771221 1355515744 /nfs/dbraw/zinc/51/57/44/1355515744.db2.gz YJKRIZGKGUCXEV-HNNXBMFYSA-N 1 3 327.900 2.632 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001391771221 1355515746 /nfs/dbraw/zinc/51/57/46/1355515746.db2.gz YJKRIZGKGUCXEV-HNNXBMFYSA-N 1 3 327.900 2.632 10 30 EFEEHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001394449561 1357830428 /nfs/dbraw/zinc/83/04/28/1357830428.db2.gz MPQGQNFOBCLHJN-NVXWUHKLSA-N 1 3 341.927 2.830 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001400969482 1362308023 /nfs/dbraw/zinc/30/80/23/1362308023.db2.gz AWOBQNCOQJZOQA-HZPDHXFCSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001400969482 1362308027 /nfs/dbraw/zinc/30/80/27/1362308027.db2.gz AWOBQNCOQJZOQA-HZPDHXFCSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001402319001 1363603569 /nfs/dbraw/zinc/60/35/69/1363603569.db2.gz UGIBUQFAVFANNM-IRXDYDNUSA-N 1 3 339.911 2.630 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001402319001 1363603575 /nfs/dbraw/zinc/60/35/75/1363603575.db2.gz UGIBUQFAVFANNM-IRXDYDNUSA-N 1 3 339.911 2.630 10 30 EFEEHO C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001421003266 1378006057 /nfs/dbraw/zinc/00/60/57/1378006057.db2.gz BQOYWAQNTALTAY-QGZVFWFLSA-N 1 3 341.927 2.640 10 30 EFEEHO C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001421003266 1378006060 /nfs/dbraw/zinc/00/60/60/1378006060.db2.gz BQOYWAQNTALTAY-QGZVFWFLSA-N 1 3 341.927 2.640 10 30 EFEEHO C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001421003261 1378006675 /nfs/dbraw/zinc/00/66/75/1378006675.db2.gz BQOYWAQNTALTAY-KRWDZBQOSA-N 1 3 341.927 2.640 10 30 EFEEHO C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001421003261 1378006677 /nfs/dbraw/zinc/00/66/77/1378006677.db2.gz BQOYWAQNTALTAY-KRWDZBQOSA-N 1 3 341.927 2.640 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001422119500 1379639626 /nfs/dbraw/zinc/63/96/26/1379639626.db2.gz KRIMAXREWFJDAB-HOTGVXAUSA-N 1 3 329.916 2.591 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001422119500 1379639627 /nfs/dbraw/zinc/63/96/27/1379639627.db2.gz KRIMAXREWFJDAB-HOTGVXAUSA-N 1 3 329.916 2.591 10 30 EFEEHO C=C(Cl)CNC[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001423486468 1381979025 /nfs/dbraw/zinc/97/90/25/1381979025.db2.gz RFZOAXFUUWILMB-WMLDXEAASA-N 1 3 345.890 2.532 10 30 EFEEHO C=C(Cl)CNC[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001423486468 1381979031 /nfs/dbraw/zinc/97/90/31/1381979031.db2.gz RFZOAXFUUWILMB-WMLDXEAASA-N 1 3 345.890 2.532 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001438828108 1388844616 /nfs/dbraw/zinc/84/46/16/1388844616.db2.gz LVCCOBGEYAGLBY-YOEHRIQHSA-N 1 3 347.906 2.682 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001438828108 1388844621 /nfs/dbraw/zinc/84/46/21/1388844621.db2.gz LVCCOBGEYAGLBY-YOEHRIQHSA-N 1 3 347.906 2.682 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001506870526 1406389172 /nfs/dbraw/zinc/38/91/72/1406389172.db2.gz QSLKSMIDJKIGOL-RLLQIKCJSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001506870526 1406389183 /nfs/dbraw/zinc/38/91/83/1406389183.db2.gz QSLKSMIDJKIGOL-RLLQIKCJSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCC[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001460888033 1396267571 /nfs/dbraw/zinc/26/75/71/1396267571.db2.gz YFWAHXXOIHUYOH-OALUTQOASA-N 1 3 329.488 2.836 10 30 EFEEHO C=CCC[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001460888033 1396267575 /nfs/dbraw/zinc/26/75/75/1396267575.db2.gz YFWAHXXOIHUYOH-OALUTQOASA-N 1 3 329.488 2.836 10 30 EFEEHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001479246304 1397637995 /nfs/dbraw/zinc/63/79/95/1397637995.db2.gz MQNWGYVFCMCIFX-VQIMIIECSA-N 1 3 339.499 2.698 10 30 EFEEHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001479246304 1397637999 /nfs/dbraw/zinc/63/79/99/1397637999.db2.gz MQNWGYVFCMCIFX-VQIMIIECSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001479425703 1397722638 /nfs/dbraw/zinc/72/26/38/1397722638.db2.gz SNHKMJVRYHKDNL-XUVXKRRUSA-N 1 3 343.515 2.733 10 30 EFEEHO C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001479425703 1397722640 /nfs/dbraw/zinc/72/26/40/1397722640.db2.gz SNHKMJVRYHKDNL-XUVXKRRUSA-N 1 3 343.515 2.733 10 30 EFEEHO C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC001507354551 1406940328 /nfs/dbraw/zinc/94/03/28/1406940328.db2.gz CCGXYICBQCEXQA-NZSAHSFTSA-N 1 3 333.520 2.654 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001494739286 1399450427 /nfs/dbraw/zinc/45/04/27/1399450427.db2.gz RQXIKCQGNDPSEQ-APWZRJJASA-N 1 3 329.488 2.907 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001494739286 1399450433 /nfs/dbraw/zinc/45/04/33/1399450433.db2.gz RQXIKCQGNDPSEQ-APWZRJJASA-N 1 3 329.488 2.907 10 30 EFEEHO C=CCCC[NH2+]C[C@@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@@H]1C ZINC001495327868 1399855275 /nfs/dbraw/zinc/85/52/75/1399855275.db2.gz WVNKUOVXBISSOD-KXBFYZLASA-N 1 3 332.492 2.882 10 30 EFEEHO CC#CCNCc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001495496360 1400029345 /nfs/dbraw/zinc/02/93/45/1400029345.db2.gz RIGXEPKAJHRWQC-FQEVSTJZSA-N 1 3 341.499 2.679 10 30 EFEEHO CC#CCNCc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001495496360 1400029351 /nfs/dbraw/zinc/02/93/51/1400029351.db2.gz RIGXEPKAJHRWQC-FQEVSTJZSA-N 1 3 341.499 2.679 10 30 EFEEHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001495509434 1400042038 /nfs/dbraw/zinc/04/20/38/1400042038.db2.gz QAEMWJCQXKHWQQ-LJQANCHMSA-N 1 3 329.488 2.843 10 30 EFEEHO C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001495742930 1400217869 /nfs/dbraw/zinc/21/78/69/1400217869.db2.gz LDJNZCXWGQMJOG-YJBOKZPZSA-N 1 3 327.488 2.507 10 30 EFEEHO C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001496288254 1400603609 /nfs/dbraw/zinc/60/36/09/1400603609.db2.gz LQQWSDKAWWSXNL-QFBILLFUSA-N 1 3 341.515 2.896 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C(C)(C)C)CC1 ZINC001508039100 1407257711 /nfs/dbraw/zinc/25/77/11/1407257711.db2.gz YDIYYAPSEQQSRF-GOSISDBHSA-N 1 3 349.563 2.888 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(C)C ZINC001499507075 1402647949 /nfs/dbraw/zinc/64/79/49/1402647949.db2.gz ZPBJNLFFSDEMFT-QYZOEREBSA-N 1 3 333.520 2.891 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(C)C ZINC001499507075 1402647956 /nfs/dbraw/zinc/64/79/56/1402647956.db2.gz ZPBJNLFFSDEMFT-QYZOEREBSA-N 1 3 333.520 2.891 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CCCN1C(C)C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001500037231 1402908262 /nfs/dbraw/zinc/90/82/62/1402908262.db2.gz CJABPPIILKRRGN-QUCCMNQESA-N 1 3 347.547 2.832 10 30 EFEEHO C#CCN(C(=O)CN(C)CC(C)(C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001500047241 1402912356 /nfs/dbraw/zinc/91/23/56/1402912356.db2.gz LTYGQZPOPKHPMJ-UHFFFAOYSA-N 1 3 347.547 2.691 10 30 EFEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C1CCCC1 ZINC001500131450 1402949831 /nfs/dbraw/zinc/94/98/31/1402949831.db2.gz ODLBBHUTAKFDJQ-UXHICEINSA-N 1 3 347.547 2.785 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](CCCCC)C2)CC1 ZINC001500552787 1403217401 /nfs/dbraw/zinc/21/74/01/1403217401.db2.gz LTRIZXNKHGZOLP-NRFANRHFSA-N 1 3 347.547 2.740 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@]2(C)CCC[N@H+](CCCCC)C2)CC1 ZINC001500552787 1403217404 /nfs/dbraw/zinc/21/74/04/1403217404.db2.gz LTRIZXNKHGZOLP-NRFANRHFSA-N 1 3 347.547 2.740 10 30 EFEEHO C=C(C)C[NH+]1CCC(C2(NC(=O)CN3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001508161657 1407323041 /nfs/dbraw/zinc/32/30/41/1407323041.db2.gz DWOLQTDBPYONKT-CALCHBBNSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)Cc3nc[nH]c3C)CC2)CC1 ZINC001508161792 1407322495 /nfs/dbraw/zinc/32/24/95/1407322495.db2.gz HBWUXPYNGNZIQB-OAHLLOKOSA-N 1 3 344.503 2.976 10 30 EFEEHO C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC001501668724 1403690265 /nfs/dbraw/zinc/69/02/65/1403690265.db2.gz LDBPIZTWXLXBTQ-KRWDZBQOSA-N 1 3 329.488 2.653 10 30 EFEEHO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC001501668724 1403690278 /nfs/dbraw/zinc/69/02/78/1403690278.db2.gz LDBPIZTWXLXBTQ-KRWDZBQOSA-N 1 3 329.488 2.653 10 30 EFEEHO C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001501678913 1403710457 /nfs/dbraw/zinc/71/04/57/1403710457.db2.gz IECYCZJGFOBDEP-INIZCTEOSA-N 1 3 329.488 2.565 10 30 EFEEHO C#CCN1CCC(C(=O)NCc2ccc([C@H](C)[NH2+]CCC)cc2)CC1 ZINC001501681424 1403714003 /nfs/dbraw/zinc/71/40/03/1403714003.db2.gz ITTKJYPVGWXEAT-KRWDZBQOSA-N 1 3 341.499 2.709 10 30 EFEEHO C=CCC[N@H+]1CC=C(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001508220206 1407357732 /nfs/dbraw/zinc/35/77/32/1407357732.db2.gz RNOSAMJCCLDXPK-LJQANCHMSA-N 1 3 337.483 2.523 10 30 EFEEHO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001508220206 1407357737 /nfs/dbraw/zinc/35/77/37/1407357737.db2.gz RNOSAMJCCLDXPK-LJQANCHMSA-N 1 3 337.483 2.523 10 30 EFEEHO C=C(C)CC[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCC1 ZINC001502000017 1403939682 /nfs/dbraw/zinc/93/96/82/1403939682.db2.gz QOISJLFYNVKJPE-IBGZPJMESA-N 1 3 339.499 2.794 10 30 EFEEHO CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCC)CC1 ZINC001502404412 1404143528 /nfs/dbraw/zinc/14/35/28/1404143528.db2.gz GYCICNVSSXETPR-BGYRXZFFSA-N 1 3 345.531 2.730 10 30 EFEEHO CC#CCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001502831263 1404383328 /nfs/dbraw/zinc/38/33/28/1404383328.db2.gz YKLNFIKDCASXIT-SFHVURJKSA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001502837106 1404395082 /nfs/dbraw/zinc/39/50/82/1404395082.db2.gz XJQUQXSUTCDVSM-RHSMWYFYSA-N 1 3 332.492 2.832 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001502837106 1404395090 /nfs/dbraw/zinc/39/50/90/1404395090.db2.gz XJQUQXSUTCDVSM-RHSMWYFYSA-N 1 3 332.492 2.832 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001505472612 1404707610 /nfs/dbraw/zinc/70/76/10/1404707610.db2.gz IYPINNRDZRTAAK-RTBURBONSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001505472612 1404707615 /nfs/dbraw/zinc/70/76/15/1404707615.db2.gz IYPINNRDZRTAAK-RTBURBONSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(Cl)CNCC1CC(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001505518892 1404738810 /nfs/dbraw/zinc/73/88/10/1404738810.db2.gz ZPVKFAMFIJPHII-UHFFFAOYSA-N 1 3 349.906 2.641 10 30 EFEEHO C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001505833550 1405123417 /nfs/dbraw/zinc/12/34/17/1405123417.db2.gz KXVKGMYGJHXDRD-LJQANCHMSA-N 1 3 341.515 2.849 10 30 EFEEHO C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001506576231 1405993281 /nfs/dbraw/zinc/99/32/81/1405993281.db2.gz RLIXAZFKVVSDBA-RBUKOAKNSA-N 1 3 333.520 2.635 10 30 EFEEHO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)N1CCCCCC1 ZINC001506576231 1405993290 /nfs/dbraw/zinc/99/32/90/1405993290.db2.gz RLIXAZFKVVSDBA-RBUKOAKNSA-N 1 3 333.520 2.635 10 30 EFEEHO C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001565855918 1415435313 /nfs/dbraw/zinc/43/53/13/1415435313.db2.gz BIJNRAYGVKIACX-IZAXUBKRSA-N 1 3 329.488 2.812 10 30 EFEEHO C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)CCCCCC)C(C)(C)[C@H]21 ZINC001565995008 1415475045 /nfs/dbraw/zinc/47/50/45/1415475045.db2.gz NCWHZJPRKJLUBD-RLLQIKCJSA-N 1 3 347.547 2.737 10 30 EFEEHO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)CCCCCC)C(C)(C)[C@H]21 ZINC001565995008 1415475052 /nfs/dbraw/zinc/47/50/52/1415475052.db2.gz NCWHZJPRKJLUBD-RLLQIKCJSA-N 1 3 347.547 2.737 10 30 EFEEHO C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)CCCCCC)C(C)(C)[C@@H]21 ZINC001565995007 1415475182 /nfs/dbraw/zinc/47/51/82/1415475182.db2.gz NCWHZJPRKJLUBD-MISYRCLQSA-N 1 3 347.547 2.737 10 30 EFEEHO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)CCCCCC)C(C)(C)[C@@H]21 ZINC001565995007 1415475183 /nfs/dbraw/zinc/47/51/83/1415475183.db2.gz NCWHZJPRKJLUBD-MISYRCLQSA-N 1 3 347.547 2.737 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@@H]2C1 ZINC001566054481 1415494345 /nfs/dbraw/zinc/49/43/45/1415494345.db2.gz CAVUCETYRRGUBB-QYZOEREBSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@@H]2C1 ZINC001566054481 1415494347 /nfs/dbraw/zinc/49/43/47/1415494347.db2.gz CAVUCETYRRGUBB-QYZOEREBSA-N 1 3 333.520 2.607 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+][C@H](CC)c2ccccc2)CC1 ZINC001567081879 1415928101 /nfs/dbraw/zinc/92/81/01/1415928101.db2.gz CZGVALJVDNSMAW-YLJYHZDGSA-N 1 3 341.499 2.577 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[C@H]2CCC[N@H+]2C[C@H](C)CC)CC1 ZINC001567266843 1416047069 /nfs/dbraw/zinc/04/70/69/1416047069.db2.gz OASHUZFJCHXJSW-QUCCMNQESA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2C[C@H](C)CC)CC1 ZINC001567266843 1416047073 /nfs/dbraw/zinc/04/70/73/1416047073.db2.gz OASHUZFJCHXJSW-QUCCMNQESA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)c1ccccc1 ZINC001567661490 1416235725 /nfs/dbraw/zinc/23/57/25/1416235725.db2.gz ZPSLPRJVEMWJGI-RBUKOAKNSA-N 1 3 329.488 2.740 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC001567661490 1416235727 /nfs/dbraw/zinc/23/57/27/1416235727.db2.gz ZPSLPRJVEMWJGI-RBUKOAKNSA-N 1 3 329.488 2.740 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)c1ccccc1 ZINC001567661491 1416235889 /nfs/dbraw/zinc/23/58/89/1416235889.db2.gz ZPSLPRJVEMWJGI-RTBURBONSA-N 1 3 329.488 2.740 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC001567661491 1416235892 /nfs/dbraw/zinc/23/58/92/1416235892.db2.gz ZPSLPRJVEMWJGI-RTBURBONSA-N 1 3 329.488 2.740 10 30 EFEEHO C=CCCCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001567744070 1416268718 /nfs/dbraw/zinc/26/87/18/1416268718.db2.gz CXPVRVAETJYUGN-IBGZPJMESA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001567744070 1416268721 /nfs/dbraw/zinc/26/87/21/1416268721.db2.gz CXPVRVAETJYUGN-IBGZPJMESA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001568300235 1416470167 /nfs/dbraw/zinc/47/01/67/1416470167.db2.gz NCXNWWZSLLLCCC-YJBOKZPZSA-N 1 3 327.488 2.602 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]([C@H](C)CCC=C)C2)CC1 ZINC001690393873 1417208652 /nfs/dbraw/zinc/20/86/52/1417208652.db2.gz NVEVNRNRYPHCGQ-MOPGFXCFSA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001690393873 1417208654 /nfs/dbraw/zinc/20/86/54/1417208654.db2.gz NVEVNRNRYPHCGQ-MOPGFXCFSA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001690393874 1417209447 /nfs/dbraw/zinc/20/94/47/1417209447.db2.gz NVEVNRNRYPHCGQ-OALUTQOASA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001690393874 1417209452 /nfs/dbraw/zinc/20/94/52/1417209452.db2.gz NVEVNRNRYPHCGQ-OALUTQOASA-N 1 3 345.531 2.515 10 30 EFEEHO CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001692329817 1417278112 /nfs/dbraw/zinc/27/81/12/1417278112.db2.gz NVSHXSBVFCPTQB-MOPGFXCFSA-N 1 3 333.520 2.633 10 30 EFEEHO C#CCN(C(=O)CN(C)C1CCC1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001699781906 1417467767 /nfs/dbraw/zinc/46/77/67/1417467767.db2.gz MOCVIDODYNRLNV-SFHVURJKSA-N 1 3 345.531 2.752 10 30 EFEEHO C#CCN(C(=O)CN(C)C1CCC1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001699781901 1417468135 /nfs/dbraw/zinc/46/81/35/1417468135.db2.gz MOCVIDODYNRLNV-GOSISDBHSA-N 1 3 345.531 2.752 10 30 EFEEHO C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)[C@H]21 ZINC001707189562 1418228200 /nfs/dbraw/zinc/22/82/00/1418228200.db2.gz ULFHWNTVFQTSSW-QRQLOZEOSA-N 1 3 335.536 2.898 10 30 EFEEHO C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)[C@H]21 ZINC001707189562 1418228204 /nfs/dbraw/zinc/22/82/04/1418228204.db2.gz ULFHWNTVFQTSSW-QRQLOZEOSA-N 1 3 335.536 2.898 10 30 EFEEHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713144594 1418336091 /nfs/dbraw/zinc/33/60/91/1418336091.db2.gz UZEGCQDHYWPVDL-CADBVGFASA-N 1 3 333.520 2.748 10 30 EFEEHO C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN(C)CCCCCC ZINC001713271295 1418438514 /nfs/dbraw/zinc/43/85/14/1418438514.db2.gz IEKVVEBKZWPXGR-VQTJNVASSA-N 1 3 347.547 2.977 10 30 EFEEHO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN(C)CCCCCC ZINC001713271295 1418438518 /nfs/dbraw/zinc/43/85/18/1418438518.db2.gz IEKVVEBKZWPXGR-VQTJNVASSA-N 1 3 347.547 2.977 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001713282951 1418452386 /nfs/dbraw/zinc/45/23/86/1418452386.db2.gz QFJYWFQWVSIWCF-ZWJWXYIHSA-N 1 3 333.520 2.652 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001713282951 1418452388 /nfs/dbraw/zinc/45/23/88/1418452388.db2.gz QFJYWFQWVSIWCF-ZWJWXYIHSA-N 1 3 333.520 2.652 10 30 EFEEHO C=C(Cl)CNCCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001713385271 1418499447 /nfs/dbraw/zinc/49/94/47/1418499447.db2.gz WDULSXVHNRUAMW-CRAIPNDOSA-N 1 3 349.906 2.528 10 30 EFEEHO C=C(Cl)CNCCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001713385271 1418499453 /nfs/dbraw/zinc/49/94/53/1418499453.db2.gz WDULSXVHNRUAMW-CRAIPNDOSA-N 1 3 349.906 2.528 10 30 EFEEHO C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001716784323 1419007074 /nfs/dbraw/zinc/00/70/74/1419007074.db2.gz QZOPMRJIVQIKRH-LPHOPBHVSA-N 1 3 339.499 2.746 10 30 EFEEHO C#CCN(C(=O)CN1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCC(C)C)CC1 ZINC001716811663 1419024570 /nfs/dbraw/zinc/02/45/70/1419024570.db2.gz IATAJHJNEQJRFV-OALUTQOASA-N 1 3 347.547 2.832 10 30 EFEEHO C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001716999577 1419135857 /nfs/dbraw/zinc/13/58/57/1419135857.db2.gz JVWXWZRXWCZWGI-YSTOQKLRSA-N 1 3 345.531 2.633 10 30 EFEEHO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001716999577 1419135862 /nfs/dbraw/zinc/13/58/62/1419135862.db2.gz JVWXWZRXWCZWGI-YSTOQKLRSA-N 1 3 345.531 2.633 10 30 EFEEHO C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC001717006848 1419143183 /nfs/dbraw/zinc/14/31/83/1419143183.db2.gz GNNPNAYRYHRNSM-SFHVURJKSA-N 1 3 329.488 2.523 10 30 EFEEHO C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC001717006847 1419143435 /nfs/dbraw/zinc/14/34/35/1419143435.db2.gz GNNPNAYRYHRNSM-GOSISDBHSA-N 1 3 329.488 2.523 10 30 EFEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001717115866 1419219704 /nfs/dbraw/zinc/21/97/04/1419219704.db2.gz PIVJJIZTQMWBRA-XLIONFOSSA-N 1 3 341.499 2.709 10 30 EFEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)cc1 ZINC001717115866 1419219707 /nfs/dbraw/zinc/21/97/07/1419219707.db2.gz PIVJJIZTQMWBRA-XLIONFOSSA-N 1 3 341.499 2.709 10 30 EFEEHO C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001717122336 1419224371 /nfs/dbraw/zinc/22/43/71/1419224371.db2.gz AGILBNXEXWZCJX-FCGDIQPGSA-N 1 3 335.536 2.948 10 30 EFEEHO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001717122375 1419224497 /nfs/dbraw/zinc/22/44/97/1419224497.db2.gz BZZVIZIAGLSMPO-FHWLQOOXSA-N 1 3 333.520 2.539 10 30 EFEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC3CCCCC3)CCC2)CC1 ZINC001717163004 1419244306 /nfs/dbraw/zinc/24/43/06/1419244306.db2.gz PRSRXQLACAJLPX-UHFFFAOYSA-N 1 3 345.531 2.540 10 30 EFEEHO C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)CN3CC[C@@H](C)C3)cc2C1 ZINC001717271006 1419300142 /nfs/dbraw/zinc/30/01/42/1419300142.db2.gz UBBRVYBADGVHOG-QGZVFWFLSA-N 1 3 341.499 2.926 10 30 EFEEHO C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)CN3CC[C@@H](C)C3)cc2C1 ZINC001717271006 1419300146 /nfs/dbraw/zinc/30/01/46/1419300146.db2.gz UBBRVYBADGVHOG-QGZVFWFLSA-N 1 3 341.499 2.926 10 30 EFEEHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)CC2)CC1 ZINC001717348805 1419347719 /nfs/dbraw/zinc/34/77/19/1419347719.db2.gz VXXZKJMCYJPTAA-UHFFFAOYSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001717625096 1419474755 /nfs/dbraw/zinc/47/47/55/1419474755.db2.gz WMBQLSOZWDREEH-BZSNNMDCSA-N 1 3 335.536 2.757 10 30 EFEEHO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001717625096 1419474756 /nfs/dbraw/zinc/47/47/56/1419474756.db2.gz WMBQLSOZWDREEH-BZSNNMDCSA-N 1 3 335.536 2.757 10 30 EFEEHO C=CCCCCC[N@@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001717703383 1419517088 /nfs/dbraw/zinc/51/70/88/1419517088.db2.gz HJTXVPHLEZHFAL-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCCCC[N@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001717703383 1419517090 /nfs/dbraw/zinc/51/70/90/1419517090.db2.gz HJTXVPHLEZHFAL-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]21 ZINC001717848879 1419577233 /nfs/dbraw/zinc/57/72/33/1419577233.db2.gz KNCNIAYYBKWTNH-CEXWTWQISA-N 1 3 333.520 2.511 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCC(C)C)CC1 ZINC001722955851 1424385061 /nfs/dbraw/zinc/38/50/61/1424385061.db2.gz HISJDXNOXJEEHZ-PMACEKPBSA-N 1 3 347.547 2.642 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCC(C)C)CC1 ZINC001722955859 1424385169 /nfs/dbraw/zinc/38/51/69/1424385169.db2.gz HISJDXNOXJEEHZ-VQTJNVASSA-N 1 3 347.547 2.642 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001723680297 1424556831 /nfs/dbraw/zinc/55/68/31/1424556831.db2.gz NWRWWQQIQXHXCA-IBGZPJMESA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001723680297 1424556836 /nfs/dbraw/zinc/55/68/36/1424556836.db2.gz NWRWWQQIQXHXCA-IBGZPJMESA-N 1 3 333.520 2.751 10 30 EFEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCC(=C)C)CC1 ZINC001724064666 1424642890 /nfs/dbraw/zinc/64/28/90/1424642890.db2.gz HLUSQQYYYDGABS-KDURUIRLSA-N 1 3 345.531 2.752 10 30 EFEEHO CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001724126745 1424668216 /nfs/dbraw/zinc/66/82/16/1424668216.db2.gz WTBOCJDKSFSCQL-NRFANRHFSA-N 1 3 347.547 2.692 10 30 EFEEHO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001724126745 1424668219 /nfs/dbraw/zinc/66/82/19/1424668219.db2.gz WTBOCJDKSFSCQL-NRFANRHFSA-N 1 3 347.547 2.692 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001724189386 1424694363 /nfs/dbraw/zinc/69/43/63/1424694363.db2.gz KGLJYZNEORTCEO-OAQYLSRUSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001724189386 1424694364 /nfs/dbraw/zinc/69/43/64/1424694364.db2.gz KGLJYZNEORTCEO-OAQYLSRUSA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCC[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001724730881 1424953193 /nfs/dbraw/zinc/95/31/93/1424953193.db2.gz VCOCQQFLOVQASS-OALUTQOASA-N 1 3 335.536 2.901 10 30 EFEEHO C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)CN(C)C1CCC1 ZINC001724736632 1424961660 /nfs/dbraw/zinc/96/16/60/1424961660.db2.gz IQTSTEDMDHGSKC-UHFFFAOYSA-N 1 3 329.488 2.795 10 30 EFEEHO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)CN(C)C1CCC1 ZINC001724736632 1424961665 /nfs/dbraw/zinc/96/16/65/1424961665.db2.gz IQTSTEDMDHGSKC-UHFFFAOYSA-N 1 3 329.488 2.795 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001724758876 1424989384 /nfs/dbraw/zinc/98/93/84/1424989384.db2.gz XRUKBNBHCFYQHO-KRWDZBQOSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001724900809 1425120732 /nfs/dbraw/zinc/12/07/32/1425120732.db2.gz RMGWTYCZVMDBJJ-AZUAARDMSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001724900809 1425120742 /nfs/dbraw/zinc/12/07/42/1425120742.db2.gz RMGWTYCZVMDBJJ-AZUAARDMSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001725417419 1425561664 /nfs/dbraw/zinc/56/16/64/1425561664.db2.gz PELMCXUSLOZVNW-PBHICJAKSA-N 1 3 347.906 2.826 10 30 EFEEHO CC[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261997362 722676670 /nfs/dbraw/zinc/67/66/70/722676670.db2.gz SRWBIPRVEDCHCJ-IUODEOHRSA-N 1 3 337.537 2.544 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000908457365 727194281 /nfs/dbraw/zinc/19/42/81/727194281.db2.gz MVIOQGJPNKZKMY-KRWDZBQOSA-N 1 3 335.517 2.635 10 30 EFEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941238651 727926250 /nfs/dbraw/zinc/92/62/50/727926250.db2.gz ZERFZFDITKOKMA-LJQANCHMSA-N 1 3 341.499 2.602 10 30 EFEEHO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941238651 727926253 /nfs/dbraw/zinc/92/62/53/727926253.db2.gz ZERFZFDITKOKMA-LJQANCHMSA-N 1 3 341.499 2.602 10 30 EFEEHO C=CCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801943 728251837 /nfs/dbraw/zinc/25/18/37/728251837.db2.gz ZZAAYLSMQOXKNY-ZWKOTPCHSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801943 728251839 /nfs/dbraw/zinc/25/18/39/728251839.db2.gz ZZAAYLSMQOXKNY-ZWKOTPCHSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801940 728252119 /nfs/dbraw/zinc/25/21/19/728252119.db2.gz ZZAAYLSMQOXKNY-MSOLQXFVSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801940 728252121 /nfs/dbraw/zinc/25/21/21/728252121.db2.gz ZZAAYLSMQOXKNY-MSOLQXFVSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCN1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000941027512 728373793 /nfs/dbraw/zinc/37/37/93/728373793.db2.gz HBNHVCGJGCLLPM-IBGZPJMESA-N 1 3 343.515 2.807 10 30 EFEEHO C=CCN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092144 728398880 /nfs/dbraw/zinc/39/88/80/728398880.db2.gz CCEPHZJHKOORQD-SFHVURJKSA-N 1 3 329.488 2.765 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001569471272 1085268715 /nfs/dbraw/zinc/26/87/15/1085268715.db2.gz ZMMLKKGAFMSXEH-RBUKOAKNSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CN(C)CCC)C2)CC1 ZINC001569800993 1085617581 /nfs/dbraw/zinc/61/75/81/1085617581.db2.gz XVMMXVZHJXJOAV-LJQANCHMSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001570026835 1085875379 /nfs/dbraw/zinc/87/53/79/1085875379.db2.gz LLILUVJXFJLHCC-VQTJNVASSA-N 1 3 341.499 2.938 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001570026835 1085875388 /nfs/dbraw/zinc/87/53/88/1085875388.db2.gz LLILUVJXFJLHCC-VQTJNVASSA-N 1 3 341.499 2.938 10 30 EFEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001570032690 1085885099 /nfs/dbraw/zinc/88/50/99/1085885099.db2.gz AEODYSWWGLKUKB-MSOLQXFVSA-N 1 3 341.499 2.851 10 30 EFEEHO C#CCN[C@H](C)c1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC001570032967 1085886453 /nfs/dbraw/zinc/88/64/53/1085886453.db2.gz ISBINNDQGZKKSM-QGZVFWFLSA-N 1 3 349.478 2.962 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001570475939 1086263501 /nfs/dbraw/zinc/26/35/01/1086263501.db2.gz YHSLXYQFJZDWPG-ROUUACIJSA-N 1 3 341.499 2.577 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001570550910 1086354014 /nfs/dbraw/zinc/35/40/14/1086354014.db2.gz GZNZMJPBFXYUHU-RTBURBONSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001570550910 1086354027 /nfs/dbraw/zinc/35/40/27/1086354027.db2.gz GZNZMJPBFXYUHU-RTBURBONSA-N 1 3 335.536 2.855 10 30 EFEEHO C#CCNC[C@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001570812347 1086533761 /nfs/dbraw/zinc/53/37/61/1086533761.db2.gz PUOHCNHPYMMTRM-PKOBYXMFSA-N 1 3 333.520 2.681 10 30 EFEEHO C#CCNC[C@H](CCCC)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001570812347 1086533769 /nfs/dbraw/zinc/53/37/69/1086533769.db2.gz PUOHCNHPYMMTRM-PKOBYXMFSA-N 1 3 333.520 2.681 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCC)C[C@@]2(C)C1 ZINC001571068103 1086659697 /nfs/dbraw/zinc/65/96/97/1086659697.db2.gz FXLPUFVGXVSOPK-RLLQIKCJSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCC)C[C@@]2(C)C1 ZINC001571068103 1086659707 /nfs/dbraw/zinc/65/97/07/1086659707.db2.gz FXLPUFVGXVSOPK-RLLQIKCJSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001571467033 1086841403 /nfs/dbraw/zinc/84/14/03/1086841403.db2.gz FASURWOJEMLIFN-QFBILLFUSA-N 1 3 329.488 2.907 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001571687151 1087049684 /nfs/dbraw/zinc/04/96/84/1087049684.db2.gz VAGGWJDMUWOPJG-IEBWSBKVSA-N 1 3 333.520 2.962 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001571687151 1087049689 /nfs/dbraw/zinc/04/96/89/1087049689.db2.gz VAGGWJDMUWOPJG-IEBWSBKVSA-N 1 3 333.520 2.962 10 30 EFEEHO CCCN(C)CC(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001267152024 1092928721 /nfs/dbraw/zinc/92/87/21/1092928721.db2.gz HFXIRHGEWXKINF-MRXNPFEDSA-N 1 3 349.906 2.518 10 30 EFEEHO CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001267182141 1093105498 /nfs/dbraw/zinc/10/54/98/1093105498.db2.gz VHBCBYGSLJBIMB-HXUWFJFHSA-N 1 3 341.499 2.746 10 30 EFEEHO CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001267182141 1093105503 /nfs/dbraw/zinc/10/55/03/1093105503.db2.gz VHBCBYGSLJBIMB-HXUWFJFHSA-N 1 3 341.499 2.746 10 30 EFEEHO C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCCN1CC)c1ccccc1 ZINC001267382860 1094429724 /nfs/dbraw/zinc/42/97/24/1094429724.db2.gz VJOIQFJEUYUTCN-RTBURBONSA-N 1 3 329.488 2.884 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CC2=CCCCC2)C(C)C)CC1 ZINC001268227585 1096132535 /nfs/dbraw/zinc/13/25/35/1096132535.db2.gz MMRRRIOWEXWCCA-FQEVSTJZSA-N 1 3 345.531 2.562 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001267601108 1096190564 /nfs/dbraw/zinc/19/05/64/1096190564.db2.gz KKJLQDSDHZGPDI-QGZVFWFLSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001267601108 1096190567 /nfs/dbraw/zinc/19/05/67/1096190567.db2.gz KKJLQDSDHZGPDI-QGZVFWFLSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001268293492 1096280394 /nfs/dbraw/zinc/28/03/94/1096280394.db2.gz CXQPCRIIOPBSJA-RBUKOAKNSA-N 1 3 329.488 2.812 10 30 EFEEHO CC[C@H](CNC(=O)CC[N@H+](C)CC)NCC#Cc1ccc(Cl)cc1 ZINC001481866261 1096825169 /nfs/dbraw/zinc/82/51/69/1096825169.db2.gz OYOSZHSXYAQODO-GOSISDBHSA-N 1 3 349.906 2.518 10 30 EFEEHO CC[C@H](CNC(=O)CC[N@@H+](C)CC)NCC#Cc1ccc(Cl)cc1 ZINC001481866261 1096825182 /nfs/dbraw/zinc/82/51/82/1096825182.db2.gz OYOSZHSXYAQODO-GOSISDBHSA-N 1 3 349.906 2.518 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001481883682 1096856477 /nfs/dbraw/zinc/85/64/77/1096856477.db2.gz YCCQWEPJNJHGAZ-FXAWDEMLSA-N 1 3 341.499 2.577 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]CC/C=C\CC)CCCC2)CC1 ZINC001481913236 1096915765 /nfs/dbraw/zinc/91/57/65/1096915765.db2.gz QUBXFEPCSNKRJH-WAYWQWQTSA-N 1 3 345.531 2.707 10 30 EFEEHO CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001269553591 1098243424 /nfs/dbraw/zinc/24/34/24/1098243424.db2.gz WIRQXZKDDKANAJ-IBGZPJMESA-N 1 3 347.547 2.548 10 30 EFEEHO CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001269553591 1098243430 /nfs/dbraw/zinc/24/34/30/1098243430.db2.gz WIRQXZKDDKANAJ-IBGZPJMESA-N 1 3 347.547 2.548 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001482235499 1098315558 /nfs/dbraw/zinc/31/55/58/1098315558.db2.gz IDJDITFJTNYDAD-CVEARBPZSA-N 1 3 341.927 2.878 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@]2(C[NH2+]CCC=C)CCCC[C@@H]2C)CC1 ZINC001269675952 1098348835 /nfs/dbraw/zinc/34/88/35/1098348835.db2.gz DNAMJPOOPMEQHW-GHTZIAJQSA-N 1 3 345.531 2.562 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@]2(C[NH2+]CCC=C)CCCC[C@H]2C)CC1 ZINC001269675955 1098348883 /nfs/dbraw/zinc/34/88/83/1098348883.db2.gz DNAMJPOOPMEQHW-WIYYLYMNSA-N 1 3 345.531 2.562 10 30 EFEEHO C=CC[NH2+]CCC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001269907666 1098514460 /nfs/dbraw/zinc/51/44/60/1098514460.db2.gz FKCLOXVSWPOCGA-IBGZPJMESA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001267914485 1098605958 /nfs/dbraw/zinc/60/59/58/1098605958.db2.gz HUNJIVVHRNCMEX-ZWKOTPCHSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CC[N@H+]1CCC[C@](C)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001271016429 1100377100 /nfs/dbraw/zinc/37/71/00/1100377100.db2.gz GQYRZLFOVKMQHW-HXUWFJFHSA-N 1 3 329.488 2.766 10 30 EFEEHO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001271016429 1100377106 /nfs/dbraw/zinc/37/71/06/1100377106.db2.gz GQYRZLFOVKMQHW-HXUWFJFHSA-N 1 3 329.488 2.766 10 30 EFEEHO C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001482501415 1102423066 /nfs/dbraw/zinc/42/30/66/1102423066.db2.gz OQMPZVXQJFFEEY-YLJYHZDGSA-N 1 3 341.499 2.602 10 30 EFEEHO CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001266889123 1102600707 /nfs/dbraw/zinc/60/07/07/1102600707.db2.gz IBCYBMLAOUEKDR-RTBURBONSA-N 1 3 333.520 2.587 10 30 EFEEHO CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001266889119 1102600761 /nfs/dbraw/zinc/60/07/61/1102600761.db2.gz IBCYBMLAOUEKDR-OALUTQOASA-N 1 3 333.520 2.587 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001660859789 1103006607 /nfs/dbraw/zinc/00/66/07/1103006607.db2.gz WPTIQEGIMMGYCJ-ICSRJNTNSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001660859789 1103006618 /nfs/dbraw/zinc/00/66/18/1103006618.db2.gz WPTIQEGIMMGYCJ-ICSRJNTNSA-N 1 3 347.547 2.594 10 30 EFEEHO C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001271900772 1103007119 /nfs/dbraw/zinc/00/71/19/1103007119.db2.gz KJWOGXLKKLEQLC-QFBILLFUSA-N 1 3 341.515 2.896 10 30 EFEEHO C=CCCC[NH+]1CCC(N(CCC)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001661094995 1103127590 /nfs/dbraw/zinc/12/75/90/1103127590.db2.gz UZDYKIBXJHXFEM-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001661818182 1103444802 /nfs/dbraw/zinc/44/48/02/1103444802.db2.gz KIXXNXQDEABOKG-LPHOPBHVSA-N 1 3 339.499 2.603 10 30 EFEEHO C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001661978660 1103533145 /nfs/dbraw/zinc/53/31/45/1103533145.db2.gz WMGMSAOIJIUDLZ-UXHICEINSA-N 1 3 345.531 2.731 10 30 EFEEHO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001663528597 1104134878 /nfs/dbraw/zinc/13/48/78/1104134878.db2.gz RFEMBDDNZBXKRR-LPHOPBHVSA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001663528597 1104134883 /nfs/dbraw/zinc/13/48/83/1104134883.db2.gz RFEMBDDNZBXKRR-LPHOPBHVSA-N 1 3 339.499 2.746 10 30 EFEEHO C#CCC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCCC1)c1ccccc1 ZINC001664577977 1104455085 /nfs/dbraw/zinc/45/50/85/1104455085.db2.gz HHQCAEPSOHPNLG-LJQANCHMSA-N 1 3 341.499 2.721 10 30 EFEEHO C#CCC[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCCC1)c1ccccc1 ZINC001664577974 1104455808 /nfs/dbraw/zinc/45/58/08/1104455808.db2.gz HHQCAEPSOHPNLG-IBGZPJMESA-N 1 3 341.499 2.721 10 30 EFEEHO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001272085552 1104807220 /nfs/dbraw/zinc/80/72/20/1104807220.db2.gz QEGNLVSEEXCPCJ-IPMKNSEASA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001272085552 1104807224 /nfs/dbraw/zinc/80/72/24/1104807224.db2.gz QEGNLVSEEXCPCJ-IPMKNSEASA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)C[NH2+]CC1(NC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001665968258 1104817700 /nfs/dbraw/zinc/81/77/00/1104817700.db2.gz COHBCHFAGAGUDW-UHFFFAOYSA-N 1 3 329.488 2.957 10 30 EFEEHO C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001666333410 1104928278 /nfs/dbraw/zinc/92/82/78/1104928278.db2.gz QKVZEKSCBYFIQN-IBGZPJMESA-N 1 3 329.488 2.841 10 30 EFEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CCCCC1 ZINC001667145172 1105062059 /nfs/dbraw/zinc/06/20/59/1105062059.db2.gz YVYCLFCUDKJPDS-UYAOXDASSA-N 1 3 347.547 2.929 10 30 EFEEHO C=C(Cl)CNCC[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001482857062 1105105485 /nfs/dbraw/zinc/10/54/85/1105105485.db2.gz QBESIOGHRPVNDD-HNNXBMFYSA-N 1 3 329.916 2.735 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001667693549 1105180914 /nfs/dbraw/zinc/18/09/14/1105180914.db2.gz IKJSFXNTPZSTAA-SJLPKXTDSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001667693549 1105180917 /nfs/dbraw/zinc/18/09/17/1105180917.db2.gz IKJSFXNTPZSTAA-SJLPKXTDSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001667693545 1105181171 /nfs/dbraw/zinc/18/11/71/1105181171.db2.gz IKJSFXNTPZSTAA-AEFFLSMTSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001667693545 1105181173 /nfs/dbraw/zinc/18/11/73/1105181173.db2.gz IKJSFXNTPZSTAA-AEFFLSMTSA-N 1 3 330.476 2.621 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001669930029 1105547185 /nfs/dbraw/zinc/54/71/85/1105547185.db2.gz HICYABLJAJVGDU-MSOLQXFVSA-N 1 3 341.499 2.529 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001669930029 1105547190 /nfs/dbraw/zinc/54/71/90/1105547190.db2.gz HICYABLJAJVGDU-MSOLQXFVSA-N 1 3 341.499 2.529 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCCC=C)CC1 ZINC001669987208 1105565132 /nfs/dbraw/zinc/56/51/32/1105565132.db2.gz YDWXVQQWQAEFDJ-VQTJNVASSA-N 1 3 345.531 2.562 10 30 EFEEHO C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001670250026 1105604320 /nfs/dbraw/zinc/60/43/20/1105604320.db2.gz RAIJJHPCGMWUHH-VQIMIIECSA-N 1 3 341.515 2.992 10 30 EFEEHO CC#CCNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001671512416 1105649019 /nfs/dbraw/zinc/64/90/19/1105649019.db2.gz HMLYSJVJLQJHJX-RTWAWAEBSA-N 1 3 349.478 2.562 10 30 EFEEHO CC#CCNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001671512416 1105649022 /nfs/dbraw/zinc/64/90/22/1105649022.db2.gz HMLYSJVJLQJHJX-RTWAWAEBSA-N 1 3 349.478 2.562 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC=C(C)C)C2CCCC2)CC1 ZINC001671570309 1105661160 /nfs/dbraw/zinc/66/11/60/1105661160.db2.gz TXGLUXNQOCHDIY-HXUWFJFHSA-N 1 3 345.531 2.562 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001671916404 1105730395 /nfs/dbraw/zinc/73/03/95/1105730395.db2.gz KYMJXTRRPZHFOD-DNVCBOLYSA-N 1 3 332.492 2.834 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001671916404 1105730398 /nfs/dbraw/zinc/73/03/98/1105730398.db2.gz KYMJXTRRPZHFOD-DNVCBOLYSA-N 1 3 332.492 2.834 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@]2(C)CCC[N@H+](CCCC=C)C2)CC1 ZINC001671916379 1105730445 /nfs/dbraw/zinc/73/04/45/1105730445.db2.gz KPFGYMCNYYXCEO-NRFANRHFSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](CCCC=C)C2)CC1 ZINC001671916379 1105730448 /nfs/dbraw/zinc/73/04/48/1105730448.db2.gz KPFGYMCNYYXCEO-NRFANRHFSA-N 1 3 345.531 2.516 10 30 EFEEHO C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001672369237 1105814851 /nfs/dbraw/zinc/81/48/51/1105814851.db2.gz QHNSYLISOQEQED-IYARVYRRSA-N 1 3 335.536 2.949 10 30 EFEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CCC)cc1 ZINC001672938008 1105944706 /nfs/dbraw/zinc/94/47/06/1105944706.db2.gz OUYQNRYCCHDDCP-XLIONFOSSA-N 1 3 341.499 2.851 10 30 EFEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)cc1 ZINC001672938008 1105944709 /nfs/dbraw/zinc/94/47/09/1105944709.db2.gz OUYQNRYCCHDDCP-XLIONFOSSA-N 1 3 341.499 2.851 10 30 EFEEHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001672982663 1105953629 /nfs/dbraw/zinc/95/36/29/1105953629.db2.gz JGZSOLYGXKWUEF-GUDVDZBRSA-N 1 3 333.520 2.537 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001674775895 1106255045 /nfs/dbraw/zinc/25/50/45/1106255045.db2.gz YNXKJIJIZQENMT-MSOLQXFVSA-N 1 3 345.531 2.705 10 30 EFEEHO C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001675793028 1106423727 /nfs/dbraw/zinc/42/37/27/1106423727.db2.gz VZDMUVGNWILHOF-BXWFABGCSA-N 1 3 339.499 2.650 10 30 EFEEHO C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001676249111 1106505872 /nfs/dbraw/zinc/50/58/72/1106505872.db2.gz ILZRRCDAUYFPGU-APWZRJJASA-N 1 3 339.499 2.602 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001483837761 1112513471 /nfs/dbraw/zinc/51/34/71/1112513471.db2.gz OQROXIPKZSISCM-GOSISDBHSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001483989111 1112635411 /nfs/dbraw/zinc/63/54/11/1112635411.db2.gz XEFPPEVZZPMIHX-UYAOXDASSA-N 1 3 349.563 2.935 10 30 EFEEHO C#CCNC[C@H](NC(=O)CCC[NH+](C)C)c1ccc2ccccc2c1 ZINC001483993558 1112642671 /nfs/dbraw/zinc/64/26/71/1112642671.db2.gz XLFJJFVMUULZJW-FQEVSTJZSA-N 1 3 337.467 2.562 10 30 EFEEHO C=CC[NH2+]C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CCCC1 ZINC001484008945 1112657790 /nfs/dbraw/zinc/65/77/90/1112657790.db2.gz IRQZBSXJTGTEJI-LPHOPBHVSA-N 1 3 339.499 2.650 10 30 EFEEHO C=CC[NH2+]C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1CCCC1 ZINC001484014163 1112663856 /nfs/dbraw/zinc/66/38/56/1112663856.db2.gz JAGLFQLFWZXERI-LJQANCHMSA-N 1 3 329.488 2.812 10 30 EFEEHO C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001484019306 1112670774 /nfs/dbraw/zinc/67/07/74/1112670774.db2.gz ACMQGBBGFQBBHP-QUCCMNQESA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001484019306 1112670776 /nfs/dbraw/zinc/67/07/76/1112670776.db2.gz ACMQGBBGFQBBHP-QUCCMNQESA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001485085300 1118024273 /nfs/dbraw/zinc/02/42/73/1118024273.db2.gz ZQVZJVLJUXTQHX-RTBURBONSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001485085300 1118024277 /nfs/dbraw/zinc/02/42/77/1118024277.db2.gz ZQVZJVLJUXTQHX-RTBURBONSA-N 1 3 335.536 2.853 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCCC2CCCC2)CC1 ZINC001485230731 1118156287 /nfs/dbraw/zinc/15/62/87/1118156287.db2.gz XIZYVDKLNDLNGZ-ROUUACIJSA-N 1 3 347.547 2.785 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CCCC(C)(C)C)CC1 ZINC001485387827 1118328227 /nfs/dbraw/zinc/32/82/27/1118328227.db2.gz IXTNFEGEWYAYRF-KRWDZBQOSA-N 1 3 335.536 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCCC(C)(C)C)CC1 ZINC001485387827 1118328230 /nfs/dbraw/zinc/32/82/30/1118328230.db2.gz IXTNFEGEWYAYRF-KRWDZBQOSA-N 1 3 335.536 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]C[C@@H](C)CC)CCCCC2)CC1 ZINC001485459433 1118382984 /nfs/dbraw/zinc/38/29/84/1118382984.db2.gz QVJFQXFPLDVCCP-SFHVURJKSA-N 1 3 347.547 2.786 10 30 EFEEHO C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC001485668534 1118517254 /nfs/dbraw/zinc/51/72/54/1118517254.db2.gz VKZBCHCXKARFLH-SESVDKBCSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC001485668534 1118517256 /nfs/dbraw/zinc/51/72/56/1118517256.db2.gz VKZBCHCXKARFLH-SESVDKBCSA-N 1 3 347.547 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)CC)CC2(C)C)CC1 ZINC000941237444 1118695386 /nfs/dbraw/zinc/69/53/86/1118695386.db2.gz NMKGULZRIKQHSZ-HKUYNNGSSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)CC)CC2(C)C)CC1 ZINC000941237444 1118695389 /nfs/dbraw/zinc/69/53/89/1118695389.db2.gz NMKGULZRIKQHSZ-HKUYNNGSSA-N 1 3 347.547 2.594 10 30 EFEEHO N#Cc1ccc(CNCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)o1 ZINC000174362114 231188755 /nfs/dbraw/zinc/18/87/55/231188755.db2.gz MZUJNUOCKXASHK-FQEVSTJZSA-N 1 3 339.439 2.686 10 30 EFEEHO [NH2+]=C(N[C@@H]1CC12CCCC2)NC1CCN(Cc2ccccc2)CC1 ZINC000263289437 240383617 /nfs/dbraw/zinc/38/36/17/240383617.db2.gz VUGCONGWDJHWDL-GOSISDBHSA-N 1 3 326.488 2.888 10 30 EFEEHO N#Cc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)s1 ZINC000397623214 268072366 /nfs/dbraw/zinc/07/23/66/268072366.db2.gz JTJYGBBRNHYUQZ-UHFFFAOYSA-N 1 3 341.480 2.736 10 30 EFEEHO N#Cc1cccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000397623051 268254154 /nfs/dbraw/zinc/25/41/54/268254154.db2.gz JOZRFEMXLIKWJB-UHFFFAOYSA-N 1 3 335.451 2.675 10 30 EFEEHO C[C@@H](O)C[NH+]1CCC(CN(C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000177133566 473313735 /nfs/dbraw/zinc/31/37/35/473313735.db2.gz SOIYYXGERNRSBZ-MRXNPFEDSA-N 1 3 334.891 2.716 10 30 EFEEHO N#Cc1ccsc1NC(=O)CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000103143673 472615015 /nfs/dbraw/zinc/61/50/15/472615015.db2.gz QUUJQFVZDUEQQR-UHFFFAOYSA-N 1 3 346.500 2.756 10 30 EFEEHO N#Cc1ccc2ncc(CNCCCCC[NH+]3CCCCC3)n2c1 ZINC000123749591 473180691 /nfs/dbraw/zinc/18/06/91/473180691.db2.gz SMWXGEHSPHLNIU-UHFFFAOYSA-N 1 3 325.460 2.952 10 30 EFEEHO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000620302959 480058512 /nfs/dbraw/zinc/05/85/12/480058512.db2.gz DIJDRLAGOMWZAI-BGYRXZFFSA-N 1 3 345.531 2.892 10 30 EFEEHO Cn1cc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1C#N ZINC000310837546 474828509 /nfs/dbraw/zinc/82/85/09/474828509.db2.gz MZPDQXWKCNXPTO-CEWLAPEOSA-N 1 3 334.467 2.897 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000341096417 474970015 /nfs/dbraw/zinc/97/00/15/474970015.db2.gz JOWRCZDFYBACIU-IAGOWNOFSA-N 1 3 336.524 2.589 10 30 EFEEHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358576241 475781901 /nfs/dbraw/zinc/78/19/01/475781901.db2.gz SYJAJYCDEWQYLX-JKSUJKDBSA-N 1 3 332.467 2.622 10 30 EFEEHO C=CCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000354017957 476367898 /nfs/dbraw/zinc/36/78/98/476367898.db2.gz NHZQZEBUMXFDQW-RXVVDRJESA-N 1 3 343.515 2.709 10 30 EFEEHO C=CCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000354017957 476367902 /nfs/dbraw/zinc/36/79/02/476367902.db2.gz NHZQZEBUMXFDQW-RXVVDRJESA-N 1 3 343.515 2.709 10 30 EFEEHO CNC(NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1)=[NH+]C ZINC000363433152 476382522 /nfs/dbraw/zinc/38/25/22/476382522.db2.gz VWLNSNKLANREJT-ZFWWWQNUSA-N 1 3 342.409 2.883 10 30 EFEEHO CC(C)(CCC#N)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397578453 476858662 /nfs/dbraw/zinc/85/86/62/476858662.db2.gz DHPUDUGCHBMQDX-UHFFFAOYSA-N 1 3 329.488 2.933 10 30 EFEEHO C=CCOc1ccccc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415123591 476908338 /nfs/dbraw/zinc/90/83/38/476908338.db2.gz LHUYBUJBFMJGJX-AZUAARDMSA-N 1 3 330.472 2.970 10 30 EFEEHO C=CCOc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415128559 476909840 /nfs/dbraw/zinc/90/98/40/476909840.db2.gz SHQBAPZCEUYEFI-UYAOXDASSA-N 1 3 330.472 2.970 10 30 EFEEHO N#CCCCC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000594441095 478391387 /nfs/dbraw/zinc/39/13/87/478391387.db2.gz MNUCOJYJDGAFDV-IBGZPJMESA-N 1 3 342.487 2.700 10 30 EFEEHO N#CCCCC[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000594441141 478391415 /nfs/dbraw/zinc/39/14/15/478391415.db2.gz NQYQMIJABRYAQP-IBGZPJMESA-N 1 3 342.487 2.700 10 30 EFEEHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405543 479286223 /nfs/dbraw/zinc/28/62/23/479286223.db2.gz YOAGXXIGODPVRC-SJORKVTESA-N 1 3 347.528 2.865 10 30 EFEEHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405543 479286228 /nfs/dbraw/zinc/28/62/28/479286228.db2.gz YOAGXXIGODPVRC-SJORKVTESA-N 1 3 347.528 2.865 10 30 EFEEHO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000651699132 481909246 /nfs/dbraw/zinc/90/92/46/481909246.db2.gz HYHWJEFHWZYVLS-QFBILLFUSA-N 1 3 329.488 2.812 10 30 EFEEHO C=CC[C@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000662719033 481946781 /nfs/dbraw/zinc/94/67/81/481946781.db2.gz VLBDWYIWPPUWMI-FBBABVLZSA-N 1 3 341.499 2.854 10 30 EFEEHO C=CC[C@]1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000662772661 481964820 /nfs/dbraw/zinc/96/48/20/481964820.db2.gz CPAFTZLRXRXLMS-OAHLLOKOSA-N 1 3 327.350 2.801 10 30 EFEEHO C=CC[C@@]1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000662772660 481965195 /nfs/dbraw/zinc/96/51/95/481965195.db2.gz CPAFTZLRXRXLMS-HNNXBMFYSA-N 1 3 327.350 2.801 10 30 EFEEHO C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H](C)[NH+](C)C ZINC000358863669 534440329 /nfs/dbraw/zinc/44/03/29/534440329.db2.gz JHVXIOLHHOQAHB-OAHLLOKOSA-N 1 3 337.537 2.535 10 30 EFEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)sc1Cl ZINC000261983639 535597471 /nfs/dbraw/zinc/59/74/71/535597471.db2.gz JCJDDRHRJRZKGG-JTQLQIEISA-N 1 3 335.304 2.944 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C(F)(F)F ZINC001691935182 1249062585 /nfs/dbraw/zinc/06/25/85/1249062585.db2.gz BQLCQNOVOICEMP-LSDHHAIUSA-N 1 3 349.441 2.519 10 30 EFEEHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691075933 1248363179 /nfs/dbraw/zinc/36/31/79/1248363179.db2.gz WCSPCIDSGJQKOY-OALUTQOASA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001691170981 1248501304 /nfs/dbraw/zinc/50/13/04/1248501304.db2.gz KYGQUSRHQPTLJU-GOSISDBHSA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001691170981 1248501319 /nfs/dbraw/zinc/50/13/19/1248501319.db2.gz KYGQUSRHQPTLJU-GOSISDBHSA-N 1 3 347.547 2.596 10 30 EFEEHO C=CCN[C@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1CC ZINC001484323070 1252391946 /nfs/dbraw/zinc/39/19/46/1252391946.db2.gz KEVQUCHJCSSBEG-HXUWFJFHSA-N 1 3 343.515 2.914 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001272805332 1258193351 /nfs/dbraw/zinc/19/33/51/1258193351.db2.gz OVEUYQFSHYZRGF-ROUUACIJSA-N 1 3 335.536 2.852 10 30 EFEEHO C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001670919576 1258634486 /nfs/dbraw/zinc/63/44/86/1258634486.db2.gz WTSNWKMRWXHLQW-LJQANCHMSA-N 1 3 347.547 2.548 10 30 EFEEHO C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001670919576 1258634495 /nfs/dbraw/zinc/63/44/95/1258634495.db2.gz WTSNWKMRWXHLQW-LJQANCHMSA-N 1 3 347.547 2.548 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC=C)C2CCCCCC2)CC1 ZINC001670980741 1259282682 /nfs/dbraw/zinc/28/26/82/1259282682.db2.gz YWJCFBCEYJUJAM-UHFFFAOYSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC=C)C2CCCCCC2)CC1 ZINC001670980741 1259282685 /nfs/dbraw/zinc/28/26/85/1259282685.db2.gz YWJCFBCEYJUJAM-UHFFFAOYSA-N 1 3 345.531 2.659 10 30 EFEEHO C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001670989001 1259345262 /nfs/dbraw/zinc/34/52/62/1259345262.db2.gz DRMHREWYRYCXLX-UHFFFAOYSA-N 1 3 347.547 2.997 10 30 EFEEHO C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001670989001 1259345268 /nfs/dbraw/zinc/34/52/68/1259345268.db2.gz DRMHREWYRYCXLX-UHFFFAOYSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923501892 1261799636 /nfs/dbraw/zinc/79/96/36/1261799636.db2.gz WPGXLJPPGYYGTE-HRCADAONSA-N 1 3 335.517 2.568 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001671085316 1281423261 /nfs/dbraw/zinc/42/32/61/1281423261.db2.gz OFQQMARERNFCIM-FPOVZHCZSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001671085316 1281423267 /nfs/dbraw/zinc/42/32/67/1281423267.db2.gz OFQQMARERNFCIM-FPOVZHCZSA-N 1 3 347.547 2.997 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000876555242 1290940503 /nfs/dbraw/zinc/94/05/03/1290940503.db2.gz QXAXXCQYQVGFCJ-OAHLLOKOSA-N 1 3 327.900 2.761 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000876745728 1291001321 /nfs/dbraw/zinc/00/13/21/1291001321.db2.gz KSQUOYIZZKHLNY-CQSZACIVSA-N 1 3 336.867 2.601 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000876768990 1291015427 /nfs/dbraw/zinc/01/54/27/1291015427.db2.gz ORQYONROPLHJFL-OAHLLOKOSA-N 1 3 334.851 2.611 10 30 EFEEHO C#CC[N@@H+](CC[C@H]1CCCN1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426043 1294958842 /nfs/dbraw/zinc/95/88/42/1294958842.db2.gz FGECORJFBWGKGX-QGZVFWFLSA-N 1 3 349.519 2.805 10 30 EFEEHO C#CC[N@H+](CC[C@H]1CCCN1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426043 1294958851 /nfs/dbraw/zinc/95/88/51/1294958851.db2.gz FGECORJFBWGKGX-QGZVFWFLSA-N 1 3 349.519 2.805 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)CCCC(C)(C)C)CC1 ZINC001490281740 1298706495 /nfs/dbraw/zinc/70/64/95/1298706495.db2.gz MRHWPELOZNNWNK-UHFFFAOYSA-N 1 3 335.536 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@H+](C)CCCC(C)(C)C)CC1 ZINC001490281740 1298706497 /nfs/dbraw/zinc/70/64/97/1298706497.db2.gz MRHWPELOZNNWNK-UHFFFAOYSA-N 1 3 335.536 2.596 10 30 EFEEHO C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001490765082 1299212722 /nfs/dbraw/zinc/21/27/22/1299212722.db2.gz BYNGJJIAJDWBOT-ROUUACIJSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001490765082 1299212735 /nfs/dbraw/zinc/21/27/35/1299212735.db2.gz BYNGJJIAJDWBOT-ROUUACIJSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000900404476 1308131326 /nfs/dbraw/zinc/13/13/26/1308131326.db2.gz HOJZWZPROLXYRT-IBGZPJMESA-N 1 3 329.488 2.665 10 30 EFEEHO C#CCC[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)C1CCCCCC1 ZINC001277375359 1312076526 /nfs/dbraw/zinc/07/65/26/1312076526.db2.gz ATQQEVOJXBPXFU-IBGZPJMESA-N 1 3 335.536 2.737 10 30 EFEEHO C#CCC[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)C1CCCCCC1 ZINC001277375359 1312076529 /nfs/dbraw/zinc/07/65/29/1312076529.db2.gz ATQQEVOJXBPXFU-IBGZPJMESA-N 1 3 335.536 2.737 10 30 EFEEHO C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001277398222 1312112328 /nfs/dbraw/zinc/11/23/28/1312112328.db2.gz GLGNJNLOVHATDV-FQEVSTJZSA-N 1 3 345.531 2.587 10 30 EFEEHO C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001277398222 1312112331 /nfs/dbraw/zinc/11/23/31/1312112331.db2.gz GLGNJNLOVHATDV-FQEVSTJZSA-N 1 3 345.531 2.587 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001277473880 1312400010 /nfs/dbraw/zinc/40/00/10/1312400010.db2.gz LNMGAZIUPAKTHW-ICSRJNTNSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001277473880 1312400012 /nfs/dbraw/zinc/40/00/12/1312400012.db2.gz LNMGAZIUPAKTHW-ICSRJNTNSA-N 1 3 335.536 2.853 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001278613365 1315293723 /nfs/dbraw/zinc/29/37/23/1315293723.db2.gz KVQCDYOAYUJMRS-IEBWSBKVSA-N 1 3 347.547 2.642 10 30 EFEEHO C#CCN1CCC(C(=O)NCC2(C)CC[NH+](CC=C(C)C)CC2)CC1 ZINC001278636977 1315376466 /nfs/dbraw/zinc/37/64/66/1315376466.db2.gz PPBDIZFDTVNUFR-UHFFFAOYSA-N 1 3 345.531 2.516 10 30 EFEEHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001261261604 1316399603 /nfs/dbraw/zinc/39/96/03/1316399603.db2.gz FLLLSHHUBUZQNP-MOPGFXCFSA-N 1 3 333.520 2.748 10 30 EFEEHO C=C(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001264021110 1316581474 /nfs/dbraw/zinc/58/14/74/1316581474.db2.gz IICXXRJFFYIZKV-SJLPKXTDSA-N 1 3 332.492 2.915 10 30 EFEEHO C=CCN1CCC(N(CCC)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001265340830 1316786199 /nfs/dbraw/zinc/78/61/99/1316786199.db2.gz DATUOTYXGCHXLH-HKUYNNGSSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001265407292 1316800972 /nfs/dbraw/zinc/80/09/72/1316800972.db2.gz WXDXNIXJTXHKGK-AKHDSKFASA-N 1 3 333.520 2.891 10 30 EFEEHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001265407292 1316800974 /nfs/dbraw/zinc/80/09/74/1316800974.db2.gz WXDXNIXJTXHKGK-AKHDSKFASA-N 1 3 333.520 2.891 10 30 EFEEHO C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265624102 1316837305 /nfs/dbraw/zinc/83/73/05/1316837305.db2.gz LAZURKDHIRBVTM-QFBILLFUSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265624103 1316837458 /nfs/dbraw/zinc/83/74/58/1316837458.db2.gz LAZURKDHIRBVTM-VQIMIIECSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001266110103 1317049044 /nfs/dbraw/zinc/04/90/44/1317049044.db2.gz ANRWPGIVRFKFMD-QFBILLFUSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001266110103 1317049050 /nfs/dbraw/zinc/04/90/50/1317049050.db2.gz ANRWPGIVRFKFMD-QFBILLFUSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCNCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)c(F)c1 ZINC001279716000 1317368496 /nfs/dbraw/zinc/36/84/96/1317368496.db2.gz LWCRGIVXCJKXGQ-GOSISDBHSA-N 1 3 347.478 2.840 10 30 EFEEHO C=CCNCc1ccc(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)c(F)c1 ZINC001279716000 1317368504 /nfs/dbraw/zinc/36/85/04/1317368504.db2.gz LWCRGIVXCJKXGQ-GOSISDBHSA-N 1 3 347.478 2.840 10 30 EFEEHO C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001281906418 1318620965 /nfs/dbraw/zinc/62/09/65/1318620965.db2.gz WNXFRESMJFBJLA-RTBURBONSA-N 1 3 341.499 2.809 10 30 EFEEHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001281912614 1318623677 /nfs/dbraw/zinc/62/36/77/1318623677.db2.gz PORJDKPKZVVXHM-AQNXPRMDSA-N 1 3 341.499 2.665 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001281975849 1318642344 /nfs/dbraw/zinc/64/23/44/1318642344.db2.gz QVQRIWMOEMCQRE-OALUTQOASA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001281975849 1318642358 /nfs/dbraw/zinc/64/23/58/1318642358.db2.gz QVQRIWMOEMCQRE-OALUTQOASA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001281975848 1318642587 /nfs/dbraw/zinc/64/25/87/1318642587.db2.gz QVQRIWMOEMCQRE-MOPGFXCFSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001281975848 1318642596 /nfs/dbraw/zinc/64/25/96/1318642596.db2.gz QVQRIWMOEMCQRE-MOPGFXCFSA-N 1 3 347.547 2.997 10 30 EFEEHO C=C(C)CC[NH2+]CC1CC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001282059428 1318691715 /nfs/dbraw/zinc/69/17/15/1318691715.db2.gz ZWMHZIQSBFCPCL-RJYAGPCLSA-N 1 3 339.499 2.650 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001319144146 1328789717 /nfs/dbraw/zinc/78/97/17/1328789717.db2.gz BFNYMJYKLYJDLP-SFHVURJKSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001319144146 1328789724 /nfs/dbraw/zinc/78/97/24/1328789724.db2.gz BFNYMJYKLYJDLP-SFHVURJKSA-N 1 3 333.520 2.751 10 30 EFEEHO CC#CC[NH2+]CC1(NC(=O)[C@H](C)N2CCCCCC2)CCCCC1 ZINC001282623505 1319035065 /nfs/dbraw/zinc/03/50/65/1319035065.db2.gz CBXUCCRPMSMLNJ-SFHVURJKSA-N 1 3 333.520 2.683 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCCC(C)C)C2)CC1 ZINC001284242097 1320282955 /nfs/dbraw/zinc/28/29/55/1320282955.db2.gz DMYCVKFIEOLADE-QUCCMNQESA-N 1 3 347.547 2.642 10 30 EFEEHO C=C(C)C[NH2+]C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001284633756 1320449979 /nfs/dbraw/zinc/44/99/79/1320449979.db2.gz ZTNFKLVLCPNGRL-HNAYVOBHSA-N 1 3 341.515 2.896 10 30 EFEEHO CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001319867559 1329022032 /nfs/dbraw/zinc/02/20/32/1329022032.db2.gz FUXNCEXWALCLSC-YLJYHZDGSA-N 1 3 341.499 2.602 10 30 EFEEHO C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001320184575 1329102092 /nfs/dbraw/zinc/10/20/92/1329102092.db2.gz PVYQKLFLXYXOLD-MOPGFXCFSA-N 1 3 329.488 2.812 10 30 EFEEHO C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NCC#Cc1ccccc1 ZINC001491612743 1323747387 /nfs/dbraw/zinc/74/73/87/1323747387.db2.gz YTKURIWLWABSSF-SFHVURJKSA-N 1 3 349.478 2.508 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001316718286 1325045123 /nfs/dbraw/zinc/04/51/23/1325045123.db2.gz BRFARPHPNVQZRZ-QRQLOZEOSA-N 1 3 333.520 2.652 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001316718286 1325045130 /nfs/dbraw/zinc/04/51/30/1325045130.db2.gz BRFARPHPNVQZRZ-QRQLOZEOSA-N 1 3 333.520 2.652 10 30 EFEEHO C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCCN1C(C)C ZINC001316714518 1325092230 /nfs/dbraw/zinc/09/22/30/1325092230.db2.gz UOMVNNSTBZTINM-VAMGGRTRSA-N 1 3 347.547 2.879 10 30 EFEEHO CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001317099795 1325563658 /nfs/dbraw/zinc/56/36/58/1325563658.db2.gz JVMBDHUFQUZJTL-UXHICEINSA-N 1 3 345.531 2.589 10 30 EFEEHO C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+](CCC)CCC)C1 ZINC001317102246 1325568610 /nfs/dbraw/zinc/56/86/10/1325568610.db2.gz AUSRBVDSQUYIAF-PMACEKPBSA-N 1 3 347.547 2.835 10 30 EFEEHO C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+](CCC)CCC)C1 ZINC001317102249 1325568861 /nfs/dbraw/zinc/56/88/61/1325568861.db2.gz AUSRBVDSQUYIAF-WOJBJXKFSA-N 1 3 347.547 2.835 10 30 EFEEHO C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001317208787 1327746743 /nfs/dbraw/zinc/74/67/43/1327746743.db2.gz NRXJRARBAWKXHH-PMACEKPBSA-N 1 3 345.531 2.731 10 30 EFEEHO C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)NCC#Cc1ccccc1 ZINC001317293543 1327827479 /nfs/dbraw/zinc/82/74/79/1327827479.db2.gz HBZPEGPQOLCBBG-SFHVURJKSA-N 1 3 349.478 2.508 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CCC)CC2CC(C)(C)C2)CC1 ZINC001317546096 1328129635 /nfs/dbraw/zinc/12/96/35/1328129635.db2.gz MQONTDKAJKYMEW-UHFFFAOYSA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@H+](CCC)CC2CC(C)(C)C2)CC1 ZINC001317546096 1328129644 /nfs/dbraw/zinc/12/96/44/1328129644.db2.gz MQONTDKAJKYMEW-UHFFFAOYSA-N 1 3 347.547 2.596 10 30 EFEEHO C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001323540449 1329550326 /nfs/dbraw/zinc/55/03/26/1329550326.db2.gz CUHBCNZVAGSJHP-BEFAXECRSA-N 1 3 339.499 2.792 10 30 EFEEHO C=CCCC[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001323832286 1329576283 /nfs/dbraw/zinc/57/62/83/1329576283.db2.gz MYVVMKFWFZPDBA-SFHVURJKSA-N 1 3 333.520 2.609 10 30 EFEEHO C#CCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CCCC(C)C)CC1 ZINC001324419778 1329625504 /nfs/dbraw/zinc/62/55/04/1329625504.db2.gz FKEBPWJPQZYPDG-LJQANCHMSA-N 1 3 347.547 2.691 10 30 EFEEHO C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001325708589 1329708083 /nfs/dbraw/zinc/70/80/83/1329708083.db2.gz RDFNOXXPYKUYDN-OALUTQOASA-N 1 3 341.499 2.501 10 30 EFEEHO C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001325946247 1329727029 /nfs/dbraw/zinc/72/70/29/1329727029.db2.gz NIPDICFWHGVPRC-IPMKNSEASA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001325946247 1329727030 /nfs/dbraw/zinc/72/70/30/1329727030.db2.gz NIPDICFWHGVPRC-IPMKNSEASA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001326467028 1329758918 /nfs/dbraw/zinc/75/89/18/1329758918.db2.gz DWPWGXBXLXXBPL-FXAWDEMLSA-N 1 3 341.499 2.707 10 30 EFEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001326467028 1329758919 /nfs/dbraw/zinc/75/89/19/1329758919.db2.gz DWPWGXBXLXXBPL-FXAWDEMLSA-N 1 3 341.499 2.707 10 30 EFEEHO C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001330513877 1330763752 /nfs/dbraw/zinc/76/37/52/1330763752.db2.gz FKRFHIBZRBMJRT-GOSISDBHSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001330513877 1330763755 /nfs/dbraw/zinc/76/37/55/1330763755.db2.gz FKRFHIBZRBMJRT-GOSISDBHSA-N 1 3 333.520 2.751 10 30 EFEEHO CC#CCN1CC[C@@]2(NC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@H]12 ZINC001332101298 1330920519 /nfs/dbraw/zinc/92/05/19/1330920519.db2.gz SXPJDTUNRWGNOK-FPOVZHCZSA-N 1 3 345.531 2.778 10 30 EFEEHO CC#CCN1CC[C@@]2(NC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@H]12 ZINC001332101298 1330920520 /nfs/dbraw/zinc/92/05/20/1330920520.db2.gz SXPJDTUNRWGNOK-FPOVZHCZSA-N 1 3 345.531 2.778 10 30 EFEEHO C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]21 ZINC001332151107 1330929329 /nfs/dbraw/zinc/92/93/29/1330929329.db2.gz YGZKHFCVIUGITK-OKZBNKHCSA-N 1 3 335.536 2.757 10 30 EFEEHO C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C ZINC001332453967 1330973777 /nfs/dbraw/zinc/97/37/77/1330973777.db2.gz RENUPVPCKAWWEK-GOSISDBHSA-N 1 3 329.488 2.765 10 30 EFEEHO C=CCC[NH2+]C[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001332859665 1331032413 /nfs/dbraw/zinc/03/24/13/1331032413.db2.gz ZAFZARKAMUZLEE-BEFAXECRSA-N 1 3 341.515 2.896 10 30 EFEEHO C=CCC[NH2+]C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001332859668 1331032667 /nfs/dbraw/zinc/03/26/67/1331032667.db2.gz ZAFZARKAMUZLEE-KXBFYZLASA-N 1 3 341.515 2.896 10 30 EFEEHO C=CCC[NH2+]Cc1ccc(CNC(=O)C(C)(C)N2CCCC2)c(F)c1 ZINC001333473628 1331152073 /nfs/dbraw/zinc/15/20/73/1331152073.db2.gz PVDANEXLDRBAJX-UHFFFAOYSA-N 1 3 347.478 2.982 10 30 EFEEHO C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001381129912 1348097789 /nfs/dbraw/zinc/09/77/89/1348097789.db2.gz XXGYTCCITSXNBA-UHFFFAOYSA-N 1 3 329.916 2.688 10 30 EFEEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001382542027 1349007865 /nfs/dbraw/zinc/00/78/65/1349007865.db2.gz SNQHTKKEMTWKQP-GOSISDBHSA-N 1 3 344.503 2.519 10 30 EFEEHO C=C(Cl)CNC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CCCC1 ZINC001393074198 1356562994 /nfs/dbraw/zinc/56/29/94/1356562994.db2.gz UQNNBLLECSGDNL-SJORKVTESA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CNC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CCCC1 ZINC001393074198 1356562995 /nfs/dbraw/zinc/56/29/95/1356562995.db2.gz UQNNBLLECSGDNL-SJORKVTESA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001402677126 1363926906 /nfs/dbraw/zinc/92/69/06/1363926906.db2.gz FUNCSTVUEJMYQY-OAHLLOKOSA-N 1 3 347.906 2.780 10 30 EFEEHO C=C(Cl)CN1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001402926490 1364141498 /nfs/dbraw/zinc/14/14/98/1364141498.db2.gz GEHBWISJWXHGPW-KRWDZBQOSA-N 1 3 341.927 2.641 10 30 EFEEHO C=C(Cl)C[NH2+][C@@H](CCNC(=O)[C@H]1CCCN1C)Cc1ccccc1 ZINC001403807260 1364962100 /nfs/dbraw/zinc/96/21/00/1364962100.db2.gz TWFJDTSRTPVYJA-ZWKOTPCHSA-N 1 3 349.906 2.540 10 30 EFEEHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C)N(C)C ZINC001403988146 1365137803 /nfs/dbraw/zinc/13/78/03/1365137803.db2.gz LMQYGLUKOWNGOU-QZTJIDSGSA-N 1 3 344.503 2.519 10 30 EFEEHO C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001407988106 1369499156 /nfs/dbraw/zinc/49/91/56/1369499156.db2.gz WQWQTPMRYYXJEE-UHFFFAOYSA-N 1 3 341.927 2.832 10 30 EFEEHO C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001408001964 1369513119 /nfs/dbraw/zinc/51/31/19/1369513119.db2.gz SOTUOOPBUYCKNG-HNNXBMFYSA-N 1 3 329.916 2.686 10 30 EFEEHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC001426160895 1384036214 /nfs/dbraw/zinc/03/62/14/1384036214.db2.gz DRVMKRJDLXXFPN-GOSISDBHSA-N 1 3 344.503 2.519 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001479501652 1397739153 /nfs/dbraw/zinc/73/91/53/1397739153.db2.gz LWYYZHCEWHUMMU-MOPGFXCFSA-N 1 3 347.547 2.997 10 30 EFEEHO C#CCN1CCC2(C[C@@H](C)N(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001479504710 1397739777 /nfs/dbraw/zinc/73/97/77/1397739777.db2.gz UGMCEBMLKSEJLT-LJQANCHMSA-N 1 3 345.531 2.589 10 30 EFEEHO C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001479994225 1398080045 /nfs/dbraw/zinc/08/00/45/1398080045.db2.gz HTSSOFZKKIJCIA-ROUUACIJSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001479994225 1398080052 /nfs/dbraw/zinc/08/00/52/1398080052.db2.gz HTSSOFZKKIJCIA-ROUUACIJSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CCCC(C)(C)C)C2CC2)CC1 ZINC001480065750 1398109377 /nfs/dbraw/zinc/10/93/77/1398109377.db2.gz KNODVWKDJOLEKM-IBGZPJMESA-N 1 3 347.547 2.642 10 30 EFEEHO C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]21 ZINC001507361162 1406953197 /nfs/dbraw/zinc/95/31/97/1406953197.db2.gz AUWPGNAAQQXAKG-KZNAEPCWSA-N 1 3 335.536 2.757 10 30 EFEEHO C=CCC[NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001493891612 1398957823 /nfs/dbraw/zinc/95/78/23/1398957823.db2.gz DORUHCFQBVHWPQ-GOSISDBHSA-N 1 3 329.488 2.884 10 30 EFEEHO C=CCN[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001493901800 1398967135 /nfs/dbraw/zinc/96/71/35/1398967135.db2.gz YIMBSPZWXBJLHP-IBGZPJMESA-N 1 3 329.488 2.740 10 30 EFEEHO C=C(C)CN1CC[C@H](N(CCC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001493970669 1399023925 /nfs/dbraw/zinc/02/39/25/1399023925.db2.gz HAEVYZMAUDDKGC-FQEVSTJZSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001495490212 1400024391 /nfs/dbraw/zinc/02/43/91/1400024391.db2.gz WTVWCOOXDDKYGH-UHFFFAOYSA-N 1 3 329.488 2.843 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001495974440 1400392192 /nfs/dbraw/zinc/39/21/92/1400392192.db2.gz SDPGYYPQEZMCGH-KRWDZBQOSA-N 1 3 333.520 2.750 10 30 EFEEHO C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CN(C)CCCCCC)CC2 ZINC001495986802 1400398734 /nfs/dbraw/zinc/39/87/34/1400398734.db2.gz NJXVXKMELGZXNM-UHFFFAOYSA-N 1 3 335.536 2.999 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC/C=C/CC)CC1 ZINC001496918677 1401101628 /nfs/dbraw/zinc/10/16/28/1401101628.db2.gz QKCWEQXIWBUTDV-BGEOSOQGSA-N 1 3 345.531 2.562 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001497331631 1401307737 /nfs/dbraw/zinc/30/77/37/1401307737.db2.gz MXXUMXMGFOXJMC-MSOLQXFVSA-N 1 3 341.499 2.577 10 30 EFEEHO C#CCN(C(=O)[C@H]1CCCN1C(C)C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001500037224 1402908527 /nfs/dbraw/zinc/90/85/27/1402908527.db2.gz CJABPPIILKRRGN-AZUAARDMSA-N 1 3 347.547 2.832 10 30 EFEEHO C#CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CCN(CC(=C)C)CC1 ZINC001500051926 1402914700 /nfs/dbraw/zinc/91/47/00/1402914700.db2.gz MZXWYCIZDXWJGG-AZUAARDMSA-N 1 3 343.515 2.506 10 30 EFEEHO C#CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CCN(CC(=C)C)CC1 ZINC001500051926 1402914702 /nfs/dbraw/zinc/91/47/02/1402914702.db2.gz MZXWYCIZDXWJGG-AZUAARDMSA-N 1 3 343.515 2.506 10 30 EFEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@H]1C)C1CC[NH+](CCCC)CC1 ZINC001500057542 1402916569 /nfs/dbraw/zinc/91/65/69/1402916569.db2.gz IWSRDARPQMHADA-QZTJIDSGSA-N 1 3 333.520 2.586 10 30 EFEEHO C#CCN(C(=O)CCC[NH+]1CCCCC1)C1CCN(CC(=C)C)CC1 ZINC001500056984 1402916720 /nfs/dbraw/zinc/91/67/20/1402916720.db2.gz AJMGOTQNNUBSMU-UHFFFAOYSA-N 1 3 345.531 2.755 10 30 EFEEHO C=C(C)C[NH+]1CCC(C2(NC(=O)CN(C)CC(C)(C)C)CC2)CC1 ZINC001508166426 1407327351 /nfs/dbraw/zinc/32/73/51/1407327351.db2.gz QRBVOYVPPXXMLA-UHFFFAOYSA-N 1 3 335.536 2.901 10 30 EFEEHO C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC001501668725 1403691550 /nfs/dbraw/zinc/69/15/50/1403691550.db2.gz LDBPIZTWXLXBTQ-QGZVFWFLSA-N 1 3 329.488 2.653 10 30 EFEEHO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC001501668725 1403691560 /nfs/dbraw/zinc/69/15/60/1403691560.db2.gz LDBPIZTWXLXBTQ-QGZVFWFLSA-N 1 3 329.488 2.653 10 30 EFEEHO C=C(C)C[N@H+]1CCc2c(CNC(=O)C3(N(C)C)CCC3)cccc2C1 ZINC001501854061 1403827519 /nfs/dbraw/zinc/82/75/19/1403827519.db2.gz KKCGCJJHQAZOTR-UHFFFAOYSA-N 1 3 341.499 2.721 10 30 EFEEHO C=C(C)C[N@@H+]1CCc2c(CNC(=O)C3(N(C)C)CCC3)cccc2C1 ZINC001501854061 1403827525 /nfs/dbraw/zinc/82/75/25/1403827525.db2.gz KKCGCJJHQAZOTR-UHFFFAOYSA-N 1 3 341.499 2.721 10 30 EFEEHO C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001502545671 1404236041 /nfs/dbraw/zinc/23/60/41/1404236041.db2.gz FKBFJCWRGOYSNW-ICSRJNTNSA-N 1 3 333.520 2.609 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001502545671 1404236050 /nfs/dbraw/zinc/23/60/50/1404236050.db2.gz FKBFJCWRGOYSNW-ICSRJNTNSA-N 1 3 333.520 2.609 10 30 EFEEHO CC#CCN1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001502830010 1404382567 /nfs/dbraw/zinc/38/25/67/1404382567.db2.gz CHHSFMAXZNFVAF-IBGZPJMESA-N 1 3 347.547 2.881 10 30 EFEEHO CC#CCN1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001502830010 1404382575 /nfs/dbraw/zinc/38/25/75/1404382575.db2.gz CHHSFMAXZNFVAF-IBGZPJMESA-N 1 3 347.547 2.881 10 30 EFEEHO C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001505415493 1404575482 /nfs/dbraw/zinc/57/54/82/1404575482.db2.gz PGSWTQNNHPPNFR-CEXWTWQISA-N 1 3 329.488 2.665 10 30 EFEEHO C#CCN1CCC(C(=O)NC2CC(C[NH2+]CCCC(C)(C)C)C2)CC1 ZINC001505538095 1404748774 /nfs/dbraw/zinc/74/87/74/1404748774.db2.gz WBYUZIRTTCEGHS-UHFFFAOYSA-N 1 3 347.547 2.642 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CCCC2CCCC2)CC1 ZINC001506064826 1405423853 /nfs/dbraw/zinc/42/38/53/1405423853.db2.gz DFBMBUQFCHNCPZ-SFHVURJKSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCCC2CCCC2)CC1 ZINC001506064826 1405423856 /nfs/dbraw/zinc/42/38/56/1405423856.db2.gz DFBMBUQFCHNCPZ-SFHVURJKSA-N 1 3 347.547 2.739 10 30 EFEEHO C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001565942365 1415460995 /nfs/dbraw/zinc/46/09/95/1415460995.db2.gz YELKKVSXRPBXLR-HOCLYGCPSA-N 1 3 329.916 2.688 10 30 EFEEHO C=C(Cl)CNCC[C@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001565942365 1415460997 /nfs/dbraw/zinc/46/09/97/1415460997.db2.gz YELKKVSXRPBXLR-HOCLYGCPSA-N 1 3 329.916 2.688 10 30 EFEEHO CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001565978949 1415468514 /nfs/dbraw/zinc/46/85/14/1415468514.db2.gz BBZBSROIJIJCRJ-XLIONFOSSA-N 1 3 341.499 2.602 10 30 EFEEHO C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001565986680 1415471033 /nfs/dbraw/zinc/47/10/33/1415471033.db2.gz JUEHMJBYXOKKDI-IPMKNSEASA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001566002270 1415478965 /nfs/dbraw/zinc/47/89/65/1415478965.db2.gz VTYOLRLXDNLBFO-CABCVRRESA-N 1 3 349.441 2.519 10 30 EFEEHO C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566535643 1415622929 /nfs/dbraw/zinc/62/29/29/1415622929.db2.gz SSIZUDUGZXAMBG-HOTGVXAUSA-N 1 3 329.916 2.830 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC(C)C)CC1 ZINC001566930390 1415854225 /nfs/dbraw/zinc/85/42/25/1415854225.db2.gz WMVDCBAGVWAHFG-FQEVSTJZSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC(C)C)CC1 ZINC001566930390 1415854234 /nfs/dbraw/zinc/85/42/34/1415854234.db2.gz WMVDCBAGVWAHFG-FQEVSTJZSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCCC(C)C)CC1 ZINC001566930391 1415854663 /nfs/dbraw/zinc/85/46/63/1415854663.db2.gz WMVDCBAGVWAHFG-HXUWFJFHSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC(C)C)CC1 ZINC001566930391 1415854666 /nfs/dbraw/zinc/85/46/66/1415854666.db2.gz WMVDCBAGVWAHFG-HXUWFJFHSA-N 1 3 347.547 2.739 10 30 EFEEHO CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001567263707 1416040553 /nfs/dbraw/zinc/04/05/53/1416040553.db2.gz ZUNIKYWQEYAWKN-RBUKOAKNSA-N 1 3 333.520 2.633 10 30 EFEEHO CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001567263707 1416040557 /nfs/dbraw/zinc/04/05/57/1416040557.db2.gz ZUNIKYWQEYAWKN-RBUKOAKNSA-N 1 3 333.520 2.633 10 30 EFEEHO CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001567263705 1416041395 /nfs/dbraw/zinc/04/13/95/1416041395.db2.gz ZUNIKYWQEYAWKN-MOPGFXCFSA-N 1 3 333.520 2.633 10 30 EFEEHO CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001567263705 1416041402 /nfs/dbraw/zinc/04/14/02/1416041402.db2.gz ZUNIKYWQEYAWKN-MOPGFXCFSA-N 1 3 333.520 2.633 10 30 EFEEHO C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001567685215 1416246596 /nfs/dbraw/zinc/24/65/96/1416246596.db2.gz BJUBWDYRKBIGGY-RTBURBONSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001567685215 1416246599 /nfs/dbraw/zinc/24/65/99/1416246599.db2.gz BJUBWDYRKBIGGY-RTBURBONSA-N 1 3 335.536 2.997 10 30 EFEEHO CC#CC[NH2+]C[C@@]1(NC(=O)CN(C)CC(C)(C)C)CCCC[C@@H]1C ZINC001568040093 1416371756 /nfs/dbraw/zinc/37/17/56/1416371756.db2.gz JEPWDTGEANYMBN-PXNSSMCTSA-N 1 3 335.536 2.642 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001568154976 1416427423 /nfs/dbraw/zinc/42/74/23/1416427423.db2.gz BKJZPJMSEKPHID-OALUTQOASA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001568154976 1416427425 /nfs/dbraw/zinc/42/74/25/1416427425.db2.gz BKJZPJMSEKPHID-OALUTQOASA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001568157909 1416428853 /nfs/dbraw/zinc/42/88/53/1416428853.db2.gz HEFKFRDDCOHYRJ-ZWKOTPCHSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)N(C)C)CC2 ZINC001568157909 1416428858 /nfs/dbraw/zinc/42/88/58/1416428858.db2.gz HEFKFRDDCOHYRJ-ZWKOTPCHSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[C@H]2CCC[N@H+]2CC=C(C)C)CC1 ZINC001690919359 1417246044 /nfs/dbraw/zinc/24/60/44/1417246044.db2.gz LTYUAMDPPBILBC-FQEVSTJZSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CC=C(C)C)CC1 ZINC001690919359 1417246046 /nfs/dbraw/zinc/24/60/46/1417246046.db2.gz LTYUAMDPPBILBC-FQEVSTJZSA-N 1 3 345.531 2.659 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)c1ccccc1 ZINC001691791893 1417247721 /nfs/dbraw/zinc/24/77/21/1417247721.db2.gz JKMFLAIQJJOPAR-OALUTQOASA-N 1 3 329.488 2.742 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC001691791893 1417247724 /nfs/dbraw/zinc/24/77/24/1417247724.db2.gz JKMFLAIQJJOPAR-OALUTQOASA-N 1 3 329.488 2.742 10 30 EFEEHO C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001698940557 1417351332 /nfs/dbraw/zinc/35/13/32/1417351332.db2.gz UGNCOFSXZLOHLR-VQIMIIECSA-N 1 3 329.488 2.765 10 30 EFEEHO C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001699672805 1417445915 /nfs/dbraw/zinc/44/59/15/1417445915.db2.gz FITVQLMJEFABSQ-WOJBJXKFSA-N 1 3 345.531 2.589 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001699929800 1417511030 /nfs/dbraw/zinc/51/10/30/1417511030.db2.gz AJPLHINJJYOCGA-PXNSSMCTSA-N 1 3 343.515 2.914 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001699929800 1417511036 /nfs/dbraw/zinc/51/10/36/1417511036.db2.gz AJPLHINJJYOCGA-PXNSSMCTSA-N 1 3 343.515 2.914 10 30 EFEEHO C=CCN1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001700863995 1417666237 /nfs/dbraw/zinc/66/62/37/1417666237.db2.gz CLIQXYDLGVZGSZ-YLJYHZDGSA-N 1 3 333.520 2.798 10 30 EFEEHO C=CCC[NH2+]C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001713246731 1418415062 /nfs/dbraw/zinc/41/50/62/1418415062.db2.gz SKPVTGDVGFCMKE-GOSISDBHSA-N 1 3 329.488 2.766 10 30 EFEEHO C=C(Cl)CNCCc1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001713386865 1418500664 /nfs/dbraw/zinc/50/06/64/1418500664.db2.gz QDQCWVZZNBLIJG-SFHVURJKSA-N 1 3 349.906 2.529 10 30 EFEEHO C=C(Cl)CNCCc1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001713386865 1418500666 /nfs/dbraw/zinc/50/06/66/1418500666.db2.gz QDQCWVZZNBLIJG-SFHVURJKSA-N 1 3 349.906 2.529 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001716706324 1418965674 /nfs/dbraw/zinc/96/56/74/1418965674.db2.gz NRXISSBOSCANIC-WMZOPIPTSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001716706324 1418965675 /nfs/dbraw/zinc/96/56/75/1418965675.db2.gz NRXISSBOSCANIC-WMZOPIPTSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001716706321 1418965689 /nfs/dbraw/zinc/96/56/89/1418965689.db2.gz NRXISSBOSCANIC-AEFFLSMTSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001716706321 1418965690 /nfs/dbraw/zinc/96/56/90/1418965690.db2.gz NRXISSBOSCANIC-AEFFLSMTSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001716708482 1418966783 /nfs/dbraw/zinc/96/67/83/1418966783.db2.gz HMGDUCJGBWQPIY-MVCQKVDPSA-N 1 3 333.520 2.796 10 30 EFEEHO C#CCN(C(=O)CC[N@@H+](C)CCC)C1CCN(CC=C(C)C)CC1 ZINC001716810850 1419024318 /nfs/dbraw/zinc/02/43/18/1419024318.db2.gz FSSINAIYCGXGFV-UHFFFAOYSA-N 1 3 333.520 2.611 10 30 EFEEHO C#CCN(C(=O)CC[N@H+](C)CCC)C1CCN(CC=C(C)C)CC1 ZINC001716810850 1419024323 /nfs/dbraw/zinc/02/43/23/1419024323.db2.gz FSSINAIYCGXGFV-UHFFFAOYSA-N 1 3 333.520 2.611 10 30 EFEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@H]1C)C1CC[NH+](CCC(C)C)CC1 ZINC001716811664 1419024854 /nfs/dbraw/zinc/02/48/54/1419024854.db2.gz IATAJHJNEQJRFV-RTBURBONSA-N 1 3 347.547 2.832 10 30 EFEEHO C=CCN1CCC[C@](C)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001716900464 1419086240 /nfs/dbraw/zinc/08/62/40/1419086240.db2.gz YGMUHYNIJNOJTP-OAQYLSRUSA-N 1 3 343.515 2.809 10 30 EFEEHO C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001716999576 1419136051 /nfs/dbraw/zinc/13/60/51/1419136051.db2.gz JVWXWZRXWCZWGI-HAGHYFMRSA-N 1 3 345.531 2.633 10 30 EFEEHO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001716999576 1419136057 /nfs/dbraw/zinc/13/60/57/1419136057.db2.gz JVWXWZRXWCZWGI-HAGHYFMRSA-N 1 3 345.531 2.633 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001717110938 1419216105 /nfs/dbraw/zinc/21/61/05/1419216105.db2.gz KIAKVMNENHQISK-SJORKVTESA-N 1 3 341.927 2.688 10 30 EFEEHO C#CCCN(C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001717112936 1419217141 /nfs/dbraw/zinc/21/71/41/1419217141.db2.gz QNMXCHBGFMEDNJ-HXUWFJFHSA-N 1 3 341.499 2.632 10 30 EFEEHO C#CCCN(C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001717112936 1419217145 /nfs/dbraw/zinc/21/71/45/1419217145.db2.gz QNMXCHBGFMEDNJ-HXUWFJFHSA-N 1 3 341.499 2.632 10 30 EFEEHO CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001717115171 1419219339 /nfs/dbraw/zinc/21/93/39/1419219339.db2.gz KBNZQPMJEJPUDQ-KRWDZBQOSA-N 1 3 343.515 2.955 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001717629821 1419478680 /nfs/dbraw/zinc/47/86/80/1419478680.db2.gz XOQCUXFTANUTQK-MSOLQXFVSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001717629821 1419478682 /nfs/dbraw/zinc/47/86/82/1419478682.db2.gz XOQCUXFTANUTQK-MSOLQXFVSA-N 1 3 333.520 2.607 10 30 EFEEHO CC[C@H](C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1)[NH+](CC)CC ZINC001717740982 1419532280 /nfs/dbraw/zinc/53/22/80/1419532280.db2.gz JQNNSWJYLDFWQA-UYAOXDASSA-N 1 3 343.515 2.595 10 30 EFEEHO CC[N@H+](C)CCC(=O)N[C@@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001717969994 1419634797 /nfs/dbraw/zinc/63/47/97/1419634797.db2.gz HABGQQZTCCYTAS-IBGZPJMESA-N 1 3 343.515 2.500 10 30 EFEEHO CC[N@@H+](C)CCC(=O)N[C@@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001717969994 1419634799 /nfs/dbraw/zinc/63/47/99/1419634799.db2.gz HABGQQZTCCYTAS-IBGZPJMESA-N 1 3 343.515 2.500 10 30 EFEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001723450967 1424500207 /nfs/dbraw/zinc/50/02/07/1424500207.db2.gz MDEDEPCOUYFNJM-MOPGFXCFSA-N 1 3 333.520 2.940 10 30 EFEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001723450967 1424500211 /nfs/dbraw/zinc/50/02/11/1424500211.db2.gz MDEDEPCOUYFNJM-MOPGFXCFSA-N 1 3 333.520 2.940 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001723610580 1424536403 /nfs/dbraw/zinc/53/64/03/1424536403.db2.gz ZWWIRBYPYPBTRE-OALUTQOASA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001723610580 1424536408 /nfs/dbraw/zinc/53/64/08/1424536408.db2.gz ZWWIRBYPYPBTRE-OALUTQOASA-N 1 3 333.520 2.607 10 30 EFEEHO CC#CCN1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001723690984 1424557603 /nfs/dbraw/zinc/55/76/03/1424557603.db2.gz KUXHTLNQVCNLEU-NRFANRHFSA-N 1 3 345.531 2.590 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001723722927 1424569836 /nfs/dbraw/zinc/56/98/36/1424569836.db2.gz YUQSCJXUJRTSHG-HXUWFJFHSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001723722927 1424569839 /nfs/dbraw/zinc/56/98/39/1424569839.db2.gz YUQSCJXUJRTSHG-HXUWFJFHSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](F)CN(CC)CC)C2 ZINC001724125270 1424666362 /nfs/dbraw/zinc/66/63/62/1424666362.db2.gz CDLWVYMXYCDAMO-HKUYNNGSSA-N 1 3 339.499 2.557 10 30 EFEEHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](F)CN(CC)CC)C2 ZINC001724125270 1424666367 /nfs/dbraw/zinc/66/63/67/1424666367.db2.gz CDLWVYMXYCDAMO-HKUYNNGSSA-N 1 3 339.499 2.557 10 30 EFEEHO C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001724564996 1424799265 /nfs/dbraw/zinc/79/92/65/1424799265.db2.gz WFCWMMCCDAXZRY-QFBILLFUSA-N 1 3 329.488 2.765 10 30 EFEEHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001724614965 1424837510 /nfs/dbraw/zinc/83/75/10/1424837510.db2.gz UVQZRBLEYKQFIY-BCDXTJNWSA-N 1 3 333.520 2.796 10 30 EFEEHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001724614965 1424837519 /nfs/dbraw/zinc/83/75/19/1424837519.db2.gz UVQZRBLEYKQFIY-BCDXTJNWSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC001725832881 1425899925 /nfs/dbraw/zinc/89/99/25/1425899925.db2.gz HISDIASVKNXELU-SJLPKXTDSA-N 1 3 347.478 2.838 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC000891520804 714799875 /nfs/dbraw/zinc/79/98/75/714799875.db2.gz QJMRCFHXSPTDBE-GOSISDBHSA-N 1 3 348.535 2.639 10 30 EFEEHO CC[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000158388263 715542010 /nfs/dbraw/zinc/54/20/10/715542010.db2.gz SRWBIPRVEDCHCJ-SWLSCSKDSA-N 1 3 337.537 2.544 10 30 EFEEHO C#CCSCC[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000152242438 725980123 /nfs/dbraw/zinc/98/01/23/725980123.db2.gz FAQDRJXCAZZXKF-UHFFFAOYSA-N 1 3 331.529 2.675 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(=C)C)CC2(C)C)CC1 ZINC000941239631 727926827 /nfs/dbraw/zinc/92/68/27/727926827.db2.gz QYMHFKHGSGXCIW-IBGZPJMESA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC(=C)C)CC2(C)C)CC1 ZINC000941239631 727926829 /nfs/dbraw/zinc/92/68/29/727926829.db2.gz QYMHFKHGSGXCIW-IBGZPJMESA-N 1 3 345.531 2.515 10 30 EFEEHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC2CCC(C#N)CC2)CC1 ZINC000929429031 728676841 /nfs/dbraw/zinc/67/68/41/728676841.db2.gz WDFNXGCJJPTBOS-VCWRXUFXSA-N 1 3 332.536 2.807 10 30 EFEEHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC2CCC(C#N)CC2)CC1 ZINC000929429031 728676842 /nfs/dbraw/zinc/67/68/42/728676842.db2.gz WDFNXGCJJPTBOS-VCWRXUFXSA-N 1 3 332.536 2.807 10 30 EFEEHO C=C(C)CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001569452471 1085239210 /nfs/dbraw/zinc/23/92/10/1085239210.db2.gz TXSHCITVOBXZLD-IBGZPJMESA-N 1 3 333.520 2.750 10 30 EFEEHO C=C(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001569452471 1085239218 /nfs/dbraw/zinc/23/92/18/1085239218.db2.gz TXSHCITVOBXZLD-IBGZPJMESA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001569919552 1085766351 /nfs/dbraw/zinc/76/63/51/1085766351.db2.gz NDGFNGYYYMCKBO-GBESFXJTSA-N 1 3 333.520 2.748 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001569919552 1085766360 /nfs/dbraw/zinc/76/63/60/1085766360.db2.gz NDGFNGYYYMCKBO-GBESFXJTSA-N 1 3 333.520 2.748 10 30 EFEEHO CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001570033210 1085884781 /nfs/dbraw/zinc/88/47/81/1085884781.db2.gz OMXNQNDFPXKPCI-XLIONFOSSA-N 1 3 341.499 2.851 10 30 EFEEHO CC#CCN1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)CC1 ZINC001570053540 1085908103 /nfs/dbraw/zinc/90/81/03/1085908103.db2.gz IQEIUYQLSPWBKP-UHFFFAOYSA-N 1 3 345.531 2.589 10 30 EFEEHO CC#CCN1CCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)CC1 ZINC001570053540 1085908115 /nfs/dbraw/zinc/90/81/15/1085908115.db2.gz IQEIUYQLSPWBKP-UHFFFAOYSA-N 1 3 345.531 2.589 10 30 EFEEHO C#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001570220451 1086061610 /nfs/dbraw/zinc/06/16/10/1086061610.db2.gz RVVZAKSCMVDOEP-OALUTQOASA-N 1 3 347.547 2.548 10 30 EFEEHO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001570220451 1086061618 /nfs/dbraw/zinc/06/16/18/1086061618.db2.gz RVVZAKSCMVDOEP-OALUTQOASA-N 1 3 347.547 2.548 10 30 EFEEHO C#CCN1CCC(C(=O)NCCCCCC2CC[NH+](CC)CC2)CC1 ZINC001570267121 1086097802 /nfs/dbraw/zinc/09/78/02/1086097802.db2.gz HSAHXIHZCFOFDX-UHFFFAOYSA-N 1 3 347.547 2.740 10 30 EFEEHO C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001570477803 1086266845 /nfs/dbraw/zinc/26/68/45/1086266845.db2.gz ACVJRKBTXYRJMZ-IBGZPJMESA-N 1 3 341.499 2.620 10 30 EFEEHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001570641512 1086429811 /nfs/dbraw/zinc/42/98/11/1086429811.db2.gz MTNTWQKYPFJCHV-JKSUJKDBSA-N 1 3 349.906 2.516 10 30 EFEEHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001570641512 1086429814 /nfs/dbraw/zinc/42/98/14/1086429814.db2.gz MTNTWQKYPFJCHV-JKSUJKDBSA-N 1 3 349.906 2.516 10 30 EFEEHO C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001649459523 1092491817 /nfs/dbraw/zinc/49/18/17/1092491817.db2.gz OJMITNMTOSKHIZ-IBGZPJMESA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267058986 1092498291 /nfs/dbraw/zinc/49/82/91/1092498291.db2.gz XFJFUGJWTMPXFJ-QFBILLFUSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001267217188 1093227216 /nfs/dbraw/zinc/22/72/16/1093227216.db2.gz AEUSAZHPWXDGKJ-QAPCUYQASA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001267217188 1093227224 /nfs/dbraw/zinc/22/72/24/1093227224.db2.gz AEUSAZHPWXDGKJ-QAPCUYQASA-N 1 3 327.488 2.602 10 30 EFEEHO CC#CC[NH2+][C@@H](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001267222248 1093251009 /nfs/dbraw/zinc/25/10/09/1093251009.db2.gz JVFHIHWUFPSGQY-KRWDZBQOSA-N 1 3 341.499 2.602 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001267376414 1094369372 /nfs/dbraw/zinc/36/93/72/1094369372.db2.gz DALKDWJUNNDJFD-MJGOQNOKSA-N 1 3 329.488 2.884 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001267376416 1094369504 /nfs/dbraw/zinc/36/95/04/1094369504.db2.gz DALKDWJUNNDJFD-PKOBYXMFSA-N 1 3 329.488 2.884 10 30 EFEEHO C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCCN1CC)c1ccccc1 ZINC001267382856 1094429538 /nfs/dbraw/zinc/42/95/38/1094429538.db2.gz VJOIQFJEUYUTCN-OALUTQOASA-N 1 3 329.488 2.884 10 30 EFEEHO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001481461628 1094699649 /nfs/dbraw/zinc/69/96/49/1094699649.db2.gz GBHAZYFUPQRHOX-QGZVFWFLSA-N 1 3 329.488 2.766 10 30 EFEEHO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001481461628 1094699654 /nfs/dbraw/zinc/69/96/54/1094699654.db2.gz GBHAZYFUPQRHOX-QGZVFWFLSA-N 1 3 329.488 2.766 10 30 EFEEHO C=CCN[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001267519463 1095212740 /nfs/dbraw/zinc/21/27/40/1095212740.db2.gz GUZLBJQWAOQBEQ-SFHVURJKSA-N 1 3 329.488 2.884 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001267521525 1095226847 /nfs/dbraw/zinc/22/68/47/1095226847.db2.gz SRKNZZWSUUSAAP-GOSISDBHSA-N 1 3 327.472 2.638 10 30 EFEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1 ZINC001268123293 1095420094 /nfs/dbraw/zinc/42/00/94/1095420094.db2.gz MLOYOUXGVXMEQB-PMACEKPBSA-N 1 3 347.547 2.927 10 30 EFEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1 ZINC001268123294 1095420537 /nfs/dbraw/zinc/42/05/37/1095420537.db2.gz MLOYOUXGVXMEQB-UXHICEINSA-N 1 3 347.547 2.927 10 30 EFEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CCCCC1 ZINC001268123296 1095420568 /nfs/dbraw/zinc/42/05/68/1095420568.db2.gz MLOYOUXGVXMEQB-WOJBJXKFSA-N 1 3 347.547 2.927 10 30 EFEEHO C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267575150 1095792140 /nfs/dbraw/zinc/79/21/40/1095792140.db2.gz CWCJFXGMETZVIJ-VQIMIIECSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267575150 1095792151 /nfs/dbraw/zinc/79/21/51/1095792151.db2.gz CWCJFXGMETZVIJ-VQIMIIECSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267588527 1096008953 /nfs/dbraw/zinc/00/89/53/1096008953.db2.gz CLJRBISACUQXRT-QFBILLFUSA-N 1 3 339.499 2.555 10 30 EFEEHO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267588527 1096008963 /nfs/dbraw/zinc/00/89/63/1096008963.db2.gz CLJRBISACUQXRT-QFBILLFUSA-N 1 3 339.499 2.555 10 30 EFEEHO CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481671519 1096276210 /nfs/dbraw/zinc/27/62/10/1096276210.db2.gz OZERIXCFSWQFJB-GBESFXJTSA-N 1 3 333.520 2.584 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001481883694 1096856763 /nfs/dbraw/zinc/85/67/63/1096856763.db2.gz YCCQWEPJNJHGAZ-XLIONFOSSA-N 1 3 341.499 2.577 10 30 EFEEHO C=C(C)C[NH2+]CC1(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC001481903879 1096896956 /nfs/dbraw/zinc/89/69/56/1096896956.db2.gz LIUHEFTVGRKRAC-LJQANCHMSA-N 1 3 339.499 2.794 10 30 EFEEHO C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268965470 1097751172 /nfs/dbraw/zinc/75/11/72/1097751172.db2.gz QFJFVLBNHUAQHE-VJANTYMQSA-N 1 3 333.520 2.748 10 30 EFEEHO C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268965470 1097751177 /nfs/dbraw/zinc/75/11/77/1097751177.db2.gz QFJFVLBNHUAQHE-VJANTYMQSA-N 1 3 333.520 2.748 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001482232113 1098263626 /nfs/dbraw/zinc/26/36/26/1098263626.db2.gz ALAKISSJOVKXGN-JKSUJKDBSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001482232113 1098263632 /nfs/dbraw/zinc/26/36/32/1098263632.db2.gz ALAKISSJOVKXGN-JKSUJKDBSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001269634042 1098312079 /nfs/dbraw/zinc/31/20/79/1098312079.db2.gz JLFIQEHCKBQDRQ-MOPGFXCFSA-N 1 3 339.499 2.650 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@](C)(C[NH2+]CCC(C)(C)C)C2CC2)CC1 ZINC001269651077 1098331899 /nfs/dbraw/zinc/33/18/99/1098331899.db2.gz BOJDVJUMIOXHIX-OAQYLSRUSA-N 1 3 347.547 2.642 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@]2(C[NH2+]CCC=C)CCCC[C@@H]2C)CC1 ZINC001269675954 1098348665 /nfs/dbraw/zinc/34/86/65/1098348665.db2.gz DNAMJPOOPMEQHW-RXVVDRJESA-N 1 3 345.531 2.562 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001269700438 1098377591 /nfs/dbraw/zinc/37/75/91/1098377591.db2.gz XSBYXSZASGREKF-OAQYLSRUSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001269700438 1098377599 /nfs/dbraw/zinc/37/75/99/1098377599.db2.gz XSBYXSZASGREKF-OAQYLSRUSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001482241803 1098437858 /nfs/dbraw/zinc/43/78/58/1098437858.db2.gz KXOYHPQDPLICAT-SFHVURJKSA-N 1 3 333.520 2.751 10 30 EFEEHO CCCCCCC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001482244977 1098465311 /nfs/dbraw/zinc/46/53/11/1098465311.db2.gz NEOWJBFDLAHMAO-UHFFFAOYSA-N 1 3 332.492 2.847 10 30 EFEEHO C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001270088757 1098681468 /nfs/dbraw/zinc/68/14/68/1098681468.db2.gz QNOPGTPZDLLZAB-LJQANCHMSA-N 1 3 329.488 2.843 10 30 EFEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCC1 ZINC001270443375 1099093794 /nfs/dbraw/zinc/09/37/94/1099093794.db2.gz SKROWSHJFZDMQK-OALUTQOASA-N 1 3 333.520 2.537 10 30 EFEEHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001270511545 1099158685 /nfs/dbraw/zinc/15/86/85/1099158685.db2.gz BPIXOPAGJHYWJX-NRFANRHFSA-N 1 3 345.531 2.590 10 30 EFEEHO C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001270513005 1099164375 /nfs/dbraw/zinc/16/43/75/1099164375.db2.gz MSTOMXKSNAYVBO-FPOVZHCZSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001270513005 1099164380 /nfs/dbraw/zinc/16/43/80/1099164380.db2.gz MSTOMXKSNAYVBO-FPOVZHCZSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001671256803 1099375877 /nfs/dbraw/zinc/37/58/77/1099375877.db2.gz KQUQQALGUFEPTO-VQIMIIECSA-N 1 3 329.488 2.907 10 30 EFEEHO CC(C)N(C)CC(=O)NCCC[N@H+](CC#Cc1ccccc1)C(C)C ZINC001481358347 1099461392 /nfs/dbraw/zinc/46/13/92/1099461392.db2.gz RWOZPQOSFVADEH-UHFFFAOYSA-N 1 3 343.515 2.595 10 30 EFEEHO CC(C)N(C)CC(=O)NCCC[N@@H+](CC#Cc1ccccc1)C(C)C ZINC001481358347 1099461395 /nfs/dbraw/zinc/46/13/95/1099461395.db2.gz RWOZPQOSFVADEH-UHFFFAOYSA-N 1 3 343.515 2.595 10 30 EFEEHO C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001270851335 1099718824 /nfs/dbraw/zinc/71/88/24/1099718824.db2.gz KXOYHPQDPLICAT-GOSISDBHSA-N 1 3 333.520 2.751 10 30 EFEEHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001271017715 1100381021 /nfs/dbraw/zinc/38/10/21/1100381021.db2.gz VFEGVWZZDDBEIZ-FPOVZHCZSA-N 1 3 347.547 2.739 10 30 EFEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1CC ZINC001670587016 1101371064 /nfs/dbraw/zinc/37/10/64/1101371064.db2.gz DRNGYUNOZMUWJA-MOPGFXCFSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271665281 1102227998 /nfs/dbraw/zinc/22/79/98/1102227998.db2.gz JRGLRTXKMFLFAE-RBUKOAKNSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001657076410 1102313103 /nfs/dbraw/zinc/31/31/03/1102313103.db2.gz WOMMETDEDNMFLX-LPHOPBHVSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001657076410 1102313115 /nfs/dbraw/zinc/31/31/15/1102313115.db2.gz WOMMETDEDNMFLX-LPHOPBHVSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001271750062 1102590450 /nfs/dbraw/zinc/59/04/50/1102590450.db2.gz MBDRXSFDADATGN-AKHDSKFASA-N 1 3 333.520 2.796 10 30 EFEEHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001271750062 1102590458 /nfs/dbraw/zinc/59/04/58/1102590458.db2.gz MBDRXSFDADATGN-AKHDSKFASA-N 1 3 333.520 2.796 10 30 EFEEHO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001266891072 1102606545 /nfs/dbraw/zinc/60/65/45/1102606545.db2.gz NVTWXAUSMDLNLY-MOPGFXCFSA-N 1 3 347.547 2.833 10 30 EFEEHO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001266891072 1102606549 /nfs/dbraw/zinc/60/65/49/1102606549.db2.gz NVTWXAUSMDLNLY-MOPGFXCFSA-N 1 3 347.547 2.833 10 30 EFEEHO CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001266891087 1102606587 /nfs/dbraw/zinc/60/65/87/1102606587.db2.gz NVTWXAUSMDLNLY-RTBURBONSA-N 1 3 347.547 2.833 10 30 EFEEHO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001266891087 1102606592 /nfs/dbraw/zinc/60/65/92/1102606592.db2.gz NVTWXAUSMDLNLY-RTBURBONSA-N 1 3 347.547 2.833 10 30 EFEEHO C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCCN1CC ZINC001271826745 1102835849 /nfs/dbraw/zinc/83/58/49/1102835849.db2.gz LZNQZXFKULTVGJ-LJQANCHMSA-N 1 3 329.488 2.665 10 30 EFEEHO CC#CCNCCN(Cc1ccccc1)C(=O)CC[NH+]1CCCCC1 ZINC001271826949 1102838513 /nfs/dbraw/zinc/83/85/13/1102838513.db2.gz NKTCQSALRWLKCS-UHFFFAOYSA-N 1 3 341.499 2.504 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001660859790 1103008633 /nfs/dbraw/zinc/00/86/33/1103008633.db2.gz WPTIQEGIMMGYCJ-QUCCMNQESA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001660859790 1103008647 /nfs/dbraw/zinc/00/86/47/1103008647.db2.gz WPTIQEGIMMGYCJ-QUCCMNQESA-N 1 3 347.547 2.594 10 30 EFEEHO C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001661235390 1103194250 /nfs/dbraw/zinc/19/42/50/1103194250.db2.gz JBPNKZRCHCSYLO-MOPGFXCFSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001661235390 1103194257 /nfs/dbraw/zinc/19/42/57/1103194257.db2.gz JBPNKZRCHCSYLO-MOPGFXCFSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001661818183 1103444649 /nfs/dbraw/zinc/44/46/49/1103444649.db2.gz KIXXNXQDEABOKG-QFBILLFUSA-N 1 3 339.499 2.603 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001662796567 1103817866 /nfs/dbraw/zinc/81/78/66/1103817866.db2.gz BHBFGQHYOPUPHK-RTBURBONSA-N 1 3 347.547 2.785 10 30 EFEEHO C=C(C)CC[N@H+](CC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001663422566 1104091010 /nfs/dbraw/zinc/09/10/10/1104091010.db2.gz JFYRAWBOUZGKEW-GOSISDBHSA-N 1 3 327.488 2.603 10 30 EFEEHO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001663422566 1104091025 /nfs/dbraw/zinc/09/10/25/1104091025.db2.gz JFYRAWBOUZGKEW-GOSISDBHSA-N 1 3 327.488 2.603 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001665362450 1104674677 /nfs/dbraw/zinc/67/46/77/1104674677.db2.gz AHZRHZZRPTYZOE-INIZCTEOSA-N 1 3 329.488 2.765 10 30 EFEEHO C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001482628300 1104688046 /nfs/dbraw/zinc/68/80/46/1104688046.db2.gz MMBXCIDOYPPLJK-LPHOPBHVSA-N 1 3 341.515 2.944 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001482628300 1104688050 /nfs/dbraw/zinc/68/80/50/1104688050.db2.gz MMBXCIDOYPPLJK-LPHOPBHVSA-N 1 3 341.515 2.944 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001665567197 1104715679 /nfs/dbraw/zinc/71/56/79/1104715679.db2.gz OLNKORPSSMWIFX-MJGOQNOKSA-N 1 3 333.520 2.940 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001665567197 1104715684 /nfs/dbraw/zinc/71/56/84/1104715684.db2.gz OLNKORPSSMWIFX-MJGOQNOKSA-N 1 3 333.520 2.940 10 30 EFEEHO C#CC[NH2+]C[C@]1(NC(=O)c2cccc(CN(C)C)c2)CCCC[C@@H]1C ZINC001666067019 1104846720 /nfs/dbraw/zinc/84/67/20/1104846720.db2.gz BFMJCZQYAQFEMW-LAUBAEHRSA-N 1 3 341.499 2.650 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001669930031 1105547610 /nfs/dbraw/zinc/54/76/10/1105547610.db2.gz HICYABLJAJVGDU-ROUUACIJSA-N 1 3 341.499 2.529 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001669930031 1105547615 /nfs/dbraw/zinc/54/76/15/1105547615.db2.gz HICYABLJAJVGDU-ROUUACIJSA-N 1 3 341.499 2.529 10 30 EFEEHO C#CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CCN(CC=C)CC1 ZINC001671485495 1105644037 /nfs/dbraw/zinc/64/40/37/1105644037.db2.gz RMRZSKPXRUVDPI-UHFFFAOYSA-N 1 3 345.531 2.753 10 30 EFEEHO C#CCN(C(=O)CC[N@H+](C)C1CCCCC1)C1CCN(CC=C)CC1 ZINC001671485495 1105644039 /nfs/dbraw/zinc/64/40/39/1105644039.db2.gz RMRZSKPXRUVDPI-UHFFFAOYSA-N 1 3 345.531 2.753 10 30 EFEEHO CC#CCNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001671512414 1105648927 /nfs/dbraw/zinc/64/89/27/1105648927.db2.gz HMLYSJVJLQJHJX-LEWJYISDSA-N 1 3 349.478 2.562 10 30 EFEEHO CC#CCNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001671512414 1105648931 /nfs/dbraw/zinc/64/89/31/1105648931.db2.gz HMLYSJVJLQJHJX-LEWJYISDSA-N 1 3 349.478 2.562 10 30 EFEEHO CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C2 ZINC001672348351 1105808205 /nfs/dbraw/zinc/80/82/05/1105808205.db2.gz MOWQKKJIQHUXNR-REPLKXPHSA-N 1 3 345.531 2.633 10 30 EFEEHO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C2 ZINC001672348351 1105808213 /nfs/dbraw/zinc/80/82/13/1105808213.db2.gz MOWQKKJIQHUXNR-REPLKXPHSA-N 1 3 345.531 2.633 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001672416151 1105827259 /nfs/dbraw/zinc/82/72/59/1105827259.db2.gz CRALWFHIIYVQMF-QRVBRYPASA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001672416151 1105827268 /nfs/dbraw/zinc/82/72/68/1105827268.db2.gz CRALWFHIIYVQMF-QRVBRYPASA-N 1 3 347.547 2.996 10 30 EFEEHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001674033027 1106127860 /nfs/dbraw/zinc/12/78/60/1106127860.db2.gz DTTMOXSMCRZEBX-RBUKOAKNSA-N 1 3 347.547 2.737 10 30 EFEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001674033027 1106127865 /nfs/dbraw/zinc/12/78/65/1106127865.db2.gz DTTMOXSMCRZEBX-RBUKOAKNSA-N 1 3 347.547 2.737 10 30 EFEEHO C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001675234690 1106320729 /nfs/dbraw/zinc/32/07/29/1106320729.db2.gz ZOVIMAAVKQBQFN-QAPCUYQASA-N 1 3 327.488 2.650 10 30 EFEEHO CC#CC[NH2+]CCC[C@@H](NC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001676145096 1106492547 /nfs/dbraw/zinc/49/25/47/1106492547.db2.gz UMURPDHOMLYYNI-LJQANCHMSA-N 1 3 341.499 2.721 10 30 EFEEHO C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC001676837694 1106599045 /nfs/dbraw/zinc/59/90/45/1106599045.db2.gz LSCDEQWHJRRKTD-KZNAEPCWSA-N 1 3 333.520 2.654 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+][C@@H](C)CCC=C)C(C)(C)C)CC1 ZINC001677306649 1106694698 /nfs/dbraw/zinc/69/46/98/1106694698.db2.gz MXQRMVHCDQUZHF-HKUYNNGSSA-N 1 3 347.547 2.807 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+][C@H](C)CCC=C)C(C)(C)C)CC1 ZINC001677306650 1106694715 /nfs/dbraw/zinc/69/47/15/1106694715.db2.gz MXQRMVHCDQUZHF-IEBWSBKVSA-N 1 3 347.547 2.807 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+][C@@H](C)CCC=C)C(C)(C)C)CC1 ZINC001677306652 1106694987 /nfs/dbraw/zinc/69/49/87/1106694987.db2.gz MXQRMVHCDQUZHF-PKOBYXMFSA-N 1 3 347.547 2.807 10 30 EFEEHO C#CCN1CCC(C(=O)NCC2=CC[N@H+](CCCCCC)CC2)CC1 ZINC001677632685 1106795607 /nfs/dbraw/zinc/79/56/07/1106795607.db2.gz SOOFIZGDLYWDNC-UHFFFAOYSA-N 1 3 345.531 2.660 10 30 EFEEHO C#CCN1CCC(C(=O)NCC2=CC[N@@H+](CCCCCC)CC2)CC1 ZINC001677632685 1106795614 /nfs/dbraw/zinc/79/56/14/1106795614.db2.gz SOOFIZGDLYWDNC-UHFFFAOYSA-N 1 3 345.531 2.660 10 30 EFEEHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)c(F)c1 ZINC001677643670 1106804212 /nfs/dbraw/zinc/80/42/12/1106804212.db2.gz VLSOIDZQNDUMLN-IBGZPJMESA-N 1 3 347.478 2.980 10 30 EFEEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001409349835 1107635882 /nfs/dbraw/zinc/63/58/82/1107635882.db2.gz GROXEQLBNBWASZ-HZPDHXFCSA-N 1 3 344.503 2.519 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+][C@H](CC)c2ccccc2)CC1 ZINC001483197973 1109997767 /nfs/dbraw/zinc/99/77/67/1109997767.db2.gz JQIUNRGKQJXFLG-YLJYHZDGSA-N 1 3 341.499 2.577 10 30 EFEEHO CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001484022940 1112676544 /nfs/dbraw/zinc/67/65/44/1112676544.db2.gz RRRINYZHNXPKKU-PZJWPPBQSA-N 1 3 347.547 2.835 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC(C)C)CC2)CC1 ZINC001484574542 1113027364 /nfs/dbraw/zinc/02/73/64/1113027364.db2.gz GEPORQUZYFGHRA-KESTWPANSA-N 1 3 347.547 2.642 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCCCC)[C@@H](C)C2)CC1 ZINC001484985784 1117911780 /nfs/dbraw/zinc/91/17/80/1117911780.db2.gz KRNIOMXOKWWTOA-AZUAARDMSA-N 1 3 347.547 2.881 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCCCCC)[C@@H](C)C2)CC1 ZINC001484985784 1117911784 /nfs/dbraw/zinc/91/17/84/1117911784.db2.gz KRNIOMXOKWWTOA-AZUAARDMSA-N 1 3 347.547 2.881 10 30 EFEEHO C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001485081523 1118030932 /nfs/dbraw/zinc/03/09/32/1118030932.db2.gz FCYMCSNXZWOJFX-MSOLQXFVSA-N 1 3 335.536 2.711 10 30 EFEEHO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001485081523 1118030935 /nfs/dbraw/zinc/03/09/35/1118030935.db2.gz FCYMCSNXZWOJFX-MSOLQXFVSA-N 1 3 335.536 2.711 10 30 EFEEHO C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001485081526 1118031266 /nfs/dbraw/zinc/03/12/66/1118031266.db2.gz FCYMCSNXZWOJFX-ZWKOTPCHSA-N 1 3 335.536 2.711 10 30 EFEEHO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001485081526 1118031269 /nfs/dbraw/zinc/03/12/69/1118031269.db2.gz FCYMCSNXZWOJFX-ZWKOTPCHSA-N 1 3 335.536 2.711 10 30 EFEEHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001485263529 1118182549 /nfs/dbraw/zinc/18/25/49/1118182549.db2.gz IABRRNMBNJTSRA-HOTGVXAUSA-N 1 3 343.943 2.934 10 30 EFEEHO C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001485653961 1118501004 /nfs/dbraw/zinc/50/10/04/1118501004.db2.gz OXEGSJIMNKUGIY-OKZBNKHCSA-N 1 3 333.520 2.654 10 30 EFEEHO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001485653961 1118501005 /nfs/dbraw/zinc/50/10/05/1118501005.db2.gz OXEGSJIMNKUGIY-OKZBNKHCSA-N 1 3 333.520 2.654 10 30 EFEEHO C[C@H]1CCCN(C(=[NH2+])NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000262430892 240352074 /nfs/dbraw/zinc/35/20/74/240352074.db2.gz DWRDTYOFRDNQAI-GRTSSRMGSA-N 1 3 346.441 2.838 10 30 EFEEHO CCO[C@@H]1C[C@@H](NC(NC2C[C@H]3CCC[C@@H](C2)N3C)=[NH+]C)C12CCC2 ZINC000246326141 240268130 /nfs/dbraw/zinc/26/81/30/240268130.db2.gz FXCORWZNALXWQD-PYWTVGQWSA-N 1 3 348.535 2.514 10 30 EFEEHO Cc1cc(C[NH2+]CC2(N3CCCCC3)CCN(C)CC2)ccc1C#N ZINC000444002510 250247599 /nfs/dbraw/zinc/24/75/99/250247599.db2.gz OJFAHDACIVQNSJ-UHFFFAOYSA-N 1 3 340.515 2.907 10 30 EFEEHO N#Cc1ccc(OCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000567645832 319192206 /nfs/dbraw/zinc/19/22/06/319192206.db2.gz BWNWDKWYELUOCP-FPOVZHCZSA-N 1 3 349.434 2.783 10 30 EFEEHO CC(C)N1CCN(CCC[NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000594033065 479558202 /nfs/dbraw/zinc/55/82/02/479558202.db2.gz GQIYMUNXVUFBQQ-UHFFFAOYSA-N 1 3 340.515 2.943 10 30 EFEEHO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)cc1C#N ZINC000310837548 474829238 /nfs/dbraw/zinc/82/92/38/474829238.db2.gz MZPDQXWKCNXPTO-HLAWJBBLSA-N 1 3 334.467 2.897 10 30 EFEEHO C=CCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000354017956 476368136 /nfs/dbraw/zinc/36/81/36/476368136.db2.gz NHZQZEBUMXFDQW-NQIIRXRSSA-N 1 3 343.515 2.709 10 30 EFEEHO C=CCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000354017956 476368141 /nfs/dbraw/zinc/36/81/41/476368141.db2.gz NHZQZEBUMXFDQW-NQIIRXRSSA-N 1 3 343.515 2.709 10 30 EFEEHO C=CCOc1ccccc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415121919 476908237 /nfs/dbraw/zinc/90/82/37/476908237.db2.gz HTMKMYJUGZWOTC-UYAOXDASSA-N 1 3 330.472 2.970 10 30 EFEEHO C=CCOc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415128558 476909108 /nfs/dbraw/zinc/90/91/08/476909108.db2.gz SHQBAPZCEUYEFI-QUCCMNQESA-N 1 3 330.472 2.970 10 30 EFEEHO CC1(C)C[C@@H](NCC#CC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C(C)(C)O1 ZINC000472455647 478014391 /nfs/dbraw/zinc/01/43/91/478014391.db2.gz LMKSTXRWIUDELE-HZPDHXFCSA-N 1 3 336.520 2.861 10 30 EFEEHO C[C@@H]1C[C@H](NC(=O)[C@H](N)CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594436823 478386343 /nfs/dbraw/zinc/38/63/43/478386343.db2.gz GGTKMVWQEDZFNT-BHIYHBOVSA-N 1 3 342.487 2.567 10 30 EFEEHO C[C@@H]1C[C@H](NC(=O)[C@H](N)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594436823 478386352 /nfs/dbraw/zinc/38/63/52/478386352.db2.gz GGTKMVWQEDZFNT-BHIYHBOVSA-N 1 3 342.487 2.567 10 30 EFEEHO N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000594441935 478390373 /nfs/dbraw/zinc/39/03/73/478390373.db2.gz YWNDYAQFPXPPCH-MOPGFXCFSA-N 1 3 342.487 2.741 10 30 EFEEHO C[NH+]1CCC2(CCN(C(=O)C(C#N)CCc3ccccc3)C2)CC1 ZINC000597665746 478454476 /nfs/dbraw/zinc/45/44/76/478454476.db2.gz FGFZQQKUCAJVFQ-GOSISDBHSA-N 1 3 325.456 2.703 10 30 EFEEHO N#Cc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000594953800 478603466 /nfs/dbraw/zinc/60/34/66/478603466.db2.gz HKIPSMAMUCUICO-UHFFFAOYSA-N 1 3 331.435 2.678 10 30 EFEEHO N#Cc1cccc(C2(NCc3ccc4c(c3)C[NH2+]CC4)CCOCC2)c1 ZINC000595908868 479064625 /nfs/dbraw/zinc/06/46/25/479064625.db2.gz IWCMZCYSFOMRJK-UHFFFAOYSA-N 1 3 347.462 2.999 10 30 EFEEHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C)c(C#N)c3)CC2)CC1 ZINC000599441130 479298956 /nfs/dbraw/zinc/29/89/56/479298956.db2.gz ZCTYKOBPWWVBOT-UHFFFAOYSA-N 1 3 340.515 2.859 10 30 EFEEHO CC[C@@H](NCC#CC[NH2+][C@@H](CC)[C@H]1CCCCO1)[C@H]1CCCCO1 ZINC000653874441 481505724 /nfs/dbraw/zinc/50/57/24/481505724.db2.gz GXHGSWHEOATZOU-IYWMVGAKSA-N 1 3 336.520 2.864 10 30 EFEEHO CC[C@@H]([NH2+]CC#CCN[C@@H](CC)[C@H]1CCCCO1)[C@H]1CCCCO1 ZINC000653874441 481505730 /nfs/dbraw/zinc/50/57/30/481505730.db2.gz GXHGSWHEOATZOU-IYWMVGAKSA-N 1 3 336.520 2.864 10 30 EFEEHO CC[C@@H]([NH2+]CC#CCN[C@@H](CC)[C@@H]1CCCCO1)[C@H]1CCCCO1 ZINC000653874440 481505818 /nfs/dbraw/zinc/50/58/18/481505818.db2.gz GXHGSWHEOATZOU-FGYAAKKASA-N 1 3 336.520 2.864 10 30 EFEEHO CC[C@@H](NCC#CC[NH2+][C@@H](CC)[C@@H]1CCCCO1)[C@H]1CCCCO1 ZINC000653874440 481505808 /nfs/dbraw/zinc/50/58/08/481505808.db2.gz GXHGSWHEOATZOU-FGYAAKKASA-N 1 3 336.520 2.864 10 30 EFEEHO C=CC[C@@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC000662666876 481923493 /nfs/dbraw/zinc/92/34/93/481923493.db2.gz WXKXTMFYXFVRPD-QUCCMNQESA-N 1 3 327.472 2.638 10 30 EFEEHO CC[NH+](CC)CCCn1cc(O)c(-c2nc3ccccc3s2)c1N ZINC000003425340 520605833 /nfs/dbraw/zinc/60/58/33/520605833.db2.gz HPOXZCQOPIWVDQ-UHFFFAOYSA-N 1 3 344.484 2.540 10 30 EFEEHO CC[NH+]=C(NCC1CCSCC1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262767361 535261017 /nfs/dbraw/zinc/26/10/17/535261017.db2.gz HQVUQODCKJTQAI-MRXNPFEDSA-N 1 3 338.565 2.702 10 30 EFEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262531489 535549027 /nfs/dbraw/zinc/54/90/27/535549027.db2.gz NUTUNYUSVXMYMV-TYNCELHUSA-N 1 3 338.858 2.724 10 30 EFEEHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262849207 535596497 /nfs/dbraw/zinc/59/64/97/535596497.db2.gz WLNISWOWLQHUTD-JQFCIGGWSA-N 1 3 336.430 2.599 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCC2CCCCCC2)CC1 ZINC001772517029 1247933448 /nfs/dbraw/zinc/93/34/48/1247933448.db2.gz DBNLWWPPQAJDJL-GOSISDBHSA-N 1 3 347.547 2.786 10 30 EFEEHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001484384393 1252489364 /nfs/dbraw/zinc/48/93/64/1252489364.db2.gz NJZGSBYYEPWZGU-KBXCAEBGSA-N 1 3 349.906 2.798 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001484411255 1252551554 /nfs/dbraw/zinc/55/15/54/1252551554.db2.gz FMVLCGKUROLZLQ-KURKYZTESA-N 1 3 335.536 2.709 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001484411255 1252551565 /nfs/dbraw/zinc/55/15/65/1252551565.db2.gz FMVLCGKUROLZLQ-KURKYZTESA-N 1 3 335.536 2.709 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001670918661 1258606290 /nfs/dbraw/zinc/60/62/90/1258606290.db2.gz LJSRZYYLYHECPB-IBGZPJMESA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001670918661 1258606302 /nfs/dbraw/zinc/60/63/02/1258606302.db2.gz LJSRZYYLYHECPB-IBGZPJMESA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001670919493 1258633395 /nfs/dbraw/zinc/63/33/95/1258633395.db2.gz VEZUTEYNDCHZJL-IBGZPJMESA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001670919493 1258633405 /nfs/dbraw/zinc/63/34/05/1258633405.db2.gz VEZUTEYNDCHZJL-IBGZPJMESA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001670989012 1259345328 /nfs/dbraw/zinc/34/53/28/1259345328.db2.gz FDFBBNSPLGNAGG-LJQANCHMSA-N 1 3 335.536 2.852 10 30 EFEEHO C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001670989012 1259345332 /nfs/dbraw/zinc/34/53/32/1259345332.db2.gz FDFBBNSPLGNAGG-LJQANCHMSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001272825918 1261059348 /nfs/dbraw/zinc/05/93/48/1261059348.db2.gz LJQAFSISCYYYLZ-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO CC[NH+]=C(NCc1ncc(C)s1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000086741183 1261339705 /nfs/dbraw/zinc/33/97/05/1261339705.db2.gz QSYXFNUWDZOVNU-CQSZACIVSA-N 1 3 335.521 2.524 10 30 EFEEHO CC#CCN1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001486450078 1263142829 /nfs/dbraw/zinc/14/28/29/1263142829.db2.gz ANTBQGHYBVESOU-ICSRJNTNSA-N 1 3 347.547 2.737 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C(F)(F)F ZINC001486451743 1263147428 /nfs/dbraw/zinc/14/74/28/1263147428.db2.gz BIFLCAGVFAMXRM-HUUCEWRRSA-N 1 3 349.441 2.663 10 30 EFEEHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)c(F)c1 ZINC001486524297 1263327053 /nfs/dbraw/zinc/32/70/53/1263327053.db2.gz XLLJVFNNCUZAEI-GOSISDBHSA-N 1 3 333.451 2.590 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000876738554 1290997235 /nfs/dbraw/zinc/99/72/35/1290997235.db2.gz GSAABRDMORVAKF-HIFRSBDPSA-N 1 3 341.908 2.546 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876738554 1290997242 /nfs/dbraw/zinc/99/72/42/1290997242.db2.gz GSAABRDMORVAKF-HIFRSBDPSA-N 1 3 341.908 2.546 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000876739839 1290998888 /nfs/dbraw/zinc/99/88/88/1290998888.db2.gz JIGAJIDNENJODE-JYJNAYRXSA-N 1 3 327.900 2.569 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000876739839 1290998894 /nfs/dbraw/zinc/99/88/94/1290998894.db2.gz JIGAJIDNENJODE-JYJNAYRXSA-N 1 3 327.900 2.569 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000876745726 1291001901 /nfs/dbraw/zinc/00/19/01/1291001901.db2.gz KSQUOYIZZKHLNY-AWEZNQCLSA-N 1 3 336.867 2.601 10 30 EFEEHO C=CCCC[NH2+]CCN(CC)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001273610464 1292368702 /nfs/dbraw/zinc/36/87/02/1292368702.db2.gz NLDMFGGHILWIQP-SFHVURJKSA-N 1 3 327.488 2.603 10 30 EFEEHO C#CCC[N@@H+](CC)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001274954856 1296220256 /nfs/dbraw/zinc/22/02/56/1296220256.db2.gz AXZOOGLKNXSJED-UHFFFAOYSA-N 1 3 335.536 2.548 10 30 EFEEHO C#CCC[N@H+](CC)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001274954856 1296220268 /nfs/dbraw/zinc/22/02/68/1296220268.db2.gz AXZOOGLKNXSJED-UHFFFAOYSA-N 1 3 335.536 2.548 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001490765081 1299211847 /nfs/dbraw/zinc/21/18/47/1299211847.db2.gz BYNGJJIAJDWBOT-QZTJIDSGSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001490765081 1299211852 /nfs/dbraw/zinc/21/18/52/1299211852.db2.gz BYNGJJIAJDWBOT-QZTJIDSGSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001490793941 1299263868 /nfs/dbraw/zinc/26/38/68/1299263868.db2.gz RLQRTCSLBRUQEC-QRVBRYPASA-N 1 3 345.531 2.892 10 30 EFEEHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC/C=C/CCC)CC1 ZINC001278184094 1313755502 /nfs/dbraw/zinc/75/55/02/1313755502.db2.gz HASVBFYYTMNRKK-VOTSOKGWSA-N 1 3 342.487 2.625 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000900435271 1308161180 /nfs/dbraw/zinc/16/11/80/1308161180.db2.gz HURKWRJOEFZTGZ-LJQANCHMSA-N 1 3 329.488 2.756 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000900435270 1308161409 /nfs/dbraw/zinc/16/14/09/1308161409.db2.gz HURKWRJOEFZTGZ-IBGZPJMESA-N 1 3 329.488 2.756 10 30 EFEEHO C=CC[NH+]1CCC(NC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900598857 1308383503 /nfs/dbraw/zinc/38/35/03/1308383503.db2.gz MHWZAYZAOVMIIS-UHFFFAOYSA-N 1 3 326.444 2.671 10 30 EFEEHO C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001278550684 1315175550 /nfs/dbraw/zinc/17/55/50/1315175550.db2.gz XOQYCWRQROIMHU-RBUKOAKNSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001278742442 1315642865 /nfs/dbraw/zinc/64/28/65/1315642865.db2.gz ZCOSNAJYUHEZML-HNNXBMFYSA-N 1 3 343.462 2.510 10 30 EFEEHO C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001278742442 1315642868 /nfs/dbraw/zinc/64/28/68/1315642868.db2.gz ZCOSNAJYUHEZML-HNNXBMFYSA-N 1 3 343.462 2.510 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]CCC2CCCCC2)CC1 ZINC001318605842 1328650308 /nfs/dbraw/zinc/65/03/08/1328650308.db2.gz KCCAKWCAKABSHL-FQEVSTJZSA-N 1 3 347.547 2.786 10 30 EFEEHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001264496981 1316620990 /nfs/dbraw/zinc/62/09/90/1316620990.db2.gz IIFFXHOMWNETHJ-RTBURBONSA-N 1 3 347.547 2.833 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1nc[nH]c1C ZINC001264585834 1316635459 /nfs/dbraw/zinc/63/54/59/1316635459.db2.gz HITHICBIHPOKAI-AYOQOUSVSA-N 1 3 344.503 2.832 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1nc[nH]c1C ZINC001264585834 1316635462 /nfs/dbraw/zinc/63/54/62/1316635462.db2.gz HITHICBIHPOKAI-AYOQOUSVSA-N 1 3 344.503 2.832 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001264753779 1316668799 /nfs/dbraw/zinc/66/87/99/1316668799.db2.gz OBCVCAMUCSBMOO-ROUUACIJSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001264753779 1316668801 /nfs/dbraw/zinc/66/88/01/1316668801.db2.gz OBCVCAMUCSBMOO-ROUUACIJSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001281087853 1316677135 /nfs/dbraw/zinc/67/71/35/1316677135.db2.gz NWGKLENZAQOQOE-LJQANCHMSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001281087853 1316677138 /nfs/dbraw/zinc/67/71/38/1316677138.db2.gz NWGKLENZAQOQOE-LJQANCHMSA-N 1 3 333.520 2.751 10 30 EFEEHO C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001265523844 1316819969 /nfs/dbraw/zinc/81/99/69/1316819969.db2.gz QGVCAGPUBZWHGU-PMACEKPBSA-N 1 3 347.547 2.835 10 30 EFEEHO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001265523844 1316819972 /nfs/dbraw/zinc/81/99/72/1316819972.db2.gz QGVCAGPUBZWHGU-PMACEKPBSA-N 1 3 347.547 2.835 10 30 EFEEHO CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265705929 1316863350 /nfs/dbraw/zinc/86/33/50/1316863350.db2.gz ORMGBMPSEDMJPR-RBUKOAKNSA-N 1 3 347.547 2.739 10 30 EFEEHO C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001266086075 1317011770 /nfs/dbraw/zinc/01/17/70/1317011770.db2.gz FLFCNUZWVMBKFW-OAHLLOKOSA-N 1 3 349.906 2.529 10 30 EFEEHO C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2 ZINC001279229558 1317213705 /nfs/dbraw/zinc/21/37/05/1317213705.db2.gz KJPASHWKFJINRI-BCDXTJNWSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2 ZINC001279229558 1317213709 /nfs/dbraw/zinc/21/37/09/1317213709.db2.gz KJPASHWKFJINRI-BCDXTJNWSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001279288498 1317226309 /nfs/dbraw/zinc/22/63/09/1317226309.db2.gz HIKDMRHPYGXYJM-NCXUSEDFSA-N 1 3 335.536 2.948 10 30 EFEEHO C=CCC[NH+]1CCC(C2(NC(=O)CN3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001279368575 1317247435 /nfs/dbraw/zinc/24/74/35/1317247435.db2.gz XJXFPAKPFXRVCZ-CALCHBBNSA-N 1 3 333.520 2.796 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001280252880 1317487976 /nfs/dbraw/zinc/48/79/76/1317487976.db2.gz YFTFVQXDNREIDV-MRXNPFEDSA-N 1 3 341.927 2.688 10 30 EFEEHO C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001280890214 1317882634 /nfs/dbraw/zinc/88/26/34/1317882634.db2.gz VNZJZTPPKJOLFQ-PMACEKPBSA-N 1 3 345.531 2.589 10 30 EFEEHO CC#CCNCc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001319000263 1328761267 /nfs/dbraw/zinc/76/12/67/1328761267.db2.gz LNVDMLAXTHNNHD-GOSISDBHSA-N 1 3 341.499 2.680 10 30 EFEEHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001282674492 1319064539 /nfs/dbraw/zinc/06/45/39/1319064539.db2.gz FHKYGWGEHWGSEY-APWZRJJASA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001282674492 1319064546 /nfs/dbraw/zinc/06/45/46/1319064546.db2.gz FHKYGWGEHWGSEY-APWZRJJASA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC001282992440 1319244665 /nfs/dbraw/zinc/24/46/65/1319244665.db2.gz JPVLGTHEXBQJLI-RLLQIKCJSA-N 1 3 335.536 2.709 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC001282992440 1319244675 /nfs/dbraw/zinc/24/46/75/1319244675.db2.gz JPVLGTHEXBQJLI-RLLQIKCJSA-N 1 3 335.536 2.709 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CC2CCCCCC2)CC1 ZINC001319284328 1328832691 /nfs/dbraw/zinc/83/26/91/1328832691.db2.gz GHYVYSIGSAMKIV-SFHVURJKSA-N 1 3 347.547 2.644 10 30 EFEEHO CC#CCNC[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001319633686 1328934042 /nfs/dbraw/zinc/93/40/42/1328934042.db2.gz KAROUTQYYJENEE-UYAOXDASSA-N 1 3 347.547 2.927 10 30 EFEEHO CC#CCNC[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001319633686 1328934047 /nfs/dbraw/zinc/93/40/47/1328934047.db2.gz KAROUTQYYJENEE-UYAOXDASSA-N 1 3 347.547 2.927 10 30 EFEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CCCCC1 ZINC001319651768 1328938989 /nfs/dbraw/zinc/93/89/89/1328938989.db2.gz QRGYGMOOAOUMRR-OALUTQOASA-N 1 3 333.520 2.537 10 30 EFEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C1CCCCC1 ZINC001319651770 1328939264 /nfs/dbraw/zinc/93/92/64/1328939264.db2.gz QRGYGMOOAOUMRR-RTBURBONSA-N 1 3 333.520 2.537 10 30 EFEEHO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001316660696 1323021701 /nfs/dbraw/zinc/02/17/01/1323021701.db2.gz VBIAIQKSYXRKCG-FCEWJHQRSA-N 1 3 339.499 2.650 10 30 EFEEHO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001492085202 1324245456 /nfs/dbraw/zinc/24/54/56/1324245456.db2.gz MNBMXEBJTORPBZ-MAUKXSAKSA-N 1 3 327.488 2.650 10 30 EFEEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C ZINC001320609526 1329177023 /nfs/dbraw/zinc/17/70/23/1329177023.db2.gz UKVJZSOPCTXJTB-MAUKXSAKSA-N 1 3 349.906 2.516 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C1CCC1 ZINC001316718285 1325044532 /nfs/dbraw/zinc/04/45/32/1325044532.db2.gz BRFARPHPNVQZRZ-NZSAHSFTSA-N 1 3 333.520 2.652 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C1CCC1 ZINC001316718285 1325044538 /nfs/dbraw/zinc/04/45/38/1325044538.db2.gz BRFARPHPNVQZRZ-NZSAHSFTSA-N 1 3 333.520 2.652 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001316718284 1325044709 /nfs/dbraw/zinc/04/47/09/1325044709.db2.gz BRFARPHPNVQZRZ-NEWSRXKRSA-N 1 3 333.520 2.652 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001316718284 1325044716 /nfs/dbraw/zinc/04/47/16/1325044716.db2.gz BRFARPHPNVQZRZ-NEWSRXKRSA-N 1 3 333.520 2.652 10 30 EFEEHO C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001316775210 1325129056 /nfs/dbraw/zinc/12/90/56/1325129056.db2.gz YMXNOPUETYCANL-RTBURBONSA-N 1 3 333.520 2.633 10 30 EFEEHO C=CCC[N@H+](CC)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001316901893 1325303424 /nfs/dbraw/zinc/30/34/24/1325303424.db2.gz CAJIOEOIGZCQHU-SFHVURJKSA-N 1 3 327.488 2.603 10 30 EFEEHO C=CCC[N@@H+](CC)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001316901893 1325303433 /nfs/dbraw/zinc/30/34/33/1325303433.db2.gz CAJIOEOIGZCQHU-SFHVURJKSA-N 1 3 327.488 2.603 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC/C=C/CCC)C2)CC1 ZINC001316950488 1325408298 /nfs/dbraw/zinc/40/82/98/1325408298.db2.gz BNMNAEAYNZGQTK-ROUKRRSUSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC/C=C/CCC)C2)CC1 ZINC001316950488 1325408300 /nfs/dbraw/zinc/40/83/00/1325408300.db2.gz BNMNAEAYNZGQTK-ROUKRRSUSA-N 1 3 345.531 2.659 10 30 EFEEHO CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001317099796 1325563799 /nfs/dbraw/zinc/56/37/99/1325563799.db2.gz JVMBDHUFQUZJTL-VQTJNVASSA-N 1 3 345.531 2.589 10 30 EFEEHO C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001321248252 1329362896 /nfs/dbraw/zinc/36/28/96/1329362896.db2.gz ACHTZWBCRZITCF-WRKUDEPPSA-N 1 3 339.499 2.816 10 30 EFEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317436617 1328024827 /nfs/dbraw/zinc/02/48/27/1328024827.db2.gz ZCGCEKKTOGRLCX-JKSUJKDBSA-N 1 3 329.916 2.686 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001317471959 1328061221 /nfs/dbraw/zinc/06/12/21/1328061221.db2.gz SGDJDJMNNGYZKA-MOPGFXCFSA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001317471959 1328061228 /nfs/dbraw/zinc/06/12/28/1328061228.db2.gz SGDJDJMNNGYZKA-MOPGFXCFSA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCC[NH2+][C@@H](CNC(=O)c1cccc(CN(C)C)c1)c1ccccc1 ZINC001317729536 1328339271 /nfs/dbraw/zinc/33/92/71/1328339271.db2.gz VJDWYCRMFADRNW-NRFANRHFSA-N 1 3 349.478 2.832 10 30 EFEEHO C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001317884729 1328437686 /nfs/dbraw/zinc/43/76/86/1328437686.db2.gz XRNDLCAOMRPRLP-IBGZPJMESA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001317884729 1328437691 /nfs/dbraw/zinc/43/76/91/1328437691.db2.gz XRNDLCAOMRPRLP-IBGZPJMESA-N 1 3 335.536 2.997 10 30 EFEEHO C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CCCCCC)CC2)C1 ZINC001323636042 1329556465 /nfs/dbraw/zinc/55/64/65/1329556465.db2.gz BFXFPLYDPAPQAF-HXUWFJFHSA-N 1 3 347.547 2.692 10 30 EFEEHO C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CCCCCC)CC2)C1 ZINC001323636042 1329556467 /nfs/dbraw/zinc/55/64/67/1329556467.db2.gz BFXFPLYDPAPQAF-HXUWFJFHSA-N 1 3 347.547 2.692 10 30 EFEEHO C#CCN(C(=O)CN(C)C1CCC1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001324396960 1329623609 /nfs/dbraw/zinc/62/36/09/1329623609.db2.gz KXRBJCIVFLAARS-SREVYHEPSA-N 1 3 345.531 2.753 10 30 EFEEHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CC(CC)CC)CC1 ZINC001324420079 1329625723 /nfs/dbraw/zinc/62/57/23/1329625723.db2.gz KWYRFSYGRZEBTJ-IBGZPJMESA-N 1 3 335.536 2.689 10 30 EFEEHO CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001325665171 1329705043 /nfs/dbraw/zinc/70/50/43/1329705043.db2.gz IVAPCXPROAEQRS-UFYCRDLUSA-N 1 3 347.547 2.786 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001325679024 1329705925 /nfs/dbraw/zinc/70/59/25/1329705925.db2.gz GTLQFXKOWXXEOC-NCXUSEDFSA-N 1 3 335.536 2.948 10 30 EFEEHO C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001326436565 1329756476 /nfs/dbraw/zinc/75/64/76/1329756476.db2.gz DWOSJPHWSOHSKS-QGZVFWFLSA-N 1 3 329.488 2.766 10 30 EFEEHO C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]21 ZINC001332151103 1330929146 /nfs/dbraw/zinc/92/91/46/1330929146.db2.gz YGZKHFCVIUGITK-FGTMMUONSA-N 1 3 335.536 2.757 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001422119490 1379639829 /nfs/dbraw/zinc/63/98/29/1379639829.db2.gz KRIMAXREWFJDAB-CVEARBPZSA-N 1 3 329.916 2.591 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001422119490 1379639832 /nfs/dbraw/zinc/63/98/32/1379639832.db2.gz KRIMAXREWFJDAB-CVEARBPZSA-N 1 3 329.916 2.591 10 30 EFEEHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C)N(C)C ZINC001423597141 1382140759 /nfs/dbraw/zinc/14/07/59/1382140759.db2.gz BQLWFFNQCTVWMR-MSOLQXFVSA-N 1 3 344.503 2.519 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001438828092 1388845127 /nfs/dbraw/zinc/84/51/27/1388845127.db2.gz LVCCOBGEYAGLBY-PBHICJAKSA-N 1 3 347.906 2.682 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001438828092 1388845130 /nfs/dbraw/zinc/84/51/30/1388845130.db2.gz LVCCOBGEYAGLBY-PBHICJAKSA-N 1 3 347.906 2.682 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001506785018 1406280485 /nfs/dbraw/zinc/28/04/85/1406280485.db2.gz KVJSYOFHSUHBJG-CADBVGFASA-N 1 3 347.547 2.900 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001506785018 1406280491 /nfs/dbraw/zinc/28/04/91/1406280491.db2.gz KVJSYOFHSUHBJG-CADBVGFASA-N 1 3 347.547 2.900 10 30 EFEEHO C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)CN1CC[C@H](C)C1)C(C)C ZINC001448217910 1392025622 /nfs/dbraw/zinc/02/56/22/1392025622.db2.gz PAPZIGHZOOQZSN-HOCLYGCPSA-N 1 3 329.916 2.543 10 30 EFEEHO Cc1cc(C#N)cc(C)c1CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001473877668 1397342914 /nfs/dbraw/zinc/34/29/14/1397342914.db2.gz WWCMBQLDTDRDRU-UHFFFAOYSA-N 1 3 341.499 2.988 10 30 EFEEHO C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001479241983 1397634706 /nfs/dbraw/zinc/63/47/06/1397634706.db2.gz TZEJLCKMJGWTOJ-GBESFXJTSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001479241983 1397634710 /nfs/dbraw/zinc/63/47/10/1397634710.db2.gz TZEJLCKMJGWTOJ-GBESFXJTSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001479833808 1397928824 /nfs/dbraw/zinc/92/88/24/1397928824.db2.gz LMWAJAQXLJXQKV-LPHOPBHVSA-N 1 3 329.488 2.907 10 30 EFEEHO C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC001507354549 1406940539 /nfs/dbraw/zinc/94/05/39/1406940539.db2.gz CCGXYICBQCEXQA-BHIYHBOVSA-N 1 3 333.520 2.654 10 30 EFEEHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001480665956 1398272201 /nfs/dbraw/zinc/27/22/01/1398272201.db2.gz QKZVQPFCQKOTBI-APWZRJJASA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]21 ZINC001507361166 1406953473 /nfs/dbraw/zinc/95/34/73/1406953473.db2.gz AUWPGNAAQQXAKG-RCCFBDPRSA-N 1 3 335.536 2.757 10 30 EFEEHO C=CC[N@@H+](C)CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001494214191 1399218379 /nfs/dbraw/zinc/21/83/79/1399218379.db2.gz HDLOWKHBTYBQJM-UHFFFAOYSA-N 1 3 329.488 2.718 10 30 EFEEHO C=CC[N@H+](C)CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001494214191 1399218380 /nfs/dbraw/zinc/21/83/80/1399218380.db2.gz HDLOWKHBTYBQJM-UHFFFAOYSA-N 1 3 329.488 2.718 10 30 EFEEHO C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001507426787 1407041594 /nfs/dbraw/zinc/04/15/94/1407041594.db2.gz HDXXVQUGIVXGCN-APWZRJJASA-N 1 3 329.488 2.812 10 30 EFEEHO CC#CCNCc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001495496361 1400029533 /nfs/dbraw/zinc/02/95/33/1400029533.db2.gz RIGXEPKAJHRWQC-HXUWFJFHSA-N 1 3 341.499 2.679 10 30 EFEEHO CC#CCNCc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001495496361 1400029540 /nfs/dbraw/zinc/02/95/40/1400029540.db2.gz RIGXEPKAJHRWQC-HXUWFJFHSA-N 1 3 341.499 2.679 10 30 EFEEHO CC#CC[NH2+]Cc1ccc(CNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC001495508430 1400040960 /nfs/dbraw/zinc/04/09/60/1400040960.db2.gz IFSQEYUGEMDTLL-UHFFFAOYSA-N 1 3 349.478 2.791 10 30 EFEEHO C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001496288253 1400603954 /nfs/dbraw/zinc/60/39/54/1400603954.db2.gz LQQWSDKAWWSXNL-LPHOPBHVSA-N 1 3 341.515 2.896 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC(=C)C)C2CCCCC2)CC1 ZINC001496328105 1400643154 /nfs/dbraw/zinc/64/31/54/1400643154.db2.gz WWESIVREGMOEOW-HXUWFJFHSA-N 1 3 345.531 2.562 10 30 EFEEHO C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001496504715 1400780707 /nfs/dbraw/zinc/78/07/07/1400780707.db2.gz IXOHKQFEUFYRBW-UHFFFAOYSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[N@H+](C)CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001496504715 1400780713 /nfs/dbraw/zinc/78/07/13/1400780713.db2.gz IXOHKQFEUFYRBW-UHFFFAOYSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001496573191 1400837587 /nfs/dbraw/zinc/83/75/87/1400837587.db2.gz AXUVILDSQXEHEB-HOTGVXAUSA-N 1 3 329.916 2.590 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001496573191 1400837591 /nfs/dbraw/zinc/83/75/91/1400837591.db2.gz AXUVILDSQXEHEB-HOTGVXAUSA-N 1 3 329.916 2.590 10 30 EFEEHO CC#CCN1CCC([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001508063582 1407274015 /nfs/dbraw/zinc/27/40/15/1407274015.db2.gz JZMSAYZJDRQZOT-GOSISDBHSA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001499610641 1402715649 /nfs/dbraw/zinc/71/56/49/1402715649.db2.gz QZFHHVSJWASFLR-ICSRJNTNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001499610641 1402715653 /nfs/dbraw/zinc/71/56/53/1402715653.db2.gz QZFHHVSJWASFLR-ICSRJNTNSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCN(C(=O)[C@H]1CCCN1C(C)C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001500037233 1402908225 /nfs/dbraw/zinc/90/82/25/1402908225.db2.gz CJABPPIILKRRGN-UYAOXDASSA-N 1 3 347.547 2.832 10 30 EFEEHO C#CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CCN(CC(=C)C)CC1 ZINC001500051935 1402914559 /nfs/dbraw/zinc/91/45/59/1402914559.db2.gz MZXWYCIZDXWJGG-UYAOXDASSA-N 1 3 343.515 2.506 10 30 EFEEHO C#CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CCN(CC(=C)C)CC1 ZINC001500051935 1402914562 /nfs/dbraw/zinc/91/45/62/1402914562.db2.gz MZXWYCIZDXWJGG-UYAOXDASSA-N 1 3 343.515 2.506 10 30 EFEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001500057810 1402916406 /nfs/dbraw/zinc/91/64/06/1402916406.db2.gz NXVGHVYJIGUSIG-UHFFFAOYSA-N 1 3 347.547 2.689 10 30 EFEEHO CC#CC[NH+]1CCC(C)(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001500461926 1403138475 /nfs/dbraw/zinc/13/84/75/1403138475.db2.gz COZPESHOOPGSFA-UHFFFAOYSA-N 1 3 341.499 2.603 10 30 EFEEHO C#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001500519397 1403190158 /nfs/dbraw/zinc/19/01/58/1403190158.db2.gz NWNDLVDPHWZGPJ-FPOVZHCZSA-N 1 3 345.531 2.635 10 30 EFEEHO C#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001500519397 1403190163 /nfs/dbraw/zinc/19/01/63/1403190163.db2.gz NWNDLVDPHWZGPJ-FPOVZHCZSA-N 1 3 345.531 2.635 10 30 EFEEHO C=C(C)C[NH+]1CCC(C2(NC(=O)CN3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC001508161659 1407322643 /nfs/dbraw/zinc/32/26/43/1407322643.db2.gz DWOLQTDBPYONKT-IAGOWNOFSA-N 1 3 333.520 2.796 10 30 EFEEHO C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)C1(N(C)C)CCC1 ZINC001501663724 1403682324 /nfs/dbraw/zinc/68/23/24/1403682324.db2.gz ZBVIGCJVQLSWLO-UHFFFAOYSA-N 1 3 329.488 2.795 10 30 EFEEHO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C1(N(C)C)CCC1 ZINC001501663724 1403682337 /nfs/dbraw/zinc/68/23/37/1403682337.db2.gz ZBVIGCJVQLSWLO-UHFFFAOYSA-N 1 3 329.488 2.795 10 30 EFEEHO C#CC[NH2+][C@H](C)c1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001501678914 1403709732 /nfs/dbraw/zinc/70/97/32/1403709732.db2.gz IECYCZJGFOBDEP-MRXNPFEDSA-N 1 3 329.488 2.565 10 30 EFEEHO C#CCN1CCC(C(=O)NCc2ccc([C@@H](C)[NH2+]CCC)cc2)CC1 ZINC001501681425 1403714369 /nfs/dbraw/zinc/71/43/69/1403714369.db2.gz ITTKJYPVGWXEAT-QGZVFWFLSA-N 1 3 341.499 2.709 10 30 EFEEHO C=C(C)CC[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCC1 ZINC001502000018 1403939904 /nfs/dbraw/zinc/93/99/04/1403939904.db2.gz QOISJLFYNVKJPE-LJQANCHMSA-N 1 3 339.499 2.794 10 30 EFEEHO C=CCCC[NH+]1CCC2(CCN(C(=O)CN(C)CCC)CC2)CC1 ZINC001503764549 1404508082 /nfs/dbraw/zinc/50/80/82/1404508082.db2.gz RZFXVQMFEAHNAE-UHFFFAOYSA-N 1 3 335.536 2.999 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001505414596 1404573900 /nfs/dbraw/zinc/57/39/00/1404573900.db2.gz MJIIGTXLSHNOKQ-TZIWHRDSSA-N 1 3 341.499 2.809 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001565942364 1415460879 /nfs/dbraw/zinc/46/08/79/1415460879.db2.gz YELKKVSXRPBXLR-GOEBONIOSA-N 1 3 329.916 2.688 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001565942364 1415460880 /nfs/dbraw/zinc/46/08/80/1415460880.db2.gz YELKKVSXRPBXLR-GOEBONIOSA-N 1 3 329.916 2.688 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)CCC)C(C)(C)[C@H]21 ZINC001565994391 1415474004 /nfs/dbraw/zinc/47/40/04/1415474004.db2.gz FYFGWAMWNBRVRG-NEWSRXKRSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)CCC)C(C)(C)[C@H]21 ZINC001565994391 1415474005 /nfs/dbraw/zinc/47/40/05/1415474005.db2.gz FYFGWAMWNBRVRG-NEWSRXKRSA-N 1 3 335.536 2.900 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+][C@H](CC)c2ccccc2)CC1 ZINC001567081876 1415928202 /nfs/dbraw/zinc/92/82/02/1415928202.db2.gz CZGVALJVDNSMAW-FXAWDEMLSA-N 1 3 341.499 2.577 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)c1ccccc1 ZINC001567661489 1416235492 /nfs/dbraw/zinc/23/54/92/1416235492.db2.gz ZPSLPRJVEMWJGI-OALUTQOASA-N 1 3 329.488 2.740 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC001567661489 1416235497 /nfs/dbraw/zinc/23/54/97/1416235497.db2.gz ZPSLPRJVEMWJGI-OALUTQOASA-N 1 3 329.488 2.740 10 30 EFEEHO CC#CC[N@H+](C)CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001567752852 1416273131 /nfs/dbraw/zinc/27/31/31/1416273131.db2.gz YYOGUFJQDNOBSE-UHFFFAOYSA-N 1 3 341.499 2.556 10 30 EFEEHO CC#CC[N@@H+](C)CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001567752852 1416273134 /nfs/dbraw/zinc/27/31/34/1416273134.db2.gz YYOGUFJQDNOBSE-UHFFFAOYSA-N 1 3 341.499 2.556 10 30 EFEEHO C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001568067762 1416391584 /nfs/dbraw/zinc/39/15/84/1416391584.db2.gz ILBFEOJJIRYZHB-APWZRJJASA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001568154978 1416427110 /nfs/dbraw/zinc/42/71/10/1416427110.db2.gz BKJZPJMSEKPHID-RBUKOAKNSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001568154978 1416427112 /nfs/dbraw/zinc/42/71/12/1416427112.db2.gz BKJZPJMSEKPHID-RBUKOAKNSA-N 1 3 347.547 2.997 10 30 EFEEHO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001568300234 1416470234 /nfs/dbraw/zinc/47/02/34/1416470234.db2.gz NCXNWWZSLLLCCC-QAPCUYQASA-N 1 3 327.488 2.602 10 30 EFEEHO C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001568336219 1416481066 /nfs/dbraw/zinc/48/10/66/1416481066.db2.gz OTVDRLTXISTCJQ-VQIMIIECSA-N 1 3 341.515 2.896 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001690393875 1417209072 /nfs/dbraw/zinc/20/90/72/1417209072.db2.gz NVEVNRNRYPHCGQ-RBUKOAKNSA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001690393875 1417209077 /nfs/dbraw/zinc/20/90/77/1417209077.db2.gz NVEVNRNRYPHCGQ-RBUKOAKNSA-N 1 3 345.531 2.515 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001699020252 1417372523 /nfs/dbraw/zinc/37/25/23/1417372523.db2.gz MRJFAPFJRZATIS-ZWKOTPCHSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001699020252 1417372529 /nfs/dbraw/zinc/37/25/29/1417372529.db2.gz MRJFAPFJRZATIS-ZWKOTPCHSA-N 1 3 335.536 2.853 10 30 EFEEHO C#CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CCN(CC=C)CC1 ZINC001699781605 1417467923 /nfs/dbraw/zinc/46/79/23/1417467923.db2.gz YKNWPLPSBODJRM-UHFFFAOYSA-N 1 3 345.531 2.611 10 30 EFEEHO C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC001700099465 1417569087 /nfs/dbraw/zinc/56/90/87/1417569087.db2.gz NTOKPJFMRWZETJ-KRWDZBQOSA-N 1 3 349.478 2.962 10 30 EFEEHO C=C(Cl)CNCCC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001700709778 1417625684 /nfs/dbraw/zinc/62/56/84/1417625684.db2.gz VTMKNFCVWODEPW-QZTJIDSGSA-N 1 3 349.906 2.918 10 30 EFEEHO C=C(Cl)CNCCC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001700709778 1417625687 /nfs/dbraw/zinc/62/56/87/1417625687.db2.gz VTMKNFCVWODEPW-QZTJIDSGSA-N 1 3 349.906 2.918 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CCCC=C)C2)CC1 ZINC001713278689 1418448389 /nfs/dbraw/zinc/44/83/89/1418448389.db2.gz HDJPCKKXFQUUFZ-UYAOXDASSA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CCCC=C)C2)CC1 ZINC001713278689 1418448391 /nfs/dbraw/zinc/44/83/91/1418448391.db2.gz HDJPCKKXFQUUFZ-UYAOXDASSA-N 1 3 345.531 2.515 10 30 EFEEHO C=CCC[NH2+]C1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001713290190 1418456727 /nfs/dbraw/zinc/45/67/27/1418456727.db2.gz DAVYQACKYLZKRE-LADRWXRNSA-N 1 3 339.499 2.792 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001716705517 1418964133 /nfs/dbraw/zinc/96/41/33/1418964133.db2.gz BEWDTGQJIRRUAD-MOPGFXCFSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001716705517 1418964134 /nfs/dbraw/zinc/96/41/34/1418964134.db2.gz BEWDTGQJIRRUAD-MOPGFXCFSA-N 1 3 335.536 2.996 10 30 EFEEHO CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1C(C)C ZINC001716708456 1418966759 /nfs/dbraw/zinc/96/67/59/1418966759.db2.gz GEYIMFYSAYJTII-NXEWRWPSSA-N 1 3 345.531 2.774 10 30 EFEEHO C#CCN(C(=O)CN(C)CC(C)(C)C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001716808939 1419022756 /nfs/dbraw/zinc/02/27/56/1419022756.db2.gz NGZCNMIZXYAYGJ-SFHVURJKSA-N 1 3 349.563 2.937 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](C[C@@H](C)CC)C2)CC1 ZINC001716903143 1419088753 /nfs/dbraw/zinc/08/87/53/1419088753.db2.gz XXWRYAZLFPCFKD-GHTZIAJQSA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001716903143 1419088756 /nfs/dbraw/zinc/08/87/56/1419088756.db2.gz XXWRYAZLFPCFKD-GHTZIAJQSA-N 1 3 347.547 2.596 10 30 EFEEHO C=CCC[N@H+]1CCc2c(CNC(=O)CN(C)CCC)cccc2C1 ZINC001717144154 1419235894 /nfs/dbraw/zinc/23/58/94/1419235894.db2.gz YDCWZHBBYMNCOO-UHFFFAOYSA-N 1 3 329.488 2.579 10 30 EFEEHO C=CCC[N@@H+]1CCc2c(CNC(=O)CN(C)CCC)cccc2C1 ZINC001717144154 1419235895 /nfs/dbraw/zinc/23/58/95/1419235895.db2.gz YDCWZHBBYMNCOO-UHFFFAOYSA-N 1 3 329.488 2.579 10 30 EFEEHO C=CCCC[N@H+]1Cc2ccc(CNC(=O)CN3CC[C@@H](C)C3)cc2C1 ZINC001717271114 1419300429 /nfs/dbraw/zinc/30/04/29/1419300429.db2.gz XRHKBELNJOESRW-QGZVFWFLSA-N 1 3 341.499 2.926 10 30 EFEEHO C=CCCC[N@@H+]1Cc2ccc(CNC(=O)CN3CC[C@@H](C)C3)cc2C1 ZINC001717271114 1419300434 /nfs/dbraw/zinc/30/04/34/1419300434.db2.gz XRHKBELNJOESRW-QGZVFWFLSA-N 1 3 341.499 2.926 10 30 EFEEHO C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)CN3CC[C@H](C)C3)cc2C1 ZINC001717271005 1419300802 /nfs/dbraw/zinc/30/08/02/1419300802.db2.gz UBBRVYBADGVHOG-KRWDZBQOSA-N 1 3 341.499 2.926 10 30 EFEEHO C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)CN3CC[C@H](C)C3)cc2C1 ZINC001717271005 1419300804 /nfs/dbraw/zinc/30/08/04/1419300804.db2.gz UBBRVYBADGVHOG-KRWDZBQOSA-N 1 3 341.499 2.926 10 30 EFEEHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001717630788 1419479532 /nfs/dbraw/zinc/47/95/32/1419479532.db2.gz DGWPBFMUKVDPKH-BGYRXZFFSA-N 1 3 335.536 2.711 10 30 EFEEHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001717630788 1419479533 /nfs/dbraw/zinc/47/95/33/1419479533.db2.gz DGWPBFMUKVDPKH-BGYRXZFFSA-N 1 3 335.536 2.711 10 30 EFEEHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001723100916 1424423429 /nfs/dbraw/zinc/42/34/29/1424423429.db2.gz ITSPUUVZVUYTME-KRWDZBQOSA-N 1 3 341.927 2.974 10 30 EFEEHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001723100916 1424423433 /nfs/dbraw/zinc/42/34/33/1424423433.db2.gz ITSPUUVZVUYTME-KRWDZBQOSA-N 1 3 341.927 2.974 10 30 EFEEHO C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001723647343 1424545775 /nfs/dbraw/zinc/54/57/75/1424545775.db2.gz JJRMGXSGICBRLN-UHFFFAOYSA-N 1 3 333.520 2.750 10 30 EFEEHO C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001723647343 1424545779 /nfs/dbraw/zinc/54/57/79/1424545779.db2.gz JJRMGXSGICBRLN-UHFFFAOYSA-N 1 3 333.520 2.750 10 30 EFEEHO CC#CC[NH+]1CCC2(CCN(C(=O)CN(C)CCCCCC)C2)CC1 ZINC001723699679 1424561912 /nfs/dbraw/zinc/56/19/12/1424561912.db2.gz NLSDWYISJVOAIL-UHFFFAOYSA-N 1 3 347.547 2.836 10 30 EFEEHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001724325621 1424735546 /nfs/dbraw/zinc/73/55/46/1424735546.db2.gz ZTXMSBNUPAAQKD-CTNGQTDRSA-N 1 3 345.531 2.635 10 30 EFEEHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001724325621 1424735551 /nfs/dbraw/zinc/73/55/51/1424735551.db2.gz ZTXMSBNUPAAQKD-CTNGQTDRSA-N 1 3 345.531 2.635 10 30 EFEEHO C#CCC[NH+]1C2CCC1CC(CNC(=O)Cc1csc(CC)n1)C2 ZINC001724597871 1424814805 /nfs/dbraw/zinc/81/48/05/1424814805.db2.gz FDNBWVKBJZOKPY-ACHSLPGTSA-N 1 3 345.512 2.631 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1CCC ZINC001724654056 1424886862 /nfs/dbraw/zinc/88/68/62/1424886862.db2.gz SDBACVGEEHXAAJ-IPMKNSEASA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1CCC ZINC001724654056 1424886876 /nfs/dbraw/zinc/88/68/76/1424886876.db2.gz SDBACVGEEHXAAJ-IPMKNSEASA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001724654805 1424888801 /nfs/dbraw/zinc/88/88/01/1424888801.db2.gz JVJTUWJLVHVEAU-MSOLQXFVSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001724654805 1424888812 /nfs/dbraw/zinc/88/88/12/1424888812.db2.gz JVJTUWJLVHVEAU-MSOLQXFVSA-N 1 3 333.520 2.892 10 30 EFEEHO C=C(C)CC[N@H+]1CCc2c(CNC(=O)CN(C)C(C)C)cccc2C1 ZINC001724777791 1425005416 /nfs/dbraw/zinc/00/54/16/1425005416.db2.gz VEPHDXRNXBWHAM-UHFFFAOYSA-N 1 3 343.515 2.967 10 30 EFEEHO C=C(C)CC[N@@H+]1CCc2c(CNC(=O)CN(C)C(C)C)cccc2C1 ZINC001724777791 1425005425 /nfs/dbraw/zinc/00/54/25/1425005425.db2.gz VEPHDXRNXBWHAM-UHFFFAOYSA-N 1 3 343.515 2.967 10 30 EFEEHO C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001724856044 1425074135 /nfs/dbraw/zinc/07/41/35/1425074135.db2.gz QIVDHVAAIZNTBT-LJQANCHMSA-N 1 3 341.515 2.945 10 30 EFEEHO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001724856044 1425074140 /nfs/dbraw/zinc/07/41/40/1425074140.db2.gz QIVDHVAAIZNTBT-LJQANCHMSA-N 1 3 341.515 2.945 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001724900811 1425119791 /nfs/dbraw/zinc/11/97/91/1425119791.db2.gz RMGWTYCZVMDBJJ-QUCCMNQESA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001724900811 1425119801 /nfs/dbraw/zinc/11/98/01/1425119801.db2.gz RMGWTYCZVMDBJJ-QUCCMNQESA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC001724997967 1425208974 /nfs/dbraw/zinc/20/89/74/1425208974.db2.gz BLDACGAKVDQZBL-NVXWUHKLSA-N 1 3 332.492 2.976 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC001724997967 1425208979 /nfs/dbraw/zinc/20/89/79/1425208979.db2.gz BLDACGAKVDQZBL-NVXWUHKLSA-N 1 3 332.492 2.976 10 30 EFEEHO C=CC[NH2+][C@@H](CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001725213030 1425382281 /nfs/dbraw/zinc/38/22/81/1425382281.db2.gz IHMBCNVHUQOWKF-LPHOPBHVSA-N 1 3 341.515 2.848 10 30 EFEEHO C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001725345368 1425492623 /nfs/dbraw/zinc/49/26/23/1425492623.db2.gz LRYGKFVDOYVZTG-UHFFFAOYSA-N 1 3 330.476 2.623 10 30 EFEEHO C=CCCCCC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001725345368 1425492629 /nfs/dbraw/zinc/49/26/29/1425492629.db2.gz LRYGKFVDOYVZTG-UHFFFAOYSA-N 1 3 330.476 2.623 10 30 EFEEHO C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC001725345546 1425494474 /nfs/dbraw/zinc/49/44/74/1425494474.db2.gz JLEAQGOHMZWMFE-OYRHEFFESA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC001725345546 1425494477 /nfs/dbraw/zinc/49/44/77/1425494477.db2.gz JLEAQGOHMZWMFE-OYRHEFFESA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001725817906 1425876758 /nfs/dbraw/zinc/87/67/58/1425876758.db2.gz YZHVJSNFZAIEJQ-PKOBYXMFSA-N 1 3 333.520 2.964 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001725817906 1425876764 /nfs/dbraw/zinc/87/67/64/1425876764.db2.gz YZHVJSNFZAIEJQ-PKOBYXMFSA-N 1 3 333.520 2.964 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000907379545 726931926 /nfs/dbraw/zinc/93/19/26/726931926.db2.gz VFNHSMMYUJWRKQ-IBGZPJMESA-N 1 3 329.488 2.617 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC000913098129 727781041 /nfs/dbraw/zinc/78/10/41/727781041.db2.gz YTCUYVZETUKQPF-APWZRJJASA-N 1 3 329.488 2.521 10 30 EFEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001569357792 1085138339 /nfs/dbraw/zinc/13/83/39/1085138339.db2.gz QHTQNIAZZAPTEA-HKUYNNGSSA-N 1 3 333.520 2.798 10 30 EFEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001569357792 1085138346 /nfs/dbraw/zinc/13/83/46/1085138346.db2.gz QHTQNIAZZAPTEA-HKUYNNGSSA-N 1 3 333.520 2.798 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001569437121 1085214594 /nfs/dbraw/zinc/21/45/94/1085214594.db2.gz PRDGZKALEFWOPF-ICSRJNTNSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001569437121 1085214601 /nfs/dbraw/zinc/21/46/01/1085214601.db2.gz PRDGZKALEFWOPF-ICSRJNTNSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC(C)CC1 ZINC001569442629 1085221816 /nfs/dbraw/zinc/22/18/16/1085221816.db2.gz BOERDNJTKUOJGG-YQQQUEKLSA-N 1 3 333.520 2.796 10 30 EFEEHO C#CCN1CCC[C@@]2(CCN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001569466762 1085260845 /nfs/dbraw/zinc/26/08/45/1085260845.db2.gz DYMJLUUDCZVJJQ-OAQYLSRUSA-N 1 3 347.547 2.836 10 30 EFEEHO C#CCN(C(=O)CN1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCCCC)CC1 ZINC001569595963 1085419634 /nfs/dbraw/zinc/41/96/34/1085419634.db2.gz IZHBKEYQFQWRBL-OALUTQOASA-N 1 3 347.547 2.976 10 30 EFEEHO C=CCCC[N@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001569655848 1085490420 /nfs/dbraw/zinc/49/04/20/1085490420.db2.gz XTDDLMHINQZHPN-FQEVSTJZSA-N 1 3 329.488 2.909 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001569655848 1085490426 /nfs/dbraw/zinc/49/04/26/1085490426.db2.gz XTDDLMHINQZHPN-FQEVSTJZSA-N 1 3 329.488 2.909 10 30 EFEEHO C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001569877396 1085709680 /nfs/dbraw/zinc/70/96/80/1085709680.db2.gz LHVOVVFKLCSEEA-OTWHNJEPSA-N 1 3 335.536 2.709 10 30 EFEEHO C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001569877396 1085709689 /nfs/dbraw/zinc/70/96/89/1085709689.db2.gz LHVOVVFKLCSEEA-OTWHNJEPSA-N 1 3 335.536 2.709 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001570026834 1085876566 /nfs/dbraw/zinc/87/65/66/1085876566.db2.gz LLILUVJXFJLHCC-UXHICEINSA-N 1 3 341.499 2.938 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001570026834 1085876576 /nfs/dbraw/zinc/87/65/76/1085876576.db2.gz LLILUVJXFJLHCC-UXHICEINSA-N 1 3 341.499 2.938 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001570026833 1085876775 /nfs/dbraw/zinc/87/67/75/1085876775.db2.gz LLILUVJXFJLHCC-PMACEKPBSA-N 1 3 341.499 2.938 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001570026833 1085876780 /nfs/dbraw/zinc/87/67/80/1085876780.db2.gz LLILUVJXFJLHCC-PMACEKPBSA-N 1 3 341.499 2.938 10 30 EFEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001570031450 1085883901 /nfs/dbraw/zinc/88/39/01/1085883901.db2.gz PJEASIYADXZDLP-PXNSSMCTSA-N 1 3 341.499 2.850 10 30 EFEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001570031450 1085883910 /nfs/dbraw/zinc/88/39/10/1085883910.db2.gz PJEASIYADXZDLP-PXNSSMCTSA-N 1 3 341.499 2.850 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001570220921 1086062403 /nfs/dbraw/zinc/06/24/03/1086062403.db2.gz YETZARFGXYBJTH-RTBURBONSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001570220921 1086062413 /nfs/dbraw/zinc/06/24/13/1086062413.db2.gz YETZARFGXYBJTH-RTBURBONSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001570220450 1086062744 /nfs/dbraw/zinc/06/27/44/1086062744.db2.gz RVVZAKSCMVDOEP-MOPGFXCFSA-N 1 3 347.547 2.548 10 30 EFEEHO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001570220450 1086062752 /nfs/dbraw/zinc/06/27/52/1086062752.db2.gz RVVZAKSCMVDOEP-MOPGFXCFSA-N 1 3 347.547 2.548 10 30 EFEEHO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001570544575 1086340021 /nfs/dbraw/zinc/34/00/21/1086340021.db2.gz ZCPVQMNKIMGJPB-RBUKOAKNSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001570544575 1086340033 /nfs/dbraw/zinc/34/00/33/1086340033.db2.gz ZCPVQMNKIMGJPB-RBUKOAKNSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001570550909 1086351341 /nfs/dbraw/zinc/35/13/41/1086351341.db2.gz GZNZMJPBFXYUHU-RBUKOAKNSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001570550909 1086351355 /nfs/dbraw/zinc/35/13/55/1086351355.db2.gz GZNZMJPBFXYUHU-RBUKOAKNSA-N 1 3 335.536 2.855 10 30 EFEEHO C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001570553057 1086358720 /nfs/dbraw/zinc/35/87/20/1086358720.db2.gz BQRNBCKHSPAGCA-IBGZPJMESA-N 1 3 347.547 2.548 10 30 EFEEHO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001570553057 1086358729 /nfs/dbraw/zinc/35/87/29/1086358729.db2.gz BQRNBCKHSPAGCA-IBGZPJMESA-N 1 3 347.547 2.548 10 30 EFEEHO C=CCCC[NH2+]CC1CC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001570572184 1086374235 /nfs/dbraw/zinc/37/42/35/1086374235.db2.gz VZDMUVGNWILHOF-RJYAGPCLSA-N 1 3 339.499 2.650 10 30 EFEEHO C#CCNC[C@@H](CCCC)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001570812346 1086534343 /nfs/dbraw/zinc/53/43/43/1086534343.db2.gz PUOHCNHPYMMTRM-MJGOQNOKSA-N 1 3 333.520 2.681 10 30 EFEEHO C#CCNC[C@@H](CCCC)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001570812346 1086534348 /nfs/dbraw/zinc/53/43/48/1086534348.db2.gz PUOHCNHPYMMTRM-MJGOQNOKSA-N 1 3 333.520 2.681 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001570966060 1086625754 /nfs/dbraw/zinc/62/57/54/1086625754.db2.gz RTXDRZYLWABNFB-OWZKRDHZSA-N 1 3 341.499 2.622 10 30 EFEEHO C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001570966060 1086625759 /nfs/dbraw/zinc/62/57/59/1086625759.db2.gz RTXDRZYLWABNFB-OWZKRDHZSA-N 1 3 341.499 2.622 10 30 EFEEHO C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC001571467034 1086841751 /nfs/dbraw/zinc/84/17/51/1086841751.db2.gz FASURWOJEMLIFN-VQIMIIECSA-N 1 3 329.488 2.907 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001571687150 1087049148 /nfs/dbraw/zinc/04/91/48/1087049148.db2.gz VAGGWJDMUWOPJG-HKUYNNGSSA-N 1 3 333.520 2.962 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001571687150 1087049152 /nfs/dbraw/zinc/04/91/52/1087049152.db2.gz VAGGWJDMUWOPJG-HKUYNNGSSA-N 1 3 333.520 2.962 10 30 EFEEHO CC#CCN(C)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001267107292 1092749763 /nfs/dbraw/zinc/74/97/63/1092749763.db2.gz BTSXFSWGGDENAS-IBGZPJMESA-N 1 3 333.520 2.587 10 30 EFEEHO CC#CCN(C)[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001267107292 1092749767 /nfs/dbraw/zinc/74/97/67/1092749767.db2.gz BTSXFSWGGDENAS-IBGZPJMESA-N 1 3 333.520 2.587 10 30 EFEEHO C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001267200344 1093173660 /nfs/dbraw/zinc/17/36/60/1093173660.db2.gz BTQHMVUXQQZIFN-KXBFYZLASA-N 1 3 339.499 2.602 10 30 EFEEHO CC#CC[NH2+][C@H](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001267222249 1093251541 /nfs/dbraw/zinc/25/15/41/1093251541.db2.gz JVFHIHWUFPSGQY-QGZVFWFLSA-N 1 3 341.499 2.602 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001481111640 1094606625 /nfs/dbraw/zinc/60/66/25/1094606625.db2.gz IZNYMYBZYBBJSL-VQIMIIECSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001481111640 1094606636 /nfs/dbraw/zinc/60/66/36/1094606636.db2.gz IZNYMYBZYBBJSL-VQIMIIECSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001268046916 1094895731 /nfs/dbraw/zinc/89/57/31/1094895731.db2.gz PAXCIEBSOWTLPH-ROUUACIJSA-N 1 3 335.536 2.852 10 30 EFEEHO C#CCCN[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)c1ccccc1 ZINC001267518885 1095202286 /nfs/dbraw/zinc/20/22/86/1095202286.db2.gz DWBFBWBCZZHRII-UXHICEINSA-N 1 3 341.499 2.579 10 30 EFEEHO C#CCCN[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC001267518885 1095202301 /nfs/dbraw/zinc/20/23/01/1095202301.db2.gz DWBFBWBCZZHRII-UXHICEINSA-N 1 3 341.499 2.579 10 30 EFEEHO C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001267707962 1095557087 /nfs/dbraw/zinc/55/70/87/1095557087.db2.gz ILWZWIUCLNWEJJ-GOSISDBHSA-N 1 3 329.488 2.718 10 30 EFEEHO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001267707962 1095557100 /nfs/dbraw/zinc/55/71/00/1095557100.db2.gz ILWZWIUCLNWEJJ-GOSISDBHSA-N 1 3 329.488 2.718 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@@H]2CC[N@@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001267572114 1095712717 /nfs/dbraw/zinc/71/27/17/1095712717.db2.gz WRCYPSOOEDXIQS-RBUKOAKNSA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@@H]2CC[N@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001267572114 1095712730 /nfs/dbraw/zinc/71/27/30/1095712730.db2.gz WRCYPSOOEDXIQS-RBUKOAKNSA-N 1 3 345.531 2.515 10 30 EFEEHO C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267588524 1096009600 /nfs/dbraw/zinc/00/96/00/1096009600.db2.gz CLJRBISACUQXRT-LPHOPBHVSA-N 1 3 339.499 2.555 10 30 EFEEHO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267588524 1096009612 /nfs/dbraw/zinc/00/96/12/1096009612.db2.gz CLJRBISACUQXRT-LPHOPBHVSA-N 1 3 339.499 2.555 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]CC2CCCCCC2)CC1 ZINC001268427586 1096584792 /nfs/dbraw/zinc/58/47/92/1096584792.db2.gz YCNCEOXCKILBQP-GOSISDBHSA-N 1 3 347.547 2.786 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481985975 1097048870 /nfs/dbraw/zinc/04/88/70/1097048870.db2.gz IILNVWLVXZEJTJ-KRWDZBQOSA-N 1 3 341.927 2.689 10 30 EFEEHO C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001481990999 1097056704 /nfs/dbraw/zinc/05/67/04/1097056704.db2.gz IAUSBVOFHIGZTQ-SFHVURJKSA-N 1 3 341.499 2.603 10 30 EFEEHO CC#CCNCc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001482035001 1097135261 /nfs/dbraw/zinc/13/52/61/1097135261.db2.gz KBRGRXZMYCPJMI-VQTJNVASSA-N 1 3 341.499 2.536 10 30 EFEEHO C#CCC[NH2+]Cc1ccc(CNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC001482035949 1097136168 /nfs/dbraw/zinc/13/61/68/1097136168.db2.gz QMABEYRAMOIMQE-UHFFFAOYSA-N 1 3 349.478 2.791 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001269553541 1098243335 /nfs/dbraw/zinc/24/33/35/1098243335.db2.gz VUBPHIJOSDHVKB-IBGZPJMESA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001269553541 1098243340 /nfs/dbraw/zinc/24/33/40/1098243340.db2.gz VUBPHIJOSDHVKB-IBGZPJMESA-N 1 3 347.547 2.997 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001482232111 1098263434 /nfs/dbraw/zinc/26/34/34/1098263434.db2.gz ALAKISSJOVKXGN-HOTGVXAUSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001482232111 1098263438 /nfs/dbraw/zinc/26/34/38/1098263438.db2.gz ALAKISSJOVKXGN-HOTGVXAUSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001269634044 1098310988 /nfs/dbraw/zinc/31/09/88/1098310988.db2.gz JLFIQEHCKBQDRQ-RBUKOAKNSA-N 1 3 339.499 2.650 10 30 EFEEHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001269693299 1098373774 /nfs/dbraw/zinc/37/37/74/1098373774.db2.gz SMNWKXWFUQBXKR-HXUWFJFHSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001269693299 1098373782 /nfs/dbraw/zinc/37/37/82/1098373782.db2.gz SMNWKXWFUQBXKR-HXUWFJFHSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001267914482 1098605834 /nfs/dbraw/zinc/60/58/34/1098605834.db2.gz HUNJIVVHRNCMEX-MSOLQXFVSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001267947558 1098796525 /nfs/dbraw/zinc/79/65/25/1098796525.db2.gz WNIOZMJCOGWSMB-QZTJIDSGSA-N 1 3 335.536 2.901 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC2CC[NH+](CCCCC)CC2)CC1 ZINC001267948677 1098804503 /nfs/dbraw/zinc/80/45/03/1098804503.db2.gz OJYZXUCTKLJQFW-UHFFFAOYSA-N 1 3 347.547 2.740 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CCCN1C(C)C)C1CC[NH+](CCCC=C)CC1 ZINC001270315048 1098948314 /nfs/dbraw/zinc/94/83/14/1098948314.db2.gz DXIVYZHORZLLCH-FQEVSTJZSA-N 1 3 345.531 2.752 10 30 EFEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001270359086 1099003772 /nfs/dbraw/zinc/00/37/72/1099003772.db2.gz RSSWGJMMXZCNLL-IEBWSBKVSA-N 1 3 333.520 2.608 10 30 EFEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1CCCC1 ZINC001270439875 1099091795 /nfs/dbraw/zinc/09/17/95/1099091795.db2.gz BZAFEFUXJSCVMM-HKUYNNGSSA-N 1 3 333.520 2.539 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]C[C@H](C)CC)C2CCCC2)CC1 ZINC001270459022 1099111983 /nfs/dbraw/zinc/11/19/83/1099111983.db2.gz YJGFEUVJCAJPDL-XLIONFOSSA-N 1 3 347.547 2.642 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001270513006 1099164017 /nfs/dbraw/zinc/16/40/17/1099164017.db2.gz MSTOMXKSNAYVBO-PZJWPPBQSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001270513006 1099164021 /nfs/dbraw/zinc/16/40/21/1099164021.db2.gz MSTOMXKSNAYVBO-PZJWPPBQSA-N 1 3 347.547 2.999 10 30 EFEEHO C=C(C)CC[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001481370464 1099501307 /nfs/dbraw/zinc/50/13/07/1099501307.db2.gz FRBYSQWPEQSJRX-MJGOQNOKSA-N 1 3 329.488 2.742 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001481370890 1099503708 /nfs/dbraw/zinc/50/37/08/1099503708.db2.gz NTJXEEABGKPWPM-MOPGFXCFSA-N 1 3 329.488 2.882 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001481370890 1099503714 /nfs/dbraw/zinc/50/37/14/1099503714.db2.gz NTJXEEABGKPWPM-MOPGFXCFSA-N 1 3 329.488 2.882 10 30 EFEEHO CC[C@H](C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1)[NH+](CC)CC ZINC001482330855 1099627111 /nfs/dbraw/zinc/62/71/11/1099627111.db2.gz NCUADQGQCHZGBU-AZUAARDMSA-N 1 3 343.515 2.595 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1CC ZINC001670587018 1101370387 /nfs/dbraw/zinc/37/03/87/1101370387.db2.gz DRNGYUNOZMUWJA-RBUKOAKNSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001266371161 1101763436 /nfs/dbraw/zinc/76/34/36/1101763436.db2.gz TUZBTWZHLUVMTI-ZWKOTPCHSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001266379988 1101790018 /nfs/dbraw/zinc/79/00/18/1101790018.db2.gz OZNDBLUSXSAVSB-SFHVURJKSA-N 1 3 344.503 2.978 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001656398567 1102050910 /nfs/dbraw/zinc/05/09/10/1102050910.db2.gz LXHJUYOFNOTNJQ-SFHVURJKSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271665278 1102227227 /nfs/dbraw/zinc/22/72/27/1102227227.db2.gz JRGLRTXKMFLFAE-MOPGFXCFSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001657076411 1102311724 /nfs/dbraw/zinc/31/17/24/1102311724.db2.gz WOMMETDEDNMFLX-QFBILLFUSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001657076411 1102311737 /nfs/dbraw/zinc/31/17/37/1102311737.db2.gz WOMMETDEDNMFLX-QFBILLFUSA-N 1 3 339.499 2.698 10 30 EFEEHO C=C(C)CC[NH2+]C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001670523404 1102799636 /nfs/dbraw/zinc/79/96/36/1102799636.db2.gz XGMLRYQVIZOXLE-LPHOPBHVSA-N 1 3 339.499 2.650 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CCCC(C)C)C2)CC1 ZINC001661752508 1103408493 /nfs/dbraw/zinc/40/84/93/1103408493.db2.gz KSIHGJCVRKPNHQ-IBGZPJMESA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCCC(C)C)C2)CC1 ZINC001661752508 1103408497 /nfs/dbraw/zinc/40/84/97/1103408497.db2.gz KSIHGJCVRKPNHQ-IBGZPJMESA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)CC2CCCCCC2)CC1 ZINC001483421460 1103674550 /nfs/dbraw/zinc/67/45/50/1103674550.db2.gz QAUNEVMOYBNQOW-GOSISDBHSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC2CCCCCC2)CC1 ZINC001483421460 1103674556 /nfs/dbraw/zinc/67/45/56/1103674556.db2.gz QAUNEVMOYBNQOW-GOSISDBHSA-N 1 3 347.547 2.739 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001482571367 1103693781 /nfs/dbraw/zinc/69/37/81/1103693781.db2.gz LNVGXPDKTMXXIO-SJORKVTESA-N 1 3 343.943 2.980 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCCCCC)C2)CC1 ZINC001662797000 1103821623 /nfs/dbraw/zinc/82/16/23/1103821623.db2.gz KIZUNCHMMSTYGC-PMACEKPBSA-N 1 3 347.547 2.929 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001663013905 1103922152 /nfs/dbraw/zinc/92/21/52/1103922152.db2.gz HTJXODBAUPOSLJ-GOSISDBHSA-N 1 3 347.547 2.786 10 30 EFEEHO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001664185718 1104309255 /nfs/dbraw/zinc/30/92/55/1104309255.db2.gz ABQMEZVCKCTICZ-QAPCUYQASA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCCC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001665844389 1104793070 /nfs/dbraw/zinc/79/30/70/1104793070.db2.gz JANKTNMKKFZKSD-CRAIPNDOSA-N 1 3 327.488 2.650 10 30 EFEEHO C#CC[NH2+]C[C@@]1(NC(=O)c2cccc(CN(C)C)c2)CCCC[C@@H]1C ZINC001666067021 1104848002 /nfs/dbraw/zinc/84/80/02/1104848002.db2.gz BFMJCZQYAQFEMW-UWJYYQICSA-N 1 3 341.499 2.650 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC2CC[NH+](C[C@H](C)CC)CC2)CC1 ZINC001666389979 1104938352 /nfs/dbraw/zinc/93/83/52/1104938352.db2.gz STCLDDFGWOFEKR-GOSISDBHSA-N 1 3 347.547 2.596 10 30 EFEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1CCCCC1 ZINC001667145170 1105062619 /nfs/dbraw/zinc/06/26/19/1105062619.db2.gz YVYCLFCUDKJPDS-ICSRJNTNSA-N 1 3 347.547 2.929 10 30 EFEEHO C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001670250023 1105604669 /nfs/dbraw/zinc/60/46/69/1105604669.db2.gz RAIJJHPCGMWUHH-LPHOPBHVSA-N 1 3 341.515 2.992 10 30 EFEEHO C#CCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CCCCCC)CC1 ZINC001671491581 1105644898 /nfs/dbraw/zinc/64/48/98/1105644898.db2.gz DRFMKSZPXLSIPE-LJQANCHMSA-N 1 3 347.547 2.835 10 30 EFEEHO C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001671917285 1105731036 /nfs/dbraw/zinc/73/10/36/1105731036.db2.gz ZFZAVQLIMDIECQ-NRFANRHFSA-N 1 3 341.499 2.603 10 30 EFEEHO C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001671917285 1105731039 /nfs/dbraw/zinc/73/10/39/1105731039.db2.gz ZFZAVQLIMDIECQ-NRFANRHFSA-N 1 3 341.499 2.603 10 30 EFEEHO CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001672356138 1105811563 /nfs/dbraw/zinc/81/15/63/1105811563.db2.gz OHCZPZJKFUNGRO-HAGHYFMRSA-N 1 3 345.531 2.633 10 30 EFEEHO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001672356138 1105811565 /nfs/dbraw/zinc/81/15/65/1105811565.db2.gz OHCZPZJKFUNGRO-HAGHYFMRSA-N 1 3 345.531 2.633 10 30 EFEEHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001674033026 1106128086 /nfs/dbraw/zinc/12/80/86/1106128086.db2.gz DTTMOXSMCRZEBX-OALUTQOASA-N 1 3 347.547 2.737 10 30 EFEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001674033026 1106128087 /nfs/dbraw/zinc/12/80/87/1106128087.db2.gz DTTMOXSMCRZEBX-OALUTQOASA-N 1 3 347.547 2.737 10 30 EFEEHO C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001675793029 1106423656 /nfs/dbraw/zinc/42/36/56/1106423656.db2.gz VZDMUVGNWILHOF-GPMSIDNRSA-N 1 3 339.499 2.650 10 30 EFEEHO C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001675986106 1106461450 /nfs/dbraw/zinc/46/14/50/1106461450.db2.gz MTGIEGLJPNMPTM-CVEARBPZSA-N 1 3 329.916 2.878 10 30 EFEEHO C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001675986108 1106461479 /nfs/dbraw/zinc/46/14/79/1106461479.db2.gz MTGIEGLJPNMPTM-HZPDHXFCSA-N 1 3 329.916 2.878 10 30 EFEEHO C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC001676837693 1106599072 /nfs/dbraw/zinc/59/90/72/1106599072.db2.gz LSCDEQWHJRRKTD-FGTMMUONSA-N 1 3 333.520 2.654 10 30 EFEEHO C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC001676837696 1106599193 /nfs/dbraw/zinc/59/91/93/1106599193.db2.gz LSCDEQWHJRRKTD-RCCFBDPRSA-N 1 3 333.520 2.654 10 30 EFEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001677307264 1106695418 /nfs/dbraw/zinc/69/54/18/1106695418.db2.gz ZKSZFZPOJAYFHX-QZTJIDSGSA-N 1 3 335.536 2.641 10 30 EFEEHO CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001272226422 1108328793 /nfs/dbraw/zinc/32/87/93/1108328793.db2.gz ROFGEMYVZLQGSI-AEFFLSMTSA-N 1 3 332.492 2.845 10 30 EFEEHO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001272226422 1108328806 /nfs/dbraw/zinc/32/88/06/1108328806.db2.gz ROFGEMYVZLQGSI-AEFFLSMTSA-N 1 3 332.492 2.845 10 30 EFEEHO C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001272565864 1108673764 /nfs/dbraw/zinc/67/37/64/1108673764.db2.gz PIFCSBNZROWBCU-LPHOPBHVSA-N 1 3 339.499 2.603 10 30 EFEEHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CC/C=C\CC)CC1 ZINC001483987010 1112632167 /nfs/dbraw/zinc/63/21/67/1112632167.db2.gz AWUDPQLYRJWMGD-VJIACCKLSA-N 1 3 333.520 2.609 10 30 EFEEHO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001484552046 1113004871 /nfs/dbraw/zinc/00/48/71/1113004871.db2.gz UVEACRHQGOGWPD-QGZVFWFLSA-N 1 3 329.488 2.766 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001485029193 1117954328 /nfs/dbraw/zinc/95/43/28/1117954328.db2.gz KHWFGTITDHXNLD-IEBWSBKVSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001485029193 1117954332 /nfs/dbraw/zinc/95/43/32/1117954332.db2.gz KHWFGTITDHXNLD-IEBWSBKVSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001485085299 1118024497 /nfs/dbraw/zinc/02/44/97/1118024497.db2.gz ZQVZJVLJUXTQHX-RBUKOAKNSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001485085299 1118024502 /nfs/dbraw/zinc/02/45/02/1118024502.db2.gz ZQVZJVLJUXTQHX-RBUKOAKNSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001485085768 1118025415 /nfs/dbraw/zinc/02/54/15/1118025415.db2.gz WKMXUMHWCOXBAU-PMACEKPBSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001485085768 1118025419 /nfs/dbraw/zinc/02/54/19/1118025419.db2.gz WKMXUMHWCOXBAU-PMACEKPBSA-N 1 3 347.547 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCC2CCCC2)CC1 ZINC001485230729 1118156369 /nfs/dbraw/zinc/15/63/69/1118156369.db2.gz XIZYVDKLNDLNGZ-QZTJIDSGSA-N 1 3 347.547 2.785 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCCC(C)(C)C)CC1 ZINC001485387829 1118327807 /nfs/dbraw/zinc/32/78/07/1118327807.db2.gz IXTNFEGEWYAYRF-QGZVFWFLSA-N 1 3 335.536 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCCC(C)(C)C)CC1 ZINC001485387829 1118327812 /nfs/dbraw/zinc/32/78/12/1118327812.db2.gz IXTNFEGEWYAYRF-QGZVFWFLSA-N 1 3 335.536 2.594 10 30 EFEEHO C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001485653962 1118501115 /nfs/dbraw/zinc/50/11/15/1118501115.db2.gz OXEGSJIMNKUGIY-RCCFBDPRSA-N 1 3 333.520 2.654 10 30 EFEEHO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001485653962 1118501119 /nfs/dbraw/zinc/50/11/19/1118501119.db2.gz OXEGSJIMNKUGIY-RCCFBDPRSA-N 1 3 333.520 2.654 10 30 EFEEHO C=CCCCCC[N@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001485664679 1118513109 /nfs/dbraw/zinc/51/31/09/1118513109.db2.gz ZOKFVFKTLWKLFO-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001485664679 1118513112 /nfs/dbraw/zinc/51/31/12/1118513112.db2.gz ZOKFVFKTLWKLFO-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H](C)CC)CC2(C)C)CC1 ZINC000941237445 1118695717 /nfs/dbraw/zinc/69/57/17/1118695717.db2.gz NMKGULZRIKQHSZ-IEBWSBKVSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H](C)CC)CC2(C)C)CC1 ZINC000941237445 1118695718 /nfs/dbraw/zinc/69/57/18/1118695718.db2.gz NMKGULZRIKQHSZ-IEBWSBKVSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](C)CC)CC2(C)C)CC1 ZINC000941237446 1118695816 /nfs/dbraw/zinc/69/58/16/1118695816.db2.gz NMKGULZRIKQHSZ-MJGOQNOKSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)CC)CC2(C)C)CC1 ZINC000941237446 1118695817 /nfs/dbraw/zinc/69/58/17/1118695817.db2.gz NMKGULZRIKQHSZ-MJGOQNOKSA-N 1 3 347.547 2.594 10 30 EFEEHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NCCN1CCCCC1 ZINC000329005270 241284902 /nfs/dbraw/zinc/28/49/02/241284902.db2.gz MNPOJRZCHVMZJQ-XHSDSOJGSA-N 1 3 338.496 2.504 10 30 EFEEHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NCCN1CCCCC1 ZINC000329005270 241284909 /nfs/dbraw/zinc/28/49/09/241284909.db2.gz MNPOJRZCHVMZJQ-XHSDSOJGSA-N 1 3 338.496 2.504 10 30 EFEEHO C=CCN(Cc1ccc(Cl)s1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414674640 244285137 /nfs/dbraw/zinc/28/51/37/244285137.db2.gz DYJKJIHSHGHQEF-CYBMUJFWSA-N 1 3 341.908 2.587 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000107848187 472987449 /nfs/dbraw/zinc/98/74/49/472987449.db2.gz PHHBGYVWQKFXJY-LJQANCHMSA-N 1 3 348.535 2.687 10 30 EFEEHO C[C@@H]1CCC[N@H+](CCCCNCc2cnc3ccc(C#N)cn23)C1 ZINC000123313560 473126027 /nfs/dbraw/zinc/12/60/27/473126027.db2.gz UBXYLLYROVYFKU-MRXNPFEDSA-N 1 3 325.460 2.808 10 30 EFEEHO C[C@@H]1CCC[N@@H+](CCCCNCc2cnc3ccc(C#N)cn23)C1 ZINC000123313560 473126032 /nfs/dbraw/zinc/12/60/32/473126032.db2.gz UBXYLLYROVYFKU-MRXNPFEDSA-N 1 3 325.460 2.808 10 30 EFEEHO C(#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777445 480042966 /nfs/dbraw/zinc/04/29/66/480042966.db2.gz FGDYWEFRVOAXSM-BDXSIMOUSA-N 1 3 336.570 2.930 10 30 EFEEHO C(#CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2)CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777445 480042973 /nfs/dbraw/zinc/04/29/73/480042973.db2.gz FGDYWEFRVOAXSM-BDXSIMOUSA-N 1 3 336.570 2.930 10 30 EFEEHO C=CCOc1ccccc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415121918 476907819 /nfs/dbraw/zinc/90/78/19/476907819.db2.gz HTMKMYJUGZWOTC-QUCCMNQESA-N 1 3 330.472 2.970 10 30 EFEEHO C=CCOc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415128556 476908810 /nfs/dbraw/zinc/90/88/10/476908810.db2.gz SHQBAPZCEUYEFI-AZUAARDMSA-N 1 3 330.472 2.970 10 30 EFEEHO C=CCOc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415126811 476909988 /nfs/dbraw/zinc/90/99/88/476909988.db2.gz MKAWTKCZDCKAFQ-WOJBJXKFSA-N 1 3 330.472 2.970 10 30 EFEEHO C=CCOc1ccccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247939 477879704 /nfs/dbraw/zinc/87/97/04/477879704.db2.gz DXYRQXOFQMZZJI-IBGZPJMESA-N 1 3 330.472 2.842 10 30 EFEEHO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000516861384 477998026 /nfs/dbraw/zinc/99/80/26/477998026.db2.gz ASNDGUCLNLPBIS-AGERRDQYSA-N 1 3 328.460 2.750 10 30 EFEEHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594437062 478386577 /nfs/dbraw/zinc/38/65/77/478386577.db2.gz HWGCDTMGPJODPJ-RDJZCZTQSA-N 1 3 330.476 2.643 10 30 EFEEHO N#CCCCC[C@H](N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000594438010 478386672 /nfs/dbraw/zinc/38/66/72/478386672.db2.gz QUJVQWKXTXXUPX-SFHVURJKSA-N 1 3 328.460 2.675 10 30 EFEEHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594439212 478388700 /nfs/dbraw/zinc/38/87/00/478388700.db2.gz UEGPIILUIDEIJD-APWZRJJASA-N 1 3 342.487 2.739 10 30 EFEEHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594439086 478388886 /nfs/dbraw/zinc/38/88/86/478388886.db2.gz SGNYBJUYBSHFSN-FGTMMUONSA-N 1 3 334.508 2.511 10 30 EFEEHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594439086 478388892 /nfs/dbraw/zinc/38/88/92/478388892.db2.gz SGNYBJUYBSHFSN-FGTMMUONSA-N 1 3 334.508 2.511 10 30 EFEEHO N#CCCCC[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000594441096 478390361 /nfs/dbraw/zinc/39/03/61/478390361.db2.gz MNUCOJYJDGAFDV-LJQANCHMSA-N 1 3 342.487 2.700 10 30 EFEEHO N#CCCCC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000594441142 478390713 /nfs/dbraw/zinc/39/07/13/478390713.db2.gz NQYQMIJABRYAQP-LJQANCHMSA-N 1 3 342.487 2.700 10 30 EFEEHO N#CCCCC[C@H]([NH3+])C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000594441937 478391350 /nfs/dbraw/zinc/39/13/50/478391350.db2.gz YWNDYAQFPXPPCH-RBUKOAKNSA-N 1 3 342.487 2.741 10 30 EFEEHO CN1CCC(N2CC[C@@H]([NH2+]Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000594499948 478414079 /nfs/dbraw/zinc/41/40/79/478414079.db2.gz FUEQBTNHGRFHOB-LJQANCHMSA-N 1 3 340.515 2.746 10 30 EFEEHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595067645 478649351 /nfs/dbraw/zinc/64/93/51/478649351.db2.gz HQNSROQLRZARFQ-IIBYNOLFSA-N 1 3 335.451 2.976 10 30 EFEEHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595067645 478649361 /nfs/dbraw/zinc/64/93/61/478649361.db2.gz HQNSROQLRZARFQ-IIBYNOLFSA-N 1 3 335.451 2.976 10 30 EFEEHO N#Cc1ccc2c(c1)[C@@H](NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000595066868 478649857 /nfs/dbraw/zinc/64/98/57/478649857.db2.gz FXCHJHUOGIHWGG-UNMCSNQZSA-N 1 3 347.462 2.902 10 30 EFEEHO N#Cc1ccc2c(c1)[C@@H](NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000595066868 478649863 /nfs/dbraw/zinc/64/98/63/478649863.db2.gz FXCHJHUOGIHWGG-UNMCSNQZSA-N 1 3 347.462 2.902 10 30 EFEEHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(C#N)c1 ZINC000595069883 478650899 /nfs/dbraw/zinc/65/08/99/478650899.db2.gz LWKJMWLAYUOZDB-IIBYNOLFSA-N 1 3 335.451 2.976 10 30 EFEEHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(C#N)c1 ZINC000595069883 478650904 /nfs/dbraw/zinc/65/09/04/478650904.db2.gz LWKJMWLAYUOZDB-IIBYNOLFSA-N 1 3 335.451 2.976 10 30 EFEEHO CCC1([NH+](C)C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000601791883 479007907 /nfs/dbraw/zinc/00/79/07/479007907.db2.gz PGNINQVHNZDUJX-GOSISDBHSA-N 1 3 338.455 2.573 10 30 EFEEHO CN(C)CCC[N@H+](C)CCNc1cc(C#N)ccc1C(F)(F)F ZINC000596424321 479288892 /nfs/dbraw/zinc/28/88/92/479288892.db2.gz HUAHXJBWFVDDMB-UHFFFAOYSA-N 1 3 328.382 2.872 10 30 EFEEHO CN(C)CCC[N@@H+](C)CCNc1cc(C#N)ccc1C(F)(F)F ZINC000596424321 479288898 /nfs/dbraw/zinc/28/88/98/479288898.db2.gz HUAHXJBWFVDDMB-UHFFFAOYSA-N 1 3 328.382 2.872 10 30 EFEEHO CN(C)CCC[N@H+](C)CCNc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000596425230 479290444 /nfs/dbraw/zinc/29/04/44/479290444.db2.gz RDKCNBSZMGOWSC-UHFFFAOYSA-N 1 3 347.413 2.680 10 30 EFEEHO CN(C)CCC[N@@H+](C)CCNc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000596425230 479290447 /nfs/dbraw/zinc/29/04/47/479290447.db2.gz RDKCNBSZMGOWSC-UHFFFAOYSA-N 1 3 347.413 2.680 10 30 EFEEHO CC[C@@H](NCC#CC[NH2+][C@@H](CC)[C@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000653874442 481506567 /nfs/dbraw/zinc/50/65/67/481506567.db2.gz GXHGSWHEOATZOU-JVSBHGNQSA-N 1 3 336.520 2.864 10 30 EFEEHO CC[C@@H]([NH2+]CC#CCN[C@@H](CC)[C@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000653874442 481506573 /nfs/dbraw/zinc/50/65/73/481506573.db2.gz GXHGSWHEOATZOU-JVSBHGNQSA-N 1 3 336.520 2.864 10 30 EFEEHO C=CC[C@@]1(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)CCC[NH2+]1 ZINC000662662151 481921310 /nfs/dbraw/zinc/92/13/10/481921310.db2.gz AQJKQBWOKOFOEU-ICSRJNTNSA-N 1 3 329.488 2.666 10 30 EFEEHO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000651743568 481928970 /nfs/dbraw/zinc/92/89/70/481928970.db2.gz ZUGMGBPKQNRTIC-RLLQIKCJSA-N 1 3 343.515 2.610 10 30 EFEEHO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000651752486 481933357 /nfs/dbraw/zinc/93/33/57/481933357.db2.gz IHQLQNZWTQYJKS-APWZRJJASA-N 1 3 329.488 2.812 10 30 EFEEHO C=CC[C@@]1(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CCC[NH2+]1 ZINC000662700382 481940843 /nfs/dbraw/zinc/94/08/43/481940843.db2.gz IATMKJNFSWMUAZ-CTNGQTDRSA-N 1 3 341.499 2.946 10 30 EFEEHO C=CC[C@]1(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CCC[NH2+]1 ZINC000662746322 481958547 /nfs/dbraw/zinc/95/85/47/481958547.db2.gz SCDLVKFTELMHTI-HHXXYDBFSA-N 1 3 347.528 2.946 10 30 EFEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262531486 535548911 /nfs/dbraw/zinc/54/89/11/535548911.db2.gz NUTUNYUSVXMYMV-JMSVASOKSA-N 1 3 338.858 2.724 10 30 EFEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)sc1Cl ZINC000261983641 535549602 /nfs/dbraw/zinc/54/96/02/535549602.db2.gz JCJDDRHRJRZKGG-SNVBAGLBSA-N 1 3 335.304 2.944 10 30 EFEEHO CN(CCC#N)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247255442 536301943 /nfs/dbraw/zinc/30/19/43/536301943.db2.gz XJDNJSXKFBUICA-AZUAARDMSA-N 1 3 326.488 2.953 10 30 EFEEHO CN(CCC#N)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247255442 536301945 /nfs/dbraw/zinc/30/19/45/536301945.db2.gz XJDNJSXKFBUICA-AZUAARDMSA-N 1 3 326.488 2.953 10 30 EFEEHO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000247255442 536301948 /nfs/dbraw/zinc/30/19/48/536301948.db2.gz XJDNJSXKFBUICA-AZUAARDMSA-N 1 3 326.488 2.953 10 30 EFEEHO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000247255442 536301949 /nfs/dbraw/zinc/30/19/49/536301949.db2.gz XJDNJSXKFBUICA-AZUAARDMSA-N 1 3 326.488 2.953 10 30 EFEEHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691417030 1248757508 /nfs/dbraw/zinc/75/75/08/1248757508.db2.gz SRCKKBNJPUNNMO-RBUKOAKNSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001691417533 1248761152 /nfs/dbraw/zinc/76/11/52/1248761152.db2.gz ZWGLBFDIHZLMBX-LJQANCHMSA-N 1 3 329.488 2.861 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001691417533 1248761156 /nfs/dbraw/zinc/76/11/56/1248761156.db2.gz ZWGLBFDIHZLMBX-LJQANCHMSA-N 1 3 329.488 2.861 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)c1ccccc1 ZINC001691791895 1249682287 /nfs/dbraw/zinc/68/22/87/1249682287.db2.gz JKMFLAIQJJOPAR-RTBURBONSA-N 1 3 329.488 2.742 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC001691791895 1249682303 /nfs/dbraw/zinc/68/23/03/1249682303.db2.gz JKMFLAIQJJOPAR-RTBURBONSA-N 1 3 329.488 2.742 10 30 EFEEHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691057959 1248320155 /nfs/dbraw/zinc/32/01/55/1248320155.db2.gz FPPHMUZYIFGIMH-APWZRJJASA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001691057959 1248320165 /nfs/dbraw/zinc/32/01/65/1248320165.db2.gz FPPHMUZYIFGIMH-APWZRJJASA-N 1 3 339.499 2.698 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCC=C)[C@@H]2C)CC1 ZINC001691765433 1250458435 /nfs/dbraw/zinc/45/84/35/1250458435.db2.gz PUSKKEUCAINGNM-QUCCMNQESA-N 1 3 345.531 2.657 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCCC=C)[C@@H]2C)CC1 ZINC001691765433 1250458450 /nfs/dbraw/zinc/45/84/50/1250458450.db2.gz PUSKKEUCAINGNM-QUCCMNQESA-N 1 3 345.531 2.657 10 30 EFEEHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1nc[nH]c1C)C2 ZINC001484390370 1252498281 /nfs/dbraw/zinc/49/82/81/1252498281.db2.gz MRNPWGDLEIZWQF-BJWYYQGGSA-N 1 3 330.476 2.586 10 30 EFEEHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1nc[nH]c1C)C2 ZINC001484390370 1252498285 /nfs/dbraw/zinc/49/82/85/1252498285.db2.gz MRNPWGDLEIZWQF-BJWYYQGGSA-N 1 3 330.476 2.586 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC/C=C\CC)CC2)CC1 ZINC001484727854 1252818985 /nfs/dbraw/zinc/81/89/85/1252818985.db2.gz HDFJXSGNGDZRBV-PRPIBZDOSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC/C=C\CC)CC2)CC1 ZINC001484727854 1252818996 /nfs/dbraw/zinc/81/89/96/1252818996.db2.gz HDFJXSGNGDZRBV-PRPIBZDOSA-N 1 3 345.531 2.659 10 30 EFEEHO C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001273027304 1266188331 /nfs/dbraw/zinc/18/83/31/1266188331.db2.gz RWKOYQXXWOQUPO-JQHSSLGASA-N 1 3 349.906 2.569 10 30 EFEEHO C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001273027304 1266188338 /nfs/dbraw/zinc/18/83/38/1266188338.db2.gz RWKOYQXXWOQUPO-JQHSSLGASA-N 1 3 349.906 2.569 10 30 EFEEHO C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C1CCC1 ZINC001670933243 1258754077 /nfs/dbraw/zinc/75/40/77/1258754077.db2.gz RELXMGVTKCTUFX-JLYLLQBASA-N 1 3 333.520 2.939 10 30 EFEEHO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001485921973 1262501711 /nfs/dbraw/zinc/50/17/11/1262501711.db2.gz FYKWQYMMKPCKKG-CRAIPNDOSA-N 1 3 327.488 2.602 10 30 EFEEHO C#CCCN(C)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001486373151 1262972794 /nfs/dbraw/zinc/97/27/94/1262972794.db2.gz PWAAPZISODZNDP-UHFFFAOYSA-N 1 3 335.536 2.691 10 30 EFEEHO C=CCCC[NH2+]C1CC(N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001486476604 1263203417 /nfs/dbraw/zinc/20/34/17/1263203417.db2.gz GJQFWGKPZHEGHP-RJYAGPCLSA-N 1 3 339.499 2.744 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]CCC2=CCCCC2)CC1 ZINC001273205390 1263220055 /nfs/dbraw/zinc/22/00/55/1263220055.db2.gz ZVAXCNNDXLFOPQ-GOSISDBHSA-N 1 3 345.531 2.707 10 30 EFEEHO Cc1cc(C#N)cc(C)c1CNCc1ccnc(OCC[NH+](C)C)c1 ZINC000921941029 1263622650 /nfs/dbraw/zinc/62/26/50/1263622650.db2.gz BWOFMLAQPRDVHZ-UHFFFAOYSA-N 1 3 338.455 2.800 10 30 EFEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000876885737 1291057904 /nfs/dbraw/zinc/05/79/04/1291057904.db2.gz ZJIODPRUSKGSRU-NVXWUHKLSA-N 1 3 335.879 2.579 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000876941329 1291080384 /nfs/dbraw/zinc/08/03/84/1291080384.db2.gz KHAWZURYLJXUSG-RDJZCZTQSA-N 1 3 341.927 2.959 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000876941329 1291080387 /nfs/dbraw/zinc/08/03/87/1291080387.db2.gz KHAWZURYLJXUSG-RDJZCZTQSA-N 1 3 341.927 2.959 10 30 EFEEHO C=C(C)C[NH2+]C1(C)CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001274398458 1296078224 /nfs/dbraw/zinc/07/82/24/1296078224.db2.gz OXHYUMAFEOFSKO-UHFFFAOYSA-N 1 3 329.488 2.909 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001274841307 1296188252 /nfs/dbraw/zinc/18/82/52/1296188252.db2.gz SJVLUUUHIFSPAV-KRWDZBQOSA-N 1 3 335.536 2.642 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001490602074 1299031975 /nfs/dbraw/zinc/03/19/75/1299031975.db2.gz UGBAWTHKSZMKRD-QGZVFWFLSA-N 1 3 333.520 2.798 10 30 EFEEHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001490793940 1299264862 /nfs/dbraw/zinc/26/48/62/1299264862.db2.gz RLQRTCSLBRUQEC-GBESFXJTSA-N 1 3 345.531 2.892 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](CCCCCC)CC2(C)C)CC1 ZINC001276622685 1314109534 /nfs/dbraw/zinc/10/95/34/1314109534.db2.gz AXTIRHLKNGRIFO-IBGZPJMESA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](CCCCCC)CC2(C)C)CC1 ZINC001276622685 1314109536 /nfs/dbraw/zinc/10/95/36/1314109536.db2.gz AXTIRHLKNGRIFO-IBGZPJMESA-N 1 3 347.547 2.739 10 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1311185021 /nfs/dbraw/zinc/18/50/21/1311185021.db2.gz FHQROGDVKCBMPI-ZCNNSNEGSA-N 1 3 347.547 2.739 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)CCC ZINC001263957298 1316575375 /nfs/dbraw/zinc/57/53/75/1316575375.db2.gz BRRWUWRXKSTPHB-GOEBONIOSA-N 1 3 329.916 2.688 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)CCC ZINC001263957297 1316575393 /nfs/dbraw/zinc/57/53/93/1316575393.db2.gz BRRWUWRXKSTPHB-GDBMZVCRSA-N 1 3 329.916 2.688 10 30 EFEEHO C#CCN1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CC=C(C)C)CC1 ZINC001264187570 1316598613 /nfs/dbraw/zinc/59/86/13/1316598613.db2.gz ZSJHMEFZXMUMAE-FQEVSTJZSA-N 1 3 345.531 2.611 10 30 EFEEHO C#CCN1CCC(C(=O)N2CCCC[C@H]2C[N@@H+](C)CC=C(C)C)CC1 ZINC001264187570 1316598614 /nfs/dbraw/zinc/59/86/14/1316598614.db2.gz ZSJHMEFZXMUMAE-FQEVSTJZSA-N 1 3 345.531 2.611 10 30 EFEEHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001265407165 1316800830 /nfs/dbraw/zinc/80/08/30/1316800830.db2.gz SBJWGQXFAQHJSZ-QXCZDIPSSA-N 1 3 333.520 2.747 10 30 EFEEHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001265407165 1316800833 /nfs/dbraw/zinc/80/08/33/1316800833.db2.gz SBJWGQXFAQHJSZ-QXCZDIPSSA-N 1 3 333.520 2.747 10 30 EFEEHO CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265705930 1316863320 /nfs/dbraw/zinc/86/33/20/1316863320.db2.gz ORMGBMPSEDMJPR-RTBURBONSA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCC[NH+]1CCC(C2(NC(=O)CN3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC001279368576 1317247499 /nfs/dbraw/zinc/24/74/99/1317247499.db2.gz XJXFPAKPFXRVCZ-IAGOWNOFSA-N 1 3 333.520 2.796 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001318854590 1328723169 /nfs/dbraw/zinc/72/31/69/1328723169.db2.gz KFCQFTBQKGODKQ-QGZVFWFLSA-N 1 3 341.927 2.833 10 30 EFEEHO C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001280889106 1317880923 /nfs/dbraw/zinc/88/09/23/1317880923.db2.gz JVWJASNBTZRLBS-RBUKOAKNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001280889106 1317880930 /nfs/dbraw/zinc/88/09/30/1317880930.db2.gz JVWJASNBTZRLBS-RBUKOAKNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@H+]1Cc2ccc(CNC(=O)[C@@H](CC)N(C)C)cc2C1 ZINC001281293763 1318152696 /nfs/dbraw/zinc/15/26/96/1318152696.db2.gz VZRJBUPPVWZBCC-LJQANCHMSA-N 1 3 329.488 2.925 10 30 EFEEHO C=CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](CC)N(C)C)cc2C1 ZINC001281293763 1318152700 /nfs/dbraw/zinc/15/27/00/1318152700.db2.gz VZRJBUPPVWZBCC-LJQANCHMSA-N 1 3 329.488 2.925 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+][C@H](C)CCC=C)CC2)CC1 ZINC001318984309 1328756480 /nfs/dbraw/zinc/75/64/80/1328756480.db2.gz UHTUCTXQAVWOFQ-MISYRCLQSA-N 1 3 345.531 2.703 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+][C@@H](C)CCC=C)CC2)CC1 ZINC001318984308 1328756552 /nfs/dbraw/zinc/75/65/52/1328756552.db2.gz UHTUCTXQAVWOFQ-IHPCNDPISA-N 1 3 345.531 2.703 10 30 EFEEHO C#CCC[NH2+]C1CCC(N(C)C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001282275054 1318821673 /nfs/dbraw/zinc/82/16/73/1318821673.db2.gz RLTNWLVDFIWEKN-UHFFFAOYSA-N 1 3 341.499 2.744 10 30 EFEEHO C=CCCC[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001282833498 1319151480 /nfs/dbraw/zinc/15/14/80/1319151480.db2.gz LCWIBAVXLIDAOT-ROUUACIJSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCCC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001282833498 1319151485 /nfs/dbraw/zinc/15/14/85/1319151485.db2.gz LCWIBAVXLIDAOT-ROUUACIJSA-N 1 3 335.536 2.900 10 30 EFEEHO C=C(C)C[NH2+]C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001284633757 1320449965 /nfs/dbraw/zinc/44/99/65/1320449965.db2.gz ZTNFKLVLCPNGRL-KXBFYZLASA-N 1 3 341.515 2.896 10 30 EFEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CCCCC1 ZINC001319651767 1328939006 /nfs/dbraw/zinc/93/90/06/1328939006.db2.gz QRGYGMOOAOUMRR-MOPGFXCFSA-N 1 3 333.520 2.537 10 30 EFEEHO C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001322243882 1329440590 /nfs/dbraw/zinc/44/05/90/1329440590.db2.gz JEHNOCPFRAPBHV-QAPCUYQASA-N 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ZINC001316792849 1325142041 /nfs/dbraw/zinc/14/20/41/1325142041.db2.gz NNLZLOCEJLRQCL-JTDSTZFVSA-N 1 3 339.499 2.744 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001316792849 1325142047 /nfs/dbraw/zinc/14/20/47/1325142047.db2.gz NNLZLOCEJLRQCL-JTDSTZFVSA-N 1 3 339.499 2.744 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC/C=C/CCC)C2)CC1 ZINC001316950489 1325408217 /nfs/dbraw/zinc/40/82/17/1325408217.db2.gz BNMNAEAYNZGQTK-YJJPMGAVSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC/C=C/CCC)C2)CC1 ZINC001316950489 1325408221 /nfs/dbraw/zinc/40/82/21/1325408221.db2.gz BNMNAEAYNZGQTK-YJJPMGAVSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC/C=C\CCC)C2)CC1 ZINC001316950487 1325408695 /nfs/dbraw/zinc/40/86/95/1325408695.db2.gz BNMNAEAYNZGQTK-PXDRNWIDSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC/C=C\CCC)C2)CC1 ZINC001316950487 1325408700 /nfs/dbraw/zinc/40/87/00/1325408700.db2.gz BNMNAEAYNZGQTK-PXDRNWIDSA-N 1 3 345.531 2.659 10 30 EFEEHO C=CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001317369521 1327911028 /nfs/dbraw/zinc/91/10/28/1327911028.db2.gz YTCNFEAOFFCXRY-FQEVSTJZSA-N 1 3 343.515 2.884 10 30 EFEEHO C#CCC[NH2+][C@H](CNC(=O)c1cccc(CN(C)C)c1)c1ccccc1 ZINC001317729539 1328340209 /nfs/dbraw/zinc/34/02/09/1328340209.db2.gz VJDWYCRMFADRNW-OAQYLSRUSA-N 1 3 349.478 2.832 10 30 EFEEHO C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)CCCCCC ZINC001323670018 1329560072 /nfs/dbraw/zinc/56/00/72/1329560072.db2.gz NKAFVJWRFGRJBQ-YQQQUEKLSA-N 1 3 333.520 2.633 10 30 EFEEHO CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001325665172 1329705019 /nfs/dbraw/zinc/70/50/19/1329705019.db2.gz IVAPCXPROAEQRS-VAMGGRTRSA-N 1 3 347.547 2.786 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001325679026 1329705845 /nfs/dbraw/zinc/70/58/45/1329705845.db2.gz GTLQFXKOWXXEOC-VJANTYMQSA-N 1 3 335.536 2.948 10 30 EFEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001325701681 1329707548 /nfs/dbraw/zinc/70/75/48/1329707548.db2.gz OKSYNFFYDISUPF-IBGZPJMESA-N 1 3 341.499 2.503 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001325920808 1329725157 /nfs/dbraw/zinc/72/51/57/1329725157.db2.gz MYPYPBAUODQNDI-HZPDHXFCSA-N 1 3 330.476 2.719 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001325920808 1329725158 /nfs/dbraw/zinc/72/51/58/1329725158.db2.gz MYPYPBAUODQNDI-HZPDHXFCSA-N 1 3 330.476 2.719 10 30 EFEEHO C=CCCC[N@@H+](CC)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001328577421 1330604492 /nfs/dbraw/zinc/60/44/92/1330604492.db2.gz GAKLQMGPESDOBH-UHFFFAOYSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@H+](CC)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001328577421 1330604493 /nfs/dbraw/zinc/60/44/93/1330604493.db2.gz GAKLQMGPESDOBH-UHFFFAOYSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001328695155 1330617278 /nfs/dbraw/zinc/61/72/78/1330617278.db2.gz ZOAJMYYLMVRJIS-UYAOXDASSA-N 1 3 329.488 2.666 10 30 EFEEHO CC#CCN1CC[C@@]2(NC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001332101297 1330920326 /nfs/dbraw/zinc/92/03/26/1330920326.db2.gz SXPJDTUNRWGNOK-CTNGQTDRSA-N 1 3 345.531 2.778 10 30 EFEEHO CC#CCN1CC[C@@]2(NC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001332101297 1330920327 /nfs/dbraw/zinc/92/03/27/1330920327.db2.gz SXPJDTUNRWGNOK-CTNGQTDRSA-N 1 3 345.531 2.778 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001333456365 1331148066 /nfs/dbraw/zinc/14/80/66/1331148066.db2.gz CCRPEJMXIWWXOV-IEBWSBKVSA-N 1 3 333.520 2.964 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001333456365 1331148068 /nfs/dbraw/zinc/14/80/68/1331148068.db2.gz CCRPEJMXIWWXOV-IEBWSBKVSA-N 1 3 333.520 2.964 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001333456363 1331148107 /nfs/dbraw/zinc/14/81/07/1331148107.db2.gz CCRPEJMXIWWXOV-HKUYNNGSSA-N 1 3 333.520 2.964 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001333456363 1331148110 /nfs/dbraw/zinc/14/81/10/1331148110.db2.gz CCRPEJMXIWWXOV-HKUYNNGSSA-N 1 3 333.520 2.964 10 30 EFEEHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCCN2C(C)C)c(F)c1 ZINC001333479699 1331152745 /nfs/dbraw/zinc/15/27/45/1331152745.db2.gz NDWAUILQAINXLM-IBGZPJMESA-N 1 3 347.478 2.980 10 30 EFEEHO C=C(Cl)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001390148929 1353862859 /nfs/dbraw/zinc/86/28/59/1353862859.db2.gz GUKMWMBRQKVFHK-IRXDYDNUSA-N 1 3 341.927 2.973 10 30 EFEEHO C=C(Cl)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001390148929 1353862862 /nfs/dbraw/zinc/86/28/62/1353862862.db2.gz GUKMWMBRQKVFHK-IRXDYDNUSA-N 1 3 341.927 2.973 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001400969513 1362308242 /nfs/dbraw/zinc/30/82/42/1362308242.db2.gz AWOBQNCOQJZOQA-JKSUJKDBSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001400969513 1362308248 /nfs/dbraw/zinc/30/82/48/1362308248.db2.gz AWOBQNCOQJZOQA-JKSUJKDBSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CN1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001402926505 1364141536 /nfs/dbraw/zinc/14/15/36/1364141536.db2.gz GEHBWISJWXHGPW-QGZVFWFLSA-N 1 3 341.927 2.641 10 30 EFEEHO C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001408105549 1369611596 /nfs/dbraw/zinc/61/15/96/1369611596.db2.gz GPYDNMXUUOFCRQ-HNNXBMFYSA-N 1 3 327.900 2.584 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001422119518 1379639495 /nfs/dbraw/zinc/63/94/95/1379639495.db2.gz KRIMAXREWFJDAB-JKSUJKDBSA-N 1 3 329.916 2.591 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001422119518 1379639497 /nfs/dbraw/zinc/63/94/97/1379639497.db2.gz KRIMAXREWFJDAB-JKSUJKDBSA-N 1 3 329.916 2.591 10 30 EFEEHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001424877799 1383454982 /nfs/dbraw/zinc/45/49/82/1383454982.db2.gz NMUNWAMPWSRBKL-OAHLLOKOSA-N 1 3 329.916 2.688 10 30 EFEEHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001424877799 1383454987 /nfs/dbraw/zinc/45/49/87/1383454987.db2.gz NMUNWAMPWSRBKL-OAHLLOKOSA-N 1 3 329.916 2.688 10 30 EFEEHO C=C(Cl)CNC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001426134135 1384016955 /nfs/dbraw/zinc/01/69/55/1384016955.db2.gz INWQFNNJSMQURB-JKSUJKDBSA-N 1 3 343.943 2.980 10 30 EFEEHO C=C(Cl)CNC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001426134135 1384016962 /nfs/dbraw/zinc/01/69/62/1384016962.db2.gz INWQFNNJSMQURB-JKSUJKDBSA-N 1 3 343.943 2.980 10 30 EFEEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC001426160899 1384036520 /nfs/dbraw/zinc/03/65/20/1384036520.db2.gz DRVMKRJDLXXFPN-SFHVURJKSA-N 1 3 344.503 2.519 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001441109571 1391102960 /nfs/dbraw/zinc/10/29/60/1391102960.db2.gz RAMCNGHPFWUISN-UHFFFAOYSA-N 1 3 341.927 2.880 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001441203166 1391179160 /nfs/dbraw/zinc/17/91/60/1391179160.db2.gz KVEPFWRLCXFJAA-MRXNPFEDSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CC1 ZINC001441203166 1391179163 /nfs/dbraw/zinc/17/91/63/1391179163.db2.gz KVEPFWRLCXFJAA-MRXNPFEDSA-N 1 3 341.927 2.876 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001479501656 1397739143 /nfs/dbraw/zinc/73/91/43/1397739143.db2.gz LWYYZHCEWHUMMU-RBUKOAKNSA-N 1 3 347.547 2.997 10 30 EFEEHO C#CCN1CCC2(C[C@H](C)N(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001479504708 1397739590 /nfs/dbraw/zinc/73/95/90/1397739590.db2.gz UGMCEBMLKSEJLT-IBGZPJMESA-N 1 3 345.531 2.589 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)CC2CCCCCC2)CC1 ZINC001479817111 1397912643 /nfs/dbraw/zinc/91/26/43/1397912643.db2.gz ZSPREBSUUJLNFG-UHFFFAOYSA-N 1 3 347.547 2.740 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@H+](C)CC2CCCCCC2)CC1 ZINC001479817111 1397912646 /nfs/dbraw/zinc/91/26/46/1397912646.db2.gz ZSPREBSUUJLNFG-UHFFFAOYSA-N 1 3 347.547 2.740 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC001479893050 1398006056 /nfs/dbraw/zinc/00/60/56/1398006056.db2.gz HAMBNBWARQSONK-SFHVURJKSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001479993714 1398078977 /nfs/dbraw/zinc/07/89/77/1398078977.db2.gz RHOASFPJMWAREU-RBUKOAKNSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CN1CCC(N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001479993714 1398078978 /nfs/dbraw/zinc/07/89/78/1398078978.db2.gz RHOASFPJMWAREU-RBUKOAKNSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001480086414 1398123099 /nfs/dbraw/zinc/12/30/99/1398123099.db2.gz XVRIGEYVBDAJNI-QFBILLFUSA-N 1 3 339.499 2.555 10 30 EFEEHO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001480086414 1398123105 /nfs/dbraw/zinc/12/31/05/1398123105.db2.gz XVRIGEYVBDAJNI-QFBILLFUSA-N 1 3 339.499 2.555 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCCCC)[C@H]2C)CC1 ZINC001507388831 1407001019 /nfs/dbraw/zinc/00/10/19/1407001019.db2.gz VDGHMCVPSXRXPD-ICSRJNTNSA-N 1 3 347.547 2.881 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCCCC)[C@H]2C)CC1 ZINC001507388831 1407001021 /nfs/dbraw/zinc/00/10/21/1407001021.db2.gz VDGHMCVPSXRXPD-ICSRJNTNSA-N 1 3 347.547 2.881 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001507426792 1407041227 /nfs/dbraw/zinc/04/12/27/1407041227.db2.gz HDXXVQUGIVXGCN-QFBILLFUSA-N 1 3 329.488 2.812 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001495540443 1400070700 /nfs/dbraw/zinc/07/07/00/1400070700.db2.gz KXPITHKVIBLQGX-UHFFFAOYSA-N 1 3 347.547 2.596 10 30 EFEEHO C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001496288557 1400603687 /nfs/dbraw/zinc/60/36/87/1400603687.db2.gz ODMCIIPABMWPNH-QAPCUYQASA-N 1 3 327.488 2.505 10 30 EFEEHO C#CCC[N@@H+](C)CCC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001496508165 1400783680 /nfs/dbraw/zinc/78/36/80/1400783680.db2.gz HGZHXYKTNPSSDP-UHFFFAOYSA-N 1 3 335.536 2.548 10 30 EFEEHO C#CCC[N@H+](C)CCC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001496508165 1400783683 /nfs/dbraw/zinc/78/36/83/1400783683.db2.gz HGZHXYKTNPSSDP-UHFFFAOYSA-N 1 3 335.536 2.548 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCCCC)CC1 ZINC001498506573 1402151972 /nfs/dbraw/zinc/15/19/72/1402151972.db2.gz ZFWGMEFWPBQSKC-WOJBJXKFSA-N 1 3 347.547 2.786 10 30 EFEEHO C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCCC1 ZINC001499496124 1402642897 /nfs/dbraw/zinc/64/28/97/1402642897.db2.gz QKKKDPVGHDMWDU-QBUWPKIASA-N 1 3 333.520 2.939 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001499573185 1402692542 /nfs/dbraw/zinc/69/25/42/1402692542.db2.gz BADTXINQBSPDPR-FQEVSTJZSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001499573185 1402692544 /nfs/dbraw/zinc/69/25/44/1402692544.db2.gz BADTXINQBSPDPR-FQEVSTJZSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001499610640 1402715961 /nfs/dbraw/zinc/71/59/61/1402715961.db2.gz QZFHHVSJWASFLR-AZUAARDMSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)N(C)C)C2)C1 ZINC001499610640 1402715964 /nfs/dbraw/zinc/71/59/64/1402715964.db2.gz QZFHHVSJWASFLR-AZUAARDMSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCCC)CC1 ZINC001500057541 1402916599 /nfs/dbraw/zinc/91/65/99/1402916599.db2.gz IWSRDARPQMHADA-HDICACEKSA-N 1 3 333.520 2.586 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](CCCCC)C2)CC1 ZINC001500552788 1403217412 /nfs/dbraw/zinc/21/74/12/1403217412.db2.gz LTRIZXNKHGZOLP-OAQYLSRUSA-N 1 3 347.547 2.740 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](CCCCC)C2)CC1 ZINC001500552788 1403217416 /nfs/dbraw/zinc/21/74/16/1403217416.db2.gz LTRIZXNKHGZOLP-OAQYLSRUSA-N 1 3 347.547 2.740 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)Cc3nc[nH]c3C)CC2)CC1 ZINC001508161745 1407322968 /nfs/dbraw/zinc/32/29/68/1407322968.db2.gz HBWUXPYNGNZIQB-HNNXBMFYSA-N 1 3 344.503 2.976 10 30 EFEEHO C=CCCC[NH+]1CCC2(CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001503764985 1404508323 /nfs/dbraw/zinc/50/83/23/1404508323.db2.gz ZFFHCDBUIRDTAZ-UHFFFAOYSA-N 1 3 333.520 2.753 10 30 EFEEHO C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001505446987 1404642421 /nfs/dbraw/zinc/64/24/21/1404642421.db2.gz WUWZMCIFXQSBNY-VQIMIIECSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001505446987 1404642427 /nfs/dbraw/zinc/64/24/27/1404642427.db2.gz WUWZMCIFXQSBNY-VQIMIIECSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001505465855 1404692745 /nfs/dbraw/zinc/69/27/45/1404692745.db2.gz NLBFZZASIFKTOE-LJQANCHMSA-N 1 3 329.488 2.861 10 30 EFEEHO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001505465855 1404692761 /nfs/dbraw/zinc/69/27/61/1404692761.db2.gz NLBFZZASIFKTOE-LJQANCHMSA-N 1 3 329.488 2.861 10 30 EFEEHO C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001505833549 1405123389 /nfs/dbraw/zinc/12/33/89/1405123389.db2.gz KXVKGMYGJHXDRD-IBGZPJMESA-N 1 3 341.515 2.849 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001565943310 1415461453 /nfs/dbraw/zinc/46/14/53/1415461453.db2.gz OZYNLWXPNAQQDR-GOEBONIOSA-N 1 3 329.916 2.686 10 30 EFEEHO C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566535642 1415623270 /nfs/dbraw/zinc/62/32/70/1415623270.db2.gz SSIZUDUGZXAMBG-CVEARBPZSA-N 1 3 329.916 2.830 10 30 EFEEHO CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001567263708 1416041057 /nfs/dbraw/zinc/04/10/57/1416041057.db2.gz ZUNIKYWQEYAWKN-RTBURBONSA-N 1 3 333.520 2.633 10 30 EFEEHO CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001567263708 1416041063 /nfs/dbraw/zinc/04/10/63/1416041063.db2.gz ZUNIKYWQEYAWKN-RTBURBONSA-N 1 3 333.520 2.633 10 30 EFEEHO C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001567267394 1416046354 /nfs/dbraw/zinc/04/63/54/1416046354.db2.gz XBLHZJIPKOKNFE-HXUWFJFHSA-N 1 3 341.499 2.746 10 30 EFEEHO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001567267394 1416046359 /nfs/dbraw/zinc/04/63/59/1416046359.db2.gz XBLHZJIPKOKNFE-HXUWFJFHSA-N 1 3 341.499 2.746 10 30 EFEEHO C#CCC[NH2+][C@@H](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001567634283 1416219211 /nfs/dbraw/zinc/21/92/11/1416219211.db2.gz LXZOXGMBSPMPOA-KRWDZBQOSA-N 1 3 341.499 2.602 10 30 EFEEHO C=CCN[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC001567663374 1416236580 /nfs/dbraw/zinc/23/65/80/1416236580.db2.gz HZSDKLRETFDNRX-FQEVSTJZSA-N 1 3 337.467 2.995 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001567665776 1416237530 /nfs/dbraw/zinc/23/75/30/1416237530.db2.gz LNKWCVCBSLYMAV-IBGZPJMESA-N 1 3 329.488 2.886 10 30 EFEEHO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001690356618 1417195504 /nfs/dbraw/zinc/19/55/04/1417195504.db2.gz PHMSNZSCMDOPKL-GGXPGOJBSA-N 1 3 339.499 2.790 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001699672992 1417446410 /nfs/dbraw/zinc/44/64/10/1417446410.db2.gz IETCJOMIFDXTGQ-MOPGFXCFSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001699672992 1417446411 /nfs/dbraw/zinc/44/64/11/1417446411.db2.gz IETCJOMIFDXTGQ-MOPGFXCFSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCN(C(=O)CN(C)C1CCC1)C1CC[NH+](CCCC(C)C)CC1 ZINC001699781498 1417467947 /nfs/dbraw/zinc/46/79/47/1417467947.db2.gz JCGZTSOETHSGNW-UHFFFAOYSA-N 1 3 347.547 2.833 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001699864561 1417483913 /nfs/dbraw/zinc/48/39/13/1417483913.db2.gz ZDMDOUDKBQVFGL-OAHLLOKOSA-N 1 3 332.492 2.834 10 30 EFEEHO C#CCC[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)c1ccccc1CC ZINC001699931707 1417511599 /nfs/dbraw/zinc/51/15/99/1417511599.db2.gz FEVRVDUAPFCNHP-LJQANCHMSA-N 1 3 341.499 2.504 10 30 EFEEHO C=C(Cl)CNCCC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001700709780 1417625568 /nfs/dbraw/zinc/62/55/68/1417625568.db2.gz VTMKNFCVWODEPW-ZWKOTPCHSA-N 1 3 349.906 2.918 10 30 EFEEHO C=C(Cl)CNCCC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001700709780 1417625569 /nfs/dbraw/zinc/62/55/69/1417625569.db2.gz VTMKNFCVWODEPW-ZWKOTPCHSA-N 1 3 349.906 2.918 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC)CCCC(C)(C)C)CC1 ZINC001713497428 1418552055 /nfs/dbraw/zinc/55/20/55/1418552055.db2.gz MONNZEMZQSEZRF-UHFFFAOYSA-N 1 3 335.536 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)CCCC(C)(C)C)CC1 ZINC001713497428 1418552058 /nfs/dbraw/zinc/55/20/58/1418552058.db2.gz MONNZEMZQSEZRF-UHFFFAOYSA-N 1 3 335.536 2.596 10 30 EFEEHO C#CCN(C(=O)CN(C)C1CCC1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001716806789 1419021193 /nfs/dbraw/zinc/02/11/93/1419021193.db2.gz JLUFMDUPQFUCHM-UHFFFAOYSA-N 1 3 347.547 2.833 10 30 EFEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001716811699 1419024615 /nfs/dbraw/zinc/02/46/15/1419024615.db2.gz JHDOWIDIHRIACF-UHFFFAOYSA-N 1 3 347.547 2.833 10 30 EFEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCC1 ZINC001716822371 1419031969 /nfs/dbraw/zinc/03/19/69/1419031969.db2.gz KTNJUAHXDPIOSP-OALUTQOASA-N 1 3 333.520 2.537 10 30 EFEEHO CC#CCN1CCC[C@@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001716900707 1419086734 /nfs/dbraw/zinc/08/67/34/1419086734.db2.gz SHWMGBDFMVAEJU-NRFANRHFSA-N 1 3 341.499 2.603 10 30 EFEEHO C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001717003338 1419138949 /nfs/dbraw/zinc/13/89/49/1419138949.db2.gz VWVJBHLSPWWRKE-GUDVDZBRSA-N 1 3 335.536 2.948 10 30 EFEEHO C=CC[NH2+]CCN(Cc1ccccc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001717006339 1419142155 /nfs/dbraw/zinc/14/21/55/1419142155.db2.gz LBZGSKXLZQFFKQ-HDICACEKSA-N 1 3 329.488 2.664 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN1CC[C@@H](C)C1 ZINC001717361190 1419354453 /nfs/dbraw/zinc/35/44/53/1419354453.db2.gz HQWOKLNFTPQIFX-OZOXKJRCSA-N 1 3 341.499 2.666 10 30 EFEEHO C=CCCCCC[N@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001717630530 1419478523 /nfs/dbraw/zinc/47/85/23/1419478523.db2.gz UNJQCEGTXBUQJG-UHFFFAOYSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001717630530 1419478526 /nfs/dbraw/zinc/47/85/26/1419478526.db2.gz UNJQCEGTXBUQJG-UHFFFAOYSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001717684400 1419504724 /nfs/dbraw/zinc/50/47/24/1419504724.db2.gz LXEBHTALTFUELA-YJBOKZPZSA-N 1 3 327.488 2.650 10 30 EFEEHO CC[C@H](C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1)[NH+](CC)CC ZINC001717740979 1419532040 /nfs/dbraw/zinc/53/20/40/1419532040.db2.gz JQNNSWJYLDFWQA-AZUAARDMSA-N 1 3 343.515 2.595 10 30 EFEEHO C=C(Cl)CNCCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001723204045 1424451515 /nfs/dbraw/zinc/45/15/15/1424451515.db2.gz NQRRKQCAXYXZJK-INIZCTEOSA-N 1 3 329.916 2.688 10 30 EFEEHO C#CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001723608894 1424533670 /nfs/dbraw/zinc/53/36/70/1424533670.db2.gz SQRRVWUMZXSBRD-OALUTQOASA-N 1 3 347.547 2.691 10 30 EFEEHO C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001723608894 1424533673 /nfs/dbraw/zinc/53/36/73/1424533673.db2.gz SQRRVWUMZXSBRD-OALUTQOASA-N 1 3 347.547 2.691 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001723610584 1424536893 /nfs/dbraw/zinc/53/68/93/1424536893.db2.gz ZWWIRBYPYPBTRE-RTBURBONSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001723610584 1424536898 /nfs/dbraw/zinc/53/68/98/1424536898.db2.gz ZWWIRBYPYPBTRE-RTBURBONSA-N 1 3 333.520 2.607 10 30 EFEEHO C#CCN(C(=O)[C@H]1CCCN1C(C)C)C1CC[NH+](CCC(=C)C)CC1 ZINC001724046177 1424633498 /nfs/dbraw/zinc/63/34/98/1424633498.db2.gz CKKSPVZQTPHGEM-HXUWFJFHSA-N 1 3 345.531 2.752 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001724654808 1424887978 /nfs/dbraw/zinc/88/79/78/1424887978.db2.gz JVJTUWJLVHVEAU-QZTJIDSGSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001724654808 1424887987 /nfs/dbraw/zinc/88/79/87/1424887987.db2.gz JVJTUWJLVHVEAU-QZTJIDSGSA-N 1 3 333.520 2.892 10 30 EFEEHO C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001724738552 1424964517 /nfs/dbraw/zinc/96/45/17/1424964517.db2.gz NDPKLGWYHVNTMN-LJQANCHMSA-N 1 3 331.504 2.897 10 30 EFEEHO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001724738552 1424964522 /nfs/dbraw/zinc/96/45/22/1424964522.db2.gz NDPKLGWYHVNTMN-LJQANCHMSA-N 1 3 331.504 2.897 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001724948993 1425157184 /nfs/dbraw/zinc/15/71/84/1425157184.db2.gz QUWPBEAONLCTSJ-QFBILLFUSA-N 1 3 329.488 2.765 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC001724997965 1425208356 /nfs/dbraw/zinc/20/83/56/1425208356.db2.gz BLDACGAKVDQZBL-DOTOQJQBSA-N 1 3 332.492 2.976 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC001724997965 1425208359 /nfs/dbraw/zinc/20/83/59/1425208359.db2.gz BLDACGAKVDQZBL-DOTOQJQBSA-N 1 3 332.492 2.976 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC(C)C)[C@H](C)C2)CC1 ZINC001725000084 1425212799 /nfs/dbraw/zinc/21/27/99/1425212799.db2.gz FZNAXQLTPMOBNX-QUCCMNQESA-N 1 3 347.547 2.737 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCC(C)C)[C@H](C)C2)CC1 ZINC001725000084 1425212807 /nfs/dbraw/zinc/21/28/07/1425212807.db2.gz FZNAXQLTPMOBNX-QUCCMNQESA-N 1 3 347.547 2.737 10 30 EFEEHO C=CC[NH2+][C@@H](CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001725213033 1425382173 /nfs/dbraw/zinc/38/21/73/1425382173.db2.gz IHMBCNVHUQOWKF-QFBILLFUSA-N 1 3 341.515 2.848 10 30 EFEEHO C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001725417461 1425561370 /nfs/dbraw/zinc/56/13/70/1425561370.db2.gz PELMCXUSLOZVNW-YOEHRIQHSA-N 1 3 347.906 2.826 10 30 EFEEHO C=CCCC[NH2+][C@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C(F)(F)F ZINC001725784190 1425849756 /nfs/dbraw/zinc/84/97/56/1425849756.db2.gz XHDIVCBOOIPBBB-GJZGRUSLSA-N 1 3 349.441 2.663 10 30 EFEEHO CC[NH+]=C(NCc1ccc2c(c1)COC2)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262010604 722711137 /nfs/dbraw/zinc/71/11/37/722711137.db2.gz WMMFUPDNQXWVEY-DNVCBOLYSA-N 1 3 344.503 2.501 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000908457366 727194032 /nfs/dbraw/zinc/19/40/32/727194032.db2.gz MVIOQGJPNKZKMY-QGZVFWFLSA-N 1 3 335.517 2.635 10 30 EFEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CCCC3CCCC3)CC2)CC1 ZINC001569431735 1085200384 /nfs/dbraw/zinc/20/03/84/1085200384.db2.gz BLBKOOFKWHENFE-UHFFFAOYSA-N 1 3 345.531 2.540 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001569470808 1085268798 /nfs/dbraw/zinc/26/87/98/1085268798.db2.gz JEIHREPRDGBUEX-MRXNPFEDSA-N 1 3 330.476 2.621 10 30 EFEEHO C#CCN(C(=O)CN(C)CCC)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001569595082 1085418578 /nfs/dbraw/zinc/41/85/78/1085418578.db2.gz CKHHIAXMDMQZPZ-UHFFFAOYSA-N 1 3 335.536 2.691 10 30 EFEEHO C=C(C)C[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1CC ZINC001569802441 1085618801 /nfs/dbraw/zinc/61/88/01/1085618801.db2.gz VHFLTHFDHZMMIW-XLIONFOSSA-N 1 3 343.515 2.914 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001569989112 1085824683 /nfs/dbraw/zinc/82/46/83/1085824683.db2.gz YPZWJZKYGKRYJZ-DLBZAZTESA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001569989112 1085824687 /nfs/dbraw/zinc/82/46/87/1085824687.db2.gz YPZWJZKYGKRYJZ-DLBZAZTESA-N 1 3 341.927 2.688 10 30 EFEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001570031449 1085883172 /nfs/dbraw/zinc/88/31/72/1085883172.db2.gz PJEASIYADXZDLP-FXAWDEMLSA-N 1 3 341.499 2.850 10 30 EFEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001570031449 1085883185 /nfs/dbraw/zinc/88/31/85/1085883185.db2.gz PJEASIYADXZDLP-FXAWDEMLSA-N 1 3 341.499 2.850 10 30 EFEEHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001570039601 1085895035 /nfs/dbraw/zinc/89/50/35/1085895035.db2.gz SMFVPCIHKQQFJQ-IYARVYRRSA-N 1 3 333.520 2.539 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001570219634 1086060133 /nfs/dbraw/zinc/06/01/33/1086060133.db2.gz FEMFAQJFQOCLBH-OALUTQOASA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001570219634 1086060144 /nfs/dbraw/zinc/06/01/44/1086060144.db2.gz FEMFAQJFQOCLBH-OALUTQOASA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001570269567 1086104504 /nfs/dbraw/zinc/10/45/04/1086104504.db2.gz XWJCIDWMZWYLFK-FQEVSTJZSA-N 1 3 343.515 2.838 10 30 EFEEHO C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001570269567 1086104509 /nfs/dbraw/zinc/10/45/09/1086104509.db2.gz XWJCIDWMZWYLFK-FQEVSTJZSA-N 1 3 343.515 2.838 10 30 EFEEHO C=CCC[NH2+]C1(C)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001570380900 1086183575 /nfs/dbraw/zinc/18/35/75/1086183575.db2.gz OKEAYTQPRKMEPL-LJQANCHMSA-N 1 3 339.499 2.746 10 30 EFEEHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC001570641509 1086430118 /nfs/dbraw/zinc/43/01/18/1086430118.db2.gz MTNTWQKYPFJCHV-CVEARBPZSA-N 1 3 349.906 2.516 10 30 EFEEHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC001570641509 1086430122 /nfs/dbraw/zinc/43/01/22/1086430122.db2.gz MTNTWQKYPFJCHV-CVEARBPZSA-N 1 3 349.906 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001570653293 1086437398 /nfs/dbraw/zinc/43/73/98/1086437398.db2.gz PKACBCCWOQPPPO-ROUUACIJSA-N 1 3 347.547 2.785 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)N(C)C)C[C@@]2(C)C1 ZINC001571067997 1086658898 /nfs/dbraw/zinc/65/88/98/1086658898.db2.gz CMNJCXZQFFAYMV-BWPNAZKDSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)N(C)C)C[C@@]2(C)C1 ZINC001571067997 1086658901 /nfs/dbraw/zinc/65/89/01/1086658901.db2.gz CMNJCXZQFFAYMV-BWPNAZKDSA-N 1 3 335.536 2.852 10 30 EFEEHO CC#CC[NH2+]CCC[C@H](NC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001571347345 1086745387 /nfs/dbraw/zinc/74/53/87/1086745387.db2.gz RGVCZGXRECYWGG-ICSRJNTNSA-N 1 3 341.499 2.579 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC001571508768 1086914787 /nfs/dbraw/zinc/91/47/87/1086914787.db2.gz JMITZNMWZLEGKS-FGTMMUONSA-N 1 3 333.520 2.654 10 30 EFEEHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C(F)(F)F ZINC001571571818 1086971684 /nfs/dbraw/zinc/97/16/84/1086971684.db2.gz IAXNHVYCBDEPLK-CABCVRRESA-N 1 3 349.441 2.519 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)CCC[NH2+]CC2CC(C)(C)C2)CC1 ZINC001649470325 1092512033 /nfs/dbraw/zinc/51/20/33/1092512033.db2.gz ITXNCVDPMFUULG-KRWDZBQOSA-N 1 3 347.547 2.642 10 30 EFEEHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1)N(C)C ZINC001267151890 1092929977 /nfs/dbraw/zinc/92/99/77/1092929977.db2.gz FKTSFNLVJOWQCF-MAUKXSAKSA-N 1 3 349.906 2.516 10 30 EFEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001267163871 1093010628 /nfs/dbraw/zinc/01/06/28/1093010628.db2.gz BJJPNPYDQVQLJB-DLBZAZTESA-N 1 3 341.927 2.973 10 30 EFEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267163871 1093010633 /nfs/dbraw/zinc/01/06/33/1093010633.db2.gz BJJPNPYDQVQLJB-DLBZAZTESA-N 1 3 341.927 2.973 10 30 EFEEHO C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001267200342 1093173678 /nfs/dbraw/zinc/17/36/78/1093173678.db2.gz BTQHMVUXQQZIFN-DNVCBOLYSA-N 1 3 339.499 2.602 10 30 EFEEHO C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001267200341 1093174055 /nfs/dbraw/zinc/17/40/55/1093174055.db2.gz BTQHMVUXQQZIFN-BEFAXECRSA-N 1 3 339.499 2.602 10 30 EFEEHO C=CCC[C@H](C)[N@H+](CC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001267250160 1093366954 /nfs/dbraw/zinc/36/69/54/1093366954.db2.gz HKOYKOZWJMQWND-LPHOPBHVSA-N 1 3 341.515 2.992 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001267250160 1093366965 /nfs/dbraw/zinc/36/69/65/1093366965.db2.gz HKOYKOZWJMQWND-LPHOPBHVSA-N 1 3 341.515 2.992 10 30 EFEEHO C#CC[NH2+][C@@H](CNC(=O)c1sccc1CN(C)C)c1ccccc1 ZINC001267362096 1094313162 /nfs/dbraw/zinc/31/31/62/1094313162.db2.gz OALSTRXDGDNDOH-KRWDZBQOSA-N 1 3 341.480 2.504 10 30 EFEEHO C#CCCN[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)c1ccccc1 ZINC001267518884 1095199484 /nfs/dbraw/zinc/19/94/84/1095199484.db2.gz DWBFBWBCZZHRII-PMACEKPBSA-N 1 3 341.499 2.579 10 30 EFEEHO C#CCCN[C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC001267518884 1095199489 /nfs/dbraw/zinc/19/94/89/1095199489.db2.gz DWBFBWBCZZHRII-PMACEKPBSA-N 1 3 341.499 2.579 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+](CCCC=C)CC2)CC1 ZINC001279111898 1095364619 /nfs/dbraw/zinc/36/46/19/1095364619.db2.gz RPMVHEFSKWMRDX-GOSISDBHSA-N 1 3 345.531 2.515 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268161638 1095594382 /nfs/dbraw/zinc/59/43/82/1095594382.db2.gz FHPXMYWPJLNMHM-ULQDDVLXSA-N 1 3 341.927 2.830 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268161638 1095594390 /nfs/dbraw/zinc/59/43/90/1095594390.db2.gz FHPXMYWPJLNMHM-ULQDDVLXSA-N 1 3 341.927 2.830 10 30 EFEEHO C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001267715543 1095618300 /nfs/dbraw/zinc/61/83/00/1095618300.db2.gz AJXWSFVAUGRPRP-OALUTQOASA-N 1 3 333.520 2.894 10 30 EFEEHO C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267575147 1095790883 /nfs/dbraw/zinc/79/08/83/1095790883.db2.gz CWCJFXGMETZVIJ-APWZRJJASA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267575147 1095790897 /nfs/dbraw/zinc/79/08/97/1095790897.db2.gz CWCJFXGMETZVIJ-APWZRJJASA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001481740385 1096481324 /nfs/dbraw/zinc/48/13/24/1096481324.db2.gz BGQMYNJBUMMGKL-LPHOPBHVSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001481740385 1096481328 /nfs/dbraw/zinc/48/13/28/1096481328.db2.gz BGQMYNJBUMMGKL-LPHOPBHVSA-N 1 3 339.499 2.698 10 30 EFEEHO C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001481938539 1096968852 /nfs/dbraw/zinc/96/88/52/1096968852.db2.gz BXWNQTFFPARSAD-CRAIPNDOSA-N 1 3 341.927 2.735 10 30 EFEEHO C=C(Cl)CNC[C@@](C)(NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001481938539 1096968853 /nfs/dbraw/zinc/96/88/53/1096968853.db2.gz BXWNQTFFPARSAD-CRAIPNDOSA-N 1 3 341.927 2.735 10 30 EFEEHO C#CCN1CCC(C(=O)NCc2ccc(C[NH2+]CCCC)cc2)CC1 ZINC001482035925 1097135890 /nfs/dbraw/zinc/13/58/90/1097135890.db2.gz PWFKJQCQMLPMHF-UHFFFAOYSA-N 1 3 341.499 2.538 10 30 EFEEHO C#CCNCc1ccc(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)cc1 ZINC001270065504 1098653569 /nfs/dbraw/zinc/65/35/69/1098653569.db2.gz OJIJPWNQVTZHOU-UHFFFAOYSA-N 1 3 341.499 2.679 10 30 EFEEHO C#CCNCc1ccc(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)cc1 ZINC001270065504 1098653571 /nfs/dbraw/zinc/65/35/71/1098653571.db2.gz OJIJPWNQVTZHOU-UHFFFAOYSA-N 1 3 341.499 2.679 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]C[C@@H](C)CC)C2CCCC2)CC1 ZINC001270459019 1099112502 /nfs/dbraw/zinc/11/25/02/1099112502.db2.gz YJGFEUVJCAJPDL-FXAWDEMLSA-N 1 3 347.547 2.642 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]CCC2=CCCCC2)CC1 ZINC001268016060 1099187716 /nfs/dbraw/zinc/18/77/16/1099187716.db2.gz YDINZSSPPTUJPI-GOSISDBHSA-N 1 3 345.531 2.564 10 30 EFEEHO CC[C@@H](CNC(=O)CC[N@H+](C)CC)NCC#Cc1cccc(Cl)c1 ZINC001267826409 1099473798 /nfs/dbraw/zinc/47/37/98/1099473798.db2.gz HVZBHZFKOCPSFP-SFHVURJKSA-N 1 3 349.906 2.518 10 30 EFEEHO CC[C@@H](CNC(=O)CC[N@@H+](C)CC)NCC#Cc1cccc(Cl)c1 ZINC001267826409 1099473801 /nfs/dbraw/zinc/47/38/01/1099473801.db2.gz HVZBHZFKOCPSFP-SFHVURJKSA-N 1 3 349.906 2.518 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001481370847 1099503093 /nfs/dbraw/zinc/50/30/93/1099503093.db2.gz NATJSKQKMQRYAU-LJQANCHMSA-N 1 3 329.488 2.742 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CCC2=CCCCC2)CC1 ZINC001267832093 1099507216 /nfs/dbraw/zinc/50/72/16/1099507216.db2.gz XLISQCQIVUIXJM-HXUWFJFHSA-N 1 3 345.531 2.707 10 30 EFEEHO CC[C@@H](C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1)[NH+](CC)CC ZINC001482330858 1099627325 /nfs/dbraw/zinc/62/73/25/1099627325.db2.gz NCUADQGQCHZGBU-ICSRJNTNSA-N 1 3 343.515 2.595 10 30 EFEEHO C=CCN(C)CCN(CC)C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001640020180 1101005972 /nfs/dbraw/zinc/00/59/72/1101005972.db2.gz QJJSTIHQGRBQAJ-FQEVSTJZSA-N 1 3 343.515 2.832 10 30 EFEEHO C#CCC[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1CCCCC1 ZINC001271348575 1101414675 /nfs/dbraw/zinc/41/46/75/1101414675.db2.gz XWGJIZUEXVSTEN-GOSISDBHSA-N 1 3 335.536 2.642 10 30 EFEEHO C#CCC[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C1CCCCC1 ZINC001271348577 1101415404 /nfs/dbraw/zinc/41/54/04/1101415404.db2.gz XWGJIZUEXVSTEN-SFHVURJKSA-N 1 3 335.536 2.642 10 30 EFEEHO C=CCCCCCN1CC[C@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001656078007 1101937963 /nfs/dbraw/zinc/93/79/63/1101937963.db2.gz RZDHGKANUWJRPI-SFHVURJKSA-N 1 3 333.520 2.894 10 30 EFEEHO C#CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001656447445 1102089925 /nfs/dbraw/zinc/08/99/25/1102089925.db2.gz HPSDZFRKQVAJGR-ZWKOTPCHSA-N 1 3 335.536 2.594 10 30 EFEEHO C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001656905240 1102254206 /nfs/dbraw/zinc/25/42/06/1102254206.db2.gz TURVWEKCPHQUAS-RTBURBONSA-N 1 3 333.520 2.635 10 30 EFEEHO C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001271710624 1102277754 /nfs/dbraw/zinc/27/77/54/1102277754.db2.gz BJUYCPKZELGUHB-QFBILLFUSA-N 1 3 329.488 2.622 10 30 EFEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001271710619 1102277858 /nfs/dbraw/zinc/27/78/58/1102277858.db2.gz BJUYCPKZELGUHB-APWZRJJASA-N 1 3 329.488 2.622 10 30 EFEEHO C=CCC[C@H](C)[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001271766339 1102629131 /nfs/dbraw/zinc/62/91/31/1102629131.db2.gz MWAUTUSEWYIAPV-PKOBYXMFSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001271766339 1102629136 /nfs/dbraw/zinc/62/91/36/1102629136.db2.gz MWAUTUSEWYIAPV-PKOBYXMFSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001266906018 1102652618 /nfs/dbraw/zinc/65/26/18/1102652618.db2.gz CJGDVABURREPTI-KVIJGQROSA-N 1 3 333.520 2.652 10 30 EFEEHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001266906018 1102652625 /nfs/dbraw/zinc/65/26/25/1102652625.db2.gz CJGDVABURREPTI-KVIJGQROSA-N 1 3 333.520 2.652 10 30 EFEEHO C#CCN1CCC(C(=O)NC2CCC([NH2+]CCCC(C)C)CC2)CC1 ZINC001266916942 1102686487 /nfs/dbraw/zinc/68/64/87/1102686487.db2.gz LFCYRUXSKQDJFJ-UHFFFAOYSA-N 1 3 347.547 2.785 10 30 EFEEHO C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001670523406 1102800207 /nfs/dbraw/zinc/80/02/07/1102800207.db2.gz XGMLRYQVIZOXLE-VQIMIIECSA-N 1 3 339.499 2.650 10 30 EFEEHO C=C(C)CC[NH2+][C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001271900771 1103006655 /nfs/dbraw/zinc/00/66/55/1103006655.db2.gz KJWOGXLKKLEQLC-LPHOPBHVSA-N 1 3 341.515 2.896 10 30 EFEEHO C=C(C)CN1CCC(N(CCC)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001661094134 1103127621 /nfs/dbraw/zinc/12/76/21/1103127621.db2.gz IYTVMVNAAIYJFS-UHFFFAOYSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001662796566 1103817791 /nfs/dbraw/zinc/81/77/91/1103817791.db2.gz BHBFGQHYOPUPHK-RBUKOAKNSA-N 1 3 347.547 2.785 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CC2CCCCCC2)CC1 ZINC001663014194 1103922870 /nfs/dbraw/zinc/92/28/70/1103922870.db2.gz OUQPMTRQDLEEKE-SFHVURJKSA-N 1 3 347.547 2.786 10 30 EFEEHO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001663103900 1103980962 /nfs/dbraw/zinc/98/09/62/1103980962.db2.gz DVLFDRRIGOXZEV-VQIMIIECSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001663103900 1103980971 /nfs/dbraw/zinc/98/09/71/1103980971.db2.gz DVLFDRRIGOXZEV-VQIMIIECSA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001663528596 1104135111 /nfs/dbraw/zinc/13/51/11/1104135111.db2.gz RFEMBDDNZBXKRR-APWZRJJASA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001663528596 1104135115 /nfs/dbraw/zinc/13/51/15/1104135115.db2.gz RFEMBDDNZBXKRR-APWZRJJASA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(C)CN(CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001663749778 1104207363 /nfs/dbraw/zinc/20/73/63/1104207363.db2.gz UCIPKILCEVLCBE-IBGZPJMESA-N 1 3 333.520 2.940 10 30 EFEEHO C=C(C)CN(CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001663749778 1104207368 /nfs/dbraw/zinc/20/73/68/1104207368.db2.gz UCIPKILCEVLCBE-IBGZPJMESA-N 1 3 333.520 2.940 10 30 EFEEHO C=CCCC[N@@H+](C)CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001482628278 1104688556 /nfs/dbraw/zinc/68/85/56/1104688556.db2.gz LODLQWHTAQKJFY-SFHVURJKSA-N 1 3 327.488 2.555 10 30 EFEEHO C=CCCC[N@H+](C)CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001482628278 1104688560 /nfs/dbraw/zinc/68/85/60/1104688560.db2.gz LODLQWHTAQKJFY-SFHVURJKSA-N 1 3 327.488 2.555 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001666501297 1104953826 /nfs/dbraw/zinc/95/38/26/1104953826.db2.gz UFZXNEYPBOAOHI-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001666501297 1104953832 /nfs/dbraw/zinc/95/38/32/1104953832.db2.gz UFZXNEYPBOAOHI-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001671384628 1105632229 /nfs/dbraw/zinc/63/22/29/1105632229.db2.gz NKXPPRSTJJJGPY-IBGZPJMESA-N 1 3 329.488 2.909 10 30 EFEEHO C#CCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](CCCCCC)CC1 ZINC001671491579 1105644710 /nfs/dbraw/zinc/64/47/10/1105644710.db2.gz DRFMKSZPXLSIPE-IBGZPJMESA-N 1 3 347.547 2.835 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001672338291 1105805693 /nfs/dbraw/zinc/80/56/93/1105805693.db2.gz GNDBZNOQWJFHBK-APWZRJJASA-N 1 3 329.488 2.622 10 30 EFEEHO C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001672377495 1105817302 /nfs/dbraw/zinc/81/73/02/1105817302.db2.gz WMSYRKOOMKJODN-UFYCRDLUSA-N 1 3 347.547 2.785 10 30 EFEEHO C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001672391790 1105821602 /nfs/dbraw/zinc/82/16/02/1105821602.db2.gz ACYPYUMZVBUKSK-UHFFFAOYSA-N 1 3 329.488 2.665 10 30 EFEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001672947406 1105947364 /nfs/dbraw/zinc/94/73/64/1105947364.db2.gz HZNQREDKQBHNEW-GOSISDBHSA-N 1 3 341.499 2.853 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001674775921 1106255264 /nfs/dbraw/zinc/25/52/64/1106255264.db2.gz YXDJJFWVJQJMNI-IRXDYDNUSA-N 1 3 335.536 2.641 10 30 EFEEHO C=CCC[N@@H+](C)CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001677211615 1106676949 /nfs/dbraw/zinc/67/69/49/1106676949.db2.gz SFPJYXYXSUZREQ-IBGZPJMESA-N 1 3 341.515 2.944 10 30 EFEEHO C=CCC[N@H+](C)CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001677211615 1106676952 /nfs/dbraw/zinc/67/69/52/1106676952.db2.gz SFPJYXYXSUZREQ-IBGZPJMESA-N 1 3 341.515 2.944 10 30 EFEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001677307263 1106695455 /nfs/dbraw/zinc/69/54/55/1106695455.db2.gz ZKSZFZPOJAYFHX-MSOLQXFVSA-N 1 3 335.536 2.641 10 30 EFEEHO C=C(C)C[NH+]1CCC(NC[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905097053 1108427062 /nfs/dbraw/zinc/42/70/62/1108427062.db2.gz NXJOCLMDMQMSDC-LBPRGKRZSA-N 1 3 330.341 2.565 10 30 EFEEHO C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001272565866 1108673512 /nfs/dbraw/zinc/67/35/12/1108673512.db2.gz PIFCSBNZROWBCU-QFBILLFUSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)CN(C)Cc1ccccc1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001272675004 1112386060 /nfs/dbraw/zinc/38/60/60/1112386060.db2.gz CQPYEIYXEKVAOF-UHFFFAOYSA-N 1 3 329.488 2.653 10 30 EFEEHO C#CCNC[C@@H](NC(=O)CCC[NH+](C)C)c1ccc2ccccc2c1 ZINC001483993559 1112642531 /nfs/dbraw/zinc/64/25/31/1112642531.db2.gz XLFJJFVMUULZJW-HXUWFJFHSA-N 1 3 337.467 2.562 10 30 EFEEHO C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001485004424 1117934361 /nfs/dbraw/zinc/93/43/61/1117934361.db2.gz NNKZDRQPSDYHGE-LJQANCHMSA-N 1 3 329.488 2.620 10 30 EFEEHO C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001485081524 1118030859 /nfs/dbraw/zinc/03/08/59/1118030859.db2.gz FCYMCSNXZWOJFX-QZTJIDSGSA-N 1 3 335.536 2.711 10 30 EFEEHO C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001485081524 1118030863 /nfs/dbraw/zinc/03/08/63/1118030863.db2.gz FCYMCSNXZWOJFX-QZTJIDSGSA-N 1 3 335.536 2.711 10 30 EFEEHO C#CCC[NH2+]CC1(NC(=O)[C@@H](C)N2CCCCCC2)CCCCC1 ZINC001485456922 1118369917 /nfs/dbraw/zinc/36/99/17/1118369917.db2.gz CHFYYKHTAJJVCJ-GOSISDBHSA-N 1 3 333.520 2.683 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]C[C@H](C)CC)CCCCC2)CC1 ZINC001485459432 1118382747 /nfs/dbraw/zinc/38/27/47/1118382747.db2.gz QVJFQXFPLDVCCP-GOSISDBHSA-N 1 3 347.547 2.786 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](CCC[NH2+]CC)c2ccccc2)CC1 ZINC001485780780 1118588320 /nfs/dbraw/zinc/58/83/20/1118588320.db2.gz XUJSZIXJNLXSSK-HXUWFJFHSA-N 1 3 341.499 2.579 10 30 EFEEHO C=CC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000941027079 1118657514 /nfs/dbraw/zinc/65/75/14/1118657514.db2.gz RRGGUVXNLSNAJK-HNAYVOBHSA-N 1 3 339.499 2.602 10 30 EFEEHO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000941027079 1118657516 /nfs/dbraw/zinc/65/75/16/1118657516.db2.gz RRGGUVXNLSNAJK-HNAYVOBHSA-N 1 3 339.499 2.602 10 30 EFEEHO [NH2+]=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)NC1CCCC1 ZINC000262372491 240349551 /nfs/dbraw/zinc/34/95/51/240349551.db2.gz MFHSOCUWRWWGQV-UHFFFAOYSA-N 1 3 332.414 2.639 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000245591937 240257532 /nfs/dbraw/zinc/25/75/32/240257532.db2.gz BEIFAGZMMCCFCH-MOPGFXCFSA-N 1 3 348.535 2.684 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000245591937 240257541 /nfs/dbraw/zinc/25/75/41/240257541.db2.gz BEIFAGZMMCCFCH-MOPGFXCFSA-N 1 3 348.535 2.684 10 30 EFEEHO CC[NH+]=C(NCc1ccc2c(c1)COC2)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000262010605 240338762 /nfs/dbraw/zinc/33/87/62/240338762.db2.gz WMMFUPDNQXWVEY-HNAYVOBHSA-N 1 3 344.503 2.501 10 30 EFEEHO CC[NH+]1CCC(CCNC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433382916 248055175 /nfs/dbraw/zinc/05/51/75/248055175.db2.gz QLJFKQOJHHCTDT-IBGZPJMESA-N 1 3 327.472 2.997 10 30 EFEEHO N#Cc1ccc(OCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000567645834 319192463 /nfs/dbraw/zinc/19/24/63/319192463.db2.gz BWNWDKWYELUOCP-TZIWHRDSSA-N 1 3 349.434 2.783 10 30 EFEEHO CC[NH+](CC)CC1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000354411783 476645471 /nfs/dbraw/zinc/64/54/71/476645471.db2.gz YWXVDOBAUUZYAQ-UHFFFAOYSA-N 1 3 345.487 2.999 10 30 EFEEHO C=CCN1CCC(N[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422865268 476819175 /nfs/dbraw/zinc/81/91/75/476819175.db2.gz XMAKLWRDOKEDBG-UXHICEINSA-N 1 3 329.488 2.728 10 30 EFEEHO C=CCOc1ccccc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415121917 476908268 /nfs/dbraw/zinc/90/82/68/476908268.db2.gz HTMKMYJUGZWOTC-ICSRJNTNSA-N 1 3 330.472 2.970 10 30 EFEEHO C=CCOc1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530247891 477879785 /nfs/dbraw/zinc/87/97/85/477879785.db2.gz CMYNANATBRDPCC-FQEVSTJZSA-N 1 3 330.472 2.842 10 30 EFEEHO C=CCOc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530247695 477879815 /nfs/dbraw/zinc/87/98/15/477879815.db2.gz CDDSLOZHLOVJGK-FQEVSTJZSA-N 1 3 330.472 2.842 10 30 EFEEHO C=CCOc1ccccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247940 477879848 /nfs/dbraw/zinc/87/98/48/477879848.db2.gz DXYRQXOFQMZZJI-LJQANCHMSA-N 1 3 330.472 2.842 10 30 EFEEHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594436826 478386981 /nfs/dbraw/zinc/38/69/81/478386981.db2.gz GGTKMVWQEDZFNT-QRQLOZEOSA-N 1 3 342.487 2.567 10 30 EFEEHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594436826 478386984 /nfs/dbraw/zinc/38/69/84/478386984.db2.gz GGTKMVWQEDZFNT-QRQLOZEOSA-N 1 3 342.487 2.567 10 30 EFEEHO N#CCCCC[C@@H](N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000594438005 478387645 /nfs/dbraw/zinc/38/76/45/478387645.db2.gz QUJVQWKXTXXUPX-GOSISDBHSA-N 1 3 328.460 2.675 10 30 EFEEHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594439088 478389434 /nfs/dbraw/zinc/38/94/34/478389434.db2.gz SGNYBJUYBSHFSN-KZNAEPCWSA-N 1 3 334.508 2.511 10 30 EFEEHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594439088 478389440 /nfs/dbraw/zinc/38/94/40/478389440.db2.gz SGNYBJUYBSHFSN-KZNAEPCWSA-N 1 3 334.508 2.511 10 30 EFEEHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H](N)CCCCC#N)cc21 ZINC000594439557 478389773 /nfs/dbraw/zinc/38/97/73/478389773.db2.gz RYZSCWVTTFJPBV-QGZVFWFLSA-N 1 3 341.459 2.553 10 30 EFEEHO N#CCCCC[C@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000594447210 478393785 /nfs/dbraw/zinc/39/37/85/478393785.db2.gz VLUOKPNFLKMNEQ-SFHVURJKSA-N 1 3 334.508 2.512 10 30 EFEEHO N#CC1(C[C@H](O)CNCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000600714325 478480578 /nfs/dbraw/zinc/48/05/78/478480578.db2.gz LDAMGLOSPMHPRR-IBGZPJMESA-N 1 3 327.472 2.817 10 30 EFEEHO N#Cc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000594953862 478602647 /nfs/dbraw/zinc/60/26/47/478602647.db2.gz JQOBOUGKMQQRQM-UHFFFAOYSA-N 1 3 331.435 2.678 10 30 EFEEHO N#Cc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1F ZINC000594973000 478613440 /nfs/dbraw/zinc/61/34/40/478613440.db2.gz AYXLTYHKYNDTIW-IBGZPJMESA-N 1 3 339.414 2.554 10 30 EFEEHO Cc1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ccc1C#N ZINC000594975864 478616293 /nfs/dbraw/zinc/61/62/93/478616293.db2.gz WCTBZGJFJXXVFJ-OAQYLSRUSA-N 1 3 335.451 2.723 10 30 EFEEHO Cc1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1C#N ZINC000594975864 478616296 /nfs/dbraw/zinc/61/62/96/478616296.db2.gz WCTBZGJFJXXVFJ-OAQYLSRUSA-N 1 3 335.451 2.723 10 30 EFEEHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405541 479286040 /nfs/dbraw/zinc/28/60/40/479286040.db2.gz YOAGXXIGODPVRC-IAGOWNOFSA-N 1 3 347.528 2.865 10 30 EFEEHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405541 479286045 /nfs/dbraw/zinc/28/60/45/479286045.db2.gz YOAGXXIGODPVRC-IAGOWNOFSA-N 1 3 347.528 2.865 10 30 EFEEHO CC[C@@H]([NH2+]CC#CCN[C@@H](CC)[C@@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000653874443 481505976 /nfs/dbraw/zinc/50/59/76/481505976.db2.gz GXHGSWHEOATZOU-YRPNKDGESA-N 1 3 336.520 2.864 10 30 EFEEHO CC[C@@H](NCC#CC[NH2+][C@@H](CC)[C@@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000653874443 481505969 /nfs/dbraw/zinc/50/59/69/481505969.db2.gz GXHGSWHEOATZOU-YRPNKDGESA-N 1 3 336.520 2.864 10 30 EFEEHO C=CC[C@@]1(C(=O)NC[C@H](c2ccccc2)N(CC)CC)CCC[NH2+]1 ZINC000662391675 481779833 /nfs/dbraw/zinc/77/98/33/481779833.db2.gz FDYZBPLVJRIQJX-QUCCMNQESA-N 1 3 329.488 2.884 10 30 EFEEHO C=CC[C@@H]1CC[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000651693675 481908074 /nfs/dbraw/zinc/90/80/74/481908074.db2.gz ZLCDXLMYBLHEEU-RTBURBONSA-N 1 3 328.504 2.928 10 30 EFEEHO C=CC[C@@]1(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCC[NH2+]1 ZINC000662698213 481939699 /nfs/dbraw/zinc/93/96/99/481939699.db2.gz JTMWWJQIJVGHOD-LPHOPBHVSA-N 1 3 347.528 2.775 10 30 EFEEHO C=CC[C@]1(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000662719080 481947028 /nfs/dbraw/zinc/94/70/28/481947028.db2.gz WKCBNMSAJDWBSG-OXJNMPFZSA-N 1 3 329.488 2.930 10 30 EFEEHO C=CC[C@]1(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662719616 481947684 /nfs/dbraw/zinc/94/76/84/481947684.db2.gz HOWAOFFXIDDERD-OAQYLSRUSA-N 1 3 341.499 2.808 10 30 EFEEHO N#Cc1ccc2ncc(C[NH2+]CC3CCN(c4ccncc4)CC3)n2c1 ZINC000180275085 526694124 /nfs/dbraw/zinc/69/41/24/526694124.db2.gz VSJJOEUCTIBWDE-UHFFFAOYSA-N 1 3 346.438 2.607 10 30 EFEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(-c2ccccn2)c1 ZINC000160784326 529074072 /nfs/dbraw/zinc/07/40/72/529074072.db2.gz JONLVCPFOPFDRE-GOSISDBHSA-N 1 3 337.471 2.637 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC/C=C/CCC)CC1 ZINC001691112615 1248433314 /nfs/dbraw/zinc/43/33/14/1248433314.db2.gz IQTFWKQMMXJRTG-ROUKRRSUSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC/C=C/CCC)CC1 ZINC001691112615 1248433320 /nfs/dbraw/zinc/43/33/20/1248433320.db2.gz IQTFWKQMMXJRTG-ROUKRRSUSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001691277223 1248588455 /nfs/dbraw/zinc/58/84/55/1248588455.db2.gz SZRYAAHMGNEMMU-SFHVURJKSA-N 1 3 347.547 2.691 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC/C=C/CC)CC2)CC1 ZINC001484727856 1252818675 /nfs/dbraw/zinc/81/86/75/1252818675.db2.gz HDFJXSGNGDZRBV-XJDXJNMNSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC/C=C/CC)CC2)CC1 ZINC001484727856 1252818691 /nfs/dbraw/zinc/81/86/91/1252818691.db2.gz HDFJXSGNGDZRBV-XJDXJNMNSA-N 1 3 345.531 2.659 10 30 EFEEHO C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001485827537 1257000383 /nfs/dbraw/zinc/00/03/83/1257000383.db2.gz PLCLUDAWSRNRDE-QFBILLFUSA-N 1 3 339.499 2.602 10 30 EFEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001273027305 1266189117 /nfs/dbraw/zinc/18/91/17/1266189117.db2.gz RWKOYQXXWOQUPO-NXHRZFHOSA-N 1 3 349.906 2.569 10 30 EFEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001273027305 1266189123 /nfs/dbraw/zinc/18/91/23/1266189123.db2.gz RWKOYQXXWOQUPO-NXHRZFHOSA-N 1 3 349.906 2.569 10 30 EFEEHO C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001670923568 1258701842 /nfs/dbraw/zinc/70/18/42/1258701842.db2.gz NTOTYCOGHBFJHE-ZWKOTPCHSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001670923568 1258701845 /nfs/dbraw/zinc/70/18/45/1258701845.db2.gz NTOTYCOGHBFJHE-ZWKOTPCHSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](F)CN(CC)CC)C2)C1 ZINC001671038552 1259821552 /nfs/dbraw/zinc/82/15/52/1259821552.db2.gz DTIHHROTLQPARH-MJGOQNOKSA-N 1 3 339.499 2.557 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](F)CN(CC)CC)C2)C1 ZINC001671038552 1259821559 /nfs/dbraw/zinc/82/15/59/1259821559.db2.gz DTIHHROTLQPARH-MJGOQNOKSA-N 1 3 339.499 2.557 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001671044086 1259930378 /nfs/dbraw/zinc/93/03/78/1259930378.db2.gz BATAKSJXPVNYNR-ICSRJNTNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001671044086 1259930390 /nfs/dbraw/zinc/93/03/90/1259930390.db2.gz BATAKSJXPVNYNR-ICSRJNTNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCN1CCc2c(CNC(=O)[C@H](CC)[NH+](CC)CC)cccc2C1 ZINC001272917321 1261330563 /nfs/dbraw/zinc/33/05/63/1261330563.db2.gz SRLYMPKTBQZTDU-FQEVSTJZSA-N 1 3 343.515 2.967 10 30 EFEEHO CC#CCN1CCC([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001486447675 1263137228 /nfs/dbraw/zinc/13/72/28/1263137228.db2.gz JZMSAYZJDRQZOT-SFHVURJKSA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001486476603 1263202921 /nfs/dbraw/zinc/20/29/21/1263202921.db2.gz GJQFWGKPZHEGHP-LADRWXRNSA-N 1 3 339.499 2.744 10 30 EFEEHO C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001691669913 1266509121 /nfs/dbraw/zinc/50/91/21/1266509121.db2.gz DFYBONRDSQYZEC-RBUKOAKNSA-N 1 3 329.488 2.788 10 30 EFEEHO C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001691669913 1266509131 /nfs/dbraw/zinc/50/91/31/1266509131.db2.gz DFYBONRDSQYZEC-RBUKOAKNSA-N 1 3 329.488 2.788 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001671085317 1281423703 /nfs/dbraw/zinc/42/37/03/1281423703.db2.gz OFQQMARERNFCIM-PZJWPPBQSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001671085317 1281423705 /nfs/dbraw/zinc/42/37/05/1281423705.db2.gz OFQQMARERNFCIM-PZJWPPBQSA-N 1 3 347.547 2.997 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000876719068 1290988740 /nfs/dbraw/zinc/98/87/40/1290988740.db2.gz CHHRNDVJHBGWBS-KRWDZBQOSA-N 1 3 335.879 2.546 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N(CC[NH+](CC)CC)Cc1ccccc1 ZINC000876740153 1290999106 /nfs/dbraw/zinc/99/91/06/1290999106.db2.gz IAJLMMBUNIJLKC-KRWDZBQOSA-N 1 3 337.895 2.827 10 30 EFEEHO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000876885738 1291058193 /nfs/dbraw/zinc/05/81/93/1291058193.db2.gz ZJIODPRUSKGSRU-RDJZCZTQSA-N 1 3 335.879 2.579 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000876903153 1291065811 /nfs/dbraw/zinc/06/58/11/1291065811.db2.gz RKSXVVZEWDWDMZ-NXHRZFHOSA-N 1 3 349.906 2.873 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000876903153 1291065821 /nfs/dbraw/zinc/06/58/21/1291065821.db2.gz RKSXVVZEWDWDMZ-NXHRZFHOSA-N 1 3 349.906 2.873 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000876903152 1291065922 /nfs/dbraw/zinc/06/59/22/1291065922.db2.gz RKSXVVZEWDWDMZ-NJAFHUGGSA-N 1 3 349.906 2.873 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000876903152 1291065928 /nfs/dbraw/zinc/06/59/28/1291065928.db2.gz RKSXVVZEWDWDMZ-NJAFHUGGSA-N 1 3 349.906 2.873 10 30 EFEEHO C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001273599022 1292115461 /nfs/dbraw/zinc/11/54/61/1292115461.db2.gz MSFZZGJKDOSMTL-MOPGFXCFSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001273599022 1292115468 /nfs/dbraw/zinc/11/54/68/1292115468.db2.gz MSFZZGJKDOSMTL-MOPGFXCFSA-N 1 3 335.536 2.855 10 30 EFEEHO CC#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001273606544 1292295942 /nfs/dbraw/zinc/29/59/42/1292295942.db2.gz ADXFJFUQSRRONZ-WOJBJXKFSA-N 1 3 347.547 2.835 10 30 EFEEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000925724797 1296872229 /nfs/dbraw/zinc/87/22/29/1296872229.db2.gz DGEPAMOOVAGCPC-HOJAQTOUSA-N 1 3 338.499 2.893 10 30 EFEEHO Cc1cc(C#N)cc(C)c1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000930136585 1297238299 /nfs/dbraw/zinc/23/82/99/1297238299.db2.gz NWJDWJOGUYFKML-WIYYLYMNSA-N 1 3 340.515 2.633 10 30 EFEEHO C#CCN(C(=O)CN(C)CCC)C1CC[NH+](CC2CCCCC2)CC1 ZINC001278194318 1313769699 /nfs/dbraw/zinc/76/96/99/1313769699.db2.gz KFGYPVGWKKNAAI-UHFFFAOYSA-N 1 3 347.547 2.835 10 30 EFEEHO CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001490802378 1303943409 /nfs/dbraw/zinc/94/34/09/1303943409.db2.gz YIILTTUWJNZGIQ-KDURUIRLSA-N 1 3 335.536 2.974 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCCC)CC2(C)C)CC1 ZINC001276622686 1314109556 /nfs/dbraw/zinc/10/95/56/1314109556.db2.gz AXTIRHLKNGRIFO-LJQANCHMSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCCCCC)CC2(C)C)CC1 ZINC001276622686 1314109557 /nfs/dbraw/zinc/10/95/57/1314109557.db2.gz AXTIRHLKNGRIFO-LJQANCHMSA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCC[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001276624617 1314117533 /nfs/dbraw/zinc/11/75/33/1314117533.db2.gz KYOKDQJONVPHEY-ROUUACIJSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001276624617 1314117537 /nfs/dbraw/zinc/11/75/37/1314117537.db2.gz KYOKDQJONVPHEY-ROUUACIJSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001278334062 1314138353 /nfs/dbraw/zinc/13/83/53/1314138353.db2.gz ADKYHGFSOLJQOP-IBGZPJMESA-N 1 3 330.476 2.623 10 30 EFEEHO C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001278334062 1314138355 /nfs/dbraw/zinc/13/83/55/1314138355.db2.gz ADKYHGFSOLJQOP-IBGZPJMESA-N 1 3 330.476 2.623 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001276862730 1311216762 /nfs/dbraw/zinc/21/67/62/1311216762.db2.gz PHCMZGDEYIMCOZ-QGZVFWFLSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001276862730 1311216763 /nfs/dbraw/zinc/21/67/63/1311216763.db2.gz PHCMZGDEYIMCOZ-QGZVFWFLSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[C@H]([NH2+]CCCN1CCN(CC)CC1)[C@]1(C)CCCCO1 ZINC000902745622 1312071818 /nfs/dbraw/zinc/07/18/18/1312071818.db2.gz RSCAQNLZFXEWJV-PMACEKPBSA-N 1 3 337.552 2.898 10 30 EFEEHO C=CCC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@]1(C)CCCCO1 ZINC000902981607 1312258608 /nfs/dbraw/zinc/25/86/08/1312258608.db2.gz PSVOXDNPAQHPHO-ICSRJNTNSA-N 1 3 337.552 2.896 10 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1315643262 /nfs/dbraw/zinc/64/32/62/1315643262.db2.gz ZCOSNAJYUHEZML-OAHLLOKOSA-N 1 3 343.462 2.510 10 30 EFEEHO C=CCN1CCC(N(CCC)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001265340831 1316786016 /nfs/dbraw/zinc/78/60/16/1316786016.db2.gz DATUOTYXGCHXLH-IEBWSBKVSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001265522636 1316818586 /nfs/dbraw/zinc/81/85/86/1316818586.db2.gz ACLNCSFKKXOKFB-MSOLQXFVSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001265522636 1316818589 /nfs/dbraw/zinc/81/85/89/1316818589.db2.gz ACLNCSFKKXOKFB-MSOLQXFVSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001266215011 1317155251 /nfs/dbraw/zinc/15/52/51/1317155251.db2.gz HHAAWBRBCKUFQU-YESZJQIVSA-N 1 3 341.927 2.830 10 30 EFEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001266215011 1317155256 /nfs/dbraw/zinc/15/52/56/1317155256.db2.gz HHAAWBRBCKUFQU-YESZJQIVSA-N 1 3 341.927 2.830 10 30 EFEEHO C=CCCC[NH+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001280394644 1317541660 /nfs/dbraw/zinc/54/16/60/1317541660.db2.gz UCRHWSYFVWGTCJ-QZTJIDSGSA-N 1 3 333.520 2.750 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001318854589 1328723102 /nfs/dbraw/zinc/72/31/02/1328723102.db2.gz KFCQFTBQKGODKQ-KRWDZBQOSA-N 1 3 341.927 2.833 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001281099969 1318013266 /nfs/dbraw/zinc/01/32/66/1318013266.db2.gz JNJMWXZAGMFWNM-ICSRJNTNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001281099969 1318013273 /nfs/dbraw/zinc/01/32/73/1318013273.db2.gz JNJMWXZAGMFWNM-ICSRJNTNSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCC[NH2+]CCC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001318938838 1328746187 /nfs/dbraw/zinc/74/61/87/1328746187.db2.gz ZREMJNXYJSUUGT-UHFFFAOYSA-N 1 3 341.499 2.603 10 30 EFEEHO C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)CN(C)CCC)cc2C1 ZINC001281300458 1318157446 /nfs/dbraw/zinc/15/74/46/1318157446.db2.gz VLFWXSDUGWQBCT-UHFFFAOYSA-N 1 3 329.488 2.926 10 30 EFEEHO C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)CN(C)CCC)cc2C1 ZINC001281300458 1318157450 /nfs/dbraw/zinc/15/74/50/1318157450.db2.gz VLFWXSDUGWQBCT-UHFFFAOYSA-N 1 3 329.488 2.926 10 30 EFEEHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001281905253 1318619744 /nfs/dbraw/zinc/61/97/44/1318619744.db2.gz IQFRXADKRZJGBT-YFVAEKQCSA-N 1 3 341.499 2.809 10 30 EFEEHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001281905253 1318619751 /nfs/dbraw/zinc/61/97/51/1318619751.db2.gz IQFRXADKRZJGBT-YFVAEKQCSA-N 1 3 341.499 2.809 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001281975850 1318643067 /nfs/dbraw/zinc/64/30/67/1318643067.db2.gz QVQRIWMOEMCQRE-RBUKOAKNSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001281975850 1318643078 /nfs/dbraw/zinc/64/30/78/1318643078.db2.gz QVQRIWMOEMCQRE-RBUKOAKNSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC001282996237 1319247867 /nfs/dbraw/zinc/24/78/67/1319247867.db2.gz LGVJHYQTPKTGNJ-UKAVVXHISA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC001282996237 1319247875 /nfs/dbraw/zinc/24/78/75/1319247875.db2.gz LGVJHYQTPKTGNJ-UKAVVXHISA-N 1 3 347.547 2.996 10 30 EFEEHO CC#CCN1CCC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001284719451 1320490838 /nfs/dbraw/zinc/49/08/38/1320490838.db2.gz OBJJVTZKNVRLHT-KRWDZBQOSA-N 1 3 347.547 2.879 10 30 EFEEHO CC#CCN1CCC([C@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001284719451 1320490839 /nfs/dbraw/zinc/49/08/39/1320490839.db2.gz OBJJVTZKNVRLHT-KRWDZBQOSA-N 1 3 347.547 2.879 10 30 EFEEHO C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001319773901 1328984284 /nfs/dbraw/zinc/98/42/84/1328984284.db2.gz GEOMCYNBMQQRPU-VQIMIIECSA-N 1 3 339.499 2.746 10 30 EFEEHO CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001319867557 1329022018 /nfs/dbraw/zinc/02/20/18/1329022018.db2.gz FUXNCEXWALCLSC-PXNSSMCTSA-N 1 3 341.499 2.602 10 30 EFEEHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001492128935 1324236220 /nfs/dbraw/zinc/23/62/20/1324236220.db2.gz JBPUHEVWNQIPMW-INIZCTEOSA-N 1 3 349.906 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)CC2CCC(C)CC2)CC1 ZINC001316871303 1325240477 /nfs/dbraw/zinc/24/04/77/1325240477.db2.gz VYZCFWXKIWHYBV-UHFFFAOYSA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@H+](C)CC2CCC(C)CC2)CC1 ZINC001316871303 1325240487 /nfs/dbraw/zinc/24/04/87/1325240487.db2.gz VYZCFWXKIWHYBV-UHFFFAOYSA-N 1 3 347.547 2.596 10 30 EFEEHO CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001317099794 1325564245 /nfs/dbraw/zinc/56/42/45/1325564245.db2.gz JVMBDHUFQUZJTL-PMACEKPBSA-N 1 3 345.531 2.589 10 30 EFEEHO C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317106655 1325578141 /nfs/dbraw/zinc/57/81/41/1325578141.db2.gz YSDXQROHSYYCGK-AZUAARDMSA-N 1 3 345.531 2.587 10 30 EFEEHO C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317106655 1325578156 /nfs/dbraw/zinc/57/81/56/1325578156.db2.gz YSDXQROHSYYCGK-AZUAARDMSA-N 1 3 345.531 2.587 10 30 EFEEHO C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001321248250 1329362790 /nfs/dbraw/zinc/36/27/90/1329362790.db2.gz ACHTZWBCRZITCF-JCRZBSBLSA-N 1 3 339.499 2.816 10 30 EFEEHO C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001317191619 1327711586 /nfs/dbraw/zinc/71/15/86/1327711586.db2.gz IPHSGXBGLGJEHM-APWZRJJASA-N 1 3 339.499 2.746 10 30 EFEEHO C#CC[NH2+][C@H](CNC(=O)[C@H](c1ccccc1)N(C)CC)c1ccccc1 ZINC001317727777 1328337498 /nfs/dbraw/zinc/33/74/98/1328337498.db2.gz XQOUJKQVBTVMEC-RTWAWAEBSA-N 1 3 349.478 2.760 10 30 EFEEHO C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(N(C)C)CCC1 ZINC001323658378 1329559401 /nfs/dbraw/zinc/55/94/01/1329559401.db2.gz YHUBTIBQPPGCOP-AYHJJNSGSA-N 1 3 333.520 2.939 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001323830777 1329575973 /nfs/dbraw/zinc/57/59/73/1329575973.db2.gz BXWSVUZVYKYAOU-ROUUACIJSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCN(C(=O)CN(C)CC(C)(C)C)C1CC[NH+](CCC(C)C)CC1 ZINC001324420533 1329625570 /nfs/dbraw/zinc/62/55/70/1329625570.db2.gz VFBSKKDLQPYIPI-UHFFFAOYSA-N 1 3 349.563 2.937 10 30 EFEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCCC=C)CC1 ZINC001324440671 1329627810 /nfs/dbraw/zinc/62/78/10/1329627810.db2.gz FBHHOEOIOUWMDE-KDURUIRLSA-N 1 3 345.531 2.752 10 30 EFEEHO CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001325666278 1329705265 /nfs/dbraw/zinc/70/52/65/1329705265.db2.gz UJSQOEZKUCHGJY-UFYCRDLUSA-N 1 3 347.547 2.785 10 30 EFEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001325701682 1329707470 /nfs/dbraw/zinc/70/74/70/1329707470.db2.gz OKSYNFFYDISUPF-LJQANCHMSA-N 1 3 341.499 2.503 10 30 EFEEHO C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001326482511 1329759953 /nfs/dbraw/zinc/75/99/53/1329759953.db2.gz XJYSZCZMVWQUDU-IAGOWNOFSA-N 1 3 329.488 2.871 10 30 EFEEHO C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001327307448 1330457037 /nfs/dbraw/zinc/45/70/37/1330457037.db2.gz CZEGYZNBAWEKPW-MOPGFXCFSA-N 1 3 347.547 2.691 10 30 EFEEHO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001327307448 1330457038 /nfs/dbraw/zinc/45/70/38/1330457038.db2.gz CZEGYZNBAWEKPW-MOPGFXCFSA-N 1 3 347.547 2.691 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001327531812 1330496384 /nfs/dbraw/zinc/49/63/84/1330496384.db2.gz UPQNTACRESHFBT-HXUWFJFHSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001327531812 1330496385 /nfs/dbraw/zinc/49/63/85/1330496385.db2.gz UPQNTACRESHFBT-HXUWFJFHSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001328588875 1330606204 /nfs/dbraw/zinc/60/62/04/1330606204.db2.gz ODHPFJXOXUZZRJ-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001328588875 1330606207 /nfs/dbraw/zinc/60/62/07/1330606207.db2.gz ODHPFJXOXUZZRJ-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001329110838 1330668484 /nfs/dbraw/zinc/66/84/84/1330668484.db2.gz QHYLCOGYQJDUPZ-CVEARBPZSA-N 1 3 349.906 2.516 10 30 EFEEHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC001329167119 1330675571 /nfs/dbraw/zinc/67/55/71/1330675571.db2.gz JXBKDKAMXVQCTR-HZPDHXFCSA-N 1 3 349.906 2.516 10 30 EFEEHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC001329167119 1330675574 /nfs/dbraw/zinc/67/55/74/1330675574.db2.gz JXBKDKAMXVQCTR-HZPDHXFCSA-N 1 3 349.906 2.516 10 30 EFEEHO C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001330657639 1330764594 /nfs/dbraw/zinc/76/45/94/1330764594.db2.gz ZWMHZIQSBFCPCL-GPMSIDNRSA-N 1 3 339.499 2.650 10 30 EFEEHO C#CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC001331175885 1330802145 /nfs/dbraw/zinc/80/21/45/1330802145.db2.gz DPGYHCMPHCSGKS-WOJBJXKFSA-N 1 3 341.499 2.720 10 30 EFEEHO C=CCCC[C@@H](N)C(=O)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 ZINC001341221425 1332243849 /nfs/dbraw/zinc/24/38/49/1332243849.db2.gz XXONHKCWJHSIKN-SJORKVTESA-N 1 3 343.471 2.514 10 30 EFEEHO C=CCCC[C@@H](N)C(=O)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 ZINC001341221421 1332243871 /nfs/dbraw/zinc/24/38/71/1332243871.db2.gz XXONHKCWJHSIKN-IAGOWNOFSA-N 1 3 343.471 2.514 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001480272686 1333517298 /nfs/dbraw/zinc/51/72/98/1333517298.db2.gz YAMPXVSSUYSYHL-SFFCAUCYSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+](CC/C=C\CC)C2)CC1 ZINC001480272686 1333517304 /nfs/dbraw/zinc/51/73/04/1333517304.db2.gz YAMPXVSSUYSYHL-SFFCAUCYSA-N 1 3 345.531 2.516 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001374178938 1341519121 /nfs/dbraw/zinc/51/91/21/1341519121.db2.gz GTZPBNMJZZSKEH-MRXNPFEDSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001375533246 1342844633 /nfs/dbraw/zinc/84/46/33/1342844633.db2.gz FLQIBVAVEHZDOK-SHTZXODSSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001375533246 1342844637 /nfs/dbraw/zinc/84/46/37/1342844637.db2.gz FLQIBVAVEHZDOK-SHTZXODSSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CNC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001375792657 1343020644 /nfs/dbraw/zinc/02/06/44/1343020644.db2.gz ZIGWHNJIMQWNLF-IAGOWNOFSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CNC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001375792657 1343020648 /nfs/dbraw/zinc/02/06/48/1343020648.db2.gz ZIGWHNJIMQWNLF-IAGOWNOFSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CNC1CC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001380163040 1347542861 /nfs/dbraw/zinc/54/28/61/1347542861.db2.gz LNDWCBQOTBGQLB-UHFFFAOYSA-N 1 3 341.927 2.971 10 30 EFEEHO C=C(Cl)CNC1CC(N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001380163040 1347542862 /nfs/dbraw/zinc/54/28/62/1347542862.db2.gz LNDWCBQOTBGQLB-UHFFFAOYSA-N 1 3 341.927 2.971 10 30 EFEEHO C=C(Cl)CNC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001390148931 1353862966 /nfs/dbraw/zinc/86/29/66/1353862966.db2.gz GUKMWMBRQKVFHK-SJORKVTESA-N 1 3 341.927 2.973 10 30 EFEEHO C=C(Cl)CNC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001390148931 1353862970 /nfs/dbraw/zinc/86/29/70/1353862970.db2.gz GUKMWMBRQKVFHK-SJORKVTESA-N 1 3 341.927 2.973 10 30 EFEEHO C=C(Cl)C[NH2+][C@@H](CCNC(=O)[C@@H]1CCCN1C)Cc1ccccc1 ZINC001403807256 1364961780 /nfs/dbraw/zinc/96/17/80/1364961780.db2.gz TWFJDTSRTPVYJA-ROUUACIJSA-N 1 3 349.906 2.540 10 30 EFEEHO C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@H]1CCCN1C)Cc1ccccc1 ZINC001403807253 1364962060 /nfs/dbraw/zinc/96/20/60/1364962060.db2.gz TWFJDTSRTPVYJA-QZTJIDSGSA-N 1 3 349.906 2.540 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001406043527 1367136222 /nfs/dbraw/zinc/13/62/22/1367136222.db2.gz QVAXBTVLFNFGNN-SJORKVTESA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001406043527 1367136228 /nfs/dbraw/zinc/13/62/28/1367136228.db2.gz QVAXBTVLFNFGNN-SJORKVTESA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CNCC1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001422276742 1379892027 /nfs/dbraw/zinc/89/20/27/1379892027.db2.gz BJDHROPZYYSYPQ-UHFFFAOYSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CNCC1CC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001422276742 1379892031 /nfs/dbraw/zinc/89/20/31/1379892031.db2.gz BJDHROPZYYSYPQ-UHFFFAOYSA-N 1 3 341.927 2.876 10 30 EFEEHO C=CCCCCC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001506863509 1406367911 /nfs/dbraw/zinc/36/79/11/1406367911.db2.gz ZOKFVFKTLWKLFO-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001506863509 1406367921 /nfs/dbraw/zinc/36/79/21/1406367921.db2.gz ZOKFVFKTLWKLFO-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)C[N@H+]1CCCC2(CN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001506866259 1406374793 /nfs/dbraw/zinc/37/47/93/1406374793.db2.gz TTXFXDXONVIRBF-UHFFFAOYSA-N 1 3 335.536 2.999 10 30 EFEEHO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001506866259 1406374801 /nfs/dbraw/zinc/37/48/01/1406374801.db2.gz TTXFXDXONVIRBF-UHFFFAOYSA-N 1 3 335.536 2.999 10 30 EFEEHO C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC001506869113 1406385206 /nfs/dbraw/zinc/38/52/06/1406385206.db2.gz YQLXULNDUNTLKZ-NRSPTQNISA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC001506869113 1406385212 /nfs/dbraw/zinc/38/52/12/1406385212.db2.gz YQLXULNDUNTLKZ-NRSPTQNISA-N 1 3 347.547 2.996 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001441102469 1391094493 /nfs/dbraw/zinc/09/44/93/1391094493.db2.gz KMYLFIXEVRBTNM-HOTGVXAUSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001441102469 1391094498 /nfs/dbraw/zinc/09/44/98/1391094498.db2.gz KMYLFIXEVRBTNM-HOTGVXAUSA-N 1 3 341.927 2.878 10 30 EFEEHO C=CCC[N@@H+](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001506978474 1406538161 /nfs/dbraw/zinc/53/81/61/1406538161.db2.gz PEVUDNIFLFFMJJ-UHFFFAOYSA-N 1 3 329.488 2.861 10 30 EFEEHO C=CCC[N@H+](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001506978474 1406538164 /nfs/dbraw/zinc/53/81/64/1406538164.db2.gz PEVUDNIFLFFMJJ-UHFFFAOYSA-N 1 3 329.488 2.861 10 30 EFEEHO C=CCC[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001460888032 1396267532 /nfs/dbraw/zinc/26/75/32/1396267532.db2.gz YFWAHXXOIHUYOH-MOPGFXCFSA-N 1 3 329.488 2.836 10 30 EFEEHO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001460888032 1396267537 /nfs/dbraw/zinc/26/75/37/1396267537.db2.gz YFWAHXXOIHUYOH-MOPGFXCFSA-N 1 3 329.488 2.836 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001507296584 1406861619 /nfs/dbraw/zinc/86/16/19/1406861619.db2.gz JQDCOMCAQPVICL-QFBILLFUSA-N 1 3 329.488 2.907 10 30 EFEEHO C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001479833807 1397928785 /nfs/dbraw/zinc/92/87/85/1397928785.db2.gz LMWAJAQXLJXQKV-APWZRJJASA-N 1 3 329.488 2.907 10 30 EFEEHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001480158423 1398132922 /nfs/dbraw/zinc/13/29/22/1398132922.db2.gz PHMSNZSCMDOPKL-YKTARERQSA-N 1 3 339.499 2.790 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001480367406 1398181297 /nfs/dbraw/zinc/18/12/97/1398181297.db2.gz JGFMISBOTMZFTP-LJQANCHMSA-N 1 3 329.488 2.909 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001493904412 1398969968 /nfs/dbraw/zinc/96/99/68/1398969968.db2.gz HEPNZFDFKGLBSD-RBUKOAKNSA-N 1 3 329.488 2.740 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001507426790 1407041141 /nfs/dbraw/zinc/04/11/41/1407041141.db2.gz HDXXVQUGIVXGCN-LPHOPBHVSA-N 1 3 329.488 2.812 10 30 EFEEHO C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001496288252 1400603450 /nfs/dbraw/zinc/60/34/50/1400603450.db2.gz LQQWSDKAWWSXNL-APWZRJJASA-N 1 3 341.515 2.896 10 30 EFEEHO C#CC[NH2+]C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1CCCCC1 ZINC001496324263 1400640780 /nfs/dbraw/zinc/64/07/80/1400640780.db2.gz DMOKEEXYYAROQK-HXUWFJFHSA-N 1 3 341.499 2.650 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001496573197 1400837537 /nfs/dbraw/zinc/83/75/37/1400837537.db2.gz AXUVILDSQXEHEB-JKSUJKDBSA-N 1 3 329.916 2.590 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001496573197 1400837542 /nfs/dbraw/zinc/83/75/42/1400837542.db2.gz AXUVILDSQXEHEB-JKSUJKDBSA-N 1 3 329.916 2.590 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001496573194 1400838151 /nfs/dbraw/zinc/83/81/51/1400838151.db2.gz AXUVILDSQXEHEB-HZPDHXFCSA-N 1 3 329.916 2.590 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001496573194 1400838159 /nfs/dbraw/zinc/83/81/59/1400838159.db2.gz AXUVILDSQXEHEB-HZPDHXFCSA-N 1 3 329.916 2.590 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC/C=C\CC)CC1 ZINC001496918680 1401101961 /nfs/dbraw/zinc/10/19/61/1401101961.db2.gz QKCWEQXIWBUTDV-SBUVDCAVSA-N 1 3 345.531 2.562 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C(C)(C)C)CC1 ZINC001508039102 1407257625 /nfs/dbraw/zinc/25/76/25/1407257625.db2.gz YDIYYAPSEQQSRF-SFHVURJKSA-N 1 3 349.563 2.888 10 30 EFEEHO C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001501188150 1403483281 /nfs/dbraw/zinc/48/32/81/1403483281.db2.gz CDDVFMUODQEVAP-UFYCRDLUSA-N 1 3 347.547 2.786 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001501618336 1403648941 /nfs/dbraw/zinc/64/89/41/1403648941.db2.gz KJTUIFVPUSOCTI-OAHLLOKOSA-N 1 3 329.916 2.545 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001501651391 1403668601 /nfs/dbraw/zinc/66/86/01/1403668601.db2.gz ONQLYDOHVOXXKX-KRWDZBQOSA-N 1 3 341.927 2.833 10 30 EFEEHO C=CCC[N@H+]1CC=C(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001508220203 1407356885 /nfs/dbraw/zinc/35/68/85/1407356885.db2.gz RNOSAMJCCLDXPK-IBGZPJMESA-N 1 3 337.483 2.523 10 30 EFEEHO C=CCC[N@@H+]1CC=C(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001508220203 1407356889 /nfs/dbraw/zinc/35/68/89/1407356889.db2.gz RNOSAMJCCLDXPK-IBGZPJMESA-N 1 3 337.483 2.523 10 30 EFEEHO C=CCCC[N@H+]1CCc2c(CNC(=O)[C@@H](CC)N(C)C)cccc2C1 ZINC001501854371 1403828104 /nfs/dbraw/zinc/82/81/04/1403828104.db2.gz PVMQFBVADKXAEL-HXUWFJFHSA-N 1 3 343.515 2.967 10 30 EFEEHO C=CCCC[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)N(C)C)cccc2C1 ZINC001501854371 1403828119 /nfs/dbraw/zinc/82/81/19/1403828119.db2.gz PVMQFBVADKXAEL-HXUWFJFHSA-N 1 3 343.515 2.967 10 30 EFEEHO C=C(C)CC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCC1 ZINC001502029198 1403959538 /nfs/dbraw/zinc/95/95/38/1403959538.db2.gz PNWROXAEILZXGU-UHFFFAOYSA-N 1 3 329.488 2.957 10 30 EFEEHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001502545574 1404235962 /nfs/dbraw/zinc/23/59/62/1404235962.db2.gz CYAXYPOEGFNQCW-FQEVSTJZSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001502545574 1404235968 /nfs/dbraw/zinc/23/59/68/1404235968.db2.gz CYAXYPOEGFNQCW-FQEVSTJZSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)CCN1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001503678299 1404497416 /nfs/dbraw/zinc/49/74/16/1404497416.db2.gz OCWQWICVDMVJMV-LJQANCHMSA-N 1 3 329.488 2.620 10 30 EFEEHO C=CCCN1CCc2ccccc2[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001503692848 1404500200 /nfs/dbraw/zinc/50/02/00/1404500200.db2.gz XXFNKDUGYCJGAN-LJQANCHMSA-N 1 3 329.488 2.620 10 30 EFEEHO C=CCCN1CCc2ccccc2[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001503692848 1404500204 /nfs/dbraw/zinc/50/02/04/1404500204.db2.gz XXFNKDUGYCJGAN-LJQANCHMSA-N 1 3 329.488 2.620 10 30 EFEEHO C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001505414559 1404572792 /nfs/dbraw/zinc/57/27/92/1404572792.db2.gz KWQSZKJBNDWZPP-TZIWHRDSSA-N 1 3 341.499 2.809 10 30 EFEEHO CC#CCN1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001506588736 1406014283 /nfs/dbraw/zinc/01/42/83/1406014283.db2.gz ZCJXRAGOPSIZID-LJQANCHMSA-N 1 3 333.520 2.637 10 30 EFEEHO C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](F)CN(CC)CC)C2)CC1 ZINC001565922790 1415154320 /nfs/dbraw/zinc/15/43/20/1415154320.db2.gz STBTUIPEZKVNRZ-IRXDYDNUSA-N 1 3 339.499 2.555 10 30 EFEEHO C=CCN1CCC(N(CCC)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001566697703 1415737709 /nfs/dbraw/zinc/73/77/09/1415737709.db2.gz KJIGNROENZKFKL-MJGOQNOKSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCN1CCC(N(CCC)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001566697703 1415737713 /nfs/dbraw/zinc/73/77/13/1415737713.db2.gz KJIGNROENZKFKL-MJGOQNOKSA-N 1 3 333.520 2.892 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCC(C)C)C2)CC1 ZINC001567178992 1415973738 /nfs/dbraw/zinc/97/37/38/1415973738.db2.gz ULDAIYIKDOETPS-UXHICEINSA-N 1 3 347.547 2.785 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[C@@H]2CCC[N@H+]2C[C@@H](C)CC)CC1 ZINC001567266840 1416046721 /nfs/dbraw/zinc/04/67/21/1416046721.db2.gz OASHUZFJCHXJSW-AZUAARDMSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2C[C@@H](C)CC)CC1 ZINC001567266840 1416046726 /nfs/dbraw/zinc/04/67/26/1416046726.db2.gz OASHUZFJCHXJSW-AZUAARDMSA-N 1 3 347.547 2.739 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001567409390 1416123574 /nfs/dbraw/zinc/12/35/74/1416123574.db2.gz GWPQKKCLRINRPI-LPHOPBHVSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001567409390 1416123579 /nfs/dbraw/zinc/12/35/79/1416123579.db2.gz GWPQKKCLRINRPI-LPHOPBHVSA-N 1 3 339.499 2.603 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CCC)CC2CCCCC2)CC1 ZINC001567433110 1416135494 /nfs/dbraw/zinc/13/54/94/1416135494.db2.gz STXZUTBFDZUVOV-UHFFFAOYSA-N 1 3 347.547 2.740 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@H+](CCC)CC2CCCCC2)CC1 ZINC001567433110 1416135499 /nfs/dbraw/zinc/13/54/99/1416135499.db2.gz STXZUTBFDZUVOV-UHFFFAOYSA-N 1 3 347.547 2.740 10 30 EFEEHO C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001567685207 1416247344 /nfs/dbraw/zinc/24/73/44/1416247344.db2.gz BJUBWDYRKBIGGY-MOPGFXCFSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001567685207 1416247345 /nfs/dbraw/zinc/24/73/45/1416247345.db2.gz BJUBWDYRKBIGGY-MOPGFXCFSA-N 1 3 335.536 2.997 10 30 EFEEHO CC#CC[NH2+]C[C@]1(NC(=O)CN(C)CC(C)(C)C)CCCC[C@@H]1C ZINC001568040091 1416371587 /nfs/dbraw/zinc/37/15/87/1416371587.db2.gz JEPWDTGEANYMBN-FXAWDEMLSA-N 1 3 335.536 2.642 10 30 EFEEHO C=CC[N@@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001691751601 1416665235 /nfs/dbraw/zinc/66/52/35/1416665235.db2.gz NHBVKSLGZXPZJI-SFHVURJKSA-N 1 3 327.488 2.602 10 30 EFEEHO C=CC[N@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001691751601 1416665236 /nfs/dbraw/zinc/66/52/36/1416665236.db2.gz NHBVKSLGZXPZJI-SFHVURJKSA-N 1 3 327.488 2.602 10 30 EFEEHO C=C(C)CC[NH+]1CCC(N(CCC)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001690136431 1417162957 /nfs/dbraw/zinc/16/29/57/1417162957.db2.gz MIXSYBQFHMTKJH-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCN1CCC(N(CCC)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001690139005 1417163831 /nfs/dbraw/zinc/16/38/31/1417163831.db2.gz XILZQIGRBOINDW-UHFFFAOYSA-N 1 3 347.547 2.997 10 30 EFEEHO CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001692329819 1417278397 /nfs/dbraw/zinc/27/83/97/1417278397.db2.gz NVSHXSBVFCPTQB-RBUKOAKNSA-N 1 3 333.520 2.633 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1CC ZINC001699930357 1417510877 /nfs/dbraw/zinc/51/08/77/1417510877.db2.gz KNGVTCPUHLYDFF-FQEVSTJZSA-N 1 3 343.515 2.914 10 30 EFEEHO C=C(Cl)CNCCC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001700709777 1417625261 /nfs/dbraw/zinc/62/52/61/1417625261.db2.gz VTMKNFCVWODEPW-MSOLQXFVSA-N 1 3 349.906 2.918 10 30 EFEEHO C=C(Cl)CNCCC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001700709777 1417625276 /nfs/dbraw/zinc/62/52/76/1417625276.db2.gz VTMKNFCVWODEPW-MSOLQXFVSA-N 1 3 349.906 2.918 10 30 EFEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001713435834 1418528922 /nfs/dbraw/zinc/52/89/22/1418528922.db2.gz YWCISFKRIZRAIM-MRXNPFEDSA-N 1 3 339.911 2.728 10 30 EFEEHO C=C(C)CC[NH2+]Cc1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001714320040 1418600220 /nfs/dbraw/zinc/60/02/20/1418600220.db2.gz CFFQHGBAKSQXLN-UHFFFAOYSA-N 1 3 329.488 2.843 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001716734591 1418983573 /nfs/dbraw/zinc/98/35/73/1418983573.db2.gz CGTNRIUQYQSQFP-FPOVZHCZSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001716734591 1418983577 /nfs/dbraw/zinc/98/35/77/1418983577.db2.gz CGTNRIUQYQSQFP-FPOVZHCZSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001716734590 1418983790 /nfs/dbraw/zinc/98/37/90/1418983790.db2.gz CGTNRIUQYQSQFP-CTNGQTDRSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001716734590 1418983791 /nfs/dbraw/zinc/98/37/91/1418983791.db2.gz CGTNRIUQYQSQFP-CTNGQTDRSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001716784324 1419006781 /nfs/dbraw/zinc/00/67/81/1419006781.db2.gz QZOPMRJIVQIKRH-QFBILLFUSA-N 1 3 339.499 2.746 10 30 EFEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001717115864 1419219844 /nfs/dbraw/zinc/21/98/44/1419219844.db2.gz PIVJJIZTQMWBRA-PXNSSMCTSA-N 1 3 341.499 2.709 10 30 EFEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)cc1 ZINC001717115864 1419219848 /nfs/dbraw/zinc/21/98/48/1419219848.db2.gz PIVJJIZTQMWBRA-PXNSSMCTSA-N 1 3 341.499 2.709 10 30 EFEEHO CCCCCCC[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001717128759 1419227828 /nfs/dbraw/zinc/22/78/28/1419227828.db2.gz LWMNZAJYXLNASF-UHFFFAOYSA-N 1 3 332.492 2.847 10 30 EFEEHO C=CCCCN1Cc2ccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001717270893 1419300581 /nfs/dbraw/zinc/30/05/81/1419300581.db2.gz PCRIMGHCDILTRL-SFHVURJKSA-N 1 3 341.499 2.926 10 30 EFEEHO C=CCCCN1Cc2ccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001717270893 1419300586 /nfs/dbraw/zinc/30/05/86/1419300586.db2.gz PCRIMGHCDILTRL-SFHVURJKSA-N 1 3 341.499 2.926 10 30 EFEEHO CC#CC[N@@H+](CC)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001717357000 1419351485 /nfs/dbraw/zinc/35/14/85/1419351485.db2.gz UAEWKXCHTBOCHO-UHFFFAOYSA-N 1 3 335.536 2.548 10 30 EFEEHO CC#CC[N@H+](CC)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001717357000 1419351489 /nfs/dbraw/zinc/35/14/89/1419351489.db2.gz UAEWKXCHTBOCHO-UHFFFAOYSA-N 1 3 335.536 2.548 10 30 EFEEHO C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001717377465 1419368931 /nfs/dbraw/zinc/36/89/31/1419368931.db2.gz CDSUGAXJZPSLJI-WOJBJXKFSA-N 1 3 347.547 2.692 10 30 EFEEHO C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001717377465 1419368933 /nfs/dbraw/zinc/36/89/33/1419368933.db2.gz CDSUGAXJZPSLJI-WOJBJXKFSA-N 1 3 347.547 2.692 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]CC=C(C)C)CCCCC2)CC1 ZINC001717528161 1419429091 /nfs/dbraw/zinc/42/90/91/1419429091.db2.gz OIUDAOAPSRJPHO-UHFFFAOYSA-N 1 3 345.531 2.707 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001717629823 1419478358 /nfs/dbraw/zinc/47/83/58/1419478358.db2.gz XOQCUXFTANUTQK-ROUUACIJSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001717629823 1419478361 /nfs/dbraw/zinc/47/83/61/1419478361.db2.gz XOQCUXFTANUTQK-ROUUACIJSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001717684399 1419504764 /nfs/dbraw/zinc/50/47/64/1419504764.db2.gz LXEBHTALTFUELA-QAPCUYQASA-N 1 3 327.488 2.650 10 30 EFEEHO C=CCN(C)CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001717948088 1419624277 /nfs/dbraw/zinc/62/42/77/1419624277.db2.gz FHOZWCQKJNWYEZ-GOSISDBHSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCN(C)CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001717948088 1419624280 /nfs/dbraw/zinc/62/42/80/1419624280.db2.gz FHOZWCQKJNWYEZ-GOSISDBHSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCC(C)C)CC1 ZINC001722955864 1424384647 /nfs/dbraw/zinc/38/46/47/1424384647.db2.gz HISJDXNOXJEEHZ-WOJBJXKFSA-N 1 3 347.547 2.642 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCC(=C)C)CC1 ZINC001722958054 1424387226 /nfs/dbraw/zinc/38/72/26/1424387226.db2.gz UQYYGBRUFOMNSR-WOJBJXKFSA-N 1 3 345.531 2.562 10 30 EFEEHO C=C(Cl)CNCCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001723204048 1424451672 /nfs/dbraw/zinc/45/16/72/1424451672.db2.gz NQRRKQCAXYXZJK-MRXNPFEDSA-N 1 3 329.916 2.688 10 30 EFEEHO C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001723608896 1424534155 /nfs/dbraw/zinc/53/41/55/1424534155.db2.gz SQRRVWUMZXSBRD-RTBURBONSA-N 1 3 347.547 2.691 10 30 EFEEHO C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001723608896 1424534160 /nfs/dbraw/zinc/53/41/60/1424534160.db2.gz SQRRVWUMZXSBRD-RTBURBONSA-N 1 3 347.547 2.691 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001723610578 1424536504 /nfs/dbraw/zinc/53/65/04/1424536504.db2.gz ZWWIRBYPYPBTRE-MOPGFXCFSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001723610578 1424536511 /nfs/dbraw/zinc/53/65/11/1424536511.db2.gz ZWWIRBYPYPBTRE-MOPGFXCFSA-N 1 3 333.520 2.607 10 30 EFEEHO C=C(C)C[N@H+](CCNC(=O)Cc1nc[nH]c1C)C1CCCCCC1 ZINC001723641071 1424544431 /nfs/dbraw/zinc/54/44/31/1424544431.db2.gz XGRWPEYIEXGMES-UHFFFAOYSA-N 1 3 332.492 2.978 10 30 EFEEHO C=C(C)C[N@@H+](CCNC(=O)Cc1nc[nH]c1C)C1CCCCCC1 ZINC001723641071 1424544434 /nfs/dbraw/zinc/54/44/34/1424544434.db2.gz XGRWPEYIEXGMES-UHFFFAOYSA-N 1 3 332.492 2.978 10 30 EFEEHO CC#CCN1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001723690985 1424558067 /nfs/dbraw/zinc/55/80/67/1424558067.db2.gz KUXHTLNQVCNLEU-OAQYLSRUSA-N 1 3 345.531 2.590 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CCCN1C(C)C)C1CC[NH+](CCC(=C)C)CC1 ZINC001724046176 1424634001 /nfs/dbraw/zinc/63/40/01/1424634001.db2.gz CKKSPVZQTPHGEM-FQEVSTJZSA-N 1 3 345.531 2.752 10 30 EFEEHO C#CCN1CCC(C(=O)NCC2(C)CC[NH+](CCC(C)C)CC2)CC1 ZINC001724306898 1424726491 /nfs/dbraw/zinc/72/64/91/1424726491.db2.gz OIDQHSUFGHDOAT-UHFFFAOYSA-N 1 3 347.547 2.596 10 30 EFEEHO CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001724325623 1424736037 /nfs/dbraw/zinc/73/60/37/1424736037.db2.gz ZTXMSBNUPAAQKD-PZJWPPBQSA-N 1 3 345.531 2.635 10 30 EFEEHO CC#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001724325623 1424736041 /nfs/dbraw/zinc/73/60/41/1424736041.db2.gz ZTXMSBNUPAAQKD-PZJWPPBQSA-N 1 3 345.531 2.635 10 30 EFEEHO CC#CCN1CCC[C@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724343645 1424742588 /nfs/dbraw/zinc/74/25/88/1424742588.db2.gz OCHMTSODNQXONU-OAQYLSRUSA-N 1 3 341.499 2.603 10 30 EFEEHO C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001724564994 1424799387 /nfs/dbraw/zinc/79/93/87/1424799387.db2.gz WFCWMMCCDAXZRY-APWZRJJASA-N 1 3 329.488 2.765 10 30 EFEEHO C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001724856042 1425073232 /nfs/dbraw/zinc/07/32/32/1425073232.db2.gz QIVDHVAAIZNTBT-IBGZPJMESA-N 1 3 341.515 2.945 10 30 EFEEHO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001724856042 1425073239 /nfs/dbraw/zinc/07/32/39/1425073239.db2.gz QIVDHVAAIZNTBT-IBGZPJMESA-N 1 3 341.515 2.945 10 30 EFEEHO C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](CC)N(C)C)cc2C1 ZINC001724922727 1425133966 /nfs/dbraw/zinc/13/39/66/1425133966.db2.gz HTWQADNDELRUDI-LJQANCHMSA-N 1 3 329.488 2.925 10 30 EFEEHO C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](CC)N(C)C)cc2C1 ZINC001724922727 1425133973 /nfs/dbraw/zinc/13/39/73/1425133973.db2.gz HTWQADNDELRUDI-LJQANCHMSA-N 1 3 329.488 2.925 10 30 EFEEHO C=CCCN1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+](C)C ZINC001725011176 1425223373 /nfs/dbraw/zinc/22/33/73/1425223373.db2.gz BUJNVVZLMRNWLA-LJQANCHMSA-N 1 3 329.488 2.620 10 30 EFEEHO C=CC[NH2+][C@H](CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001725213027 1425381934 /nfs/dbraw/zinc/38/19/34/1425381934.db2.gz IHMBCNVHUQOWKF-APWZRJJASA-N 1 3 341.515 2.848 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001725290015 1425444302 /nfs/dbraw/zinc/44/43/02/1425444302.db2.gz NVJHZARBYNAXHP-DLBZAZTESA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001725290015 1425444303 /nfs/dbraw/zinc/44/43/03/1425444303.db2.gz NVJHZARBYNAXHP-DLBZAZTESA-N 1 3 333.520 2.796 10 30 EFEEHO C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001725417458 1425561459 /nfs/dbraw/zinc/56/14/59/1425561459.db2.gz PELMCXUSLOZVNW-WMLDXEAASA-N 1 3 347.906 2.826 10 30 EFEEHO C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001725417452 1425562123 /nfs/dbraw/zinc/56/21/23/1425562123.db2.gz PELMCXUSLOZVNW-RHSMWYFYSA-N 1 3 347.906 2.826 10 30 EFEEHO C=CCC[N@@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001725424297 1425569415 /nfs/dbraw/zinc/56/94/15/1425569415.db2.gz KKMHIRZPHPXILA-LJQANCHMSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCC[N@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001725424297 1425569420 /nfs/dbraw/zinc/56/94/20/1425569420.db2.gz KKMHIRZPHPXILA-LJQANCHMSA-N 1 3 339.499 2.698 10 30 EFEEHO C=C(C)C[NH2+][C@H](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001725445575 1425586925 /nfs/dbraw/zinc/58/69/25/1425586925.db2.gz UJSKUXAJTFHPGQ-VQIMIIECSA-N 1 3 341.515 2.896 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001725817905 1425877119 /nfs/dbraw/zinc/87/71/19/1425877119.db2.gz YZHVJSNFZAIEJQ-MJGOQNOKSA-N 1 3 333.520 2.964 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001725817905 1425877122 /nfs/dbraw/zinc/87/71/22/1425877122.db2.gz YZHVJSNFZAIEJQ-MJGOQNOKSA-N 1 3 333.520 2.964 10 30 EFEEHO C=CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC001725832871 1425899951 /nfs/dbraw/zinc/89/99/51/1425899951.db2.gz HISDIASVKNXELU-AEFFLSMTSA-N 1 3 347.478 2.838 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000908210432 727132506 /nfs/dbraw/zinc/13/25/06/727132506.db2.gz AXBRCAVZNJAEAM-IBGZPJMESA-N 1 3 347.503 2.701 10 30 EFEEHO C=CCN1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000940918319 728329382 /nfs/dbraw/zinc/32/93/82/728329382.db2.gz OJKDRNDEOBOVOP-IBGZPJMESA-N 1 3 343.515 2.807 10 30 EFEEHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(Cl)cc(C#N)c1 ZINC000930114153 729133154 /nfs/dbraw/zinc/13/31/54/729133154.db2.gz PKEAXIINECCJPG-UHFFFAOYSA-N 1 3 334.895 2.669 10 30 EFEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001569357793 1085138056 /nfs/dbraw/zinc/13/80/56/1085138056.db2.gz QHTQNIAZZAPTEA-IEBWSBKVSA-N 1 3 333.520 2.798 10 30 EFEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001569357793 1085138063 /nfs/dbraw/zinc/13/80/63/1085138063.db2.gz QHTQNIAZZAPTEA-IEBWSBKVSA-N 1 3 333.520 2.798 10 30 EFEEHO C#CCNC[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC001569598181 1085423784 /nfs/dbraw/zinc/42/37/84/1085423784.db2.gz YBQABORBMPZOLZ-OAQYLSRUSA-N 1 3 349.478 2.562 10 30 EFEEHO C#CCNC[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC001569598180 1085423803 /nfs/dbraw/zinc/42/38/03/1085423803.db2.gz YBQABORBMPZOLZ-NRFANRHFSA-N 1 3 349.478 2.562 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001569648581 1085482347 /nfs/dbraw/zinc/48/23/47/1085482347.db2.gz WXJUMUDXASMEJZ-MOPGFXCFSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001569648581 1085482348 /nfs/dbraw/zinc/48/23/48/1085482348.db2.gz WXJUMUDXASMEJZ-MOPGFXCFSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001569883440 1085716258 /nfs/dbraw/zinc/71/62/58/1085716258.db2.gz BRLFONDCTKBWHX-WTGUMLROSA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001569883440 1085716271 /nfs/dbraw/zinc/71/62/71/1085716271.db2.gz BRLFONDCTKBWHX-WTGUMLROSA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001569883438 1085717185 /nfs/dbraw/zinc/71/71/85/1085717185.db2.gz BRLFONDCTKBWHX-FGYAAKKASA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001569883438 1085717188 /nfs/dbraw/zinc/71/71/88/1085717188.db2.gz BRLFONDCTKBWHX-FGYAAKKASA-N 1 3 347.547 2.996 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCCCC)CC2)CC1 ZINC001570187097 1086033330 /nfs/dbraw/zinc/03/33/30/1086033330.db2.gz GZBVSMWYOOVAPN-HXUWFJFHSA-N 1 3 347.547 2.883 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCCCC)CC2)CC1 ZINC001570187097 1086033339 /nfs/dbraw/zinc/03/33/39/1086033339.db2.gz GZBVSMWYOOVAPN-HXUWFJFHSA-N 1 3 347.547 2.883 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001570275104 1086117271 /nfs/dbraw/zinc/11/72/71/1086117271.db2.gz PHKHBLUIAUMBQR-VQIMIIECSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001570275104 1086117277 /nfs/dbraw/zinc/11/72/77/1086117277.db2.gz PHKHBLUIAUMBQR-VQIMIIECSA-N 1 3 330.476 2.621 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001570550908 1086353281 /nfs/dbraw/zinc/35/32/81/1086353281.db2.gz GZNZMJPBFXYUHU-OALUTQOASA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001570550908 1086353295 /nfs/dbraw/zinc/35/32/95/1086353295.db2.gz GZNZMJPBFXYUHU-OALUTQOASA-N 1 3 335.536 2.855 10 30 EFEEHO CC#CC[NH2+]CCC[C@@H](NC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001571347344 1086745623 /nfs/dbraw/zinc/74/56/23/1086745623.db2.gz RGVCZGXRECYWGG-AZUAARDMSA-N 1 3 341.499 2.579 10 30 EFEEHO C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001649459532 1092491432 /nfs/dbraw/zinc/49/14/32/1092491432.db2.gz OJMITNMTOSKHIZ-LJQANCHMSA-N 1 3 339.499 2.746 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)CCC[NH2+]CC2CCCCC2)CC1 ZINC001649469250 1092509626 /nfs/dbraw/zinc/50/96/26/1092509626.db2.gz FHRLYHILHKRAAL-GOSISDBHSA-N 1 3 347.547 2.786 10 30 EFEEHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1)N(C)C ZINC001267151892 1092928823 /nfs/dbraw/zinc/92/88/23/1092928823.db2.gz FKTSFNLVJOWQCF-YJBOKZPZSA-N 1 3 349.906 2.516 10 30 EFEEHO C=C(C)CN(CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001267325521 1093581918 /nfs/dbraw/zinc/58/19/18/1093581918.db2.gz JPFQIQCNRGJNAT-QGZVFWFLSA-N 1 3 333.520 2.798 10 30 EFEEHO C=C(C)CN(CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001267325521 1093581927 /nfs/dbraw/zinc/58/19/27/1093581927.db2.gz JPFQIQCNRGJNAT-QGZVFWFLSA-N 1 3 333.520 2.798 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@@H]2CC[N@@H+]([C@H](C)CCC=C)C2)CC1 ZINC001267572116 1095711703 /nfs/dbraw/zinc/71/17/03/1095711703.db2.gz WRCYPSOOEDXIQS-RTBURBONSA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@@H]2CC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001267572116 1095711714 /nfs/dbraw/zinc/71/17/14/1095711714.db2.gz WRCYPSOOEDXIQS-RTBURBONSA-N 1 3 345.531 2.515 10 30 EFEEHO C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267588530 1096009888 /nfs/dbraw/zinc/00/98/88/1096009888.db2.gz CLJRBISACUQXRT-VQIMIIECSA-N 1 3 339.499 2.555 10 30 EFEEHO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267588530 1096009898 /nfs/dbraw/zinc/00/98/98/1096009898.db2.gz CLJRBISACUQXRT-VQIMIIECSA-N 1 3 339.499 2.555 10 30 EFEEHO C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001268198490 1096079171 /nfs/dbraw/zinc/07/91/71/1096079171.db2.gz RSTYARCWCXHHCH-LPHOPBHVSA-N 1 3 329.488 2.765 10 30 EFEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001268378172 1096434025 /nfs/dbraw/zinc/43/40/25/1096434025.db2.gz RVWOHGRYLWCBFC-CQSZACIVSA-N 1 3 329.916 2.876 10 30 EFEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001268378172 1096434030 /nfs/dbraw/zinc/43/40/30/1096434030.db2.gz RVWOHGRYLWCBFC-CQSZACIVSA-N 1 3 329.916 2.876 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]CCCCC)CCCC2)CC1 ZINC001481912522 1096914680 /nfs/dbraw/zinc/91/46/80/1096914680.db2.gz DBJOTJRQLJHERS-UHFFFAOYSA-N 1 3 333.520 2.540 10 30 EFEEHO C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001481938544 1096968805 /nfs/dbraw/zinc/96/88/05/1096968805.db2.gz BXWNQTFFPARSAD-YJBOKZPZSA-N 1 3 341.927 2.735 10 30 EFEEHO C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001481938544 1096968807 /nfs/dbraw/zinc/96/88/07/1096968807.db2.gz BXWNQTFFPARSAD-YJBOKZPZSA-N 1 3 341.927 2.735 10 30 EFEEHO CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001269553592 1098243287 /nfs/dbraw/zinc/24/32/87/1098243287.db2.gz WIRQXZKDDKANAJ-LJQANCHMSA-N 1 3 347.547 2.548 10 30 EFEEHO CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001269553592 1098243291 /nfs/dbraw/zinc/24/32/91/1098243291.db2.gz WIRQXZKDDKANAJ-LJQANCHMSA-N 1 3 347.547 2.548 10 30 EFEEHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1 ZINC001267940111 1098758915 /nfs/dbraw/zinc/75/89/15/1098758915.db2.gz DESSGPAWNRCCDW-IRXDYDNUSA-N 1 3 329.488 2.841 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CCN(CC(=C)C)CC1 ZINC001270321685 1098954884 /nfs/dbraw/zinc/95/48/84/1098954884.db2.gz ZENFGSLDNQVKAO-ICSRJNTNSA-N 1 3 343.515 2.506 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CCN(CC(=C)C)CC1 ZINC001270321685 1098954890 /nfs/dbraw/zinc/95/48/90/1098954890.db2.gz ZENFGSLDNQVKAO-ICSRJNTNSA-N 1 3 343.515 2.506 10 30 EFEEHO C#CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CCN(CC(=C)C)CC1 ZINC001270321687 1098955844 /nfs/dbraw/zinc/95/58/44/1098955844.db2.gz ZENFGSLDNQVKAO-UYAOXDASSA-N 1 3 343.515 2.506 10 30 EFEEHO C#CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CCN(CC(=C)C)CC1 ZINC001270321687 1098955847 /nfs/dbraw/zinc/95/58/47/1098955847.db2.gz ZENFGSLDNQVKAO-UYAOXDASSA-N 1 3 343.515 2.506 10 30 EFEEHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001270345578 1098988971 /nfs/dbraw/zinc/98/89/71/1098988971.db2.gz HHYYGPZLZYPPDT-FQEVSTJZSA-N 1 3 347.547 2.833 10 30 EFEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001270358375 1099002169 /nfs/dbraw/zinc/00/21/69/1099002169.db2.gz HHYYGPZLZYPPDT-HXUWFJFHSA-N 1 3 347.547 2.833 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]C[C@H](C)CC)C2CCCC2)CC1 ZINC001270459024 1099111786 /nfs/dbraw/zinc/11/17/86/1099111786.db2.gz YJGFEUVJCAJPDL-YLJYHZDGSA-N 1 3 347.547 2.642 10 30 EFEEHO C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001270513004 1099164594 /nfs/dbraw/zinc/16/45/94/1099164594.db2.gz MSTOMXKSNAYVBO-CTNGQTDRSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001270513004 1099164595 /nfs/dbraw/zinc/16/45/95/1099164595.db2.gz MSTOMXKSNAYVBO-CTNGQTDRSA-N 1 3 347.547 2.999 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](CCCCCC=C)C2)CC1 ZINC001270660242 1099387345 /nfs/dbraw/zinc/38/73/45/1099387345.db2.gz ZERPBZRGGUMPQA-OAQYLSRUSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCCCCC=C)C2)CC1 ZINC001270660242 1099387355 /nfs/dbraw/zinc/38/73/55/1099387355.db2.gz ZERPBZRGGUMPQA-OAQYLSRUSA-N 1 3 345.531 2.659 10 30 EFEEHO CC[C@H](C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1)[NH+](CC)CC ZINC001482330865 1099632384 /nfs/dbraw/zinc/63/23/84/1099632384.db2.gz NCUADQGQCHZGBU-UYAOXDASSA-N 1 3 343.515 2.595 10 30 EFEEHO C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001270869791 1099918694 /nfs/dbraw/zinc/91/86/94/1099918694.db2.gz DQUVXLWLFJEPIG-SFHVURJKSA-N 1 3 333.520 2.751 10 30 EFEEHO C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001271438809 1101686270 /nfs/dbraw/zinc/68/62/70/1101686270.db2.gz PHDAIHXZEPRGPI-IBGZPJMESA-N 1 3 335.536 2.853 10 30 EFEEHO C#CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001656447442 1102089609 /nfs/dbraw/zinc/08/96/09/1102089609.db2.gz HPSDZFRKQVAJGR-QZTJIDSGSA-N 1 3 335.536 2.594 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001271608470 1102172024 /nfs/dbraw/zinc/17/20/24/1102172024.db2.gz JWGFXRULPNASSY-KRWDZBQOSA-N 1 3 341.927 2.976 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001656813830 1102212537 /nfs/dbraw/zinc/21/25/37/1102212537.db2.gz NFZBOLKWADVWAM-MOPGFXCFSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001656813830 1102212544 /nfs/dbraw/zinc/21/25/44/1102212544.db2.gz NFZBOLKWADVWAM-MOPGFXCFSA-N 1 3 347.547 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001660408376 1102741674 /nfs/dbraw/zinc/74/16/74/1102741674.db2.gz FPRCKCLXOJSGGZ-SFHVURJKSA-N 1 3 341.499 2.531 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001660408376 1102741687 /nfs/dbraw/zinc/74/16/87/1102741687.db2.gz FPRCKCLXOJSGGZ-SFHVURJKSA-N 1 3 341.499 2.531 10 30 EFEEHO CCCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001271893000 1102982691 /nfs/dbraw/zinc/98/26/91/1102982691.db2.gz YUEGPGDSEXSVAO-CEXWTWQISA-N 1 3 337.552 2.933 10 30 EFEEHO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001271893000 1102982696 /nfs/dbraw/zinc/98/26/96/1102982696.db2.gz YUEGPGDSEXSVAO-CEXWTWQISA-N 1 3 337.552 2.933 10 30 EFEEHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001661279751 1103219922 /nfs/dbraw/zinc/21/99/22/1103219922.db2.gz ALEOCVWGOVOOKZ-KDURUIRLSA-N 1 3 333.520 2.894 10 30 EFEEHO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](CCC)CCC ZINC001272044570 1104278525 /nfs/dbraw/zinc/27/85/25/1104278525.db2.gz RROGHMFAAURDPR-RBUKOAKNSA-N 1 3 333.520 2.587 10 30 EFEEHO C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](CCC)CCC ZINC001272044564 1104279164 /nfs/dbraw/zinc/27/91/64/1104279164.db2.gz RROGHMFAAURDPR-MOPGFXCFSA-N 1 3 333.520 2.587 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001665362451 1104674999 /nfs/dbraw/zinc/67/49/99/1104674999.db2.gz AHZRHZZRPTYZOE-MRXNPFEDSA-N 1 3 329.488 2.765 10 30 EFEEHO C=CCCC[N@@H+](C)CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001482628277 1104687803 /nfs/dbraw/zinc/68/78/03/1104687803.db2.gz LODLQWHTAQKJFY-GOSISDBHSA-N 1 3 327.488 2.555 10 30 EFEEHO C=CCCC[N@H+](C)CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001482628277 1104687804 /nfs/dbraw/zinc/68/78/04/1104687804.db2.gz LODLQWHTAQKJFY-GOSISDBHSA-N 1 3 327.488 2.555 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CCCCCC)CC2)CC1 ZINC001666323589 1104925840 /nfs/dbraw/zinc/92/58/40/1104925840.db2.gz UMVKSXCYWVFDBS-MXVIHJGJSA-N 1 3 347.547 2.929 10 30 EFEEHO C=C(C)CC[NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)C1CCCCC1 ZINC001667151580 1105063586 /nfs/dbraw/zinc/06/35/86/1105063586.db2.gz OZVFWMSBDHTDMI-SFHVURJKSA-N 1 3 332.492 2.882 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001669930030 1105546994 /nfs/dbraw/zinc/54/69/94/1105546994.db2.gz HICYABLJAJVGDU-QZTJIDSGSA-N 1 3 341.499 2.529 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001669930030 1105546999 /nfs/dbraw/zinc/54/69/99/1105546999.db2.gz HICYABLJAJVGDU-QZTJIDSGSA-N 1 3 341.499 2.529 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCCC=C)CC1 ZINC001669987207 1105565529 /nfs/dbraw/zinc/56/55/29/1105565529.db2.gz YDWXVQQWQAEFDJ-UXHICEINSA-N 1 3 345.531 2.562 10 30 EFEEHO C#CCN(C(=O)CN(C)CC(C)(C)C)C1CC[NH+](CCC(=C)C)CC1 ZINC001671492259 1105644914 /nfs/dbraw/zinc/64/49/14/1105644914.db2.gz UUABHZYBNQHSFJ-UHFFFAOYSA-N 1 3 347.547 2.857 10 30 EFEEHO C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001672170786 1105765079 /nfs/dbraw/zinc/76/50/79/1105765079.db2.gz KKCGZNOCIFCWTE-LJQANCHMSA-N 1 3 347.547 2.548 10 30 EFEEHO C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001672531010 1105858511 /nfs/dbraw/zinc/85/85/11/1105858511.db2.gz PEPBVDVCACDXGX-ROUUACIJSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC001672929565 1105941342 /nfs/dbraw/zinc/94/13/42/1105941342.db2.gz MGCAGAJSPXTRQA-UHFFFAOYSA-N 1 3 329.488 2.653 10 30 EFEEHO C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001672943938 1105946450 /nfs/dbraw/zinc/94/64/50/1105946450.db2.gz UMDZYEROORSCRQ-IRXDYDNUSA-N 1 3 329.488 2.871 10 30 EFEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001672947408 1105947241 /nfs/dbraw/zinc/94/72/41/1105947241.db2.gz HZNQREDKQBHNEW-SFHVURJKSA-N 1 3 341.499 2.853 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)C2C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001675363509 1106347364 /nfs/dbraw/zinc/34/73/64/1106347364.db2.gz KDMDBPATAUPDSW-KRWDZBQOSA-N 1 3 347.547 2.594 10 30 EFEEHO C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC001675688070 1106411258 /nfs/dbraw/zinc/41/12/58/1106411258.db2.gz JPVLGTHEXBQJLI-YSIASYRMSA-N 1 3 335.536 2.709 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC001675688070 1106411261 /nfs/dbraw/zinc/41/12/61/1106411261.db2.gz JPVLGTHEXBQJLI-YSIASYRMSA-N 1 3 335.536 2.709 10 30 EFEEHO C#CC[NH2+]CCC[C@H](NC(=O)C(C)(C)N1CCCC1)c1ccccc1 ZINC001676144163 1106491630 /nfs/dbraw/zinc/49/16/30/1106491630.db2.gz KLDYGWOQKAAWCX-IBGZPJMESA-N 1 3 341.499 2.721 10 30 EFEEHO C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001676249113 1106505814 /nfs/dbraw/zinc/50/58/14/1106505814.db2.gz ILZRRCDAUYFPGU-QFBILLFUSA-N 1 3 339.499 2.602 10 30 EFEEHO C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001677427263 1106716327 /nfs/dbraw/zinc/71/63/27/1106716327.db2.gz KXKVKVLKYQSGAB-RJYAGPCLSA-N 1 3 339.499 2.744 10 30 EFEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001483989508 1112636019 /nfs/dbraw/zinc/63/60/19/1112636019.db2.gz LYUMOMHUJHCZNQ-UHFFFAOYSA-N 1 3 345.531 2.753 10 30 EFEEHO C=CC[NH2+]C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CCCC1 ZINC001484008946 1112657525 /nfs/dbraw/zinc/65/75/25/1112657525.db2.gz IRQZBSXJTGTEJI-QFBILLFUSA-N 1 3 339.499 2.650 10 30 EFEEHO C=CC[NH2+]C[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CCCC1 ZINC001484008944 1112657711 /nfs/dbraw/zinc/65/77/11/1112657711.db2.gz IRQZBSXJTGTEJI-APWZRJJASA-N 1 3 339.499 2.650 10 30 EFEEHO C=CC[NH2+]C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1CCCC1 ZINC001484014160 1112663807 /nfs/dbraw/zinc/66/38/07/1112663807.db2.gz JAGLFQLFWZXERI-IBGZPJMESA-N 1 3 329.488 2.812 10 30 EFEEHO CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001484022941 1112676483 /nfs/dbraw/zinc/67/64/83/1112676483.db2.gz RRRINYZHNXPKKU-TZIWHRDSSA-N 1 3 347.547 2.835 10 30 EFEEHO C=CCC[NH2+]CC[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001484552045 1113004847 /nfs/dbraw/zinc/00/48/47/1113004847.db2.gz UVEACRHQGOGWPD-KRWDZBQOSA-N 1 3 329.488 2.766 10 30 EFEEHO C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001484558487 1113012271 /nfs/dbraw/zinc/01/22/71/1113012271.db2.gz HHXFOPGULYGEGI-YLJYHZDGSA-N 1 3 341.499 2.850 10 30 EFEEHO C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001484562811 1113024248 /nfs/dbraw/zinc/02/42/48/1113024248.db2.gz GVKOFQNDDYKMEX-XLIONFOSSA-N 1 3 341.499 2.851 10 30 EFEEHO C=C(C)C[N@H+]1CCc2c(CNC(=O)[C@H](CC)N(C)C)cccc2C1 ZINC001484611994 1113053153 /nfs/dbraw/zinc/05/31/53/1113053153.db2.gz AWRAXBBUWQMDGX-IBGZPJMESA-N 1 3 329.488 2.577 10 30 EFEEHO C=C(C)C[N@@H+]1CCc2c(CNC(=O)[C@H](CC)N(C)C)cccc2C1 ZINC001484611994 1113053156 /nfs/dbraw/zinc/05/31/56/1113053156.db2.gz AWRAXBBUWQMDGX-IBGZPJMESA-N 1 3 329.488 2.577 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001485029194 1117954191 /nfs/dbraw/zinc/95/41/91/1117954191.db2.gz KHWFGTITDHXNLD-MJGOQNOKSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001485029194 1117954193 /nfs/dbraw/zinc/95/41/93/1117954193.db2.gz KHWFGTITDHXNLD-MJGOQNOKSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001485029195 1117954394 /nfs/dbraw/zinc/95/43/94/1117954394.db2.gz KHWFGTITDHXNLD-PKOBYXMFSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001485029195 1117954397 /nfs/dbraw/zinc/95/43/97/1117954397.db2.gz KHWFGTITDHXNLD-PKOBYXMFSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001485085298 1118024942 /nfs/dbraw/zinc/02/49/42/1118024942.db2.gz ZQVZJVLJUXTQHX-OALUTQOASA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001485085298 1118024946 /nfs/dbraw/zinc/02/49/46/1118024946.db2.gz ZQVZJVLJUXTQHX-OALUTQOASA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001485239096 1118170972 /nfs/dbraw/zinc/17/09/72/1118170972.db2.gz ZFOBHUQFIUCTNV-GPANFISMSA-N 1 3 347.906 2.778 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001485617823 1118482270 /nfs/dbraw/zinc/48/22/70/1118482270.db2.gz AQTLVOHQCVWTKW-CADBVGFASA-N 1 3 333.520 2.511 10 30 EFEEHO C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001485617823 1118482272 /nfs/dbraw/zinc/48/22/72/1118482272.db2.gz AQTLVOHQCVWTKW-CADBVGFASA-N 1 3 333.520 2.511 10 30 EFEEHO C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001485768412 1118581131 /nfs/dbraw/zinc/58/11/31/1118581131.db2.gz NQSWCCJQWMWSIW-OALUTQOASA-N 1 3 341.499 2.501 10 30 EFEEHO N#Cc1ccc(C2(NCc3ccc4c(c3)C[NH2+]CC4)CCOCC2)cc1 ZINC000530234689 268212169 /nfs/dbraw/zinc/21/21/69/268212169.db2.gz SPQKTEZHGHUOJV-UHFFFAOYSA-N 1 3 347.462 2.999 10 30 EFEEHO C=CC[C@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000625701607 480016223 /nfs/dbraw/zinc/01/62/23/480016223.db2.gz AOQNBSVXIKPJKY-IBGZPJMESA-N 1 3 341.499 2.797 10 30 EFEEHO CC1CC[NH+](CCCCNCc2cnc3ccc(C#N)cn23)CC1 ZINC000123315056 473126679 /nfs/dbraw/zinc/12/66/79/473126679.db2.gz PZINJJVIFCBAMO-UHFFFAOYSA-N 1 3 325.460 2.808 10 30 EFEEHO CN1CCC(C[NH2+]Cc2ccc(C#N)cc2)(N2CCCCC2)CC1 ZINC000174581768 474067302 /nfs/dbraw/zinc/06/73/02/474067302.db2.gz UTRNMSXGYUJGLB-UHFFFAOYSA-N 1 3 326.488 2.598 10 30 EFEEHO CN(CC#Cc1ccccc1Cl)CCN(C)C1CC[NH+](C)CC1 ZINC000341134227 475012723 /nfs/dbraw/zinc/01/27/23/475012723.db2.gz IRLSBYRMFIUOHK-UHFFFAOYSA-N 1 3 333.907 2.649 10 30 EFEEHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358575573 475782052 /nfs/dbraw/zinc/78/20/52/475782052.db2.gz SYJAJYCDEWQYLX-CVEARBPZSA-N 1 3 332.467 2.622 10 30 EFEEHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349690464 475986022 /nfs/dbraw/zinc/98/60/22/475986022.db2.gz GEEOMVMCXUAIFE-JTDSTZFVSA-N 1 3 338.455 2.620 10 30 EFEEHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349690464 475986028 /nfs/dbraw/zinc/98/60/28/475986028.db2.gz GEEOMVMCXUAIFE-JTDSTZFVSA-N 1 3 338.455 2.620 10 30 EFEEHO C=C(C)C[NH+]1CCC(NCc2cn(-c3ccncc3)nc2C)CC1 ZINC000344079182 476156035 /nfs/dbraw/zinc/15/60/35/476156035.db2.gz ZFGDWLULZAIMFH-UHFFFAOYSA-N 1 3 325.460 2.706 10 30 EFEEHO C=C(C)CN1CCC([NH2+]Cc2cn(-c3ccncc3)nc2C)CC1 ZINC000344079182 476156046 /nfs/dbraw/zinc/15/60/46/476156046.db2.gz ZFGDWLULZAIMFH-UHFFFAOYSA-N 1 3 325.460 2.706 10 30 EFEEHO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000354026425 476374868 /nfs/dbraw/zinc/37/48/68/476374868.db2.gz SUHBYKMIAWFZFO-UYAOXDASSA-N 1 3 343.515 2.709 10 30 EFEEHO C=CCOc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000354026425 476374874 /nfs/dbraw/zinc/37/48/74/476374874.db2.gz SUHBYKMIAWFZFO-UYAOXDASSA-N 1 3 343.515 2.709 10 30 EFEEHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594437058 478387511 /nfs/dbraw/zinc/38/75/11/478387511.db2.gz HWGCDTMGPJODPJ-DOTOQJQBSA-N 1 3 330.476 2.643 10 30 EFEEHO N#CCCCC[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000594440464 478388745 /nfs/dbraw/zinc/38/87/45/478388745.db2.gz CSTIRIBVLQNQLU-GOSISDBHSA-N 1 3 328.460 2.675 10 30 EFEEHO N#CCCCC[C@@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000594440823 478389342 /nfs/dbraw/zinc/38/93/42/478389342.db2.gz CNNUDKNVGGYLJT-CYBMUJFWSA-N 1 3 328.338 2.514 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527731864 478495985 /nfs/dbraw/zinc/49/59/85/478495985.db2.gz XTMWLYRGJDWKRK-LJQANCHMSA-N 1 3 348.535 2.733 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527731864 478495993 /nfs/dbraw/zinc/49/59/93/478495993.db2.gz XTMWLYRGJDWKRK-LJQANCHMSA-N 1 3 348.535 2.733 10 30 EFEEHO Cc1cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ccc1C#N ZINC000594975862 478615513 /nfs/dbraw/zinc/61/55/13/478615513.db2.gz WCTBZGJFJXXVFJ-NRFANRHFSA-N 1 3 335.451 2.723 10 30 EFEEHO Cc1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1C#N ZINC000594975862 478615522 /nfs/dbraw/zinc/61/55/22/478615522.db2.gz WCTBZGJFJXXVFJ-NRFANRHFSA-N 1 3 335.451 2.723 10 30 EFEEHO CC1(C#N)CCC([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000594976311 478615658 /nfs/dbraw/zinc/61/56/58/478615658.db2.gz ZSNOORSPBFBWFD-GPJFCIFZSA-N 1 3 327.472 2.815 10 30 EFEEHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405542 479286285 /nfs/dbraw/zinc/28/62/85/479286285.db2.gz YOAGXXIGODPVRC-IRXDYDNUSA-N 1 3 347.528 2.865 10 30 EFEEHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405542 479286288 /nfs/dbraw/zinc/28/62/88/479286288.db2.gz YOAGXXIGODPVRC-IRXDYDNUSA-N 1 3 347.528 2.865 10 30 EFEEHO CN(C)CCC[N@H+](C)CCNc1ccc(Br)cc1C#N ZINC000596425580 479290738 /nfs/dbraw/zinc/29/07/38/479290738.db2.gz REMIYQXUMAYBGP-UHFFFAOYSA-N 1 3 339.281 2.616 10 30 EFEEHO CN(C)CCC[N@@H+](C)CCNc1ccc(Br)cc1C#N ZINC000596425580 479290742 /nfs/dbraw/zinc/29/07/42/479290742.db2.gz REMIYQXUMAYBGP-UHFFFAOYSA-N 1 3 339.281 2.616 10 30 EFEEHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597131315 479586781 /nfs/dbraw/zinc/58/67/81/479586781.db2.gz VLOZGVKGAQSTQX-UHFFFAOYSA-N 1 3 340.515 2.700 10 30 EFEEHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597131315 479586789 /nfs/dbraw/zinc/58/67/89/479586789.db2.gz VLOZGVKGAQSTQX-UHFFFAOYSA-N 1 3 340.515 2.700 10 30 EFEEHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176883 480217058 /nfs/dbraw/zinc/21/70/58/480217058.db2.gz AIFRUKCWZAOLPO-UHFFFAOYSA-N 1 3 342.531 2.946 10 30 EFEEHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176883 480217067 /nfs/dbraw/zinc/21/70/67/480217067.db2.gz AIFRUKCWZAOLPO-UHFFFAOYSA-N 1 3 342.531 2.946 10 30 EFEEHO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000651699133 481910080 /nfs/dbraw/zinc/91/00/80/481910080.db2.gz HYHWJEFHWZYVLS-VQIMIIECSA-N 1 3 329.488 2.812 10 30 EFEEHO C=CC[C@]1(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)CCC[NH2+]1 ZINC000662662150 481922079 /nfs/dbraw/zinc/92/20/79/481922079.db2.gz AQJKQBWOKOFOEU-AZUAARDMSA-N 1 3 329.488 2.666 10 30 EFEEHO C=CC[C@]1(C(=O)NC2CCN(CCc3ccccc3)CC2)CCC[NH2+]1 ZINC000662672826 481926062 /nfs/dbraw/zinc/92/60/62/481926062.db2.gz FEIUJAXBNJPPAY-OAQYLSRUSA-N 1 3 341.499 2.508 10 30 EFEEHO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000651752489 481933655 /nfs/dbraw/zinc/93/36/55/481933655.db2.gz IHQLQNZWTQYJKS-VQIMIIECSA-N 1 3 329.488 2.812 10 30 EFEEHO C=CC[C@]1(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CCC[NH2+]1 ZINC000662719081 481947134 /nfs/dbraw/zinc/94/71/34/481947134.db2.gz WKCBNMSAJDWBSG-OXQOHEQNSA-N 1 3 329.488 2.930 10 30 EFEEHO C[NH+]=C(NCCNC(C)(C)C)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000160960438 526361429 /nfs/dbraw/zinc/36/14/29/526361429.db2.gz ANQTVKSQIOICTO-HNNXBMFYSA-N 1 3 332.492 2.842 10 30 EFEEHO N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCN(Cc4ccccc4)C3)n2c1 ZINC000192929067 526694454 /nfs/dbraw/zinc/69/44/54/526694454.db2.gz DSYGLSXCRHMKJY-IBGZPJMESA-N 1 3 345.450 2.818 10 30 EFEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262849211 535549571 /nfs/dbraw/zinc/54/95/71/535549571.db2.gz WLNISWOWLQHUTD-KBRIMQKVSA-N 1 3 336.430 2.599 10 30 EFEEHO C=C(Cl)CNCCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001691411248 1248753962 /nfs/dbraw/zinc/75/39/62/1248753962.db2.gz FJFHOZCAHSTKKC-DJIMGWMZSA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(Cl)CNCCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001691411248 1248753972 /nfs/dbraw/zinc/75/39/72/1248753972.db2.gz FJFHOZCAHSTKKC-DJIMGWMZSA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691417031 1248758221 /nfs/dbraw/zinc/75/82/21/1248758221.db2.gz SRCKKBNJPUNNMO-RTBURBONSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001691935177 1249062174 /nfs/dbraw/zinc/06/21/74/1249062174.db2.gz BQLCQNOVOICEMP-CABCVRRESA-N 1 3 349.441 2.519 10 30 EFEEHO C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001691798352 1248316668 /nfs/dbraw/zinc/31/66/68/1248316668.db2.gz DFVODYCSZOYHER-FQEVSTJZSA-N 1 3 341.499 2.698 10 30 EFEEHO C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001691798352 1248316677 /nfs/dbraw/zinc/31/66/77/1248316677.db2.gz DFVODYCSZOYHER-FQEVSTJZSA-N 1 3 341.499 2.698 10 30 EFEEHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC/C=C\CCC)CC1 ZINC001691075532 1248362534 /nfs/dbraw/zinc/36/25/34/1248362534.db2.gz TYXPUYZHUDDRSO-WHXUGTBJSA-N 1 3 345.531 2.611 10 30 EFEEHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC/C=C\CCC)CC1 ZINC001691075532 1248362546 /nfs/dbraw/zinc/36/25/46/1248362546.db2.gz TYXPUYZHUDDRSO-WHXUGTBJSA-N 1 3 345.531 2.611 10 30 EFEEHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001484390071 1252497237 /nfs/dbraw/zinc/49/72/37/1252497237.db2.gz FZELFJICSDTUHR-RDGPPVDQSA-N 1 3 335.536 2.898 10 30 EFEEHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001484390071 1252497240 /nfs/dbraw/zinc/49/72/40/1252497240.db2.gz FZELFJICSDTUHR-RDGPPVDQSA-N 1 3 335.536 2.898 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC/C=C\CC)CC2)CC1 ZINC001484727853 1252818918 /nfs/dbraw/zinc/81/89/18/1252818918.db2.gz HDFJXSGNGDZRBV-KKHYBRAUSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC/C=C\CC)CC2)CC1 ZINC001484727853 1252818926 /nfs/dbraw/zinc/81/89/26/1252818926.db2.gz HDFJXSGNGDZRBV-KKHYBRAUSA-N 1 3 345.531 2.659 10 30 EFEEHO C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001273018577 1265828211 /nfs/dbraw/zinc/82/82/11/1265828211.db2.gz MRQFKJUYXKRZEC-MAUKXSAKSA-N 1 3 327.488 2.650 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCCC)CC2)CC1 ZINC001272785692 1258032795 /nfs/dbraw/zinc/03/27/95/1258032795.db2.gz HVUMIPWGXXPJIE-KESTWPANSA-N 1 3 347.547 2.786 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001670919494 1258632972 /nfs/dbraw/zinc/63/29/72/1258632972.db2.gz VEZUTEYNDCHZJL-LJQANCHMSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001670919494 1258632976 /nfs/dbraw/zinc/63/29/76/1258632976.db2.gz VEZUTEYNDCHZJL-LJQANCHMSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001671044088 1259930524 /nfs/dbraw/zinc/93/05/24/1259930524.db2.gz BATAKSJXPVNYNR-UYAOXDASSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001671044088 1259930529 /nfs/dbraw/zinc/93/05/29/1259930529.db2.gz BATAKSJXPVNYNR-UYAOXDASSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001671044085 1259931389 /nfs/dbraw/zinc/93/13/89/1259931389.db2.gz BATAKSJXPVNYNR-AZUAARDMSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001671044085 1259931391 /nfs/dbraw/zinc/93/13/91/1259931391.db2.gz BATAKSJXPVNYNR-AZUAARDMSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC/C=C/CC)C2)CC1 ZINC001486222671 1262827701 /nfs/dbraw/zinc/82/77/01/1262827701.db2.gz ZETJZGDYPAMQRI-YHTLKTDXSA-N 1 3 345.531 2.562 10 30 EFEEHO CC#CCN1CCC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001486440917 1263151514 /nfs/dbraw/zinc/15/15/14/1263151514.db2.gz ANTBQGHYBVESOU-QUCCMNQESA-N 1 3 347.547 2.737 10 30 EFEEHO C=C(Cl)CNC[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001411206861 1271947130 /nfs/dbraw/zinc/94/71/30/1271947130.db2.gz FVGSYWDKYALABJ-HNNXBMFYSA-N 1 3 341.927 2.735 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000876719069 1290988936 /nfs/dbraw/zinc/98/89/36/1290988936.db2.gz CHHRNDVJHBGWBS-QGZVFWFLSA-N 1 3 335.879 2.546 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000876738555 1290997332 /nfs/dbraw/zinc/99/73/32/1290997332.db2.gz GSAABRDMORVAKF-UKRRQHHQSA-N 1 3 341.908 2.546 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876738555 1290997336 /nfs/dbraw/zinc/99/73/36/1290997336.db2.gz GSAABRDMORVAKF-UKRRQHHQSA-N 1 3 341.908 2.546 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000876752354 1291005252 /nfs/dbraw/zinc/00/52/52/1291005252.db2.gz MQOMVDYTSKWQQA-CVEARBPZSA-N 1 3 327.900 2.571 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000876768536 1291012674 /nfs/dbraw/zinc/01/26/74/1291012674.db2.gz XBGSGMOZKQHTHV-ZQIUZPCESA-N 1 3 349.906 2.729 10 30 EFEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000876881891 1291056297 /nfs/dbraw/zinc/05/62/97/1291056297.db2.gz RYEDWRGOVKONCV-ZIAGYGMSSA-N 1 3 330.259 2.529 10 30 EFEEHO CC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001273606538 1292295287 /nfs/dbraw/zinc/29/52/87/1292295287.db2.gz ADXFJFUQSRRONZ-PMACEKPBSA-N 1 3 347.547 2.835 10 30 EFEEHO C=CCOc1ccccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980690 1313531483 /nfs/dbraw/zinc/53/14/83/1313531483.db2.gz XUGUZQQWYIZYNX-BGYRXZFFSA-N 1 3 341.499 2.652 10 30 EFEEHO C=CCOc1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980690 1313531488 /nfs/dbraw/zinc/53/14/88/1313531488.db2.gz XUGUZQQWYIZYNX-BGYRXZFFSA-N 1 3 341.499 2.652 10 30 EFEEHO C=CCOc1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980690 1313531492 /nfs/dbraw/zinc/53/14/92/1313531492.db2.gz XUGUZQQWYIZYNX-BGYRXZFFSA-N 1 3 341.499 2.652 10 30 EFEEHO C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001490758717 1299198321 /nfs/dbraw/zinc/19/83/21/1299198321.db2.gz MAWLDEWLFNUGMV-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001490758717 1299198328 /nfs/dbraw/zinc/19/83/28/1299198328.db2.gz MAWLDEWLFNUGMV-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCC2CC2)CC1 ZINC001278200573 1313781539 /nfs/dbraw/zinc/78/15/39/1313781539.db2.gz NJHZXXBCEVGZNB-HDICACEKSA-N 1 3 345.531 2.586 10 30 EFEEHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(C#N)ccc2N(C)C)C[C@@H](C)O1 ZINC000865472375 1303272853 /nfs/dbraw/zinc/27/28/53/1303272853.db2.gz ZSOLDCRBUCVAFX-IAGOWNOFSA-N 1 3 344.503 2.603 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000900535599 1308274603 /nfs/dbraw/zinc/27/46/03/1308274603.db2.gz RAAJFMWNRNZRJD-LJQANCHMSA-N 1 3 329.488 2.838 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000900918248 1308932498 /nfs/dbraw/zinc/93/24/98/1308932498.db2.gz ORJCAUPBBBTVRN-LJQANCHMSA-N 1 3 329.488 2.617 10 30 EFEEHO C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001278741634 1315640457 /nfs/dbraw/zinc/64/04/57/1315640457.db2.gz QCAYNZWNIXUIFB-OAHLLOKOSA-N 1 3 343.462 2.510 10 30 EFEEHO C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001278741634 1315640458 /nfs/dbraw/zinc/64/04/58/1315640458.db2.gz QCAYNZWNIXUIFB-OAHLLOKOSA-N 1 3 343.462 2.510 10 30 EFEEHO C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001278747762 1315650682 /nfs/dbraw/zinc/65/06/82/1315650682.db2.gz SZFJYHFIAMRVKW-HNNXBMFYSA-N 1 3 343.462 2.510 10 30 EFEEHO C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001278747762 1315650684 /nfs/dbraw/zinc/65/06/84/1315650684.db2.gz SZFJYHFIAMRVKW-HNNXBMFYSA-N 1 3 343.462 2.510 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CN(C)CCC ZINC001263957300 1316575444 /nfs/dbraw/zinc/57/54/44/1316575444.db2.gz BRRWUWRXKSTPHB-ZBFHGGJFSA-N 1 3 329.916 2.688 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@@H]21 ZINC001264585833 1316635846 /nfs/dbraw/zinc/63/58/46/1316635846.db2.gz HITHICBIHPOKAI-ATZDWAIDSA-N 1 3 344.503 2.832 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@@H]21 ZINC001264585833 1316635847 /nfs/dbraw/zinc/63/58/47/1316635847.db2.gz HITHICBIHPOKAI-ATZDWAIDSA-N 1 3 344.503 2.832 10 30 EFEEHO C#CCN1CC[C@]2(C1)CCCN(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001281087946 1316681204 /nfs/dbraw/zinc/68/12/04/1316681204.db2.gz OUHACIAZCAZPDC-NRFANRHFSA-N 1 3 345.531 2.589 10 30 EFEEHO C#CCN1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001281087946 1316681205 /nfs/dbraw/zinc/68/12/05/1316681205.db2.gz OUHACIAZCAZPDC-NRFANRHFSA-N 1 3 345.531 2.589 10 30 EFEEHO C=CCN1CCC(N(CCC)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001265340833 1316785818 /nfs/dbraw/zinc/78/58/18/1316785818.db2.gz DATUOTYXGCHXLH-PKOBYXMFSA-N 1 3 335.536 2.996 10 30 EFEEHO CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001265697471 1316858566 /nfs/dbraw/zinc/85/85/66/1316858566.db2.gz SPSQFRRWODWQGJ-OALUTQOASA-N 1 3 333.520 2.587 10 30 EFEEHO CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001265697471 1316858569 /nfs/dbraw/zinc/85/85/69/1316858569.db2.gz SPSQFRRWODWQGJ-OALUTQOASA-N 1 3 333.520 2.587 10 30 EFEEHO CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001265702856 1316861234 /nfs/dbraw/zinc/86/12/34/1316861234.db2.gz ISYYZBRZFHKMFF-QZTJIDSGSA-N 1 3 347.547 2.879 10 30 EFEEHO CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001265702856 1316861235 /nfs/dbraw/zinc/86/12/35/1316861235.db2.gz ISYYZBRZFHKMFF-QZTJIDSGSA-N 1 3 347.547 2.879 10 30 EFEEHO C=CCC[NH2+]C[C@@](C)(NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001318715742 1328675544 /nfs/dbraw/zinc/67/55/44/1328675544.db2.gz WTIJYJFEGBXINC-RTBURBONSA-N 1 3 339.499 2.650 10 30 EFEEHO C=CCCC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001279182830 1317205364 /nfs/dbraw/zinc/20/53/64/1317205364.db2.gz YPXXPIKHBDBWKH-GJZGRUSLSA-N 1 3 349.441 2.662 10 30 EFEEHO C=CCCC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C(F)(F)F ZINC001279182829 1317205711 /nfs/dbraw/zinc/20/57/11/1317205711.db2.gz YPXXPIKHBDBWKH-CABCVRRESA-N 1 3 349.441 2.662 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@]2(C[NH2+]CCCC)CCCC[C@@H]2C)CC1 ZINC001318760731 1328691607 /nfs/dbraw/zinc/69/16/07/1328691607.db2.gz TVNBSKNLNILDLZ-RXVVDRJESA-N 1 3 347.547 2.786 10 30 EFEEHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCN2CCC)c(F)c1 ZINC001279710692 1317366914 /nfs/dbraw/zinc/36/69/14/1317366914.db2.gz VYABMABKGMGHNJ-IBGZPJMESA-N 1 3 347.478 2.982 10 30 EFEEHO C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001280890215 1317882662 /nfs/dbraw/zinc/88/26/62/1317882662.db2.gz VNZJZTPPKJOLFQ-UXHICEINSA-N 1 3 345.531 2.589 10 30 EFEEHO C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001281833174 1318596762 /nfs/dbraw/zinc/59/67/62/1318596762.db2.gz BZCBUDINNSQDPU-UHFFFAOYSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[N@H+](CC)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001281833174 1318596768 /nfs/dbraw/zinc/59/67/68/1318596768.db2.gz BZCBUDINNSQDPU-UHFFFAOYSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCC2=CCCCC2)CC1 ZINC001282497621 1318972122 /nfs/dbraw/zinc/97/21/22/1318972122.db2.gz OZPMTWZKLXKDMS-GOSISDBHSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCC2=CCCCC2)CC1 ZINC001282497621 1318972125 /nfs/dbraw/zinc/97/21/25/1318972125.db2.gz OZPMTWZKLXKDMS-GOSISDBHSA-N 1 3 345.531 2.659 10 30 EFEEHO C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001282744686 1319107172 /nfs/dbraw/zinc/10/71/72/1319107172.db2.gz PYMHENGOEFWBKZ-HNAYVOBHSA-N 1 3 339.499 2.602 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC/C=C/CC)[C@@H]2C)CC1 ZINC001284155757 1320242376 /nfs/dbraw/zinc/24/23/76/1320242376.db2.gz WGFLKZQIHHVOLQ-YKMDAGRBSA-N 1 3 345.531 2.657 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC/C=C/CC)[C@@H]2C)CC1 ZINC001284155757 1320242377 /nfs/dbraw/zinc/24/23/77/1320242377.db2.gz WGFLKZQIHHVOLQ-YKMDAGRBSA-N 1 3 345.531 2.657 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCCC(C)C)C2)CC1 ZINC001284242095 1320282797 /nfs/dbraw/zinc/28/27/97/1320282797.db2.gz DMYCVKFIEOLADE-AZUAARDMSA-N 1 3 347.547 2.642 10 30 EFEEHO C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001284633754 1320450093 /nfs/dbraw/zinc/45/00/93/1320450093.db2.gz ZTNFKLVLCPNGRL-DNVCBOLYSA-N 1 3 341.515 2.896 10 30 EFEEHO C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)c(F)c1 ZINC001285004654 1320645750 /nfs/dbraw/zinc/64/57/50/1320645750.db2.gz MZXVBQNXMBVSQH-LJQANCHMSA-N 1 3 347.478 2.980 10 30 EFEEHO CC#CCNC[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001319633680 1328934356 /nfs/dbraw/zinc/93/43/56/1328934356.db2.gz KAROUTQYYJENEE-AZUAARDMSA-N 1 3 347.547 2.927 10 30 EFEEHO CC#CCNC[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001319633680 1328934362 /nfs/dbraw/zinc/93/43/62/1328934362.db2.gz KAROUTQYYJENEE-AZUAARDMSA-N 1 3 347.547 2.927 10 30 EFEEHO C=CCO[C@H]1CC[N@@H+](Cc2ccccc2N2CCN(CCC)CC2)C1 ZINC001320092729 1329074270 /nfs/dbraw/zinc/07/42/70/1329074270.db2.gz UXKPXUOKZLOUTF-FQEVSTJZSA-N 1 3 343.515 2.996 10 30 EFEEHO C=CCO[C@H]1CC[N@H+](Cc2ccccc2N2CCN(CCC)CC2)C1 ZINC001320092729 1329074275 /nfs/dbraw/zinc/07/42/75/1329074275.db2.gz UXKPXUOKZLOUTF-FQEVSTJZSA-N 1 3 343.515 2.996 10 30 EFEEHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)CC[C@H]21 ZINC001320112817 1329086502 /nfs/dbraw/zinc/08/65/02/1329086502.db2.gz WAAOFAMZSUKQGC-RTBURBONSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)CC[C@H]21 ZINC001320112817 1329086504 /nfs/dbraw/zinc/08/65/04/1329086504.db2.gz WAAOFAMZSUKQGC-RTBURBONSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)CCC=C)C2)CC1 ZINC001316666758 1323711967 /nfs/dbraw/zinc/71/19/67/1323711967.db2.gz KUJMTEVOOOLPLH-WSTZPKSXSA-N 1 3 345.531 2.561 10 30 EFEEHO C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+](CCC)CCC)C1 ZINC001317102247 1325569642 /nfs/dbraw/zinc/56/96/42/1325569642.db2.gz AUSRBVDSQUYIAF-UXHICEINSA-N 1 3 347.547 2.835 10 30 EFEEHO CCCN(C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001317411099 1327960598 /nfs/dbraw/zinc/96/05/98/1327960598.db2.gz BKEWKGFPKOYNRB-INIZCTEOSA-N 1 3 349.906 2.518 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001317471963 1328059889 /nfs/dbraw/zinc/05/98/89/1328059889.db2.gz SGDJDJMNNGYZKA-RBUKOAKNSA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001317471963 1328059894 /nfs/dbraw/zinc/05/98/94/1328059894.db2.gz SGDJDJMNNGYZKA-RBUKOAKNSA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)CC2CCC(C)CC2)CC1 ZINC001322306285 1329445289 /nfs/dbraw/zinc/44/52/89/1329445289.db2.gz JACVEDQFWQWCNT-JLAWEPINSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC2CCC(C)CC2)CC1 ZINC001322306285 1329445290 /nfs/dbraw/zinc/44/52/90/1329445290.db2.gz JACVEDQFWQWCNT-JLAWEPINSA-N 1 3 347.547 2.594 10 30 EFEEHO C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001323540450 1329550477 /nfs/dbraw/zinc/55/04/77/1329550477.db2.gz CUHBCNZVAGSJHP-DNVCBOLYSA-N 1 3 339.499 2.792 10 30 EFEEHO C=CCCC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001323734143 1329566528 /nfs/dbraw/zinc/56/65/28/1329566528.db2.gz XAUVEKOXTCIAIK-GOSISDBHSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001323734143 1329566530 /nfs/dbraw/zinc/56/65/30/1329566530.db2.gz XAUVEKOXTCIAIK-GOSISDBHSA-N 1 3 347.547 2.997 10 30 EFEEHO C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001323813140 1329573841 /nfs/dbraw/zinc/57/38/41/1329573841.db2.gz OLUCUIRJUPEIEF-NRFANRHFSA-N 1 3 347.547 2.836 10 30 EFEEHO C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001323813140 1329573844 /nfs/dbraw/zinc/57/38/44/1329573844.db2.gz OLUCUIRJUPEIEF-NRFANRHFSA-N 1 3 347.547 2.836 10 30 EFEEHO CC#CCN1CC[C@]2(CCN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001323872466 1329581584 /nfs/dbraw/zinc/58/15/84/1329581584.db2.gz JQACYVXSAFNBJV-NRFANRHFSA-N 1 3 347.547 2.836 10 30 EFEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CC(CC)CC)CC1 ZINC001324439692 1329627370 /nfs/dbraw/zinc/62/73/70/1329627370.db2.gz KWYRFSYGRZEBTJ-LJQANCHMSA-N 1 3 335.536 2.689 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC/C=C\CCC)C2)CC1 ZINC001324673823 1329650460 /nfs/dbraw/zinc/65/04/60/1329650460.db2.gz OJCQKGSWKZTBIF-GIWCCYDRSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](CC/C=C\CCC)C2)CC1 ZINC001324673823 1329650462 /nfs/dbraw/zinc/65/04/62/1329650462.db2.gz OJCQKGSWKZTBIF-GIWCCYDRSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC/C=C/CCC)C2)CC1 ZINC001324673826 1329650660 /nfs/dbraw/zinc/65/06/60/1329650660.db2.gz OJCQKGSWKZTBIF-QQUYBBDPSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](CC/C=C/CCC)C2)CC1 ZINC001324673826 1329650662 /nfs/dbraw/zinc/65/06/62/1329650662.db2.gz OJCQKGSWKZTBIF-QQUYBBDPSA-N 1 3 345.531 2.659 10 30 EFEEHO C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001325508696 1329692993 /nfs/dbraw/zinc/69/29/93/1329692993.db2.gz LIASHPCBNUWIGY-MSOLQXFVSA-N 1 3 335.536 2.901 10 30 EFEEHO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)C2 ZINC001325642478 1329703378 /nfs/dbraw/zinc/70/33/78/1329703378.db2.gz GOHARMPKCGJMCH-DQCOHUIHSA-N 1 3 333.520 2.795 10 30 EFEEHO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)C2 ZINC001325642478 1329703381 /nfs/dbraw/zinc/70/33/81/1329703381.db2.gz GOHARMPKCGJMCH-DQCOHUIHSA-N 1 3 333.520 2.795 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001326378694 1329751478 /nfs/dbraw/zinc/75/14/78/1329751478.db2.gz AAYUXTRDKLWMAJ-DLBZAZTESA-N 1 3 341.927 2.832 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001326458950 1329758687 /nfs/dbraw/zinc/75/86/87/1329758687.db2.gz UCUBYNVYWDWQNC-IRXDYDNUSA-N 1 3 329.488 2.651 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001326458950 1329758688 /nfs/dbraw/zinc/75/86/88/1329758688.db2.gz UCUBYNVYWDWQNC-IRXDYDNUSA-N 1 3 329.488 2.651 10 30 EFEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001326467031 1329758891 /nfs/dbraw/zinc/75/88/91/1329758891.db2.gz DWPWGXBXLXXBPL-PXNSSMCTSA-N 1 3 341.499 2.707 10 30 EFEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001326467031 1329758893 /nfs/dbraw/zinc/75/88/93/1329758893.db2.gz DWPWGXBXLXXBPL-PXNSSMCTSA-N 1 3 341.499 2.707 10 30 EFEEHO CC#CCN1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001328079657 1330551181 /nfs/dbraw/zinc/55/11/81/1330551181.db2.gz DMJQQNOHLOBTGI-GOSISDBHSA-N 1 3 347.547 2.879 10 30 EFEEHO CC#CCN1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001328079657 1330551185 /nfs/dbraw/zinc/55/11/85/1330551185.db2.gz DMJQQNOHLOBTGI-GOSISDBHSA-N 1 3 347.547 2.879 10 30 EFEEHO C[C@H](NCC#Cc1ccc(Cl)cc1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001329110840 1330668648 /nfs/dbraw/zinc/66/86/48/1330668648.db2.gz QHYLCOGYQJDUPZ-HOTGVXAUSA-N 1 3 349.906 2.516 10 30 EFEEHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001329167120 1330675367 /nfs/dbraw/zinc/67/53/67/1330675367.db2.gz JXBKDKAMXVQCTR-JKSUJKDBSA-N 1 3 349.906 2.516 10 30 EFEEHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001329167120 1330675372 /nfs/dbraw/zinc/67/53/72/1330675372.db2.gz JXBKDKAMXVQCTR-JKSUJKDBSA-N 1 3 349.906 2.516 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001333456367 1331147968 /nfs/dbraw/zinc/14/79/68/1331147968.db2.gz CCRPEJMXIWWXOV-MJGOQNOKSA-N 1 3 333.520 2.964 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001333456367 1331147969 /nfs/dbraw/zinc/14/79/69/1331147969.db2.gz CCRPEJMXIWWXOV-MJGOQNOKSA-N 1 3 333.520 2.964 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001333456369 1331148140 /nfs/dbraw/zinc/14/81/40/1331148140.db2.gz CCRPEJMXIWWXOV-PKOBYXMFSA-N 1 3 333.520 2.964 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001333456369 1331148146 /nfs/dbraw/zinc/14/81/46/1331148146.db2.gz CCRPEJMXIWWXOV-PKOBYXMFSA-N 1 3 333.520 2.964 10 30 EFEEHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCCN2C(C)C)c(F)c1 ZINC001333479701 1331153130 /nfs/dbraw/zinc/15/31/30/1331153130.db2.gz NDWAUILQAINXLM-LJQANCHMSA-N 1 3 347.478 2.980 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC/C=C/CC)C2)CC1 ZINC001480272689 1333516884 /nfs/dbraw/zinc/51/68/84/1333516884.db2.gz YAMPXVSSUYSYHL-ZMBJWTFHSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+](CC/C=C/CC)C2)CC1 ZINC001480272689 1333516888 /nfs/dbraw/zinc/51/68/88/1333516888.db2.gz YAMPXVSSUYSYHL-ZMBJWTFHSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+](CCCCCC)C2)CC1 ZINC001480272733 1333516991 /nfs/dbraw/zinc/51/69/91/1333516991.db2.gz ZBAIXQLADFRCRF-LJQANCHMSA-N 1 3 347.547 2.740 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+](CCCCCC)C2)CC1 ZINC001480272733 1333516996 /nfs/dbraw/zinc/51/69/96/1333516996.db2.gz ZBAIXQLADFRCRF-LJQANCHMSA-N 1 3 347.547 2.740 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CCCCCC)C2)CC1 ZINC001480272732 1333517010 /nfs/dbraw/zinc/51/70/10/1333517010.db2.gz ZBAIXQLADFRCRF-IBGZPJMESA-N 1 3 347.547 2.740 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCCCCC)C2)CC1 ZINC001480272732 1333517016 /nfs/dbraw/zinc/51/70/16/1333517016.db2.gz ZBAIXQLADFRCRF-IBGZPJMESA-N 1 3 347.547 2.740 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001367321179 1338618350 /nfs/dbraw/zinc/61/83/50/1338618350.db2.gz DFLMVHCCGSYGAD-HOTGVXAUSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCC1 ZINC001367321179 1338618357 /nfs/dbraw/zinc/61/83/57/1338618357.db2.gz DFLMVHCCGSYGAD-HOTGVXAUSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001374178958 1341518815 /nfs/dbraw/zinc/51/88/15/1341518815.db2.gz HKCLUNRSGVXNEN-GASCZTMLSA-N 1 3 327.900 2.630 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001374178958 1341518817 /nfs/dbraw/zinc/51/88/17/1341518817.db2.gz HKCLUNRSGVXNEN-GASCZTMLSA-N 1 3 327.900 2.630 10 30 EFEEHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001380798259 1347886406 /nfs/dbraw/zinc/88/64/06/1347886406.db2.gz HOXSPLZNPYOFPB-QBPKDAKJSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCCN1C)C(C)C ZINC001394170718 1357543682 /nfs/dbraw/zinc/54/36/82/1357543682.db2.gz HFZWSZOLJWQVMH-JKSUJKDBSA-N 1 3 329.916 2.686 10 30 EFEEHO C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001402677122 1363926862 /nfs/dbraw/zinc/92/68/62/1363926862.db2.gz FUNCSTVUEJMYQY-HNNXBMFYSA-N 1 3 347.906 2.780 10 30 EFEEHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001403525548 1364731135 /nfs/dbraw/zinc/73/11/35/1364731135.db2.gz LCUILOAMMCYUPW-IAGOWNOFSA-N 1 3 341.927 2.828 10 30 EFEEHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001403525548 1364731137 /nfs/dbraw/zinc/73/11/37/1364731137.db2.gz LCUILOAMMCYUPW-IAGOWNOFSA-N 1 3 341.927 2.828 10 30 EFEEHO C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H]1CCCN1C)Cc1ccccc1 ZINC001403807249 1364962041 /nfs/dbraw/zinc/96/20/41/1364962041.db2.gz TWFJDTSRTPVYJA-MSOLQXFVSA-N 1 3 349.906 2.540 10 30 EFEEHO C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001417812111 1373283452 /nfs/dbraw/zinc/28/34/52/1373283452.db2.gz HXAFPEVOXYVXCS-DLBZAZTESA-N 1 3 341.927 2.880 10 30 EFEEHO C=C(Cl)CNC[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001423486472 1381979190 /nfs/dbraw/zinc/97/91/90/1381979190.db2.gz RFZOAXFUUWILMB-YOEHRIQHSA-N 1 3 345.890 2.532 10 30 EFEEHO C=C(Cl)CNC[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001423486472 1381979195 /nfs/dbraw/zinc/97/91/95/1381979195.db2.gz RFZOAXFUUWILMB-YOEHRIQHSA-N 1 3 345.890 2.532 10 30 EFEEHO C=C(Cl)CNC[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001426134131 1384016664 /nfs/dbraw/zinc/01/66/64/1384016664.db2.gz INWQFNNJSMQURB-HOTGVXAUSA-N 1 3 343.943 2.980 10 30 EFEEHO C=C(Cl)CNC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001426134131 1384016668 /nfs/dbraw/zinc/01/66/68/1384016668.db2.gz INWQFNNJSMQURB-HOTGVXAUSA-N 1 3 343.943 2.980 10 30 EFEEHO C[N@@H+]1C[C@@]23CN(CCCC4(C#N)CCOCC4)C[C@]2(C1)CCCC3 ZINC001434495574 1387180123 /nfs/dbraw/zinc/18/01/23/1387180123.db2.gz YBFZYTFEMIONSO-BGYRXZFFSA-N 1 3 331.504 2.895 10 30 EFEEHO C[N@H+]1C[C@@]23CN(CCCC4(C#N)CCOCC4)C[C@]2(C1)CCCC3 ZINC001434495574 1387180125 /nfs/dbraw/zinc/18/01/25/1387180125.db2.gz YBFZYTFEMIONSO-BGYRXZFFSA-N 1 3 331.504 2.895 10 30 EFEEHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001440290980 1389508798 /nfs/dbraw/zinc/50/87/98/1389508798.db2.gz FLQIBVAVEHZDOK-GASCZTMLSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001440290980 1389508802 /nfs/dbraw/zinc/50/88/02/1389508802.db2.gz FLQIBVAVEHZDOK-GASCZTMLSA-N 1 3 341.927 2.876 10 30 EFEEHO C#Cc1ccc(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC001473193539 1397289151 /nfs/dbraw/zinc/28/91/51/1397289151.db2.gz WEZWQGAZJVGKRL-IBGZPJMESA-N 1 3 327.472 2.803 10 30 EFEEHO C#Cc1ccc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC001473193539 1397289153 /nfs/dbraw/zinc/28/91/53/1397289153.db2.gz WEZWQGAZJVGKRL-IBGZPJMESA-N 1 3 327.472 2.803 10 30 EFEEHO C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC001507354555 1406939933 /nfs/dbraw/zinc/93/99/33/1406939933.db2.gz CCGXYICBQCEXQA-YTQUADARSA-N 1 3 333.520 2.654 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)CCC2=CCCCC2)CC1 ZINC001493063715 1398407741 /nfs/dbraw/zinc/40/77/41/1398407741.db2.gz YDDQAFNUTZFOHS-UHFFFAOYSA-N 1 3 345.531 2.660 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC)CCC2=CCCCC2)CC1 ZINC001493063715 1398407748 /nfs/dbraw/zinc/40/77/48/1398407748.db2.gz YDDQAFNUTZFOHS-UHFFFAOYSA-N 1 3 345.531 2.660 10 30 EFEEHO C#CCCN1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001507375290 1406974227 /nfs/dbraw/zinc/97/42/27/1406974227.db2.gz LXWHDRSVLVUSBT-SJLPKXTDSA-N 1 3 333.520 2.632 10 30 EFEEHO C#CCCN1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001507375290 1406974231 /nfs/dbraw/zinc/97/42/31/1406974231.db2.gz LXWHDRSVLVUSBT-SJLPKXTDSA-N 1 3 333.520 2.632 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001495358494 1399902878 /nfs/dbraw/zinc/90/28/78/1399902878.db2.gz VNBNFBHRQFVFAZ-IXDOHACOSA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001495358494 1399902884 /nfs/dbraw/zinc/90/28/84/1399902884.db2.gz VNBNFBHRQFVFAZ-IXDOHACOSA-N 1 3 341.927 2.688 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001498197494 1401904362 /nfs/dbraw/zinc/90/43/62/1401904362.db2.gz NJBHZODMRRBDIR-KRWDZBQOSA-N 1 3 347.547 2.642 10 30 EFEEHO CC#CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)C1CCCCCC1 ZINC001499519237 1402656969 /nfs/dbraw/zinc/65/69/69/1402656969.db2.gz QZUWLJUBHVTXJE-UHFFFAOYSA-N 1 3 333.520 2.635 10 30 EFEEHO CC#CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)C1CCCCCC1 ZINC001499519237 1402656970 /nfs/dbraw/zinc/65/69/70/1402656970.db2.gz QZUWLJUBHVTXJE-UHFFFAOYSA-N 1 3 333.520 2.635 10 30 EFEEHO C#CCC[N@@H+](CCNC(=O)CN(C)C1CCC1)C1CCCCCC1 ZINC001499518975 1402656997 /nfs/dbraw/zinc/65/69/97/1402656997.db2.gz KBUNQRAQNXJPQK-UHFFFAOYSA-N 1 3 333.520 2.635 10 30 EFEEHO C#CCC[N@H+](CCNC(=O)CN(C)C1CCC1)C1CCCCCC1 ZINC001499518975 1402657000 /nfs/dbraw/zinc/65/70/00/1402657000.db2.gz KBUNQRAQNXJPQK-UHFFFAOYSA-N 1 3 333.520 2.635 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001499570767 1402690000 /nfs/dbraw/zinc/69/00/00/1402690000.db2.gz UXCYTYCTKFKWTO-HXUWFJFHSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001499570767 1402690002 /nfs/dbraw/zinc/69/00/02/1402690002.db2.gz UXCYTYCTKFKWTO-HXUWFJFHSA-N 1 3 333.520 2.751 10 30 EFEEHO C#CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CCN(CC=C(C)C)CC1 ZINC001500039768 1402908859 /nfs/dbraw/zinc/90/88/59/1402908859.db2.gz WWHNQRNFJVYRMB-IBGZPJMESA-N 1 3 345.531 2.753 10 30 EFEEHO C#CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCN(CC=C(C)C)CC1 ZINC001500039768 1402908862 /nfs/dbraw/zinc/90/88/62/1402908862.db2.gz WWHNQRNFJVYRMB-IBGZPJMESA-N 1 3 345.531 2.753 10 30 EFEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C1CCCC1 ZINC001500131451 1402950026 /nfs/dbraw/zinc/95/00/26/1402950026.db2.gz ODLBBHUTAKFDJQ-VQTJNVASSA-N 1 3 347.547 2.785 10 30 EFEEHO C#CCN1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001500519399 1403190190 /nfs/dbraw/zinc/19/01/90/1403190190.db2.gz NWNDLVDPHWZGPJ-TZIWHRDSSA-N 1 3 345.531 2.635 10 30 EFEEHO C#CCN1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001500519399 1403190194 /nfs/dbraw/zinc/19/01/94/1403190194.db2.gz NWNDLVDPHWZGPJ-TZIWHRDSSA-N 1 3 345.531 2.635 10 30 EFEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001501681321 1403713406 /nfs/dbraw/zinc/71/34/06/1403713406.db2.gz GRTGTJKCAAGACJ-QGZVFWFLSA-N 1 3 341.499 2.709 10 30 EFEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001501681320 1403713546 /nfs/dbraw/zinc/71/35/46/1403713546.db2.gz GRTGTJKCAAGACJ-KRWDZBQOSA-N 1 3 341.499 2.709 10 30 EFEEHO C=CCN1CCc2c(CNC(=O)C(C)(C)[NH+]3CCCC3)cccc2C1 ZINC001501854063 1403827158 /nfs/dbraw/zinc/82/71/58/1403827158.db2.gz KLBRAVXLGCPFJB-UHFFFAOYSA-N 1 3 341.499 2.721 10 30 EFEEHO C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001503692847 1404500783 /nfs/dbraw/zinc/50/07/83/1404500783.db2.gz XXFNKDUGYCJGAN-IBGZPJMESA-N 1 3 329.488 2.620 10 30 EFEEHO C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001503692847 1404500790 /nfs/dbraw/zinc/50/07/90/1404500790.db2.gz XXFNKDUGYCJGAN-IBGZPJMESA-N 1 3 329.488 2.620 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001505472607 1404708147 /nfs/dbraw/zinc/70/81/47/1404708147.db2.gz IYPINNRDZRTAAK-OALUTQOASA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001505472607 1404708153 /nfs/dbraw/zinc/70/81/53/1404708153.db2.gz IYPINNRDZRTAAK-OALUTQOASA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001565942366 1415461119 /nfs/dbraw/zinc/46/11/19/1415461119.db2.gz YELKKVSXRPBXLR-ZBFHGGJFSA-N 1 3 329.916 2.688 10 30 EFEEHO C=C(Cl)CNCC[C@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001565942366 1415461120 /nfs/dbraw/zinc/46/11/20/1415461120.db2.gz YELKKVSXRPBXLR-ZBFHGGJFSA-N 1 3 329.916 2.688 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001565943311 1415461652 /nfs/dbraw/zinc/46/16/52/1415461652.db2.gz OZYNLWXPNAQQDR-HOCLYGCPSA-N 1 3 329.916 2.686 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)CCC)C(C)(C)[C@@H]21 ZINC001565994390 1415473917 /nfs/dbraw/zinc/47/39/17/1415473917.db2.gz FYFGWAMWNBRVRG-BHIYHBOVSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)CCC)C(C)(C)[C@@H]21 ZINC001565994390 1415473920 /nfs/dbraw/zinc/47/39/20/1415473920.db2.gz FYFGWAMWNBRVRG-BHIYHBOVSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCCCCC[NH+]1CCC(N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001566612818 1415695093 /nfs/dbraw/zinc/69/50/93/1415695093.db2.gz JSEJLKCWWFSBLN-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001566756586 1415764892 /nfs/dbraw/zinc/76/48/92/1415764892.db2.gz RUYFDNHQJSYLIA-GBESFXJTSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001566756586 1415764895 /nfs/dbraw/zinc/76/48/95/1415764895.db2.gz RUYFDNHQJSYLIA-GBESFXJTSA-N 1 3 333.520 2.750 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[C@H]2CCC[N@H+]2C[C@@H](C)CC)CC1 ZINC001567266841 1416046613 /nfs/dbraw/zinc/04/66/13/1416046613.db2.gz OASHUZFJCHXJSW-ICSRJNTNSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2C[C@@H](C)CC)CC1 ZINC001567266841 1416046616 /nfs/dbraw/zinc/04/66/16/1416046616.db2.gz OASHUZFJCHXJSW-ICSRJNTNSA-N 1 3 347.547 2.739 10 30 EFEEHO CC#CC[NH2+]C[C@@]1(NC(=O)CN(C)CC(C)(C)C)CCCC[C@H]1C ZINC001568040096 1416371874 /nfs/dbraw/zinc/37/18/74/1416371874.db2.gz JEPWDTGEANYMBN-XLIONFOSSA-N 1 3 335.536 2.642 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001568154980 1416427468 /nfs/dbraw/zinc/42/74/68/1416427468.db2.gz BKJZPJMSEKPHID-RTBURBONSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001568154980 1416427470 /nfs/dbraw/zinc/42/74/70/1416427470.db2.gz BKJZPJMSEKPHID-RTBURBONSA-N 1 3 347.547 2.997 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568387173 1416507236 /nfs/dbraw/zinc/50/72/36/1416507236.db2.gz RDZBLDYCIJVCKB-DLBZAZTESA-N 1 3 341.927 2.974 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568387173 1416507237 /nfs/dbraw/zinc/50/72/37/1416507237.db2.gz RDZBLDYCIJVCKB-DLBZAZTESA-N 1 3 341.927 2.974 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001568387174 1416507400 /nfs/dbraw/zinc/50/74/00/1416507400.db2.gz RDZBLDYCIJVCKB-IAGOWNOFSA-N 1 3 341.927 2.974 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568387174 1416507402 /nfs/dbraw/zinc/50/74/02/1416507402.db2.gz RDZBLDYCIJVCKB-IAGOWNOFSA-N 1 3 341.927 2.974 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)CC(C)C)[C@@H]2C)CC1 ZINC001692236622 1417265416 /nfs/dbraw/zinc/26/54/16/1417265416.db2.gz IJQBNKJLEZWTKD-NSHGMRRFSA-N 1 3 347.547 2.593 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)CC(C)C)[C@@H]2C)CC1 ZINC001692236622 1417265418 /nfs/dbraw/zinc/26/54/18/1417265418.db2.gz IJQBNKJLEZWTKD-NSHGMRRFSA-N 1 3 347.547 2.593 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC001692375668 1417281462 /nfs/dbraw/zinc/28/14/62/1417281462.db2.gz SXQGOJVLOAGIGT-MSOLQXFVSA-N 1 3 333.520 2.940 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H]1C ZINC001692375668 1417281463 /nfs/dbraw/zinc/28/14/63/1417281463.db2.gz SXQGOJVLOAGIGT-MSOLQXFVSA-N 1 3 333.520 2.940 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001699672995 1417446317 /nfs/dbraw/zinc/44/63/17/1417446317.db2.gz IETCJOMIFDXTGQ-RTBURBONSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001699672995 1417446318 /nfs/dbraw/zinc/44/63/18/1417446318.db2.gz IETCJOMIFDXTGQ-RTBURBONSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001699674426 1417447560 /nfs/dbraw/zinc/44/75/60/1417447560.db2.gz WAJPJAXOAIANBZ-UXHICEINSA-N 1 3 345.531 2.589 10 30 EFEEHO CC#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001716706537 1418965504 /nfs/dbraw/zinc/96/55/04/1418965504.db2.gz QUMOAPIKABLVGG-RBUKOAKNSA-N 1 3 347.547 2.691 10 30 EFEEHO CC#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001716706537 1418965509 /nfs/dbraw/zinc/96/55/09/1418965509.db2.gz QUMOAPIKABLVGG-RBUKOAKNSA-N 1 3 347.547 2.691 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001716706323 1418965717 /nfs/dbraw/zinc/96/57/17/1418965717.db2.gz NRXISSBOSCANIC-SJLPKXTDSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001716706323 1418965718 /nfs/dbraw/zinc/96/57/18/1418965718.db2.gz NRXISSBOSCANIC-SJLPKXTDSA-N 1 3 330.476 2.621 10 30 EFEEHO C#CCNC[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001716812886 1419025797 /nfs/dbraw/zinc/02/57/97/1419025797.db2.gz UKDCUQSFGUSYHZ-UTKZUKDTSA-N 1 3 349.478 2.562 10 30 EFEEHO C#CCNC[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001716812886 1419025801 /nfs/dbraw/zinc/02/58/01/1419025801.db2.gz UKDCUQSFGUSYHZ-UTKZUKDTSA-N 1 3 349.478 2.562 10 30 EFEEHO C#CCNC[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001716812887 1419026121 /nfs/dbraw/zinc/02/61/21/1419026121.db2.gz UKDCUQSFGUSYHZ-UWJYYQICSA-N 1 3 349.478 2.562 10 30 EFEEHO C#CCNC[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001716812887 1419026126 /nfs/dbraw/zinc/02/61/26/1419026126.db2.gz UKDCUQSFGUSYHZ-UWJYYQICSA-N 1 3 349.478 2.562 10 30 EFEEHO C=CCCC[NH+]1CCC([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001716952593 1419107311 /nfs/dbraw/zinc/10/73/11/1419107311.db2.gz IDNVQESYHKWHPL-SFHVURJKSA-N 1 3 344.503 2.869 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1CC ZINC001716954033 1419107995 /nfs/dbraw/zinc/10/79/95/1419107995.db2.gz MQKBEXNIOOUHBR-SZVBFZGTSA-N 1 3 329.488 2.522 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1CC ZINC001716954033 1419107997 /nfs/dbraw/zinc/10/79/97/1419107997.db2.gz MQKBEXNIOOUHBR-SZVBFZGTSA-N 1 3 329.488 2.522 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001717110934 1419215834 /nfs/dbraw/zinc/21/58/34/1419215834.db2.gz KIAKVMNENHQISK-DLBZAZTESA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(C)CCN1Cc2ccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001717271108 1419300018 /nfs/dbraw/zinc/30/00/18/1419300018.db2.gz XPGNDNRLQZVBTL-SFHVURJKSA-N 1 3 341.499 2.926 10 30 EFEEHO C=C(C)CCN1Cc2ccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001717271108 1419300019 /nfs/dbraw/zinc/30/00/19/1419300019.db2.gz XPGNDNRLQZVBTL-SFHVURJKSA-N 1 3 341.499 2.926 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC=C)CC2(C)C)CC1 ZINC001717313400 1419324988 /nfs/dbraw/zinc/32/49/88/1419324988.db2.gz SSEYSSWCRLKMQZ-LJQANCHMSA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC=C)CC2(C)C)CC1 ZINC001717313400 1419324991 /nfs/dbraw/zinc/32/49/91/1419324991.db2.gz SSEYSSWCRLKMQZ-LJQANCHMSA-N 1 3 345.531 2.515 10 30 EFEEHO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001717625098 1419474290 /nfs/dbraw/zinc/47/42/90/1419474290.db2.gz WMBQLSOZWDREEH-OKZBNKHCSA-N 1 3 335.536 2.757 10 30 EFEEHO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001717625098 1419474291 /nfs/dbraw/zinc/47/42/91/1419474291.db2.gz WMBQLSOZWDREEH-OKZBNKHCSA-N 1 3 335.536 2.757 10 30 EFEEHO C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001717684398 1419504660 /nfs/dbraw/zinc/50/46/60/1419504660.db2.gz LXEBHTALTFUELA-MAUKXSAKSA-N 1 3 327.488 2.650 10 30 EFEEHO C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001717684397 1419504895 /nfs/dbraw/zinc/50/48/95/1419504895.db2.gz LXEBHTALTFUELA-CRAIPNDOSA-N 1 3 327.488 2.650 10 30 EFEEHO CC[C@@H](C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1)[NH+](CC)CC ZINC001717740981 1419532145 /nfs/dbraw/zinc/53/21/45/1419532145.db2.gz JQNNSWJYLDFWQA-QUCCMNQESA-N 1 3 343.515 2.595 10 30 EFEEHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C(F)(F)F ZINC001717909409 1419615293 /nfs/dbraw/zinc/61/52/93/1419615293.db2.gz RRBDTXKRSBDVOP-GJZGRUSLSA-N 1 3 349.441 2.521 10 30 EFEEHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C(F)(F)F ZINC001717909408 1419615349 /nfs/dbraw/zinc/61/53/49/1419615349.db2.gz RRBDTXKRSBDVOP-CABCVRRESA-N 1 3 349.441 2.521 10 30 EFEEHO C#CCC[N@@H+](C)CCN(C(=O)c1cccc(CN(C)C)c1)C(C)C ZINC001717952630 1419626563 /nfs/dbraw/zinc/62/65/63/1419626563.db2.gz KGFRAGCVEGGANA-UHFFFAOYSA-N 1 3 329.488 2.554 10 30 EFEEHO C#CCC[N@H+](C)CCN(C(=O)c1cccc(CN(C)C)c1)C(C)C ZINC001717952630 1419626564 /nfs/dbraw/zinc/62/65/64/1419626564.db2.gz KGFRAGCVEGGANA-UHFFFAOYSA-N 1 3 329.488 2.554 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC(CC)CC)C(C)(C)C)CC1 ZINC001717973820 1419636298 /nfs/dbraw/zinc/63/62/98/1419636298.db2.gz MDIGWPLJXZUMMZ-IBGZPJMESA-N 1 3 349.563 2.888 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCC(C)C)CC1 ZINC001722955854 1424384755 /nfs/dbraw/zinc/38/47/55/1424384755.db2.gz HISJDXNOXJEEHZ-UXHICEINSA-N 1 3 347.547 2.642 10 30 EFEEHO C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001723100917 1424423625 /nfs/dbraw/zinc/42/36/25/1424423625.db2.gz ITSPUUVZVUYTME-QGZVFWFLSA-N 1 3 341.927 2.974 10 30 EFEEHO C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001723100917 1424423629 /nfs/dbraw/zinc/42/36/29/1424423629.db2.gz ITSPUUVZVUYTME-QGZVFWFLSA-N 1 3 341.927 2.974 10 30 EFEEHO C#CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001723608895 1424534521 /nfs/dbraw/zinc/53/45/21/1424534521.db2.gz SQRRVWUMZXSBRD-RBUKOAKNSA-N 1 3 347.547 2.691 10 30 EFEEHO C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001723608895 1424534524 /nfs/dbraw/zinc/53/45/24/1424534524.db2.gz SQRRVWUMZXSBRD-RBUKOAKNSA-N 1 3 347.547 2.691 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001723631186 1424540294 /nfs/dbraw/zinc/54/02/94/1424540294.db2.gz FZIRLFSHOKRZEH-MSOLQXFVSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001723631186 1424540299 /nfs/dbraw/zinc/54/02/99/1424540299.db2.gz FZIRLFSHOKRZEH-MSOLQXFVSA-N 1 3 333.520 2.892 10 30 EFEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001724065086 1424644137 /nfs/dbraw/zinc/64/41/37/1424644137.db2.gz NTDODDVCRHOSDW-UHFFFAOYSA-N 1 3 347.547 2.833 10 30 EFEEHO C=CCN1CCC[C@@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001724341059 1424741008 /nfs/dbraw/zinc/74/10/08/1424741008.db2.gz PNBOGHNSKPLDGA-FQEVSTJZSA-N 1 3 333.520 2.513 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001724511106 1424775939 /nfs/dbraw/zinc/77/59/39/1424775939.db2.gz FWDXKBXQXQMZJP-PKOBYXMFSA-N 1 3 329.488 2.524 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001724511106 1424775945 /nfs/dbraw/zinc/77/59/45/1424775945.db2.gz FWDXKBXQXQMZJP-PKOBYXMFSA-N 1 3 329.488 2.524 10 30 EFEEHO C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001724626604 1424852543 /nfs/dbraw/zinc/85/25/43/1424852543.db2.gz HVSZLXQXZQRVFU-HSALFYBXSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001724626604 1424852547 /nfs/dbraw/zinc/85/25/47/1424852547.db2.gz HVSZLXQXZQRVFU-HSALFYBXSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001724654811 1424890009 /nfs/dbraw/zinc/89/00/09/1424890009.db2.gz JVJTUWJLVHVEAU-ROUUACIJSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001724654811 1424890016 /nfs/dbraw/zinc/89/00/16/1424890016.db2.gz JVJTUWJLVHVEAU-ROUUACIJSA-N 1 3 333.520 2.892 10 30 EFEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001724749567 1424978986 /nfs/dbraw/zinc/97/89/86/1424978986.db2.gz NONWXFFOKOQEEG-FXAWDEMLSA-N 1 3 341.499 2.850 10 30 EFEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001724749567 1424978992 /nfs/dbraw/zinc/97/89/92/1424978992.db2.gz NONWXFFOKOQEEG-FXAWDEMLSA-N 1 3 341.499 2.850 10 30 EFEEHO CC#CCN1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001724837818 1425052536 /nfs/dbraw/zinc/05/25/36/1425052536.db2.gz RQBRFNSBRTTYQI-GOSISDBHSA-N 1 3 333.520 2.635 10 30 EFEEHO CC#CCN1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001724837818 1425052544 /nfs/dbraw/zinc/05/25/44/1425052544.db2.gz RQBRFNSBRTTYQI-GOSISDBHSA-N 1 3 333.520 2.635 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001724900810 1425120495 /nfs/dbraw/zinc/12/04/95/1425120495.db2.gz RMGWTYCZVMDBJJ-ICSRJNTNSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001724900810 1425120505 /nfs/dbraw/zinc/12/05/05/1425120505.db2.gz RMGWTYCZVMDBJJ-ICSRJNTNSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001725025629 1425237101 /nfs/dbraw/zinc/23/71/01/1425237101.db2.gz HVOXYNONMYQXQI-IBGZPJMESA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001725025629 1425237105 /nfs/dbraw/zinc/23/71/05/1425237105.db2.gz HVOXYNONMYQXQI-IBGZPJMESA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001725025630 1425237191 /nfs/dbraw/zinc/23/71/91/1425237191.db2.gz HVOXYNONMYQXQI-LJQANCHMSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001725025630 1425237195 /nfs/dbraw/zinc/23/71/95/1425237195.db2.gz HVOXYNONMYQXQI-LJQANCHMSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001725026147 1425237300 /nfs/dbraw/zinc/23/73/00/1425237300.db2.gz IHEROAGVLILAGP-SFHVURJKSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)CC[N@H+](CC)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001725026147 1425237309 /nfs/dbraw/zinc/23/73/09/1425237309.db2.gz IHEROAGVLILAGP-SFHVURJKSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001725032290 1425242668 /nfs/dbraw/zinc/24/26/68/1425242668.db2.gz LPUIZPMTFRPHAQ-RTBURBONSA-N 1 3 341.499 2.809 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001725056244 1425267906 /nfs/dbraw/zinc/26/79/06/1425267906.db2.gz SHNOZHCEGMPEMD-IBGZPJMESA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001725056244 1425267910 /nfs/dbraw/zinc/26/79/10/1425267910.db2.gz SHNOZHCEGMPEMD-IBGZPJMESA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001725290016 1425443798 /nfs/dbraw/zinc/44/37/98/1425443798.db2.gz NVJHZARBYNAXHP-IAGOWNOFSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001725290016 1425443803 /nfs/dbraw/zinc/44/38/03/1425443803.db2.gz NVJHZARBYNAXHP-IAGOWNOFSA-N 1 3 333.520 2.796 10 30 EFEEHO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001725337286 1425482021 /nfs/dbraw/zinc/48/20/21/1425482021.db2.gz OWJZBTNKRBLEIB-BZSNNMDCSA-N 1 3 335.536 2.757 10 30 EFEEHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001725337286 1425482023 /nfs/dbraw/zinc/48/20/23/1425482023.db2.gz OWJZBTNKRBLEIB-BZSNNMDCSA-N 1 3 335.536 2.757 10 30 EFEEHO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001725337287 1425482394 /nfs/dbraw/zinc/48/23/94/1425482394.db2.gz OWJZBTNKRBLEIB-KSZLIROESA-N 1 3 335.536 2.757 10 30 EFEEHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001725337287 1425482397 /nfs/dbraw/zinc/48/23/97/1425482397.db2.gz OWJZBTNKRBLEIB-KSZLIROESA-N 1 3 335.536 2.757 10 30 EFEEHO C=CCCC[NH2+][C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C(F)(F)F ZINC001725784188 1425849238 /nfs/dbraw/zinc/84/92/38/1425849238.db2.gz XHDIVCBOOIPBBB-CABCVRRESA-N 1 3 349.441 2.663 10 30 EFEEHO C=CCCC[N@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001725819542 1425879139 /nfs/dbraw/zinc/87/91/39/1425879139.db2.gz QARLATIGYWPRHZ-UHFFFAOYSA-N 1 3 333.520 2.965 10 30 EFEEHO C=CCCC[N@@H+]1CC=C(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001725819542 1425879142 /nfs/dbraw/zinc/87/91/42/1425879142.db2.gz QARLATIGYWPRHZ-UHFFFAOYSA-N 1 3 333.520 2.965 10 30 EFEEHO C#CCC1(O)CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000895674637 724248086 /nfs/dbraw/zinc/24/80/86/724248086.db2.gz BCHHVNSSFUDMGY-UHFFFAOYSA-N 1 3 342.483 2.511 10 30 EFEEHO N#Cc1ccc(CN2CCC3(C[N@H+](C4CCC4)C[C@@H]3CO)CC2)cc1 ZINC000169782435 728404657 /nfs/dbraw/zinc/40/46/57/728404657.db2.gz FMKRICRVFGZMND-LJQANCHMSA-N 1 3 339.483 2.617 10 30 EFEEHO N#Cc1ccc(CN2CCC3(C[N@@H+](C4CCC4)C[C@@H]3CO)CC2)cc1 ZINC000169782435 728404661 /nfs/dbraw/zinc/40/46/61/728404661.db2.gz FMKRICRVFGZMND-LJQANCHMSA-N 1 3 339.483 2.617 10 30 EFEEHO C=C(C)CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001569452473 1085239688 /nfs/dbraw/zinc/23/96/88/1085239688.db2.gz TXSHCITVOBXZLD-LJQANCHMSA-N 1 3 333.520 2.750 10 30 EFEEHO C=C(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001569452473 1085239700 /nfs/dbraw/zinc/23/97/00/1085239700.db2.gz TXSHCITVOBXZLD-LJQANCHMSA-N 1 3 333.520 2.750 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001570021854 1085868614 /nfs/dbraw/zinc/86/86/14/1085868614.db2.gz JWZPMBWHUZXSJQ-INIZCTEOSA-N 1 3 349.906 2.943 10 30 EFEEHO C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001570269687 1086106958 /nfs/dbraw/zinc/10/69/58/1086106958.db2.gz ZYYYLYAWHOKCHU-FQEVSTJZSA-N 1 3 343.515 2.838 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001570475940 1086263197 /nfs/dbraw/zinc/26/31/97/1086263197.db2.gz YHSLXYQFJZDWPG-ZWKOTPCHSA-N 1 3 341.499 2.577 10 30 EFEEHO C=CCCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001570485916 1086278661 /nfs/dbraw/zinc/27/86/61/1086278661.db2.gz UHFDSECQFKGDDZ-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001570521885 1086307708 /nfs/dbraw/zinc/30/77/08/1086307708.db2.gz ILJODSBLOAVHPX-VAMGGRTRSA-N 1 3 343.515 2.911 10 30 EFEEHO CC#CC[NH2+]CC1(NC(=O)c2cccc(CN(C)C)c2)CCCCC1 ZINC001570805905 1086529703 /nfs/dbraw/zinc/52/97/03/1086529703.db2.gz NREVRQHELFTBNC-UHFFFAOYSA-N 1 3 341.499 2.794 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)N(C)C)C[C@@]2(C)C1 ZINC001571068000 1086659474 /nfs/dbraw/zinc/65/94/74/1086659474.db2.gz CMNJCXZQFFAYMV-QGZVKYPTSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)N(C)C)C[C@@]2(C)C1 ZINC001571068000 1086659478 /nfs/dbraw/zinc/65/94/78/1086659478.db2.gz CMNJCXZQFFAYMV-QGZVKYPTSA-N 1 3 335.536 2.852 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]21 ZINC001571510483 1086915882 /nfs/dbraw/zinc/91/58/82/1086915882.db2.gz FDACSXOOMMBHOS-XUVXKRRUSA-N 1 3 347.547 2.901 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]21 ZINC001571510482 1086916024 /nfs/dbraw/zinc/91/60/24/1086916024.db2.gz FDACSXOOMMBHOS-VAMGGRTRSA-N 1 3 347.547 2.901 10 30 EFEEHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001571571821 1086971820 /nfs/dbraw/zinc/97/18/20/1086971820.db2.gz IAXNHVYCBDEPLK-LSDHHAIUSA-N 1 3 349.441 2.519 10 30 EFEEHO CC#CCN1CCC(C2(NC(=O)CCC[NH+]3CCCCC3)CC2)CC1 ZINC001571670739 1087035497 /nfs/dbraw/zinc/03/54/97/1087035497.db2.gz YSXVSZNNHMXPPR-UHFFFAOYSA-N 1 3 345.531 2.637 10 30 EFEEHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]CC#Cc1ccccc1 ZINC001267144589 1092902022 /nfs/dbraw/zinc/90/20/22/1092902022.db2.gz BIJQNSQUHZATQX-GOSISDBHSA-N 1 3 343.515 2.500 10 30 EFEEHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001481675430 1096287986 /nfs/dbraw/zinc/28/79/86/1096287986.db2.gz NQUGXFIIKYFPJE-ROUUACIJSA-N 1 3 333.520 2.750 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001268674040 1097527741 /nfs/dbraw/zinc/52/77/41/1097527741.db2.gz NJBHZODMRRBDIR-QGZVFWFLSA-N 1 3 347.547 2.642 10 30 EFEEHO C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001268772235 1097619450 /nfs/dbraw/zinc/61/94/50/1097619450.db2.gz XCDYTZYDANREDB-PMACEKPBSA-N 1 3 341.499 2.650 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001269766582 1098432105 /nfs/dbraw/zinc/43/21/05/1098432105.db2.gz WZFLKGWQRIITJG-MRXNPFEDSA-N 1 3 343.943 2.935 10 30 EFEEHO C#CCN(C(=O)[C@H]1CCCN1C(C)C)C1CC[NH+](CCCC=C)CC1 ZINC001270315049 1098948254 /nfs/dbraw/zinc/94/82/54/1098948254.db2.gz DXIVYZHORZLLCH-HXUWFJFHSA-N 1 3 345.531 2.752 10 30 EFEEHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001270345878 1098988847 /nfs/dbraw/zinc/98/88/47/1098988847.db2.gz RSSWGJMMXZCNLL-HKUYNNGSSA-N 1 3 333.520 2.608 10 30 EFEEHO C=CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)CCCCCC)CC2 ZINC001267973974 1099031477 /nfs/dbraw/zinc/03/14/77/1099031477.db2.gz HXFZOOLYLHHIET-UHFFFAOYSA-N 1 3 335.536 2.999 10 30 EFEEHO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)CCCCCC)CC2 ZINC001267973974 1099031491 /nfs/dbraw/zinc/03/14/91/1099031491.db2.gz HXFZOOLYLHHIET-UHFFFAOYSA-N 1 3 335.536 2.999 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001267974132 1099034448 /nfs/dbraw/zinc/03/44/48/1099034448.db2.gz NNYMLVUWZKIOTO-INIZCTEOSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001267974132 1099034461 /nfs/dbraw/zinc/03/44/61/1099034461.db2.gz NNYMLVUWZKIOTO-INIZCTEOSA-N 1 3 330.476 2.621 10 30 EFEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CCCC1 ZINC001270439877 1099092261 /nfs/dbraw/zinc/09/22/61/1099092261.db2.gz BZAFEFUXJSCVMM-MJGOQNOKSA-N 1 3 333.520 2.539 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCCCCC=C)C2)CC1 ZINC001270660240 1099388744 /nfs/dbraw/zinc/38/87/44/1099388744.db2.gz ZERPBZRGGUMPQA-NRFANRHFSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCCCCC=C)C2)CC1 ZINC001270660240 1099388752 /nfs/dbraw/zinc/38/87/52/1099388752.db2.gz ZERPBZRGGUMPQA-NRFANRHFSA-N 1 3 345.531 2.659 10 30 EFEEHO C=CCC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001270826683 1099667225 /nfs/dbraw/zinc/66/72/25/1099667225.db2.gz TXAJNYHKVLVOJL-UHFFFAOYSA-N 1 3 329.488 2.957 10 30 EFEEHO C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001270857086 1099768755 /nfs/dbraw/zinc/76/87/55/1099768755.db2.gz DBCCSFHVFLLBFF-LJQANCHMSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCN(C)CCN(CC)C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001640020181 1101006070 /nfs/dbraw/zinc/00/60/70/1101006070.db2.gz QJJSTIHQGRBQAJ-HXUWFJFHSA-N 1 3 343.515 2.832 10 30 EFEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1CC ZINC001670587017 1101370533 /nfs/dbraw/zinc/37/05/33/1101370533.db2.gz DRNGYUNOZMUWJA-OALUTQOASA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001656078006 1101938411 /nfs/dbraw/zinc/93/84/11/1101938411.db2.gz RZDHGKANUWJRPI-GOSISDBHSA-N 1 3 333.520 2.894 10 30 EFEEHO C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001266431228 1102033718 /nfs/dbraw/zinc/03/37/18/1102033718.db2.gz LVVWHORDGYQHNU-QFBILLFUSA-N 1 3 339.499 2.650 10 30 EFEEHO C#CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001656447441 1102090076 /nfs/dbraw/zinc/09/00/76/1102090076.db2.gz HPSDZFRKQVAJGR-MSOLQXFVSA-N 1 3 335.536 2.594 10 30 EFEEHO CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001656650491 1102149686 /nfs/dbraw/zinc/14/96/86/1102149686.db2.gz GHEAHADWPLMPEF-QRQLOZEOSA-N 1 3 347.547 2.593 10 30 EFEEHO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001656650491 1102149691 /nfs/dbraw/zinc/14/96/91/1102149691.db2.gz GHEAHADWPLMPEF-QRQLOZEOSA-N 1 3 347.547 2.593 10 30 EFEEHO CC#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001656650489 1102150288 /nfs/dbraw/zinc/15/02/88/1102150288.db2.gz GHEAHADWPLMPEF-NEWSRXKRSA-N 1 3 347.547 2.593 10 30 EFEEHO CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)[C@H]21 ZINC001656650489 1102150294 /nfs/dbraw/zinc/15/02/94/1102150294.db2.gz GHEAHADWPLMPEF-NEWSRXKRSA-N 1 3 347.547 2.593 10 30 EFEEHO CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001271609891 1102168878 /nfs/dbraw/zinc/16/88/78/1102168878.db2.gz TWPQPSRFPDPZAS-HXUWFJFHSA-N 1 3 341.499 2.746 10 30 EFEEHO C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271663790 1102225595 /nfs/dbraw/zinc/22/55/95/1102225595.db2.gz AZEXAOKUXYQKBK-OALUTQOASA-N 1 3 335.536 2.901 10 30 EFEEHO CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001266891080 1102606791 /nfs/dbraw/zinc/60/67/91/1102606791.db2.gz NVTWXAUSMDLNLY-RBUKOAKNSA-N 1 3 347.547 2.833 10 30 EFEEHO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001266891080 1102606796 /nfs/dbraw/zinc/60/67/96/1102606796.db2.gz NVTWXAUSMDLNLY-RBUKOAKNSA-N 1 3 347.547 2.833 10 30 EFEEHO C=CCC[N@H+](CCC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001266571433 1102807738 /nfs/dbraw/zinc/80/77/38/1102807738.db2.gz TUZHFYNLKCEOKT-SFHVURJKSA-N 1 3 327.488 2.603 10 30 EFEEHO C=CCC[N@@H+](CCC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001266571433 1102807753 /nfs/dbraw/zinc/80/77/53/1102807753.db2.gz TUZHFYNLKCEOKT-SFHVURJKSA-N 1 3 327.488 2.603 10 30 EFEEHO CCCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001271893001 1102982264 /nfs/dbraw/zinc/98/22/64/1102982264.db2.gz YUEGPGDSEXSVAO-OTWHNJEPSA-N 1 3 337.552 2.933 10 30 EFEEHO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001271893001 1102982270 /nfs/dbraw/zinc/98/22/70/1102982270.db2.gz YUEGPGDSEXSVAO-OTWHNJEPSA-N 1 3 337.552 2.933 10 30 EFEEHO C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001661261375 1103208264 /nfs/dbraw/zinc/20/82/64/1103208264.db2.gz AOCXTJLLKJFFNI-HDICACEKSA-N 1 3 333.520 2.750 10 30 EFEEHO CC#CCNC[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001661943735 1103514959 /nfs/dbraw/zinc/51/49/59/1103514959.db2.gz SARUWSBXPVXWEK-VQTJNVASSA-N 1 3 345.531 2.778 10 30 EFEEHO CC#CCNC[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001661943735 1103514969 /nfs/dbraw/zinc/51/49/69/1103514969.db2.gz SARUWSBXPVXWEK-VQTJNVASSA-N 1 3 345.531 2.778 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001662796564 1103817355 /nfs/dbraw/zinc/81/73/55/1103817355.db2.gz BHBFGQHYOPUPHK-MOPGFXCFSA-N 1 3 347.547 2.785 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001663013906 1103922794 /nfs/dbraw/zinc/92/27/94/1103922794.db2.gz HTJXODBAUPOSLJ-SFHVURJKSA-N 1 3 347.547 2.786 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@H+](CC=C(C)C)C(C)C)CC1 ZINC001664557426 1104444052 /nfs/dbraw/zinc/44/40/52/1104444052.db2.gz CANOVVMWJVUDCG-UHFFFAOYSA-N 1 3 333.520 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](CC=C(C)C)C(C)C)CC1 ZINC001664557426 1104444057 /nfs/dbraw/zinc/44/40/57/1104444057.db2.gz CANOVVMWJVUDCG-UHFFFAOYSA-N 1 3 333.520 2.515 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001665687083 1104751500 /nfs/dbraw/zinc/75/15/00/1104751500.db2.gz WQVOQUMYWCSGMT-IBGZPJMESA-N 1 3 329.488 2.861 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001665687083 1104751505 /nfs/dbraw/zinc/75/15/05/1104751505.db2.gz WQVOQUMYWCSGMT-IBGZPJMESA-N 1 3 329.488 2.861 10 30 EFEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC/C=C/CC)CCCC2)CC1 ZINC001666808863 1104999863 /nfs/dbraw/zinc/99/98/63/1104999863.db2.gz RDGYFNQOXKBBAM-AATRIKPKSA-N 1 3 345.531 2.707 10 30 EFEEHO C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001667307327 1105114004 /nfs/dbraw/zinc/11/40/04/1105114004.db2.gz VIHFFSVZCWYAOT-HXUWFJFHSA-N 1 3 341.499 2.746 10 30 EFEEHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccccc1Cl)N(C)C ZINC001668107696 1105237114 /nfs/dbraw/zinc/23/71/14/1105237114.db2.gz WAKXCQBBMIOYKT-CRAIPNDOSA-N 1 3 349.906 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCCC=C)CC1 ZINC001669987209 1105565421 /nfs/dbraw/zinc/56/54/21/1105565421.db2.gz YDWXVQQWQAEFDJ-WOJBJXKFSA-N 1 3 345.531 2.562 10 30 EFEEHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001670095509 1105580297 /nfs/dbraw/zinc/58/02/97/1105580297.db2.gz NFCGLAFXBWJPAL-MRXNPFEDSA-N 1 3 341.927 2.832 10 30 EFEEHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001670095509 1105580302 /nfs/dbraw/zinc/58/03/02/1105580302.db2.gz NFCGLAFXBWJPAL-MRXNPFEDSA-N 1 3 341.927 2.832 10 30 EFEEHO C=CCC[NH+]1CCC(C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001671429053 1105636111 /nfs/dbraw/zinc/63/61/11/1105636111.db2.gz VQUPNOQJTCIBTJ-LJQANCHMSA-N 1 3 339.499 2.746 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC=C(C)C)C2CCCC2)CC1 ZINC001671570308 1105661100 /nfs/dbraw/zinc/66/11/00/1105661100.db2.gz TXGLUXNQOCHDIY-FQEVSTJZSA-N 1 3 345.531 2.562 10 30 EFEEHO C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001672352688 1105810283 /nfs/dbraw/zinc/81/02/83/1105810283.db2.gz FODBUMNUKGGYEQ-BCDXTJNWSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001672352688 1105810291 /nfs/dbraw/zinc/81/02/91/1105810291.db2.gz FODBUMNUKGGYEQ-BCDXTJNWSA-N 1 3 333.520 2.796 10 30 EFEEHO C=C(C)C[N@H+]1CCc2c(CNC(=O)CN(C)CCC)cccc2C1 ZINC001673079597 1105970840 /nfs/dbraw/zinc/97/08/40/1105970840.db2.gz HAYDKWMHQJXAQM-UHFFFAOYSA-N 1 3 329.488 2.579 10 30 EFEEHO C=C(C)C[N@@H+]1CCc2c(CNC(=O)CN(C)CCC)cccc2C1 ZINC001673079597 1105970844 /nfs/dbraw/zinc/97/08/44/1105970844.db2.gz HAYDKWMHQJXAQM-UHFFFAOYSA-N 1 3 329.488 2.579 10 30 EFEEHO C=CCC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001673136145 1105977093 /nfs/dbraw/zinc/97/70/93/1105977093.db2.gz MCNCSFHJRZIZBG-LJQANCHMSA-N 1 3 329.488 2.909 10 30 EFEEHO CC#CC[NH+]1CCC(CCCCCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001673630002 1106058925 /nfs/dbraw/zinc/05/89/25/1106058925.db2.gz SZKMGVWYKPLLRR-LJQANCHMSA-N 1 3 347.547 2.740 10 30 EFEEHO C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001674429325 1106186570 /nfs/dbraw/zinc/18/65/70/1106186570.db2.gz DUHSMUSNBKRUMG-UYAOXDASSA-N 1 3 343.515 2.912 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001674503948 1106208185 /nfs/dbraw/zinc/20/81/85/1106208185.db2.gz BSCNKEVXGJPZBY-OALUTQOASA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001674503948 1106208188 /nfs/dbraw/zinc/20/81/88/1106208188.db2.gz BSCNKEVXGJPZBY-OALUTQOASA-N 1 3 335.536 2.855 10 30 EFEEHO CC#CC[NH2+]CCC[C@H](NC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001676145095 1106492439 /nfs/dbraw/zinc/49/24/39/1106492439.db2.gz UMURPDHOMLYYNI-IBGZPJMESA-N 1 3 341.499 2.721 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+][C@H](C)CCC=C)C(C)(C)C)CC1 ZINC001677306651 1106694654 /nfs/dbraw/zinc/69/46/54/1106694654.db2.gz MXQRMVHCDQUZHF-MJGOQNOKSA-N 1 3 347.547 2.807 10 30 EFEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC001677307266 1106695552 /nfs/dbraw/zinc/69/55/52/1106695552.db2.gz ZKSZFZPOJAYFHX-ZWKOTPCHSA-N 1 3 335.536 2.641 10 30 EFEEHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)N(C)C)c(F)c1 ZINC001677643456 1106804851 /nfs/dbraw/zinc/80/48/51/1106804851.db2.gz RVCJUFZRMWKGLT-SFHVURJKSA-N 1 3 335.467 2.694 10 30 EFEEHO C=CCC[NH2+]Cc1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)c(F)c1 ZINC001677648216 1106811303 /nfs/dbraw/zinc/81/13/03/1106811303.db2.gz ILNOSWYYBQEZCF-HZPDHXFCSA-N 1 3 347.478 2.980 10 30 EFEEHO C#CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CCN(CC(=C)C)CC1 ZINC001483986733 1112631910 /nfs/dbraw/zinc/63/19/10/1112631910.db2.gz QKHABMAZASWCIE-IBGZPJMESA-N 1 3 345.531 2.611 10 30 EFEEHO C#CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C1CCN(CC(=C)C)CC1 ZINC001483986733 1112631912 /nfs/dbraw/zinc/63/19/12/1112631912.db2.gz QKHABMAZASWCIE-IBGZPJMESA-N 1 3 345.531 2.611 10 30 EFEEHO C#CCN1CCC(C(=O)NCC2(C)CC[NH+](CCCC=C)CC2)CC1 ZINC001484147145 1112825317 /nfs/dbraw/zinc/82/53/17/1112825317.db2.gz NHLAJOCJQDXBCN-UHFFFAOYSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001484558485 1113012158 /nfs/dbraw/zinc/01/21/58/1113012158.db2.gz HHXFOPGULYGEGI-PXNSSMCTSA-N 1 3 341.499 2.850 10 30 EFEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001484561664 1113015026 /nfs/dbraw/zinc/01/50/26/1113015026.db2.gz PHGYFDJESMHHIV-QGZVFWFLSA-N 1 3 339.483 2.605 10 30 EFEEHO CC#CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC001485238863 1118170348 /nfs/dbraw/zinc/17/03/48/1118170348.db2.gz QKYHINHHXAXAJF-UHFFFAOYSA-N 1 3 333.520 2.633 10 30 EFEEHO C#CCC[NH2+]CC1(NC(=O)[C@H](C)N2CCCCCC2)CCCCC1 ZINC001485456923 1118370964 /nfs/dbraw/zinc/37/09/64/1118370964.db2.gz CHFYYKHTAJJVCJ-SFHVURJKSA-N 1 3 333.520 2.683 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC=C(C)C)CC2(C)C)CC1 ZINC000941238223 1118695671 /nfs/dbraw/zinc/69/56/71/1118695671.db2.gz VGBSYESDFWEEGF-LJQANCHMSA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC=C(C)C)CC2(C)C)CC1 ZINC000941238223 1118695674 /nfs/dbraw/zinc/69/56/74/1118695674.db2.gz VGBSYESDFWEEGF-LJQANCHMSA-N 1 3 345.531 2.515 10 30 EFEEHO CN(CCNC(=[NH2+])N[C@H]1CCOc2ccccc21)C1CCCCC1 ZINC000262478919 240356167 /nfs/dbraw/zinc/35/61/67/240356167.db2.gz HRNFRZRVFZGGCT-KRWDZBQOSA-N 1 3 330.476 2.679 10 30 EFEEHO C[NH+]=C(NCC1(N(C)C)CCCCC1)N(C)Cc1csc(C)n1 ZINC000261843947 240326228 /nfs/dbraw/zinc/32/62/28/240326228.db2.gz WQDBOFHOJPUINK-UHFFFAOYSA-N 1 3 337.537 2.723 10 30 EFEEHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000349690466 241874047 /nfs/dbraw/zinc/87/40/47/241874047.db2.gz GEEOMVMCXUAIFE-MDZRGWNJSA-N 1 3 338.455 2.620 10 30 EFEEHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(C#N)CCc2ccccc2)[C@H](C)C1 ZINC000433471363 248064260 /nfs/dbraw/zinc/06/42/60/248064260.db2.gz OFQWBEHFLINWPD-NEWSRXKRSA-N 1 3 327.472 2.948 10 30 EFEEHO CC[N@H+]1CC[C@H](N(C)C(=O)C(C#N)CCc2ccccc2)[C@H](C)C1 ZINC000433471363 248064263 /nfs/dbraw/zinc/06/42/63/248064263.db2.gz OFQWBEHFLINWPD-NEWSRXKRSA-N 1 3 327.472 2.948 10 30 EFEEHO CCN1CC[NH+](C[C@@H](C)CNC(=NC(C)C)c2cccs2)CC1 ZINC000071843656 472581162 /nfs/dbraw/zinc/58/11/62/472581162.db2.gz BLNNHWFEPWLRFH-INIZCTEOSA-N 1 3 336.549 2.766 10 30 EFEEHO COc1ccccc1NC(=[NH2+])NCc1ccccc1OCCN(C)C ZINC000072272527 472643196 /nfs/dbraw/zinc/64/31/96/472643196.db2.gz ZYBQUFZCROKCMN-UHFFFAOYSA-N 1 3 342.443 2.562 10 30 EFEEHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cnc2ccc(C#N)cn12 ZINC000123312957 473126119 /nfs/dbraw/zinc/12/61/19/473126119.db2.gz IWHYHAZNWBBROF-MRXNPFEDSA-N 1 3 325.460 2.950 10 30 EFEEHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cnc2ccc(C#N)cn12 ZINC000123312957 473126125 /nfs/dbraw/zinc/12/61/25/473126125.db2.gz IWHYHAZNWBBROF-MRXNPFEDSA-N 1 3 325.460 2.950 10 30 EFEEHO C=CCOc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000349035425 475898439 /nfs/dbraw/zinc/89/84/39/475898439.db2.gz JFZULZYWZOAUOG-UHFFFAOYSA-N 1 3 331.504 2.709 10 30 EFEEHO C=CCOc1ccccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000354026424 476375046 /nfs/dbraw/zinc/37/50/46/476375046.db2.gz SUHBYKMIAWFZFO-QUCCMNQESA-N 1 3 343.515 2.709 10 30 EFEEHO C=CCOc1ccccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000354026424 476375051 /nfs/dbraw/zinc/37/50/51/476375051.db2.gz SUHBYKMIAWFZFO-QUCCMNQESA-N 1 3 343.515 2.709 10 30 EFEEHO CC1(C)C[C@H](NCC#CC[NH2+][C@H]2CC(C)(C)OC2(C)C)C(C)(C)O1 ZINC000472455646 478015143 /nfs/dbraw/zinc/01/51/43/478015143.db2.gz LMKSTXRWIUDELE-HOTGVXAUSA-N 1 3 336.520 2.861 10 30 EFEEHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594439087 478389669 /nfs/dbraw/zinc/38/96/69/478389669.db2.gz SGNYBJUYBSHFSN-KURKYZTESA-N 1 3 334.508 2.511 10 30 EFEEHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594439087 478389675 /nfs/dbraw/zinc/38/96/75/478389675.db2.gz SGNYBJUYBSHFSN-KURKYZTESA-N 1 3 334.508 2.511 10 30 EFEEHO N#CCCCC[C@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000594440824 478389816 /nfs/dbraw/zinc/38/98/16/478389816.db2.gz CNNUDKNVGGYLJT-ZDUSSCGKSA-N 1 3 328.338 2.514 10 30 EFEEHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594439222 478389881 /nfs/dbraw/zinc/38/98/81/478389881.db2.gz UEGPIILUIDEIJD-VQIMIIECSA-N 1 3 342.487 2.739 10 30 EFEEHO N#Cc1ccc(C2(NCc3cccc4c3CC[NH2+]C4)CCOCC2)cc1 ZINC000600741451 478499881 /nfs/dbraw/zinc/49/98/81/478499881.db2.gz OBRQMNXOUZCQGY-UHFFFAOYSA-N 1 3 347.462 2.999 10 30 EFEEHO N#Cc1ccc2c(c1)[C@@H](NCc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000595066864 478649443 /nfs/dbraw/zinc/64/94/43/478649443.db2.gz FXCHJHUOGIHWGG-IRLDBZIGSA-N 1 3 347.462 2.902 10 30 EFEEHO N#Cc1ccc2c(c1)[C@@H](NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000595066864 478649450 /nfs/dbraw/zinc/64/94/50/478649450.db2.gz FXCHJHUOGIHWGG-IRLDBZIGSA-N 1 3 347.462 2.902 10 30 EFEEHO CN(C)CCC[N@H+](C)CCNc1ccc(C#N)cc1Br ZINC000596423683 479289006 /nfs/dbraw/zinc/28/90/06/479289006.db2.gz ACUZKYATFWNANK-UHFFFAOYSA-N 1 3 339.281 2.616 10 30 EFEEHO CN(C)CCC[N@@H+](C)CCNc1ccc(C#N)cc1Br ZINC000596423683 479289012 /nfs/dbraw/zinc/28/90/12/479289012.db2.gz ACUZKYATFWNANK-UHFFFAOYSA-N 1 3 339.281 2.616 10 30 EFEEHO C=CC[C@@]1(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)CCC[NH2+]1 ZINC000662391674 481780463 /nfs/dbraw/zinc/78/04/63/481780463.db2.gz FDYZBPLVJRIQJX-ICSRJNTNSA-N 1 3 329.488 2.884 10 30 EFEEHO C=CC[C@@H]1CC[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000651693672 481908345 /nfs/dbraw/zinc/90/83/45/481908345.db2.gz ZLCDXLMYBLHEEU-MOPGFXCFSA-N 1 3 328.504 2.928 10 30 EFEEHO C=CC[C@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC000662666877 481923573 /nfs/dbraw/zinc/92/35/73/481923573.db2.gz WXKXTMFYXFVRPD-UYAOXDASSA-N 1 3 327.472 2.638 10 30 EFEEHO C=CC[C@@]1(C(=O)NC2CCN(CCc3ccccc3)CC2)CCC[NH2+]1 ZINC000662672824 481925952 /nfs/dbraw/zinc/92/59/52/481925952.db2.gz FEIUJAXBNJPPAY-NRFANRHFSA-N 1 3 341.499 2.508 10 30 EFEEHO C=CC[C@@]1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662693791 481936742 /nfs/dbraw/zinc/93/67/42/481936742.db2.gz RAXJZNGGVDLBJY-FPOVZHCZSA-N 1 3 341.499 2.713 10 30 EFEEHO C[C@@H]1CN(Cc2ccccc2)CCC1=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753940254 575363394 /nfs/dbraw/zinc/36/33/94/575363394.db2.gz SVBCWBVLQRPHQL-LZQZEXGQSA-N 1 3 339.487 2.744 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001691417532 1248760205 /nfs/dbraw/zinc/76/02/05/1248760205.db2.gz ZWGLBFDIHZLMBX-IBGZPJMESA-N 1 3 329.488 2.861 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001691417532 1248760214 /nfs/dbraw/zinc/76/02/14/1248760214.db2.gz ZWGLBFDIHZLMBX-IBGZPJMESA-N 1 3 329.488 2.861 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)[C@@H](C)c2ccccc2)CC1 ZINC001691056077 1248313719 /nfs/dbraw/zinc/31/37/19/1248313719.db2.gz LUULVBQJIZJBRP-SFHVURJKSA-N 1 3 341.499 2.531 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC)[C@@H](C)c2ccccc2)CC1 ZINC001691056077 1248313729 /nfs/dbraw/zinc/31/37/29/1248313729.db2.gz LUULVBQJIZJBRP-SFHVURJKSA-N 1 3 341.499 2.531 10 30 EFEEHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691075932 1248362616 /nfs/dbraw/zinc/36/26/16/1248362616.db2.gz WCSPCIDSGJQKOY-MOPGFXCFSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC/C=C/CCC)CC1 ZINC001691075530 1248362710 /nfs/dbraw/zinc/36/27/10/1248362710.db2.gz TYXPUYZHUDDRSO-DUIUGDAFSA-N 1 3 345.531 2.611 10 30 EFEEHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC/C=C/CCC)CC1 ZINC001691075530 1248362720 /nfs/dbraw/zinc/36/27/20/1248362720.db2.gz TYXPUYZHUDDRSO-DUIUGDAFSA-N 1 3 345.531 2.611 10 30 EFEEHO C=C(C)C[N@H+](CCC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001691190268 1248518055 /nfs/dbraw/zinc/51/80/55/1248518055.db2.gz CRTCPGDYJSORJY-GOSISDBHSA-N 1 3 327.488 2.603 10 30 EFEEHO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001691190268 1248518069 /nfs/dbraw/zinc/51/80/69/1248518069.db2.gz CRTCPGDYJSORJY-GOSISDBHSA-N 1 3 327.488 2.603 10 30 EFEEHO C=C(C)CC[N@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001691225738 1248551986 /nfs/dbraw/zinc/55/19/86/1248551986.db2.gz NEHSMPSFURXXGV-IBGZPJMESA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(C)CC[N@@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001691225738 1248551988 /nfs/dbraw/zinc/55/19/88/1248551988.db2.gz NEHSMPSFURXXGV-IBGZPJMESA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001691524109 1251311081 /nfs/dbraw/zinc/31/10/81/1251311081.db2.gz YSESEQHQKGAKAV-GPMSIDNRSA-N 1 3 339.499 2.650 10 30 EFEEHO C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCCN1CC ZINC001484401867 1252542952 /nfs/dbraw/zinc/54/29/52/1252542952.db2.gz VTBLGXDOJQWWAU-FQEVSTJZSA-N 1 3 341.499 2.503 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001484411256 1252553105 /nfs/dbraw/zinc/55/31/05/1252553105.db2.gz FMVLCGKUROLZLQ-OKZBNKHCSA-N 1 3 335.536 2.709 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001484411256 1252553111 /nfs/dbraw/zinc/55/31/11/1252553111.db2.gz FMVLCGKUROLZLQ-OKZBNKHCSA-N 1 3 335.536 2.709 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001484414997 1252565157 /nfs/dbraw/zinc/56/51/57/1252565157.db2.gz JSXNPHAVPUGIFZ-OKYOBFRVSA-N 1 3 333.520 2.606 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001484414997 1252565168 /nfs/dbraw/zinc/56/51/68/1252565168.db2.gz JSXNPHAVPUGIFZ-OKYOBFRVSA-N 1 3 333.520 2.606 10 30 EFEEHO C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001670923566 1258702369 /nfs/dbraw/zinc/70/23/69/1258702369.db2.gz NTOTYCOGHBFJHE-QZTJIDSGSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001670923566 1258702375 /nfs/dbraw/zinc/70/23/75/1258702375.db2.gz NTOTYCOGHBFJHE-QZTJIDSGSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](F)CN(CC)CC)C2)C1 ZINC001671038551 1259820644 /nfs/dbraw/zinc/82/06/44/1259820644.db2.gz DTIHHROTLQPARH-IEBWSBKVSA-N 1 3 339.499 2.557 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](F)CN(CC)CC)C2)C1 ZINC001671038551 1259820651 /nfs/dbraw/zinc/82/06/51/1259820651.db2.gz DTIHHROTLQPARH-IEBWSBKVSA-N 1 3 339.499 2.557 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C(F)(F)F ZINC001486451744 1263147074 /nfs/dbraw/zinc/14/70/74/1263147074.db2.gz BIFLCAGVFAMXRM-LSDHHAIUSA-N 1 3 349.441 2.663 10 30 EFEEHO C=C(C)CC[NH2+][C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C(F)(F)F ZINC001486451741 1263147281 /nfs/dbraw/zinc/14/72/81/1263147281.db2.gz BIFLCAGVFAMXRM-CABCVRRESA-N 1 3 349.441 2.663 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000876716942 1290988882 /nfs/dbraw/zinc/98/88/82/1290988882.db2.gz RIUWIQGTYCFZNH-MRXNPFEDSA-N 1 3 339.867 2.816 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000876737690 1290994952 /nfs/dbraw/zinc/99/49/52/1290994952.db2.gz VTOZZZVDOKZAGT-CYBMUJFWSA-N 1 3 346.258 2.689 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000876739843 1290998424 /nfs/dbraw/zinc/99/84/24/1290998424.db2.gz JIGAJIDNENJODE-XHSDSOJGSA-N 1 3 327.900 2.569 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000876739843 1290998428 /nfs/dbraw/zinc/99/84/28/1290998428.db2.gz JIGAJIDNENJODE-XHSDSOJGSA-N 1 3 327.900 2.569 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000876753144 1291007187 /nfs/dbraw/zinc/00/71/87/1291007187.db2.gz BDDVZQXDYSHPCW-OIISXLGYSA-N 1 3 335.879 2.626 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000876753144 1291007197 /nfs/dbraw/zinc/00/71/97/1291007197.db2.gz BDDVZQXDYSHPCW-OIISXLGYSA-N 1 3 335.879 2.626 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000876753146 1291007280 /nfs/dbraw/zinc/00/72/80/1291007280.db2.gz BDDVZQXDYSHPCW-UAGQMJEPSA-N 1 3 335.879 2.626 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000876753146 1291007289 /nfs/dbraw/zinc/00/72/89/1291007289.db2.gz BDDVZQXDYSHPCW-UAGQMJEPSA-N 1 3 335.879 2.626 10 30 EFEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000876885736 1291059230 /nfs/dbraw/zinc/05/92/30/1291059230.db2.gz ZJIODPRUSKGSRU-DOTOQJQBSA-N 1 3 335.879 2.579 10 30 EFEEHO Cc1cc(C#N)cc(C)c1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000930136583 1297237184 /nfs/dbraw/zinc/23/71/84/1297237184.db2.gz NWJDWJOGUYFKML-NQIIRXRSSA-N 1 3 340.515 2.633 10 30 EFEEHO C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001490758715 1299198347 /nfs/dbraw/zinc/19/83/47/1299198347.db2.gz MAWLDEWLFNUGMV-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001490758715 1299198352 /nfs/dbraw/zinc/19/83/52/1299198352.db2.gz MAWLDEWLFNUGMV-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001490792970 1299262720 /nfs/dbraw/zinc/26/27/20/1299262720.db2.gz PNULVYSSPRITPB-ZCNNSNEGSA-N 1 3 347.547 2.974 10 30 EFEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@H]1C)C1CC[NH+](CCC2CC2)CC1 ZINC001278200574 1313781058 /nfs/dbraw/zinc/78/10/58/1313781058.db2.gz NJHZXXBCEVGZNB-QZTJIDSGSA-N 1 3 345.531 2.586 10 30 EFEEHO C[C@H]1CN(CCCC[NH2+]Cc2cc(C#N)ccc2N(C)C)C[C@H](C)O1 ZINC000865472376 1303272491 /nfs/dbraw/zinc/27/24/91/1303272491.db2.gz ZSOLDCRBUCVAFX-IRXDYDNUSA-N 1 3 344.503 2.603 10 30 EFEEHO N#Cc1ccc(N2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000866703040 1303757935 /nfs/dbraw/zinc/75/79/35/1303757935.db2.gz FBAPXCBDDJBVQM-UHFFFAOYSA-N 1 3 332.451 2.526 10 30 EFEEHO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCCCCC)C[C@H]2C1 ZINC001276838999 1311185304 /nfs/dbraw/zinc/18/53/04/1311185304.db2.gz FHQROGDVKCBMPI-UFYCRDLUSA-N 1 3 347.547 2.739 10 30 EFEEHO CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCCCCC)C[C@H]2C1 ZINC001276838999 1311185306 /nfs/dbraw/zinc/18/53/06/1311185306.db2.gz FHQROGDVKCBMPI-UFYCRDLUSA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001277275253 1311905922 /nfs/dbraw/zinc/90/59/22/1311905922.db2.gz PCQJEOPOSADFSR-LJQANCHMSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001277275253 1311905924 /nfs/dbraw/zinc/90/59/24/1311905924.db2.gz PCQJEOPOSADFSR-LJQANCHMSA-N 1 3 347.547 2.997 10 30 EFEEHO CC[C@H](N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1cccc(C#N)c1 ZINC000902922077 1312212577 /nfs/dbraw/zinc/21/25/77/1312212577.db2.gz KACOFRUHPPCSED-OALUTQOASA-N 1 3 344.503 2.691 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001277515992 1312505950 /nfs/dbraw/zinc/50/59/50/1312505950.db2.gz DWLMGWCKGJTFST-FXAWDEMLSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001277515992 1312505954 /nfs/dbraw/zinc/50/59/54/1312505954.db2.gz DWLMGWCKGJTFST-FXAWDEMLSA-N 1 3 333.520 2.750 10 30 EFEEHO C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001278741447 1315640616 /nfs/dbraw/zinc/64/06/16/1315640616.db2.gz OZLYCIGDUIQTKE-HNNXBMFYSA-N 1 3 343.462 2.510 10 30 EFEEHO C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001278741447 1315640617 /nfs/dbraw/zinc/64/06/17/1315640617.db2.gz OZLYCIGDUIQTKE-HNNXBMFYSA-N 1 3 343.462 2.510 10 30 EFEEHO C#CCC[NH2+]C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C(C)(C)C ZINC001279034500 1316086337 /nfs/dbraw/zinc/08/63/37/1316086337.db2.gz MQEITVPZIKAJNZ-GOSISDBHSA-N 1 3 329.488 2.506 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]CC2CCCCCC2)CC1 ZINC001318607572 1328651232 /nfs/dbraw/zinc/65/12/32/1328651232.db2.gz PZSDIAOOSZARFC-FQEVSTJZSA-N 1 3 347.547 2.786 10 30 EFEEHO C#CCN1CCC2(C[C@@H](C)N(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001264497444 1316620731 /nfs/dbraw/zinc/62/07/31/1316620731.db2.gz VTWYGSCSLKXHSI-LJQANCHMSA-N 1 3 345.531 2.589 10 30 EFEEHO C=C(C)CC[N@H+](CC)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001265134389 1316731795 /nfs/dbraw/zinc/73/17/95/1316731795.db2.gz SNIUYNCPEKWFPI-IBGZPJMESA-N 1 3 341.515 2.993 10 30 EFEEHO C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001265134389 1316731798 /nfs/dbraw/zinc/73/17/98/1316731798.db2.gz SNIUYNCPEKWFPI-IBGZPJMESA-N 1 3 341.515 2.993 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@]2(C[NH2+]CCCC)CCCC[C@H]2C)CC1 ZINC001318760733 1328691729 /nfs/dbraw/zinc/69/17/29/1328691729.db2.gz TVNBSKNLNILDLZ-WIYYLYMNSA-N 1 3 347.547 2.786 10 30 EFEEHO C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001280890216 1317883086 /nfs/dbraw/zinc/88/30/86/1317883086.db2.gz VNZJZTPPKJOLFQ-VQTJNVASSA-N 1 3 345.531 2.589 10 30 EFEEHO C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001282833497 1319150303 /nfs/dbraw/zinc/15/03/03/1319150303.db2.gz LCWIBAVXLIDAOT-QZTJIDSGSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001282833497 1319150309 /nfs/dbraw/zinc/15/03/09/1319150309.db2.gz LCWIBAVXLIDAOT-QZTJIDSGSA-N 1 3 335.536 2.900 10 30 EFEEHO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCCCCC)C[C@@]2(C)C1 ZINC001282993445 1319246528 /nfs/dbraw/zinc/24/65/28/1319246528.db2.gz YPECAUHFHGHSLB-OYRHEFFESA-N 1 3 347.547 2.692 10 30 EFEEHO CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCCCCC)C[C@@]2(C)C1 ZINC001282993445 1319246538 /nfs/dbraw/zinc/24/65/38/1319246538.db2.gz YPECAUHFHGHSLB-OYRHEFFESA-N 1 3 347.547 2.692 10 30 EFEEHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C ZINC001320609528 1329177114 /nfs/dbraw/zinc/17/71/14/1329177114.db2.gz UKVJZSOPCTXJTB-QAPCUYQASA-N 1 3 349.906 2.516 10 30 EFEEHO CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001317099807 1325563924 /nfs/dbraw/zinc/56/39/24/1325563924.db2.gz JVMBDHUFQUZJTL-WOJBJXKFSA-N 1 3 345.531 2.589 10 30 EFEEHO C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001317191623 1327711252 /nfs/dbraw/zinc/71/12/52/1327711252.db2.gz IPHSGXBGLGJEHM-QFBILLFUSA-N 1 3 339.499 2.746 10 30 EFEEHO CCCN(C)CC(=O)NCC[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001317411102 1327960635 /nfs/dbraw/zinc/96/06/35/1327960635.db2.gz BKEWKGFPKOYNRB-MRXNPFEDSA-N 1 3 349.906 2.518 10 30 EFEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317436613 1328025553 /nfs/dbraw/zinc/02/55/53/1328025553.db2.gz ZCGCEKKTOGRLCX-HOTGVXAUSA-N 1 3 329.916 2.686 10 30 EFEEHO C#CCN1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](CC=C(C)C)C2)CC1 ZINC001317770735 1328367937 /nfs/dbraw/zinc/36/79/37/1328367937.db2.gz ATIOLEDHWRWJNM-FQEVSTJZSA-N 1 3 345.531 2.611 10 30 EFEEHO C#CCN1CCC(C(=O)N(CCC)[C@H]2CC[N@@H+](CC=C(C)C)C2)CC1 ZINC001317770735 1328367943 /nfs/dbraw/zinc/36/79/43/1328367943.db2.gz ATIOLEDHWRWJNM-FQEVSTJZSA-N 1 3 345.531 2.611 10 30 EFEEHO C#CCN(C(=O)CN1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCCC=C)CC1 ZINC001324440673 1329627886 /nfs/dbraw/zinc/62/78/86/1329627886.db2.gz FBHHOEOIOUWMDE-OALUTQOASA-N 1 3 345.531 2.752 10 30 EFEEHO C=CCN1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001325942808 1329726933 /nfs/dbraw/zinc/72/69/33/1329726933.db2.gz OSWVGAWNSKIXSC-PKOBYXMFSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCN1C[C@@H]2CCCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001325942808 1329726934 /nfs/dbraw/zinc/72/69/34/1329726934.db2.gz OSWVGAWNSKIXSC-PKOBYXMFSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCCCCC[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001326598479 1330324791 /nfs/dbraw/zinc/32/47/91/1330324791.db2.gz JORVCUHYIFACPS-LJQANCHMSA-N 1 3 347.547 2.999 10 30 EFEEHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001327540198 1330496671 /nfs/dbraw/zinc/49/66/71/1330496671.db2.gz HDFCMLLVGVHNIZ-OAQYLSRUSA-N 1 3 345.531 2.590 10 30 EFEEHO C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001328588876 1330606464 /nfs/dbraw/zinc/60/64/64/1330606464.db2.gz ODHPFJXOXUZZRJ-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001328588876 1330606466 /nfs/dbraw/zinc/60/64/66/1330606466.db2.gz ODHPFJXOXUZZRJ-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC001331175883 1330802212 /nfs/dbraw/zinc/80/22/12/1330802212.db2.gz DPGYHCMPHCSGKS-UXHICEINSA-N 1 3 341.499 2.720 10 30 EFEEHO C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001331559416 1330852331 /nfs/dbraw/zinc/85/23/31/1330852331.db2.gz FFPKMBHIEOQZPG-MAUKXSAKSA-N 1 3 327.488 2.602 10 30 EFEEHO C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]21 ZINC001332151110 1330929096 /nfs/dbraw/zinc/92/90/96/1330929096.db2.gz YGZKHFCVIUGITK-RCCFBDPRSA-N 1 3 335.536 2.757 10 30 EFEEHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC001332424718 1330970480 /nfs/dbraw/zinc/97/04/80/1330970480.db2.gz UYPALISRTKFPPB-DNVCBOLYSA-N 1 3 339.499 2.602 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001480272688 1333516720 /nfs/dbraw/zinc/51/67/20/1333516720.db2.gz YAMPXVSSUYSYHL-VOFKWLDRSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC/C=C\CC)C2)CC1 ZINC001480272688 1333516725 /nfs/dbraw/zinc/51/67/25/1333516725.db2.gz YAMPXVSSUYSYHL-VOFKWLDRSA-N 1 3 345.531 2.516 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001367161384 1338460406 /nfs/dbraw/zinc/46/04/06/1338460406.db2.gz QHKHTVYVYVTPNY-JKSUJKDBSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001367321175 1338618607 /nfs/dbraw/zinc/61/86/07/1338618607.db2.gz DFLMVHCCGSYGAD-CVEARBPZSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001367321175 1338618609 /nfs/dbraw/zinc/61/86/09/1338618609.db2.gz DFLMVHCCGSYGAD-CVEARBPZSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNCC1CC(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001368816644 1339756270 /nfs/dbraw/zinc/75/62/70/1339756270.db2.gz PTPQNUYYHBSDPA-UHFFFAOYSA-N 1 3 341.927 2.735 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001374178937 1341518788 /nfs/dbraw/zinc/51/87/88/1341518788.db2.gz GTZPBNMJZZSKEH-INIZCTEOSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001374437751 1341921230 /nfs/dbraw/zinc/92/12/30/1341921230.db2.gz DSGNZWXPAHGYFA-JKSUJKDBSA-N 1 3 329.916 2.732 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001374437751 1341921234 /nfs/dbraw/zinc/92/12/34/1341921234.db2.gz DSGNZWXPAHGYFA-JKSUJKDBSA-N 1 3 329.916 2.732 10 30 EFEEHO C=C(Cl)C[NH2+]C[C@]1(NC(=O)CN(C)C(C)C)CCCC[C@@H]1C ZINC001391812060 1355554993 /nfs/dbraw/zinc/55/49/93/1355554993.db2.gz QNMRYDIXLAOHHR-WMLDXEAASA-N 1 3 329.916 2.734 10 30 EFEEHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001403525547 1364731416 /nfs/dbraw/zinc/73/14/16/1364731416.db2.gz LCUILOAMMCYUPW-DLBZAZTESA-N 1 3 341.927 2.828 10 30 EFEEHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001403525547 1364731423 /nfs/dbraw/zinc/73/14/23/1364731423.db2.gz LCUILOAMMCYUPW-DLBZAZTESA-N 1 3 341.927 2.828 10 30 EFEEHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001417837043 1373316830 /nfs/dbraw/zinc/31/68/30/1373316830.db2.gz JBCSVTJFJNSMRA-KRWDZBQOSA-N 1 3 341.927 2.976 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001506870527 1406389507 /nfs/dbraw/zinc/38/95/07/1406389507.db2.gz QSLKSMIDJKIGOL-YSIASYRMSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C(C)C)C[C@@]2(C)C1 ZINC001506870527 1406389515 /nfs/dbraw/zinc/38/95/15/1406389515.db2.gz QSLKSMIDJKIGOL-YSIASYRMSA-N 1 3 335.536 2.852 10 30 EFEEHO C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)CN1CC[C@H](C)C1)C(C)C ZINC001448217907 1392025237 /nfs/dbraw/zinc/02/52/37/1392025237.db2.gz PAPZIGHZOOQZSN-GOEBONIOSA-N 1 3 329.916 2.543 10 30 EFEEHO C#Cc1ccc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC001473193540 1397289227 /nfs/dbraw/zinc/28/92/27/1397289227.db2.gz WEZWQGAZJVGKRL-LJQANCHMSA-N 1 3 327.472 2.803 10 30 EFEEHO C#Cc1ccc(NC(=O)CC[N@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC001473193540 1397289228 /nfs/dbraw/zinc/28/92/28/1397289228.db2.gz WEZWQGAZJVGKRL-LJQANCHMSA-N 1 3 327.472 2.803 10 30 EFEEHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001480665958 1398272115 /nfs/dbraw/zinc/27/21/15/1398272115.db2.gz QKZVQPFCQKOTBI-LPHOPBHVSA-N 1 3 339.499 2.603 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)CC2CCC(C)CC2)CC1 ZINC001493062342 1398406050 /nfs/dbraw/zinc/40/60/50/1398406050.db2.gz NINRNLYHJBWXCP-UHFFFAOYSA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC)CC2CCC(C)CC2)CC1 ZINC001493062342 1398406055 /nfs/dbraw/zinc/40/60/55/1398406055.db2.gz NINRNLYHJBWXCP-UHFFFAOYSA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC/C=C\CCC)C2)CC1 ZINC001493266345 1398575002 /nfs/dbraw/zinc/57/50/02/1398575002.db2.gz FGHHZWZSLBRAMR-RURPWVQCSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](CC/C=C\CCC)C2)CC1 ZINC001493266345 1398575005 /nfs/dbraw/zinc/57/50/05/1398575005.db2.gz FGHHZWZSLBRAMR-RURPWVQCSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CCC)CCC(C)(C)C)CC1 ZINC001493334708 1398621236 /nfs/dbraw/zinc/62/12/36/1398621236.db2.gz XXHQPUHZXANAFD-UHFFFAOYSA-N 1 3 335.536 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@H+](CCC)CCC(C)(C)C)CC1 ZINC001493334708 1398621238 /nfs/dbraw/zinc/62/12/38/1398621238.db2.gz XXHQPUHZXANAFD-UHFFFAOYSA-N 1 3 335.536 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCCCC)[C@@H]2C)CC1 ZINC001507388839 1407001010 /nfs/dbraw/zinc/00/10/10/1407001010.db2.gz VDGHMCVPSXRXPD-UYAOXDASSA-N 1 3 347.547 2.881 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCCCC)[C@@H]2C)CC1 ZINC001507388839 1407001011 /nfs/dbraw/zinc/00/10/11/1407001011.db2.gz VDGHMCVPSXRXPD-UYAOXDASSA-N 1 3 347.547 2.881 10 30 EFEEHO C=CCCC[NH2+]C[C@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@@H]1C ZINC001495327866 1399855412 /nfs/dbraw/zinc/85/54/12/1399855412.db2.gz WVNKUOVXBISSOD-HNAYVOBHSA-N 1 3 332.492 2.882 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001495598823 1400106858 /nfs/dbraw/zinc/10/68/58/1400106858.db2.gz LGZCJFGOZRWQDV-MSOLQXFVSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001495598823 1400106860 /nfs/dbraw/zinc/10/68/60/1400106860.db2.gz LGZCJFGOZRWQDV-MSOLQXFVSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001496288256 1400604309 /nfs/dbraw/zinc/60/43/09/1400604309.db2.gz LQQWSDKAWWSXNL-VQIMIIECSA-N 1 3 341.515 2.896 10 30 EFEEHO C=CCC[N@@H+](C)CCC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001496510818 1400786469 /nfs/dbraw/zinc/78/64/69/1400786469.db2.gz MLRUJEPFZZSHBO-UHFFFAOYSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCC[N@H+](C)CCC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001496510818 1400786470 /nfs/dbraw/zinc/78/64/70/1400786470.db2.gz MLRUJEPFZZSHBO-UHFFFAOYSA-N 1 3 335.536 2.855 10 30 EFEEHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001497329280 1401306109 /nfs/dbraw/zinc/30/61/09/1401306109.db2.gz ANAHPVJAWYDCSV-MRXNPFEDSA-N 1 3 349.906 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+][C@H](C)c2ccccc2)CC1 ZINC001497331635 1401307884 /nfs/dbraw/zinc/30/78/84/1401307884.db2.gz MXXUMXMGFOXJMC-ZWKOTPCHSA-N 1 3 341.499 2.577 10 30 EFEEHO C=CCC[NH+]1CCC2(CCN(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001499584619 1402700643 /nfs/dbraw/zinc/70/06/43/1402700643.db2.gz HZKSHODPKIETPL-UHFFFAOYSA-N 1 3 335.536 2.855 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CCCN1C(C)C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001500037226 1402908552 /nfs/dbraw/zinc/90/85/52/1402908552.db2.gz CJABPPIILKRRGN-ICSRJNTNSA-N 1 3 347.547 2.832 10 30 EFEEHO C#CCN(C(=O)CCCC[NH+](C)C)C1CCN(CC=C(C)C)CC1 ZINC001500053614 1402915216 /nfs/dbraw/zinc/91/52/16/1402915216.db2.gz AQMLQXPEXGVUGG-UHFFFAOYSA-N 1 3 333.520 2.611 10 30 EFEEHO C#CCN(C(=O)CC[NH+]1CCCCC1)C1CCN(CC=C(C)C)CC1 ZINC001500057952 1402916610 /nfs/dbraw/zinc/91/66/10/1402916610.db2.gz QSJJWVSOCVVFPT-UHFFFAOYSA-N 1 3 345.531 2.755 10 30 EFEEHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001500160908 1402962708 /nfs/dbraw/zinc/96/27/08/1402962708.db2.gz GHUOAUSOGCBOKV-OAQYLSRUSA-N 1 3 345.531 2.590 10 30 EFEEHO C#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001500519398 1403190014 /nfs/dbraw/zinc/19/00/14/1403190014.db2.gz NWNDLVDPHWZGPJ-PZJWPPBQSA-N 1 3 345.531 2.635 10 30 EFEEHO C#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001500519398 1403190019 /nfs/dbraw/zinc/19/00/19/1403190019.db2.gz NWNDLVDPHWZGPJ-PZJWPPBQSA-N 1 3 345.531 2.635 10 30 EFEEHO CC#CCN1C[C@@H]2CCCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001501419914 1403598389 /nfs/dbraw/zinc/59/83/89/1403598389.db2.gz VDMGKQFYZXKVQU-AZUAARDMSA-N 1 3 345.531 2.587 10 30 EFEEHO CC#CCN1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001501419914 1403598391 /nfs/dbraw/zinc/59/83/91/1403598391.db2.gz VDMGKQFYZXKVQU-AZUAARDMSA-N 1 3 345.531 2.587 10 30 EFEEHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001502545575 1404235578 /nfs/dbraw/zinc/23/55/78/1404235578.db2.gz CYAXYPOEGFNQCW-HXUWFJFHSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001502545575 1404235583 /nfs/dbraw/zinc/23/55/83/1404235583.db2.gz CYAXYPOEGFNQCW-HXUWFJFHSA-N 1 3 335.536 2.855 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CC2CCC(C)CC2)CC1 ZINC001506065176 1405425284 /nfs/dbraw/zinc/42/52/84/1405425284.db2.gz KUZIYNHLYFZAEK-XBMUEBEBSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC2CCC(C)CC2)CC1 ZINC001506065176 1405425288 /nfs/dbraw/zinc/42/52/88/1405425288.db2.gz KUZIYNHLYFZAEK-XBMUEBEBSA-N 1 3 347.547 2.594 10 30 EFEEHO C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](F)CN(CC)CC)C2)CC1 ZINC001565922791 1415154343 /nfs/dbraw/zinc/15/43/43/1415154343.db2.gz STBTUIPEZKVNRZ-SJORKVTESA-N 1 3 339.499 2.555 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001565923200 1415450517 /nfs/dbraw/zinc/45/05/17/1415450517.db2.gz WPZOGOMBCBASAE-ZWKOTPCHSA-N 1 3 333.520 2.750 10 30 EFEEHO C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)CCCCCC)C(C)(C)[C@H]21 ZINC001565995006 1415474688 /nfs/dbraw/zinc/47/46/88/1415474688.db2.gz NCWHZJPRKJLUBD-HOJAQTOUSA-N 1 3 347.547 2.737 10 30 EFEEHO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)CCCCCC)C(C)(C)[C@H]21 ZINC001565995006 1415474692 /nfs/dbraw/zinc/47/46/92/1415474692.db2.gz NCWHZJPRKJLUBD-HOJAQTOUSA-N 1 3 347.547 2.737 10 30 EFEEHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001566757946 1415765401 /nfs/dbraw/zinc/76/54/01/1415765401.db2.gz VBNWZJBOTAFQFX-KDURUIRLSA-N 1 3 333.520 2.748 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001567081878 1415927878 /nfs/dbraw/zinc/92/78/78/1415927878.db2.gz CZGVALJVDNSMAW-XLIONFOSSA-N 1 3 341.499 2.577 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCC(C)C)C2)CC1 ZINC001567178993 1415973674 /nfs/dbraw/zinc/97/36/74/1415973674.db2.gz ULDAIYIKDOETPS-VQTJNVASSA-N 1 3 347.547 2.785 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001567386212 1416107154 /nfs/dbraw/zinc/10/71/54/1416107154.db2.gz CNZRBLGTMJXOFP-IBGZPJMESA-N 1 3 329.488 2.909 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001567386212 1416107160 /nfs/dbraw/zinc/10/71/60/1416107160.db2.gz CNZRBLGTMJXOFP-IBGZPJMESA-N 1 3 329.488 2.909 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001567660387 1416234812 /nfs/dbraw/zinc/23/48/12/1416234812.db2.gz ZTSXYBNAOOCWJS-LJQANCHMSA-N 1 3 341.499 2.886 10 30 EFEEHO C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001568067764 1416391215 /nfs/dbraw/zinc/39/12/15/1416391215.db2.gz ILBFEOJJIRYZHB-QFBILLFUSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001568131837 1416421804 /nfs/dbraw/zinc/42/18/04/1416421804.db2.gz XGVAXNFLJXHUHK-OAHLLOKOSA-N 1 3 332.492 2.834 10 30 EFEEHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001690208525 1417174026 /nfs/dbraw/zinc/17/40/26/1417174026.db2.gz NOUBAMMCIFUNFE-KDURUIRLSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001690208525 1417174032 /nfs/dbraw/zinc/17/40/32/1417174032.db2.gz NOUBAMMCIFUNFE-KDURUIRLSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)c1ccccc1 ZINC001691791894 1417247878 /nfs/dbraw/zinc/24/78/78/1417247878.db2.gz JKMFLAIQJJOPAR-RBUKOAKNSA-N 1 3 329.488 2.742 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC001691791894 1417247884 /nfs/dbraw/zinc/24/78/84/1417247884.db2.gz JKMFLAIQJJOPAR-RBUKOAKNSA-N 1 3 329.488 2.742 10 30 EFEEHO C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001699674428 1417447878 /nfs/dbraw/zinc/44/78/78/1417447878.db2.gz WAJPJAXOAIANBZ-WOJBJXKFSA-N 1 3 345.531 2.589 10 30 EFEEHO C=CCC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)C1CCCCCC1 ZINC001699684802 1417451447 /nfs/dbraw/zinc/45/14/47/1417451447.db2.gz RVNJQNBIIXNBEM-UHFFFAOYSA-N 1 3 332.492 2.978 10 30 EFEEHO C=CCC[N@H+](CCNC(=O)Cc1nc[nH]c1C)C1CCCCCC1 ZINC001699684802 1417451450 /nfs/dbraw/zinc/45/14/50/1417451450.db2.gz RVNJQNBIIXNBEM-UHFFFAOYSA-N 1 3 332.492 2.978 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001699929799 1417510890 /nfs/dbraw/zinc/51/08/90/1417510890.db2.gz AJPLHINJJYOCGA-FXAWDEMLSA-N 1 3 343.515 2.914 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001699929799 1417510893 /nfs/dbraw/zinc/51/08/93/1417510893.db2.gz AJPLHINJJYOCGA-FXAWDEMLSA-N 1 3 343.515 2.914 10 30 EFEEHO C=CCN1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001700863994 1417666142 /nfs/dbraw/zinc/66/61/42/1417666142.db2.gz CLIQXYDLGVZGSZ-XLIONFOSSA-N 1 3 333.520 2.798 10 30 EFEEHO C=CCC[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001713246732 1418415273 /nfs/dbraw/zinc/41/52/73/1418415273.db2.gz SKPVTGDVGFCMKE-SFHVURJKSA-N 1 3 329.488 2.766 10 30 EFEEHO C=C(Cl)CNCCc1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001713386864 1418501201 /nfs/dbraw/zinc/50/12/01/1418501201.db2.gz QDQCWVZZNBLIJG-GOSISDBHSA-N 1 3 349.906 2.529 10 30 EFEEHO C=C(Cl)CNCCc1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001713386864 1418501203 /nfs/dbraw/zinc/50/12/03/1418501203.db2.gz QDQCWVZZNBLIJG-GOSISDBHSA-N 1 3 349.906 2.529 10 30 EFEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC3CCCCCC3)CC2)CC1 ZINC001716700582 1418961880 /nfs/dbraw/zinc/96/18/80/1418961880.db2.gz JAWZCDGIKGDXTF-UHFFFAOYSA-N 1 3 345.531 2.540 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001716703827 1418962838 /nfs/dbraw/zinc/96/28/38/1418962838.db2.gz HVEIPPCGNQCSAQ-LJQANCHMSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001716703827 1418962841 /nfs/dbraw/zinc/96/28/41/1418962841.db2.gz HVEIPPCGNQCSAQ-LJQANCHMSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001716706523 1418965391 /nfs/dbraw/zinc/96/53/91/1418965391.db2.gz QSJLEAKWFZGOQD-RTBURBONSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001716706523 1418965389 /nfs/dbraw/zinc/96/53/89/1418965389.db2.gz QSJLEAKWFZGOQD-RTBURBONSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001716706521 1418965550 /nfs/dbraw/zinc/96/55/50/1418965550.db2.gz QSJLEAKWFZGOQD-RBUKOAKNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001716706521 1418965553 /nfs/dbraw/zinc/96/55/53/1418965553.db2.gz QSJLEAKWFZGOQD-RBUKOAKNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001716706322 1418965768 /nfs/dbraw/zinc/96/57/68/1418965768.db2.gz NRXISSBOSCANIC-FUHWJXTLSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001716706322 1418965769 /nfs/dbraw/zinc/96/57/69/1418965769.db2.gz NRXISSBOSCANIC-FUHWJXTLSA-N 1 3 330.476 2.621 10 30 EFEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCC(C)C)CC1 ZINC001716811662 1419024825 /nfs/dbraw/zinc/02/48/25/1419024825.db2.gz IATAJHJNEQJRFV-KDURUIRLSA-N 1 3 347.547 2.832 10 30 EFEEHO C#CCN(C(=O)CCC[NH+]1CCCC1)C1CCN(CC=C(C)C)CC1 ZINC001716812053 1419025193 /nfs/dbraw/zinc/02/51/93/1419025193.db2.gz XTQPVCLBEXYGMS-UHFFFAOYSA-N 1 3 345.531 2.755 10 30 EFEEHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001716998121 1419134006 /nfs/dbraw/zinc/13/40/06/1419134006.db2.gz IZUPCVDLJMYEAX-BCDXTJNWSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001716998121 1419134011 /nfs/dbraw/zinc/13/40/11/1419134011.db2.gz IZUPCVDLJMYEAX-BCDXTJNWSA-N 1 3 333.520 2.796 10 30 EFEEHO CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001717001491 1419137377 /nfs/dbraw/zinc/13/73/77/1419137377.db2.gz CQCWYVVPOHEWLW-WGSAOQKQSA-N 1 3 347.547 2.786 10 30 EFEEHO C=CC[NH2+]CCN(Cc1ccccc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC001717006340 1419142376 /nfs/dbraw/zinc/14/23/76/1419142376.db2.gz LBZGSKXLZQFFKQ-QZTJIDSGSA-N 1 3 329.488 2.664 10 30 EFEEHO CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001717036507 1419169285 /nfs/dbraw/zinc/16/92/85/1419169285.db2.gz URKWCMLTFACUSO-PMACEKPBSA-N 1 3 345.531 2.730 10 30 EFEEHO CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001717036507 1419169289 /nfs/dbraw/zinc/16/92/89/1419169289.db2.gz URKWCMLTFACUSO-PMACEKPBSA-N 1 3 345.531 2.730 10 30 EFEEHO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001717537521 1419433832 /nfs/dbraw/zinc/43/38/32/1419433832.db2.gz GLOXTIYQTFTJML-DLBZAZTESA-N 1 3 327.488 2.603 10 30 EFEEHO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001717537521 1419433834 /nfs/dbraw/zinc/43/38/34/1419433834.db2.gz GLOXTIYQTFTJML-DLBZAZTESA-N 1 3 327.488 2.603 10 30 EFEEHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)C[C@H]1C(F)(F)F ZINC001717909511 1419615274 /nfs/dbraw/zinc/61/52/74/1419615274.db2.gz RRBDTXKRSBDVOP-LSDHHAIUSA-N 1 3 349.441 2.521 10 30 EFEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001723450970 1424499830 /nfs/dbraw/zinc/49/98/30/1424499830.db2.gz MDEDEPCOUYFNJM-RBUKOAKNSA-N 1 3 333.520 2.940 10 30 EFEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001723450970 1424499833 /nfs/dbraw/zinc/49/98/33/1424499833.db2.gz MDEDEPCOUYFNJM-RBUKOAKNSA-N 1 3 333.520 2.940 10 30 EFEEHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](F)CN(CC)CC)C2 ZINC001724125273 1424666682 /nfs/dbraw/zinc/66/66/82/1424666682.db2.gz CDLWVYMXYCDAMO-PKOBYXMFSA-N 1 3 339.499 2.557 10 30 EFEEHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](F)CN(CC)CC)C2 ZINC001724125273 1424666688 /nfs/dbraw/zinc/66/66/88/1424666688.db2.gz CDLWVYMXYCDAMO-PKOBYXMFSA-N 1 3 339.499 2.557 10 30 EFEEHO CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001724126746 1424668135 /nfs/dbraw/zinc/66/81/35/1424668135.db2.gz WTBOCJDKSFSCQL-OAQYLSRUSA-N 1 3 347.547 2.692 10 30 EFEEHO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001724126746 1424668139 /nfs/dbraw/zinc/66/81/39/1424668139.db2.gz WTBOCJDKSFSCQL-OAQYLSRUSA-N 1 3 347.547 2.692 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001724511105 1424776237 /nfs/dbraw/zinc/77/62/37/1424776237.db2.gz FWDXKBXQXQMZJP-MJGOQNOKSA-N 1 3 329.488 2.524 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001724511105 1424776241 /nfs/dbraw/zinc/77/62/41/1424776241.db2.gz FWDXKBXQXQMZJP-MJGOQNOKSA-N 1 3 329.488 2.524 10 30 EFEEHO C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001724564995 1424799559 /nfs/dbraw/zinc/79/95/59/1424799559.db2.gz WFCWMMCCDAXZRY-LPHOPBHVSA-N 1 3 329.488 2.765 10 30 EFEEHO C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001724621953 1424847474 /nfs/dbraw/zinc/84/74/74/1424847474.db2.gz DHHOTJYXQWIMPV-HDICACEKSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001724621953 1424847478 /nfs/dbraw/zinc/84/74/78/1424847478.db2.gz DHHOTJYXQWIMPV-HDICACEKSA-N 1 3 333.520 2.607 10 30 EFEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001724749569 1424979065 /nfs/dbraw/zinc/97/90/65/1424979065.db2.gz NONWXFFOKOQEEG-XLIONFOSSA-N 1 3 341.499 2.850 10 30 EFEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001724749569 1424979068 /nfs/dbraw/zinc/97/90/68/1424979068.db2.gz NONWXFFOKOQEEG-XLIONFOSSA-N 1 3 341.499 2.850 10 30 EFEEHO CC#CC[NH+]1CCC(CCCCCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001724891594 1425105272 /nfs/dbraw/zinc/10/52/72/1425105272.db2.gz CCIGIQXUEYIRTL-UHFFFAOYSA-N 1 3 347.547 2.883 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC001724997970 1425209002 /nfs/dbraw/zinc/20/90/02/1425209002.db2.gz BLDACGAKVDQZBL-WBVHZDCISA-N 1 3 332.492 2.976 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@H]1C ZINC001724997970 1425209006 /nfs/dbraw/zinc/20/90/06/1425209006.db2.gz BLDACGAKVDQZBL-WBVHZDCISA-N 1 3 332.492 2.976 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001725032144 1425241311 /nfs/dbraw/zinc/24/13/11/1425241311.db2.gz BLKXMQQDTWUTAQ-GUDVDZBRSA-N 1 3 329.488 2.665 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@@H]([NH2+]CC2CCCC2)C(C)C)CC1 ZINC001725447498 1425587253 /nfs/dbraw/zinc/58/72/53/1425587253.db2.gz SBNVOBQFBLHDNU-HXUWFJFHSA-N 1 3 347.547 2.642 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000908210433 727132411 /nfs/dbraw/zinc/13/24/11/727132411.db2.gz AXBRCAVZNJAEAM-LJQANCHMSA-N 1 3 347.503 2.701 10 30 EFEEHO CC#CCN1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941236966 727925746 /nfs/dbraw/zinc/92/57/46/727925746.db2.gz DPYICNPDPBOBCP-LJQANCHMSA-N 1 3 341.499 2.602 10 30 EFEEHO C=CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801942 728252001 /nfs/dbraw/zinc/25/20/01/728252001.db2.gz ZZAAYLSMQOXKNY-ROUUACIJSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801942 728252005 /nfs/dbraw/zinc/25/20/05/728252005.db2.gz ZZAAYLSMQOXKNY-ROUUACIJSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001569621057 1085447815 /nfs/dbraw/zinc/44/78/15/1085447815.db2.gz ACMQGBBGFQBBHP-ICSRJNTNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001569621057 1085447818 /nfs/dbraw/zinc/44/78/18/1085447818.db2.gz ACMQGBBGFQBBHP-ICSRJNTNSA-N 1 3 335.536 2.997 10 30 EFEEHO CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001570033208 1085886125 /nfs/dbraw/zinc/88/61/25/1085886125.db2.gz OMXNQNDFPXKPCI-FXAWDEMLSA-N 1 3 341.499 2.851 10 30 EFEEHO C=CCC[N@H+]1Cc2ccc(CNC(=O)CN(C)C3CCC3)cc2C1 ZINC001570312509 1086142501 /nfs/dbraw/zinc/14/25/01/1086142501.db2.gz FMNVBDIVWWQVKO-UHFFFAOYSA-N 1 3 327.472 2.679 10 30 EFEEHO C=CCC[N@@H+]1Cc2ccc(CNC(=O)CN(C)C3CCC3)cc2C1 ZINC001570312509 1086142506 /nfs/dbraw/zinc/14/25/06/1086142506.db2.gz FMNVBDIVWWQVKO-UHFFFAOYSA-N 1 3 327.472 2.679 10 30 EFEEHO C=CCCC[NH2+]CC1CC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001570572183 1086375162 /nfs/dbraw/zinc/37/51/62/1086375162.db2.gz VZDMUVGNWILHOF-LADRWXRNSA-N 1 3 339.499 2.650 10 30 EFEEHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001570641510 1086429780 /nfs/dbraw/zinc/42/97/80/1086429780.db2.gz MTNTWQKYPFJCHV-HOTGVXAUSA-N 1 3 349.906 2.516 10 30 EFEEHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC001570641510 1086429782 /nfs/dbraw/zinc/42/97/82/1086429782.db2.gz MTNTWQKYPFJCHV-HOTGVXAUSA-N 1 3 349.906 2.516 10 30 EFEEHO C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001571016352 1086642005 /nfs/dbraw/zinc/64/20/05/1086642005.db2.gz SJUZWUHCUSTOEX-KSZLIROESA-N 1 3 333.520 2.654 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001571016352 1086642011 /nfs/dbraw/zinc/64/20/11/1086642011.db2.gz SJUZWUHCUSTOEX-KSZLIROESA-N 1 3 333.520 2.654 10 30 EFEEHO C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001571016355 1086642604 /nfs/dbraw/zinc/64/26/04/1086642604.db2.gz SJUZWUHCUSTOEX-RCCFBDPRSA-N 1 3 333.520 2.654 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001571016355 1086642607 /nfs/dbraw/zinc/64/26/07/1086642607.db2.gz SJUZWUHCUSTOEX-RCCFBDPRSA-N 1 3 333.520 2.654 10 30 EFEEHO C=CCN1CCCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001571039295 1086653221 /nfs/dbraw/zinc/65/32/21/1086653221.db2.gz OYVBCZBIYQGJGP-UHFFFAOYSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCN1CCCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001571039295 1086653224 /nfs/dbraw/zinc/65/32/24/1086653224.db2.gz OYVBCZBIYQGJGP-UHFFFAOYSA-N 1 3 333.520 2.751 10 30 EFEEHO CCCCCCC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001571043788 1086653810 /nfs/dbraw/zinc/65/38/10/1086653810.db2.gz MHIWAYZTQSVSBK-UHFFFAOYSA-N 1 3 332.492 2.847 10 30 EFEEHO CCCCCCC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001571043788 1086653812 /nfs/dbraw/zinc/65/38/12/1086653812.db2.gz MHIWAYZTQSVSBK-UHFFFAOYSA-N 1 3 332.492 2.847 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@@]2(C)C1 ZINC001571067998 1086658910 /nfs/dbraw/zinc/65/89/10/1086658910.db2.gz CMNJCXZQFFAYMV-KVPLUYHFSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@@]2(C)C1 ZINC001571067998 1086658915 /nfs/dbraw/zinc/65/89/15/1086658915.db2.gz CMNJCXZQFFAYMV-KVPLUYHFSA-N 1 3 335.536 2.852 10 30 EFEEHO CC#CC[NH2+]CCC[C@@H](NC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001571347347 1086745932 /nfs/dbraw/zinc/74/59/32/1086745932.db2.gz RGVCZGXRECYWGG-UYAOXDASSA-N 1 3 341.499 2.579 10 30 EFEEHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC001571563951 1086964889 /nfs/dbraw/zinc/96/48/89/1086964889.db2.gz UBYZKXKNNJDPNR-ZWKOTPCHSA-N 1 3 335.536 2.901 10 30 EFEEHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267058987 1092498746 /nfs/dbraw/zinc/49/87/46/1092498746.db2.gz XFJFUGJWTMPXFJ-VQIMIIECSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001267163874 1093010881 /nfs/dbraw/zinc/01/08/81/1093010881.db2.gz BJJPNPYDQVQLJB-SJORKVTESA-N 1 3 341.927 2.973 10 30 EFEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267163874 1093010886 /nfs/dbraw/zinc/01/08/86/1093010886.db2.gz BJJPNPYDQVQLJB-SJORKVTESA-N 1 3 341.927 2.973 10 30 EFEEHO CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001267182140 1093104979 /nfs/dbraw/zinc/10/49/79/1093104979.db2.gz VHBCBYGSLJBIMB-FQEVSTJZSA-N 1 3 341.499 2.746 10 30 EFEEHO CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001267182140 1093104982 /nfs/dbraw/zinc/10/49/82/1093104982.db2.gz VHBCBYGSLJBIMB-FQEVSTJZSA-N 1 3 341.499 2.746 10 30 EFEEHO C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001267217189 1093227782 /nfs/dbraw/zinc/22/77/82/1093227782.db2.gz AEUSAZHPWXDGKJ-YJBOKZPZSA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001267217189 1093227789 /nfs/dbraw/zinc/22/77/89/1093227789.db2.gz AEUSAZHPWXDGKJ-YJBOKZPZSA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](CC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001267250159 1093368140 /nfs/dbraw/zinc/36/81/40/1093368140.db2.gz HKOYKOZWJMQWND-APWZRJJASA-N 1 3 341.515 2.992 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001267250159 1093368151 /nfs/dbraw/zinc/36/81/51/1093368151.db2.gz HKOYKOZWJMQWND-APWZRJJASA-N 1 3 341.515 2.992 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001267376410 1094369537 /nfs/dbraw/zinc/36/95/37/1094369537.db2.gz DALKDWJUNNDJFD-HKUYNNGSSA-N 1 3 329.488 2.884 10 30 EFEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CCCCC1 ZINC001268121434 1095413062 /nfs/dbraw/zinc/41/30/62/1095413062.db2.gz ACMYUBXEFMNZEZ-IEBWSBKVSA-N 1 3 333.520 2.539 10 30 EFEEHO C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267547387 1095457644 /nfs/dbraw/zinc/45/76/44/1095457644.db2.gz MIUIFMXVADDTEQ-MOPGFXCFSA-N 1 3 333.520 2.587 10 30 EFEEHO C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267547391 1095458174 /nfs/dbraw/zinc/45/81/74/1095458174.db2.gz MIUIFMXVADDTEQ-RBUKOAKNSA-N 1 3 333.520 2.587 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001268224904 1096129910 /nfs/dbraw/zinc/12/99/10/1096129910.db2.gz QTSMNGHEBLMMMC-QFBILLFUSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001268224904 1096129912 /nfs/dbraw/zinc/12/99/12/1096129912.db2.gz QTSMNGHEBLMMMC-QFBILLFUSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001268224903 1096130073 /nfs/dbraw/zinc/13/00/73/1096130073.db2.gz QTSMNGHEBLMMMC-LPHOPBHVSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001268224903 1096130075 /nfs/dbraw/zinc/13/00/75/1096130075.db2.gz QTSMNGHEBLMMMC-LPHOPBHVSA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(Cl)CNCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001268378170 1096433034 /nfs/dbraw/zinc/43/30/34/1096433034.db2.gz RVWOHGRYLWCBFC-AWEZNQCLSA-N 1 3 329.916 2.876 10 30 EFEEHO C=C(Cl)CNCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001268378170 1096433037 /nfs/dbraw/zinc/43/30/37/1096433037.db2.gz RVWOHGRYLWCBFC-AWEZNQCLSA-N 1 3 329.916 2.876 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001481740387 1096481481 /nfs/dbraw/zinc/48/14/81/1096481481.db2.gz BGQMYNJBUMMGKL-VQIMIIECSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001481740387 1096481482 /nfs/dbraw/zinc/48/14/82/1096481482.db2.gz BGQMYNJBUMMGKL-VQIMIIECSA-N 1 3 339.499 2.698 10 30 EFEEHO C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001481938541 1096968378 /nfs/dbraw/zinc/96/83/78/1096968378.db2.gz BXWNQTFFPARSAD-MAUKXSAKSA-N 1 3 341.927 2.735 10 30 EFEEHO C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001481938541 1096968385 /nfs/dbraw/zinc/96/83/85/1096968385.db2.gz BXWNQTFFPARSAD-MAUKXSAKSA-N 1 3 341.927 2.735 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481985977 1097048746 /nfs/dbraw/zinc/04/87/46/1097048746.db2.gz IILNVWLVXZEJTJ-QGZVFWFLSA-N 1 3 341.927 2.689 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC2CC[NH+](CC=C(C)C)CC2)CC1 ZINC001482051857 1097185487 /nfs/dbraw/zinc/18/54/87/1097185487.db2.gz QZPVNYOPDUDAAM-UHFFFAOYSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001268772237 1097619818 /nfs/dbraw/zinc/61/98/18/1097619818.db2.gz XCDYTZYDANREDB-VQTJNVASSA-N 1 3 341.499 2.650 10 30 EFEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268944353 1097737558 /nfs/dbraw/zinc/73/75/58/1097737558.db2.gz TYEUMLGRQDKPDQ-HOJAQTOUSA-N 1 3 345.531 2.892 10 30 EFEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268944353 1097737564 /nfs/dbraw/zinc/73/75/64/1097737564.db2.gz TYEUMLGRQDKPDQ-HOJAQTOUSA-N 1 3 345.531 2.892 10 30 EFEEHO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001269693298 1098373612 /nfs/dbraw/zinc/37/36/12/1098373612.db2.gz SMNWKXWFUQBXKR-FQEVSTJZSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001269693298 1098373619 /nfs/dbraw/zinc/37/36/19/1098373619.db2.gz SMNWKXWFUQBXKR-FQEVSTJZSA-N 1 3 335.536 2.855 10 30 EFEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001270320574 1098956855 /nfs/dbraw/zinc/95/68/55/1098956855.db2.gz CTNDRCHEOKLWQO-HXUWFJFHSA-N 1 3 347.547 2.833 10 30 EFEEHO C#CCN(C(=O)CN(C)CC(C)(C)C)C1CC[NH+](CC=C(C)C)CC1 ZINC001270346081 1098989035 /nfs/dbraw/zinc/98/90/35/1098989035.db2.gz YMLZZLRBZVTSMT-UHFFFAOYSA-N 1 3 347.547 2.857 10 30 EFEEHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001270345879 1098989373 /nfs/dbraw/zinc/98/93/73/1098989373.db2.gz RSSWGJMMXZCNLL-MJGOQNOKSA-N 1 3 333.520 2.608 10 30 EFEEHO C=CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC001671256802 1099376251 /nfs/dbraw/zinc/37/62/51/1099376251.db2.gz KQUQQALGUFEPTO-QFBILLFUSA-N 1 3 329.488 2.907 10 30 EFEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1CCC)C1CCCCC1 ZINC001482406089 1100042507 /nfs/dbraw/zinc/04/25/07/1100042507.db2.gz MRTOPNZUQRSEON-MOPGFXCFSA-N 1 3 333.520 2.539 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001266371159 1101762699 /nfs/dbraw/zinc/76/26/99/1101762699.db2.gz TUZBTWZHLUVMTI-QZTJIDSGSA-N 1 3 333.520 2.796 10 30 EFEEHO C#CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001656447444 1102088815 /nfs/dbraw/zinc/08/88/15/1102088815.db2.gz HPSDZFRKQVAJGR-ROUUACIJSA-N 1 3 335.536 2.594 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001266760282 1102141571 /nfs/dbraw/zinc/14/15/71/1102141571.db2.gz BIFRMHGMQTYJBQ-VQIMIIECSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001266760282 1102141583 /nfs/dbraw/zinc/14/15/83/1102141583.db2.gz BIFRMHGMQTYJBQ-VQIMIIECSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001271710622 1102277925 /nfs/dbraw/zinc/27/79/25/1102277925.db2.gz BJUYCPKZELGUHB-LPHOPBHVSA-N 1 3 329.488 2.622 10 30 EFEEHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C2 ZINC001271736864 1102543453 /nfs/dbraw/zinc/54/34/53/1102543453.db2.gz RMASWIOGNCYZDK-BCDXTJNWSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C2 ZINC001271736864 1102543460 /nfs/dbraw/zinc/54/34/60/1102543460.db2.gz RMASWIOGNCYZDK-BCDXTJNWSA-N 1 3 333.520 2.796 10 30 EFEEHO CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001266890181 1102602507 /nfs/dbraw/zinc/60/25/07/1102602507.db2.gz JBIJMNAJZQANLM-RBUKOAKNSA-N 1 3 347.547 2.881 10 30 EFEEHO CC#CCN1CCC[C@@H]([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001266890181 1102602520 /nfs/dbraw/zinc/60/25/20/1102602520.db2.gz JBIJMNAJZQANLM-RBUKOAKNSA-N 1 3 347.547 2.881 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001661066992 1103108213 /nfs/dbraw/zinc/10/82/13/1103108213.db2.gz TXJFAFFLIDPJLT-ZWKOTPCHSA-N 1 3 333.520 2.798 10 30 EFEEHO C=CCCC[NH2+][C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001661168618 1103156053 /nfs/dbraw/zinc/15/60/53/1103156053.db2.gz PXRLRRZRKYSDRU-LPHOPBHVSA-N 1 3 339.499 2.650 10 30 EFEEHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001661262753 1103210576 /nfs/dbraw/zinc/21/05/76/1103210576.db2.gz VWDAKPKJDAJENT-QRVBRYPASA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001661262753 1103210596 /nfs/dbraw/zinc/21/05/96/1103210596.db2.gz VWDAKPKJDAJENT-QRVBRYPASA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001661818181 1103445159 /nfs/dbraw/zinc/44/51/59/1103445159.db2.gz KIXXNXQDEABOKG-APWZRJJASA-N 1 3 339.499 2.603 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCCCC)C2)CC1 ZINC001662797001 1103819611 /nfs/dbraw/zinc/81/96/11/1103819611.db2.gz KIZUNCHMMSTYGC-UXHICEINSA-N 1 3 347.547 2.929 10 30 EFEEHO C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](CCC)CCC ZINC001272044567 1104279186 /nfs/dbraw/zinc/27/91/86/1104279186.db2.gz RROGHMFAAURDPR-OALUTQOASA-N 1 3 333.520 2.587 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CCCC(C)(C)C)CC1 ZINC001665888800 1104799498 /nfs/dbraw/zinc/79/94/98/1104799498.db2.gz WCMWUXYSQQIXCM-GOSISDBHSA-N 1 3 335.536 2.642 10 30 EFEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CCCCC1 ZINC001667145171 1105062088 /nfs/dbraw/zinc/06/20/88/1105062088.db2.gz YVYCLFCUDKJPDS-QUCCMNQESA-N 1 3 347.547 2.929 10 30 EFEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001482857063 1105105357 /nfs/dbraw/zinc/10/53/57/1105105357.db2.gz QBESIOGHRPVNDD-OAHLLOKOSA-N 1 3 329.916 2.735 10 30 EFEEHO C#CCN(C(=O)[C@H]1CCCN1C(C)C)C1CC[NH+](CCCC)CC1 ZINC001671476961 1105642359 /nfs/dbraw/zinc/64/23/59/1105642359.db2.gz CAYKQEBOBUQEDQ-LJQANCHMSA-N 1 3 333.520 2.586 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001671916403 1105730099 /nfs/dbraw/zinc/73/00/99/1105730099.db2.gz KYMJXTRRPZHFOD-BEFAXECRSA-N 1 3 332.492 2.834 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001671916403 1105730104 /nfs/dbraw/zinc/73/01/04/1105730104.db2.gz KYMJXTRRPZHFOD-BEFAXECRSA-N 1 3 332.492 2.834 10 30 EFEEHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001672338293 1105805766 /nfs/dbraw/zinc/80/57/66/1105805766.db2.gz GNDBZNOQWJFHBK-QFBILLFUSA-N 1 3 329.488 2.622 10 30 EFEEHO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2 ZINC001672356001 1105812193 /nfs/dbraw/zinc/81/21/93/1105812193.db2.gz NBECBWQEWVGZAS-BCDXTJNWSA-N 1 3 335.536 2.900 10 30 EFEEHO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2 ZINC001672356001 1105812202 /nfs/dbraw/zinc/81/22/02/1105812202.db2.gz NBECBWQEWVGZAS-BCDXTJNWSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001672933600 1105942400 /nfs/dbraw/zinc/94/24/00/1105942400.db2.gz FXLNOIUWGHGWMG-IAGOWNOFSA-N 1 3 329.488 2.793 10 30 EFEEHO CC#CCN1CCC2(CN(C(=O)CCC[NH+](CCC)CCC)C2)CC1 ZINC001673021441 1105960744 /nfs/dbraw/zinc/96/07/44/1105960744.db2.gz WSGNMEXIMYTPQR-UHFFFAOYSA-N 1 3 347.547 2.836 10 30 EFEEHO C=CCN(C)C[C@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001674469487 1106198055 /nfs/dbraw/zinc/19/80/55/1106198055.db2.gz KYROKEBTKAPBCG-GOSISDBHSA-N 1 3 329.488 2.513 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001674510233 1106211137 /nfs/dbraw/zinc/21/11/37/1106211137.db2.gz HEWXDFYPPREPTQ-LJQANCHMSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001674510233 1106211140 /nfs/dbraw/zinc/21/11/40/1106211140.db2.gz HEWXDFYPPREPTQ-LJQANCHMSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001676249112 1106505530 /nfs/dbraw/zinc/50/55/30/1106505530.db2.gz ILZRRCDAUYFPGU-LPHOPBHVSA-N 1 3 339.499 2.602 10 30 EFEEHO C=CCC[N@@H+](C)CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001677211616 1106677304 /nfs/dbraw/zinc/67/73/04/1106677304.db2.gz SFPJYXYXSUZREQ-LJQANCHMSA-N 1 3 341.515 2.944 10 30 EFEEHO C=CCC[N@H+](C)CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001677211616 1106677306 /nfs/dbraw/zinc/67/73/06/1106677306.db2.gz SFPJYXYXSUZREQ-LJQANCHMSA-N 1 3 341.515 2.944 10 30 EFEEHO C=CCC[NH2+]Cc1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)c(F)c1 ZINC001677648215 1106810054 /nfs/dbraw/zinc/81/00/54/1106810054.db2.gz ILNOSWYYBQEZCF-HOTGVXAUSA-N 1 3 347.478 2.980 10 30 EFEEHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001409349806 1107634169 /nfs/dbraw/zinc/63/41/69/1107634169.db2.gz GROXEQLBNBWASZ-HOTGVXAUSA-N 1 3 344.503 2.519 10 30 EFEEHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001409349863 1107635389 /nfs/dbraw/zinc/63/53/89/1107635389.db2.gz GROXEQLBNBWASZ-JKSUJKDBSA-N 1 3 344.503 2.519 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCC(C)(C)C)CC1 ZINC001272344209 1108012528 /nfs/dbraw/zinc/01/25/28/1108012528.db2.gz SAOFHMUFYFXNQE-RTBURBONSA-N 1 3 347.547 2.642 10 30 EFEEHO C=CC[NH+]1CCC2(CCN(C(=O)CN(C)CCCCCC)C2)CC1 ZINC001483836955 1112512846 /nfs/dbraw/zinc/51/28/46/1112512846.db2.gz ROBMWZXJTTVLAL-UHFFFAOYSA-N 1 3 335.536 2.999 10 30 EFEEHO C#CCN(C(=O)[C@H]1CCCN1C(C)C)C1CC[NH+](CCC(C)C)CC1 ZINC001483984479 1112630225 /nfs/dbraw/zinc/63/02/25/1112630225.db2.gz NXSQJRZDRRIZMZ-HXUWFJFHSA-N 1 3 347.547 2.832 10 30 EFEEHO C=CC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CCCC1 ZINC001484008947 1112657798 /nfs/dbraw/zinc/65/77/98/1112657798.db2.gz IRQZBSXJTGTEJI-VQIMIIECSA-N 1 3 339.499 2.650 10 30 EFEEHO C#CCC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC001484147017 1112825306 /nfs/dbraw/zinc/82/53/06/1112825306.db2.gz NRBRJTORKCCFFX-IBGZPJMESA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001484558484 1113012302 /nfs/dbraw/zinc/01/23/02/1113012302.db2.gz HHXFOPGULYGEGI-FXAWDEMLSA-N 1 3 341.499 2.850 10 30 EFEEHO C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001484562810 1113024355 /nfs/dbraw/zinc/02/43/55/1113024355.db2.gz GVKOFQNDDYKMEX-PXNSSMCTSA-N 1 3 341.499 2.851 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCCC)[C@@H](C)C2)CC1 ZINC001484985785 1117911251 /nfs/dbraw/zinc/91/12/51/1117911251.db2.gz KRNIOMXOKWWTOA-ICSRJNTNSA-N 1 3 347.547 2.881 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCC)[C@@H](C)C2)CC1 ZINC001484985785 1117911256 /nfs/dbraw/zinc/91/12/56/1117911256.db2.gz KRNIOMXOKWWTOA-ICSRJNTNSA-N 1 3 347.547 2.881 10 30 EFEEHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001485002603 1117923516 /nfs/dbraw/zinc/92/35/16/1117923516.db2.gz AJAWODSATXRDDM-INIZCTEOSA-N 1 3 349.906 2.516 10 30 EFEEHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001485239097 1118170807 /nfs/dbraw/zinc/17/08/07/1118170807.db2.gz ZFOBHUQFIUCTNV-UYSNPLJNSA-N 1 3 347.906 2.778 10 30 EFEEHO C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941238185 1118695549 /nfs/dbraw/zinc/69/55/49/1118695549.db2.gz UMOMBHFODBZMAV-SFHVURJKSA-N 1 3 329.488 2.765 10 30 EFEEHO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941238185 1118695551 /nfs/dbraw/zinc/69/55/51/1118695551.db2.gz UMOMBHFODBZMAV-SFHVURJKSA-N 1 3 329.488 2.765 10 30 EFEEHO C=CCC[C@H](O)C[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000246878132 240274333 /nfs/dbraw/zinc/27/43/33/240274333.db2.gz DMZXEEXGIPJJBZ-LEWJYISDSA-N 1 3 346.515 2.691 10 30 EFEEHO C=CCC[C@H](O)C[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000246878132 240274342 /nfs/dbraw/zinc/27/43/42/240274342.db2.gz DMZXEEXGIPJJBZ-LEWJYISDSA-N 1 3 346.515 2.691 10 30 EFEEHO Cc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)ccc1C#N ZINC000414530114 244213763 /nfs/dbraw/zinc/21/37/63/244213763.db2.gz WXLXUMJYAVHZHE-UHFFFAOYSA-N 1 3 349.478 2.983 10 30 EFEEHO [NH2+]=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N1CCCCCC1 ZINC000262499299 295004993 /nfs/dbraw/zinc/00/49/93/295004993.db2.gz XSAIXCBDMZVMNP-UHFFFAOYSA-N 1 3 346.441 2.982 10 30 EFEEHO C=CC[C@@H]1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000628492125 479920997 /nfs/dbraw/zinc/92/09/97/479920997.db2.gz OKMNSVDWNFXKLZ-QGZVFWFLSA-N 1 3 333.520 2.607 10 30 EFEEHO C=C(C)COCC[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000134501506 472917599 /nfs/dbraw/zinc/91/75/99/472917599.db2.gz RRDRAOAYPYOAER-UHFFFAOYSA-N 1 3 331.504 2.901 10 30 EFEEHO C=CCC[C@@H](O)C[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000127651269 473637048 /nfs/dbraw/zinc/63/70/48/473637048.db2.gz DMZXEEXGIPJJBZ-RTWAWAEBSA-N 1 3 346.515 2.691 10 30 EFEEHO C=CCC[C@@H](O)C[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000127651269 473637052 /nfs/dbraw/zinc/63/70/52/473637052.db2.gz DMZXEEXGIPJJBZ-RTWAWAEBSA-N 1 3 346.515 2.691 10 30 EFEEHO C=CCOc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415126801 476908918 /nfs/dbraw/zinc/90/89/18/476908918.db2.gz MKAWTKCZDCKAFQ-PMACEKPBSA-N 1 3 330.472 2.970 10 30 EFEEHO C=CCOc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415128557 476909736 /nfs/dbraw/zinc/90/97/36/476909736.db2.gz SHQBAPZCEUYEFI-ICSRJNTNSA-N 1 3 330.472 2.970 10 30 EFEEHO C=CCOc1cccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530247892 477880219 /nfs/dbraw/zinc/88/02/19/477880219.db2.gz CMYNANATBRDPCC-HXUWFJFHSA-N 1 3 330.472 2.842 10 30 EFEEHO CC1(C)C[C@@H](NCC#CC[NH2+][C@H]2CC(C)(C)OC2(C)C)C(C)(C)O1 ZINC000472455648 478014208 /nfs/dbraw/zinc/01/42/08/478014208.db2.gz LMKSTXRWIUDELE-IYBDPMFKSA-N 1 3 336.520 2.861 10 30 EFEEHO CC1(C)C[C@@H]([NH2+]CC#CCN[C@H]2CC(C)(C)OC2(C)C)C(C)(C)O1 ZINC000472455648 478014214 /nfs/dbraw/zinc/01/42/14/478014214.db2.gz LMKSTXRWIUDELE-IYBDPMFKSA-N 1 3 336.520 2.861 10 30 EFEEHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594435898 478385102 /nfs/dbraw/zinc/38/51/02/478385102.db2.gz GESNWXYAOVVPJB-PKOBYXMFSA-N 1 3 342.487 2.521 10 30 EFEEHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594435889 478385348 /nfs/dbraw/zinc/38/53/48/478385348.db2.gz GESNWXYAOVVPJB-HKUYNNGSSA-N 1 3 342.487 2.521 10 30 EFEEHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594439217 478389135 /nfs/dbraw/zinc/38/91/35/478389135.db2.gz UEGPIILUIDEIJD-LPHOPBHVSA-N 1 3 342.487 2.739 10 30 EFEEHO CCN1CCN(CCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594495031 478410089 /nfs/dbraw/zinc/41/00/89/478410089.db2.gz NCBPMUARVPNYJZ-UHFFFAOYSA-N 1 3 328.504 2.605 10 30 EFEEHO N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000600738558 478498643 /nfs/dbraw/zinc/49/86/43/478498643.db2.gz JKOMTMHOEGFAJH-WOJBJXKFSA-N 1 3 341.499 2.933 10 30 EFEEHO N#CC1(C[C@@H](O)CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000600738558 478498651 /nfs/dbraw/zinc/49/86/51/478498651.db2.gz JKOMTMHOEGFAJH-WOJBJXKFSA-N 1 3 341.499 2.933 10 30 EFEEHO N#CC1(C[C@@H](O)CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000600738558 478498658 /nfs/dbraw/zinc/49/86/58/478498658.db2.gz JKOMTMHOEGFAJH-WOJBJXKFSA-N 1 3 341.499 2.933 10 30 EFEEHO N#Cc1ccc2c(c1)[C@H](NCc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000595066866 478649313 /nfs/dbraw/zinc/64/93/13/478649313.db2.gz FXCHJHUOGIHWGG-RBBKRZOGSA-N 1 3 347.462 2.902 10 30 EFEEHO N#Cc1ccc2c(c1)[C@H](NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000595066866 478649323 /nfs/dbraw/zinc/64/93/23/478649323.db2.gz FXCHJHUOGIHWGG-RBBKRZOGSA-N 1 3 347.462 2.902 10 30 EFEEHO N#Cc1cccc(C2(NCc3cccc4c3CC[NH2+]C4)CCOCC2)c1 ZINC000595911727 479066772 /nfs/dbraw/zinc/06/67/72/479066772.db2.gz WHKKBPHGZOQPEV-UHFFFAOYSA-N 1 3 347.462 2.999 10 30 EFEEHO CN(C)CCC[N@H+](C)CCNc1ccc(C(F)(F)F)cc1C#N ZINC000596423800 479289301 /nfs/dbraw/zinc/28/93/01/479289301.db2.gz CEIOXTXVFHROBX-UHFFFAOYSA-N 1 3 328.382 2.872 10 30 EFEEHO CN(C)CCC[N@@H+](C)CCNc1ccc(C(F)(F)F)cc1C#N ZINC000596423800 479289305 /nfs/dbraw/zinc/28/93/05/479289305.db2.gz CEIOXTXVFHROBX-UHFFFAOYSA-N 1 3 328.382 2.872 10 30 EFEEHO C=CCOc1ccccc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705272 481273839 /nfs/dbraw/zinc/27/38/39/481273839.db2.gz AVYRNTUORXNLPC-CMKODMSKSA-N 1 3 330.472 2.970 10 30 EFEEHO C=CCC[C@H](NC1CCN(C(=O)CCC[NH2+]C)CC1)c1ccco1 ZINC000665288914 481772212 /nfs/dbraw/zinc/77/22/12/481772212.db2.gz AQLQYVKEPWSOLB-KRWDZBQOSA-N 1 3 333.476 2.867 10 30 EFEEHO C=CC[C@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC000662666874 481923336 /nfs/dbraw/zinc/92/33/36/481923336.db2.gz WXKXTMFYXFVRPD-AZUAARDMSA-N 1 3 327.472 2.638 10 30 EFEEHO C=CC[C@@]1(C(=O)NC2CCN(Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000662673833 481927619 /nfs/dbraw/zinc/92/76/19/481927619.db2.gz SHUODGGHKARMNZ-NRFANRHFSA-N 1 3 341.499 2.774 10 30 EFEEHO C=CC[C@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000651743567 481929520 /nfs/dbraw/zinc/92/95/20/481929520.db2.gz ZUGMGBPKQNRTIC-IHPCNDPISA-N 1 3 343.515 2.610 10 30 EFEEHO C=CC[C@]1(C(=O)NCC2CCN(Cc3cccs3)CC2)CCC[NH2+]1 ZINC000662697528 481938346 /nfs/dbraw/zinc/93/83/46/481938346.db2.gz GCHOFUHEYPIFFN-LJQANCHMSA-N 1 3 347.528 2.775 10 30 EFEEHO C=CC[C@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000662719034 481947106 /nfs/dbraw/zinc/94/71/06/481947106.db2.gz VLBDWYIWPPUWMI-HFSMHLIXSA-N 1 3 341.499 2.854 10 30 EFEEHO C=CC[C@]1(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CCC[NH2+]1 ZINC000662746328 481958864 /nfs/dbraw/zinc/95/88/64/481958864.db2.gz SCDLVKFTELMHTI-SZVBFZGTSA-N 1 3 347.528 2.946 10 30 EFEEHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691057961 1248318759 /nfs/dbraw/zinc/31/87/59/1248318759.db2.gz FPPHMUZYIFGIMH-QFBILLFUSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001691057961 1248318769 /nfs/dbraw/zinc/31/87/69/1248318769.db2.gz FPPHMUZYIFGIMH-QFBILLFUSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691075934 1248363464 /nfs/dbraw/zinc/36/34/64/1248363464.db2.gz WCSPCIDSGJQKOY-RBUKOAKNSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001484390670 1252499467 /nfs/dbraw/zinc/49/94/67/1252499467.db2.gz RKQZFIBIEZLVBA-RDGPPVDQSA-N 1 3 335.536 2.898 10 30 EFEEHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001484390670 1252499473 /nfs/dbraw/zinc/49/94/73/1252499473.db2.gz RKQZFIBIEZLVBA-RDGPPVDQSA-N 1 3 335.536 2.898 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001484455021 1252627954 /nfs/dbraw/zinc/62/79/54/1252627954.db2.gz HVRZZXXESOHGHT-GUDVDZBRSA-N 1 3 333.520 2.891 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001484455021 1252627966 /nfs/dbraw/zinc/62/79/66/1252627966.db2.gz HVRZZXXESOHGHT-GUDVDZBRSA-N 1 3 333.520 2.891 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001484455023 1252628711 /nfs/dbraw/zinc/62/87/11/1252628711.db2.gz HVRZZXXESOHGHT-IPMKNSEASA-N 1 3 333.520 2.891 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001484455023 1252628721 /nfs/dbraw/zinc/62/87/21/1252628721.db2.gz HVRZZXXESOHGHT-IPMKNSEASA-N 1 3 333.520 2.891 10 30 EFEEHO C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001485827535 1257000454 /nfs/dbraw/zinc/00/04/54/1257000454.db2.gz PLCLUDAWSRNRDE-LPHOPBHVSA-N 1 3 339.499 2.602 10 30 EFEEHO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501894 1261799440 /nfs/dbraw/zinc/79/94/40/1261799440.db2.gz WPGXLJPPGYYGTE-OWCLPIDISA-N 1 3 335.517 2.568 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000876716535 1290987456 /nfs/dbraw/zinc/98/74/56/1290987456.db2.gz HBFQFGYZELLHHN-AWEZNQCLSA-N 1 3 339.867 2.816 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000876752357 1291005186 /nfs/dbraw/zinc/00/51/86/1291005186.db2.gz MQOMVDYTSKWQQA-JKSUJKDBSA-N 1 3 327.900 2.571 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000876754230 1291007648 /nfs/dbraw/zinc/00/76/48/1291007648.db2.gz DAHCHPABWYRIQI-PBHICJAKSA-N 1 3 335.879 2.798 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201804 1291165022 /nfs/dbraw/zinc/16/50/22/1291165022.db2.gz RBQIMGXPUUNQDE-GOSISDBHSA-N 1 3 349.906 2.875 10 30 EFEEHO C=CCN(CCc1ccccc1)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903885376 1313347965 /nfs/dbraw/zinc/34/79/65/1313347965.db2.gz GHYWQGHJLGSXRA-IBGZPJMESA-N 1 3 326.488 2.577 10 30 EFEEHO C=CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1 ZINC000903980659 1313531456 /nfs/dbraw/zinc/53/14/56/1313531456.db2.gz XJSZKMWRFCGUFE-BGYRXZFFSA-N 1 3 341.499 2.652 10 30 EFEEHO C=CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1 ZINC000903980659 1313531460 /nfs/dbraw/zinc/53/14/60/1313531460.db2.gz XJSZKMWRFCGUFE-BGYRXZFFSA-N 1 3 341.499 2.652 10 30 EFEEHO CCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001490792969 1299262406 /nfs/dbraw/zinc/26/24/06/1299262406.db2.gz PNULVYSSPRITPB-HSALFYBXSA-N 1 3 347.547 2.974 10 30 EFEEHO C#CCN(C(=O)CN(C)CC(C)(C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001278184653 1313756159 /nfs/dbraw/zinc/75/61/59/1313756159.db2.gz PNKGNQWSZRDZFF-UHFFFAOYSA-N 1 3 347.547 2.691 10 30 EFEEHO C#CCNC[C@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccc2ccccc2c1 ZINC001278207141 1313789338 /nfs/dbraw/zinc/78/93/38/1313789338.db2.gz PSJAYBJMWGNWNI-FQEVSTJZSA-N 1 3 349.478 2.562 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000868221663 1304194889 /nfs/dbraw/zinc/19/48/89/1304194889.db2.gz KXNWXGMIUVUCSD-UHFFFAOYSA-N 1 3 336.524 2.589 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000900898054 1308858087 /nfs/dbraw/zinc/85/80/87/1308858087.db2.gz XLWQZKDZAGGUDN-SFHVURJKSA-N 1 3 329.488 2.617 10 30 EFEEHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001277369105 1312068059 /nfs/dbraw/zinc/06/80/59/1312068059.db2.gz SNJJGGVJIHLYGY-MOPGFXCFSA-N 1 3 333.520 2.894 10 30 EFEEHO C=CCC[C@H]([NH2+]CCCN1CCN(CC)CC1)[C@@]1(C)CCCCO1 ZINC000902745624 1312071477 /nfs/dbraw/zinc/07/14/77/1312071477.db2.gz RSCAQNLZFXEWJV-VQTJNVASSA-N 1 3 337.552 2.898 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001278427368 1314574054 /nfs/dbraw/zinc/57/40/54/1314574054.db2.gz SFQGJBMDDIJTBM-RTBURBONSA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001278427368 1314574057 /nfs/dbraw/zinc/57/40/57/1314574057.db2.gz SFQGJBMDDIJTBM-RTBURBONSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001278550685 1315175116 /nfs/dbraw/zinc/17/51/16/1315175116.db2.gz XOQYCWRQROIMHU-RTBURBONSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001278550682 1315175569 /nfs/dbraw/zinc/17/55/69/1315175569.db2.gz XOQYCWRQROIMHU-MOPGFXCFSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C(F)(F)F ZINC001278703769 1315581653 /nfs/dbraw/zinc/58/16/53/1315581653.db2.gz MKHJUERRNBAVML-CABCVRRESA-N 1 3 349.441 2.519 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001264091374 1316588078 /nfs/dbraw/zinc/58/80/78/1316588078.db2.gz ZXDHKIZSERTTRX-KURKYZTESA-N 1 3 333.520 2.606 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001264091374 1316588081 /nfs/dbraw/zinc/58/80/81/1316588081.db2.gz ZXDHKIZSERTTRX-KURKYZTESA-N 1 3 333.520 2.606 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCCCC)[C@@H]2C)CC1 ZINC001264175163 1316594827 /nfs/dbraw/zinc/59/48/27/1316594827.db2.gz AAKMDQYCCZGKEC-QUCCMNQESA-N 1 3 347.547 2.881 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCCC)[C@@H]2C)CC1 ZINC001264175163 1316594829 /nfs/dbraw/zinc/59/48/29/1316594829.db2.gz AAKMDQYCCZGKEC-QUCCMNQESA-N 1 3 347.547 2.881 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001264753777 1316668528 /nfs/dbraw/zinc/66/85/28/1316668528.db2.gz OBCVCAMUCSBMOO-MSOLQXFVSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001264753777 1316668530 /nfs/dbraw/zinc/66/85/30/1316668530.db2.gz OBCVCAMUCSBMOO-MSOLQXFVSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001265332454 1316784399 /nfs/dbraw/zinc/78/43/99/1316784399.db2.gz UWVSJPKPTFTCBV-QGZVFWFLSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001265415290 1316802986 /nfs/dbraw/zinc/80/29/86/1316802986.db2.gz XWMMIQABCATTCN-HDICACEKSA-N 1 3 331.504 2.504 10 30 EFEEHO C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001265522638 1316818433 /nfs/dbraw/zinc/81/84/33/1316818433.db2.gz ACLNCSFKKXOKFB-ROUUACIJSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001265522638 1316818435 /nfs/dbraw/zinc/81/84/35/1316818435.db2.gz ACLNCSFKKXOKFB-ROUUACIJSA-N 1 3 335.536 2.853 10 30 EFEEHO C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001265523847 1316819651 /nfs/dbraw/zinc/81/96/51/1316819651.db2.gz QGVCAGPUBZWHGU-WOJBJXKFSA-N 1 3 347.547 2.835 10 30 EFEEHO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001265523847 1316819653 /nfs/dbraw/zinc/81/96/53/1316819653.db2.gz QGVCAGPUBZWHGU-WOJBJXKFSA-N 1 3 347.547 2.835 10 30 EFEEHO CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265705927 1316863131 /nfs/dbraw/zinc/86/31/31/1316863131.db2.gz ORMGBMPSEDMJPR-MOPGFXCFSA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001279288502 1317226438 /nfs/dbraw/zinc/22/64/38/1317226438.db2.gz HIKDMRHPYGXYJM-WAAHFUDESA-N 1 3 335.536 2.948 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@]2(C[NH2+]CCCC)CCCC[C@@H]2C)CC1 ZINC001318760726 1328691775 /nfs/dbraw/zinc/69/17/75/1328691775.db2.gz TVNBSKNLNILDLZ-GHTZIAJQSA-N 1 3 347.547 2.786 10 30 EFEEHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCN2CCC)c(F)c1 ZINC001279710694 1317368419 /nfs/dbraw/zinc/36/84/19/1317368419.db2.gz VYABMABKGMGHNJ-LJQANCHMSA-N 1 3 347.478 2.982 10 30 EFEEHO C=CCCCN1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001316599367 1317409107 /nfs/dbraw/zinc/40/91/07/1317409107.db2.gz BOAGSOPOVXIGIT-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)NCC2([NH2+]C[C@H](C)CC(C)C)CCC2)CC1 ZINC001280545983 1317614220 /nfs/dbraw/zinc/61/42/20/1317614220.db2.gz SXJKNTUAQNZLGZ-GOSISDBHSA-N 1 3 347.547 2.642 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001281099970 1318012564 /nfs/dbraw/zinc/01/25/64/1318012564.db2.gz JNJMWXZAGMFWNM-QUCCMNQESA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CCC)C2 ZINC001281099970 1318012569 /nfs/dbraw/zinc/01/25/69/1318012569.db2.gz JNJMWXZAGMFWNM-QUCCMNQESA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001318938010 1328745391 /nfs/dbraw/zinc/74/53/91/1328745391.db2.gz QEQJVJHGAVSZJK-KRWDZBQOSA-N 1 3 341.927 2.832 10 30 EFEEHO C=CC[NH+]1CCC2(CCN(C(=O)CN(C)CC(C)(C)C)CC2)CC1 ZINC001281795850 1318586840 /nfs/dbraw/zinc/58/68/40/1318586840.db2.gz GKGPUYAITFMOLC-UHFFFAOYSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001319142402 1328790320 /nfs/dbraw/zinc/79/03/20/1328790320.db2.gz PFFPULWPFDIFOL-UHFFFAOYSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001319142402 1328790322 /nfs/dbraw/zinc/79/03/22/1328790322.db2.gz PFFPULWPFDIFOL-UHFFFAOYSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCCC[NH2+]C1CC(N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001284818960 1320549326 /nfs/dbraw/zinc/54/93/26/1320549326.db2.gz PQFMZOBORLSSJL-UHFFFAOYSA-N 1 3 329.488 2.907 10 30 EFEEHO CC#CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CCCCC1 ZINC001319659510 1328941726 /nfs/dbraw/zinc/94/17/26/1328941726.db2.gz LTILCCOHVPFGBF-SFHVURJKSA-N 1 3 333.520 2.539 10 30 EFEEHO C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001319773899 1328984681 /nfs/dbraw/zinc/98/46/81/1328984681.db2.gz GEOMCYNBMQQRPU-LPHOPBHVSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCC[NH2+][C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001319943704 1329041348 /nfs/dbraw/zinc/04/13/48/1329041348.db2.gz LBKWIMFBZGFJJE-QAPCUYQASA-N 1 3 327.488 2.505 10 30 EFEEHO C=CCOc1cccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC001308235323 1324803675 /nfs/dbraw/zinc/80/36/75/1324803675.db2.gz RPAFDCIYFAHICH-UHFFFAOYSA-N 1 3 343.515 2.900 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC/C=C\CCC)C2)CC1 ZINC001316950486 1325408199 /nfs/dbraw/zinc/40/81/99/1325408199.db2.gz BNMNAEAYNZGQTK-HCZHMGAMSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC/C=C\CCC)C2)CC1 ZINC001316950486 1325408202 /nfs/dbraw/zinc/40/82/02/1325408202.db2.gz BNMNAEAYNZGQTK-HCZHMGAMSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+](CCC)CCC)C1 ZINC001317102248 1325569027 /nfs/dbraw/zinc/56/90/27/1325569027.db2.gz AUSRBVDSQUYIAF-VQTJNVASSA-N 1 3 347.547 2.835 10 30 EFEEHO C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317106658 1325578301 /nfs/dbraw/zinc/57/83/01/1325578301.db2.gz YSDXQROHSYYCGK-UYAOXDASSA-N 1 3 345.531 2.587 10 30 EFEEHO C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317106658 1325578308 /nfs/dbraw/zinc/57/83/08/1325578308.db2.gz YSDXQROHSYYCGK-UYAOXDASSA-N 1 3 345.531 2.587 10 30 EFEEHO C=CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001317369522 1327911432 /nfs/dbraw/zinc/91/14/32/1327911432.db2.gz YTCNFEAOFFCXRY-HXUWFJFHSA-N 1 3 343.515 2.884 10 30 EFEEHO C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001322243878 1329440697 /nfs/dbraw/zinc/44/06/97/1329440697.db2.gz JEHNOCPFRAPBHV-CRAIPNDOSA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001322243878 1329440699 /nfs/dbraw/zinc/44/06/99/1329440699.db2.gz JEHNOCPFRAPBHV-CRAIPNDOSA-N 1 3 327.488 2.602 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)CC2CCC(C)CC2)CC1 ZINC001322306286 1329445172 /nfs/dbraw/zinc/44/51/72/1329445172.db2.gz JACVEDQFWQWCNT-XBMUEBEBSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CC2CCC(C)CC2)CC1 ZINC001322306286 1329445173 /nfs/dbraw/zinc/44/51/73/1329445173.db2.gz JACVEDQFWQWCNT-XBMUEBEBSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)CCCCCC)CC2)C1 ZINC001323636041 1329556794 /nfs/dbraw/zinc/55/67/94/1329556794.db2.gz BFXFPLYDPAPQAF-FQEVSTJZSA-N 1 3 347.547 2.692 10 30 EFEEHO C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)CCCCCC)CC2)C1 ZINC001323636041 1329556797 /nfs/dbraw/zinc/55/67/97/1329556797.db2.gz BFXFPLYDPAPQAF-FQEVSTJZSA-N 1 3 347.547 2.692 10 30 EFEEHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001323832692 1329576370 /nfs/dbraw/zinc/57/63/70/1329576370.db2.gz QDKYTTNXODOLFV-UHFFFAOYSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001323858648 1329579577 /nfs/dbraw/zinc/57/95/77/1329579577.db2.gz QHBRFCPSKUWEGO-PKOBYXMFSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001323858648 1329579579 /nfs/dbraw/zinc/57/95/79/1329579579.db2.gz QHBRFCPSKUWEGO-PKOBYXMFSA-N 1 3 333.520 2.750 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC/C=C/CCC)C2)CC1 ZINC001324673820 1329650401 /nfs/dbraw/zinc/65/04/01/1329650401.db2.gz OJCQKGSWKZTBIF-CQQBXOTJSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC/C=C/CCC)C2)CC1 ZINC001324673820 1329650402 /nfs/dbraw/zinc/65/04/02/1329650402.db2.gz OJCQKGSWKZTBIF-CQQBXOTJSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001326467034 1329758996 /nfs/dbraw/zinc/75/89/96/1329758996.db2.gz DWPWGXBXLXXBPL-XLIONFOSSA-N 1 3 341.499 2.707 10 30 EFEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001326467034 1329758997 /nfs/dbraw/zinc/75/89/97/1329758997.db2.gz DWPWGXBXLXXBPL-XLIONFOSSA-N 1 3 341.499 2.707 10 30 EFEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001381971053 1348631406 /nfs/dbraw/zinc/63/14/06/1348631406.db2.gz ZPVKFAMFIJPHII-SAABIXHNSA-N 1 3 349.906 2.641 10 30 EFEEHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001326542002 1330314691 /nfs/dbraw/zinc/31/46/91/1330314691.db2.gz PYLSGZJPRFBFBN-FHWLQOOXSA-N 1 3 333.520 2.539 10 30 EFEEHO C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCC=C)CC1 ZINC001327298784 1330454210 /nfs/dbraw/zinc/45/42/10/1330454210.db2.gz IWIUHQRHFWXBCK-BGYRXZFFSA-N 1 3 343.515 2.506 10 30 EFEEHO C=C(C)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001333022217 1331068229 /nfs/dbraw/zinc/06/82/29/1331068229.db2.gz SDWPYJVOHSCMGB-LSDHHAIUSA-N 1 3 349.441 2.663 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001367161381 1338460460 /nfs/dbraw/zinc/46/04/60/1338460460.db2.gz QHKHTVYVYVTPNY-HZPDHXFCSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001374437743 1341920856 /nfs/dbraw/zinc/92/08/56/1341920856.db2.gz DSGNZWXPAHGYFA-HOTGVXAUSA-N 1 3 329.916 2.732 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001374437743 1341920858 /nfs/dbraw/zinc/92/08/58/1341920858.db2.gz DSGNZWXPAHGYFA-HOTGVXAUSA-N 1 3 329.916 2.732 10 30 EFEEHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001377846058 1344502472 /nfs/dbraw/zinc/50/24/72/1344502472.db2.gz ADYDWNDIEJPEPK-HOTGVXAUSA-N 1 3 344.503 2.519 10 30 EFEEHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001382542028 1349007723 /nfs/dbraw/zinc/00/77/23/1349007723.db2.gz SNQHTKKEMTWKQP-SFHVURJKSA-N 1 3 344.503 2.519 10 30 EFEEHO C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCCN1C)C(C)C ZINC001394170716 1357543808 /nfs/dbraw/zinc/54/38/08/1357543808.db2.gz HFZWSZOLJWQVMH-HZPDHXFCSA-N 1 3 329.916 2.686 10 30 EFEEHO C=C(Cl)CNC[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CCCC1 ZINC001393074192 1356563370 /nfs/dbraw/zinc/56/33/70/1356563370.db2.gz UQNNBLLECSGDNL-DLBZAZTESA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CNC[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CCCC1 ZINC001393074192 1356563374 /nfs/dbraw/zinc/56/33/74/1356563374.db2.gz UQNNBLLECSGDNL-DLBZAZTESA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001400969447 1362307664 /nfs/dbraw/zinc/30/76/64/1362307664.db2.gz AWOBQNCOQJZOQA-HOTGVXAUSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001400969447 1362307666 /nfs/dbraw/zinc/30/76/66/1362307666.db2.gz AWOBQNCOQJZOQA-HOTGVXAUSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001402386144 1363642733 /nfs/dbraw/zinc/64/27/33/1363642733.db2.gz UYCMONZWDLCUCY-IRXDYDNUSA-N 1 3 341.927 2.734 10 30 EFEEHO C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]2C1 ZINC001403428403 1364632627 /nfs/dbraw/zinc/63/26/27/1364632627.db2.gz ZHBRANSUKWUXNG-ULQDDVLXSA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CC[N@H+](C)CCC)C[C@H]2C1 ZINC001403428403 1364632631 /nfs/dbraw/zinc/63/26/31/1364632631.db2.gz ZHBRANSUKWUXNG-ULQDDVLXSA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001441504541 1391337955 /nfs/dbraw/zinc/33/79/55/1391337955.db2.gz GCBFZHHKCXONJV-GASCZTMLSA-N 1 3 327.900 2.630 10 30 EFEEHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001441504541 1391337963 /nfs/dbraw/zinc/33/79/63/1391337963.db2.gz GCBFZHHKCXONJV-GASCZTMLSA-N 1 3 327.900 2.630 10 30 EFEEHO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001717537522 1419434101 /nfs/dbraw/zinc/43/41/01/1419434101.db2.gz GLOXTIYQTFTJML-IAGOWNOFSA-N 1 3 327.488 2.603 10 30 EFEEHO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001717537522 1419434102 /nfs/dbraw/zinc/43/41/02/1419434102.db2.gz GLOXTIYQTFTJML-IAGOWNOFSA-N 1 3 327.488 2.603 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001479495103 1397737473 /nfs/dbraw/zinc/73/74/73/1397737473.db2.gz OOBJIPKGDOMFOC-PKOBYXMFSA-N 1 3 347.547 2.642 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC001479893049 1398006131 /nfs/dbraw/zinc/00/61/31/1398006131.db2.gz HAMBNBWARQSONK-GOSISDBHSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001480158420 1398132875 /nfs/dbraw/zinc/13/28/75/1398132875.db2.gz PHMSNZSCMDOPKL-FPXQBCRKSA-N 1 3 339.499 2.790 10 30 EFEEHO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001480173382 1398142113 /nfs/dbraw/zinc/14/21/13/1398142113.db2.gz HFRUDNSSMFTROJ-SNRMKQJTSA-N 1 3 329.488 2.953 10 30 EFEEHO C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC001507354553 1406940885 /nfs/dbraw/zinc/94/08/85/1406940885.db2.gz CCGXYICBQCEXQA-QXAKKESOSA-N 1 3 333.520 2.654 10 30 EFEEHO CC[C@@H](CNC(=O)CCC[NH+](C)C)NCC#Cc1ccc(Cl)cc1 ZINC001495051472 1399628747 /nfs/dbraw/zinc/62/87/47/1399628747.db2.gz RUROIDFGHFGFSN-SFHVURJKSA-N 1 3 349.906 2.518 10 30 EFEEHO C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C1CCC1 ZINC001499491851 1402640035 /nfs/dbraw/zinc/64/00/35/1402640035.db2.gz DXRXEYMQHRHBNA-JLYLLQBASA-N 1 3 333.520 2.939 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1C(C)C ZINC001499507074 1402648209 /nfs/dbraw/zinc/64/82/09/1402648209.db2.gz ZPBJNLFFSDEMFT-CEXWTWQISA-N 1 3 333.520 2.891 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1C(C)C ZINC001499507074 1402648218 /nfs/dbraw/zinc/64/82/18/1402648218.db2.gz ZPBJNLFFSDEMFT-CEXWTWQISA-N 1 3 333.520 2.891 10 30 EFEEHO C#CCC[N@H+](CC1CC1)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001499530208 1402664077 /nfs/dbraw/zinc/66/40/77/1402664077.db2.gz FOOJKFJNLJYXGQ-UHFFFAOYSA-N 1 3 347.547 2.691 10 30 EFEEHO C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001499530208 1402664081 /nfs/dbraw/zinc/66/40/81/1402664081.db2.gz FOOJKFJNLJYXGQ-UHFFFAOYSA-N 1 3 347.547 2.691 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)Cc2nc[nH]c2C)CC1 ZINC001508070367 1407281139 /nfs/dbraw/zinc/28/11/39/1407281139.db2.gz WQOBHUSXPNZHKM-HUUCEWRRSA-N 1 3 332.492 2.832 10 30 EFEEHO C#CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CCN(CC=C(C)C)CC1 ZINC001500039769 1402909021 /nfs/dbraw/zinc/90/90/21/1402909021.db2.gz WWHNQRNFJVYRMB-LJQANCHMSA-N 1 3 345.531 2.753 10 30 EFEEHO C#CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CCN(CC=C(C)C)CC1 ZINC001500039769 1402909022 /nfs/dbraw/zinc/90/90/22/1402909022.db2.gz WWHNQRNFJVYRMB-LJQANCHMSA-N 1 3 345.531 2.753 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CCN(CC(=C)C)CC1 ZINC001500051933 1402914493 /nfs/dbraw/zinc/91/44/93/1402914493.db2.gz MZXWYCIZDXWJGG-QUCCMNQESA-N 1 3 343.515 2.506 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CCN(CC(=C)C)CC1 ZINC001500051933 1402914497 /nfs/dbraw/zinc/91/44/97/1402914497.db2.gz MZXWYCIZDXWJGG-QUCCMNQESA-N 1 3 343.515 2.506 10 30 EFEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C1CCCC1 ZINC001500131452 1402949714 /nfs/dbraw/zinc/94/97/14/1402949714.db2.gz ODLBBHUTAKFDJQ-WOJBJXKFSA-N 1 3 347.547 2.785 10 30 EFEEHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001500160907 1402962675 /nfs/dbraw/zinc/96/26/75/1402962675.db2.gz GHUOAUSOGCBOKV-NRFANRHFSA-N 1 3 345.531 2.590 10 30 EFEEHO C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCCN1C(C)C ZINC001501197277 1403487602 /nfs/dbraw/zinc/48/76/02/1403487602.db2.gz GVSQLFKFADYNCB-FQEVSTJZSA-N 1 3 341.499 2.501 10 30 EFEEHO C=CCCCCC[NH+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001501749623 1403764447 /nfs/dbraw/zinc/76/44/47/1403764447.db2.gz ZCXAIWNNASKEEJ-UHFFFAOYSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001502837107 1404396087 /nfs/dbraw/zinc/39/60/87/1404396087.db2.gz XJQUQXSUTCDVSM-WMLDXEAASA-N 1 3 332.492 2.832 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001502837107 1404396096 /nfs/dbraw/zinc/39/60/96/1404396096.db2.gz XJQUQXSUTCDVSM-WMLDXEAASA-N 1 3 332.492 2.832 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001502837108 1404396579 /nfs/dbraw/zinc/39/65/79/1404396579.db2.gz XJQUQXSUTCDVSM-YOEHRIQHSA-N 1 3 332.492 2.832 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC001502837108 1404396587 /nfs/dbraw/zinc/39/65/87/1404396587.db2.gz XJQUQXSUTCDVSM-YOEHRIQHSA-N 1 3 332.492 2.832 10 30 EFEEHO C=CCCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001503764599 1404508276 /nfs/dbraw/zinc/50/82/76/1404508276.db2.gz UHFDSECQFKGDDZ-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001505472604 1404707460 /nfs/dbraw/zinc/70/74/60/1404707460.db2.gz IYPINNRDZRTAAK-MOPGFXCFSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001505472604 1404707465 /nfs/dbraw/zinc/70/74/65/1404707465.db2.gz IYPINNRDZRTAAK-MOPGFXCFSA-N 1 3 335.536 2.853 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[C@@H]2CCC[N@H+]2C[C@H](C)CC)CC1 ZINC001567266845 1416046490 /nfs/dbraw/zinc/04/64/90/1416046490.db2.gz OASHUZFJCHXJSW-UYAOXDASSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2C[C@H](C)CC)CC1 ZINC001567266845 1416046495 /nfs/dbraw/zinc/04/64/95/1416046495.db2.gz OASHUZFJCHXJSW-UYAOXDASSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001567267393 1416046846 /nfs/dbraw/zinc/04/68/46/1416046846.db2.gz XBLHZJIPKOKNFE-FQEVSTJZSA-N 1 3 341.499 2.746 10 30 EFEEHO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001567267393 1416046851 /nfs/dbraw/zinc/04/68/51/1416046851.db2.gz XBLHZJIPKOKNFE-FQEVSTJZSA-N 1 3 341.499 2.746 10 30 EFEEHO C=CCN[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC001567663375 1416236385 /nfs/dbraw/zinc/23/63/85/1416236385.db2.gz HZSDKLRETFDNRX-HXUWFJFHSA-N 1 3 337.467 2.995 10 30 EFEEHO CC#CC[NH2+]C[C@]1(NC(=O)CN(C)CC(C)(C)C)CCCC[C@H]1C ZINC001568040098 1416371476 /nfs/dbraw/zinc/37/14/76/1416371476.db2.gz JEPWDTGEANYMBN-YLJYHZDGSA-N 1 3 335.536 2.642 10 30 EFEEHO C#CCC[NH+]1CCC(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001568131893 1416421852 /nfs/dbraw/zinc/42/18/52/1416421852.db2.gz ZOWQTUSGYVPTJR-UHFFFAOYSA-N 1 3 341.499 2.603 10 30 EFEEHO C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001568146331 1416424970 /nfs/dbraw/zinc/42/49/70/1416424970.db2.gz QZOPMRJIVQIKRH-VQIMIIECSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001568146330 1416425191 /nfs/dbraw/zinc/42/51/91/1416425191.db2.gz QZOPMRJIVQIKRH-APWZRJJASA-N 1 3 339.499 2.746 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC(C)C)C2CCCCC2)CC1 ZINC001568349555 1416486622 /nfs/dbraw/zinc/48/66/22/1416486622.db2.gz YRHQZZRJAFFUIQ-FQEVSTJZSA-N 1 3 347.547 2.642 10 30 EFEEHO C=CC[N@@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001691751600 1416665253 /nfs/dbraw/zinc/66/52/53/1416665253.db2.gz NHBVKSLGZXPZJI-GOSISDBHSA-N 1 3 327.488 2.602 10 30 EFEEHO C=CC[N@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001691751600 1416665254 /nfs/dbraw/zinc/66/52/54/1416665254.db2.gz NHBVKSLGZXPZJI-GOSISDBHSA-N 1 3 327.488 2.602 10 30 EFEEHO CC#CCN1CCC2(C[C@H]2NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001690123544 1417158948 /nfs/dbraw/zinc/15/89/48/1417158948.db2.gz RNCUNULFTQOGRO-LJQANCHMSA-N 1 3 345.531 2.635 10 30 EFEEHO CC#CCN1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001690123544 1417158951 /nfs/dbraw/zinc/15/89/51/1417158951.db2.gz RNCUNULFTQOGRO-LJQANCHMSA-N 1 3 345.531 2.635 10 30 EFEEHO CC#CCN1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001690123543 1417159044 /nfs/dbraw/zinc/15/90/44/1417159044.db2.gz RNCUNULFTQOGRO-IBGZPJMESA-N 1 3 345.531 2.635 10 30 EFEEHO CC#CCN1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001690123543 1417159056 /nfs/dbraw/zinc/15/90/56/1417159056.db2.gz RNCUNULFTQOGRO-IBGZPJMESA-N 1 3 345.531 2.635 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](C)CC(C)C)[C@@H]2C)CC1 ZINC001692236621 1417265727 /nfs/dbraw/zinc/26/57/27/1417265727.db2.gz IJQBNKJLEZWTKD-GGPKGHCWSA-N 1 3 347.547 2.593 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)CC(C)C)[C@@H]2C)CC1 ZINC001692236621 1417265729 /nfs/dbraw/zinc/26/57/29/1417265729.db2.gz IJQBNKJLEZWTKD-GGPKGHCWSA-N 1 3 347.547 2.593 10 30 EFEEHO CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001692329818 1417278161 /nfs/dbraw/zinc/27/81/61/1417278161.db2.gz NVSHXSBVFCPTQB-OALUTQOASA-N 1 3 333.520 2.633 10 30 EFEEHO C=C(C)CC[NH2+]C[C@@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@H]1C ZINC001698662407 1417308852 /nfs/dbraw/zinc/30/88/52/1417308852.db2.gz MFBJVPVGZZRJLZ-BEFAXECRSA-N 1 3 332.492 2.882 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001699020250 1417371955 /nfs/dbraw/zinc/37/19/55/1417371955.db2.gz MRJFAPFJRZATIS-QZTJIDSGSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001699020250 1417371958 /nfs/dbraw/zinc/37/19/58/1417371958.db2.gz MRJFAPFJRZATIS-QZTJIDSGSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001699672993 1417445961 /nfs/dbraw/zinc/44/59/61/1417445961.db2.gz IETCJOMIFDXTGQ-OALUTQOASA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001699672993 1417445963 /nfs/dbraw/zinc/44/59/63/1417445963.db2.gz IETCJOMIFDXTGQ-OALUTQOASA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001699929802 1417510573 /nfs/dbraw/zinc/51/05/73/1417510573.db2.gz AJPLHINJJYOCGA-YLJYHZDGSA-N 1 3 343.515 2.914 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001699929802 1417510578 /nfs/dbraw/zinc/51/05/78/1417510578.db2.gz AJPLHINJJYOCGA-YLJYHZDGSA-N 1 3 343.515 2.914 10 30 EFEEHO CC#CCN1CCC[C@](C)(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001716896422 1419082623 /nfs/dbraw/zinc/08/26/23/1419082623.db2.gz NEWNKBIPAHEUEG-OAQYLSRUSA-N 1 3 347.547 2.883 10 30 EFEEHO CC#CCN1CCC[C@](C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001716896422 1419082625 /nfs/dbraw/zinc/08/26/25/1419082625.db2.gz NEWNKBIPAHEUEG-OAQYLSRUSA-N 1 3 347.547 2.883 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1CC ZINC001716954032 1419108068 /nfs/dbraw/zinc/10/80/68/1419108068.db2.gz MQKBEXNIOOUHBR-SUMDDJOVSA-N 1 3 329.488 2.522 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1CC ZINC001716954032 1419108072 /nfs/dbraw/zinc/10/80/72/1419108072.db2.gz MQKBEXNIOOUHBR-SUMDDJOVSA-N 1 3 329.488 2.522 10 30 EFEEHO C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCN1C(C)C ZINC001717005102 1419141005 /nfs/dbraw/zinc/14/10/05/1419141005.db2.gz NKLIKNBMEYREBT-HXUWFJFHSA-N 1 3 341.499 2.501 10 30 EFEEHO CC#CCNCCN(Cc1ccccc1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001717005735 1419141707 /nfs/dbraw/zinc/14/17/07/1419141707.db2.gz MNYIVCNCWMUXIT-HXUWFJFHSA-N 1 3 341.499 2.503 10 30 EFEEHO CC#CCNCCN(Cc1ccccc1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001717005735 1419141709 /nfs/dbraw/zinc/14/17/09/1419141709.db2.gz MNYIVCNCWMUXIT-HXUWFJFHSA-N 1 3 341.499 2.503 10 30 EFEEHO C#CCCN(C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001717112935 1419217346 /nfs/dbraw/zinc/21/73/46/1419217346.db2.gz QNMXCHBGFMEDNJ-FQEVSTJZSA-N 1 3 341.499 2.632 10 30 EFEEHO C#CCCN(C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001717112935 1419217350 /nfs/dbraw/zinc/21/73/50/1419217350.db2.gz QNMXCHBGFMEDNJ-FQEVSTJZSA-N 1 3 341.499 2.632 10 30 EFEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001717115861 1419219721 /nfs/dbraw/zinc/21/97/21/1419219721.db2.gz PIVJJIZTQMWBRA-FXAWDEMLSA-N 1 3 341.499 2.709 10 30 EFEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)cc1 ZINC001717115861 1419219723 /nfs/dbraw/zinc/21/97/23/1419219723.db2.gz PIVJJIZTQMWBRA-FXAWDEMLSA-N 1 3 341.499 2.709 10 30 EFEEHO C#CCN[C@H](C)c1ccc(CNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001717118206 1419221790 /nfs/dbraw/zinc/22/17/90/1419221790.db2.gz OYVKTDSZCJLRKV-GOSISDBHSA-N 1 3 341.499 2.853 10 30 EFEEHO C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001717122337 1419224165 /nfs/dbraw/zinc/22/41/65/1419224165.db2.gz AGILBNXEXWZCJX-NCXUSEDFSA-N 1 3 335.536 2.948 10 30 EFEEHO CC#CC[NH2+]C1(CC)CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001717242212 1419283445 /nfs/dbraw/zinc/28/34/45/1419283445.db2.gz PSMGFXWPLQTQHV-UHFFFAOYSA-N 1 3 341.499 2.746 10 30 EFEEHO C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001717377462 1419368913 /nfs/dbraw/zinc/36/89/13/1419368913.db2.gz CDSUGAXJZPSLJI-PMACEKPBSA-N 1 3 347.547 2.692 10 30 EFEEHO C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001717377462 1419368916 /nfs/dbraw/zinc/36/89/16/1419368916.db2.gz CDSUGAXJZPSLJI-PMACEKPBSA-N 1 3 347.547 2.692 10 30 EFEEHO C=C(Cl)CNCCC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001717690910 1419508264 /nfs/dbraw/zinc/50/82/64/1419508264.db2.gz RMGFOSBJSIUVSL-OAHLLOKOSA-N 1 3 329.916 2.734 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCC(=C)C)CC1 ZINC001722958052 1424387324 /nfs/dbraw/zinc/38/73/24/1424387324.db2.gz UQYYGBRUFOMNSR-UXHICEINSA-N 1 3 345.531 2.562 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001723689704 1424557917 /nfs/dbraw/zinc/55/79/17/1424557917.db2.gz BNEAVYJZXNYNST-APWZRJJASA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001723689704 1424557920 /nfs/dbraw/zinc/55/79/20/1424557920.db2.gz BNEAVYJZXNYNST-APWZRJJASA-N 1 3 330.476 2.621 10 30 EFEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@H]1C)C1CC[NH+](CCC(=C)C)CC1 ZINC001724064668 1424642875 /nfs/dbraw/zinc/64/28/75/1424642875.db2.gz HLUSQQYYYDGABS-RTBURBONSA-N 1 3 345.531 2.752 10 30 EFEEHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](F)CN(CC)CC)C2 ZINC001724125271 1424666825 /nfs/dbraw/zinc/66/68/25/1424666825.db2.gz CDLWVYMXYCDAMO-IEBWSBKVSA-N 1 3 339.499 2.557 10 30 EFEEHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](F)CN(CC)CC)C2 ZINC001724125271 1424666831 /nfs/dbraw/zinc/66/68/31/1424666831.db2.gz CDLWVYMXYCDAMO-IEBWSBKVSA-N 1 3 339.499 2.557 10 30 EFEEHO C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001724606427 1424823957 /nfs/dbraw/zinc/82/39/57/1424823957.db2.gz HITYOFVESXUGJX-WGSAOQKQSA-N 1 3 347.547 2.786 10 30 EFEEHO C=C(C)CN1CCc2c(CNC(=O)C[C@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001724776184 1425003439 /nfs/dbraw/zinc/00/34/39/1425003439.db2.gz HNVBYKLTNNXIAY-QGZVFWFLSA-N 1 3 341.499 2.579 10 30 EFEEHO C=C(C)CN1CCc2c(CNC(=O)C[C@H]3CC[N@H+](C)C3)cccc2C1 ZINC001724776184 1425003448 /nfs/dbraw/zinc/00/34/48/1425003448.db2.gz HNVBYKLTNNXIAY-QGZVFWFLSA-N 1 3 341.499 2.579 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC(C)C)[C@H](C)C2)CC1 ZINC001725000085 1425214118 /nfs/dbraw/zinc/21/41/18/1425214118.db2.gz FZNAXQLTPMOBNX-UYAOXDASSA-N 1 3 347.547 2.737 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC(C)C)[C@H](C)C2)CC1 ZINC001725000085 1425214123 /nfs/dbraw/zinc/21/41/23/1425214123.db2.gz FZNAXQLTPMOBNX-UYAOXDASSA-N 1 3 347.547 2.737 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001725031750 1425241221 /nfs/dbraw/zinc/24/12/21/1425241221.db2.gz BOMRRKPVMUMYRT-RTBURBONSA-N 1 3 341.499 2.809 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001725056248 1425268368 /nfs/dbraw/zinc/26/83/68/1425268368.db2.gz SHNOZHCEGMPEMD-LJQANCHMSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001725056248 1425268375 /nfs/dbraw/zinc/26/83/75/1425268375.db2.gz SHNOZHCEGMPEMD-LJQANCHMSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CC[NH2+][C@H](CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001725213036 1425382474 /nfs/dbraw/zinc/38/24/74/1425382474.db2.gz IHMBCNVHUQOWKF-VQIMIIECSA-N 1 3 341.515 2.848 10 30 EFEEHO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001725337288 1425481925 /nfs/dbraw/zinc/48/19/25/1425481925.db2.gz OWJZBTNKRBLEIB-OKZBNKHCSA-N 1 3 335.536 2.757 10 30 EFEEHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001725337288 1425481929 /nfs/dbraw/zinc/48/19/29/1425481929.db2.gz OWJZBTNKRBLEIB-OKZBNKHCSA-N 1 3 335.536 2.757 10 30 EFEEHO C=C1CCC(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000915501039 727082594 /nfs/dbraw/zinc/08/25/94/727082594.db2.gz YCAXGQZYIQQYRM-UHFFFAOYSA-N 1 3 348.535 2.591 10 30 EFEEHO C=CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801941 728252035 /nfs/dbraw/zinc/25/20/35/728252035.db2.gz ZZAAYLSMQOXKNY-QZTJIDSGSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940801941 728252037 /nfs/dbraw/zinc/25/20/37/728252037.db2.gz ZZAAYLSMQOXKNY-QZTJIDSGSA-N 1 3 333.520 2.796 10 30 EFEEHO CC#CCN1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092262 728398961 /nfs/dbraw/zinc/39/89/61/728398961.db2.gz CKKWQXOREVIFSJ-LJQANCHMSA-N 1 3 341.499 2.602 10 30 EFEEHO C#CCN(C(=O)CN(C)CCC)C1CC[NH+](CCC2CCCC2)CC1 ZINC001569595229 1085418614 /nfs/dbraw/zinc/41/86/14/1085418614.db2.gz IBOBMXANZLCSIS-UHFFFAOYSA-N 1 3 347.547 2.835 10 30 EFEEHO C#CCN1CCC([C@@H]2CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001569799515 1085615125 /nfs/dbraw/zinc/61/51/25/1085615125.db2.gz GDCIEFOSKVICQL-UXHICEINSA-N 1 3 347.547 2.691 10 30 EFEEHO C#CCN1CCC([C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001569799517 1085615592 /nfs/dbraw/zinc/61/55/92/1085615592.db2.gz GDCIEFOSKVICQL-WOJBJXKFSA-N 1 3 347.547 2.691 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1CC ZINC001569801138 1085617645 /nfs/dbraw/zinc/61/76/45/1085617645.db2.gz YYDOISBRRVOVBL-POAQFYNOSA-N 1 3 343.515 2.912 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1CC ZINC001569801138 1085617651 /nfs/dbraw/zinc/61/76/51/1085617651.db2.gz YYDOISBRRVOVBL-POAQFYNOSA-N 1 3 343.515 2.912 10 30 EFEEHO C=C(C)C[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1CC ZINC001569802440 1085619219 /nfs/dbraw/zinc/61/92/19/1085619219.db2.gz VHFLTHFDHZMMIW-PXNSSMCTSA-N 1 3 343.515 2.914 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001570026836 1085876110 /nfs/dbraw/zinc/87/61/10/1085876110.db2.gz LLILUVJXFJLHCC-WOJBJXKFSA-N 1 3 341.499 2.938 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001570026836 1085876115 /nfs/dbraw/zinc/87/61/15/1085876115.db2.gz LLILUVJXFJLHCC-WOJBJXKFSA-N 1 3 341.499 2.938 10 30 EFEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001570031371 1085882370 /nfs/dbraw/zinc/88/23/70/1085882370.db2.gz NCPWOMQYQBDPTR-FFZOFVMBSA-N 1 3 341.499 2.707 10 30 EFEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)cc1 ZINC001570031371 1085882381 /nfs/dbraw/zinc/88/23/81/1085882381.db2.gz NCPWOMQYQBDPTR-FFZOFVMBSA-N 1 3 341.499 2.707 10 30 EFEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001570031451 1085883859 /nfs/dbraw/zinc/88/38/59/1085883859.db2.gz PJEASIYADXZDLP-XLIONFOSSA-N 1 3 341.499 2.850 10 30 EFEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001570031451 1085883868 /nfs/dbraw/zinc/88/38/68/1085883868.db2.gz PJEASIYADXZDLP-XLIONFOSSA-N 1 3 341.499 2.850 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001570219635 1086060618 /nfs/dbraw/zinc/06/06/18/1086060618.db2.gz FEMFAQJFQOCLBH-RBUKOAKNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001570219635 1086060630 /nfs/dbraw/zinc/06/06/30/1086060630.db2.gz FEMFAQJFQOCLBH-RBUKOAKNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[NH2+]C1(C)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001570380899 1086183785 /nfs/dbraw/zinc/18/37/85/1086183785.db2.gz OKEAYTQPRKMEPL-IBGZPJMESA-N 1 3 339.499 2.746 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001570653291 1086437283 /nfs/dbraw/zinc/43/72/83/1086437283.db2.gz PKACBCCWOQPPPO-MSOLQXFVSA-N 1 3 347.547 2.785 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC001571059530 1086657789 /nfs/dbraw/zinc/65/77/89/1086657789.db2.gz MMXYOPNCKRRQLA-UIFIKXQLSA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC001571059530 1086657794 /nfs/dbraw/zinc/65/77/94/1086657794.db2.gz MMXYOPNCKRRQLA-UIFIKXQLSA-N 1 3 347.547 2.996 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)CCC[NH2+]CCC(C)(C)C)CC1 ZINC001571326088 1086724398 /nfs/dbraw/zinc/72/43/98/1086724398.db2.gz NKXKFYKGRSVYMN-KRWDZBQOSA-N 1 3 335.536 2.642 10 30 EFEEHO C=CCCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC001571467032 1086842093 /nfs/dbraw/zinc/84/20/93/1086842093.db2.gz FASURWOJEMLIFN-APWZRJJASA-N 1 3 329.488 2.907 10 30 EFEEHO C#CCCN(C)CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001571611541 1086987217 /nfs/dbraw/zinc/98/72/17/1086987217.db2.gz CWIANRJWWVGCMF-IBGZPJMESA-N 1 3 347.547 2.833 10 30 EFEEHO C#CCCN(C)CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001571611541 1086987220 /nfs/dbraw/zinc/98/72/20/1086987220.db2.gz CWIANRJWWVGCMF-IBGZPJMESA-N 1 3 347.547 2.833 10 30 EFEEHO C#CCCN(C)CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001571611542 1086987840 /nfs/dbraw/zinc/98/78/40/1086987840.db2.gz CWIANRJWWVGCMF-LJQANCHMSA-N 1 3 347.547 2.833 10 30 EFEEHO C#CCCN(C)CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001571611542 1086987842 /nfs/dbraw/zinc/98/78/42/1086987842.db2.gz CWIANRJWWVGCMF-LJQANCHMSA-N 1 3 347.547 2.833 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001571687153 1087049280 /nfs/dbraw/zinc/04/92/80/1087049280.db2.gz VAGGWJDMUWOPJG-PKOBYXMFSA-N 1 3 333.520 2.962 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001571687153 1087049282 /nfs/dbraw/zinc/04/92/82/1087049282.db2.gz VAGGWJDMUWOPJG-PKOBYXMFSA-N 1 3 333.520 2.962 10 30 EFEEHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]CC#Cc1ccccc1 ZINC001267144590 1092900932 /nfs/dbraw/zinc/90/09/32/1092900932.db2.gz BIJQNSQUHZATQX-SFHVURJKSA-N 1 3 343.515 2.500 10 30 EFEEHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1)N(C)C ZINC001267151889 1092929287 /nfs/dbraw/zinc/92/92/87/1092929287.db2.gz FKTSFNLVJOWQCF-CRAIPNDOSA-N 1 3 349.906 2.516 10 30 EFEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001267163873 1093011202 /nfs/dbraw/zinc/01/12/02/1093011202.db2.gz BJJPNPYDQVQLJB-IRXDYDNUSA-N 1 3 341.927 2.973 10 30 EFEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267163873 1093011214 /nfs/dbraw/zinc/01/12/14/1093011214.db2.gz BJJPNPYDQVQLJB-IRXDYDNUSA-N 1 3 341.927 2.973 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@H+](CC2CC(C)C2)C(C)C)CC1 ZINC001267512357 1095147888 /nfs/dbraw/zinc/14/78/88/1095147888.db2.gz IIFBDKOIKRPJTO-UHFFFAOYSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](CC2CC(C)C2)C(C)C)CC1 ZINC001267512357 1095147897 /nfs/dbraw/zinc/14/78/97/1095147897.db2.gz IIFBDKOIKRPJTO-UHFFFAOYSA-N 1 3 347.547 2.594 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001267521527 1095225263 /nfs/dbraw/zinc/22/52/63/1095225263.db2.gz SRKNZZWSUUSAAP-SFHVURJKSA-N 1 3 327.472 2.638 10 30 EFEEHO C#CC[NH2+]C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CCCCC1 ZINC001268121436 1095413004 /nfs/dbraw/zinc/41/30/04/1095413004.db2.gz ACMYUBXEFMNZEZ-MJGOQNOKSA-N 1 3 333.520 2.539 10 30 EFEEHO C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001267708081 1095556105 /nfs/dbraw/zinc/55/61/05/1095556105.db2.gz DXTLAFFIRFCWOD-OALUTQOASA-N 1 3 345.531 2.894 10 30 EFEEHO C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001267707966 1095557298 /nfs/dbraw/zinc/55/72/98/1095557298.db2.gz ILWZWIUCLNWEJJ-SFHVURJKSA-N 1 3 329.488 2.718 10 30 EFEEHO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001267707966 1095557311 /nfs/dbraw/zinc/55/73/11/1095557311.db2.gz ILWZWIUCLNWEJJ-SFHVURJKSA-N 1 3 329.488 2.718 10 30 EFEEHO C=CC[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001268164585 1095668015 /nfs/dbraw/zinc/66/80/15/1095668015.db2.gz BMVGWZBIUNGAKU-LJQANCHMSA-N 1 3 329.488 2.909 10 30 EFEEHO C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267588523 1096009505 /nfs/dbraw/zinc/00/95/05/1096009505.db2.gz CLJRBISACUQXRT-APWZRJJASA-N 1 3 339.499 2.555 10 30 EFEEHO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267588523 1096009514 /nfs/dbraw/zinc/00/95/14/1096009514.db2.gz CLJRBISACUQXRT-APWZRJJASA-N 1 3 339.499 2.555 10 30 EFEEHO CC[C@@H](CNC(=O)CC[N@H+](C)CC)NCC#Cc1ccc(Cl)cc1 ZINC001481866262 1096825340 /nfs/dbraw/zinc/82/53/40/1096825340.db2.gz OYOSZHSXYAQODO-SFHVURJKSA-N 1 3 349.906 2.518 10 30 EFEEHO CC[C@@H](CNC(=O)CC[N@@H+](C)CC)NCC#Cc1ccc(Cl)cc1 ZINC001481866262 1096825347 /nfs/dbraw/zinc/82/53/47/1096825347.db2.gz OYOSZHSXYAQODO-SFHVURJKSA-N 1 3 349.906 2.518 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001481883697 1096856648 /nfs/dbraw/zinc/85/66/48/1096856648.db2.gz YCCQWEPJNJHGAZ-YLJYHZDGSA-N 1 3 341.499 2.577 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001269553542 1098243147 /nfs/dbraw/zinc/24/31/47/1098243147.db2.gz VUBPHIJOSDHVKB-LJQANCHMSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001269553542 1098243150 /nfs/dbraw/zinc/24/31/50/1098243150.db2.gz VUBPHIJOSDHVKB-LJQANCHMSA-N 1 3 347.547 2.997 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001482232110 1098263478 /nfs/dbraw/zinc/26/34/78/1098263478.db2.gz ALAKISSJOVKXGN-CVEARBPZSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001482232110 1098263481 /nfs/dbraw/zinc/26/34/81/1098263481.db2.gz ALAKISSJOVKXGN-CVEARBPZSA-N 1 3 339.911 2.774 10 30 EFEEHO C=CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001269616871 1098295050 /nfs/dbraw/zinc/29/50/50/1098295050.db2.gz UDZLGGWJDFRFQL-IBGZPJMESA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001269616871 1098295055 /nfs/dbraw/zinc/29/50/55/1098295055.db2.gz UDZLGGWJDFRFQL-IBGZPJMESA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCCC[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001269708964 1098384191 /nfs/dbraw/zinc/38/41/91/1098384191.db2.gz NRYGWCJCOJUXAW-UHFFFAOYSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CC[NH2+]CCC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001269907667 1098514259 /nfs/dbraw/zinc/51/42/59/1098514259.db2.gz FKCLOXVSWPOCGA-LJQANCHMSA-N 1 3 339.499 2.603 10 30 EFEEHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001270511687 1099160793 /nfs/dbraw/zinc/16/07/93/1099160793.db2.gz DAPCFZARKMPHKC-NRFANRHFSA-N 1 3 345.531 2.590 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001270513007 1099163887 /nfs/dbraw/zinc/16/38/87/1099163887.db2.gz MSTOMXKSNAYVBO-TZIWHRDSSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001270513007 1099163895 /nfs/dbraw/zinc/16/38/95/1099163895.db2.gz MSTOMXKSNAYVBO-TZIWHRDSSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC001481365903 1099484555 /nfs/dbraw/zinc/48/45/55/1099484555.db2.gz BVUXFMGYBAQXFE-OALUTQOASA-N 1 3 329.488 2.882 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001481370892 1099502646 /nfs/dbraw/zinc/50/26/46/1099502646.db2.gz NTJXEEABGKPWPM-RBUKOAKNSA-N 1 3 329.488 2.882 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001481370892 1099502655 /nfs/dbraw/zinc/50/26/55/1099502655.db2.gz NTJXEEABGKPWPM-RBUKOAKNSA-N 1 3 329.488 2.882 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]CCC2=CCCCC2)CC1 ZINC001267832091 1099506301 /nfs/dbraw/zinc/50/63/01/1099506301.db2.gz XLISQCQIVUIXJM-FQEVSTJZSA-N 1 3 345.531 2.707 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]CC(CC)CC)CCCC2)CC1 ZINC001267846653 1099617335 /nfs/dbraw/zinc/61/73/35/1099617335.db2.gz IUSQPBCWINWJKK-UHFFFAOYSA-N 1 3 347.547 2.786 10 30 EFEEHO C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001270857085 1099768472 /nfs/dbraw/zinc/76/84/72/1099768472.db2.gz DBCCSFHVFLLBFF-IBGZPJMESA-N 1 3 347.547 2.999 10 30 EFEEHO CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)[C@@H]21 ZINC001656650488 1102149356 /nfs/dbraw/zinc/14/93/56/1102149356.db2.gz GHEAHADWPLMPEF-BHIYHBOVSA-N 1 3 347.547 2.593 10 30 EFEEHO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)[C@@H]21 ZINC001656650488 1102149361 /nfs/dbraw/zinc/14/93/61/1102149361.db2.gz GHEAHADWPLMPEF-BHIYHBOVSA-N 1 3 347.547 2.593 10 30 EFEEHO CC#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)CC(C)(C)C ZINC001656650490 1102150559 /nfs/dbraw/zinc/15/05/59/1102150559.db2.gz GHEAHADWPLMPEF-NZSAHSFTSA-N 1 3 347.547 2.593 10 30 EFEEHO CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)CC(C)(C)C ZINC001656650490 1102150562 /nfs/dbraw/zinc/15/05/62/1102150562.db2.gz GHEAHADWPLMPEF-NZSAHSFTSA-N 1 3 347.547 2.593 10 30 EFEEHO CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001266890183 1102603465 /nfs/dbraw/zinc/60/34/65/1102603465.db2.gz JBIJMNAJZQANLM-RTBURBONSA-N 1 3 347.547 2.881 10 30 EFEEHO CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001266890183 1102603466 /nfs/dbraw/zinc/60/34/66/1102603466.db2.gz JBIJMNAJZQANLM-RTBURBONSA-N 1 3 347.547 2.881 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001271783903 1102673547 /nfs/dbraw/zinc/67/35/47/1102673547.db2.gz ICUHALLTUNWPLX-MRXNPFEDSA-N 1 3 332.492 2.867 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001271783903 1102673551 /nfs/dbraw/zinc/67/35/51/1102673551.db2.gz ICUHALLTUNWPLX-MRXNPFEDSA-N 1 3 332.492 2.867 10 30 EFEEHO CC#CC[N@H+](C)CCC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001271785968 1102674970 /nfs/dbraw/zinc/67/49/70/1102674970.db2.gz ZAJYQYBQJUXBHS-UHFFFAOYSA-N 1 3 335.536 2.548 10 30 EFEEHO CC#CC[N@@H+](C)CCC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001271785968 1102674973 /nfs/dbraw/zinc/67/49/73/1102674973.db2.gz ZAJYQYBQJUXBHS-UHFFFAOYSA-N 1 3 335.536 2.548 10 30 EFEEHO C=C(C)CC[NH2+][C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001271900773 1103006944 /nfs/dbraw/zinc/00/69/44/1103006944.db2.gz KJWOGXLKKLEQLC-VQIMIIECSA-N 1 3 341.515 2.896 10 30 EFEEHO C=CCCC[NH+]1CCC(N(CCC)C(=O)CN2CC[C@H](C)C2)CC1 ZINC001661094996 1103127485 /nfs/dbraw/zinc/12/74/85/1103127485.db2.gz UZDYKIBXJHXFEM-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CCC2CCCC2)C(C)C)CC1 ZINC001271942761 1103133448 /nfs/dbraw/zinc/13/34/48/1103133448.db2.gz WFRSJPFPAYSYMW-HXUWFJFHSA-N 1 3 347.547 2.642 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+](CCCC(C)C)C2)CC1 ZINC001661752509 1103407607 /nfs/dbraw/zinc/40/76/07/1103407607.db2.gz KSIHGJCVRKPNHQ-LJQANCHMSA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+](CCCC(C)C)C2)CC1 ZINC001661752509 1103407619 /nfs/dbraw/zinc/40/76/19/1103407619.db2.gz KSIHGJCVRKPNHQ-LJQANCHMSA-N 1 3 347.547 2.596 10 30 EFEEHO CC#CCNC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001661943733 1103514620 /nfs/dbraw/zinc/51/46/20/1103514620.db2.gz SARUWSBXPVXWEK-PMACEKPBSA-N 1 3 345.531 2.778 10 30 EFEEHO CC#CCNC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001661943733 1103514624 /nfs/dbraw/zinc/51/46/24/1103514624.db2.gz SARUWSBXPVXWEK-PMACEKPBSA-N 1 3 345.531 2.778 10 30 EFEEHO CC#CCNC[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001661943736 1103515479 /nfs/dbraw/zinc/51/54/79/1103515479.db2.gz SARUWSBXPVXWEK-WOJBJXKFSA-N 1 3 345.531 2.778 10 30 EFEEHO CC#CCNC[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001661943736 1103515486 /nfs/dbraw/zinc/51/54/86/1103515486.db2.gz SARUWSBXPVXWEK-WOJBJXKFSA-N 1 3 345.531 2.778 10 30 EFEEHO C=C(Cl)CNCCCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001483474491 1103781316 /nfs/dbraw/zinc/78/13/16/1103781316.db2.gz JIPMSADWKUYOSD-UHFFFAOYSA-N 1 3 329.916 2.830 10 30 EFEEHO C=C(Cl)CNCCCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001483474491 1103781323 /nfs/dbraw/zinc/78/13/23/1103781323.db2.gz JIPMSADWKUYOSD-UHFFFAOYSA-N 1 3 329.916 2.830 10 30 EFEEHO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001664185716 1104310402 /nfs/dbraw/zinc/31/04/02/1104310402.db2.gz ABQMEZVCKCTICZ-MAUKXSAKSA-N 1 3 327.488 2.602 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC2CCCC2)CC(C)C)CC1 ZINC001667118328 1105055332 /nfs/dbraw/zinc/05/53/32/1105055332.db2.gz POCIJWFLXAKUFG-FQEVSTJZSA-N 1 3 347.547 2.642 10 30 EFEEHO CC#CC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1CCCCC1 ZINC001667134862 1105059482 /nfs/dbraw/zinc/05/94/82/1105059482.db2.gz NBRLDYPJYOCXMX-LJQANCHMSA-N 1 3 347.547 2.929 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001667262383 1105101832 /nfs/dbraw/zinc/10/18/32/1105101832.db2.gz JHJHEADZJWGQMR-MRXNPFEDSA-N 1 3 327.900 2.584 10 30 EFEEHO C=CCC[NH+]1CCC(C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001671429052 1105636274 /nfs/dbraw/zinc/63/62/74/1105636274.db2.gz VQUPNOQJTCIBTJ-IBGZPJMESA-N 1 3 339.499 2.746 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CCCN1C(C)C)C1CC[NH+](CCCC)CC1 ZINC001671476960 1105642561 /nfs/dbraw/zinc/64/25/61/1105642561.db2.gz CAYKQEBOBUQEDQ-IBGZPJMESA-N 1 3 333.520 2.586 10 30 EFEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001671508032 1105647725 /nfs/dbraw/zinc/64/77/25/1105647725.db2.gz MOSYPEDDHMTIQX-IBGZPJMESA-N 1 3 349.563 2.935 10 30 EFEEHO C#CCN1CCC(C(=O)NCC2(C)CC[NH+](CCC(=C)C)CC2)CC1 ZINC001671868168 1105715653 /nfs/dbraw/zinc/71/56/53/1105715653.db2.gz PMFQHPJYWLRFAO-UHFFFAOYSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](CCCC=C)C2)CC1 ZINC001671916380 1105730266 /nfs/dbraw/zinc/73/02/66/1105730266.db2.gz KPFGYMCNYYXCEO-OAQYLSRUSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](CCCC=C)C2)CC1 ZINC001671916380 1105730271 /nfs/dbraw/zinc/73/02/71/1105730271.db2.gz KPFGYMCNYYXCEO-OAQYLSRUSA-N 1 3 345.531 2.516 10 30 EFEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CCC)cc1 ZINC001672938007 1105944357 /nfs/dbraw/zinc/94/43/57/1105944357.db2.gz OUYQNRYCCHDDCP-PXNSSMCTSA-N 1 3 341.499 2.851 10 30 EFEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)cc1 ZINC001672938007 1105944361 /nfs/dbraw/zinc/94/43/61/1105944361.db2.gz OUYQNRYCCHDDCP-PXNSSMCTSA-N 1 3 341.499 2.851 10 30 EFEEHO C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001673496497 1106034923 /nfs/dbraw/zinc/03/49/23/1106034923.db2.gz NDPORCJSDXAAKL-RTBURBONSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001673496497 1106034928 /nfs/dbraw/zinc/03/49/28/1106034928.db2.gz NDPORCJSDXAAKL-RTBURBONSA-N 1 3 335.536 2.853 10 30 EFEEHO C#CCN1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](CCC)CCC)C2 ZINC001673650542 1106067513 /nfs/dbraw/zinc/06/75/13/1106067513.db2.gz KIEWQLPERLZAEV-NRFANRHFSA-N 1 3 347.547 2.836 10 30 EFEEHO C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)CN(C)C(C)C)cc2C1 ZINC001673769631 1106084953 /nfs/dbraw/zinc/08/49/53/1106084953.db2.gz PFPBDLBNMIKPGI-UHFFFAOYSA-N 1 3 329.488 2.925 10 30 EFEEHO C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)CN(C)C(C)C)cc2C1 ZINC001673769631 1106084957 /nfs/dbraw/zinc/08/49/57/1106084957.db2.gz PFPBDLBNMIKPGI-UHFFFAOYSA-N 1 3 329.488 2.925 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001674775897 1106254898 /nfs/dbraw/zinc/25/48/98/1106254898.db2.gz YNXKJIJIZQENMT-ROUUACIJSA-N 1 3 345.531 2.705 10 30 EFEEHO C=CC[NH2+]CC1(NC(=O)c2cccc(CN(C)C)c2)CCCCC1 ZINC001675213462 1106316788 /nfs/dbraw/zinc/31/67/88/1106316788.db2.gz HZZBASCJASJQGQ-UHFFFAOYSA-N 1 3 329.488 2.957 10 30 EFEEHO C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001675234688 1106321045 /nfs/dbraw/zinc/32/10/45/1106321045.db2.gz ZOVIMAAVKQBQFN-CRAIPNDOSA-N 1 3 327.488 2.650 10 30 EFEEHO C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001675234691 1106321161 /nfs/dbraw/zinc/32/11/61/1106321161.db2.gz ZOVIMAAVKQBQFN-YJBOKZPZSA-N 1 3 327.488 2.650 10 30 EFEEHO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001675672919 1106408155 /nfs/dbraw/zinc/40/81/55/1106408155.db2.gz LHGKSODDGRSCMI-UHFFFAOYSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001675672919 1106408156 /nfs/dbraw/zinc/40/81/56/1106408156.db2.gz LHGKSODDGRSCMI-UHFFFAOYSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001676074788 1106480892 /nfs/dbraw/zinc/48/08/92/1106480892.db2.gz SPVDDMZFCULIRK-GOSISDBHSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001676074788 1106480895 /nfs/dbraw/zinc/48/08/95/1106480895.db2.gz SPVDDMZFCULIRK-GOSISDBHSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC001676837695 1106599058 /nfs/dbraw/zinc/59/90/58/1106599058.db2.gz LSCDEQWHJRRKTD-OKZBNKHCSA-N 1 3 333.520 2.654 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC001676839198 1106601302 /nfs/dbraw/zinc/60/13/02/1106601302.db2.gz ZSAKRGGTKJCGPX-NZSAHSFTSA-N 1 3 333.520 2.654 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC001676839197 1106601433 /nfs/dbraw/zinc/60/14/33/1106601433.db2.gz ZSAKRGGTKJCGPX-BHIYHBOVSA-N 1 3 333.520 2.654 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CCCC(C)C)C(C)(C)C)CC1 ZINC001677306077 1106694874 /nfs/dbraw/zinc/69/48/74/1106694874.db2.gz AQHOQXMCZZWEJL-IBGZPJMESA-N 1 3 349.563 2.888 10 30 EFEEHO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001272565868 1108673645 /nfs/dbraw/zinc/67/36/45/1108673645.db2.gz PIFCSBNZROWBCU-VQIMIIECSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001483849110 1112510579 /nfs/dbraw/zinc/51/05/79/1112510579.db2.gz QNQGRRFPGOUEEM-FQEVSTJZSA-N 1 3 335.536 2.999 10 30 EFEEHO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001483849110 1112510585 /nfs/dbraw/zinc/51/05/85/1112510585.db2.gz QNQGRRFPGOUEEM-FQEVSTJZSA-N 1 3 335.536 2.999 10 30 EFEEHO C#CCN(C(=O)[C@H]1CCCN1C(C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001483983930 1112629561 /nfs/dbraw/zinc/62/95/61/1112629561.db2.gz FEJLGJMACFVQPL-HXUWFJFHSA-N 1 3 345.531 2.586 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001484019307 1112670662 /nfs/dbraw/zinc/67/06/62/1112670662.db2.gz ACMQGBBGFQBBHP-UYAOXDASSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001484019307 1112670664 /nfs/dbraw/zinc/67/06/64/1112670664.db2.gz ACMQGBBGFQBBHP-UYAOXDASSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001484022870 1112675784 /nfs/dbraw/zinc/67/57/84/1112675784.db2.gz QWUYDCAZCFDYSM-FQEVSTJZSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001484022870 1112675785 /nfs/dbraw/zinc/67/57/85/1112675785.db2.gz QWUYDCAZCFDYSM-FQEVSTJZSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001484022871 1112675833 /nfs/dbraw/zinc/67/58/33/1112675833.db2.gz QWUYDCAZCFDYSM-HXUWFJFHSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001484022871 1112675835 /nfs/dbraw/zinc/67/58/35/1112675835.db2.gz QWUYDCAZCFDYSM-HXUWFJFHSA-N 1 3 335.536 2.855 10 30 EFEEHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001484022938 1112676352 /nfs/dbraw/zinc/67/63/52/1112676352.db2.gz RRRINYZHNXPKKU-CTNGQTDRSA-N 1 3 347.547 2.835 10 30 EFEEHO C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001484562812 1113024936 /nfs/dbraw/zinc/02/49/36/1113024936.db2.gz GVKOFQNDDYKMEX-YLJYHZDGSA-N 1 3 341.499 2.851 10 30 EFEEHO C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)C ZINC001485004423 1117933958 /nfs/dbraw/zinc/93/39/58/1117933958.db2.gz NNKZDRQPSDYHGE-IBGZPJMESA-N 1 3 329.488 2.620 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCCC=C)CC1 ZINC001485484547 1118391348 /nfs/dbraw/zinc/39/13/48/1118391348.db2.gz HYBQNIPHCGZKTL-FQEVSTJZSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCCC=C)CC1 ZINC001485484547 1118391352 /nfs/dbraw/zinc/39/13/52/1118391352.db2.gz HYBQNIPHCGZKTL-FQEVSTJZSA-N 1 3 345.531 2.659 10 30 EFEEHO N#C[C@H]1CCC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000414296945 283065302 /nfs/dbraw/zinc/06/53/02/283065302.db2.gz FWGNIVJADATDJB-OALUTQOASA-N 1 3 327.472 2.685 10 30 EFEEHO C[C@@H]1CCCN(C(=[NH2+])NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000262430895 240351995 /nfs/dbraw/zinc/35/19/95/240351995.db2.gz DWRDTYOFRDNQAI-LRVUVFPRSA-N 1 3 346.441 2.838 10 30 EFEEHO COC1CCN(C2(CNC(=[NH2+])NC3CCCCC3)CCCC2)CC1 ZINC000262503229 240356731 /nfs/dbraw/zinc/35/67/31/240356731.db2.gz AQCVLBMEKFHWRL-UHFFFAOYSA-N 1 3 336.524 2.647 10 30 EFEEHO CCN1CC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113323927 544569936 /nfs/dbraw/zinc/56/99/36/544569936.db2.gz QXNXQSXJXCKZIN-KRWDZBQOSA-N 1 3 337.471 2.895 10 30 EFEEHO N#Cc1ccc(OCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000567645831 319192002 /nfs/dbraw/zinc/19/20/02/319192002.db2.gz BWNWDKWYELUOCP-CTNGQTDRSA-N 1 3 349.434 2.783 10 30 EFEEHO C=CCCCN(C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000076734305 472393496 /nfs/dbraw/zinc/39/34/96/472393496.db2.gz HURMPCRNFPZQQM-UHFFFAOYSA-N 1 3 343.515 2.974 10 30 EFEEHO CCN1CC[NH+](C[C@H](C)CNC(=NC(C)C)c2cccs2)CC1 ZINC000071843657 472582161 /nfs/dbraw/zinc/58/21/61/472582161.db2.gz BLNNHWFEPWLRFH-MRXNPFEDSA-N 1 3 336.549 2.766 10 30 EFEEHO CC(C)CN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000130834753 472631993 /nfs/dbraw/zinc/63/19/93/472631993.db2.gz OIVHWBVYMUTSEE-WBVHZDCISA-N 1 3 330.476 2.535 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000106341041 472842290 /nfs/dbraw/zinc/84/22/90/472842290.db2.gz CALXYLOZZAGZQS-UHFFFAOYSA-N 1 3 348.535 2.544 10 30 EFEEHO C[C@H]1CCC[N@H+](CCCCNCc2cnc3ccc(C#N)cn23)C1 ZINC000123313790 473126446 /nfs/dbraw/zinc/12/64/46/473126446.db2.gz UBXYLLYROVYFKU-INIZCTEOSA-N 1 3 325.460 2.808 10 30 EFEEHO C[C@H]1CCC[N@@H+](CCCCNCc2cnc3ccc(C#N)cn23)C1 ZINC000123313790 473126452 /nfs/dbraw/zinc/12/64/52/473126452.db2.gz UBXYLLYROVYFKU-INIZCTEOSA-N 1 3 325.460 2.808 10 30 EFEEHO CN1CCC(C[NH2+]Cc2cccc(C#N)c2)(N2CCCCC2)CC1 ZINC000174581906 474066808 /nfs/dbraw/zinc/06/68/08/474066808.db2.gz DTUJHMZMZVYETB-UHFFFAOYSA-N 1 3 326.488 2.598 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000341096419 474969864 /nfs/dbraw/zinc/96/98/64/474969864.db2.gz JOWRCZDFYBACIU-IRXDYDNUSA-N 1 3 336.524 2.589 10 30 EFEEHO C=CCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000354017958 476367821 /nfs/dbraw/zinc/36/78/21/476367821.db2.gz NHZQZEBUMXFDQW-WIYYLYMNSA-N 1 3 343.515 2.709 10 30 EFEEHO C=CCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000354017958 476367826 /nfs/dbraw/zinc/36/78/26/476367826.db2.gz NHZQZEBUMXFDQW-WIYYLYMNSA-N 1 3 343.515 2.709 10 30 EFEEHO C=CCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000354017955 476368047 /nfs/dbraw/zinc/36/80/47/476368047.db2.gz NHZQZEBUMXFDQW-GHTZIAJQSA-N 1 3 343.515 2.709 10 30 EFEEHO C=CCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000354017955 476368052 /nfs/dbraw/zinc/36/80/52/476368052.db2.gz NHZQZEBUMXFDQW-GHTZIAJQSA-N 1 3 343.515 2.709 10 30 EFEEHO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000354026422 476375390 /nfs/dbraw/zinc/37/53/90/476375390.db2.gz SUHBYKMIAWFZFO-AZUAARDMSA-N 1 3 343.515 2.709 10 30 EFEEHO C=CCOc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000354026422 476375396 /nfs/dbraw/zinc/37/53/96/476375396.db2.gz SUHBYKMIAWFZFO-AZUAARDMSA-N 1 3 343.515 2.709 10 30 EFEEHO C=CCOc1ccccc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415121916 476907806 /nfs/dbraw/zinc/90/78/06/476907806.db2.gz HTMKMYJUGZWOTC-AZUAARDMSA-N 1 3 330.472 2.970 10 30 EFEEHO C=CCOc1ccccc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415123594 476908130 /nfs/dbraw/zinc/90/81/30/476908130.db2.gz LHUYBUJBFMJGJX-UYAOXDASSA-N 1 3 330.472 2.970 10 30 EFEEHO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000424177519 477317866 /nfs/dbraw/zinc/31/78/66/477317866.db2.gz UHNBJUVUYNGWJP-RXVVDRJESA-N 1 3 343.515 2.898 10 30 EFEEHO CC[NH+]1CCC(NC(=O)CN[C@H](CCCC#N)c2ccccc2)CC1 ZINC000411759607 477357411 /nfs/dbraw/zinc/35/74/11/477357411.db2.gz QMFJQILYFLWUKQ-LJQANCHMSA-N 1 3 342.487 2.612 10 30 EFEEHO N#CCCCC[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000594426033 478379079 /nfs/dbraw/zinc/37/90/79/478379079.db2.gz ONZFLMVPRXDEAP-KRWDZBQOSA-N 1 3 334.508 2.703 10 30 EFEEHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594436825 478387493 /nfs/dbraw/zinc/38/74/93/478387493.db2.gz GGTKMVWQEDZFNT-NZSAHSFTSA-N 1 3 342.487 2.567 10 30 EFEEHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594436825 478387498 /nfs/dbraw/zinc/38/74/98/478387498.db2.gz GGTKMVWQEDZFNT-NZSAHSFTSA-N 1 3 342.487 2.567 10 30 EFEEHO N#CCCCC[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000594439563 478389747 /nfs/dbraw/zinc/38/97/47/478389747.db2.gz XIPSGYQCZZQEOR-MSOLQXFVSA-N 1 3 334.508 2.512 10 30 EFEEHO N#CC1(C[C@@H](O)CNCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000600714327 478481024 /nfs/dbraw/zinc/48/10/24/478481024.db2.gz LDAMGLOSPMHPRR-LJQANCHMSA-N 1 3 327.472 2.817 10 30 EFEEHO CCC1([NH+](C)C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000601791884 479007587 /nfs/dbraw/zinc/00/75/87/479007587.db2.gz PGNINQVHNZDUJX-SFHVURJKSA-N 1 3 338.455 2.573 10 30 EFEEHO C=CCC[C@@H](NC1CCN(C(=O)CCC[NH2+]C)CC1)c1ccco1 ZINC000665288915 481772525 /nfs/dbraw/zinc/77/25/25/481772525.db2.gz AQLQYVKEPWSOLB-QGZVFWFLSA-N 1 3 333.476 2.867 10 30 EFEEHO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000651699130 481909975 /nfs/dbraw/zinc/90/99/75/481909975.db2.gz HYHWJEFHWZYVLS-APWZRJJASA-N 1 3 329.488 2.812 10 30 EFEEHO C=CC[C@@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC000662666875 481923377 /nfs/dbraw/zinc/92/33/77/481923377.db2.gz WXKXTMFYXFVRPD-ICSRJNTNSA-N 1 3 327.472 2.638 10 30 EFEEHO C=CC[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000651743569 481929247 /nfs/dbraw/zinc/92/92/47/481929247.db2.gz ZUGMGBPKQNRTIC-SXLOBPIMSA-N 1 3 343.515 2.610 10 30 EFEEHO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000651752488 481933347 /nfs/dbraw/zinc/93/33/47/481933347.db2.gz IHQLQNZWTQYJKS-QFBILLFUSA-N 1 3 329.488 2.812 10 30 EFEEHO C=CC[C@]1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662693792 481936998 /nfs/dbraw/zinc/93/69/98/481936998.db2.gz RAXJZNGGVDLBJY-PZJWPPBQSA-N 1 3 341.499 2.713 10 30 EFEEHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691417029 1248757677 /nfs/dbraw/zinc/75/76/77/1248757677.db2.gz SRCKKBNJPUNNMO-OALUTQOASA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CCC2CCCCCC2)CC1 ZINC001772517030 1247933753 /nfs/dbraw/zinc/93/37/53/1247933753.db2.gz DBNLWWPPQAJDJL-SFHVURJKSA-N 1 3 347.547 2.786 10 30 EFEEHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691057960 1248319083 /nfs/dbraw/zinc/31/90/83/1248319083.db2.gz FPPHMUZYIFGIMH-LPHOPBHVSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001691057960 1248319096 /nfs/dbraw/zinc/31/90/96/1248319096.db2.gz FPPHMUZYIFGIMH-LPHOPBHVSA-N 1 3 339.499 2.698 10 30 EFEEHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC/C=C\CCC)CC1 ZINC001691075528 1248364165 /nfs/dbraw/zinc/36/41/65/1248364165.db2.gz TYXPUYZHUDDRSO-AQWUKCDYSA-N 1 3 345.531 2.611 10 30 EFEEHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC/C=C\CCC)CC1 ZINC001691075528 1248364174 /nfs/dbraw/zinc/36/41/74/1248364174.db2.gz TYXPUYZHUDDRSO-AQWUKCDYSA-N 1 3 345.531 2.611 10 30 EFEEHO C=C(C)CC[N@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001691225739 1248551897 /nfs/dbraw/zinc/55/18/97/1248551897.db2.gz NEHSMPSFURXXGV-LJQANCHMSA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(C)CC[N@@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001691225739 1248551905 /nfs/dbraw/zinc/55/19/05/1248551905.db2.gz NEHSMPSFURXXGV-LJQANCHMSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001484455026 1252627345 /nfs/dbraw/zinc/62/73/45/1252627345.db2.gz HVRZZXXESOHGHT-OTWHNJEPSA-N 1 3 333.520 2.891 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001484455026 1252627352 /nfs/dbraw/zinc/62/73/52/1252627352.db2.gz HVRZZXXESOHGHT-OTWHNJEPSA-N 1 3 333.520 2.891 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC/C=C/CC)CC2)CC1 ZINC001484727855 1252818081 /nfs/dbraw/zinc/81/80/81/1252818081.db2.gz HDFJXSGNGDZRBV-RRFGBZISSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC/C=C/CC)CC2)CC1 ZINC001484727855 1252818090 /nfs/dbraw/zinc/81/80/90/1252818090.db2.gz HDFJXSGNGDZRBV-RRFGBZISSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001670919575 1258634343 /nfs/dbraw/zinc/63/43/43/1258634343.db2.gz WTSNWKMRWXHLQW-IBGZPJMESA-N 1 3 347.547 2.548 10 30 EFEEHO C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001670919575 1258634355 /nfs/dbraw/zinc/63/43/55/1258634355.db2.gz WTSNWKMRWXHLQW-IBGZPJMESA-N 1 3 347.547 2.548 10 30 EFEEHO C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001670923567 1258702040 /nfs/dbraw/zinc/70/20/40/1258702040.db2.gz NTOTYCOGHBFJHE-ROUUACIJSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001670923567 1258702048 /nfs/dbraw/zinc/70/20/48/1258702048.db2.gz NTOTYCOGHBFJHE-ROUUACIJSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001671044087 1259930182 /nfs/dbraw/zinc/93/01/82/1259930182.db2.gz BATAKSJXPVNYNR-QUCCMNQESA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCC)C2)C1 ZINC001671044087 1259930189 /nfs/dbraw/zinc/93/01/89/1259930189.db2.gz BATAKSJXPVNYNR-QUCCMNQESA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CN1CCc2c(CNC(=O)CC[N@@H+](C)CC)cccc2C1 ZINC001272916843 1261327849 /nfs/dbraw/zinc/32/78/49/1261327849.db2.gz IUHFWJMIZQUKLI-UHFFFAOYSA-N 1 3 329.488 2.579 10 30 EFEEHO C=C(C)CN1CCc2c(CNC(=O)CC[N@H+](C)CC)cccc2C1 ZINC001272916843 1261327856 /nfs/dbraw/zinc/32/78/56/1261327856.db2.gz IUHFWJMIZQUKLI-UHFFFAOYSA-N 1 3 329.488 2.579 10 30 EFEEHO C=CCN1CCc2c(CNC(=O)CC3CC[NH+](C)CC3)cccc2C1 ZINC001272916730 1261327882 /nfs/dbraw/zinc/32/78/82/1261327882.db2.gz HJKDTDUJFCZEAF-UHFFFAOYSA-N 1 3 341.499 2.579 10 30 EFEEHO C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001486222629 1262827858 /nfs/dbraw/zinc/82/78/58/1262827858.db2.gz YUKGTPJIPCBJKA-LPHOPBHVSA-N 1 3 329.488 2.812 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC/C=C/CC)C2)CC1 ZINC001486222669 1262828043 /nfs/dbraw/zinc/82/80/43/1262828043.db2.gz ZETJZGDYPAMQRI-RJOJHWARSA-N 1 3 345.531 2.562 10 30 EFEEHO C=CCNCc1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)c(F)c1 ZINC001486525143 1263329534 /nfs/dbraw/zinc/32/95/34/1263329534.db2.gz CSPIWYWLWHVELG-UHFFFAOYSA-N 1 3 347.478 2.838 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000876739840 1290999296 /nfs/dbraw/zinc/99/92/96/1290999296.db2.gz JIGAJIDNENJODE-OAGGEKHMSA-N 1 3 327.900 2.569 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000876739840 1290999300 /nfs/dbraw/zinc/99/93/00/1290999300.db2.gz JIGAJIDNENJODE-OAGGEKHMSA-N 1 3 327.900 2.569 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000876754232 1291006910 /nfs/dbraw/zinc/00/69/10/1291006910.db2.gz DAHCHPABWYRIQI-WMLDXEAASA-N 1 3 335.879 2.798 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000876764055 1291010756 /nfs/dbraw/zinc/01/07/56/1291010756.db2.gz NFWYPQQVHFUJGU-HQSKLWIPSA-N 1 3 347.890 2.768 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000876764055 1291010762 /nfs/dbraw/zinc/01/07/62/1291010762.db2.gz NFWYPQQVHFUJGU-HQSKLWIPSA-N 1 3 347.890 2.768 10 30 EFEEHO C=C(C)CC[NH2+]CCN(CC)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001273610038 1292357293 /nfs/dbraw/zinc/35/72/93/1292357293.db2.gz HZDGWBOREKQTMU-SFHVURJKSA-N 1 3 327.488 2.603 10 30 EFEEHO C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001276333056 1292836019 /nfs/dbraw/zinc/83/60/19/1292836019.db2.gz DAPIEBYYQHTEAW-WOJBJXKFSA-N 1 3 347.547 2.881 10 30 EFEEHO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001276333056 1292836030 /nfs/dbraw/zinc/83/60/30/1292836030.db2.gz DAPIEBYYQHTEAW-WOJBJXKFSA-N 1 3 347.547 2.881 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001490765080 1299211971 /nfs/dbraw/zinc/21/19/71/1299211971.db2.gz BYNGJJIAJDWBOT-MSOLQXFVSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001490765080 1299211979 /nfs/dbraw/zinc/21/19/79/1299211979.db2.gz BYNGJJIAJDWBOT-MSOLQXFVSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CCCC(C)C)CC1 ZINC001278163296 1313730432 /nfs/dbraw/zinc/73/04/32/1313730432.db2.gz GILXJDZHGMDUMQ-LJQANCHMSA-N 1 3 335.536 2.689 10 30 EFEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001278200239 1313780827 /nfs/dbraw/zinc/78/08/27/1313780827.db2.gz APBOGWZMYWSQLK-SFHVURJKSA-N 1 3 333.520 2.608 10 30 EFEEHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001490805075 1303956761 /nfs/dbraw/zinc/95/67/61/1303956761.db2.gz CREXLKRHIXQRSQ-BGYRXZFFSA-N 1 3 345.531 2.750 10 30 EFEEHO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001276624616 1314117272 /nfs/dbraw/zinc/11/72/72/1314117272.db2.gz KYOKDQJONVPHEY-QZTJIDSGSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001276624616 1314117275 /nfs/dbraw/zinc/11/72/75/1314117275.db2.gz KYOKDQJONVPHEY-QZTJIDSGSA-N 1 3 335.536 2.900 10 30 EFEEHO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCCCCC)C[C@H]2C1 ZINC001276838998 1311185341 /nfs/dbraw/zinc/18/53/41/1311185341.db2.gz FHQROGDVKCBMPI-SLFFLAALSA-N 1 3 347.547 2.739 10 30 EFEEHO CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCCCCC)C[C@H]2C1 ZINC001276838998 1311185343 /nfs/dbraw/zinc/18/53/43/1311185343.db2.gz FHQROGDVKCBMPI-SLFFLAALSA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@]1(C)CCCCO1 ZINC000902981609 1312259169 /nfs/dbraw/zinc/25/91/69/1312259169.db2.gz PSVOXDNPAQHPHO-UYAOXDASSA-N 1 3 337.552 2.896 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001277515994 1312505598 /nfs/dbraw/zinc/50/55/98/1312505598.db2.gz DWLMGWCKGJTFST-PXNSSMCTSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001277515994 1312505601 /nfs/dbraw/zinc/50/56/01/1312505601.db2.gz DWLMGWCKGJTFST-PXNSSMCTSA-N 1 3 333.520 2.750 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001278449768 1314633187 /nfs/dbraw/zinc/63/31/87/1314633187.db2.gz ILOMXLQGNXQSPL-RXVVDRJESA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001278449768 1314633190 /nfs/dbraw/zinc/63/31/90/1314633190.db2.gz ILOMXLQGNXQSPL-RXVVDRJESA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001278449766 1314633271 /nfs/dbraw/zinc/63/32/71/1314633271.db2.gz ILOMXLQGNXQSPL-GHTZIAJQSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001278449766 1314633275 /nfs/dbraw/zinc/63/32/75/1314633275.db2.gz ILOMXLQGNXQSPL-GHTZIAJQSA-N 1 3 347.547 2.594 10 30 EFEEHO C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001266110104 1317050412 /nfs/dbraw/zinc/05/04/12/1317050412.db2.gz ANRWPGIVRFKFMD-VQIMIIECSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001266110104 1317050420 /nfs/dbraw/zinc/05/04/20/1317050420.db2.gz ANRWPGIVRFKFMD-VQIMIIECSA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001279288500 1317226407 /nfs/dbraw/zinc/22/64/07/1317226407.db2.gz HIKDMRHPYGXYJM-VJANTYMQSA-N 1 3 335.536 2.948 10 30 EFEEHO C=CCC[NH+]1CCC(C2(NC(=O)CN(C)CC(C)(C)C)CC2)CC1 ZINC001279367825 1317247604 /nfs/dbraw/zinc/24/76/04/1317247604.db2.gz ASPXIYFGPOQEDX-UHFFFAOYSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001279395557 1317255831 /nfs/dbraw/zinc/25/58/31/1317255831.db2.gz LHVOVVFKLCSEEA-CEXWTWQISA-N 1 3 335.536 2.709 10 30 EFEEHO C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001279395557 1317255839 /nfs/dbraw/zinc/25/58/39/1317255839.db2.gz LHVOVVFKLCSEEA-CEXWTWQISA-N 1 3 335.536 2.709 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001280325691 1317508187 /nfs/dbraw/zinc/50/81/87/1317508187.db2.gz YYZUUKYWVMANBI-UHFFFAOYSA-N 1 3 341.499 2.797 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001280388102 1317537644 /nfs/dbraw/zinc/53/76/44/1317537644.db2.gz NAAYVMUHAPCCFX-KRWDZBQOSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001280889105 1317880160 /nfs/dbraw/zinc/88/01/60/1317880160.db2.gz JVWJASNBTZRLBS-OALUTQOASA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001280889105 1317880164 /nfs/dbraw/zinc/88/01/64/1317880164.db2.gz JVWJASNBTZRLBS-OALUTQOASA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001318897107 1328735720 /nfs/dbraw/zinc/73/57/20/1328735720.db2.gz RDNMJUSKHCPVKQ-INIZCTEOSA-N 1 3 329.916 2.543 10 30 EFEEHO CC#CCNCc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001319000264 1328760865 /nfs/dbraw/zinc/76/08/65/1328760865.db2.gz LNVDMLAXTHNNHD-SFHVURJKSA-N 1 3 341.499 2.680 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCC2CCCCC2)CC1 ZINC001282497829 1318971600 /nfs/dbraw/zinc/97/16/00/1318971600.db2.gz REAWRGNMSWUXHS-GOSISDBHSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCC2CCCCC2)CC1 ZINC001282497829 1318971606 /nfs/dbraw/zinc/97/16/06/1318971606.db2.gz REAWRGNMSWUXHS-GOSISDBHSA-N 1 3 347.547 2.739 10 30 EFEEHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001282674495 1319064628 /nfs/dbraw/zinc/06/46/28/1319064628.db2.gz FHKYGWGEHWGSEY-VQIMIIECSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001282674495 1319064638 /nfs/dbraw/zinc/06/46/38/1319064638.db2.gz FHKYGWGEHWGSEY-VQIMIIECSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001282744684 1319106668 /nfs/dbraw/zinc/10/66/68/1319106668.db2.gz PYMHENGOEFWBKZ-BEFAXECRSA-N 1 3 339.499 2.602 10 30 EFEEHO C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001282834793 1319153102 /nfs/dbraw/zinc/15/31/02/1319153102.db2.gz VZQUEEUGBYNPOQ-ZWKOTPCHSA-N 1 3 335.536 2.900 10 30 EFEEHO C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001282834793 1319153107 /nfs/dbraw/zinc/15/31/07/1319153107.db2.gz VZQUEEUGBYNPOQ-ZWKOTPCHSA-N 1 3 335.536 2.900 10 30 EFEEHO C=C(C)C[NH2+]C[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001284633753 1320450290 /nfs/dbraw/zinc/45/02/90/1320450290.db2.gz ZTNFKLVLCPNGRL-BEFAXECRSA-N 1 3 341.515 2.896 10 30 EFEEHO CC#CCNC[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001319633682 1328934093 /nfs/dbraw/zinc/93/40/93/1328934093.db2.gz KAROUTQYYJENEE-ICSRJNTNSA-N 1 3 347.547 2.927 10 30 EFEEHO CC#CCNC[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001319633682 1328934102 /nfs/dbraw/zinc/93/41/02/1328934102.db2.gz KAROUTQYYJENEE-ICSRJNTNSA-N 1 3 347.547 2.927 10 30 EFEEHO CC#CCNC[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001319633684 1328934437 /nfs/dbraw/zinc/93/44/37/1328934437.db2.gz KAROUTQYYJENEE-QUCCMNQESA-N 1 3 347.547 2.927 10 30 EFEEHO CC#CCNC[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001319633684 1328934440 /nfs/dbraw/zinc/93/44/40/1328934440.db2.gz KAROUTQYYJENEE-QUCCMNQESA-N 1 3 347.547 2.927 10 30 EFEEHO 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339.499 2.746 10 30 EFEEHO C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001317208789 1327745528 /nfs/dbraw/zinc/74/55/28/1327745528.db2.gz NRXJRARBAWKXHH-VQTJNVASSA-N 1 3 345.531 2.731 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCCC2CCCC2)CC1 ZINC001322308534 1329445214 /nfs/dbraw/zinc/44/52/14/1329445214.db2.gz YOEIGUTYKGSNFN-SFHVURJKSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCCC2CCCC2)CC1 ZINC001322308534 1329445216 /nfs/dbraw/zinc/44/52/16/1329445216.db2.gz YOEIGUTYKGSNFN-SFHVURJKSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001323813141 1329574206 /nfs/dbraw/zinc/57/42/06/1329574206.db2.gz OLUCUIRJUPEIEF-OAQYLSRUSA-N 1 3 347.547 2.836 10 30 EFEEHO C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001323813141 1329574208 /nfs/dbraw/zinc/57/42/08/1329574208.db2.gz OLUCUIRJUPEIEF-OAQYLSRUSA-N 1 3 347.547 2.836 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 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C=C(Cl)CNC[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C(C)(C)C ZINC001423599000 1382142977 /nfs/dbraw/zinc/14/29/77/1382142977.db2.gz FPRKKFIRUYOZGD-CABCVRRESA-N 1 3 329.916 2.734 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001438828098 1388845106 /nfs/dbraw/zinc/84/51/06/1388845106.db2.gz LVCCOBGEYAGLBY-RHSMWYFYSA-N 1 3 347.906 2.682 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001438828098 1388845110 /nfs/dbraw/zinc/84/51/10/1388845110.db2.gz LVCCOBGEYAGLBY-RHSMWYFYSA-N 1 3 347.906 2.682 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001506785020 1406280845 /nfs/dbraw/zinc/28/08/45/1406280845.db2.gz KVJSYOFHSUHBJG-MKXGPGLRSA-N 1 3 347.547 2.900 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001506785020 1406280851 /nfs/dbraw/zinc/28/08/51/1406280851.db2.gz KVJSYOFHSUHBJG-MKXGPGLRSA-N 1 3 347.547 2.900 10 30 EFEEHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001506819563 1406297363 /nfs/dbraw/zinc/29/73/63/1406297363.db2.gz IIOZQFJYXVWHQW-CADBVGFASA-N 1 3 333.520 2.511 10 30 EFEEHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001506819563 1406297369 /nfs/dbraw/zinc/29/73/69/1406297369.db2.gz IIOZQFJYXVWHQW-CADBVGFASA-N 1 3 333.520 2.511 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001506865092 1406371307 /nfs/dbraw/zinc/37/13/07/1406371307.db2.gz IAMVMNLRCLPOLV-ROUUACIJSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001506865092 1406371310 /nfs/dbraw/zinc/37/13/10/1406371310.db2.gz IAMVMNLRCLPOLV-ROUUACIJSA-N 1 3 335.536 2.852 10 30 EFEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001506887452 1406405696 /nfs/dbraw/zinc/40/56/96/1406405696.db2.gz BJDHROPZYYSYPQ-SHTZXODSSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001506887452 1406405699 /nfs/dbraw/zinc/40/56/99/1406405699.db2.gz BJDHROPZYYSYPQ-SHTZXODSSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001717537523 1419434236 /nfs/dbraw/zinc/43/42/36/1419434236.db2.gz GLOXTIYQTFTJML-IRXDYDNUSA-N 1 3 327.488 2.603 10 30 EFEEHO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001717537523 1419434237 /nfs/dbraw/zinc/43/42/37/1419434237.db2.gz GLOXTIYQTFTJML-IRXDYDNUSA-N 1 3 327.488 2.603 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001479501658 1397739176 /nfs/dbraw/zinc/73/91/76/1397739176.db2.gz LWYYZHCEWHUMMU-RTBURBONSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001480158421 1398132866 /nfs/dbraw/zinc/13/28/66/1398132866.db2.gz PHMSNZSCMDOPKL-IUVQAAGXSA-N 1 3 339.499 2.790 10 30 EFEEHO C=C(C)C[N@@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001493869565 1398937500 /nfs/dbraw/zinc/93/75/00/1398937500.db2.gz DCYNXQODWVAXRC-LJQANCHMSA-N 1 3 341.515 2.992 10 30 EFEEHO C=C(C)C[N@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001493869565 1398937502 /nfs/dbraw/zinc/93/75/02/1398937502.db2.gz DCYNXQODWVAXRC-LJQANCHMSA-N 1 3 341.515 2.992 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001495167127 1399710451 /nfs/dbraw/zinc/71/04/51/1399710451.db2.gz FQDDBTABFKMUNP-HOTGVXAUSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCC1 ZINC001495167127 1399710452 /nfs/dbraw/zinc/71/04/52/1399710452.db2.gz FQDDBTABFKMUNP-HOTGVXAUSA-N 1 3 339.911 2.774 10 30 EFEEHO C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001496288552 1400603538 /nfs/dbraw/zinc/60/35/38/1400603538.db2.gz ODMCIIPABMWPNH-CRAIPNDOSA-N 1 3 327.488 2.505 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+][C@H](C)c2ccccc2)CC1 ZINC001497331632 1401307946 /nfs/dbraw/zinc/30/79/46/1401307946.db2.gz MXXUMXMGFOXJMC-QZTJIDSGSA-N 1 3 341.499 2.577 10 30 EFEEHO C=CCCC[N@H+]1Cc2ccc(CNC(=O)CN(C)C(C)C)cc2C1 ZINC001502653738 1404289111 /nfs/dbraw/zinc/28/91/11/1404289111.db2.gz UJECJJIVKCXJFE-UHFFFAOYSA-N 1 3 329.488 2.925 10 30 EFEEHO C=CCCC[N@@H+]1Cc2ccc(CNC(=O)CN(C)C(C)C)cc2C1 ZINC001502653738 1404289118 /nfs/dbraw/zinc/28/91/18/1404289118.db2.gz UJECJJIVKCXJFE-UHFFFAOYSA-N 1 3 329.488 2.925 10 30 EFEEHO C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001503473282 1404485175 /nfs/dbraw/zinc/48/51/75/1404485175.db2.gz KIQKNUWCQYNMOA-YJBOKZPZSA-N 1 3 327.488 2.650 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001505415138 1404574583 /nfs/dbraw/zinc/57/45/83/1404574583.db2.gz BLKXMQQDTWUTAQ-CEXWTWQISA-N 1 3 329.488 2.665 10 30 EFEEHO C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001565885092 1415443912 /nfs/dbraw/zinc/44/39/12/1415443912.db2.gz MSNFHOOPEOJCPZ-VQTJNVASSA-N 1 3 343.515 2.879 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001565943312 1415461635 /nfs/dbraw/zinc/46/16/35/1415461635.db2.gz OZYNLWXPNAQQDR-ZBFHGGJFSA-N 1 3 329.916 2.686 10 30 EFEEHO C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001565986679 1415471002 /nfs/dbraw/zinc/47/10/02/1415471002.db2.gz JUEHMJBYXOKKDI-GUDVDZBRSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C(F)(F)F ZINC001566002272 1415479046 /nfs/dbraw/zinc/47/90/46/1415479046.db2.gz VTYOLRLXDNLBFO-HUUCEWRRSA-N 1 3 349.441 2.519 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001566914208 1415841546 /nfs/dbraw/zinc/84/15/46/1415841546.db2.gz ZDLNLCVTQBMBIM-GOSISDBHSA-N 1 3 329.488 2.766 10 30 EFEEHO C=CC[NH2+]CC[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001568075807 1416397751 /nfs/dbraw/zinc/39/77/51/1416397751.db2.gz IUETXLHDGYONJS-QGZVFWFLSA-N 1 3 329.488 2.766 10 30 EFEEHO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001568300232 1416470186 /nfs/dbraw/zinc/47/01/86/1416470186.db2.gz NCXNWWZSLLLCCC-CRAIPNDOSA-N 1 3 327.488 2.602 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CCC(C)(C)C)CC(C)C)CC1 ZINC001568339640 1416482332 /nfs/dbraw/zinc/48/23/32/1416482332.db2.gz YKKWORBXHHLDAN-IBGZPJMESA-N 1 3 349.563 2.888 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)c1ccccc1 ZINC001691791892 1417247896 /nfs/dbraw/zinc/24/78/96/1417247896.db2.gz JKMFLAIQJJOPAR-MOPGFXCFSA-N 1 3 329.488 2.742 10 30 EFEEHO C=CCN[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC001691791892 1417247898 /nfs/dbraw/zinc/24/78/98/1417247898.db2.gz JKMFLAIQJJOPAR-MOPGFXCFSA-N 1 3 329.488 2.742 10 30 EFEEHO C=C(C)CC[NH2+]C[C@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@H]1C ZINC001698662408 1417308934 /nfs/dbraw/zinc/30/89/34/1417308934.db2.gz MFBJVPVGZZRJLZ-DNVCBOLYSA-N 1 3 332.492 2.882 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001699020251 1417372045 /nfs/dbraw/zinc/37/20/45/1417372045.db2.gz MRJFAPFJRZATIS-ROUUACIJSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001699020251 1417372051 /nfs/dbraw/zinc/37/20/51/1417372051.db2.gz MRJFAPFJRZATIS-ROUUACIJSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1CCC ZINC001699684352 1417451864 /nfs/dbraw/zinc/45/18/64/1417451864.db2.gz RNLCVZJHOONDFX-QYZOEREBSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1CCC ZINC001699684352 1417451865 /nfs/dbraw/zinc/45/18/65/1417451865.db2.gz RNLCVZJHOONDFX-QYZOEREBSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001699696026 1417456879 /nfs/dbraw/zinc/45/68/79/1417456879.db2.gz YBXBTNLSBZJNFO-HXUWFJFHSA-N 1 3 335.536 2.999 10 30 EFEEHO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001699696026 1417456880 /nfs/dbraw/zinc/45/68/80/1417456880.db2.gz YBXBTNLSBZJNFO-HXUWFJFHSA-N 1 3 335.536 2.999 10 30 EFEEHO C=CCN(C)Cc1ccccc1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001700089654 1417561863 /nfs/dbraw/zinc/56/18/63/1417561863.db2.gz DVKTZQMXEPNOHB-UHFFFAOYSA-N 1 3 329.488 2.795 10 30 EFEEHO C=C(C)CN(C)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001700090543 1417562748 /nfs/dbraw/zinc/56/27/48/1417562748.db2.gz HFIQBIZINMMQPC-UHFFFAOYSA-N 1 3 329.488 2.653 10 30 EFEEHO C=C(C)CC[N@H+]1CCc2c(CNC(=O)[C@H](CC)N(C)C)cccc2C1 ZINC001700123259 1417573902 /nfs/dbraw/zinc/57/39/02/1417573902.db2.gz YXIBNIXSIHEIDJ-FQEVSTJZSA-N 1 3 343.515 2.967 10 30 EFEEHO C=C(C)CC[N@@H+]1CCc2c(CNC(=O)[C@H](CC)N(C)C)cccc2C1 ZINC001700123259 1417573905 /nfs/dbraw/zinc/57/39/05/1417573905.db2.gz YXIBNIXSIHEIDJ-FQEVSTJZSA-N 1 3 343.515 2.967 10 30 EFEEHO C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN(C)CCCCCC ZINC001713271293 1418438619 /nfs/dbraw/zinc/43/86/19/1418438619.db2.gz IEKVVEBKZWPXGR-PMACEKPBSA-N 1 3 347.547 2.977 10 30 EFEEHO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CN(C)CCCCCC ZINC001713271293 1418438622 /nfs/dbraw/zinc/43/86/22/1418438622.db2.gz IEKVVEBKZWPXGR-PMACEKPBSA-N 1 3 347.547 2.977 10 30 EFEEHO C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN(C)CCCCCC ZINC001713271294 1418438891 /nfs/dbraw/zinc/43/88/91/1418438891.db2.gz IEKVVEBKZWPXGR-UXHICEINSA-N 1 3 347.547 2.977 10 30 EFEEHO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN(C)CCCCCC ZINC001713271294 1418438892 /nfs/dbraw/zinc/43/88/92/1418438892.db2.gz IEKVVEBKZWPXGR-UXHICEINSA-N 1 3 347.547 2.977 10 30 EFEEHO C#CCN(C(=O)CN(C)CC(C)(C)C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001716808938 1419022853 /nfs/dbraw/zinc/02/28/53/1419022853.db2.gz NGZCNMIZXYAYGJ-GOSISDBHSA-N 1 3 349.563 2.937 10 30 EFEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CCCC1 ZINC001716822372 1419031612 /nfs/dbraw/zinc/03/16/12/1419031612.db2.gz KTNJUAHXDPIOSP-RBUKOAKNSA-N 1 3 333.520 2.537 10 30 EFEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCC1 ZINC001716822370 1419031843 /nfs/dbraw/zinc/03/18/43/1419031843.db2.gz KTNJUAHXDPIOSP-MOPGFXCFSA-N 1 3 333.520 2.537 10 30 EFEEHO CC#CCN1CCC[C@@](C)(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001716896421 1419082711 /nfs/dbraw/zinc/08/27/11/1419082711.db2.gz NEWNKBIPAHEUEG-NRFANRHFSA-N 1 3 347.547 2.883 10 30 EFEEHO CC#CCN1CCC[C@@](C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001716896421 1419082713 /nfs/dbraw/zinc/08/27/13/1419082713.db2.gz NEWNKBIPAHEUEG-NRFANRHFSA-N 1 3 347.547 2.883 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001717110936 1419215908 /nfs/dbraw/zinc/21/59/08/1419215908.db2.gz KIAKVMNENHQISK-IAGOWNOFSA-N 1 3 341.927 2.688 10 30 EFEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001717118207 1419221632 /nfs/dbraw/zinc/22/16/32/1419221632.db2.gz OYVKTDSZCJLRKV-SFHVURJKSA-N 1 3 341.499 2.853 10 30 EFEEHO C=C(C)C[N@H+]1CCc2c(CNC(=O)CN(C)C3CCC3)cccc2C1 ZINC001717143164 1419234108 /nfs/dbraw/zinc/23/41/08/1419234108.db2.gz AADWWOBHZOWXSB-UHFFFAOYSA-N 1 3 341.499 2.721 10 30 EFEEHO C=C(C)C[N@@H+]1CCc2c(CNC(=O)CN(C)C3CCC3)cccc2C1 ZINC001717143164 1419234109 /nfs/dbraw/zinc/23/41/09/1419234109.db2.gz AADWWOBHZOWXSB-UHFFFAOYSA-N 1 3 341.499 2.721 10 30 EFEEHO C=CCCCN1Cc2ccc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001717270892 1419300215 /nfs/dbraw/zinc/30/02/15/1419300215.db2.gz PCRIMGHCDILTRL-GOSISDBHSA-N 1 3 341.499 2.926 10 30 EFEEHO C=CCCCN1Cc2ccc(CNC(=O)C[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001717270892 1419300222 /nfs/dbraw/zinc/30/02/22/1419300222.db2.gz PCRIMGHCDILTRL-GOSISDBHSA-N 1 3 341.499 2.926 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001717629822 1419478485 /nfs/dbraw/zinc/47/84/85/1419478485.db2.gz XOQCUXFTANUTQK-QZTJIDSGSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001717629822 1419478487 /nfs/dbraw/zinc/47/84/87/1419478487.db2.gz XOQCUXFTANUTQK-QZTJIDSGSA-N 1 3 333.520 2.607 10 30 EFEEHO C#CCN1C[C@]2(C)CN(C(=O)CCC[NH+](CCC)CCC)C[C@]2(C)C1 ZINC001717632958 1419480999 /nfs/dbraw/zinc/48/09/99/1419480999.db2.gz XRWPTRVJNLOSRB-OYRHEFFESA-N 1 3 347.547 2.692 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)CCC[NH2+]CC2=CCCCC2)CC1 ZINC001717695222 1419511512 /nfs/dbraw/zinc/51/15/12/1419511512.db2.gz CUTYZVNTZLPIHE-SFHVURJKSA-N 1 3 345.531 2.707 10 30 EFEEHO C=CCNCc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+]2C)c(F)c1 ZINC001718034965 1419672732 /nfs/dbraw/zinc/67/27/32/1419672732.db2.gz VDMXHZQXSHGEQP-KRWDZBQOSA-N 1 3 333.451 2.592 10 30 EFEEHO C=CCNCc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(F)c1 ZINC001718034965 1419672734 /nfs/dbraw/zinc/67/27/34/1419672734.db2.gz VDMXHZQXSHGEQP-KRWDZBQOSA-N 1 3 333.451 2.592 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCC(=C)C)CC1 ZINC001722958053 1424387950 /nfs/dbraw/zinc/38/79/50/1424387950.db2.gz UQYYGBRUFOMNSR-VQTJNVASSA-N 1 3 345.531 2.562 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001723610582 1424536939 /nfs/dbraw/zinc/53/69/39/1424536939.db2.gz ZWWIRBYPYPBTRE-RBUKOAKNSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001723610582 1424536942 /nfs/dbraw/zinc/53/69/42/1424536942.db2.gz ZWWIRBYPYPBTRE-RBUKOAKNSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH]cn1 ZINC001723632942 1424540775 /nfs/dbraw/zinc/54/07/75/1424540775.db2.gz BEZQDQKWAYXGDK-CVEARBPZSA-N 1 3 330.476 2.719 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH]cn1 ZINC001723632942 1424540776 /nfs/dbraw/zinc/54/07/76/1424540776.db2.gz BEZQDQKWAYXGDK-CVEARBPZSA-N 1 3 330.476 2.719 10 30 EFEEHO C#CCC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)C1CCCCCC1 ZINC001723640989 1424544976 /nfs/dbraw/zinc/54/49/76/1424544976.db2.gz PJDPXAURTTXSAQ-UHFFFAOYSA-N 1 3 333.520 2.635 10 30 EFEEHO C#CCC[N@H+](CCNC(=O)C1(N(C)C)CCC1)C1CCCCCC1 ZINC001723640989 1424544985 /nfs/dbraw/zinc/54/49/85/1424544985.db2.gz PJDPXAURTTXSAQ-UHFFFAOYSA-N 1 3 333.520 2.635 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001723680298 1424556385 /nfs/dbraw/zinc/55/63/85/1424556385.db2.gz NWRWWQQIQXHXCA-LJQANCHMSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001723680298 1424556390 /nfs/dbraw/zinc/55/63/90/1424556390.db2.gz NWRWWQQIQXHXCA-LJQANCHMSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001723722926 1424569942 /nfs/dbraw/zinc/56/99/42/1424569942.db2.gz YUQSCJXUJRTSHG-FQEVSTJZSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001723722926 1424569944 /nfs/dbraw/zinc/56/99/44/1424569944.db2.gz YUQSCJXUJRTSHG-FQEVSTJZSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001724511104 1424775657 /nfs/dbraw/zinc/77/56/57/1424775657.db2.gz FWDXKBXQXQMZJP-IEBWSBKVSA-N 1 3 329.488 2.524 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001724511104 1424775664 /nfs/dbraw/zinc/77/56/64/1424775664.db2.gz FWDXKBXQXQMZJP-IEBWSBKVSA-N 1 3 329.488 2.524 10 30 EFEEHO C#CC[NH2+]CC1CN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1C ZINC001724598362 1424815188 /nfs/dbraw/zinc/81/51/88/1424815188.db2.gz DBZQFBWQLMFUMT-CYSNLQCGSA-N 1 3 328.500 2.910 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001724607094 1424825437 /nfs/dbraw/zinc/82/54/37/1424825437.db2.gz NMZAPPFZPHCHKP-GUDVDZBRSA-N 1 3 335.536 2.949 10 30 EFEEHO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn[nH]n1)C2 ZINC001724612482 1424833302 /nfs/dbraw/zinc/83/33/02/1424833302.db2.gz FJTFEVDODIEZTC-MUJYYYPQSA-N 1 3 331.464 2.524 10 30 EFEEHO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cn[nH]n1)C2 ZINC001724612482 1424833309 /nfs/dbraw/zinc/83/33/09/1424833309.db2.gz FJTFEVDODIEZTC-MUJYYYPQSA-N 1 3 331.464 2.524 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1CCC ZINC001724654050 1424885652 /nfs/dbraw/zinc/88/56/52/1424885652.db2.gz SDBACVGEEHXAAJ-GUDVDZBRSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1CCC ZINC001724654050 1424885661 /nfs/dbraw/zinc/88/56/61/1424885661.db2.gz SDBACVGEEHXAAJ-GUDVDZBRSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1CCC ZINC001724654060 1424885974 /nfs/dbraw/zinc/88/59/74/1424885974.db2.gz SDBACVGEEHXAAJ-OTWHNJEPSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1CCC ZINC001724654060 1424885977 /nfs/dbraw/zinc/88/59/77/1424885977.db2.gz SDBACVGEEHXAAJ-OTWHNJEPSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001724654814 1424888489 /nfs/dbraw/zinc/88/84/89/1424888489.db2.gz JVJTUWJLVHVEAU-ZWKOTPCHSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001724654814 1424888499 /nfs/dbraw/zinc/88/84/99/1424888499.db2.gz JVJTUWJLVHVEAU-ZWKOTPCHSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCC[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001724730875 1424952637 /nfs/dbraw/zinc/95/26/37/1424952637.db2.gz VCOCQQFLOVQASS-MOPGFXCFSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001724730886 1424952755 /nfs/dbraw/zinc/95/27/55/1424952755.db2.gz VCOCQQFLOVQASS-RBUKOAKNSA-N 1 3 335.536 2.901 10 30 EFEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001724749570 1424979189 /nfs/dbraw/zinc/97/91/89/1424979189.db2.gz NONWXFFOKOQEEG-YLJYHZDGSA-N 1 3 341.499 2.850 10 30 EFEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001724749570 1424979194 /nfs/dbraw/zinc/97/91/94/1424979194.db2.gz NONWXFFOKOQEEG-YLJYHZDGSA-N 1 3 341.499 2.850 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001724758877 1424989369 /nfs/dbraw/zinc/98/93/69/1424989369.db2.gz XRUKBNBHCFYQHO-QGZVFWFLSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCCC[N@H+]1CCc2c(CNC(=O)CN(C)C(C)C)cccc2C1 ZINC001724776667 1425004869 /nfs/dbraw/zinc/00/48/69/1425004869.db2.gz LRKXDDGQIPVHLF-UHFFFAOYSA-N 1 3 343.515 2.967 10 30 EFEEHO C=CCCC[N@@H+]1CCc2c(CNC(=O)CN(C)C(C)C)cccc2C1 ZINC001724776667 1425004877 /nfs/dbraw/zinc/00/48/77/1425004877.db2.gz LRKXDDGQIPVHLF-UHFFFAOYSA-N 1 3 343.515 2.967 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC(C)C)[C@@H](C)C2)CC1 ZINC001725000083 1425214060 /nfs/dbraw/zinc/21/40/60/1425214060.db2.gz FZNAXQLTPMOBNX-ICSRJNTNSA-N 1 3 347.547 2.737 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCC(C)C)[C@@H](C)C2)CC1 ZINC001725000083 1425214066 /nfs/dbraw/zinc/21/40/66/1425214066.db2.gz FZNAXQLTPMOBNX-ICSRJNTNSA-N 1 3 347.547 2.737 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC000891520806 714799949 /nfs/dbraw/zinc/79/99/49/714799949.db2.gz QJMRCFHXSPTDBE-SFHVURJKSA-N 1 3 348.535 2.639 10 30 EFEEHO COc1ccc(NC(=[NH2+])NCCN(C)C2CCCCC2)cc1OC ZINC000104168539 715254473 /nfs/dbraw/zinc/25/44/73/715254473.db2.gz PMFHCVSGTBGPRS-UHFFFAOYSA-N 1 3 334.464 2.695 10 30 EFEEHO N#Cc1ccc(CN2CCC3(C[N@H+](C4CCC4)C[C@H]3CO)CC2)cc1 ZINC000169782436 728404882 /nfs/dbraw/zinc/40/48/82/728404882.db2.gz FMKRICRVFGZMND-IBGZPJMESA-N 1 3 339.483 2.617 10 30 EFEEHO N#Cc1ccc(CN2CCC3(C[N@@H+](C4CCC4)C[C@H]3CO)CC2)cc1 ZINC000169782436 728404883 /nfs/dbraw/zinc/40/48/83/728404883.db2.gz FMKRICRVFGZMND-IBGZPJMESA-N 1 3 339.483 2.617 10 30 EFEEHO C#CCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001569593135 1085415437 /nfs/dbraw/zinc/41/54/37/1085415437.db2.gz NUYPXTGHESTAHH-GOSISDBHSA-N 1 3 347.547 2.691 10 30 EFEEHO C#CCN1CCC([C@H]2CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001569799516 1085615480 /nfs/dbraw/zinc/61/54/80/1085615480.db2.gz GDCIEFOSKVICQL-VQTJNVASSA-N 1 3 347.547 2.691 10 30 EFEEHO C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCN1C(C)C ZINC001569869543 1085698227 /nfs/dbraw/zinc/69/82/27/1085698227.db2.gz WTTYMKAVGIBWMW-LJQANCHMSA-N 1 3 329.488 2.664 10 30 EFEEHO C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001569919555 1085767505 /nfs/dbraw/zinc/76/75/05/1085767505.db2.gz NDGFNGYYYMCKBO-IPMKNSEASA-N 1 3 333.520 2.748 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001569919555 1085767517 /nfs/dbraw/zinc/76/75/17/1085767517.db2.gz NDGFNGYYYMCKBO-IPMKNSEASA-N 1 3 333.520 2.748 10 30 EFEEHO C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)CC1 ZINC001570056838 1085911567 /nfs/dbraw/zinc/91/15/67/1085911567.db2.gz CEKRNMGGIDLOFR-SFHVURJKSA-N 1 3 333.520 2.751 10 30 EFEEHO C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001570220452 1086062108 /nfs/dbraw/zinc/06/21/08/1086062108.db2.gz RVVZAKSCMVDOEP-RBUKOAKNSA-N 1 3 347.547 2.548 10 30 EFEEHO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001570220452 1086062127 /nfs/dbraw/zinc/06/21/27/1086062127.db2.gz RVVZAKSCMVDOEP-RBUKOAKNSA-N 1 3 347.547 2.548 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001570220920 1086062248 /nfs/dbraw/zinc/06/22/48/1086062248.db2.gz YETZARFGXYBJTH-RBUKOAKNSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001570220920 1086062259 /nfs/dbraw/zinc/06/22/59/1086062259.db2.gz YETZARFGXYBJTH-RBUKOAKNSA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001570269568 1086103938 /nfs/dbraw/zinc/10/39/38/1086103938.db2.gz XWJCIDWMZWYLFK-HXUWFJFHSA-N 1 3 343.515 2.838 10 30 EFEEHO C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001570269568 1086103940 /nfs/dbraw/zinc/10/39/40/1086103940.db2.gz XWJCIDWMZWYLFK-HXUWFJFHSA-N 1 3 343.515 2.838 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001570275101 1086115686 /nfs/dbraw/zinc/11/56/86/1086115686.db2.gz PHKHBLUIAUMBQR-APWZRJJASA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001570275101 1086115691 /nfs/dbraw/zinc/11/56/91/1086115691.db2.gz PHKHBLUIAUMBQR-APWZRJJASA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001570275102 1086116669 /nfs/dbraw/zinc/11/66/69/1086116669.db2.gz PHKHBLUIAUMBQR-LPHOPBHVSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001570275102 1086116679 /nfs/dbraw/zinc/11/66/79/1086116679.db2.gz PHKHBLUIAUMBQR-LPHOPBHVSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCCN1CCc2ccccc2[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001570477804 1086268260 /nfs/dbraw/zinc/26/82/60/1086268260.db2.gz ACVJRKBTXYRJMZ-LJQANCHMSA-N 1 3 341.499 2.620 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001570544576 1086341747 /nfs/dbraw/zinc/34/17/47/1086341747.db2.gz ZCPVQMNKIMGJPB-RTBURBONSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001570544576 1086341760 /nfs/dbraw/zinc/34/17/60/1086341760.db2.gz ZCPVQMNKIMGJPB-RTBURBONSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001570553058 1086359071 /nfs/dbraw/zinc/35/90/71/1086359071.db2.gz BQRNBCKHSPAGCA-LJQANCHMSA-N 1 3 347.547 2.548 10 30 EFEEHO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001570553058 1086359082 /nfs/dbraw/zinc/35/90/82/1086359082.db2.gz BQRNBCKHSPAGCA-LJQANCHMSA-N 1 3 347.547 2.548 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCC)C[C@@]2(C)C1 ZINC001571068104 1086660081 /nfs/dbraw/zinc/66/00/81/1086660081.db2.gz FXLPUFVGXVSOPK-YSIASYRMSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)CCC)C[C@@]2(C)C1 ZINC001571068104 1086660088 /nfs/dbraw/zinc/66/00/88/1086660088.db2.gz FXLPUFVGXVSOPK-YSIASYRMSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC001571508770 1086914718 /nfs/dbraw/zinc/91/47/18/1086914718.db2.gz JMITZNMWZLEGKS-OKZBNKHCSA-N 1 3 333.520 2.654 10 30 EFEEHO CC#CCN1CCC(C2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC001571669497 1087033980 /nfs/dbraw/zinc/03/39/80/1087033980.db2.gz DBHHJUMSLHWIPH-GOSISDBHSA-N 1 3 345.531 2.635 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001481111638 1094605495 /nfs/dbraw/zinc/60/54/95/1094605495.db2.gz IZNYMYBZYBBJSL-LPHOPBHVSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001481111638 1094605500 /nfs/dbraw/zinc/60/55/00/1094605500.db2.gz IZNYMYBZYBBJSL-LPHOPBHVSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001481111639 1094606749 /nfs/dbraw/zinc/60/67/49/1094606749.db2.gz IZNYMYBZYBBJSL-QFBILLFUSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001481111639 1094606757 /nfs/dbraw/zinc/60/67/57/1094606757.db2.gz IZNYMYBZYBBJSL-QFBILLFUSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)CC[N@@H+](C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001481519766 1095084316 /nfs/dbraw/zinc/08/43/16/1095084316.db2.gz QNMXGMYIPTUJCI-UHFFFAOYSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)CC[N@H+](C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001481519766 1095084329 /nfs/dbraw/zinc/08/43/29/1095084329.db2.gz QNMXGMYIPTUJCI-UHFFFAOYSA-N 1 3 335.536 2.855 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001481530437 1095143800 /nfs/dbraw/zinc/14/38/00/1095143800.db2.gz WPTIQEGIMMGYCJ-AZUAARDMSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001481530437 1095143809 /nfs/dbraw/zinc/14/38/09/1095143809.db2.gz WPTIQEGIMMGYCJ-AZUAARDMSA-N 1 3 347.547 2.594 10 30 EFEEHO CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481671516 1096276109 /nfs/dbraw/zinc/27/61/09/1096276109.db2.gz OZERIXCFSWQFJB-FHWLQOOXSA-N 1 3 333.520 2.584 10 30 EFEEHO C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001268293491 1096280064 /nfs/dbraw/zinc/28/00/64/1096280064.db2.gz CXQPCRIIOPBSJA-OALUTQOASA-N 1 3 329.488 2.812 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001481740384 1096481201 /nfs/dbraw/zinc/48/12/01/1096481201.db2.gz BGQMYNJBUMMGKL-APWZRJJASA-N 1 3 339.499 2.698 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001481740384 1096481204 /nfs/dbraw/zinc/48/12/04/1096481204.db2.gz BGQMYNJBUMMGKL-APWZRJJASA-N 1 3 339.499 2.698 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]CC/C=C/CC)CCCC2)CC1 ZINC001481913233 1096915399 /nfs/dbraw/zinc/91/53/99/1096915399.db2.gz QUBXFEPCSNKRJH-AATRIKPKSA-N 1 3 345.531 2.707 10 30 EFEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268944354 1097736803 /nfs/dbraw/zinc/73/68/03/1097736803.db2.gz TYEUMLGRQDKPDQ-IHPCNDPISA-N 1 3 345.531 2.892 10 30 EFEEHO C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268944354 1097736807 /nfs/dbraw/zinc/73/68/07/1097736807.db2.gz TYEUMLGRQDKPDQ-IHPCNDPISA-N 1 3 345.531 2.892 10 30 EFEEHO C=C(C)CN1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001269339575 1098070173 /nfs/dbraw/zinc/07/01/73/1098070173.db2.gz NQXOKUONJJCOGQ-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001269634043 1098311793 /nfs/dbraw/zinc/31/17/93/1098311793.db2.gz JLFIQEHCKBQDRQ-OALUTQOASA-N 1 3 339.499 2.650 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001482235501 1098316110 /nfs/dbraw/zinc/31/61/10/1098316110.db2.gz IDJDITFJTNYDAD-HZPDHXFCSA-N 1 3 341.927 2.878 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@]2(C[NH2+]CCC=C)CCCC[C@H]2C)CC1 ZINC001269675953 1098348782 /nfs/dbraw/zinc/34/87/82/1098348782.db2.gz DNAMJPOOPMEQHW-NQIIRXRSSA-N 1 3 345.531 2.562 10 30 EFEEHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)cc1 ZINC001267940110 1098758608 /nfs/dbraw/zinc/75/86/08/1098758608.db2.gz DESSGPAWNRCCDW-IAGOWNOFSA-N 1 3 329.488 2.841 10 30 EFEEHO C=C(C)CC[NH2+]Cc1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001267938815 1098759690 /nfs/dbraw/zinc/75/96/90/1098759690.db2.gz LMKALFWVKUBBRY-KRWDZBQOSA-N 1 3 329.488 2.700 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001267974133 1099034279 /nfs/dbraw/zinc/03/42/79/1099034279.db2.gz NNYMLVUWZKIOTO-MRXNPFEDSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001267974133 1099034294 /nfs/dbraw/zinc/03/42/94/1099034294.db2.gz NNYMLVUWZKIOTO-MRXNPFEDSA-N 1 3 330.476 2.621 10 30 EFEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CCCC1 ZINC001270439876 1099093364 /nfs/dbraw/zinc/09/33/64/1099093364.db2.gz BZAFEFUXJSCVMM-IEBWSBKVSA-N 1 3 333.520 2.539 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001481370893 1099503756 /nfs/dbraw/zinc/50/37/56/1099503756.db2.gz NTJXEEABGKPWPM-RTBURBONSA-N 1 3 329.488 2.882 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001481370893 1099503762 /nfs/dbraw/zinc/50/37/62/1099503762.db2.gz NTJXEEABGKPWPM-RTBURBONSA-N 1 3 329.488 2.882 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001266760280 1102142119 /nfs/dbraw/zinc/14/21/19/1102142119.db2.gz BIFRMHGMQTYJBQ-LPHOPBHVSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001266760280 1102142125 /nfs/dbraw/zinc/14/21/25/1102142125.db2.gz BIFRMHGMQTYJBQ-LPHOPBHVSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001271609522 1102173684 /nfs/dbraw/zinc/17/36/84/1102173684.db2.gz POPPGZFGSLKVNR-KRWDZBQOSA-N 1 3 341.927 2.976 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC/C=C/CC)[C@@H]2CC)CC1 ZINC001656763724 1102194472 /nfs/dbraw/zinc/19/44/72/1102194472.db2.gz MSLULNXQENMTKT-OYQYDDJWSA-N 1 3 345.531 2.657 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC/C=C/CC)[C@@H]2CC)CC1 ZINC001656763724 1102194476 /nfs/dbraw/zinc/19/44/76/1102194476.db2.gz MSLULNXQENMTKT-OYQYDDJWSA-N 1 3 345.531 2.657 10 30 EFEEHO C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001271678365 1102242274 /nfs/dbraw/zinc/24/22/74/1102242274.db2.gz QOZXKSHJDKNRMA-PXNSSMCTSA-N 1 3 341.499 2.602 10 30 EFEEHO C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C)N2CCCCCC2)C1 ZINC001656905239 1102253533 /nfs/dbraw/zinc/25/35/33/1102253533.db2.gz TURVWEKCPHQUAS-RBUKOAKNSA-N 1 3 333.520 2.635 10 30 EFEEHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001266906016 1102652887 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10 30 EFEEHO C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001661818184 1103443996 /nfs/dbraw/zinc/44/39/96/1103443996.db2.gz KIXXNXQDEABOKG-VQIMIIECSA-N 1 3 339.499 2.603 10 30 EFEEHO CC#CCNC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001661943734 1103514455 /nfs/dbraw/zinc/51/44/55/1103514455.db2.gz SARUWSBXPVXWEK-UXHICEINSA-N 1 3 345.531 2.778 10 30 EFEEHO CC#CCNC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001661943734 1103514459 /nfs/dbraw/zinc/51/44/59/1103514459.db2.gz SARUWSBXPVXWEK-UXHICEINSA-N 1 3 345.531 2.778 10 30 EFEEHO C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001661978661 1103535223 /nfs/dbraw/zinc/53/52/23/1103535223.db2.gz WMGMSAOIJIUDLZ-VQTJNVASSA-N 1 3 345.531 2.731 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)CC2CCCCCC2)CC1 ZINC001483421462 1103673917 /nfs/dbraw/zinc/67/39/17/1103673917.db2.gz QAUNEVMOYBNQOW-SFHVURJKSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CC2CCCCCC2)CC1 ZINC001483421462 1103673921 /nfs/dbraw/zinc/67/39/21/1103673921.db2.gz QAUNEVMOYBNQOW-SFHVURJKSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CC2CCCCCC2)CC1 ZINC001663014193 1103921899 /nfs/dbraw/zinc/92/18/99/1103921899.db2.gz OUQPMTRQDLEEKE-GOSISDBHSA-N 1 3 347.547 2.786 10 30 EFEEHO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001663103750 1103979953 /nfs/dbraw/zinc/97/99/53/1103979953.db2.gz DVLFDRRIGOXZEV-APWZRJJASA-N 1 3 339.499 2.746 10 30 EFEEHO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001663103750 1103979957 /nfs/dbraw/zinc/97/99/57/1103979957.db2.gz DVLFDRRIGOXZEV-APWZRJJASA-N 1 3 339.499 2.746 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CCCC(C)(C)C)C2CC2)CC1 ZINC001483608355 1104062735 /nfs/dbraw/zinc/06/27/35/1104062735.db2.gz RQWDRGAUIBFIML-LJQANCHMSA-N 1 3 347.547 2.642 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CCCC(C)(C)C)C2CC2)CC1 ZINC001483608351 1104062840 /nfs/dbraw/zinc/06/28/40/1104062840.db2.gz RQWDRGAUIBFIML-IBGZPJMESA-N 1 3 347.547 2.642 10 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ZINC001482664178 1104772028 /nfs/dbraw/zinc/77/20/28/1104772028.db2.gz SQUWBSRSAULPTD-MSOLQXFVSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001482664178 1104772031 /nfs/dbraw/zinc/77/20/31/1104772031.db2.gz SQUWBSRSAULPTD-MSOLQXFVSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001482664180 1104772357 /nfs/dbraw/zinc/77/23/57/1104772357.db2.gz SQUWBSRSAULPTD-ROUUACIJSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]21 ZINC001482664180 1104772362 /nfs/dbraw/zinc/77/23/62/1104772362.db2.gz SQUWBSRSAULPTD-ROUUACIJSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001665844391 1104793480 /nfs/dbraw/zinc/79/34/80/1104793480.db2.gz JANKTNMKKFZKSD-QAPCUYQASA-N 1 3 327.488 2.650 10 30 EFEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CCCCC)CCCC2)CC1 ZINC001666808358 1104999669 /nfs/dbraw/zinc/99/96/69/1104999669.db2.gz GAFKKNAMGSPDKQ-UHFFFAOYSA-N 1 3 333.520 2.540 10 30 EFEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1CCCCC1 ZINC001667145169 1105062264 /nfs/dbraw/zinc/06/22/64/1105062264.db2.gz YVYCLFCUDKJPDS-AZUAARDMSA-N 1 3 347.547 2.929 10 30 EFEEHO C=CCC[C@@H](C)[N@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001667426790 1105146107 /nfs/dbraw/zinc/14/61/07/1105146107.db2.gz YWLYVBQRZIGSMT-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001667426790 1105146108 /nfs/dbraw/zinc/14/61/08/1105146108.db2.gz YWLYVBQRZIGSMT-GOSISDBHSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001669930032 1105547419 /nfs/dbraw/zinc/54/74/19/1105547419.db2.gz HICYABLJAJVGDU-ZWKOTPCHSA-N 1 3 341.499 2.529 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001669930032 1105547427 /nfs/dbraw/zinc/54/74/27/1105547427.db2.gz HICYABLJAJVGDU-ZWKOTPCHSA-N 1 3 341.499 2.529 10 30 EFEEHO C#CCC[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1CCCC1 ZINC001671530793 1105653035 /nfs/dbraw/zinc/65/30/35/1105653035.db2.gz UDBVVABZYPDDRY-GOSISDBHSA-N 1 3 333.520 2.539 10 30 EFEEHO C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001672439108 1105833121 /nfs/dbraw/zinc/83/31/21/1105833121.db2.gz SFQJDRNTRYUXAT-CEXWTWQISA-N 1 3 333.520 2.606 10 30 EFEEHO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001672439108 1105833128 /nfs/dbraw/zinc/83/31/28/1105833128.db2.gz SFQJDRNTRYUXAT-CEXWTWQISA-N 1 3 333.520 2.606 10 30 EFEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2CCC)cc1 ZINC001672938009 1105944537 /nfs/dbraw/zinc/94/45/37/1105944537.db2.gz OUYQNRYCCHDDCP-YLJYHZDGSA-N 1 3 341.499 2.851 10 30 EFEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CCC)cc1 ZINC001672938009 1105944540 /nfs/dbraw/zinc/94/45/40/1105944540.db2.gz OUYQNRYCCHDDCP-YLJYHZDGSA-N 1 3 341.499 2.851 10 30 EFEEHO C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001672943937 1105946587 /nfs/dbraw/zinc/94/65/87/1105946587.db2.gz UMDZYEROORSCRQ-IAGOWNOFSA-N 1 3 329.488 2.871 10 30 EFEEHO C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCC)CC1 ZINC001673496263 1106034008 /nfs/dbraw/zinc/03/40/08/1106034008.db2.gz JPTMLWLUHHPTFB-BGYRXZFFSA-N 1 3 345.531 2.730 10 30 EFEEHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](CCC)CCC)C2 ZINC001673650545 1106067277 /nfs/dbraw/zinc/06/72/77/1106067277.db2.gz KIEWQLPERLZAEV-OAQYLSRUSA-N 1 3 347.547 2.836 10 30 EFEEHO C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001674272596 1106164366 /nfs/dbraw/zinc/16/43/66/1106164366.db2.gz ZSUKDHYUWMZECO-AZUAARDMSA-N 1 3 341.499 2.620 10 30 EFEEHO C=CCCCN1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001674272596 1106164369 /nfs/dbraw/zinc/16/43/69/1106164369.db2.gz ZSUKDHYUWMZECO-AZUAARDMSA-N 1 3 341.499 2.620 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001674503949 1106208202 /nfs/dbraw/zinc/20/82/02/1106208202.db2.gz BSCNKEVXGJPZBY-RBUKOAKNSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001674503949 1106208204 /nfs/dbraw/zinc/20/82/04/1106208204.db2.gz BSCNKEVXGJPZBY-RBUKOAKNSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(Cl)CNCCCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001676089839 1106483908 /nfs/dbraw/zinc/48/39/08/1106483908.db2.gz UNBNAEBREUQVTL-SFHVURJKSA-N 1 3 349.906 2.699 10 30 EFEEHO C=C(Cl)CNCCCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001676089839 1106483912 /nfs/dbraw/zinc/48/39/12/1106483912.db2.gz UNBNAEBREUQVTL-SFHVURJKSA-N 1 3 349.906 2.699 10 30 EFEEHO C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001676249114 1106505458 /nfs/dbraw/zinc/50/54/58/1106505458.db2.gz ILZRRCDAUYFPGU-VQIMIIECSA-N 1 3 339.499 2.602 10 30 EFEEHO C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001677427262 1106716367 /nfs/dbraw/zinc/71/63/67/1106716367.db2.gz KXKVKVLKYQSGAB-LADRWXRNSA-N 1 3 339.499 2.744 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCC(C)(C)C)CC1 ZINC001272344206 1108011573 /nfs/dbraw/zinc/01/15/73/1108011573.db2.gz SAOFHMUFYFXNQE-MOPGFXCFSA-N 1 3 347.547 2.642 10 30 EFEEHO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001272565863 1108673574 /nfs/dbraw/zinc/67/35/74/1108673574.db2.gz PIFCSBNZROWBCU-APWZRJJASA-N 1 3 339.499 2.603 10 30 EFEEHO C[C@H](CNCC#Cc1ccccc1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001483176649 1109947520 /nfs/dbraw/zinc/94/75/20/1109947520.db2.gz SEARABPODLGSOB-GOSISDBHSA-N 1 3 349.478 2.508 10 30 EFEEHO C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001483816545 1112485192 /nfs/dbraw/zinc/48/51/92/1112485192.db2.gz FDFBBNSPLGNAGG-IBGZPJMESA-N 1 3 335.536 2.852 10 30 EFEEHO C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001483816545 1112485194 /nfs/dbraw/zinc/48/51/94/1112485194.db2.gz FDFBBNSPLGNAGG-IBGZPJMESA-N 1 3 335.536 2.852 10 30 EFEEHO C#CCN(C(=O)[C@@H]1CCCN1C(C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001483983928 1112629449 /nfs/dbraw/zinc/62/94/49/1112629449.db2.gz FEJLGJMACFVQPL-FQEVSTJZSA-N 1 3 345.531 2.586 10 30 EFEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CCCC1 ZINC001484008155 1112656783 /nfs/dbraw/zinc/65/67/83/1112656783.db2.gz NZVBFZUIHWZGKH-MJGOQNOKSA-N 1 3 333.520 2.539 10 30 EFEEHO C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001484562809 1113024380 /nfs/dbraw/zinc/02/43/80/1113024380.db2.gz GVKOFQNDDYKMEX-FXAWDEMLSA-N 1 3 341.499 2.851 10 30 EFEEHO C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001484820267 1117754691 /nfs/dbraw/zinc/75/46/91/1117754691.db2.gz LZOITJOMSPATHL-MRXNPFEDSA-N 1 3 341.927 2.974 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)CCC ZINC001485045451 1117964305 /nfs/dbraw/zinc/96/43/05/1117964305.db2.gz YGVPCHJRNDFBFU-UYAOXDASSA-N 1 3 329.488 2.666 10 30 EFEEHO C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001485260792 1118179978 /nfs/dbraw/zinc/17/99/78/1118179978.db2.gz QRDSFOKKPFYDLA-LJQANCHMSA-N 1 3 341.515 2.849 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCCC=C)CC1 ZINC001485484548 1118391495 /nfs/dbraw/zinc/39/14/95/1118391495.db2.gz HYBQNIPHCGZKTL-HXUWFJFHSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCCC=C)CC1 ZINC001485484548 1118391499 /nfs/dbraw/zinc/39/14/99/1118391499.db2.gz HYBQNIPHCGZKTL-HXUWFJFHSA-N 1 3 345.531 2.659 10 30 EFEEHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(C#N)CCc2ccccc2)[C@@H](C)C1 ZINC000433471366 248063534 /nfs/dbraw/zinc/06/35/34/248063534.db2.gz OFQWBEHFLINWPD-WDSOQIARSA-N 1 3 327.472 2.948 10 30 EFEEHO CC[N@H+]1CC[C@H](N(C)C(=O)C(C#N)CCc2ccccc2)[C@@H](C)C1 ZINC000433471366 248063536 /nfs/dbraw/zinc/06/35/36/248063536.db2.gz OFQWBEHFLINWPD-WDSOQIARSA-N 1 3 327.472 2.948 10 30 EFEEHO N#Cc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000397611840 268072777 /nfs/dbraw/zinc/07/27/77/268072777.db2.gz FKOFNECDTIIEKE-UHFFFAOYSA-N 1 3 335.451 2.675 10 30 EFEEHO C[C@H](O)C[NH+]1CCC(CN(C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000177133552 473312837 /nfs/dbraw/zinc/31/28/37/473312837.db2.gz SOIYYXGERNRSBZ-INIZCTEOSA-N 1 3 334.891 2.716 10 30 EFEEHO C=CCN(CC(=O)NC1CC[NH+](C2CC2)CC1)CC1CCCCC1 ZINC000069859962 472452681 /nfs/dbraw/zinc/45/26/81/472452681.db2.gz JLTGRTABKSQGFS-UHFFFAOYSA-N 1 3 333.520 2.798 10 30 EFEEHO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccccc2)CC1 ZINC000106329605 472840754 /nfs/dbraw/zinc/84/07/54/472840754.db2.gz PFAHYMFVURQNMH-LJQANCHMSA-N 1 3 344.503 2.629 10 30 EFEEHO C=CC[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000625701610 480015614 /nfs/dbraw/zinc/01/56/14/480015614.db2.gz AOQNBSVXIKPJKY-LJQANCHMSA-N 1 3 341.499 2.797 10 30 EFEEHO C=CCOc1ccccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000354026423 476375927 /nfs/dbraw/zinc/37/59/27/476375927.db2.gz SUHBYKMIAWFZFO-ICSRJNTNSA-N 1 3 343.515 2.709 10 30 EFEEHO C=CCOc1ccccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000354026423 476375934 /nfs/dbraw/zinc/37/59/34/476375934.db2.gz SUHBYKMIAWFZFO-ICSRJNTNSA-N 1 3 343.515 2.709 10 30 EFEEHO C=CCN1CCC(N[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422865267 476818624 /nfs/dbraw/zinc/81/86/24/476818624.db2.gz XMAKLWRDOKEDBG-PMACEKPBSA-N 1 3 329.488 2.728 10 30 EFEEHO C=CCOc1ccccc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415123593 476907622 /nfs/dbraw/zinc/90/76/22/476907622.db2.gz LHUYBUJBFMJGJX-QUCCMNQESA-N 1 3 330.472 2.970 10 30 EFEEHO COC[C@@]1(CNC2CCC(C#N)(c3ccccc3)CC2)CCC[NH2+]1 ZINC000423413591 477024544 /nfs/dbraw/zinc/02/45/44/477024544.db2.gz KXACXIDPOMRUBS-MHJFOBGBSA-N 1 3 327.472 2.749 10 30 EFEEHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594437064 478386246 /nfs/dbraw/zinc/38/62/46/478386246.db2.gz HWGCDTMGPJODPJ-WBVHZDCISA-N 1 3 330.476 2.643 10 30 EFEEHO N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000594440705 478389586 /nfs/dbraw/zinc/38/95/86/478389586.db2.gz HVBQQLBOWRLLPZ-MOPGFXCFSA-N 1 3 342.487 2.569 10 30 EFEEHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594439089 478389917 /nfs/dbraw/zinc/38/99/17/478389917.db2.gz SGNYBJUYBSHFSN-SQNIBIBYSA-N 1 3 334.508 2.511 10 30 EFEEHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594439089 478389921 /nfs/dbraw/zinc/38/99/21/478389921.db2.gz SGNYBJUYBSHFSN-SQNIBIBYSA-N 1 3 334.508 2.511 10 30 EFEEHO N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000594441936 478390886 /nfs/dbraw/zinc/39/08/86/478390886.db2.gz YWNDYAQFPXPPCH-OALUTQOASA-N 1 3 342.487 2.741 10 30 EFEEHO CC(C)N1CCN(CCC[NH2+]C(C)(C)c2cccc(C#N)c2)CC1 ZINC000595640119 478908492 /nfs/dbraw/zinc/90/84/92/478908492.db2.gz NURIQRVTCRPIHN-UHFFFAOYSA-N 1 3 328.504 2.799 10 30 EFEEHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)CC1(C#N)CC1 ZINC000599345752 479261864 /nfs/dbraw/zinc/26/18/64/479261864.db2.gz BEKCQYDHMCFRQE-IBGZPJMESA-N 1 3 342.487 2.675 10 30 EFEEHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)CC1(C#N)CC1 ZINC000599345752 479261872 /nfs/dbraw/zinc/26/18/72/479261872.db2.gz BEKCQYDHMCFRQE-IBGZPJMESA-N 1 3 342.487 2.675 10 30 EFEEHO C=CCC[C@H](CO)[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000641760529 481055628 /nfs/dbraw/zinc/05/56/28/481055628.db2.gz SXPFVHNPAVTTNY-LJQANCHMSA-N 1 3 331.504 2.635 10 30 EFEEHO C=CCOc1ccccc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705274 481272813 /nfs/dbraw/zinc/27/28/13/481272813.db2.gz AVYRNTUORXNLPC-NSHGMRRFSA-N 1 3 330.472 2.970 10 30 EFEEHO C=CC[C@]1(C(=O)NC[C@H](c2ccccc2)N(CC)CC)CCC[NH2+]1 ZINC000662391676 481780814 /nfs/dbraw/zinc/78/08/14/481780814.db2.gz FDYZBPLVJRIQJX-UYAOXDASSA-N 1 3 329.488 2.884 10 30 EFEEHO C=CC[C@@]1(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)CCC[NH2+]1 ZINC000662662152 481921969 /nfs/dbraw/zinc/92/19/69/481921969.db2.gz AQJKQBWOKOFOEU-QUCCMNQESA-N 1 3 329.488 2.666 10 30 EFEEHO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000651752487 481932561 /nfs/dbraw/zinc/93/25/61/481932561.db2.gz IHQLQNZWTQYJKS-LPHOPBHVSA-N 1 3 329.488 2.812 10 30 EFEEHO C=CC[C@]1(C(=O)N2CCCN(CC3CCCCC3)CC2)CCC[NH2+]1 ZINC000662693129 481936802 /nfs/dbraw/zinc/93/68/02/481936802.db2.gz ZYBHQNRSDGKLRF-HXUWFJFHSA-N 1 3 333.520 2.799 10 30 EFEEHO C=CC[C@]1(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CCC[NH2+]1 ZINC000662746330 481957944 /nfs/dbraw/zinc/95/79/44/481957944.db2.gz SCDLVKFTELMHTI-VDZJLULYSA-N 1 3 347.528 2.946 10 30 EFEEHO C=CC[C@]1(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CCC[NH2+]1 ZINC000662746326 481958800 /nfs/dbraw/zinc/95/88/00/481958800.db2.gz SCDLVKFTELMHTI-KVSKMBFKSA-N 1 3 347.528 2.946 10 30 EFEEHO C=CC[C@@]1(C(=O)N(CC)Cc2ccc(CN(C)C)cc2)CCC[NH2+]1 ZINC000662787951 481969710 /nfs/dbraw/zinc/96/97/10/481969710.db2.gz DADGYHBEXIKEMJ-FQEVSTJZSA-N 1 3 329.488 2.795 10 30 EFEEHO N#Cc1ccc([C@H](O)CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000763231411 576368398 /nfs/dbraw/zinc/36/83/98/576368398.db2.gz AERQLWGFUDKXSR-OAQYLSRUSA-N 1 3 335.451 2.977 10 30 EFEEHO N#Cc1ccc([C@@H](O)CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000763231407 576368412 /nfs/dbraw/zinc/36/84/12/576368412.db2.gz AERQLWGFUDKXSR-NRFANRHFSA-N 1 3 335.451 2.977 10 30 EFEEHO C=C(Cl)CNCCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001691411249 1248753570 /nfs/dbraw/zinc/75/35/70/1248753570.db2.gz FJFHOZCAHSTKKC-HYVNUMGLSA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(Cl)CNCCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001691411249 1248753578 /nfs/dbraw/zinc/75/35/78/1248753578.db2.gz FJFHOZCAHSTKKC-HYVNUMGLSA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C(F)(F)F ZINC001691935180 1249062424 /nfs/dbraw/zinc/06/24/24/1249062424.db2.gz BQLCQNOVOICEMP-HUUCEWRRSA-N 1 3 349.441 2.519 10 30 EFEEHO N#CC1(c2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000850135893 1250307891 /nfs/dbraw/zinc/30/78/91/1250307891.db2.gz SEDGIXBZNQYFHY-FQEVSTJZSA-N 1 3 339.483 2.975 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC/C=C\CCC)CC1 ZINC001691112614 1248433421 /nfs/dbraw/zinc/43/34/21/1248433421.db2.gz IQTFWKQMMXJRTG-PXDRNWIDSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC/C=C\CCC)CC1 ZINC001691112614 1248433426 /nfs/dbraw/zinc/43/34/26/1248433426.db2.gz IQTFWKQMMXJRTG-PXDRNWIDSA-N 1 3 345.531 2.659 10 30 EFEEHO C=CCN[C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1CC ZINC001484323069 1252391436 /nfs/dbraw/zinc/39/14/36/1252391436.db2.gz KEVQUCHJCSSBEG-FQEVSTJZSA-N 1 3 343.515 2.914 10 30 EFEEHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001484390070 1252497479 /nfs/dbraw/zinc/49/74/79/1252497479.db2.gz FZELFJICSDTUHR-FCGDIQPGSA-N 1 3 335.536 2.898 10 30 EFEEHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001484390070 1252497489 /nfs/dbraw/zinc/49/74/89/1252497489.db2.gz FZELFJICSDTUHR-FCGDIQPGSA-N 1 3 335.536 2.898 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001272805330 1258193340 /nfs/dbraw/zinc/19/33/40/1258193340.db2.gz OVEUYQFSHYZRGF-MSOLQXFVSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1CC ZINC001670946451 1258881934 /nfs/dbraw/zinc/88/19/34/1258881934.db2.gz JIOOHVINKVWTCT-IPQPSQTFSA-N 1 3 333.520 2.939 10 30 EFEEHO C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001670989039 1259341511 /nfs/dbraw/zinc/34/15/11/1259341511.db2.gz GCTYBLKERYDYNY-IBGZPJMESA-N 1 3 333.520 2.750 10 30 EFEEHO C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001670989039 1259341515 /nfs/dbraw/zinc/34/15/15/1259341515.db2.gz GCTYBLKERYDYNY-IBGZPJMESA-N 1 3 333.520 2.750 10 30 EFEEHO CC[NH+]=C(NCc1ncc(C)s1)N[C@H]1CCN(C2CCCC2)C1 ZINC000086741184 1261339364 /nfs/dbraw/zinc/33/93/64/1261339364.db2.gz QSYXFNUWDZOVNU-AWEZNQCLSA-N 1 3 335.521 2.524 10 30 EFEEHO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501895 1261799422 /nfs/dbraw/zinc/79/94/22/1261799422.db2.gz WPGXLJPPGYYGTE-PMPSAXMXSA-N 1 3 335.517 2.568 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC/C=C\CC)C2)CC1 ZINC001486222670 1262828018 /nfs/dbraw/zinc/82/80/18/1262828018.db2.gz ZETJZGDYPAMQRI-WYTZPYIFSA-N 1 3 345.531 2.562 10 30 EFEEHO C[NH+](C)CCCC(=O)N[C@@H](CNCC#Cc1ccccc1)C(C)(C)C ZINC001486409849 1263029463 /nfs/dbraw/zinc/02/94/63/1263029463.db2.gz HAHGWLQTQZOCJV-IBGZPJMESA-N 1 3 343.515 2.500 10 30 EFEEHO CCCN(C)CC(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001486420873 1263068135 /nfs/dbraw/zinc/06/81/35/1263068135.db2.gz ZUKCCMMEIPIJGQ-IBGZPJMESA-N 1 3 343.515 2.500 10 30 EFEEHO CC#CC[NH2+]C[C@H](NC(=O)c1cccc(CN(C)C)c1)C(C)(C)C ZINC001486425109 1263079111 /nfs/dbraw/zinc/07/91/11/1263079111.db2.gz SVPAVERXRTVYDH-SFHVURJKSA-N 1 3 329.488 2.506 10 30 EFEEHO C=CCCC[N@@H+](CC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001493021149 1269863012 /nfs/dbraw/zinc/86/30/12/1269863012.db2.gz AGSVDCNEBWGRTK-SFHVURJKSA-N 1 3 327.488 2.603 10 30 EFEEHO C=CCCC[N@H+](CC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001493021149 1269863023 /nfs/dbraw/zinc/86/30/23/1269863023.db2.gz AGSVDCNEBWGRTK-SFHVURJKSA-N 1 3 327.488 2.603 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000876739841 1290998213 /nfs/dbraw/zinc/99/82/13/1290998213.db2.gz JIGAJIDNENJODE-PMPSAXMXSA-N 1 3 327.900 2.569 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000876739841 1290998221 /nfs/dbraw/zinc/99/82/21/1290998221.db2.gz JIGAJIDNENJODE-PMPSAXMXSA-N 1 3 327.900 2.569 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000876750844 1291004039 /nfs/dbraw/zinc/00/40/39/1291004039.db2.gz JSUMBRHTHZUUSZ-SFHVURJKSA-N 1 3 349.906 2.827 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000876750844 1291004050 /nfs/dbraw/zinc/00/40/50/1291004050.db2.gz JSUMBRHTHZUUSZ-SFHVURJKSA-N 1 3 349.906 2.827 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000876750842 1291004076 /nfs/dbraw/zinc/00/40/76/1291004076.db2.gz JSUMBRHTHZUUSZ-GOSISDBHSA-N 1 3 349.906 2.827 10 30 EFEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000876750842 1291004087 /nfs/dbraw/zinc/00/40/87/1291004087.db2.gz JSUMBRHTHZUUSZ-GOSISDBHSA-N 1 3 349.906 2.827 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877443541 1291236876 /nfs/dbraw/zinc/23/68/76/1291236876.db2.gz FUUATQBDRRYEQQ-KBMXLJTQSA-N 1 3 327.900 2.603 10 30 EFEEHO C=CCCC[NH2+]CCN(CC)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001273610463 1292368840 /nfs/dbraw/zinc/36/88/40/1292368840.db2.gz NLDMFGGHILWIQP-GOSISDBHSA-N 1 3 327.488 2.603 10 30 EFEEHO C=CCCC[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000880389852 1292479618 /nfs/dbraw/zinc/47/96/18/1292479618.db2.gz JXDMITVVUJTJJS-IBGZPJMESA-N 1 3 329.488 2.884 10 30 EFEEHO C=CCCC[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000880389853 1292479659 /nfs/dbraw/zinc/47/96/59/1292479659.db2.gz JXDMITVVUJTJJS-LJQANCHMSA-N 1 3 329.488 2.884 10 30 EFEEHO C=CCCC[NH+]1CC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001276469104 1313150713 /nfs/dbraw/zinc/15/07/13/1313150713.db2.gz RRGBKBRSSLAOOR-INIZCTEOSA-N 1 3 329.488 2.765 10 30 EFEEHO C=CCCC[NH+]1CC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001276469105 1313150753 /nfs/dbraw/zinc/15/07/53/1313150753.db2.gz RRGBKBRSSLAOOR-MRXNPFEDSA-N 1 3 329.488 2.765 10 30 EFEEHO C=CCN(CCc1ccccc1)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903885377 1313347690 /nfs/dbraw/zinc/34/76/90/1313347690.db2.gz GHYWQGHJLGSXRA-LJQANCHMSA-N 1 3 326.488 2.577 10 30 EFEEHO C=CCC[C@@H]([NH2+]CCCN1CCN(CC)CC1)[C@]1(C)CCCCO1 ZINC000902745623 1312071523 /nfs/dbraw/zinc/07/15/23/1312071523.db2.gz RSCAQNLZFXEWJV-UXHICEINSA-N 1 3 337.552 2.898 10 30 EFEEHO CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001277474020 1312393872 /nfs/dbraw/zinc/39/38/72/1312393872.db2.gz MGOGSMAMDFNGJA-NRFANRHFSA-N 1 3 347.547 2.836 10 30 EFEEHO CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001277474020 1312393876 /nfs/dbraw/zinc/39/38/76/1312393876.db2.gz MGOGSMAMDFNGJA-NRFANRHFSA-N 1 3 347.547 2.836 10 30 EFEEHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001278703772 1315581663 /nfs/dbraw/zinc/58/16/63/1315581663.db2.gz MKHJUERRNBAVML-HUUCEWRRSA-N 1 3 349.441 2.519 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001264091373 1316588354 /nfs/dbraw/zinc/58/83/54/1316588354.db2.gz ZXDHKIZSERTTRX-KSZLIROESA-N 1 3 333.520 2.606 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001264091373 1316588355 /nfs/dbraw/zinc/58/83/55/1316588355.db2.gz ZXDHKIZSERTTRX-KSZLIROESA-N 1 3 333.520 2.606 10 30 EFEEHO CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001264575940 1316633709 /nfs/dbraw/zinc/63/37/09/1316633709.db2.gz ABOVQVZNVGFZKP-RTBURBONSA-N 1 3 349.563 2.985 10 30 EFEEHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001265407166 1316800682 /nfs/dbraw/zinc/80/06/82/1316800682.db2.gz SBJWGQXFAQHJSZ-ZSXDVEMLSA-N 1 3 333.520 2.747 10 30 EFEEHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001265407166 1316800684 /nfs/dbraw/zinc/80/06/84/1316800684.db2.gz SBJWGQXFAQHJSZ-ZSXDVEMLSA-N 1 3 333.520 2.747 10 30 EFEEHO C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001265523845 1316819844 /nfs/dbraw/zinc/81/98/44/1316819844.db2.gz QGVCAGPUBZWHGU-UXHICEINSA-N 1 3 347.547 2.835 10 30 EFEEHO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001265523845 1316819847 /nfs/dbraw/zinc/81/98/47/1316819847.db2.gz QGVCAGPUBZWHGU-UXHICEINSA-N 1 3 347.547 2.835 10 30 EFEEHO C=CCCC[NH+]1CCC(C2(NC(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001279368270 1317247082 /nfs/dbraw/zinc/24/70/82/1317247082.db2.gz LVCZGLOTVGAYJX-KRWDZBQOSA-N 1 3 333.520 2.655 10 30 EFEEHO C=CCCC[NH+]1CCC(C2(NC(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC001279368271 1317247517 /nfs/dbraw/zinc/24/75/17/1317247517.db2.gz LVCZGLOTVGAYJX-QGZVFWFLSA-N 1 3 333.520 2.655 10 30 EFEEHO C=CCC[NH+]1CCC(C2(NC(=O)CN3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001279368577 1317248406 /nfs/dbraw/zinc/24/84/06/1317248406.db2.gz XJXFPAKPFXRVCZ-IRXDYDNUSA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001280388103 1317538003 /nfs/dbraw/zinc/53/80/03/1317538003.db2.gz NAAYVMUHAPCCFX-QGZVFWFLSA-N 1 3 333.520 2.750 10 30 EFEEHO C=C(C)C[NH+]1CCC2(CN(C(=O)CN(C)CCCCCC)C2)CC1 ZINC001280392372 1317540278 /nfs/dbraw/zinc/54/02/78/1317540278.db2.gz ZGTMUJBZZROVFX-UHFFFAOYSA-N 1 3 335.536 2.999 10 30 EFEEHO C#CCN1CCC(C(=O)NCC2([NH2+]C[C@@H](C)CC(C)C)CCC2)CC1 ZINC001280545984 1317613910 /nfs/dbraw/zinc/61/39/10/1317613910.db2.gz SXJKNTUAQNZLGZ-SFHVURJKSA-N 1 3 347.547 2.642 10 30 EFEEHO C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001318938011 1328745763 /nfs/dbraw/zinc/74/57/63/1328745763.db2.gz QEQJVJHGAVSZJK-QGZVFWFLSA-N 1 3 341.927 2.832 10 30 EFEEHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001281905252 1318619431 /nfs/dbraw/zinc/61/94/31/1318619431.db2.gz IQFRXADKRZJGBT-FBBABVLZSA-N 1 3 341.499 2.809 10 30 EFEEHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001281905252 1318619437 /nfs/dbraw/zinc/61/94/37/1318619437.db2.gz IQFRXADKRZJGBT-FBBABVLZSA-N 1 3 341.499 2.809 10 30 EFEEHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001281912615 1318623122 /nfs/dbraw/zinc/62/31/22/1318623122.db2.gz PORJDKPKZVVXHM-VAMGGRTRSA-N 1 3 341.499 2.665 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CCC2=CCCCC2)CC1 ZINC001282497622 1318971821 /nfs/dbraw/zinc/97/18/21/1318971821.db2.gz OZPMTWZKLXKDMS-SFHVURJKSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCC2=CCCCC2)CC1 ZINC001282497622 1318971831 /nfs/dbraw/zinc/97/18/31/1318971831.db2.gz OZPMTWZKLXKDMS-SFHVURJKSA-N 1 3 345.531 2.659 10 30 EFEEHO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001282834791 1319152679 /nfs/dbraw/zinc/15/26/79/1319152679.db2.gz VZQUEEUGBYNPOQ-QZTJIDSGSA-N 1 3 335.536 2.900 10 30 EFEEHO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001282834791 1319152683 /nfs/dbraw/zinc/15/26/83/1319152683.db2.gz VZQUEEUGBYNPOQ-QZTJIDSGSA-N 1 3 335.536 2.900 10 30 EFEEHO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001282834790 1319153131 /nfs/dbraw/zinc/15/31/31/1319153131.db2.gz VZQUEEUGBYNPOQ-MSOLQXFVSA-N 1 3 335.536 2.900 10 30 EFEEHO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)C(C)(C)C1 ZINC001282834790 1319153136 /nfs/dbraw/zinc/15/31/36/1319153136.db2.gz VZQUEEUGBYNPOQ-MSOLQXFVSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC001282996235 1319247975 /nfs/dbraw/zinc/24/79/75/1319247975.db2.gz LGVJHYQTPKTGNJ-GHSBBIOCSA-N 1 3 347.547 2.996 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC001282996235 1319247987 /nfs/dbraw/zinc/24/79/87/1319247987.db2.gz LGVJHYQTPKTGNJ-GHSBBIOCSA-N 1 3 347.547 2.996 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]CCC2CCCCC2)CC1 ZINC001319284685 1328832655 /nfs/dbraw/zinc/83/26/55/1328832655.db2.gz IEENCJWCZFEKDL-GOSISDBHSA-N 1 3 347.547 2.644 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCC(C)C)C2)CC1 ZINC001284242096 1320283149 /nfs/dbraw/zinc/28/31/49/1320283149.db2.gz DMYCVKFIEOLADE-ICSRJNTNSA-N 1 3 347.547 2.642 10 30 EFEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C1CCCCC1 ZINC001319651769 1328938967 /nfs/dbraw/zinc/93/89/67/1328938967.db2.gz QRGYGMOOAOUMRR-RBUKOAKNSA-N 1 3 333.520 2.537 10 30 EFEEHO C=CCO[C@@H]1CC[N@@H+](Cc2ccccc2N2CCN(CCC)CC2)C1 ZINC001320092730 1329074644 /nfs/dbraw/zinc/07/46/44/1329074644.db2.gz UXKPXUOKZLOUTF-HXUWFJFHSA-N 1 3 343.515 2.996 10 30 EFEEHO C=CCO[C@@H]1CC[N@H+](Cc2ccccc2N2CCN(CCC)CC2)C1 ZINC001320092730 1329074647 /nfs/dbraw/zinc/07/46/47/1329074647.db2.gz UXKPXUOKZLOUTF-HXUWFJFHSA-N 1 3 343.515 2.996 10 30 EFEEHO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001492085204 1324245034 /nfs/dbraw/zinc/24/50/34/1324245034.db2.gz MNBMXEBJTORPBZ-YJBOKZPZSA-N 1 3 327.488 2.650 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001316759954 1325113396 /nfs/dbraw/zinc/11/33/96/1325113396.db2.gz YUNOIFTUWUSNMX-CEXWTWQISA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]2C1 ZINC001316759954 1325113400 /nfs/dbraw/zinc/11/34/00/1325113400.db2.gz YUNOIFTUWUSNMX-CEXWTWQISA-N 1 3 335.536 2.853 10 30 EFEEHO C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001316775208 1325130014 /nfs/dbraw/zinc/13/00/14/1325130014.db2.gz YMXNOPUETYCANL-OALUTQOASA-N 1 3 333.520 2.633 10 30 EFEEHO C=CCC[N@H+](CC)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001316901892 1325302446 /nfs/dbraw/zinc/30/24/46/1325302446.db2.gz CAJIOEOIGZCQHU-GOSISDBHSA-N 1 3 327.488 2.603 10 30 EFEEHO C=CCC[N@@H+](CC)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001316901892 1325302457 /nfs/dbraw/zinc/30/24/57/1325302457.db2.gz CAJIOEOIGZCQHU-GOSISDBHSA-N 1 3 327.488 2.603 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001317471961 1328061173 /nfs/dbraw/zinc/06/11/73/1328061173.db2.gz SGDJDJMNNGYZKA-OALUTQOASA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001317471961 1328061179 /nfs/dbraw/zinc/06/11/79/1328061179.db2.gz SGDJDJMNNGYZKA-OALUTQOASA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)CCCC2CCCC2)CC1 ZINC001322308533 1329445276 /nfs/dbraw/zinc/44/52/76/1329445276.db2.gz YOEIGUTYKGSNFN-GOSISDBHSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCCC2CCCC2)CC1 ZINC001322308533 1329445278 /nfs/dbraw/zinc/44/52/78/1329445278.db2.gz YOEIGUTYKGSNFN-GOSISDBHSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](CCCC(C)C)CC1 ZINC001324419776 1329625271 /nfs/dbraw/zinc/62/52/71/1329625271.db2.gz FKEBPWJPQZYPDG-IBGZPJMESA-N 1 3 347.547 2.691 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001325679029 1329705979 /nfs/dbraw/zinc/70/59/79/1329705979.db2.gz GTLQFXKOWXXEOC-WAAHFUDESA-N 1 3 335.536 2.948 10 30 EFEEHO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001326436564 1329756413 /nfs/dbraw/zinc/75/64/13/1329756413.db2.gz DWOSJPHWSOHSKS-KRWDZBQOSA-N 1 3 329.488 2.766 10 30 EFEEHO CC#CCN1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001329940516 1330754170 /nfs/dbraw/zinc/75/41/70/1330754170.db2.gz XVPXLRLWAXXOKY-IBGZPJMESA-N 1 3 347.547 2.883 10 30 EFEEHO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2c(s1)CNCC2)C(C)C ZINC001341661040 1332274495 /nfs/dbraw/zinc/27/44/95/1332274495.db2.gz BBFXSJCALGEAQF-MRXNPFEDSA-N 1 3 347.528 2.822 10 30 EFEEHO C=CCCC[C@H](N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001354571121 1334383431 /nfs/dbraw/zinc/38/34/31/1334383431.db2.gz ULEBFDSPAXYLDA-IRFCIJBXSA-N 1 3 341.499 2.651 10 30 EFEEHO C=CCCC[C@H](N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001354571121 1334383435 /nfs/dbraw/zinc/38/34/35/1334383435.db2.gz ULEBFDSPAXYLDA-IRFCIJBXSA-N 1 3 341.499 2.651 10 30 EFEEHO C=C(Cl)CNC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001375792660 1343020071 /nfs/dbraw/zinc/02/00/71/1343020071.db2.gz ZIGWHNJIMQWNLF-IRXDYDNUSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)CNC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001375792660 1343020075 /nfs/dbraw/zinc/02/00/75/1343020075.db2.gz ZIGWHNJIMQWNLF-IRXDYDNUSA-N 1 3 341.927 2.876 10 30 EFEEHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CN(C)C(C)C)CC1 ZINC001393405624 1356823919 /nfs/dbraw/zinc/82/39/19/1356823919.db2.gz VKNOWHGNIIBFDW-WKILWMFISA-N 1 3 329.916 2.591 10 30 EFEEHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001394449565 1357830340 /nfs/dbraw/zinc/83/03/40/1357830340.db2.gz MPQGQNFOBCLHJN-RDJZCZTQSA-N 1 3 341.927 2.830 10 30 EFEEHO C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]2C1 ZINC001403428405 1364632061 /nfs/dbraw/zinc/63/20/61/1364632061.db2.gz ZHBRANSUKWUXNG-YESZJQIVSA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@H]2C1 ZINC001403428405 1364632064 /nfs/dbraw/zinc/63/20/64/1364632064.db2.gz ZHBRANSUKWUXNG-YESZJQIVSA-N 1 3 341.927 2.688 10 30 EFEEHO C=C(Cl)CNC[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001423544556 1382040882 /nfs/dbraw/zinc/04/08/82/1382040882.db2.gz IUYHUEXSEZUMEX-INIZCTEOSA-N 1 3 341.927 2.878 10 30 EFEEHO C=C(Cl)CNC[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001426148232 1384029619 /nfs/dbraw/zinc/02/96/19/1384029619.db2.gz GVPASYXIHSZYFZ-AWEZNQCLSA-N 1 3 329.916 2.734 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001565942363 1415460568 /nfs/dbraw/zinc/46/05/68/1415460568.db2.gz YELKKVSXRPBXLR-GDBMZVCRSA-N 1 3 329.916 2.688 10 30 EFEEHO C=C(Cl)CNCC[C@@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001565942363 1415460572 /nfs/dbraw/zinc/46/05/72/1415460572.db2.gz YELKKVSXRPBXLR-GDBMZVCRSA-N 1 3 329.916 2.688 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CCCC(C)(C)C)C2CC2)CC1 ZINC001480065751 1398108957 /nfs/dbraw/zinc/10/89/57/1398108957.db2.gz KNODVWKDJOLEKM-LJQANCHMSA-N 1 3 347.547 2.642 10 30 EFEEHO C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001480086407 1398123787 /nfs/dbraw/zinc/12/37/87/1398123787.db2.gz XVRIGEYVBDAJNI-APWZRJJASA-N 1 3 339.499 2.555 10 30 EFEEHO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001480086407 1398123792 /nfs/dbraw/zinc/12/37/92/1398123792.db2.gz XVRIGEYVBDAJNI-APWZRJJASA-N 1 3 339.499 2.555 10 30 EFEEHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001480158422 1398132507 /nfs/dbraw/zinc/13/25/07/1398132507.db2.gz PHMSNZSCMDOPKL-NNFUDEMPSA-N 1 3 339.499 2.790 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC/C=C/CCC)C2)CC1 ZINC001493266342 1398574993 /nfs/dbraw/zinc/57/49/93/1398574993.db2.gz FGHHZWZSLBRAMR-GHOSXJJBSA-N 1 3 345.531 2.516 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](CC/C=C/CCC)C2)CC1 ZINC001493266342 1398574995 /nfs/dbraw/zinc/57/49/95/1398574995.db2.gz FGHHZWZSLBRAMR-GHOSXJJBSA-N 1 3 345.531 2.516 10 30 EFEEHO C=C(C)C[N@@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001493869564 1398937518 /nfs/dbraw/zinc/93/75/18/1398937518.db2.gz DCYNXQODWVAXRC-IBGZPJMESA-N 1 3 341.515 2.992 10 30 EFEEHO C=C(C)C[N@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001493869564 1398937521 /nfs/dbraw/zinc/93/75/21/1398937521.db2.gz DCYNXQODWVAXRC-IBGZPJMESA-N 1 3 341.515 2.992 10 30 EFEEHO C=CCN[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001493901801 1398967162 /nfs/dbraw/zinc/96/71/62/1398967162.db2.gz YIMBSPZWXBJLHP-LJQANCHMSA-N 1 3 329.488 2.740 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001493904413 1398969395 /nfs/dbraw/zinc/96/93/95/1398969395.db2.gz HEPNZFDFKGLBSD-RTBURBONSA-N 1 3 329.488 2.740 10 30 EFEEHO C=CCCCCC[N@H+]1CC2CC1CN2C(=O)c1cc(OC)ns1 ZINC001494654645 1399417658 /nfs/dbraw/zinc/41/76/58/1399417658.db2.gz SOJHDMRPDYOLQQ-KBPBESRZSA-N 1 3 335.473 2.797 10 30 EFEEHO C=CCCCCC[N@@H+]1CC2CC1CN2C(=O)c1cc(OC)ns1 ZINC001494654645 1399417660 /nfs/dbraw/zinc/41/76/60/1399417660.db2.gz SOJHDMRPDYOLQQ-KBPBESRZSA-N 1 3 335.473 2.797 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001494739287 1399450587 /nfs/dbraw/zinc/45/05/87/1399450587.db2.gz RQXIKCQGNDPSEQ-LPHOPBHVSA-N 1 3 329.488 2.907 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001494739287 1399450588 /nfs/dbraw/zinc/45/05/88/1399450588.db2.gz RQXIKCQGNDPSEQ-LPHOPBHVSA-N 1 3 329.488 2.907 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001495167130 1399710317 /nfs/dbraw/zinc/71/03/17/1399710317.db2.gz FQDDBTABFKMUNP-JKSUJKDBSA-N 1 3 339.911 2.774 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCC1 ZINC001495167130 1399710320 /nfs/dbraw/zinc/71/03/20/1399710320.db2.gz FQDDBTABFKMUNP-JKSUJKDBSA-N 1 3 339.911 2.774 10 30 EFEEHO C=CCCC[NH2+]C[C@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@H]1C ZINC001495327864 1399855972 /nfs/dbraw/zinc/85/59/72/1399855972.db2.gz WVNKUOVXBISSOD-DNVCBOLYSA-N 1 3 332.492 2.882 10 30 EFEEHO C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001496288559 1400604076 /nfs/dbraw/zinc/60/40/76/1400604076.db2.gz ODMCIIPABMWPNH-YJBOKZPZSA-N 1 3 327.488 2.505 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC/C=C\CC)CC1 ZINC001496918678 1401101718 /nfs/dbraw/zinc/10/17/18/1401101718.db2.gz QKCWEQXIWBUTDV-DXPXIUTNSA-N 1 3 345.531 2.562 10 30 EFEEHO C#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001500519396 1403190721 /nfs/dbraw/zinc/19/07/21/1403190721.db2.gz NWNDLVDPHWZGPJ-CTNGQTDRSA-N 1 3 345.531 2.635 10 30 EFEEHO C#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001500519396 1403190725 /nfs/dbraw/zinc/19/07/25/1403190725.db2.gz NWNDLVDPHWZGPJ-CTNGQTDRSA-N 1 3 345.531 2.635 10 30 EFEEHO C=C(C)C[NH+]1CCC(C2(NC(=O)CN3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001508161660 1407322538 /nfs/dbraw/zinc/32/25/38/1407322538.db2.gz DWOLQTDBPYONKT-IRXDYDNUSA-N 1 3 333.520 2.796 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001501618335 1403648826 /nfs/dbraw/zinc/64/88/26/1403648826.db2.gz KJTUIFVPUSOCTI-HNNXBMFYSA-N 1 3 329.916 2.545 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001502545670 1404235202 /nfs/dbraw/zinc/23/52/02/1404235202.db2.gz FKBFJCWRGOYSNW-AZUAARDMSA-N 1 3 333.520 2.609 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001502545670 1404235210 /nfs/dbraw/zinc/23/52/10/1404235210.db2.gz FKBFJCWRGOYSNW-AZUAARDMSA-N 1 3 333.520 2.609 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC2CCC(C)CC2)CC1 ZINC001506065175 1405425703 /nfs/dbraw/zinc/42/57/03/1405425703.db2.gz KUZIYNHLYFZAEK-JLAWEPINSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC2CCC(C)CC2)CC1 ZINC001506065175 1405425707 /nfs/dbraw/zinc/42/57/07/1405425707.db2.gz KUZIYNHLYFZAEK-JLAWEPINSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001506576233 1405992674 /nfs/dbraw/zinc/99/26/74/1405992674.db2.gz RLIXAZFKVVSDBA-RTBURBONSA-N 1 3 333.520 2.635 10 30 EFEEHO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001506576233 1405992684 /nfs/dbraw/zinc/99/26/84/1405992684.db2.gz RLIXAZFKVVSDBA-RTBURBONSA-N 1 3 333.520 2.635 10 30 EFEEHO C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](F)CN(CC)CC)C2)CC1 ZINC001565922786 1415153986 /nfs/dbraw/zinc/15/39/86/1415153986.db2.gz STBTUIPEZKVNRZ-DLBZAZTESA-N 1 3 339.499 2.555 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)CCC ZINC001565994392 1415474170 /nfs/dbraw/zinc/47/41/70/1415474170.db2.gz FYFGWAMWNBRVRG-NZSAHSFTSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)CCC ZINC001565994392 1415474176 /nfs/dbraw/zinc/47/41/76/1415474176.db2.gz FYFGWAMWNBRVRG-NZSAHSFTSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C(F)(F)F ZINC001566002273 1415479108 /nfs/dbraw/zinc/47/91/08/1415479108.db2.gz VTYOLRLXDNLBFO-LSDHHAIUSA-N 1 3 349.441 2.519 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](CCC(C)(C)C)C2CC2)CC1 ZINC001566604267 1415690011 /nfs/dbraw/zinc/69/00/11/1415690011.db2.gz TZXKFVPBCNFWQI-UHFFFAOYSA-N 1 3 347.547 2.739 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@H+](CCC(C)(C)C)C2CC2)CC1 ZINC001566604267 1415690014 /nfs/dbraw/zinc/69/00/14/1415690014.db2.gz TZXKFVPBCNFWQI-UHFFFAOYSA-N 1 3 347.547 2.739 10 30 EFEEHO C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001566692290 1415734136 /nfs/dbraw/zinc/73/41/36/1415734136.db2.gz DNJZQLIQBOALFR-QGZVFWFLSA-N 1 3 335.536 2.901 10 30 EFEEHO C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001566692289 1415734229 /nfs/dbraw/zinc/73/42/29/1415734229.db2.gz DNJZQLIQBOALFR-KRWDZBQOSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001566756587 1415765037 /nfs/dbraw/zinc/76/50/37/1415765037.db2.gz RUYFDNHQJSYLIA-QRVBRYPASA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001566756587 1415765038 /nfs/dbraw/zinc/76/50/38/1415765038.db2.gz RUYFDNHQJSYLIA-QRVBRYPASA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566878476 1415819658 /nfs/dbraw/zinc/81/96/58/1415819658.db2.gz QVPHKXQLYKVDFC-VQIMIIECSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566878476 1415819660 /nfs/dbraw/zinc/81/96/60/1415819660.db2.gz QVPHKXQLYKVDFC-VQIMIIECSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566878475 1415819897 /nfs/dbraw/zinc/81/98/97/1415819897.db2.gz QVPHKXQLYKVDFC-QFBILLFUSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566878475 1415819904 /nfs/dbraw/zinc/81/99/04/1415819904.db2.gz QVPHKXQLYKVDFC-QFBILLFUSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCCC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001567230540 1416003893 /nfs/dbraw/zinc/00/38/93/1416003893.db2.gz KIQKNUWCQYNMOA-QAPCUYQASA-N 1 3 327.488 2.650 10 30 EFEEHO CC[C@@H](C(=O)NCCC[N@H+](CC#Cc1ccccc1)C(C)C)N(C)C ZINC001567651065 1416230946 /nfs/dbraw/zinc/23/09/46/1416230946.db2.gz AERDXBXTHYMZMB-FQEVSTJZSA-N 1 3 343.515 2.595 10 30 EFEEHO CC[C@@H](C(=O)NCCC[N@@H+](CC#Cc1ccccc1)C(C)C)N(C)C ZINC001567651065 1416230950 /nfs/dbraw/zinc/23/09/50/1416230950.db2.gz AERDXBXTHYMZMB-FQEVSTJZSA-N 1 3 343.515 2.595 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001567660386 1416234964 /nfs/dbraw/zinc/23/49/64/1416234964.db2.gz ZTSXYBNAOOCWJS-IBGZPJMESA-N 1 3 341.499 2.886 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)c1ccccc1 ZINC001567661488 1416235550 /nfs/dbraw/zinc/23/55/50/1416235550.db2.gz ZPSLPRJVEMWJGI-MOPGFXCFSA-N 1 3 329.488 2.740 10 30 EFEEHO C=CCN[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC001567661488 1416235556 /nfs/dbraw/zinc/23/55/56/1416235556.db2.gz ZPSLPRJVEMWJGI-MOPGFXCFSA-N 1 3 329.488 2.740 10 30 EFEEHO C=CC[NH2+]Cc1ccc(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001568121269 1416418025 /nfs/dbraw/zinc/41/80/25/1416418025.db2.gz SUYDKZPWMVGNHK-HXUWFJFHSA-N 1 3 347.478 2.791 10 30 EFEEHO C=C(Cl)C[NH2+]CCN(CC)C(=O)C1COc2cc(F)ccc2C1 ZINC001568742241 1416545335 /nfs/dbraw/zinc/54/53/35/1416545335.db2.gz ODSXCFQDLJNIAO-CQSZACIVSA-N 1 3 340.826 2.567 10 30 EFEEHO C#CCC[NH+]1CCC(N(CCC)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001690136036 1417162789 /nfs/dbraw/zinc/16/27/89/1417162789.db2.gz BPXPHRTWLFRQEL-UHFFFAOYSA-N 1 3 335.536 2.691 10 30 EFEEHO C=C(C)CC[NH+]1CCC(N(CCC)C(=O)CN2CC[C@H](C)C2)CC1 ZINC001690136432 1417162915 /nfs/dbraw/zinc/16/29/15/1417162915.db2.gz MIXSYBQFHMTKJH-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001690356619 1417195025 /nfs/dbraw/zinc/19/50/25/1417195025.db2.gz PHMSNZSCMDOPKL-JEWRLFTDSA-N 1 3 339.499 2.790 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[C@@H]2CCC[N@H+]2CC=C(C)C)CC1 ZINC001690919360 1417246355 /nfs/dbraw/zinc/24/63/55/1417246355.db2.gz LTYUAMDPPBILBC-HXUWFJFHSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC=C(C)C)CC1 ZINC001690919360 1417246358 /nfs/dbraw/zinc/24/63/58/1417246358.db2.gz LTYUAMDPPBILBC-HXUWFJFHSA-N 1 3 345.531 2.659 10 30 EFEEHO CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001692329820 1417278224 /nfs/dbraw/zinc/27/82/24/1417278224.db2.gz NVSHXSBVFCPTQB-RTBURBONSA-N 1 3 333.520 2.633 10 30 EFEEHO C=C(C)CC[NH2+]C[C@@]1(NC(=O)Cc2nc[nH]c2C)CCCC[C@@H]1C ZINC001698662410 1417308870 /nfs/dbraw/zinc/30/88/70/1417308870.db2.gz MFBJVPVGZZRJLZ-KXBFYZLASA-N 1 3 332.492 2.882 10 30 EFEEHO C=C(C)CC[NH2+]CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001699533056 1417428312 /nfs/dbraw/zinc/42/83/12/1417428312.db2.gz AMEQUFXSAUHRKI-SFHVURJKSA-N 1 3 327.488 2.603 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001699672994 1417446364 /nfs/dbraw/zinc/44/63/64/1417446364.db2.gz IETCJOMIFDXTGQ-RBUKOAKNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001699672994 1417446365 /nfs/dbraw/zinc/44/63/65/1417446365.db2.gz IETCJOMIFDXTGQ-RBUKOAKNSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCN1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001700863992 1417666105 /nfs/dbraw/zinc/66/61/05/1417666105.db2.gz CLIQXYDLGVZGSZ-FXAWDEMLSA-N 1 3 333.520 2.798 10 30 EFEEHO C=C(C)CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C(C)C)C(C)(C)[C@H]21 ZINC001707189550 1418227465 /nfs/dbraw/zinc/22/74/65/1418227465.db2.gz ULFHWNTVFQTSSW-NEWSRXKRSA-N 1 3 335.536 2.898 10 30 EFEEHO C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C(C)C)C(C)(C)[C@H]21 ZINC001707189550 1418227468 /nfs/dbraw/zinc/22/74/68/1418227468.db2.gz ULFHWNTVFQTSSW-NEWSRXKRSA-N 1 3 335.536 2.898 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CCCC=C)C2)CC1 ZINC001713278687 1418447766 /nfs/dbraw/zinc/44/77/66/1418447766.db2.gz HDJPCKKXFQUUFZ-ICSRJNTNSA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CCCC=C)C2)CC1 ZINC001713278687 1418447769 /nfs/dbraw/zinc/44/77/69/1418447769.db2.gz HDJPCKKXFQUUFZ-ICSRJNTNSA-N 1 3 345.531 2.515 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001713282950 1418451796 /nfs/dbraw/zinc/45/17/96/1418451796.db2.gz QFJYWFQWVSIWCF-QQXKLLMISA-N 1 3 333.520 2.652 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001713282950 1418451800 /nfs/dbraw/zinc/45/18/00/1418451800.db2.gz QFJYWFQWVSIWCF-QQXKLLMISA-N 1 3 333.520 2.652 10 30 EFEEHO C=CCC[NH2+]C1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001713290191 1418456489 /nfs/dbraw/zinc/45/64/89/1418456489.db2.gz DAVYQACKYLZKRE-RJYAGPCLSA-N 1 3 339.499 2.792 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001713423634 1418518667 /nfs/dbraw/zinc/51/86/67/1418518667.db2.gz YHSLXYQFJZDWPG-MSOLQXFVSA-N 1 3 341.499 2.577 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001713423635 1418518923 /nfs/dbraw/zinc/51/89/23/1418518923.db2.gz YHSLXYQFJZDWPG-QZTJIDSGSA-N 1 3 341.499 2.577 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001716705518 1418964027 /nfs/dbraw/zinc/96/40/27/1418964027.db2.gz BEWDTGQJIRRUAD-OALUTQOASA-N 1 3 335.536 2.996 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C(C)C)C1 ZINC001716705518 1418964030 /nfs/dbraw/zinc/96/40/30/1418964030.db2.gz BEWDTGQJIRRUAD-OALUTQOASA-N 1 3 335.536 2.996 10 30 EFEEHO CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001716706535 1418965590 /nfs/dbraw/zinc/96/55/90/1418965590.db2.gz QUMOAPIKABLVGG-OALUTQOASA-N 1 3 347.547 2.691 10 30 EFEEHO CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001716706535 1418965593 /nfs/dbraw/zinc/96/55/93/1418965593.db2.gz QUMOAPIKABLVGG-OALUTQOASA-N 1 3 347.547 2.691 10 30 EFEEHO C=CCCC[N@H+](CC1CC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001716715194 1418970499 /nfs/dbraw/zinc/97/04/99/1418970499.db2.gz OXHPPKDZVNTQQA-UHFFFAOYSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCCC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001716715194 1418970502 /nfs/dbraw/zinc/97/05/02/1418970502.db2.gz OXHPPKDZVNTQQA-UHFFFAOYSA-N 1 3 333.520 2.751 10 30 EFEEHO CC#CCN1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001716900708 1419086519 /nfs/dbraw/zinc/08/65/19/1419086519.db2.gz SHWMGBDFMVAEJU-OAQYLSRUSA-N 1 3 341.499 2.603 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](C[C@H](C)CC)C2)CC1 ZINC001716903144 1419088498 /nfs/dbraw/zinc/08/84/98/1419088498.db2.gz XXWRYAZLFPCFKD-NQIIRXRSSA-N 1 3 347.547 2.596 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@]2(C)CCC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001716903144 1419088505 /nfs/dbraw/zinc/08/85/05/1419088505.db2.gz XXWRYAZLFPCFKD-NQIIRXRSSA-N 1 3 347.547 2.596 10 30 EFEEHO CCCCCCC[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001717010369 1419145924 /nfs/dbraw/zinc/14/59/24/1419145924.db2.gz AINSZZGKWNLAPY-HDICACEKSA-N 1 3 335.536 2.831 10 30 EFEEHO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001717010369 1419145929 /nfs/dbraw/zinc/14/59/29/1419145929.db2.gz AINSZZGKWNLAPY-HDICACEKSA-N 1 3 335.536 2.831 10 30 EFEEHO C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)CN(C)CC(C)(C)C ZINC001717112897 1419217015 /nfs/dbraw/zinc/21/70/15/1419217015.db2.gz DBGVLUNWHZIGOV-UHFFFAOYSA-N 1 3 343.515 2.736 10 30 EFEEHO C#CCC[N@H+](C)Cc1ccccc1CNC(=O)CN(C)CC(C)(C)C ZINC001717112897 1419217018 /nfs/dbraw/zinc/21/70/18/1419217018.db2.gz DBGVLUNWHZIGOV-UHFFFAOYSA-N 1 3 343.515 2.736 10 30 EFEEHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001717125818 1419226312 /nfs/dbraw/zinc/22/63/12/1419226312.db2.gz TXQXPARHSDPQEV-IRJFHVNHSA-N 1 3 341.499 2.650 10 30 EFEEHO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCC=C)CC1 ZINC001717215546 1419269423 /nfs/dbraw/zinc/26/94/23/1419269423.db2.gz NLMXNZINMLPBEE-KDURUIRLSA-N 1 3 331.504 2.668 10 30 EFEEHO CC#CCNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717734391 1419530333 /nfs/dbraw/zinc/53/03/33/1419530333.db2.gz CRKUSINXNVOOPM-PMACEKPBSA-N 1 3 345.531 2.633 10 30 EFEEHO CC#CCNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001717734391 1419530335 /nfs/dbraw/zinc/53/03/35/1419530335.db2.gz CRKUSINXNVOOPM-PMACEKPBSA-N 1 3 345.531 2.633 10 30 EFEEHO CC#CCNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717734392 1419530369 /nfs/dbraw/zinc/53/03/69/1419530369.db2.gz CRKUSINXNVOOPM-UXHICEINSA-N 1 3 345.531 2.633 10 30 EFEEHO CC#CCNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001717734392 1419530373 /nfs/dbraw/zinc/53/03/73/1419530373.db2.gz CRKUSINXNVOOPM-UXHICEINSA-N 1 3 345.531 2.633 10 30 EFEEHO CC[C@@H](C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1)[NH+](CC)CC ZINC001717740980 1419532234 /nfs/dbraw/zinc/53/22/34/1419532234.db2.gz JQNNSWJYLDFWQA-ICSRJNTNSA-N 1 3 343.515 2.595 10 30 EFEEHO C=C(C)CC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C(F)(F)F ZINC001717987253 1419644186 /nfs/dbraw/zinc/64/41/86/1419644186.db2.gz RRJFUGBKDWYSQG-CABCVRRESA-N 1 3 349.441 2.662 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001717987256 1419644389 /nfs/dbraw/zinc/64/43/89/1419644389.db2.gz RRJFUGBKDWYSQG-LSDHHAIUSA-N 1 3 349.441 2.662 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001723689705 1424557866 /nfs/dbraw/zinc/55/78/66/1424557866.db2.gz BNEAVYJZXNYNST-LPHOPBHVSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001723689705 1424557870 /nfs/dbraw/zinc/55/78/70/1424557870.db2.gz BNEAVYJZXNYNST-LPHOPBHVSA-N 1 3 330.476 2.621 10 30 EFEEHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001724058114 1424639824 /nfs/dbraw/zinc/63/98/24/1424639824.db2.gz HOIXOQKEBQMCIL-KRWDZBQOSA-N 1 3 344.503 2.561 10 30 EFEEHO C#CCC[NH2+]C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1CCCC1 ZINC001724110826 1424661742 /nfs/dbraw/zinc/66/17/42/1424661742.db2.gz WPMVOEXUBSYSAG-HXUWFJFHSA-N 1 3 341.499 2.650 10 30 EFEEHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](F)CN(CC)CC)C2 ZINC001724125272 1424667155 /nfs/dbraw/zinc/66/71/55/1424667155.db2.gz CDLWVYMXYCDAMO-MJGOQNOKSA-N 1 3 339.499 2.557 10 30 EFEEHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](F)CN(CC)CC)C2 ZINC001724125272 1424667157 /nfs/dbraw/zinc/66/71/57/1424667157.db2.gz CDLWVYMXYCDAMO-MJGOQNOKSA-N 1 3 339.499 2.557 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001724900812 1425120272 /nfs/dbraw/zinc/12/02/72/1425120272.db2.gz RMGWTYCZVMDBJJ-UYAOXDASSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(C)C)C2 ZINC001724900812 1425120280 /nfs/dbraw/zinc/12/02/80/1425120280.db2.gz RMGWTYCZVMDBJJ-UYAOXDASSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001725011174 1425223248 /nfs/dbraw/zinc/22/32/48/1425223248.db2.gz BUJNVVZLMRNWLA-IBGZPJMESA-N 1 3 329.488 2.620 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC/C=C\CC)C(C)(C)C)CC1 ZINC001725758363 1425825523 /nfs/dbraw/zinc/82/55/23/1425825523.db2.gz RWZMFSHTSOENOR-OLHLWXQYSA-N 1 3 347.547 2.808 10 30 EFEEHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C(F)(F)F ZINC001725784192 1425849632 /nfs/dbraw/zinc/84/96/32/1425849632.db2.gz XHDIVCBOOIPBBB-HUUCEWRRSA-N 1 3 349.441 2.663 10 30 EFEEHO C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001725828684 1425894251 /nfs/dbraw/zinc/89/42/51/1425894251.db2.gz ZRZHIEDKQHGCTH-IBGZPJMESA-N 1 3 333.520 2.964 10 30 EFEEHO C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001725828684 1425894260 /nfs/dbraw/zinc/89/42/60/1425894260.db2.gz ZRZHIEDKQHGCTH-IBGZPJMESA-N 1 3 333.520 2.964 10 30 EFEEHO C=CCCCN(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000892522146 718205015 /nfs/dbraw/zinc/20/50/15/718205015.db2.gz QZSIGFNPUOODOB-UHFFFAOYSA-N 1 3 336.524 2.543 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001569470628 1085269363 /nfs/dbraw/zinc/26/93/63/1085269363.db2.gz BXWSVUZVYKYAOU-ZWKOTPCHSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001569470807 1085269723 /nfs/dbraw/zinc/26/97/23/1085269723.db2.gz JEIHREPRDGBUEX-INIZCTEOSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001569471271 1085269822 /nfs/dbraw/zinc/26/98/22/1085269822.db2.gz ZMMLKKGAFMSXEH-OALUTQOASA-N 1 3 347.547 2.997 10 30 EFEEHO CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001569478941 1085285251 /nfs/dbraw/zinc/28/52/51/1085285251.db2.gz PDUMFFQBMBTBRV-IBGZPJMESA-N 1 3 332.492 2.847 10 30 EFEEHO CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001569478941 1085285259 /nfs/dbraw/zinc/28/52/59/1085285259.db2.gz PDUMFFQBMBTBRV-IBGZPJMESA-N 1 3 332.492 2.847 10 30 EFEEHO C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001569866607 1085693972 /nfs/dbraw/zinc/69/39/72/1085693972.db2.gz CEQUNSVVXJXNTP-IYARVYRRSA-N 1 3 341.499 2.507 10 30 EFEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001570031452 1085883013 /nfs/dbraw/zinc/88/30/13/1085883013.db2.gz PJEASIYADXZDLP-YLJYHZDGSA-N 1 3 341.499 2.850 10 30 EFEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001570031452 1085883028 /nfs/dbraw/zinc/88/30/28/1085883028.db2.gz PJEASIYADXZDLP-YLJYHZDGSA-N 1 3 341.499 2.850 10 30 EFEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001570032691 1085885200 /nfs/dbraw/zinc/88/52/00/1085885200.db2.gz AEODYSWWGLKUKB-QZTJIDSGSA-N 1 3 341.499 2.851 10 30 EFEEHO CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001570033211 1085886167 /nfs/dbraw/zinc/88/61/67/1085886167.db2.gz OMXNQNDFPXKPCI-YLJYHZDGSA-N 1 3 341.499 2.851 10 30 EFEEHO C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001570736106 1086490801 /nfs/dbraw/zinc/49/08/01/1086490801.db2.gz QYXIUSSBVSLGNP-YJBOKZPZSA-N 1 3 327.488 2.602 10 30 EFEEHO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001570736106 1086490802 /nfs/dbraw/zinc/49/08/02/1086490802.db2.gz QYXIUSSBVSLGNP-YJBOKZPZSA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001571016353 1086641845 /nfs/dbraw/zinc/64/18/45/1086641845.db2.gz SJUZWUHCUSTOEX-OKZBNKHCSA-N 1 3 333.520 2.654 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001571016353 1086641852 /nfs/dbraw/zinc/64/18/52/1086641852.db2.gz SJUZWUHCUSTOEX-OKZBNKHCSA-N 1 3 333.520 2.654 10 30 EFEEHO C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001571016349 1086642897 /nfs/dbraw/zinc/64/28/97/1086642897.db2.gz SJUZWUHCUSTOEX-BZSNNMDCSA-N 1 3 333.520 2.654 10 30 EFEEHO C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001571016349 1086642900 /nfs/dbraw/zinc/64/29/00/1086642900.db2.gz SJUZWUHCUSTOEX-BZSNNMDCSA-N 1 3 333.520 2.654 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)CCC[NH2+]CCC(C)(C)C)CC1 ZINC001571326089 1086724206 /nfs/dbraw/zinc/72/42/06/1086724206.db2.gz NKXKFYKGRSVYMN-QGZVFWFLSA-N 1 3 335.536 2.642 10 30 EFEEHO CC#CC[NH2+]CCC[C@H](NC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001571347346 1086745812 /nfs/dbraw/zinc/74/58/12/1086745812.db2.gz RGVCZGXRECYWGG-QUCCMNQESA-N 1 3 341.499 2.579 10 30 EFEEHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC001571563949 1086964312 /nfs/dbraw/zinc/96/43/12/1086964312.db2.gz UBYZKXKNNJDPNR-QZTJIDSGSA-N 1 3 335.536 2.901 10 30 EFEEHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001571571820 1086971786 /nfs/dbraw/zinc/97/17/86/1086971786.db2.gz IAXNHVYCBDEPLK-HUUCEWRRSA-N 1 3 349.441 2.519 10 30 EFEEHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C(F)(F)F ZINC001571571819 1086971945 /nfs/dbraw/zinc/97/19/45/1086971945.db2.gz IAXNHVYCBDEPLK-GJZGRUSLSA-N 1 3 349.441 2.519 10 30 EFEEHO C=C(C)C[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001267096701 1092687037 /nfs/dbraw/zinc/68/70/37/1092687037.db2.gz VUQXMMDVOMZMRX-HXUWFJFHSA-N 1 3 343.515 2.884 10 30 EFEEHO C=C(C)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001267096700 1092687169 /nfs/dbraw/zinc/68/71/69/1092687169.db2.gz VUQXMMDVOMZMRX-FQEVSTJZSA-N 1 3 343.515 2.884 10 30 EFEEHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1)N(C)C ZINC001267151891 1092929318 /nfs/dbraw/zinc/92/93/18/1092929318.db2.gz FKTSFNLVJOWQCF-QAPCUYQASA-N 1 3 349.906 2.516 10 30 EFEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001267163872 1093010847 /nfs/dbraw/zinc/01/08/47/1093010847.db2.gz BJJPNPYDQVQLJB-IAGOWNOFSA-N 1 3 341.927 2.973 10 30 EFEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267163872 1093010852 /nfs/dbraw/zinc/01/08/52/1093010852.db2.gz BJJPNPYDQVQLJB-IAGOWNOFSA-N 1 3 341.927 2.973 10 30 EFEEHO C=CCC[C@H](C)[N@H+](CC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001267250161 1093367966 /nfs/dbraw/zinc/36/79/66/1093367966.db2.gz HKOYKOZWJMQWND-QFBILLFUSA-N 1 3 341.515 2.992 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001267250161 1093367973 /nfs/dbraw/zinc/36/79/73/1093367973.db2.gz HKOYKOZWJMQWND-QFBILLFUSA-N 1 3 341.515 2.992 10 30 EFEEHO C=C(C)CN(CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001267325520 1093581567 /nfs/dbraw/zinc/58/15/67/1093581567.db2.gz JPFQIQCNRGJNAT-KRWDZBQOSA-N 1 3 333.520 2.798 10 30 EFEEHO C=C(C)CN(CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001267325520 1093581571 /nfs/dbraw/zinc/58/15/71/1093581571.db2.gz JPFQIQCNRGJNAT-KRWDZBQOSA-N 1 3 333.520 2.798 10 30 EFEEHO C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCCN1CC)c1ccccc1 ZINC001267382858 1094428802 /nfs/dbraw/zinc/42/88/02/1094428802.db2.gz VJOIQFJEUYUTCN-RBUKOAKNSA-N 1 3 329.488 2.884 10 30 EFEEHO C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001481111636 1094605927 /nfs/dbraw/zinc/60/59/27/1094605927.db2.gz IZNYMYBZYBBJSL-APWZRJJASA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001481111636 1094605932 /nfs/dbraw/zinc/60/59/32/1094605932.db2.gz IZNYMYBZYBBJSL-APWZRJJASA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001481461627 1094699738 /nfs/dbraw/zinc/69/97/38/1094699738.db2.gz GBHAZYFUPQRHOX-KRWDZBQOSA-N 1 3 329.488 2.766 10 30 EFEEHO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001481461627 1094699744 /nfs/dbraw/zinc/69/97/44/1094699744.db2.gz GBHAZYFUPQRHOX-KRWDZBQOSA-N 1 3 329.488 2.766 10 30 EFEEHO C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001268046915 1094891116 /nfs/dbraw/zinc/89/11/16/1094891116.db2.gz PAXCIEBSOWTLPH-QZTJIDSGSA-N 1 3 335.536 2.852 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001481530438 1095144615 /nfs/dbraw/zinc/14/46/15/1095144615.db2.gz WPTIQEGIMMGYCJ-UYAOXDASSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001481530438 1095144617 /nfs/dbraw/zinc/14/46/17/1095144617.db2.gz WPTIQEGIMMGYCJ-UYAOXDASSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCCN[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)c1ccccc1 ZINC001267518888 1095203472 /nfs/dbraw/zinc/20/34/72/1095203472.db2.gz DWBFBWBCZZHRII-WOJBJXKFSA-N 1 3 341.499 2.579 10 30 EFEEHO C#CCCN[C@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC001267518888 1095203486 /nfs/dbraw/zinc/20/34/86/1095203486.db2.gz DWBFBWBCZZHRII-WOJBJXKFSA-N 1 3 341.499 2.579 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001267521175 1095228281 /nfs/dbraw/zinc/22/82/81/1095228281.db2.gz WHIVQSVSMKYZFC-GOSISDBHSA-N 1 3 329.488 2.884 10 30 EFEEHO C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267547393 1095457993 /nfs/dbraw/zinc/45/79/93/1095457993.db2.gz MIUIFMXVADDTEQ-RTBURBONSA-N 1 3 333.520 2.587 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@H]2CC[N@@H+]([C@H](C)CCC=C)C2)CC1 ZINC001267572111 1095711635 /nfs/dbraw/zinc/71/16/35/1095711635.db2.gz WRCYPSOOEDXIQS-MOPGFXCFSA-N 1 3 345.531 2.515 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@H]2CC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001267572111 1095711642 /nfs/dbraw/zinc/71/16/42/1095711642.db2.gz WRCYPSOOEDXIQS-MOPGFXCFSA-N 1 3 345.531 2.515 10 30 EFEEHO C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267575148 1095792270 /nfs/dbraw/zinc/79/22/70/1095792270.db2.gz CWCJFXGMETZVIJ-LPHOPBHVSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267575148 1095792285 /nfs/dbraw/zinc/79/22/85/1095792285.db2.gz CWCJFXGMETZVIJ-LPHOPBHVSA-N 1 3 339.499 2.603 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CC2=CCCCC2)C(C)C)CC1 ZINC001268227586 1096132872 /nfs/dbraw/zinc/13/28/72/1096132872.db2.gz MMRRRIOWEXWCCA-HXUWFJFHSA-N 1 3 345.531 2.562 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001268293490 1096280219 /nfs/dbraw/zinc/28/02/19/1096280219.db2.gz CXQPCRIIOPBSJA-MOPGFXCFSA-N 1 3 329.488 2.812 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001268293493 1096280548 /nfs/dbraw/zinc/28/05/48/1096280548.db2.gz CXQPCRIIOPBSJA-RTBURBONSA-N 1 3 329.488 2.812 10 30 EFEEHO CC#CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001482035000 1097135000 /nfs/dbraw/zinc/13/50/00/1097135000.db2.gz KBRGRXZMYCPJMI-UXHICEINSA-N 1 3 341.499 2.536 10 30 EFEEHO C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001268772238 1097619593 /nfs/dbraw/zinc/61/95/93/1097619593.db2.gz XCDYTZYDANREDB-WOJBJXKFSA-N 1 3 341.499 2.650 10 30 EFEEHO CC[C@@H](CNC(=O)CC[N@H+](C)CC)NCC#Cc1ccccc1Cl ZINC001269493271 1098182939 /nfs/dbraw/zinc/18/29/39/1098182939.db2.gz UWLNXVXFOUQCDS-KRWDZBQOSA-N 1 3 349.906 2.518 10 30 EFEEHO CC[C@@H](CNC(=O)CC[N@@H+](C)CC)NCC#Cc1ccccc1Cl ZINC001269493271 1098182941 /nfs/dbraw/zinc/18/29/41/1098182941.db2.gz UWLNXVXFOUQCDS-KRWDZBQOSA-N 1 3 349.906 2.518 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]CCC(C)(C)C)CCCC2)CC1 ZINC001269591841 1098274419 /nfs/dbraw/zinc/27/44/19/1098274419.db2.gz JRMNKEKXRKUTGO-UHFFFAOYSA-N 1 3 347.547 2.786 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001482235500 1098316131 /nfs/dbraw/zinc/31/61/31/1098316131.db2.gz IDJDITFJTNYDAD-HOTGVXAUSA-N 1 3 341.927 2.878 10 30 EFEEHO C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001267914484 1098606008 /nfs/dbraw/zinc/60/60/08/1098606008.db2.gz HUNJIVVHRNCMEX-ROUUACIJSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001267914483 1098606525 /nfs/dbraw/zinc/60/65/25/1098606525.db2.gz HUNJIVVHRNCMEX-QZTJIDSGSA-N 1 3 335.536 2.901 10 30 EFEEHO C=C(Cl)C[NH2+]CCC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001267917210 1098642669 /nfs/dbraw/zinc/64/26/69/1098642669.db2.gz YCMAVOHIWCAFKJ-UHFFFAOYSA-N 1 3 341.927 2.689 10 30 EFEEHO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CN(C)CC(C)(C)C)CC2 ZINC001267973847 1099030327 /nfs/dbraw/zinc/03/03/27/1099030327.db2.gz CIEDBXYPVUAPAT-UHFFFAOYSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)CC(C)(C)C)CC2 ZINC001267973847 1099030341 /nfs/dbraw/zinc/03/03/41/1099030341.db2.gz CIEDBXYPVUAPAT-UHFFFAOYSA-N 1 3 335.536 2.855 10 30 EFEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1CCCC1 ZINC001270439878 1099092992 /nfs/dbraw/zinc/09/29/92/1099092992.db2.gz BZAFEFUXJSCVMM-PKOBYXMFSA-N 1 3 333.520 2.539 10 30 EFEEHO C=CCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001671256800 1099372448 /nfs/dbraw/zinc/37/24/48/1099372448.db2.gz KQUQQALGUFEPTO-APWZRJJASA-N 1 3 329.488 2.907 10 30 EFEEHO C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC001481365905 1099484433 /nfs/dbraw/zinc/48/44/33/1099484433.db2.gz BVUXFMGYBAQXFE-RBUKOAKNSA-N 1 3 329.488 2.882 10 30 EFEEHO C=C(C)CN[C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001481370846 1099502549 /nfs/dbraw/zinc/50/25/49/1099502549.db2.gz NATJSKQKMQRYAU-IBGZPJMESA-N 1 3 329.488 2.742 10 30 EFEEHO C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001267896996 1099929813 /nfs/dbraw/zinc/92/98/13/1099929813.db2.gz UOOASQZTIJEZFY-QGZVFWFLSA-N 1 3 341.927 2.689 10 30 EFEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1CCC)C1CCCCC1 ZINC001482406090 1100042637 /nfs/dbraw/zinc/04/26/37/1100042637.db2.gz MRTOPNZUQRSEON-OALUTQOASA-N 1 3 333.520 2.539 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001629373317 1100204947 /nfs/dbraw/zinc/20/49/47/1100204947.db2.gz IFYDQDVHMXMFSX-UHFFFAOYSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1CC ZINC001670587019 1101370123 /nfs/dbraw/zinc/37/01/23/1101370123.db2.gz DRNGYUNOZMUWJA-RTBURBONSA-N 1 3 335.536 2.901 10 30 EFEEHO CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1CC ZINC001670594993 1101377603 /nfs/dbraw/zinc/37/76/03/1101377603.db2.gz IOVVKMPSHQXPEI-QUCCMNQESA-N 1 3 341.499 2.602 10 30 EFEEHO C#CCOc1ccc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)cc1 ZINC001652509657 1101504911 /nfs/dbraw/zinc/50/49/11/1101504911.db2.gz UWUFJWGAUXPOQW-UHFFFAOYSA-N 1 3 342.483 2.822 10 30 EFEEHO C=CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001266379984 1101789116 /nfs/dbraw/zinc/78/91/16/1101789116.db2.gz OZNDBLUSXSAVSB-GOSISDBHSA-N 1 3 344.503 2.978 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)CC1 ZINC001656398566 1102051415 /nfs/dbraw/zinc/05/14/15/1102051415.db2.gz LXHJUYOFNOTNJQ-GOSISDBHSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCN(Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)CC1CC1 ZINC001657376984 1102376868 /nfs/dbraw/zinc/37/68/68/1102376868.db2.gz WGAZQODINOAWKA-UHFFFAOYSA-N 1 3 336.382 2.915 10 30 EFEEHO C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001482501412 1102423271 /nfs/dbraw/zinc/42/32/71/1102423271.db2.gz OQMPZVXQJFFEEY-FXAWDEMLSA-N 1 3 341.499 2.602 10 30 EFEEHO CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001266889113 1102600815 /nfs/dbraw/zinc/60/08/15/1102600815.db2.gz IBCYBMLAOUEKDR-MOPGFXCFSA-N 1 3 333.520 2.587 10 30 EFEEHO CC#CCN1CCC[C@H]([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001266890179 1102603288 /nfs/dbraw/zinc/60/32/88/1102603288.db2.gz JBIJMNAJZQANLM-OALUTQOASA-N 1 3 347.547 2.881 10 30 EFEEHO CC#CCN1CCC[C@H]([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001266890179 1102603295 /nfs/dbraw/zinc/60/32/95/1102603295.db2.gz JBIJMNAJZQANLM-OALUTQOASA-N 1 3 347.547 2.881 10 30 EFEEHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001266906021 1102653486 /nfs/dbraw/zinc/65/34/86/1102653486.db2.gz CJGDVABURREPTI-MCWQTJMBSA-N 1 3 333.520 2.652 10 30 EFEEHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001266906021 1102653489 /nfs/dbraw/zinc/65/34/89/1102653489.db2.gz CJGDVABURREPTI-MCWQTJMBSA-N 1 3 333.520 2.652 10 30 EFEEHO C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001670523403 1102799129 /nfs/dbraw/zinc/79/91/29/1102799129.db2.gz XGMLRYQVIZOXLE-APWZRJJASA-N 1 3 339.499 2.650 10 30 EFEEHO C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001661978662 1103534095 /nfs/dbraw/zinc/53/40/95/1103534095.db2.gz WMGMSAOIJIUDLZ-WOJBJXKFSA-N 1 3 345.531 2.731 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001482571365 1103693743 /nfs/dbraw/zinc/69/37/43/1103693743.db2.gz LNVGXPDKTMXXIO-IAGOWNOFSA-N 1 3 343.943 2.980 10 30 EFEEHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001662728048 1103773735 /nfs/dbraw/zinc/77/37/35/1103773735.db2.gz MQDULGYMNCXMMJ-GOSISDBHSA-N 1 3 329.488 2.766 10 30 EFEEHO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001663103751 1103980297 /nfs/dbraw/zinc/98/02/97/1103980297.db2.gz DVLFDRRIGOXZEV-LPHOPBHVSA-N 1 3 339.499 2.746 10 30 EFEEHO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001663103751 1103980302 /nfs/dbraw/zinc/98/03/02/1103980302.db2.gz DVLFDRRIGOXZEV-LPHOPBHVSA-N 1 3 339.499 2.746 10 30 EFEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)CC[NH+]1CCCCC1 ZINC001663123535 1103997979 /nfs/dbraw/zinc/99/79/79/1103997979.db2.gz HYBMJIQCELEORN-KRWDZBQOSA-N 1 3 341.927 2.976 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001482664179 1104771772 /nfs/dbraw/zinc/77/17/72/1104771772.db2.gz SQUWBSRSAULPTD-QZTJIDSGSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001482664179 1104771777 /nfs/dbraw/zinc/77/17/77/1104771777.db2.gz SQUWBSRSAULPTD-QZTJIDSGSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001482664181 1104772702 /nfs/dbraw/zinc/77/27/02/1104772702.db2.gz SQUWBSRSAULPTD-ZWKOTPCHSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]21 ZINC001482664181 1104772704 /nfs/dbraw/zinc/77/27/04/1104772704.db2.gz SQUWBSRSAULPTD-ZWKOTPCHSA-N 1 3 335.536 2.853 10 30 EFEEHO C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001665844392 1104793197 /nfs/dbraw/zinc/79/31/97/1104793197.db2.gz JANKTNMKKFZKSD-YJBOKZPZSA-N 1 3 327.488 2.650 10 30 EFEEHO C#CCNCc1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC001666347729 1104931591 /nfs/dbraw/zinc/93/15/91/1104931591.db2.gz PXQIUBYMUCGVJW-HXUWFJFHSA-N 1 3 341.499 2.536 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001666501298 1104954115 /nfs/dbraw/zinc/95/41/15/1104954115.db2.gz UFZXNEYPBOAOHI-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)CN(C)CCC)CC2 ZINC001666501298 1104954122 /nfs/dbraw/zinc/95/41/22/1104954122.db2.gz UFZXNEYPBOAOHI-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC2CCCC2)CC(C)C)CC1 ZINC001667118329 1105055486 /nfs/dbraw/zinc/05/54/86/1105055486.db2.gz POCIJWFLXAKUFG-HXUWFJFHSA-N 1 3 347.547 2.642 10 30 EFEEHO CC#CC[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1CCCCC1 ZINC001667134860 1105059661 /nfs/dbraw/zinc/05/96/61/1105059661.db2.gz NBRLDYPJYOCXMX-IBGZPJMESA-N 1 3 347.547 2.929 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001667693550 1105180373 /nfs/dbraw/zinc/18/03/73/1105180373.db2.gz IKJSFXNTPZSTAA-WMZOPIPTSA-N 1 3 330.476 2.621 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001667693550 1105180376 /nfs/dbraw/zinc/18/03/76/1105180376.db2.gz IKJSFXNTPZSTAA-WMZOPIPTSA-N 1 3 330.476 2.621 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCCC=C)CC1 ZINC001669987206 1105565145 /nfs/dbraw/zinc/56/51/45/1105565145.db2.gz YDWXVQQWQAEFDJ-PMACEKPBSA-N 1 3 345.531 2.562 10 30 EFEEHO C=C(Cl)CNCCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001670095508 1105579789 /nfs/dbraw/zinc/57/97/89/1105579789.db2.gz NFCGLAFXBWJPAL-INIZCTEOSA-N 1 3 341.927 2.832 10 30 EFEEHO C=C(Cl)CNCCCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001670095508 1105579796 /nfs/dbraw/zinc/57/97/96/1105579796.db2.gz NFCGLAFXBWJPAL-INIZCTEOSA-N 1 3 341.927 2.832 10 30 EFEEHO C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001670250021 1105604331 /nfs/dbraw/zinc/60/43/31/1105604331.db2.gz RAIJJHPCGMWUHH-APWZRJJASA-N 1 3 341.515 2.992 10 30 EFEEHO C#CCNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc2ccccc2c1 ZINC001671512597 1105648487 /nfs/dbraw/zinc/64/84/87/1105648487.db2.gz LBDPWGPYTWLWOB-MAODMQOUSA-N 1 3 349.478 2.560 10 30 EFEEHO C#CCNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc2ccccc2c1 ZINC001671512597 1105648490 /nfs/dbraw/zinc/64/84/90/1105648490.db2.gz LBDPWGPYTWLWOB-MAODMQOUSA-N 1 3 349.478 2.560 10 30 EFEEHO C#CC[NH+]1CCC([C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001672170785 1105764828 /nfs/dbraw/zinc/76/48/28/1105764828.db2.gz KKCGZNOCIFCWTE-IBGZPJMESA-N 1 3 347.547 2.548 10 30 EFEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001672338292 1105805652 /nfs/dbraw/zinc/80/56/52/1105805652.db2.gz GNDBZNOQWJFHBK-LPHOPBHVSA-N 1 3 329.488 2.622 10 30 EFEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2CCC)cc1 ZINC001672938006 1105944259 /nfs/dbraw/zinc/94/42/59/1105944259.db2.gz OUYQNRYCCHDDCP-FXAWDEMLSA-N 1 3 341.499 2.851 10 30 EFEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CCC)cc1 ZINC001672938006 1105944263 /nfs/dbraw/zinc/94/42/63/1105944263.db2.gz OUYQNRYCCHDDCP-FXAWDEMLSA-N 1 3 341.499 2.851 10 30 EFEEHO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001672995085 1105956050 /nfs/dbraw/zinc/95/60/50/1105956050.db2.gz SWOLQGAFGVKAFU-RUCARUNLSA-N 1 3 329.488 2.812 10 30 EFEEHO C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001674272597 1106164206 /nfs/dbraw/zinc/16/42/06/1106164206.db2.gz ZSUKDHYUWMZECO-ICSRJNTNSA-N 1 3 341.499 2.620 10 30 EFEEHO C=CCCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001674272597 1106164208 /nfs/dbraw/zinc/16/42/08/1106164208.db2.gz ZSUKDHYUWMZECO-ICSRJNTNSA-N 1 3 341.499 2.620 10 30 EFEEHO CC#CC[NH+]1CCC2(CCN(C(=O)CN(C)CC(C)(C)C)CC2)CC1 ZINC001674295036 1106168369 /nfs/dbraw/zinc/16/83/69/1106168369.db2.gz XXMUUUPJLUHDCW-UHFFFAOYSA-N 1 3 347.547 2.692 10 30 EFEEHO C=CCN(C)C[C@@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001674469488 1106197907 /nfs/dbraw/zinc/19/79/07/1106197907.db2.gz KYROKEBTKAPBCG-SFHVURJKSA-N 1 3 329.488 2.513 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001674775920 1106254704 /nfs/dbraw/zinc/25/47/04/1106254704.db2.gz YXDJJFWVJQJMNI-IAGOWNOFSA-N 1 3 335.536 2.641 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001674775896 1106255236 /nfs/dbraw/zinc/25/52/36/1106255236.db2.gz YNXKJIJIZQENMT-QZTJIDSGSA-N 1 3 345.531 2.705 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CCCC(C)C)C(C)(C)C)CC1 ZINC001677306078 1106695005 /nfs/dbraw/zinc/69/50/05/1106695005.db2.gz AQHOQXMCZZWEJL-LJQANCHMSA-N 1 3 349.563 2.888 10 30 EFEEHO C=C(C)C[NH2+]Cc1ccc(CNC(=O)CN(C)C2CCC2)c(F)c1 ZINC001677643283 1106804552 /nfs/dbraw/zinc/80/45/52/1106804552.db2.gz NXWGWGHDNKOROP-UHFFFAOYSA-N 1 3 333.451 2.592 10 30 EFEEHO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001409349784 1107634151 /nfs/dbraw/zinc/63/41/51/1107634151.db2.gz GROXEQLBNBWASZ-CVEARBPZSA-N 1 3 344.503 2.519 10 30 EFEEHO CCCCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001272226435 1108330747 /nfs/dbraw/zinc/33/07/47/1108330747.db2.gz ROFGEMYVZLQGSI-WMZOPIPTSA-N 1 3 332.492 2.845 10 30 EFEEHO CCCCCCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001272226435 1108330759 /nfs/dbraw/zinc/33/07/59/1108330759.db2.gz ROFGEMYVZLQGSI-WMZOPIPTSA-N 1 3 332.492 2.845 10 30 EFEEHO C=C(C)C[NH+]1CCC(NC[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905097052 1108427451 /nfs/dbraw/zinc/42/74/51/1108427451.db2.gz NXJOCLMDMQMSDC-GFCCVEGCSA-N 1 3 330.341 2.565 10 30 EFEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1CCCC1 ZINC001484008148 1112657165 /nfs/dbraw/zinc/65/71/65/1112657165.db2.gz NZVBFZUIHWZGKH-HKUYNNGSSA-N 1 3 333.520 2.539 10 30 EFEEHO C=C(C)C[N@H+]1CCc2c(CNC(=O)[C@@H](CC)N(C)C)cccc2C1 ZINC001484611995 1113052782 /nfs/dbraw/zinc/05/27/82/1113052782.db2.gz AWRAXBBUWQMDGX-LJQANCHMSA-N 1 3 329.488 2.577 10 30 EFEEHO C=C(C)C[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)N(C)C)cccc2C1 ZINC001484611995 1113052785 /nfs/dbraw/zinc/05/27/85/1113052785.db2.gz AWRAXBBUWQMDGX-LJQANCHMSA-N 1 3 329.488 2.577 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001485085769 1118025179 /nfs/dbraw/zinc/02/51/79/1118025179.db2.gz WKMXUMHWCOXBAU-UXHICEINSA-N 1 3 347.547 2.997 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001485085769 1118025182 /nfs/dbraw/zinc/02/51/82/1118025182.db2.gz WKMXUMHWCOXBAU-UXHICEINSA-N 1 3 347.547 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCC2CCCC2)CC1 ZINC001485230727 1118156596 /nfs/dbraw/zinc/15/65/96/1118156596.db2.gz XIZYVDKLNDLNGZ-MSOLQXFVSA-N 1 3 347.547 2.785 10 30 EFEEHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001485263528 1118182156 /nfs/dbraw/zinc/18/21/56/1118182156.db2.gz IABRRNMBNJTSRA-CVEARBPZSA-N 1 3 343.943 2.934 10 30 EFEEHO CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800798 1118634036 /nfs/dbraw/zinc/63/40/36/1118634036.db2.gz HMHCBBZEUHNXFH-RBUKOAKNSA-N 1 3 345.531 2.633 10 30 EFEEHO CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940800798 1118634040 /nfs/dbraw/zinc/63/40/40/1118634040.db2.gz HMHCBBZEUHNXFH-RBUKOAKNSA-N 1 3 345.531 2.633 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](C)CC)CC2(C)C)CC1 ZINC000941237447 1118695828 /nfs/dbraw/zinc/69/58/28/1118695828.db2.gz NMKGULZRIKQHSZ-PKOBYXMFSA-N 1 3 347.547 2.594 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H](C)CC)CC2(C)C)CC1 ZINC000941237447 1118695829 /nfs/dbraw/zinc/69/58/29/1118695829.db2.gz NMKGULZRIKQHSZ-PKOBYXMFSA-N 1 3 347.547 2.594 10 30 EFEEHO C[NH+]=C(NCc1nccc2ccccc21)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000245629689 240258085 /nfs/dbraw/zinc/25/80/85/240258085.db2.gz PRGDKUVISVZKNK-HNAYVOBHSA-N 1 3 339.487 2.629 10 30 EFEEHO N#C[C@H]1CCC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000414296947 244079456 /nfs/dbraw/zinc/07/94/56/244079456.db2.gz FWGNIVJADATDJB-RBUKOAKNSA-N 1 3 327.472 2.685 10 30 EFEEHO N#Cc1cccc(NC(=O)CCN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000171139479 473300067 /nfs/dbraw/zinc/30/00/67/473300067.db2.gz DGZVXVRAUKYYPO-UHFFFAOYSA-N 1 3 340.471 2.695 10 30 EFEEHO C=CCCCN(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076733758 472393743 /nfs/dbraw/zinc/39/37/43/472393743.db2.gz MOOHSNBKRGKESJ-UHFFFAOYSA-N 1 3 329.488 2.797 10 30 EFEEHO CC(C)CN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000130834558 472632529 /nfs/dbraw/zinc/63/25/29/472632529.db2.gz OIVHWBVYMUTSEE-NVXWUHKLSA-N 1 3 330.476 2.535 10 30 EFEEHO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(CN2CCCC2)c1 ZINC000104327113 472667091 /nfs/dbraw/zinc/66/70/91/472667091.db2.gz HINWHTOYLRFZEP-UHFFFAOYSA-N 1 3 342.487 2.590 10 30 EFEEHO N#Cc1ccc(NC(=O)CCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000065595701 472985944 /nfs/dbraw/zinc/98/59/44/472985944.db2.gz TUNMZITVVUWFRV-UHFFFAOYSA-N 1 3 340.471 2.695 10 30 EFEEHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358576232 475781518 /nfs/dbraw/zinc/78/15/18/475781518.db2.gz SYJAJYCDEWQYLX-HOTGVXAUSA-N 1 3 332.467 2.622 10 30 EFEEHO CC[NH+]1CCC(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000411759605 477357459 /nfs/dbraw/zinc/35/74/59/477357459.db2.gz QMFJQILYFLWUKQ-IBGZPJMESA-N 1 3 342.487 2.612 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000417545091 477455558 /nfs/dbraw/zinc/45/55/58/477455558.db2.gz XDFMRIDVTGUJPZ-HNNXBMFYSA-N 1 3 330.476 2.546 10 30 EFEEHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](N)CCCCC#N ZINC000594435147 478385820 /nfs/dbraw/zinc/38/58/20/478385820.db2.gz BJSTWQWOZUCSIY-SFHVURJKSA-N 1 3 330.476 2.508 10 30 EFEEHO N#CCCCC[C@@H](N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000594440654 478388329 /nfs/dbraw/zinc/38/83/29/478388329.db2.gz HKBQMAPLXIVNBO-GOSISDBHSA-N 1 3 334.508 2.512 10 30 EFEEHO N#CCCCC[C@@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000594440654 478388336 /nfs/dbraw/zinc/38/83/36/478388336.db2.gz HKBQMAPLXIVNBO-GOSISDBHSA-N 1 3 334.508 2.512 10 30 EFEEHO N#CCCCC[C@@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000594439565 478389043 /nfs/dbraw/zinc/38/90/43/478389043.db2.gz XIPSGYQCZZQEOR-QZTJIDSGSA-N 1 3 334.508 2.512 10 30 EFEEHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594439220 478389299 /nfs/dbraw/zinc/38/92/99/478389299.db2.gz UEGPIILUIDEIJD-QFBILLFUSA-N 1 3 342.487 2.739 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527731863 478496419 /nfs/dbraw/zinc/49/64/19/478496419.db2.gz XTMWLYRGJDWKRK-IBGZPJMESA-N 1 3 348.535 2.733 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527731863 478496423 /nfs/dbraw/zinc/49/64/23/478496423.db2.gz XTMWLYRGJDWKRK-IBGZPJMESA-N 1 3 348.535 2.733 10 30 EFEEHO N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000600738556 478498544 /nfs/dbraw/zinc/49/85/44/478498544.db2.gz JKOMTMHOEGFAJH-VQTJNVASSA-N 1 3 341.499 2.933 10 30 EFEEHO N#CC1(C[C@@H](O)CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000600738556 478498550 /nfs/dbraw/zinc/49/85/50/478498550.db2.gz JKOMTMHOEGFAJH-VQTJNVASSA-N 1 3 341.499 2.933 10 30 EFEEHO N#CC1(C[C@@H](O)CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000600738556 478498556 /nfs/dbraw/zinc/49/85/56/478498556.db2.gz JKOMTMHOEGFAJH-VQTJNVASSA-N 1 3 341.499 2.933 10 30 EFEEHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(C#N)c1 ZINC000595069881 478649953 /nfs/dbraw/zinc/64/99/53/478649953.db2.gz LWKJMWLAYUOZDB-IERDGZPVSA-N 1 3 335.451 2.976 10 30 EFEEHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(C#N)c1 ZINC000595069881 478649961 /nfs/dbraw/zinc/64/99/61/478649961.db2.gz LWKJMWLAYUOZDB-IERDGZPVSA-N 1 3 335.451 2.976 10 30 EFEEHO Cc1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1C#N ZINC000599369566 479272536 /nfs/dbraw/zinc/27/25/36/479272536.db2.gz DYGNROCIJXMCKW-UHFFFAOYSA-N 1 3 340.515 2.716 10 30 EFEEHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405540 479286762 /nfs/dbraw/zinc/28/67/62/479286762.db2.gz YOAGXXIGODPVRC-DLBZAZTESA-N 1 3 347.528 2.865 10 30 EFEEHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405540 479286767 /nfs/dbraw/zinc/28/67/67/479286767.db2.gz YOAGXXIGODPVRC-DLBZAZTESA-N 1 3 347.528 2.865 10 30 EFEEHO C=C(C)CN1CCC(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000632986569 480835730 /nfs/dbraw/zinc/83/57/30/480835730.db2.gz CNEQBJTVNBICJB-UHFFFAOYSA-N 1 3 348.535 2.687 10 30 EFEEHO C=CCN1CCC(NC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)CC1 ZINC000633042285 480856066 /nfs/dbraw/zinc/85/60/66/480856066.db2.gz RZPGROWHOFGHHX-UHFFFAOYSA-N 1 3 348.535 2.687 10 30 EFEEHO C=CCOc1ccccc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705273 481273240 /nfs/dbraw/zinc/27/32/40/481273240.db2.gz AVYRNTUORXNLPC-NLWGTHIKSA-N 1 3 330.472 2.970 10 30 EFEEHO C=CC[C@]1(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)CCC[NH2+]1 ZINC000662662153 481922201 /nfs/dbraw/zinc/92/22/01/481922201.db2.gz AQJKQBWOKOFOEU-UYAOXDASSA-N 1 3 329.488 2.666 10 30 EFEEHO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000651743566 481928800 /nfs/dbraw/zinc/92/88/00/481928800.db2.gz ZUGMGBPKQNRTIC-HOJAQTOUSA-N 1 3 343.515 2.610 10 30 EFEEHO C=CC[C@]1(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCC[NH2+]1 ZINC000662698220 481939967 /nfs/dbraw/zinc/93/99/67/481939967.db2.gz JTMWWJQIJVGHOD-VQIMIIECSA-N 1 3 347.528 2.775 10 30 EFEEHO C=CC[C@]1(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CCC[NH2+]1 ZINC000662700387 481941678 /nfs/dbraw/zinc/94/16/78/481941678.db2.gz IATMKJNFSWMUAZ-TZIWHRDSSA-N 1 3 341.499 2.946 10 30 EFEEHO C=CC[C@@]1(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CCC[NH2+]1 ZINC000662700384 481941715 /nfs/dbraw/zinc/94/17/15/481941715.db2.gz IATMKJNFSWMUAZ-FPOVZHCZSA-N 1 3 341.499 2.946 10 30 EFEEHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691075935 1248362952 /nfs/dbraw/zinc/36/29/52/1248362952.db2.gz WCSPCIDSGJQKOY-RTBURBONSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCCC[N@@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001691226308 1248552462 /nfs/dbraw/zinc/55/24/62/1248552462.db2.gz WRGNQVFUUFAYFK-IBGZPJMESA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCCC[N@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001691226308 1248552473 /nfs/dbraw/zinc/55/24/73/1248552473.db2.gz WRGNQVFUUFAYFK-IBGZPJMESA-N 1 3 339.499 2.746 10 30 EFEEHO C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001485827538 1257001092 /nfs/dbraw/zinc/00/10/92/1257001092.db2.gz PLCLUDAWSRNRDE-VQIMIIECSA-N 1 3 339.499 2.602 10 30 EFEEHO C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001670988995 1259345485 /nfs/dbraw/zinc/34/54/85/1259345485.db2.gz DMVLXBDPMPWOKG-KRWDZBQOSA-N 1 3 333.520 2.607 10 30 EFEEHO C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001670988995 1259345492 /nfs/dbraw/zinc/34/54/92/1259345492.db2.gz DMVLXBDPMPWOKG-KRWDZBQOSA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001486222631 1262827650 /nfs/dbraw/zinc/82/76/50/1262827650.db2.gz YUKGTPJIPCBJKA-VQIMIIECSA-N 1 3 329.488 2.812 10 30 EFEEHO C=C(C)CC[NH2+][C@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C(F)(F)F ZINC001486451742 1263147784 /nfs/dbraw/zinc/14/77/84/1263147784.db2.gz BIFLCAGVFAMXRM-GJZGRUSLSA-N 1 3 349.441 2.663 10 30 EFEEHO C=CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)N2CCCCC2)c(F)c1 ZINC001486524243 1263328411 /nfs/dbraw/zinc/32/84/11/1263328411.db2.gz VSXWXNDBQXHJMA-UHFFFAOYSA-N 1 3 347.478 2.982 10 30 EFEEHO C=C(Cl)CNC[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001411206863 1271946872 /nfs/dbraw/zinc/94/68/72/1271946872.db2.gz FVGSYWDKYALABJ-OAHLLOKOSA-N 1 3 341.927 2.735 10 30 EFEEHO N#Cc1cc(Cl)cc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000903460673 1312715533 /nfs/dbraw/zinc/71/55/33/1312715533.db2.gz HMTMAORTQPWLEO-JQHSSLGASA-N 1 3 333.863 2.930 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000876768534 1291012946 /nfs/dbraw/zinc/01/29/46/1291012946.db2.gz XBGSGMOZKQHTHV-IHETXDGRSA-N 1 3 349.906 2.729 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000876768534 1291012954 /nfs/dbraw/zinc/01/29/54/1291012954.db2.gz XBGSGMOZKQHTHV-IHETXDGRSA-N 1 3 349.906 2.729 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000876903151 1291065946 /nfs/dbraw/zinc/06/59/46/1291065946.db2.gz RKSXVVZEWDWDMZ-JQHSSLGASA-N 1 3 349.906 2.873 10 30 EFEEHO C=C(Cl)C[C@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000876903151 1291065948 /nfs/dbraw/zinc/06/59/48/1291065948.db2.gz RKSXVVZEWDWDMZ-JQHSSLGASA-N 1 3 349.906 2.873 10 30 EFEEHO C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001273599025 1292115795 /nfs/dbraw/zinc/11/57/95/1292115795.db2.gz MSFZZGJKDOSMTL-RTBURBONSA-N 1 3 335.536 2.855 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001273599025 1292115799 /nfs/dbraw/zinc/11/57/99/1292115799.db2.gz MSFZZGJKDOSMTL-RTBURBONSA-N 1 3 335.536 2.855 10 30 EFEEHO CC#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001273606542 1292296145 /nfs/dbraw/zinc/29/61/45/1292296145.db2.gz ADXFJFUQSRRONZ-VQTJNVASSA-N 1 3 347.547 2.835 10 30 EFEEHO C#CCC[NH2+][C@H]1CCCCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001489241367 1298151676 /nfs/dbraw/zinc/15/16/76/1298151676.db2.gz CGSCDNPWIZYGDJ-FQEVSTJZSA-N 1 3 341.499 2.746 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCCCC=C)C2)CC1 ZINC001490458394 1298935691 /nfs/dbraw/zinc/93/56/91/1298935691.db2.gz OTCDWCMFWXXIQU-HXUWFJFHSA-N 1 3 345.531 2.659 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCCCC=C)C2)CC1 ZINC001490458394 1298935698 /nfs/dbraw/zinc/93/56/98/1298935698.db2.gz OTCDWCMFWXXIQU-HXUWFJFHSA-N 1 3 345.531 2.659 10 30 EFEEHO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001490765083 1299212582 /nfs/dbraw/zinc/21/25/82/1299212582.db2.gz BYNGJJIAJDWBOT-ZWKOTPCHSA-N 1 3 335.536 2.996 10 30 EFEEHO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001490765083 1299212593 /nfs/dbraw/zinc/21/25/93/1299212593.db2.gz BYNGJJIAJDWBOT-ZWKOTPCHSA-N 1 3 335.536 2.996 10 30 EFEEHO C#CCN(C(=O)[C@H]1CCCN1C(C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001278151247 1313714300 /nfs/dbraw/zinc/71/43/00/1313714300.db2.gz LFDXAJRCORFGBA-HXUWFJFHSA-N 1 3 345.531 2.586 10 30 EFEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CC(CC)CC)CC1 ZINC001278200488 1313781477 /nfs/dbraw/zinc/78/14/77/1313781477.db2.gz KQBUILSXFGNYIA-UHFFFAOYSA-N 1 3 335.536 2.689 10 30 EFEEHO C#CCN(C(=O)CN1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCC2CC2)CC1 ZINC001278200575 1313781529 /nfs/dbraw/zinc/78/15/29/1313781529.db2.gz NJHZXXBCEVGZNB-ROUUACIJSA-N 1 3 345.531 2.586 10 30 EFEEHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(C#N)ccc2N(C)C)C[C@H](C)O1 ZINC000865472374 1303272265 /nfs/dbraw/zinc/27/22/65/1303272265.db2.gz ZSOLDCRBUCVAFX-CALCHBBNSA-N 1 3 344.503 2.603 10 30 EFEEHO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001276624615 1314117309 /nfs/dbraw/zinc/11/73/09/1314117309.db2.gz KYOKDQJONVPHEY-MSOLQXFVSA-N 1 3 335.536 2.900 10 30 EFEEHO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C(C)(C)C1 ZINC001276624615 1314117312 /nfs/dbraw/zinc/11/73/12/1314117312.db2.gz KYOKDQJONVPHEY-MSOLQXFVSA-N 1 3 335.536 2.900 10 30 EFEEHO C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000900404477 1308131335 /nfs/dbraw/zinc/13/13/35/1308131335.db2.gz HOJZWZPROLXYRT-LJQANCHMSA-N 1 3 329.488 2.665 10 30 EFEEHO C=CCC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@]1(C)CCCCO1 ZINC000902981608 1312258578 /nfs/dbraw/zinc/25/85/78/1312258578.db2.gz PSVOXDNPAQHPHO-QUCCMNQESA-N 1 3 337.552 2.896 10 30 EFEEHO CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001277474021 1312393383 /nfs/dbraw/zinc/39/33/83/1312393383.db2.gz MGOGSMAMDFNGJA-OAQYLSRUSA-N 1 3 347.547 2.836 10 30 EFEEHO CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001277474021 1312393387 /nfs/dbraw/zinc/39/33/87/1312393387.db2.gz MGOGSMAMDFNGJA-OAQYLSRUSA-N 1 3 347.547 2.836 10 30 EFEEHO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001252932747 1315535752 /nfs/dbraw/zinc/53/57/52/1315535752.db2.gz WJFHAKYNQWVEFB-KSZLIROESA-N 1 3 338.540 2.693 10 30 EFEEHO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001252932747 1315535757 /nfs/dbraw/zinc/53/57/57/1315535757.db2.gz WJFHAKYNQWVEFB-KSZLIROESA-N 1 3 338.540 2.693 10 30 EFEEHO C=CC[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001252932748 1315535916 /nfs/dbraw/zinc/53/59/16/1315535916.db2.gz WJFHAKYNQWVEFB-OKZBNKHCSA-N 1 3 338.540 2.693 10 30 EFEEHO C=CC[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001252932748 1315535920 /nfs/dbraw/zinc/53/59/20/1315535920.db2.gz WJFHAKYNQWVEFB-OKZBNKHCSA-N 1 3 338.540 2.693 10 30 EFEEHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C(F)(F)F ZINC001278703771 1315581862 /nfs/dbraw/zinc/58/18/62/1315581862.db2.gz MKHJUERRNBAVML-GJZGRUSLSA-N 1 3 349.441 2.519 10 30 EFEEHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001264496978 1316620789 /nfs/dbraw/zinc/62/07/89/1316620789.db2.gz IIFFXHOMWNETHJ-MOPGFXCFSA-N 1 3 347.547 2.833 10 30 EFEEHO CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001264496979 1316620794 /nfs/dbraw/zinc/62/07/94/1316620794.db2.gz IIFFXHOMWNETHJ-OALUTQOASA-N 1 3 347.547 2.833 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001264753780 1316668638 /nfs/dbraw/zinc/66/86/38/1316668638.db2.gz OBCVCAMUCSBMOO-ZWKOTPCHSA-N 1 3 335.536 2.901 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001264753780 1316668639 /nfs/dbraw/zinc/66/86/39/1316668639.db2.gz OBCVCAMUCSBMOO-ZWKOTPCHSA-N 1 3 335.536 2.901 10 30 EFEEHO C=C(C)CC[N@H+](CC)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001265134390 1316732274 /nfs/dbraw/zinc/73/22/74/1316732274.db2.gz SNIUYNCPEKWFPI-LJQANCHMSA-N 1 3 341.515 2.993 10 30 EFEEHO C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001265134390 1316732276 /nfs/dbraw/zinc/73/22/76/1316732276.db2.gz SNIUYNCPEKWFPI-LJQANCHMSA-N 1 3 341.515 2.993 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001265332453 1316784436 /nfs/dbraw/zinc/78/44/36/1316784436.db2.gz UWVSJPKPTFTCBV-KRWDZBQOSA-N 1 3 335.536 2.901 10 30 EFEEHO C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001265522637 1316818953 /nfs/dbraw/zinc/81/89/53/1316818953.db2.gz ACLNCSFKKXOKFB-QZTJIDSGSA-N 1 3 335.536 2.853 10 30 EFEEHO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001265522637 1316818954 /nfs/dbraw/zinc/81/89/54/1316818954.db2.gz ACLNCSFKKXOKFB-QZTJIDSGSA-N 1 3 335.536 2.853 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CC2CCC(C)CC2)CC1 ZINC001266191397 1317135724 /nfs/dbraw/zinc/13/57/24/1317135724.db2.gz BLUACYUNARGUJO-JLAWEPINSA-N 1 3 347.547 2.642 10 30 EFEEHO C=CCCCN1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001316599368 1317408983 /nfs/dbraw/zinc/40/89/83/1317408983.db2.gz BOAGSOPOVXIGIT-SFHVURJKSA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCCN(C)Cc1ccccc1CNC(=O)CC[NH+]1CCCCC1 ZINC001280339990 1317511447 /nfs/dbraw/zinc/51/14/47/1317511447.db2.gz DGEGRMVQYLEUMN-UHFFFAOYSA-N 1 3 341.499 2.634 10 30 EFEEHO C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001280889104 1317880799 /nfs/dbraw/zinc/88/07/99/1317880799.db2.gz JVWJASNBTZRLBS-MOPGFXCFSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CCC)C1 ZINC001280889104 1317880811 /nfs/dbraw/zinc/88/08/11/1317880811.db2.gz JVWJASNBTZRLBS-MOPGFXCFSA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CCN1Cc2ccc(CNC(=O)CC[N@@H+](C)CC)cc2C1 ZINC001281298370 1318154872 /nfs/dbraw/zinc/15/48/72/1318154872.db2.gz JZCLXCRLSSUUBN-UHFFFAOYSA-N 1 3 329.488 2.926 10 30 EFEEHO C=C(C)CCN1Cc2ccc(CNC(=O)CC[N@H+](C)CC)cc2C1 ZINC001281298370 1318154876 /nfs/dbraw/zinc/15/48/76/1318154876.db2.gz JZCLXCRLSSUUBN-UHFFFAOYSA-N 1 3 329.488 2.926 10 30 EFEEHO C=CCCC[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001281795796 1318586816 /nfs/dbraw/zinc/58/68/16/1318586816.db2.gz DIGLRIFMEBZEHC-IBGZPJMESA-N 1 3 347.547 2.999 10 30 EFEEHO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001281844709 1318602333 /nfs/dbraw/zinc/60/23/33/1318602333.db2.gz AWQLTCUIOJIUKM-IBGZPJMESA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001281844709 1318602342 /nfs/dbraw/zinc/60/23/42/1318602342.db2.gz AWQLTCUIOJIUKM-IBGZPJMESA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001282059425 1318692003 /nfs/dbraw/zinc/69/20/03/1318692003.db2.gz ZWMHZIQSBFCPCL-LADRWXRNSA-N 1 3 339.499 2.650 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]CCC(=C)C)CCCCC2)CC1 ZINC001282627772 1319037664 /nfs/dbraw/zinc/03/76/64/1319037664.db2.gz XGBPTRFGFSQFQM-UHFFFAOYSA-N 1 3 345.531 2.707 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001282972377 1319229523 /nfs/dbraw/zinc/22/95/23/1319229523.db2.gz IAMVMNLRCLPOLV-QZTJIDSGSA-N 1 3 335.536 2.852 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001282972377 1319229533 /nfs/dbraw/zinc/22/95/33/1319229533.db2.gz IAMVMNLRCLPOLV-QZTJIDSGSA-N 1 3 335.536 2.852 10 30 EFEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]CC2CCCCCC2)CC1 ZINC001319284326 1328831506 /nfs/dbraw/zinc/83/15/06/1328831506.db2.gz GHYVYSIGSAMKIV-GOSISDBHSA-N 1 3 347.547 2.644 10 30 EFEEHO C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001284699622 1320481677 /nfs/dbraw/zinc/48/16/77/1320481677.db2.gz IJUQXBBHSNYRMT-DNVCBOLYSA-N 1 3 339.499 2.602 10 30 EFEEHO C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001322243880 1329440706 /nfs/dbraw/zinc/44/07/06/1329440706.db2.gz JEHNOCPFRAPBHV-MAUKXSAKSA-N 1 3 327.488 2.602 10 30 EFEEHO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001322243880 1329440708 /nfs/dbraw/zinc/44/07/08/1329440708.db2.gz JEHNOCPFRAPBHV-MAUKXSAKSA-N 1 3 327.488 2.602 10 30 EFEEHO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001316660697 1323022061 /nfs/dbraw/zinc/02/20/61/1323022061.db2.gz VBIAIQKSYXRKCG-FRQCXROJSA-N 1 3 339.499 2.650 10 30 EFEEHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C ZINC001492112582 1324216659 /nfs/dbraw/zinc/21/66/59/1324216659.db2.gz DIOKTFAUMCZSNA-QAPCUYQASA-N 1 3 349.906 2.516 10 30 EFEEHO C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001492085201 1324245509 /nfs/dbraw/zinc/24/55/09/1324245509.db2.gz MNBMXEBJTORPBZ-CRAIPNDOSA-N 1 3 327.488 2.650 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CCC2CCCCCC2)CC1 ZINC001317471796 1324771375 /nfs/dbraw/zinc/77/13/75/1324771375.db2.gz PLJVXNBQIXMXKY-UHFFFAOYSA-N 1 3 347.547 2.740 10 30 EFEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CCC2CCCCCC2)CC1 ZINC001317471796 1324771386 /nfs/dbraw/zinc/77/13/86/1324771386.db2.gz PLJVXNBQIXMXKY-UHFFFAOYSA-N 1 3 347.547 2.740 10 30 EFEEHO C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001316775209 1325129161 /nfs/dbraw/zinc/12/91/61/1325129161.db2.gz YMXNOPUETYCANL-RBUKOAKNSA-N 1 3 333.520 2.633 10 30 EFEEHO C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001316806353 1325156967 /nfs/dbraw/zinc/15/69/67/1325156967.db2.gz GWBZHSZXOLDANB-IBGZPJMESA-N 1 3 335.536 2.997 10 30 EFEEHO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001316806353 1325156971 /nfs/dbraw/zinc/15/69/71/1325156971.db2.gz GWBZHSZXOLDANB-IBGZPJMESA-N 1 3 335.536 2.997 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCCCCC)C2)CC1 ZINC001316950905 1325410189 /nfs/dbraw/zinc/41/01/89/1325410189.db2.gz FFLVEBMAJXGFMG-FQEVSTJZSA-N 1 3 347.547 2.883 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCCCCC)C2)CC1 ZINC001316950905 1325410196 /nfs/dbraw/zinc/41/01/96/1325410196.db2.gz FFLVEBMAJXGFMG-FQEVSTJZSA-N 1 3 347.547 2.883 10 30 EFEEHO C#CCN1CCC(C(=O)N(CCC)C2CC[NH+](CC(=C)C)CC2)CC1 ZINC001317004837 1325474986 /nfs/dbraw/zinc/47/49/86/1325474986.db2.gz DHSWOBSGFLXISZ-UHFFFAOYSA-N 1 3 345.531 2.611 10 30 EFEEHO C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001317208791 1327745607 /nfs/dbraw/zinc/74/56/07/1327745607.db2.gz NRXJRARBAWKXHH-WOJBJXKFSA-N 1 3 345.531 2.731 10 30 EFEEHO C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001317208788 1327746094 /nfs/dbraw/zinc/74/60/94/1327746094.db2.gz NRXJRARBAWKXHH-UXHICEINSA-N 1 3 345.531 2.731 10 30 EFEEHO C#CC[NH2+][C@@H](CNC(=O)[C@H](c1ccccc1)N(C)CC)c1ccccc1 ZINC001317727778 1328338111 /nfs/dbraw/zinc/33/81/11/1328338111.db2.gz XQOUJKQVBTVMEC-SFTDATJTSA-N 1 3 349.478 2.760 10 30 EFEEHO C=CCCC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001323836150 1329576791 /nfs/dbraw/zinc/57/67/91/1329576791.db2.gz PGKUTXPIVOODGZ-UHFFFAOYSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001323858645 1329579642 /nfs/dbraw/zinc/57/96/42/1329579642.db2.gz QHBRFCPSKUWEGO-HKUYNNGSSA-N 1 3 333.520 2.750 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001323858645 1329579644 /nfs/dbraw/zinc/57/96/44/1329579644.db2.gz QHBRFCPSKUWEGO-HKUYNNGSSA-N 1 3 333.520 2.750 10 30 EFEEHO CC#CCN1CC[C@@]2(CCN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001323872468 1329581785 /nfs/dbraw/zinc/58/17/85/1329581785.db2.gz JQACYVXSAFNBJV-OAQYLSRUSA-N 1 3 347.547 2.836 10 30 EFEEHO C#CCN1CCC(C(=O)NC2(C)CC[NH+]([C@@H](C)CCC=C)CC2)CC1 ZINC001324343077 1329618356 /nfs/dbraw/zinc/61/83/56/1329618356.db2.gz OQHTZSPOFSUTSB-SFHVURJKSA-N 1 3 345.531 2.657 10 30 EFEEHO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)C2 ZINC001325642483 1329703342 /nfs/dbraw/zinc/70/33/42/1329703342.db2.gz GOHARMPKCGJMCH-IEWDOMPSSA-N 1 3 333.520 2.795 10 30 EFEEHO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)C2 ZINC001325642483 1329703343 /nfs/dbraw/zinc/70/33/43/1329703343.db2.gz GOHARMPKCGJMCH-IEWDOMPSSA-N 1 3 333.520 2.795 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001326378697 1329751608 /nfs/dbraw/zinc/75/16/08/1329751608.db2.gz AAYUXTRDKLWMAJ-SJORKVTESA-N 1 3 341.927 2.832 10 30 EFEEHO C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001326482518 1329759985 /nfs/dbraw/zinc/75/99/85/1329759985.db2.gz XJYSZCZMVWQUDU-SJORKVTESA-N 1 3 329.488 2.871 10 30 EFEEHO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CCCCCC)C2 ZINC001327528869 1330495536 /nfs/dbraw/zinc/49/55/36/1330495536.db2.gz CZWYYCLWJAGPDW-FQEVSTJZSA-N 1 3 335.536 2.999 10 30 EFEEHO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CCCCCC)C2 ZINC001327528869 1330495537 /nfs/dbraw/zinc/49/55/37/1330495537.db2.gz CZWYYCLWJAGPDW-FQEVSTJZSA-N 1 3 335.536 2.999 10 30 EFEEHO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001328795724 1330633310 /nfs/dbraw/zinc/63/33/10/1330633310.db2.gz DFZMBVBSUNZVNL-LJQANCHMSA-N 1 3 329.488 2.861 10 30 EFEEHO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001328795724 1330633314 /nfs/dbraw/zinc/63/33/14/1330633314.db2.gz DFZMBVBSUNZVNL-LJQANCHMSA-N 1 3 329.488 2.861 10 30 EFEEHO C=CCC[NH2+][C@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC001332424725 1330970396 /nfs/dbraw/zinc/97/03/96/1330970396.db2.gz UYPALISRTKFPPB-KXBFYZLASA-N 1 3 339.499 2.602 10 30 EFEEHO C=CCC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C ZINC001332453969 1330973549 /nfs/dbraw/zinc/97/35/49/1330973549.db2.gz RENUPVPCKAWWEK-SFHVURJKSA-N 1 3 329.488 2.765 10 30 EFEEHO C=CCCC[C@H](N)C(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC001341462259 1332260789 /nfs/dbraw/zinc/26/07/89/1332260789.db2.gz AGJRWMBVBVSGTM-ZIFCJYIRSA-N 1 3 327.472 2.813 10 30 EFEEHO C=CCCC[C@H](N)C(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC001341462259 1332260792 /nfs/dbraw/zinc/26/07/92/1332260792.db2.gz AGJRWMBVBVSGTM-ZIFCJYIRSA-N 1 3 327.472 2.813 10 30 EFEEHO C=CCCC[C@H]([NH3+])C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC001341462259 1332260795 /nfs/dbraw/zinc/26/07/95/1332260795.db2.gz AGJRWMBVBVSGTM-ZIFCJYIRSA-N 1 3 327.472 2.813 10 30 EFEEHO C=CCCC[C@@H](N)C(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC001341462257 1332260969 /nfs/dbraw/zinc/26/09/69/1332260969.db2.gz AGJRWMBVBVSGTM-ZHALLVOQSA-N 1 3 327.472 2.813 10 30 EFEEHO C=CCCC[C@@H](N)C(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC001341462257 1332260971 /nfs/dbraw/zinc/26/09/71/1332260971.db2.gz AGJRWMBVBVSGTM-ZHALLVOQSA-N 1 3 327.472 2.813 10 30 EFEEHO C=CCCC[C@@H]([NH3+])C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC001341462257 1332260973 /nfs/dbraw/zinc/26/09/73/1332260973.db2.gz AGJRWMBVBVSGTM-ZHALLVOQSA-N 1 3 327.472 2.813 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001367161375 1338460551 /nfs/dbraw/zinc/46/05/51/1338460551.db2.gz QHKHTVYVYVTPNY-CVEARBPZSA-N 1 3 341.927 2.878 10 30 EFEEHO C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001377846036 1344502138 /nfs/dbraw/zinc/50/21/38/1344502138.db2.gz ADYDWNDIEJPEPK-CVEARBPZSA-N 1 3 344.503 2.519 10 30 EFEEHO C=C(Cl)CNCC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001378368390 1345017062 /nfs/dbraw/zinc/01/70/62/1345017062.db2.gz FSVQVPBVBJSJRQ-GJZGRUSLSA-N 1 3 327.900 2.630 10 30 EFEEHO C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CN(C)C(C)C)CCCC[C@H]1C ZINC001391812052 1355555398 /nfs/dbraw/zinc/55/53/98/1355555398.db2.gz QNMRYDIXLAOHHR-PBHICJAKSA-N 1 3 329.916 2.734 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCC1 ZINC001401179672 1362514472 /nfs/dbraw/zinc/51/44/72/1362514472.db2.gz JGUCPQQOHZNAHC-OAHLLOKOSA-N 1 3 327.900 2.632 10 30 EFEEHO C=C(Cl)CNC1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001401179672 1362514481 /nfs/dbraw/zinc/51/44/81/1362514481.db2.gz JGUCPQQOHZNAHC-OAHLLOKOSA-N 1 3 327.900 2.632 10 30 EFEEHO C=C(Cl)CN[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001406087315 1367206005 /nfs/dbraw/zinc/20/60/05/1367206005.db2.gz WAICTXDUUIWMMB-JKSUJKDBSA-N 1 3 329.916 2.590 10 30 EFEEHO C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001420748635 1377594441 /nfs/dbraw/zinc/59/44/41/1377594441.db2.gz VMOWLNMUTJMZEF-HOCLYGCPSA-N 1 3 347.906 2.636 10 30 EFEEHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001424877796 1383454747 /nfs/dbraw/zinc/45/47/47/1383454747.db2.gz NMUNWAMPWSRBKL-HNNXBMFYSA-N 1 3 329.916 2.688 10 30 EFEEHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001424877796 1383454750 /nfs/dbraw/zinc/45/47/50/1383454750.db2.gz NMUNWAMPWSRBKL-HNNXBMFYSA-N 1 3 329.916 2.688 10 30 EFEEHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001506819566 1406297159 /nfs/dbraw/zinc/29/71/59/1406297159.db2.gz IIOZQFJYXVWHQW-MKXGPGLRSA-N 1 3 333.520 2.511 10 30 EFEEHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001506819566 1406297165 /nfs/dbraw/zinc/29/71/65/1406297165.db2.gz IIOZQFJYXVWHQW-MKXGPGLRSA-N 1 3 333.520 2.511 10 30 EFEEHO C=CCC[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001460888036 1396266846 /nfs/dbraw/zinc/26/68/46/1396266846.db2.gz YFWAHXXOIHUYOH-RTBURBONSA-N 1 3 329.488 2.836 10 30 EFEEHO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001460888036 1396266849 /nfs/dbraw/zinc/26/68/49/1396266849.db2.gz YFWAHXXOIHUYOH-RTBURBONSA-N 1 3 329.488 2.836 10 30 EFEEHO C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001479501150 1397738691 /nfs/dbraw/zinc/73/86/91/1397738691.db2.gz JSVICMUAOQMMPZ-MRXNPFEDSA-N 1 3 330.476 2.621 10 30 EFEEHO C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001480367304 1398181194 /nfs/dbraw/zinc/18/11/94/1398181194.db2.gz JGFMISBOTMZFTP-IBGZPJMESA-N 1 3 329.488 2.909 10 30 EFEEHO C#CCCN1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001507375288 1406974688 /nfs/dbraw/zinc/97/46/88/1406974688.db2.gz LXWHDRSVLVUSBT-AEFFLSMTSA-N 1 3 333.520 2.632 10 30 EFEEHO C#CCCN1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001507375288 1406974695 /nfs/dbraw/zinc/97/46/95/1406974695.db2.gz LXWHDRSVLVUSBT-AEFFLSMTSA-N 1 3 333.520 2.632 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCCCC)[C@@H]2C)CC1 ZINC001507388835 1407000900 /nfs/dbraw/zinc/00/09/00/1407000900.db2.gz VDGHMCVPSXRXPD-QUCCMNQESA-N 1 3 347.547 2.881 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCCCC)[C@@H]2C)CC1 ZINC001507388835 1407000906 /nfs/dbraw/zinc/00/09/06/1407000906.db2.gz VDGHMCVPSXRXPD-QUCCMNQESA-N 1 3 347.547 2.881 10 30 EFEEHO C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001494792186 1399469846 /nfs/dbraw/zinc/46/98/46/1399469846.db2.gz RQXIKCQGNDPSEQ-QFBILLFUSA-N 1 3 329.488 2.907 10 30 EFEEHO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001494792186 1399469852 /nfs/dbraw/zinc/46/98/52/1399469852.db2.gz RQXIKCQGNDPSEQ-QFBILLFUSA-N 1 3 329.488 2.907 10 30 EFEEHO CC[C@@H](CNC(=O)CCC[NH+](C)C)NCC#Cc1cccc(Cl)c1 ZINC001495050343 1399627459 /nfs/dbraw/zinc/62/74/59/1399627459.db2.gz LZTIOOZRMNCOAW-SFHVURJKSA-N 1 3 349.906 2.518 10 30 EFEEHO C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001495742928 1400217564 /nfs/dbraw/zinc/21/75/64/1400217564.db2.gz LDJNZCXWGQMJOG-MAUKXSAKSA-N 1 3 327.488 2.507 10 30 EFEEHO C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001495742927 1400217732 /nfs/dbraw/zinc/21/77/32/1400217732.db2.gz LDJNZCXWGQMJOG-CRAIPNDOSA-N 1 3 327.488 2.507 10 30 EFEEHO C#CC[NH2+]C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1CCCCC1 ZINC001496324261 1400641349 /nfs/dbraw/zinc/64/13/49/1400641349.db2.gz DMOKEEXYYAROQK-FQEVSTJZSA-N 1 3 341.499 2.650 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001496573189 1400837846 /nfs/dbraw/zinc/83/78/46/1400837846.db2.gz AXUVILDSQXEHEB-CVEARBPZSA-N 1 3 329.916 2.590 10 30 EFEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001496573189 1400837843 /nfs/dbraw/zinc/83/78/43/1400837843.db2.gz AXUVILDSQXEHEB-CVEARBPZSA-N 1 3 329.916 2.590 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001499570766 1402690204 /nfs/dbraw/zinc/69/02/04/1402690204.db2.gz UXCYTYCTKFKWTO-FQEVSTJZSA-N 1 3 333.520 2.751 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001499570766 1402690209 /nfs/dbraw/zinc/69/02/09/1402690209.db2.gz UXCYTYCTKFKWTO-FQEVSTJZSA-N 1 3 333.520 2.751 10 30 EFEEHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001499573186 1402692497 /nfs/dbraw/zinc/69/24/97/1402692497.db2.gz BADTXINQBSPDPR-HXUWFJFHSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001499573186 1402692500 /nfs/dbraw/zinc/69/25/00/1402692500.db2.gz BADTXINQBSPDPR-HXUWFJFHSA-N 1 3 335.536 2.855 10 30 EFEEHO CC#CCN1CCC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001499576585 1402695022 /nfs/dbraw/zinc/69/50/22/1402695022.db2.gz LRFXKFYRXSAIIZ-OAQYLSRUSA-N 1 3 345.531 2.590 10 30 EFEEHO C#CCN(C(=O)CN1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCCC)CC1 ZINC001500057543 1402916712 /nfs/dbraw/zinc/91/67/12/1402916712.db2.gz IWSRDARPQMHADA-ROUUACIJSA-N 1 3 333.520 2.586 10 30 EFEEHO C=CCN1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001500512514 1403184962 /nfs/dbraw/zinc/18/49/62/1403184962.db2.gz ZGFSSGLDBPKPPO-IBGZPJMESA-N 1 3 335.536 2.903 10 30 EFEEHO C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001501188151 1403483016 /nfs/dbraw/zinc/48/30/16/1403483016.db2.gz CDDVFMUODQEVAP-VAMGGRTRSA-N 1 3 347.547 2.786 10 30 EFEEHO C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001502545672 1404235428 /nfs/dbraw/zinc/23/54/28/1404235428.db2.gz FKBFJCWRGOYSNW-QUCCMNQESA-N 1 3 333.520 2.609 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001502545672 1404235434 /nfs/dbraw/zinc/23/54/34/1404235434.db2.gz FKBFJCWRGOYSNW-QUCCMNQESA-N 1 3 333.520 2.609 10 30 EFEEHO C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001565973178 1415467261 /nfs/dbraw/zinc/46/72/61/1415467261.db2.gz UMHZFTLWPJXPJL-GJYPPUQNSA-N 1 3 339.499 2.602 10 30 EFEEHO C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001565986740 1415470695 /nfs/dbraw/zinc/47/06/95/1415470695.db2.gz MGLRCCARYZMDQN-RTBURBONSA-N 1 3 349.563 2.985 10 30 EFEEHO C#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)CCCCCC ZINC001565995009 1415475209 /nfs/dbraw/zinc/47/52/09/1415475209.db2.gz NCWHZJPRKJLUBD-YZGWKJHDSA-N 1 3 347.547 2.737 10 30 EFEEHO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)CCCCCC ZINC001565995009 1415475210 /nfs/dbraw/zinc/47/52/10/1415475210.db2.gz NCWHZJPRKJLUBD-YZGWKJHDSA-N 1 3 347.547 2.737 10 30 EFEEHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@@H]2C1 ZINC001566054480 1415494767 /nfs/dbraw/zinc/49/47/67/1415494767.db2.gz CAVUCETYRRGUBB-CEXWTWQISA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@@H]2C1 ZINC001566054480 1415494770 /nfs/dbraw/zinc/49/47/70/1415494770.db2.gz CAVUCETYRRGUBB-CEXWTWQISA-N 1 3 333.520 2.607 10 30 EFEEHO C=CCN1CCC(N(CCC)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001566697704 1415737667 /nfs/dbraw/zinc/73/76/67/1415737667.db2.gz KJIGNROENZKFKL-PKOBYXMFSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCN1CCC(N(CCC)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001566697704 1415737669 /nfs/dbraw/zinc/73/76/69/1415737669.db2.gz KJIGNROENZKFKL-PKOBYXMFSA-N 1 3 333.520 2.892 10 30 EFEEHO C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566878474 1415819494 /nfs/dbraw/zinc/81/94/94/1415819494.db2.gz QVPHKXQLYKVDFC-LPHOPBHVSA-N 1 3 339.499 2.603 10 30 EFEEHO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566878474 1415819495 /nfs/dbraw/zinc/81/94/95/1415819495.db2.gz QVPHKXQLYKVDFC-LPHOPBHVSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(Cl)CNCCc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001567183699 1415976831 /nfs/dbraw/zinc/97/68/31/1415976831.db2.gz MCSSRRLYMJWOQI-UHFFFAOYSA-N 1 3 349.906 2.529 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001567386213 1416107138 /nfs/dbraw/zinc/10/71/38/1416107138.db2.gz CNZRBLGTMJXOFP-LJQANCHMSA-N 1 3 329.488 2.909 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001567386213 1416107142 /nfs/dbraw/zinc/10/71/42/1416107142.db2.gz CNZRBLGTMJXOFP-LJQANCHMSA-N 1 3 329.488 2.909 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001567664440 1416237011 /nfs/dbraw/zinc/23/70/11/1416237011.db2.gz XRRSCETZBFKTGX-YTQUADARSA-N 1 3 329.488 2.740 10 30 EFEEHO C=C(C)CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001567664440 1416237013 /nfs/dbraw/zinc/23/70/13/1416237013.db2.gz XRRSCETZBFKTGX-YTQUADARSA-N 1 3 329.488 2.740 10 30 EFEEHO C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001568067765 1416391285 /nfs/dbraw/zinc/39/12/85/1416391285.db2.gz ILBFEOJJIRYZHB-VQIMIIECSA-N 1 3 339.499 2.603 10 30 EFEEHO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001568300233 1416469951 /nfs/dbraw/zinc/46/99/51/1416469951.db2.gz NCXNWWZSLLLCCC-MAUKXSAKSA-N 1 3 327.488 2.602 10 30 EFEEHO C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001568336218 1416481040 /nfs/dbraw/zinc/48/10/40/1416481040.db2.gz OTVDRLTXISTCJQ-QFBILLFUSA-N 1 3 341.515 2.896 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)CC(C)C)CC1 ZINC001568339641 1416482267 /nfs/dbraw/zinc/48/22/67/1416482267.db2.gz YKKWORBXHHLDAN-LJQANCHMSA-N 1 3 349.563 2.888 10 30 EFEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC(C)C)C2CCCCC2)CC1 ZINC001568349556 1416486635 /nfs/dbraw/zinc/48/66/35/1416486635.db2.gz YRHQZZRJAFFUIQ-HXUWFJFHSA-N 1 3 347.547 2.642 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](CC)CC2=CCCCC2)CC1 ZINC001689970505 1417112670 /nfs/dbraw/zinc/11/26/70/1417112670.db2.gz RHZYHXIQWBOGHO-UHFFFAOYSA-N 1 3 345.531 2.660 10 30 EFEEHO C#CCN1CCC(C(=O)NCCC[N@H+](CC)CC2=CCCCC2)CC1 ZINC001689970505 1417112675 /nfs/dbraw/zinc/11/26/75/1417112675.db2.gz RHZYHXIQWBOGHO-UHFFFAOYSA-N 1 3 345.531 2.660 10 30 EFEEHO C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001698940548 1417351261 /nfs/dbraw/zinc/35/12/61/1417351261.db2.gz UGNCOFSXZLOHLR-APWZRJJASA-N 1 3 329.488 2.765 10 30 EFEEHO C#CCN(C(=O)CN(C)CCC)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001699786843 1417469153 /nfs/dbraw/zinc/46/91/53/1417469153.db2.gz GANLFUZNZSPUTQ-UHFFFAOYSA-N 1 3 347.547 2.691 10 30 EFEEHO C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001699864560 1417484078 /nfs/dbraw/zinc/48/40/78/1417484078.db2.gz ZDMDOUDKBQVFGL-HNNXBMFYSA-N 1 3 332.492 2.834 10 30 EFEEHO C=CC[NH+]1CCC(C)(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001699864394 1417484265 /nfs/dbraw/zinc/48/42/65/1417484265.db2.gz TYPWFWWEEQMHCJ-UHFFFAOYSA-N 1 3 329.488 2.766 10 30 EFEEHO CC#CCN1C[C@@H]2CCCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001700020541 1417541905 /nfs/dbraw/zinc/54/19/05/1417541905.db2.gz ZBHHALIDHPNFDH-VQTJNVASSA-N 1 3 347.547 2.835 10 30 EFEEHO C#CC[NH2+][C@H](C)c1ccc(CNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC001700099467 1417569446 /nfs/dbraw/zinc/56/94/46/1417569446.db2.gz NTOKPJFMRWZETJ-QGZVFWFLSA-N 1 3 349.478 2.962 10 30 EFEEHO C=CCN1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001700863993 1417666558 /nfs/dbraw/zinc/66/65/58/1417666558.db2.gz CLIQXYDLGVZGSZ-PXNSSMCTSA-N 1 3 333.520 2.798 10 30 EFEEHO C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)[C@@H]21 ZINC001707189545 1418228571 /nfs/dbraw/zinc/22/85/71/1418228571.db2.gz ULFHWNTVFQTSSW-BHIYHBOVSA-N 1 3 335.536 2.898 10 30 EFEEHO C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)[C@@H]21 ZINC001707189545 1418228578 /nfs/dbraw/zinc/22/85/78/1418228578.db2.gz ULFHWNTVFQTSSW-BHIYHBOVSA-N 1 3 335.536 2.898 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001716703826 1418962341 /nfs/dbraw/zinc/96/23/41/1418962341.db2.gz HVEIPPCGNQCSAQ-IBGZPJMESA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001716703826 1418962345 /nfs/dbraw/zinc/96/23/45/1418962345.db2.gz HVEIPPCGNQCSAQ-IBGZPJMESA-N 1 3 335.536 2.855 10 30 EFEEHO CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001716706539 1418965835 /nfs/dbraw/zinc/96/58/35/1418965835.db2.gz QUMOAPIKABLVGG-RTBURBONSA-N 1 3 347.547 2.691 10 30 EFEEHO CC#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001716706539 1418965839 /nfs/dbraw/zinc/96/58/39/1418965839.db2.gz QUMOAPIKABLVGG-RTBURBONSA-N 1 3 347.547 2.691 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001716734593 1418983637 /nfs/dbraw/zinc/98/36/37/1418983637.db2.gz CGTNRIUQYQSQFP-TZIWHRDSSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001716734593 1418983640 /nfs/dbraw/zinc/98/36/40/1418983640.db2.gz CGTNRIUQYQSQFP-TZIWHRDSSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001716734592 1418983722 /nfs/dbraw/zinc/98/37/22/1418983722.db2.gz CGTNRIUQYQSQFP-PZJWPPBQSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001716734592 1418983726 /nfs/dbraw/zinc/98/37/26/1418983726.db2.gz CGTNRIUQYQSQFP-PZJWPPBQSA-N 1 3 347.547 2.999 10 30 EFEEHO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001716735413 1418984281 /nfs/dbraw/zinc/98/42/81/1418984281.db2.gz POJWRVGJLMVKJO-FQEVSTJZSA-N 1 3 335.536 2.855 10 30 EFEEHO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001716735413 1418984283 /nfs/dbraw/zinc/98/42/83/1418984283.db2.gz POJWRVGJLMVKJO-FQEVSTJZSA-N 1 3 335.536 2.855 10 30 EFEEHO CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001717036510 1419168910 /nfs/dbraw/zinc/16/89/10/1419168910.db2.gz URKWCMLTFACUSO-WOJBJXKFSA-N 1 3 345.531 2.730 10 30 EFEEHO CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001717036510 1419168911 /nfs/dbraw/zinc/16/89/11/1419168911.db2.gz URKWCMLTFACUSO-WOJBJXKFSA-N 1 3 345.531 2.730 10 30 EFEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001717110937 1419216123 /nfs/dbraw/zinc/21/61/23/1419216123.db2.gz KIAKVMNENHQISK-IRXDYDNUSA-N 1 3 341.927 2.688 10 30 EFEEHO CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001717115172 1419219204 /nfs/dbraw/zinc/21/92/04/1419219204.db2.gz KBNZQPMJEJPUDQ-QGZVFWFLSA-N 1 3 343.515 2.955 10 30 EFEEHO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001717122376 1419224319 /nfs/dbraw/zinc/22/43/19/1419224319.db2.gz BZZVIZIAGLSMPO-GUDVDZBRSA-N 1 3 333.520 2.539 10 30 EFEEHO C=CCCC[N@H+]1Cc2ccc(CNC(=O)CN3CC[C@H](C)C3)cc2C1 ZINC001717271113 1419300173 /nfs/dbraw/zinc/30/01/73/1419300173.db2.gz XRHKBELNJOESRW-KRWDZBQOSA-N 1 3 341.499 2.926 10 30 EFEEHO C=CCCC[N@@H+]1Cc2ccc(CNC(=O)CN3CC[C@H](C)C3)cc2C1 ZINC001717271113 1419300177 /nfs/dbraw/zinc/30/01/77/1419300177.db2.gz XRHKBELNJOESRW-KRWDZBQOSA-N 1 3 341.499 2.926 10 30 EFEEHO C=CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001717376916 1419368631 /nfs/dbraw/zinc/36/86/31/1419368631.db2.gz ARHRDCYHPJZKAE-HXUWFJFHSA-N 1 3 347.547 2.999 10 30 EFEEHO C=CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001717376916 1419368635 /nfs/dbraw/zinc/36/86/35/1419368635.db2.gz ARHRDCYHPJZKAE-HXUWFJFHSA-N 1 3 347.547 2.999 10 30 EFEEHO C=C(Cl)CNCCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001717690909 1419508188 /nfs/dbraw/zinc/50/81/88/1419508188.db2.gz RMGFOSBJSIUVSL-HNNXBMFYSA-N 1 3 329.916 2.734 10 30 EFEEHO CC#CCNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717734393 1419530245 /nfs/dbraw/zinc/53/02/45/1419530245.db2.gz CRKUSINXNVOOPM-VQTJNVASSA-N 1 3 345.531 2.633 10 30 EFEEHO CC#CCNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001717734393 1419530246 /nfs/dbraw/zinc/53/02/46/1419530246.db2.gz CRKUSINXNVOOPM-VQTJNVASSA-N 1 3 345.531 2.633 10 30 EFEEHO C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]21 ZINC001717848881 1419577161 /nfs/dbraw/zinc/57/71/61/1419577161.db2.gz KNCNIAYYBKWTNH-GUDVDZBRSA-N 1 3 333.520 2.511 10 30 EFEEHO C=C(Cl)CNC1CC(N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001718000681 1419650486 /nfs/dbraw/zinc/65/04/86/1419650486.db2.gz QHHMNDRCLPZNJK-UHFFFAOYSA-N 1 3 327.900 2.584 10 30 EFEEHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001724058115 1424639342 /nfs/dbraw/zinc/63/93/42/1424639342.db2.gz HOIXOQKEBQMCIL-QGZVFWFLSA-N 1 3 344.503 2.561 10 30 EFEEHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001724325622 1424736333 /nfs/dbraw/zinc/73/63/33/1424736333.db2.gz ZTXMSBNUPAAQKD-FPOVZHCZSA-N 1 3 345.531 2.635 10 30 EFEEHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001724325622 1424736339 /nfs/dbraw/zinc/73/63/39/1424736339.db2.gz ZTXMSBNUPAAQKD-FPOVZHCZSA-N 1 3 345.531 2.635 10 30 EFEEHO CC#CCN1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001724837821 1425052175 /nfs/dbraw/zinc/05/21/75/1425052175.db2.gz RQBRFNSBRTTYQI-SFHVURJKSA-N 1 3 333.520 2.635 10 30 EFEEHO CC#CCN1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001724837821 1425052179 /nfs/dbraw/zinc/05/21/79/1425052179.db2.gz RQBRFNSBRTTYQI-SFHVURJKSA-N 1 3 333.520 2.635 10 30 EFEEHO C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001724854727 1425072494 /nfs/dbraw/zinc/07/24/94/1425072494.db2.gz CYACLKCHFBESLJ-LJQANCHMSA-N 1 3 341.515 2.945 10 30 EFEEHO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001724854727 1425072500 /nfs/dbraw/zinc/07/25/00/1425072500.db2.gz CYACLKCHFBESLJ-LJQANCHMSA-N 1 3 341.515 2.945 10 30 EFEEHO C=CCCCN1Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2C1 ZINC001724924076 1425137499 /nfs/dbraw/zinc/13/74/99/1425137499.db2.gz SXIGKRPFNIMBSH-UHFFFAOYSA-N 1 3 339.483 2.680 10 30 EFEEHO C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC001724997968 1425209219 /nfs/dbraw/zinc/20/92/19/1425209219.db2.gz BLDACGAKVDQZBL-RDJZCZTQSA-N 1 3 332.492 2.976 10 30 EFEEHO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C[C@@H]1C ZINC001724997968 1425209225 /nfs/dbraw/zinc/20/92/25/1425209225.db2.gz BLDACGAKVDQZBL-RDJZCZTQSA-N 1 3 332.492 2.976 10 30 EFEEHO C=CCC[C@@H](C)[N@@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001725290018 1425444156 /nfs/dbraw/zinc/44/41/56/1425444156.db2.gz NVJHZARBYNAXHP-SJORKVTESA-N 1 3 333.520 2.796 10 30 EFEEHO C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC001725290018 1425444160 /nfs/dbraw/zinc/44/41/60/1425444160.db2.gz NVJHZARBYNAXHP-SJORKVTESA-N 1 3 333.520 2.796 10 30 EFEEHO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001725337289 1425481982 /nfs/dbraw/zinc/48/19/82/1425481982.db2.gz OWJZBTNKRBLEIB-RCCFBDPRSA-N 1 3 335.536 2.757 10 30 EFEEHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]2C1 ZINC001725337289 1425481985 /nfs/dbraw/zinc/48/19/85/1425481985.db2.gz OWJZBTNKRBLEIB-RCCFBDPRSA-N 1 3 335.536 2.757 10 30 EFEEHO CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001725427235 1425574171 /nfs/dbraw/zinc/57/41/71/1425574171.db2.gz KRZSVFXIDZEWRM-UHFFFAOYSA-N 1 3 341.499 2.503 10 30 EFEEHO C=CCCCN(CC)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000890812290 713498377 /nfs/dbraw/zinc/49/83/77/713498377.db2.gz IXUJJCCUECRICF-UHFFFAOYSA-N 1 3 335.536 2.997 10 30 EFEEHO C=CCN1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941157300 727874400 /nfs/dbraw/zinc/87/44/00/727874400.db2.gz AOUPPOQLADTLOK-GOSISDBHSA-N 1 3 333.520 2.511 10 30 EFEEHO C=CCN1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000941027513 728373667 /nfs/dbraw/zinc/37/36/67/728373667.db2.gz HBNHVCGJGCLLPM-LJQANCHMSA-N 1 3 343.515 2.807 10 30 EFEEHO C=CCN1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092143 728399230 /nfs/dbraw/zinc/39/92/30/728399230.db2.gz CCEPHZJHKOORQD-GOSISDBHSA-N 1 3 329.488 2.765 10 30 EFEEHO