smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1[nH+]c(C)ccc1OCC(=O)N1CCC(c2ccnc(N)n2)CC1 ZINC000217903869 522239825 /nfs/dbraw/zinc/23/98/25/522239825.db2.gz LEQLJLCDKPRXAU-UHFFFAOYSA-N 1 2 355.442 2.110 50 70 FEIALO CCc1[nH+]c(C)ccc1OCC(=O)N1CCOc2ccc(CO)cc2C1 ZINC000217904917 522240831 /nfs/dbraw/zinc/24/08/31/522240831.db2.gz FHSQJQORIOZSAY-UHFFFAOYSA-N 1 2 356.422 2.245 50 70 FEIALO CCc1[nH+]c(C)ccc1OCC(=O)NCCc1noc(C(F)(F)F)n1 ZINC000217134821 548680156 /nfs/dbraw/zinc/68/01/56/548680156.db2.gz PSIJSSJRTWLXHB-UHFFFAOYSA-N 1 2 358.320 2.092 50 70 FEIALO O=C(c1cnc2ccccc2c1O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000218390597 206370824 /nfs/dbraw/zinc/37/08/24/206370824.db2.gz ASHWXUWEIZDQBY-UHFFFAOYSA-N 1 2 362.433 2.336 50 70 FEIALO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000216989754 519687904 /nfs/dbraw/zinc/68/79/04/519687904.db2.gz WMLBJMPNTOEIIG-SFHVURJKSA-N 1 2 354.454 2.085 50 70 FEIALO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000216989754 519687906 /nfs/dbraw/zinc/68/79/06/519687906.db2.gz WMLBJMPNTOEIIG-SFHVURJKSA-N 1 2 354.454 2.085 50 70 FEIALO CC(C)S(=O)(=O)CCC[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000160661298 546060175 /nfs/dbraw/zinc/06/01/75/546060175.db2.gz WMWLSJBFLNTBTQ-UHFFFAOYSA-N 1 2 368.528 2.027 50 70 FEIALO CC[NH+](CC)Cc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)c(-c2ccccc2)o1 ZINC000217168623 548680263 /nfs/dbraw/zinc/68/02/63/548680263.db2.gz DRNURXXZPGQCHK-UHFFFAOYSA-N 1 2 369.425 2.130 50 70 FEIALO Cc1c(C[N@@H+]2CCn3nc([C@@H](O)CO)cc3C2)[nH]c2ccc(Cl)cc12 ZINC000217177448 206362220 /nfs/dbraw/zinc/36/22/20/206362220.db2.gz KCOZMMCOCPCSED-SFHVURJKSA-N 1 2 360.845 2.368 50 70 FEIALO Cc1c(C[N@H+]2CCn3nc([C@@H](O)CO)cc3C2)[nH]c2ccc(Cl)cc12 ZINC000217177448 206362223 /nfs/dbraw/zinc/36/22/23/206362223.db2.gz KCOZMMCOCPCSED-SFHVURJKSA-N 1 2 360.845 2.368 50 70 FEIALO Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCc2c[nH+]c[nH]2)n1 ZINC000218402319 524592922 /nfs/dbraw/zinc/59/29/22/524592922.db2.gz XZZRUJSOGDHHEH-SFHVURJKSA-N 1 2 364.453 2.199 50 70 FEIALO Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCc2c[nH]c[nH+]2)n1 ZINC000218402319 524592931 /nfs/dbraw/zinc/59/29/31/524592931.db2.gz XZZRUJSOGDHHEH-SFHVURJKSA-N 1 2 364.453 2.199 50 70 FEIALO Cc1ccc(-c2ccccc2C[N@@H+]2CCn3nc([C@@H](O)CO)cc3C2)o1 ZINC000218047503 525756290 /nfs/dbraw/zinc/75/62/90/525756290.db2.gz IZADFZGUMMHEJZ-IBGZPJMESA-N 1 2 353.422 2.493 50 70 FEIALO Cc1ccc(-c2ccccc2C[N@H+]2CCn3nc([C@@H](O)CO)cc3C2)o1 ZINC000218047503 525756303 /nfs/dbraw/zinc/75/63/03/525756303.db2.gz IZADFZGUMMHEJZ-IBGZPJMESA-N 1 2 353.422 2.493 50 70 FEIALO O=C(C[N@@H+]1CCOc2ccccc2C1)NCCc1noc(C2CCCC2)n1 ZINC000216971843 526796763 /nfs/dbraw/zinc/79/67/63/526796763.db2.gz CPJHMTQBRWYUQZ-UHFFFAOYSA-N 1 2 370.453 2.281 50 70 FEIALO O=C(C[N@H+]1CCOc2ccccc2C1)NCCc1noc(C2CCCC2)n1 ZINC000216971843 526796765 /nfs/dbraw/zinc/79/67/65/526796765.db2.gz CPJHMTQBRWYUQZ-UHFFFAOYSA-N 1 2 370.453 2.281 50 70 FEIALO COC[C@@H]1[C@H](NC(=O)CCc2[nH]c3ccc(C)c(C)c3[nH+]2)[C@@H]2CCO[C@H]12 ZINC000218694381 206373221 /nfs/dbraw/zinc/37/32/21/206373221.db2.gz RZIORMCJFXXMHX-SMHQJORMSA-N 1 2 357.454 2.278 50 70 FEIALO CCCCc1nc(Cl)c(C[N@@H+]2CCCn3nc([C@@H](O)CO)cc3C2)[nH]1 ZINC000217927194 521297240 /nfs/dbraw/zinc/29/72/40/521297240.db2.gz YGHVPWVFOYSZLH-HNNXBMFYSA-N 1 2 367.881 2.034 50 70 FEIALO CCCCc1nc(Cl)c(C[N@H+]2CCCn3nc([C@@H](O)CO)cc3C2)[nH]1 ZINC000217927194 521297250 /nfs/dbraw/zinc/29/72/50/521297250.db2.gz YGHVPWVFOYSZLH-HNNXBMFYSA-N 1 2 367.881 2.034 50 70 FEIALO Cc1ccc(Cl)c(OCC[N@@H+]2CCCn3nc([C@H](O)CO)cc3C2)c1 ZINC000217396217 524714774 /nfs/dbraw/zinc/71/47/74/524714774.db2.gz LZKOUDAVMHQPHE-QGZVFWFLSA-N 1 2 365.861 2.155 50 70 FEIALO Cc1ccc(Cl)c(OCC[N@H+]2CCCn3nc([C@H](O)CO)cc3C2)c1 ZINC000217396217 524714785 /nfs/dbraw/zinc/71/47/85/524714785.db2.gz LZKOUDAVMHQPHE-QGZVFWFLSA-N 1 2 365.861 2.155 50 70 FEIALO O=C(c1cnc2ccccc2c1O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000218301062 526876094 /nfs/dbraw/zinc/87/60/94/526876094.db2.gz ANEAZJKUONXIIQ-UHFFFAOYSA-N 1 2 362.433 2.336 50 70 FEIALO COc1cc[nH+]c(CN2CCn3nc([C@@H](O)c4ccccc4)cc3C2)c1 ZINC000217143082 548680679 /nfs/dbraw/zinc/68/06/79/548680679.db2.gz QCVSOLALGVQNET-FQEVSTJZSA-N 1 2 350.422 2.384 50 70 FEIALO Cc1c(C[N@@H+]2CCn3nc([C@H](O)CO)cc3C2)[nH]c2ccc(Cl)cc12 ZINC000217177458 206362976 /nfs/dbraw/zinc/36/29/76/206362976.db2.gz KCOZMMCOCPCSED-GOSISDBHSA-N 1 2 360.845 2.368 50 70 FEIALO Cc1c(C[N@H+]2CCn3nc([C@H](O)CO)cc3C2)[nH]c2ccc(Cl)cc12 ZINC000217177458 206362980 /nfs/dbraw/zinc/36/29/80/206362980.db2.gz KCOZMMCOCPCSED-GOSISDBHSA-N 1 2 360.845 2.368 50 70 FEIALO CCc1[nH+]c(C)ccc1OCC(=O)N1CCCn2nc([C@@H](C)O)cc2C1 ZINC000216955412 522239645 /nfs/dbraw/zinc/23/96/45/522239645.db2.gz GUHQDDGCFIOVTB-CQSZACIVSA-N 1 2 358.442 2.014 50 70 FEIALO CN(Cc1cc(-c2ccncc2)no1)C(=O)C[N@H+](C)Cc1cccnc1 ZINC000218067600 522422930 /nfs/dbraw/zinc/42/29/30/522422930.db2.gz LSXZBEISHAERKW-UHFFFAOYSA-N 1 2 351.410 2.222 50 70 FEIALO CN(Cc1cc(-c2ccncc2)no1)C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000218067600 522422939 /nfs/dbraw/zinc/42/29/39/522422939.db2.gz LSXZBEISHAERKW-UHFFFAOYSA-N 1 2 351.410 2.222 50 70 FEIALO CC(C)c1noc([C@H]2CCCN(C(=O)C[N@H+](C)Cc3ccccn3)C2)n1 ZINC000218100045 548685441 /nfs/dbraw/zinc/68/54/41/548685441.db2.gz OXBDSPVWDSDVEH-HNNXBMFYSA-N 1 2 357.458 2.426 50 70 FEIALO CC(C)c1noc([C@H]2CCCN(C(=O)C[N@@H+](C)Cc3ccccn3)C2)n1 ZINC000218100045 548685445 /nfs/dbraw/zinc/68/54/45/548685445.db2.gz OXBDSPVWDSDVEH-HNNXBMFYSA-N 1 2 357.458 2.426 50 70 FEIALO CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1csc(C[NH+](C)C)n1 ZINC000218651988 548689336 /nfs/dbraw/zinc/68/93/36/548689336.db2.gz PJIQWNLTYZHKMK-UKRRQHHQSA-N 1 2 353.488 2.075 50 70 FEIALO C[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1cc(C(N)=O)oc1C(C)(C)C)C2 ZINC000217006810 548680376 /nfs/dbraw/zinc/68/03/76/548680376.db2.gz ZJWPNXXMNJYVSB-GFCCVEGCSA-N 1 2 360.458 2.332 50 70 FEIALO C[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cc(C(N)=O)oc1C(C)(C)C)C2 ZINC000217006810 548680382 /nfs/dbraw/zinc/68/03/82/548680382.db2.gz ZJWPNXXMNJYVSB-GFCCVEGCSA-N 1 2 360.458 2.332 50 70 FEIALO CC[C@@H](O)c1cc2n(n1)CCC[N@H+](CCn1c(=O)oc3ccccc31)C2 ZINC000216926982 548678927 /nfs/dbraw/zinc/67/89/27/548678927.db2.gz RAXUTHQXMQRYDC-QGZVFWFLSA-N 1 2 356.426 2.140 50 70 FEIALO CC[C@@H](O)c1cc2n(n1)CCC[N@@H+](CCn1c(=O)oc3ccccc31)C2 ZINC000216926982 548678928 /nfs/dbraw/zinc/67/89/28/548678928.db2.gz RAXUTHQXMQRYDC-QGZVFWFLSA-N 1 2 356.426 2.140 50 70 FEIALO Cc1cccc(Cl)c1OCC[N@@H+]1CCCn2nc([C@H](O)CO)cc2C1 ZINC000217214492 524489022 /nfs/dbraw/zinc/48/90/22/524489022.db2.gz FKEZECVGEBMCKM-QGZVFWFLSA-N 1 2 365.861 2.155 50 70 FEIALO Cc1cccc(Cl)c1OCC[N@H+]1CCCn2nc([C@H](O)CO)cc2C1 ZINC000217214492 524489024 /nfs/dbraw/zinc/48/90/24/524489024.db2.gz FKEZECVGEBMCKM-QGZVFWFLSA-N 1 2 365.861 2.155 50 70 FEIALO Cc1[nH+]c2ccccc2n1CCC(=O)NCCc1noc([C@H]2CCCO2)n1 ZINC000217205097 527165514 /nfs/dbraw/zinc/16/55/14/527165514.db2.gz NJYKSGMGYBXVCU-MRXNPFEDSA-N 1 2 369.425 2.328 50 70 FEIALO COCCNc1[nH+]c2cc(C(=O)NCc3cc(C4CC4)on3)ccc2n1C ZINC000218404498 523966865 /nfs/dbraw/zinc/96/68/65/523966865.db2.gz QGHTYEZVUDHYQD-UHFFFAOYSA-N 1 2 369.425 2.427 50 70 FEIALO OCc1ccc(C[N@@H+]2CCCn3nc([C@H](O)c4ccccc4)cc3C2)o1 ZINC000217173200 548680491 /nfs/dbraw/zinc/68/04/91/548680491.db2.gz NKGLFHIRAPUFPC-HXUWFJFHSA-N 1 2 353.422 2.456 50 70 FEIALO OCc1ccc(C[N@H+]2CCCn3nc([C@H](O)c4ccccc4)cc3C2)o1 ZINC000217173200 548680495 /nfs/dbraw/zinc/68/04/95/548680495.db2.gz NKGLFHIRAPUFPC-HXUWFJFHSA-N 1 2 353.422 2.456 50 70 FEIALO CC(C)c1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)nc(N)n1 ZINC000217043089 548679959 /nfs/dbraw/zinc/67/99/59/548679959.db2.gz OVEMRVMECDOGIL-UHFFFAOYSA-N 1 2 369.469 2.019 50 70 FEIALO CC(=O)c1c(C)nn(CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1C ZINC000218090641 518238172 /nfs/dbraw/zinc/23/81/72/518238172.db2.gz RKKNVZHSNCXYHK-LJQANCHMSA-N 1 2 365.437 2.342 50 70 FEIALO Cc1[nH]c2ccc(CC(=O)N3CCCn4nc([C@H](C)O)cc4C3)cc2[nH+]1 ZINC000217182278 548679825 /nfs/dbraw/zinc/67/98/25/548679825.db2.gz NTSLOYKTYZHERM-LBPRGKRZSA-N 1 2 353.426 2.096 50 70 FEIALO Cc1[nH]c2cc(CC(=O)N3CCCn4nc([C@H](C)O)cc4C3)ccc2[nH+]1 ZINC000217182278 548679827 /nfs/dbraw/zinc/67/98/27/548679827.db2.gz NTSLOYKTYZHERM-LBPRGKRZSA-N 1 2 353.426 2.096 50 70 FEIALO O=C(c1ccccc1N1CCOCC1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000218680337 132273216 /nfs/dbraw/zinc/27/32/16/132273216.db2.gz UHNUXSAVRFMKMJ-KRWDZBQOSA-N 1 2 354.454 2.272 50 70 FEIALO Cc1[nH]c2ccc(CC(=O)N3CCCn4nc([C@@H](C)O)cc4C3)cc2[nH+]1 ZINC000217182273 548680469 /nfs/dbraw/zinc/68/04/69/548680469.db2.gz NTSLOYKTYZHERM-GFCCVEGCSA-N 1 2 353.426 2.096 50 70 FEIALO Cc1[nH]c2cc(CC(=O)N3CCCn4nc([C@@H](C)O)cc4C3)ccc2[nH+]1 ZINC000217182273 548680475 /nfs/dbraw/zinc/68/04/75/548680475.db2.gz NTSLOYKTYZHERM-GFCCVEGCSA-N 1 2 353.426 2.096 50 70 FEIALO CCc1c(C)nn(CC(=O)NC[C@@H]2CCCN(c3cccc[nH+]3)C2)c1C ZINC000218140489 523715303 /nfs/dbraw/zinc/71/53/03/523715303.db2.gz GHZUIFGAPVWLPZ-KRWDZBQOSA-N 1 2 355.486 2.490 50 70 FEIALO CC(C)(C)c1cc(C(=O)NC[C@H]2CCCN(c3cccc[nH+]3)C2)[nH]c(=O)n1 ZINC000218744441 132273255 /nfs/dbraw/zinc/27/32/55/132273255.db2.gz BODCOUPYYJXNLL-CQSZACIVSA-N 1 2 369.469 2.109 50 70 FEIALO CC(=O)c1c(C)nn(CC(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1C ZINC000217635491 548682385 /nfs/dbraw/zinc/68/23/85/548682385.db2.gz ZIENVXZRTFLPIM-GOSISDBHSA-N 1 2 354.454 2.218 50 70 FEIALO CC(=O)c1c(C)nn(CC(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1C ZINC000217635491 548682388 /nfs/dbraw/zinc/68/23/88/548682388.db2.gz ZIENVXZRTFLPIM-GOSISDBHSA-N 1 2 354.454 2.218 50 70 FEIALO Cc1nc(C[N@@H+]2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)cc(=O)[nH]1 ZINC000218375156 548686451 /nfs/dbraw/zinc/68/64/51/548686451.db2.gz POYBVHVWYXOXJV-FQEVSTJZSA-N 1 2 365.437 2.175 50 70 FEIALO Cc1nc(C[N@H+]2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)cc(=O)[nH]1 ZINC000218375156 548686456 /nfs/dbraw/zinc/68/64/56/548686456.db2.gz POYBVHVWYXOXJV-FQEVSTJZSA-N 1 2 365.437 2.175 50 70 FEIALO CCCCc1nc(Cl)c(C[N@@H+]2CCCn3nc([C@H](O)CO)cc3C2)[nH]1 ZINC000217927271 521298709 /nfs/dbraw/zinc/29/87/09/521298709.db2.gz YGHVPWVFOYSZLH-OAHLLOKOSA-N 1 2 367.881 2.034 50 70 FEIALO CCCCc1nc(Cl)c(C[N@H+]2CCCn3nc([C@H](O)CO)cc3C2)[nH]1 ZINC000217927271 521298718 /nfs/dbraw/zinc/29/87/18/521298718.db2.gz YGHVPWVFOYSZLH-OAHLLOKOSA-N 1 2 367.881 2.034 50 70 FEIALO Cn1c(C[NH+](C)C)nnc1[C@H]1C[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC000218165799 548685165 /nfs/dbraw/zinc/68/51/65/548685165.db2.gz SAZLWQLPQRMYJZ-JOCQHMNTSA-N 1 2 353.426 2.299 50 70 FEIALO Cc1ccccc1CSCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000217038909 525181283 /nfs/dbraw/zinc/18/12/83/525181283.db2.gz CHZKCGNFCPMJDG-UHFFFAOYSA-N 1 2 358.511 2.306 50 70 FEIALO CCn1cc[nH+]c1CN(C)C(=O)C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000218646728 548688928 /nfs/dbraw/zinc/68/89/28/548688928.db2.gz ILWQYBSLHINTQT-UHFFFAOYSA-N 1 2 368.481 2.343 50 70 FEIALO CCNS(=O)(=O)c1ccc2c(c1)N(Cc1c[nH+]c3ccccn13)CC2 ZINC000160613404 326971598 /nfs/dbraw/zinc/97/15/98/326971598.db2.gz BAHUUMKZEUOYFV-UHFFFAOYSA-N 1 2 356.451 2.195 50 70 FEIALO O=C(CC1=CSC2=[NH+]CCCN12)NCCc1noc(-c2ccccc2)n1 ZINC000217940624 526340119 /nfs/dbraw/zinc/34/01/19/526340119.db2.gz NUCKWDYVVAUMRN-UHFFFAOYSA-N 1 2 369.450 2.435 50 70 FEIALO CN(Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)o1)S(C)(=O)=O ZINC000217102217 548679717 /nfs/dbraw/zinc/67/97/17/548679717.db2.gz AMODMDVBWZSMKO-GOSISDBHSA-N 1 2 364.467 2.245 50 70 FEIALO CN(Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)o1)S(C)(=O)=O ZINC000217102217 548679722 /nfs/dbraw/zinc/67/97/22/548679722.db2.gz AMODMDVBWZSMKO-GOSISDBHSA-N 1 2 364.467 2.245 50 70 FEIALO O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1ccc2[nH+]ccn2c1 ZINC000218013746 548683141 /nfs/dbraw/zinc/68/31/41/548683141.db2.gz XVRBREGUNXCCKA-SJORKVTESA-N 1 2 355.369 2.440 50 70 FEIALO Cn1cc[nH+]c1[C@H](NC(=O)CCN1CCCCCC1=O)c1ccccc1 ZINC000217362032 527463031 /nfs/dbraw/zinc/46/30/31/527463031.db2.gz LKRUVLDUYVWEGO-LJQANCHMSA-N 1 2 354.454 2.418 50 70 FEIALO Cc1cc(C)c2[nH]c(C[N@@H+]3CCCn4nc(CO)cc4C3)cc(=O)c2c1 ZINC000217681666 548681969 /nfs/dbraw/zinc/68/19/69/548681969.db2.gz BYIATZJABHPAIT-UHFFFAOYSA-N 1 2 352.438 2.240 50 70 FEIALO Cc1cc(C)c2[nH]c(C[N@H+]3CCCn4nc(CO)cc4C3)cc(=O)c2c1 ZINC000217681666 548681975 /nfs/dbraw/zinc/68/19/75/548681975.db2.gz BYIATZJABHPAIT-UHFFFAOYSA-N 1 2 352.438 2.240 50 70 FEIALO CN(C)S(=O)(=O)c1ccc2c(c1)N(Cc1c[nH+]c3ccccn13)CC2 ZINC000160462513 546043046 /nfs/dbraw/zinc/04/30/46/546043046.db2.gz QSLYWFSKOQWIBQ-UHFFFAOYSA-N 1 2 356.451 2.147 50 70 FEIALO Cn1nccc1[C@@H](O)c1cc2n(n1)CC[N@H+](Cc1cccc3cc[nH]c31)C2 ZINC000218228442 527624017 /nfs/dbraw/zinc/62/40/17/527624017.db2.gz SBGKIXWOZJEHCY-FQEVSTJZSA-N 1 2 362.437 2.195 50 70 FEIALO Cn1nccc1[C@@H](O)c1cc2n(n1)CC[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC000218228442 527624022 /nfs/dbraw/zinc/62/40/22/527624022.db2.gz SBGKIXWOZJEHCY-FQEVSTJZSA-N 1 2 362.437 2.195 50 70 FEIALO C[C@@H](O)c1cc2n(n1)CC[N@@H+](C1CCN(C(=O)c3ccccc3)CC1)C2 ZINC000216953131 548678857 /nfs/dbraw/zinc/67/88/57/548678857.db2.gz UGHBDISAKDHYJP-OAHLLOKOSA-N 1 2 354.454 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/nfs/dbraw/zinc/68/68/87/548686887.db2.gz POYBVHVWYXOXJV-HXUWFJFHSA-N 1 2 365.437 2.175 50 70 FEIALO Cc1nc(C[N@H+]2CCCn3nc([C@H](O)c4ccccc4)cc3C2)cc(=O)[nH]1 ZINC000218375235 548686890 /nfs/dbraw/zinc/68/68/90/548686890.db2.gz POYBVHVWYXOXJV-HXUWFJFHSA-N 1 2 365.437 2.175 50 70 FEIALO CN1C(=O)C[C@H](CNC(=O)CC2=CSC3=[NH+]CCCN23)c2ccccc21 ZINC000217478280 523709909 /nfs/dbraw/zinc/70/99/09/523709909.db2.gz CZVBVBXFQDGBPT-CYBMUJFWSA-N 1 2 370.478 2.293 50 70 FEIALO Cn1cnc2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cnc21 ZINC000159843020 545984772 /nfs/dbraw/zinc/98/47/72/545984772.db2.gz LOMFPZDBXOZRNR-VMPITWQZSA-N 1 2 361.449 2.440 50 70 FEIALO OCc1ccc(C[N@@H+]2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)o1 ZINC000217173193 548680705 /nfs/dbraw/zinc/68/07/05/548680705.db2.gz NKGLFHIRAPUFPC-FQEVSTJZSA-N 1 2 353.422 2.456 50 70 FEIALO OCc1ccc(C[N@H+]2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)o1 ZINC000217173193 548680707 /nfs/dbraw/zinc/68/07/07/548680707.db2.gz NKGLFHIRAPUFPC-FQEVSTJZSA-N 1 2 353.422 2.456 50 70 FEIALO Cc1[nH]c2ccc(CC(=O)N[C@H](c3ccccn3)[C@H]3C[C@@H](O)C3)cc2[nH+]1 ZINC000218756959 548689962 /nfs/dbraw/zinc/68/99/62/548689962.db2.gz NVIKRSBHOOUIGF-AVYPCKFXSA-N 1 2 350.422 2.437 50 70 FEIALO Cc1[nH]c2cc(CC(=O)N[C@H](c3ccccn3)[C@H]3C[C@@H](O)C3)ccc2[nH+]1 ZINC000218756959 548689968 /nfs/dbraw/zinc/68/99/68/548689968.db2.gz NVIKRSBHOOUIGF-AVYPCKFXSA-N 1 2 350.422 2.437 50 70 FEIALO C[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1cc(C(N)=O)oc1C(C)(C)C)C2 ZINC000217006819 548679700 /nfs/dbraw/zinc/67/97/00/548679700.db2.gz ZJWPNXXMNJYVSB-LBPRGKRZSA-N 1 2 360.458 2.332 50 70 FEIALO C[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cc(C(N)=O)oc1C(C)(C)C)C2 ZINC000217006819 548679703 /nfs/dbraw/zinc/67/97/03/548679703.db2.gz ZJWPNXXMNJYVSB-LBPRGKRZSA-N 1 2 360.458 2.332 50 70 FEIALO Cn1nccc1[C@H](O)c1cc2n(n1)CC[N@H+](Cc1cccc3cc[nH]c31)C2 ZINC000218228512 548685922 /nfs/dbraw/zinc/68/59/22/548685922.db2.gz SBGKIXWOZJEHCY-HXUWFJFHSA-N 1 2 362.437 2.195 50 70 FEIALO Cn1nccc1[C@H](O)c1cc2n(n1)CC[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC000218228512 548685928 /nfs/dbraw/zinc/68/59/28/548685928.db2.gz SBGKIXWOZJEHCY-HXUWFJFHSA-N 1 2 362.437 2.195 50 70 FEIALO